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 2q7x_1_B DATA FIRST_RESID 2 DATA SEQUENCE RXPXITVIGG GTGSPVILXS LREXDVEIAA IVTVADXXXX XXXXXXXXXX DATA SEQUENCE XXXXGDLRNV LVAXSDXPXF YEXVFQYRFS EDAGAFAGHP LGNLIIAGLS DATA SEQUENCE EXQGSTYNAX QLLSXFFHTT GXIYPSSDHP LTLHAVFQDG TEVAGESHIV DATA SEQUENCE DHRGIIDNVY VTNALNDDTP LASRRVVQTI LESDXIVLGP GSLFTSILPN DATA SEQUENCE IVIXEIGRAL LETXAEIAYV CNIXTQRGET EHFTDSDHVE VLHRHLGRPF DATA SEQUENCE IDTVLVNIEX VPQEYXNSNR FDEYLVQVEH DFVGLCXQVS RVISSNFLRL DATA SEQUENCE ENGGAFHDGD LIVDELXRII QV 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.303 176.300 0.005 0.000 0.893 2 R CA 0.000 56.103 56.100 0.005 0.000 0.921 2 R CB 0.000 30.304 30.300 0.006 0.000 0.687 7 T N 5.021 119.591 114.554 0.027 0.000 2.771 7 T HA 0.547 4.897 4.350 -0.000 0.000 0.281 7 T C -0.242 174.475 174.700 0.028 0.000 0.982 7 T CA -0.513 61.609 62.100 0.037 0.000 0.978 7 T CB 2.035 70.930 68.868 0.045 0.000 0.930 7 T HN 0.219 nan 8.240 nan 0.000 0.447 8 V N 5.343 125.269 119.914 0.021 0.000 2.370 8 V HA 0.495 4.615 4.120 -0.000 0.000 0.283 8 V C -0.123 175.982 176.094 0.018 0.000 1.023 8 V CA -0.736 61.568 62.300 0.008 0.000 0.857 8 V CB 1.104 32.917 31.823 -0.017 0.000 0.985 8 V HN 0.792 nan 8.190 nan 0.000 0.443 9 I N 4.361 124.946 120.570 0.025 0.000 2.382 9 I HA 0.711 4.881 4.170 -0.000 0.000 0.286 9 I C 0.720 176.853 176.117 0.026 0.000 1.002 9 I CA -0.284 61.034 61.300 0.031 0.000 1.135 9 I CB 1.483 39.510 38.000 0.044 0.000 1.288 9 I HN 0.878 nan 8.210 nan 0.000 0.448 10 G N 3.959 112.768 108.800 0.015 0.000 2.819 10 G HA2 0.282 4.242 3.960 -0.000 0.000 0.682 10 G HA3 0.282 4.242 3.960 -0.000 0.000 0.682 10 G C -0.277 174.619 174.900 -0.006 0.000 1.481 10 G CA -0.439 44.667 45.100 0.011 0.000 0.904 10 G HN 1.378 nan 8.290 nan 0.000 0.563 11 G N -1.098 107.696 108.800 -0.009 0.000 2.352 11 G HA2 0.738 4.698 3.960 -0.000 0.000 0.303 11 G HA3 0.738 4.698 3.960 -0.000 0.000 0.303 11 G C 0.343 175.230 174.900 -0.023 0.000 1.593 11 G CA 0.872 45.953 45.100 -0.032 0.000 0.963 11 G HN 2.182 nan 8.290 nan 0.000 0.685 12 G N -1.143 107.643 108.800 -0.023 0.000 2.851 12 G HA2 0.689 4.649 3.960 -0.000 0.000 0.208 12 G HA3 0.689 4.649 3.960 -0.000 0.000 0.208 12 G C 1.254 176.139 174.900 -0.025 0.000 1.894 12 G CA 1.401 46.501 45.100 -0.001 0.000 0.732 12 G HN 1.698 nan 8.290 nan 0.000 0.802 13 T N -1.358 113.192 114.554 -0.006 0.000 3.014 13 T HA 0.511 4.861 4.350 -0.000 0.000 0.250 13 T C 1.570 176.197 174.700 -0.121 0.000 1.060 13 T CA 1.424 63.486 62.100 -0.064 0.000 1.040 13 T CB -0.010 68.831 68.868 -0.046 0.000 0.971 13 T HN 1.970 nan 8.240 nan 0.000 0.497 14 G N 0.359 109.128 108.800 -0.051 0.000 2.846 14 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.225 14 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.225 14 G C 1.184 176.017 174.900 -0.112 0.000 1.285 14 G CA 0.607 45.679 45.100 -0.046 0.000 1.055 14 G HN 0.404 nan 8.290 nan 0.000 0.579 15 S N 2.387 118.024 115.700 -0.107 0.000 2.423 15 S HA 0.049 4.519 4.470 -0.000 0.000 0.231 15 S C -0.269 174.270 174.600 -0.101 0.000 1.014 15 S CA 2.129 60.264 58.200 -0.108 0.000 0.965 15 S CB -0.705 62.442 63.200 -0.089 0.000 0.785 15 S HN 0.447 nan 8.310 nan 0.000 0.495 16 P HA -0.058 nan 4.420 nan 0.000 0.216 16 P C 1.493 178.739 177.300 -0.090 0.000 1.150 16 P CA 0.791 63.827 63.100 -0.106 0.000 0.837 16 P CB -0.109 31.516 31.700 -0.125 0.000 0.786 17 V N -0.820 119.041 119.914 -0.089 0.000 2.295 17 V HA -0.224 3.895 4.120 -0.000 0.000 0.246 17 V C 2.270 178.332 176.094 -0.053 0.000 1.049 17 V CA 1.639 63.901 62.300 -0.063 0.000 1.024 17 V CB -1.091 30.707 31.823 -0.042 0.000 0.648 17 V HN -0.004 nan 8.190 nan 0.000 0.447 18 I N -0.648 119.877 120.570 -0.074 0.000 2.179 18 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 18 I C 1.369 177.449 176.117 -0.062 0.000 1.088 18 I CA 0.803 62.056 61.300 -0.077 0.000 1.357 18 I CB -0.620 37.313 38.000 -0.112 0.000 1.051 18 I HN 0.142 nan 8.210 nan 0.000 0.409 22 L N 1.993 123.203 121.223 -0.023 0.000 2.079 22 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 22 L C 2.481 179.342 176.870 -0.015 0.000 1.081 22 L CA 1.395 56.223 54.840 -0.020 0.000 0.752 22 L CB -0.333 41.710 42.059 -0.027 0.000 0.896 22 L HN 0.265 nan 8.230 nan 0.000 0.433 23 R N -0.256 120.234 120.500 -0.017 0.000 2.152 23 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 23 R C 0.789 177.084 176.300 -0.007 0.000 1.117 23 R CA 0.512 56.605 56.100 -0.012 0.000 0.981 23 R CB -0.118 30.174 30.300 -0.014 0.000 0.870 23 R HN 0.483 nan 8.270 nan 0.000 0.451 27 V N -0.969 118.944 119.914 -0.000 0.000 2.971 27 V HA 0.728 4.847 4.120 -0.000 0.000 0.309 27 V C -0.412 175.683 176.094 0.001 0.000 1.130 27 V CA -0.909 61.392 62.300 0.001 0.000 0.964 27 V CB 2.121 33.943 31.823 -0.001 0.000 1.029 27 V HN 0.151 nan 8.190 nan 0.000 0.427 28 E N 3.436 123.638 120.200 0.004 0.000 2.229 28 E HA 0.592 4.942 4.350 -0.000 0.000 0.283 28 E C -0.915 175.689 176.600 0.007 0.000 1.030 28 E CA -0.310 56.094 56.400 0.006 0.000 0.836 28 E CB 1.831 31.538 29.700 0.012 0.000 1.068 28 E HN 0.656 nan 8.360 nan 0.000 0.401 29 I N 2.347 122.918 120.570 0.001 0.000 2.377 29 I HA 0.467 4.637 4.170 -0.000 0.000 0.293 29 I C -0.151 175.967 176.117 0.003 0.000 0.987 29 I CA -0.732 60.568 61.300 -0.001 0.000 1.185 29 I CB 1.671 39.661 38.000 -0.016 0.000 1.341 29 I HN 0.463 nan 8.210 nan 0.000 0.455 30 A N 4.912 127.750 122.820 0.029 0.000 2.350 30 A HA 0.923 5.243 4.320 -0.000 0.000 0.324 30 A C -0.661 176.950 177.584 0.046 0.000 1.118 30 A CA -0.575 51.497 52.037 0.058 0.000 0.783 30 A CB 1.483 20.588 19.000 0.175 0.000 1.236 30 A HN 0.797 nan 8.150 nan 0.000 0.457 31 A N 2.123 124.956 122.820 0.023 0.000 2.343 31 A HA 0.742 5.062 4.320 -0.000 0.000 0.316 31 A C -0.784 176.837 177.584 0.063 0.000 1.104 31 A CA -0.355 51.690 52.037 0.013 0.000 0.768 31 A CB 0.540 19.514 19.000 -0.043 0.000 1.213 31 A HN 0.728 nan 8.150 nan 0.000 0.456 32 I N 3.276 123.888 120.570 0.070 0.000 2.362 32 I HA 0.496 4.666 4.170 -0.000 0.000 0.289 32 I C -0.262 175.880 176.117 0.041 0.000 0.994 32 I CA -0.857 60.496 61.300 0.088 0.000 1.158 32 I CB 1.827 39.877 38.000 0.083 0.000 1.315 32 I HN 0.550 nan 8.210 nan 0.000 0.451 33 V N 1.634 121.568 119.914 0.033 0.000 2.864 33 V HA 0.621 4.741 4.120 -0.000 0.000 0.314 33 V C -0.118 175.997 176.094 0.035 0.000 1.073 33 V CA -0.442 61.868 62.300 0.016 0.000 0.956 33 V CB 1.820 33.635 31.823 -0.013 0.000 1.023 33 V HN 0.615 nan 8.190 nan 0.000 0.435 34 T N 2.909 117.485 114.554 0.037 0.000 2.806 34 T HA 0.587 4.937 4.350 -0.000 0.000 0.290 34 T C -0.289 174.450 174.700 0.066 0.000 0.966 34 T CA -0.149 61.986 62.100 0.058 0.000 1.060 34 T CB 1.147 70.044 68.868 0.048 0.000 0.927 34 T HN 0.741 nan 8.240 nan 0.000 0.485 35 V N 3.361 123.343 119.914 0.113 0.000 2.334 35 V HA 0.659 4.779 4.120 -0.000 0.000 0.281 35 V C 0.510 176.686 176.094 0.137 0.000 1.016 35 V CA -0.992 61.391 62.300 0.138 0.000 0.832 35 V CB 0.861 32.814 31.823 0.218 0.000 0.999 35 V HN 1.077 nan 8.190 nan 0.000 0.439 36 A N 4.334 127.203 122.820 0.083 0.000 2.240 36 A HA 0.564 4.884 4.320 -0.000 0.000 0.292 36 A C 0.520 178.137 177.584 0.056 0.000 1.121 36 A CA -0.502 51.566 52.037 0.052 0.000 0.851 36 A CB 0.117 19.125 19.000 0.014 0.000 1.167 36 A HN 0.984 nan 8.150 nan 0.000 0.503 57 D N 0.645 121.026 120.400 -0.032 0.000 2.144 57 D HA -0.009 4.631 4.640 -0.000 0.000 0.200 57 D C 2.467 178.722 176.300 -0.075 0.000 0.978 57 D CA 0.897 54.867 54.000 -0.049 0.000 0.833 57 D CB -0.019 40.766 40.800 -0.024 0.000 0.961 57 D HN 0.170 nan 8.370 nan 0.000 0.470 58 L N 1.007 122.195 121.223 -0.058 0.000 2.042 58 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 58 L C 2.186 178.970 176.870 -0.143 0.000 1.076 58 L CA 1.656 56.449 54.840 -0.079 0.000 0.749 58 L CB -0.355 41.682 42.059 -0.038 0.000 0.893 58 L HN -0.137 nan 8.230 nan 0.000 0.432 59 R N 0.069 120.483 120.500 -0.143 0.000 2.070 59 R HA -0.175 4.165 4.340 -0.000 0.000 0.233 59 R C 2.022 178.086 176.300 -0.393 0.000 1.137 59 R CA 1.992 57.932 56.100 -0.267 0.000 0.945 59 R CB -1.005 29.162 30.300 -0.221 0.000 0.845 59 R HN 0.475 nan 8.270 nan 0.000 0.430 60 N N 0.290 118.818 118.700 -0.287 0.000 2.166 60 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 60 N C 1.812 177.171 175.510 -0.251 0.000 1.019 60 N CA 1.262 54.151 53.050 -0.269 0.000 0.856 60 N CB -0.284 38.095 38.487 -0.181 0.000 0.993 60 N HN 0.059 nan 8.380 nan 0.000 0.426 61 V N 1.284 121.067 119.914 -0.219 0.000 2.379 61 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 61 V C 2.372 178.307 176.094 -0.264 0.000 1.044 61 V CA 0.947 63.130 62.300 -0.195 0.000 1.036 61 V CB -0.455 31.284 31.823 -0.140 0.000 0.664 61 V HN 0.225 nan 8.190 nan 0.000 0.453 62 L N -0.351 120.651 121.223 -0.368 0.000 1.989 62 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 62 L C 2.515 178.960 176.870 -0.708 0.000 1.071 62 L CA 1.550 56.045 54.840 -0.573 0.000 0.749 62 L CB -0.695 40.878 42.059 -0.810 0.000 0.890 62 L HN 0.193 nan 8.230 nan 0.000 0.431 63 V N -0.148 119.341 119.914 -0.708 0.000 2.343 63 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 63 V C 1.688 177.656 176.094 -0.210 0.000 1.051 63 V CA 1.161 63.194 62.300 -0.446 0.000 1.036 63 V CB -0.920 30.681 31.823 -0.369 0.000 0.654 63 V HN 0.446 nan 8.190 nan 0.000 0.451 72 Y N 2.063 122.403 120.300 0.067 0.000 2.242 72 Y HA 0.048 4.599 4.550 0.001 0.000 0.291 72 Y C 1.558 177.509 175.900 0.086 0.000 1.137 72 Y CA 1.572 59.699 58.100 0.045 0.000 1.181 72 Y CB -0.771 37.874 38.460 0.309 0.000 0.989 72 Y HN 0.184 nan 8.280 nan 0.000 0.527 76 F N 2.432 122.408 119.950 0.043 0.000 2.063 76 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 76 F C 2.403 178.254 175.800 0.086 0.000 1.105 76 F CA 3.004 61.073 58.000 0.114 0.000 1.215 76 F CB 0.056 39.140 39.000 0.140 0.000 0.972 76 F HN 0.447 nan 8.300 nan 0.000 0.483 77 Q N -1.226 118.745 119.800 0.284 0.000 2.319 77 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 77 Q C 0.050 176.116 176.000 0.110 0.000 0.896 77 Q CA -0.257 55.667 55.803 0.202 0.000 0.942 77 Q CB -0.601 28.255 28.738 0.196 0.000 1.083 77 Q HN 0.506 nan 8.270 nan 0.000 0.510 78 Y N 2.122 122.406 120.300 -0.027 0.000 2.511 78 Y HA 0.137 4.687 4.550 -0.000 0.000 0.332 78 Y C -0.454 175.393 175.900 -0.089 0.000 1.177 78 Y CA 0.004 58.057 58.100 -0.078 0.000 1.422 78 Y CB 0.596 38.968 38.460 -0.147 0.000 1.271 78 Y HN 0.013 nan 8.280 nan 0.000 0.550 79 R N 5.479 125.556 120.500 -0.705 0.000 2.514 79 R HA 0.291 4.631 4.340 -0.000 0.000 0.301 79 R C -1.107 174.757 176.300 -0.727 0.000 0.962 79 R CA -0.975 54.839 56.100 -0.476 0.000 0.882 79 R CB 1.155 31.324 30.300 -0.219 0.000 1.143 79 R HN 0.594 nan 8.270 nan 0.000 0.452 80 F N 1.218 121.022 119.950 -0.243 0.000 2.628 80 F HA -0.106 4.421 4.527 0.000 0.000 0.362 80 F C 1.614 177.353 175.800 -0.102 0.000 1.148 80 F CA 0.820 58.784 58.000 -0.059 0.000 1.352 80 F CB 0.460 39.537 39.000 0.129 0.000 1.081 80 F HN 0.490 nan 8.300 nan 0.000 0.605 81 S N 2.301 118.104 115.700 0.172 0.000 2.655 81 S HA 0.123 4.592 4.470 -0.000 0.000 0.265 81 S C 1.135 175.797 174.600 0.104 0.000 1.240 81 S CA -0.278 57.975 58.200 0.089 0.000 0.986 81 S CB 1.041 64.310 63.200 0.115 0.000 0.985 81 S HN 0.725 nan 8.310 nan 0.000 0.562 82 E N 0.387 120.621 120.200 0.057 0.000 2.333 82 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 82 E C 0.106 176.736 176.600 0.050 0.000 1.007 82 E CA 1.254 57.677 56.400 0.039 0.000 0.845 82 E CB -0.551 29.161 29.700 0.021 0.000 0.766 82 E HN 0.714 nan 8.360 nan 0.000 0.507 83 D N 0.866 121.313 120.400 0.079 0.000 2.339 83 D HA 0.132 4.772 4.640 -0.000 0.000 0.217 83 D C 0.742 177.107 176.300 0.109 0.000 1.050 83 D CA 0.602 54.650 54.000 0.079 0.000 0.856 83 D CB 0.503 41.352 40.800 0.083 0.000 0.922 83 D HN 0.291 nan 8.370 nan 0.000 0.518 84 A N 0.465 123.377 122.820 0.152 0.000 2.412 84 A HA 0.489 4.809 4.320 -0.000 0.000 0.253 84 A C 1.653 179.265 177.584 0.048 0.000 1.334 84 A CA 0.486 52.652 52.037 0.215 0.000 0.929 84 A CB -0.578 18.661 19.000 0.398 0.000 0.983 84 A HN 0.196 nan 8.150 nan 0.000 0.508 85 G N 0.465 109.247 108.800 -0.030 0.000 2.702 85 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.342 85 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.342 85 G C 1.608 176.358 174.900 -0.250 0.000 1.258 85 G CA 1.548 46.562 45.100 -0.144 0.000 0.990 85 G HN 1.517 nan 8.290 nan 0.000 0.548 86 A N -0.946 121.573 122.820 -0.502 0.000 2.019 86 A HA 0.320 4.640 4.320 -0.000 0.000 0.219 86 A C 2.096 179.429 177.584 -0.417 0.000 1.164 86 A CA 2.307 54.038 52.037 -0.510 0.000 0.644 86 A CB -0.429 18.185 19.000 -0.644 0.000 0.805 86 A HN 0.798 nan 8.150 nan 0.000 0.449 87 F N -0.018 119.860 119.950 -0.120 0.000 2.776 87 F HA 0.447 4.974 4.527 -0.000 0.000 0.300 87 F C 1.449 177.228 175.800 -0.035 0.000 1.116 87 F CA -0.584 57.312 58.000 -0.174 0.000 1.375 87 F CB -0.698 37.873 39.000 -0.715 0.000 1.109 87 F HN 0.131 nan 8.300 nan 0.000 0.585 88 A N 0.952 123.819 122.820 0.078 0.000 2.580 88 A HA 0.362 4.682 4.320 -0.000 0.000 0.244 88 A C 1.625 179.215 177.584 0.010 0.000 1.045 88 A CA 0.970 53.061 52.037 0.090 0.000 0.761 88 A CB -0.945 18.068 19.000 0.022 0.000 0.962 88 A HN 1.037 nan 8.150 nan 0.000 0.512 89 G N 1.695 110.526 108.800 0.050 0.000 2.213 89 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.236 89 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.236 89 G C 0.264 175.125 174.900 -0.065 0.000 0.991 89 G CA 0.328 45.392 45.100 -0.061 0.000 0.629 89 G HN 1.035 nan 8.290 nan 0.000 0.517 90 H N 2.065 121.224 119.070 0.147 0.000 2.610 90 H HA 0.385 4.941 4.556 -0.000 0.000 0.336 90 H C -2.193 173.233 175.328 0.164 0.000 1.087 90 H CA -1.037 55.099 56.048 0.146 0.000 1.405 90 H CB 1.325 31.182 29.762 0.158 0.000 1.460 90 H HN 0.204 nan 8.280 nan 0.000 0.538 91 P HA -0.011 nan 4.420 nan 0.000 0.278 91 P C 0.885 178.214 177.300 0.049 0.000 1.238 91 P CA -0.540 62.608 63.100 0.080 0.000 0.794 91 P CB 1.141 32.867 31.700 0.043 0.000 0.955 92 L N 3.049 124.262 121.223 -0.018 0.000 2.056 92 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 92 L C 2.338 179.077 176.870 -0.217 0.000 1.078 92 L CA 2.405 57.215 54.840 -0.051 0.000 0.749 92 L CB -1.526 40.490 42.059 -0.073 0.000 0.901 92 L HN 0.570 nan 8.230 nan 0.000 0.433 93 G N -1.477 107.008 108.800 -0.524 0.000 2.403 93 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 93 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 93 G C 1.452 175.807 174.900 -0.909 0.000 1.154 93 G CA 0.579 44.941 45.100 -1.230 0.000 0.784 93 G HN 0.368 nan 8.290 nan 0.000 0.538 94 N N 0.456 118.838 118.700 -0.529 0.000 2.188 94 N HA 0.005 4.745 4.740 -0.000 0.000 0.184 94 N C 2.224 177.676 175.510 -0.096 0.000 1.018 94 N CA 0.362 53.320 53.050 -0.153 0.000 0.858 94 N CB -0.353 38.131 38.487 -0.006 0.000 0.989 94 N HN 0.236 nan 8.380 nan 0.000 0.426 95 L N 0.552 121.715 121.223 -0.100 0.000 2.013 95 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 95 L C 2.033 178.849 176.870 -0.089 0.000 1.073 95 L CA 1.212 56.006 54.840 -0.076 0.000 0.753 95 L CB -0.392 41.650 42.059 -0.029 0.000 0.890 95 L HN 0.179 nan 8.230 nan 0.000 0.432 96 I N -0.347 120.149 120.570 -0.123 0.000 2.163 96 I HA -0.334 3.836 4.170 -0.000 0.000 0.240 96 I C 2.433 178.512 176.117 -0.063 0.000 1.081 96 I CA 1.445 62.668 61.300 -0.129 0.000 1.353 96 I CB -0.188 37.720 38.000 -0.154 0.000 1.054 96 I HN 0.174 nan 8.210 nan 0.000 0.407 97 I N 0.802 121.378 120.570 0.010 0.000 2.286 97 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 97 I C 2.703 178.848 176.117 0.046 0.000 1.115 97 I CA 1.323 62.681 61.300 0.096 0.000 1.392 97 I CB -0.450 37.671 38.000 0.202 0.000 1.065 97 I HN 0.209 nan 8.210 nan 0.000 0.418 98 A N 0.639 123.466 122.820 0.013 0.000 2.014 98 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 98 A C 2.378 179.954 177.584 -0.014 0.000 1.163 98 A CA 1.531 53.570 52.037 0.003 0.000 0.652 98 A CB -0.993 18.000 19.000 -0.011 0.000 0.808 98 A HN 0.449 nan 8.150 nan 0.000 0.449 99 G N -0.196 108.582 108.800 -0.037 0.000 2.396 99 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.214 99 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.214 99 G C 1.512 176.386 174.900 -0.043 0.000 1.166 99 G CA 0.792 45.864 45.100 -0.048 0.000 0.793 99 G HN 0.401 nan 8.290 nan 0.000 0.533 100 L N 0.852 122.047 121.223 -0.048 0.000 2.046 100 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 100 L C 3.160 180.029 176.870 -0.001 0.000 1.077 100 L CA 1.013 55.833 54.840 -0.035 0.000 0.747 100 L CB -0.477 41.558 42.059 -0.039 0.000 0.896 100 L HN 0.153 nan 8.230 nan 0.000 0.432 101 S N -0.701 115.008 115.700 0.015 0.000 2.359 101 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 101 S C 1.078 175.692 174.600 0.025 0.000 1.039 101 S CA 1.015 59.234 58.200 0.032 0.000 1.042 101 S CB -0.226 62.998 63.200 0.040 0.000 0.915 101 S HN 0.418 nan 8.310 nan 0.000 0.439 105 G N 1.784 110.606 108.800 0.037 0.000 2.284 105 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.230 105 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.230 105 G C 0.196 175.127 174.900 0.052 0.000 1.021 105 G CA 0.745 45.869 45.100 0.040 0.000 0.619 105 G HN 0.942 nan 8.290 nan 0.000 0.510 106 S N -2.140 113.602 115.700 0.070 0.000 2.587 106 S HA 0.630 5.100 4.470 -0.000 0.000 0.269 106 S C 0.575 175.235 174.600 0.101 0.000 1.154 106 S CA 0.764 59.017 58.200 0.089 0.000 0.824 106 S CB 1.172 64.442 63.200 0.117 0.000 1.118 106 S HN 0.550 nan 8.310 nan 0.000 0.462 107 T N 0.850 115.465 114.554 0.103 0.000 2.720 107 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 107 T C 1.322 176.087 174.700 0.109 0.000 1.037 107 T CA 2.163 64.321 62.100 0.096 0.000 1.144 107 T CB -0.739 68.184 68.868 0.091 0.000 0.864 107 T HN 0.609 nan 8.240 nan 0.000 0.444 108 Y N 2.444 122.768 120.300 0.040 0.000 2.128 108 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 108 Y C 2.288 178.210 175.900 0.036 0.000 1.154 108 Y CA 1.580 59.704 58.100 0.039 0.000 1.149 108 Y CB -0.410 38.078 38.460 0.047 0.000 0.976 108 Y HN 0.118 nan 8.280 nan 0.000 0.505 109 N N 0.547 119.398 118.700 0.251 0.000 2.521 109 N HA 0.071 4.811 4.740 -0.000 0.000 0.188 109 N C -0.093 175.452 175.510 0.059 0.000 1.146 109 N CA 0.599 53.742 53.050 0.156 0.000 0.893 109 N CB -0.207 38.369 38.487 0.149 0.000 0.975 109 N HN 0.404 nan 8.380 nan 0.000 0.451 113 L N 0.796 122.026 121.223 0.012 0.000 2.131 113 L HA 0.107 4.447 4.340 -0.000 0.000 0.206 113 L C 2.633 179.552 176.870 0.080 0.000 1.087 113 L CA 1.197 56.053 54.840 0.028 0.000 0.767 113 L CB -0.220 41.846 42.059 0.012 0.000 0.917 113 L HN 0.438 nan 8.230 nan 0.000 0.441 114 L N -0.659 120.630 121.223 0.110 0.000 2.013 114 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 114 L C 1.786 178.845 176.870 0.315 0.000 1.073 114 L CA 0.711 55.697 54.840 0.244 0.000 0.753 114 L CB -0.418 41.772 42.059 0.218 0.000 0.890 114 L HN 0.163 nan 8.230 nan 0.000 0.432 118 F N 2.138 121.868 119.950 -0.367 0.000 2.802 118 F HA 0.175 4.702 4.527 -0.000 0.000 0.300 118 F C 0.570 176.290 175.800 -0.133 0.000 1.168 118 F CA 1.195 58.855 58.000 -0.566 0.000 1.433 118 F CB -1.200 37.502 39.000 -0.498 0.000 1.115 118 F HN 0.163 nan 8.300 nan 0.000 0.582 119 H N -0.684 118.343 119.070 -0.072 0.000 2.626 119 H HA -0.182 4.374 4.556 0.000 0.000 0.317 119 H C 0.695 176.024 175.328 0.002 0.000 1.140 119 H CA 0.121 56.160 56.048 -0.015 0.000 1.134 119 H CB -2.250 27.513 29.762 0.001 0.000 1.486 119 H HN 0.271 nan 8.280 nan 0.000 0.417 120 T N -2.927 111.659 114.554 0.054 0.000 2.928 120 T HA 0.256 4.606 4.350 -0.000 0.000 0.305 120 T C 0.898 175.596 174.700 -0.004 0.000 1.035 120 T CA -0.004 62.104 62.100 0.012 0.000 1.145 120 T CB 1.895 70.741 68.868 -0.036 0.000 0.963 120 T HN 0.396 nan 8.240 nan 0.000 0.545 121 T N 1.868 116.417 114.554 -0.007 0.000 2.874 121 T HA 0.584 4.934 4.350 -0.000 0.000 0.281 121 T C 0.937 175.611 174.700 -0.043 0.000 0.994 121 T CA 0.934 63.025 62.100 -0.015 0.000 1.015 121 T CB -0.219 68.647 68.868 -0.004 0.000 1.028 121 T HN 1.709 nan 8.240 nan 0.000 0.523 125 Y N 6.275 126.542 120.300 -0.056 0.000 2.393 125 Y HA 0.563 5.113 4.550 0.000 0.000 0.341 125 Y C -2.272 173.588 175.900 -0.067 0.000 0.988 125 Y CA -2.637 55.426 58.100 -0.062 0.000 1.078 125 Y CB 1.393 39.829 38.460 -0.040 0.000 1.203 125 Y HN 0.232 nan 8.280 nan 0.000 0.453 126 P HA 0.042 nan 4.420 nan 0.000 0.271 126 P C 0.481 177.838 177.300 0.095 0.000 1.218 126 P CA -0.092 63.021 63.100 0.022 0.000 0.780 126 P CB 1.360 32.986 31.700 -0.123 0.000 0.901 127 S N 0.941 116.698 115.700 0.095 0.000 2.402 127 S HA -0.050 4.420 4.470 -0.000 0.000 0.229 127 S C 0.937 175.587 174.600 0.083 0.000 1.021 127 S CA 0.793 59.039 58.200 0.076 0.000 0.974 127 S CB -0.778 62.461 63.200 0.064 0.000 0.800 127 S HN 0.680 nan 8.310 nan 0.000 0.484 128 S N 1.156 116.941 115.700 0.142 0.000 2.638 128 S HA 0.467 4.937 4.470 -0.000 0.000 0.302 128 S C 0.191 174.887 174.600 0.160 0.000 1.096 128 S CA -0.260 58.014 58.200 0.123 0.000 0.953 128 S CB 1.744 65.012 63.200 0.113 0.000 1.107 128 S HN 0.305 nan 8.310 nan 0.000 0.503 129 D N -0.314 120.091 120.400 0.008 0.000 2.363 129 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 129 D C 0.089 175.973 176.300 -0.693 0.000 0.994 129 D CA 0.856 54.747 54.000 -0.182 0.000 0.890 129 D CB -0.311 40.352 40.800 -0.229 0.000 0.906 129 D HN 0.629 nan 8.370 nan 0.000 0.530 130 H N -0.815 118.098 119.070 -0.261 0.000 3.008 130 H HA 0.347 4.903 4.556 -0.000 0.000 0.354 130 H C -2.529 172.452 175.328 -0.578 0.000 1.252 130 H CA -1.561 54.104 56.048 -0.639 0.000 1.117 130 H CB 1.655 31.241 29.762 -0.293 0.000 1.857 130 H HN -0.086 nan 8.280 nan 0.000 0.547 131 P HA 0.135 nan 4.420 nan 0.000 0.268 131 P C -0.294 177.001 177.300 -0.008 0.000 1.205 131 P CA 0.056 63.099 63.100 -0.094 0.000 0.771 131 P CB 1.053 32.729 31.700 -0.040 0.000 0.858 132 L N 1.913 123.159 121.223 0.039 0.000 2.313 132 L HA 0.551 4.891 4.340 -0.000 0.000 0.268 132 L C 0.626 177.507 176.870 0.019 0.000 1.010 132 L CA -0.604 54.263 54.840 0.045 0.000 0.814 132 L CB 1.780 43.877 42.059 0.064 0.000 1.304 132 L HN 0.254 nan 8.230 nan 0.000 0.441 133 T N 2.102 116.665 114.554 0.015 0.000 2.807 133 T HA 0.443 4.793 4.350 -0.000 0.000 0.279 133 T C -0.637 173.974 174.700 -0.148 0.000 0.993 133 T CA -0.420 61.626 62.100 -0.090 0.000 0.970 133 T CB 1.747 70.541 68.868 -0.124 0.000 0.950 133 T HN 0.182 nan 8.240 nan 0.000 0.441 134 L N 4.448 125.542 121.223 -0.216 0.000 2.326 134 L HA 0.407 4.747 4.340 -0.000 0.000 0.278 134 L C -0.405 176.188 176.870 -0.462 0.000 1.092 134 L CA 0.052 54.771 54.840 -0.201 0.000 0.810 134 L CB 0.204 42.202 42.059 -0.101 0.000 1.153 134 L HN 0.645 nan 8.230 nan 0.000 0.439 135 H N 4.020 122.878 119.070 -0.352 0.000 2.637 135 H HA 0.755 5.311 4.556 -0.000 0.000 0.363 135 H C -1.038 174.089 175.328 -0.336 0.000 1.131 135 H CA -0.809 54.967 56.048 -0.455 0.000 1.183 135 H CB 1.895 31.046 29.762 -1.019 0.000 1.637 135 H HN 0.752 nan 8.280 nan 0.000 0.531 136 A N 2.678 125.461 122.820 -0.061 0.000 2.371 136 A HA 0.537 4.857 4.320 -0.000 0.000 0.311 136 A C -0.671 176.896 177.584 -0.029 0.000 1.068 136 A CA -0.650 51.319 52.037 -0.113 0.000 0.744 136 A CB 1.249 20.079 19.000 -0.283 0.000 1.239 136 A HN 0.375 nan 8.150 nan 0.000 0.435 137 V N 2.652 122.535 119.914 -0.053 0.000 2.394 137 V HA 0.467 4.587 4.120 -0.000 0.000 0.282 137 V C -0.561 175.434 176.094 -0.164 0.000 1.031 137 V CA -0.217 62.095 62.300 0.021 0.000 0.881 137 V CB 0.624 32.494 31.823 0.079 0.000 0.982 137 V HN 0.731 nan 8.190 nan 0.000 0.451 138 F N 1.767 121.695 119.950 -0.038 0.000 2.408 138 F HA 0.350 4.877 4.527 -0.000 0.000 0.325 138 F C 1.635 177.425 175.800 -0.017 0.000 1.082 138 F CA -0.289 57.689 58.000 -0.036 0.000 1.032 138 F CB 1.121 40.132 39.000 0.018 0.000 1.259 138 F HN 0.465 nan 8.300 nan 0.000 0.503 139 Q N 0.194 120.086 119.800 0.153 0.000 2.226 139 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 139 Q C 1.087 177.139 176.000 0.087 0.000 0.975 139 Q CA 1.464 57.313 55.803 0.076 0.000 0.866 139 Q CB -0.180 28.587 28.738 0.048 0.000 0.915 139 Q HN 0.643 nan 8.270 nan 0.000 0.440 140 D N -1.542 118.932 120.400 0.123 0.000 2.336 140 D HA 0.023 4.662 4.640 -0.000 0.000 0.229 140 D C 1.070 177.420 176.300 0.084 0.000 1.061 140 D CA 0.837 54.889 54.000 0.088 0.000 0.875 140 D CB 0.097 40.944 40.800 0.078 0.000 0.904 140 D HN 0.268 nan 8.370 nan 0.000 0.525 141 G N -0.538 108.323 108.800 0.103 0.000 2.175 141 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 141 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 141 G C 0.420 175.380 174.900 0.099 0.000 0.982 141 G CA 0.248 45.399 45.100 0.085 0.000 0.641 141 G HN 0.461 nan 8.290 nan 0.000 0.527 142 T N 1.960 116.591 114.554 0.129 0.000 2.916 142 T HA 0.449 4.799 4.350 -0.000 0.000 0.303 142 T C 0.033 174.809 174.700 0.127 0.000 1.025 142 T CA 0.245 62.395 62.100 0.083 0.000 1.142 142 T CB 1.582 70.468 68.868 0.031 0.000 0.947 142 T HN 0.252 nan 8.240 nan 0.000 0.544 143 E N 2.008 122.246 120.200 0.064 0.000 2.166 143 E HA 0.490 4.840 4.350 -0.000 0.000 0.275 143 E C -1.006 175.607 176.600 0.021 0.000 0.941 143 E CA -0.500 55.961 56.400 0.101 0.000 0.784 143 E CB 1.993 31.761 29.700 0.114 0.000 1.115 143 E HN 0.296 nan 8.360 nan 0.000 0.399 144 V N 1.747 121.700 119.914 0.065 0.000 2.638 144 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 144 V C -0.293 175.822 176.094 0.035 0.000 1.052 144 V CA -0.907 61.397 62.300 0.007 0.000 0.885 144 V CB 1.768 33.555 31.823 -0.061 0.000 0.999 144 V HN 0.746 nan 8.190 nan 0.000 0.424 145 A N 3.041 125.866 122.820 0.008 0.000 2.312 145 A HA 0.946 5.266 4.320 -0.000 0.000 0.326 145 A C 0.460 178.006 177.584 -0.064 0.000 1.172 145 A CA 0.062 52.005 52.037 -0.155 0.000 0.821 145 A CB 0.972 19.897 19.000 -0.125 0.000 1.166 145 A HN 2.315 nan 8.150 nan 0.000 0.493 146 G N 1.253 109.936 108.800 -0.195 0.000 3.190 146 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.686 146 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.686 146 G C 0.253 175.079 174.900 -0.122 0.000 1.033 146 G CA 0.238 45.245 45.100 -0.156 0.000 0.797 146 G HN 1.079 nan 8.290 nan 0.000 0.567 147 E N 0.816 120.947 120.200 -0.116 0.000 2.070 147 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 147 E C 2.643 179.219 176.600 -0.040 0.000 1.004 147 E CA 2.360 58.725 56.400 -0.058 0.000 0.805 147 E CB -0.079 29.596 29.700 -0.042 0.000 0.744 147 E HN 0.777 nan 8.360 nan 0.000 0.451 148 S N -0.437 115.193 115.700 -0.117 0.000 2.368 148 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 148 S C 1.736 176.336 174.600 0.000 0.000 1.029 148 S CA 1.391 59.540 58.200 -0.085 0.000 0.988 148 S CB -0.758 62.352 63.200 -0.150 0.000 0.838 148 S HN 0.479 nan 8.310 nan 0.000 0.462 149 H N 1.197 120.281 119.070 0.023 0.000 2.421 149 H HA 0.106 4.661 4.556 -0.000 0.000 0.298 149 H C 1.974 177.346 175.328 0.073 0.000 1.087 149 H CA 1.328 57.395 56.048 0.031 0.000 1.330 149 H CB -0.259 29.504 29.762 0.002 0.000 1.388 149 H HN 0.317 nan 8.280 nan 0.000 0.526 150 I N 0.607 121.293 120.570 0.192 0.000 2.202 150 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 150 I C 2.543 178.823 176.117 0.271 0.000 1.091 150 I CA 1.135 62.586 61.300 0.252 0.000 1.368 150 I CB -0.178 37.906 38.000 0.140 0.000 1.058 150 I HN 0.226 nan 8.210 nan 0.000 0.410 151 V N -1.987 118.025 119.914 0.164 0.000 2.626 151 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 151 V C 1.549 177.725 176.094 0.136 0.000 1.067 151 V CA 1.774 64.159 62.300 0.141 0.000 1.081 151 V CB -0.668 31.212 31.823 0.094 0.000 0.686 151 V HN 0.291 nan 8.190 nan 0.000 0.468 152 D N -0.835 119.647 120.400 0.136 0.000 2.348 152 D HA 0.079 4.719 4.640 -0.000 0.000 0.211 152 D C 0.695 177.043 176.300 0.081 0.000 0.998 152 D CA 0.524 54.586 54.000 0.102 0.000 0.873 152 D CB -0.313 40.551 40.800 0.107 0.000 0.925 152 D HN 0.701 nan 8.370 nan 0.000 0.524 153 H N 0.891 119.951 119.070 -0.017 0.000 2.722 153 H HA 0.207 4.762 4.556 -0.000 0.000 0.328 153 H C 0.066 175.286 175.328 -0.180 0.000 1.067 153 H CA -0.158 55.772 56.048 -0.197 0.000 1.447 153 H CB 0.418 29.889 29.762 -0.485 0.000 1.469 153 H HN -0.254 nan 8.280 nan 0.000 0.544 154 R N 3.544 123.716 120.500 -0.547 0.000 2.316 154 R HA 0.419 4.759 4.340 -0.000 0.000 0.314 154 R C -0.117 175.990 176.300 -0.321 0.000 1.069 154 R CA 0.632 56.534 56.100 -0.329 0.000 0.959 154 R CB 0.540 30.671 30.300 -0.283 0.000 0.987 154 R HN 0.963 nan 8.270 nan 0.000 0.446 155 G N 2.404 111.187 108.800 -0.028 0.000 2.369 155 G HA2 0.068 4.028 3.960 -0.000 0.000 0.293 155 G HA3 0.068 4.028 3.960 -0.000 0.000 0.293 155 G C -1.705 173.365 174.900 0.283 0.000 1.301 155 G CA -0.994 44.185 45.100 0.132 0.000 0.913 155 G HN 0.288 nan 8.290 nan 0.000 0.540 156 I N 1.016 121.741 120.570 0.259 0.000 2.362 156 I HA 0.418 4.588 4.170 -0.000 0.000 0.289 156 I C 0.602 176.660 176.117 -0.098 0.000 0.994 156 I CA -0.850 60.480 61.300 0.050 0.000 1.158 156 I CB 1.103 39.097 38.000 -0.009 0.000 1.315 156 I HN 0.418 nan 8.210 nan 0.000 0.451 157 I N 5.359 125.642 120.570 -0.479 0.000 2.533 157 I HA -0.028 4.142 4.170 -0.000 0.000 0.284 157 I C 1.261 177.008 176.117 -0.617 0.000 1.109 157 I CA 0.330 61.062 61.300 -0.946 0.000 1.412 157 I CB 0.695 37.839 38.000 -1.427 0.000 1.396 157 I HN 0.616 nan 8.210 nan 0.000 0.543 158 D N 4.740 124.897 120.400 -0.405 0.000 2.202 158 D HA -0.028 4.612 4.640 -0.000 0.000 0.214 158 D C 0.078 176.361 176.300 -0.028 0.000 0.967 158 D CA 0.767 54.672 54.000 -0.158 0.000 0.871 158 D CB 0.422 41.178 40.800 -0.074 0.000 1.020 158 D HN 0.780 nan 8.370 nan 0.000 0.474 159 N N -1.281 117.397 118.700 -0.036 0.000 2.710 159 N HA 0.395 5.135 4.740 -0.000 0.000 0.257 159 N C -1.430 174.221 175.510 0.236 0.000 1.327 159 N CA -0.871 52.334 53.050 0.258 0.000 0.861 159 N CB 2.138 40.664 38.487 0.066 0.000 1.532 159 N HN -0.064 nan 8.380 nan 0.000 0.499 160 V N -2.258 117.951 119.914 0.491 0.000 2.864 160 V HA 0.904 5.024 4.120 -0.000 0.000 0.314 160 V C -1.145 175.184 176.094 0.391 0.000 1.073 160 V CA -0.730 61.744 62.300 0.290 0.000 0.956 160 V CB 0.972 32.916 31.823 0.201 0.000 1.023 160 V HN 0.984 nan 8.190 nan 0.000 0.435 161 Y N 1.737 122.142 120.300 0.175 0.000 2.655 161 Y HA 0.927 5.477 4.550 -0.000 0.000 0.336 161 Y C -0.801 175.209 175.900 0.183 0.000 1.154 161 Y CA -1.112 57.075 58.100 0.145 0.000 1.055 161 Y CB 1.439 39.943 38.460 0.073 0.000 1.295 161 Y HN 0.955 nan 8.280 nan 0.000 0.465 162 V N -0.559 119.505 119.914 0.250 0.000 2.769 162 V HA 0.969 5.089 4.120 -0.000 0.000 0.312 162 V C -0.424 175.821 176.094 0.251 0.000 1.061 162 V CA -0.135 62.281 62.300 0.193 0.000 0.931 162 V CB 1.158 33.059 31.823 0.130 0.000 1.010 162 V HN 1.328 nan 8.190 nan 0.000 0.433 163 T N 0.086 114.789 114.554 0.249 0.000 2.916 163 T HA 0.552 4.901 4.350 -0.000 0.000 0.292 163 T C -0.400 174.380 174.700 0.134 0.000 1.064 163 T CA -0.874 61.340 62.100 0.190 0.000 1.011 163 T CB 1.638 70.628 68.868 0.203 0.000 1.152 163 T HN 0.726 nan 8.240 nan 0.000 0.510 164 N N 0.417 119.168 118.700 0.086 0.000 2.518 164 N HA 0.382 5.122 4.740 -0.000 0.000 0.266 164 N C 1.291 176.822 175.510 0.035 0.000 1.196 164 N CA 0.072 53.147 53.050 0.043 0.000 0.947 164 N CB 1.239 39.719 38.487 -0.012 0.000 1.098 164 N HN 0.858 nan 8.380 nan 0.000 0.450 165 A N 1.821 124.648 122.820 0.013 0.000 1.969 165 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 165 A C 1.512 179.092 177.584 -0.006 0.000 1.169 165 A CA 1.168 53.211 52.037 0.011 0.000 0.635 165 A CB -0.049 18.951 19.000 -0.001 0.000 0.810 165 A HN 0.464 nan 8.150 nan 0.000 0.445 166 L N -0.536 120.662 121.223 -0.042 0.000 2.693 166 L HA 0.259 4.599 4.340 -0.000 0.000 0.235 166 L C 0.085 176.915 176.870 -0.066 0.000 1.127 166 L CA 0.458 55.264 54.840 -0.057 0.000 0.914 166 L CB -0.629 41.378 42.059 -0.086 0.000 1.193 166 L HN 0.776 nan 8.230 nan 0.000 0.502 167 N N -4.053 114.611 118.700 -0.060 0.000 3.179 167 N HA 0.154 4.894 4.740 -0.000 0.000 0.250 167 N C -0.578 174.919 175.510 -0.022 0.000 1.507 167 N CA -0.580 52.439 53.050 -0.052 0.000 0.883 167 N CB 0.261 38.692 38.487 -0.094 0.000 1.435 167 N HN -0.234 nan 8.380 nan 0.000 0.532 168 D N -0.907 119.482 120.400 -0.017 0.000 2.368 168 D HA 0.154 4.794 4.640 -0.000 0.000 0.218 168 D C -0.753 175.545 176.300 -0.004 0.000 1.112 168 D CA 0.159 54.157 54.000 -0.003 0.000 0.834 168 D CB -0.139 40.657 40.800 -0.006 0.000 0.953 168 D HN 0.422 nan 8.370 nan 0.000 0.505 169 D N 0.938 121.331 120.400 -0.011 0.000 2.339 169 D HA 0.064 4.704 4.640 -0.000 0.000 0.245 169 D C 0.509 176.820 176.300 0.019 0.000 1.115 169 D CA 0.225 54.224 54.000 -0.001 0.000 0.917 169 D CB 0.809 41.604 40.800 -0.008 0.000 1.192 169 D HN -0.190 nan 8.370 nan 0.000 0.428 170 T N 3.098 117.664 114.554 0.021 0.000 2.871 170 T HA 0.135 4.485 4.350 -0.000 0.000 0.296 170 T C -2.145 172.587 174.700 0.052 0.000 0.998 170 T CA -0.703 61.416 62.100 0.031 0.000 1.162 170 T CB 0.151 69.031 68.868 0.019 0.000 0.947 170 T HN 0.109 nan 8.240 nan 0.000 0.536 171 P HA 0.192 nan 4.420 nan 0.000 0.264 171 P C -0.504 176.832 177.300 0.060 0.000 1.193 171 P CA 0.039 63.187 63.100 0.079 0.000 0.763 171 P CB 0.412 32.163 31.700 0.084 0.000 0.810 172 L N 1.662 122.920 121.223 0.059 0.000 2.303 172 L HA 0.717 5.057 4.340 -0.000 0.000 0.266 172 L C 0.567 177.449 176.870 0.019 0.000 1.011 172 L CA -1.478 53.380 54.840 0.030 0.000 0.818 172 L CB 1.525 43.600 42.059 0.026 0.000 1.326 172 L HN 0.281 nan 8.230 nan 0.000 0.435 173 A N 0.831 123.652 122.820 0.002 0.000 2.425 173 A HA 0.432 4.752 4.320 -0.000 0.000 0.249 173 A C 0.434 178.011 177.584 -0.011 0.000 1.084 173 A CA -0.208 51.825 52.037 -0.007 0.000 0.781 173 A CB 0.340 19.320 19.000 -0.033 0.000 1.019 173 A HN 0.776 nan 8.150 nan 0.000 0.490 174 S N 2.249 117.953 115.700 0.005 0.000 2.596 174 S HA 0.256 4.726 4.470 -0.000 0.000 0.260 174 S C 0.485 175.063 174.600 -0.035 0.000 1.336 174 S CA -0.406 57.801 58.200 0.013 0.000 0.993 174 S CB 0.244 63.487 63.200 0.072 0.000 0.923 174 S HN 0.836 nan 8.310 nan 0.000 0.567 175 R N 0.618 121.108 120.500 -0.017 0.000 2.538 175 R HA 0.023 4.363 4.340 -0.000 0.000 0.282 175 R C 0.561 176.795 176.300 -0.110 0.000 1.009 175 R CA 0.303 56.383 56.100 -0.034 0.000 1.063 175 R CB -0.044 30.263 30.300 0.011 0.000 0.945 175 R HN 0.804 nan 8.270 nan 0.000 0.414 176 R N 1.101 121.511 120.500 -0.150 0.000 3.590 176 R HA -0.200 4.140 4.340 -0.000 0.000 0.463 176 R C 1.306 177.322 176.300 -0.475 0.000 0.657 176 R CA 1.288 57.222 56.100 -0.276 0.000 1.512 176 R CB -2.246 27.883 30.300 -0.285 0.000 2.154 176 R HN 0.570 nan 8.270 nan 0.000 0.409 177 V N 0.844 120.488 119.914 -0.449 0.000 2.307 177 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 177 V C 2.458 178.415 176.094 -0.228 0.000 1.045 177 V CA 2.265 64.319 62.300 -0.410 0.000 1.024 177 V CB -0.394 31.291 31.823 -0.230 0.000 0.651 177 V HN 0.150 nan 8.190 nan 0.000 0.449 178 V N -0.345 119.476 119.914 -0.155 0.000 2.261 178 V HA -0.363 3.756 4.120 -0.000 0.000 0.246 178 V C 2.436 178.472 176.094 -0.096 0.000 1.047 178 V CA 2.519 64.757 62.300 -0.103 0.000 1.015 178 V CB -0.660 31.118 31.823 -0.075 0.000 0.642 178 V HN 0.630 nan 8.190 nan 0.000 0.446 179 Q N -0.376 119.361 119.800 -0.105 0.000 2.077 179 Q HA -0.255 4.084 4.340 -0.000 0.000 0.206 179 Q C 2.234 178.187 176.000 -0.078 0.000 0.989 179 Q CA 2.642 58.397 55.803 -0.081 0.000 0.853 179 Q CB -0.298 28.393 28.738 -0.077 0.000 0.907 179 Q HN 0.677 nan 8.270 nan 0.000 0.418 180 T N 1.124 115.603 114.554 -0.125 0.000 2.684 180 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 180 T C 1.775 176.447 174.700 -0.046 0.000 1.036 180 T CA 1.585 63.633 62.100 -0.087 0.000 1.148 180 T CB -0.240 68.532 68.868 -0.159 0.000 0.863 180 T HN 0.293 nan 8.240 nan 0.000 0.436 181 I N 0.571 121.105 120.570 -0.060 0.000 2.179 181 I HA -0.124 4.046 4.170 -0.000 0.000 0.242 181 I C 2.236 178.342 176.117 -0.019 0.000 1.088 181 I CA 1.211 62.492 61.300 -0.031 0.000 1.357 181 I CB -0.353 37.623 38.000 -0.040 0.000 1.051 181 I HN 0.199 nan 8.210 nan 0.000 0.409 182 L N 0.068 121.274 121.223 -0.029 0.000 2.141 182 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 182 L C 1.917 178.780 176.870 -0.011 0.000 1.094 182 L CA 1.329 56.158 54.840 -0.019 0.000 0.763 182 L CB -0.470 41.574 42.059 -0.025 0.000 0.908 182 L HN 0.274 nan 8.230 nan 0.000 0.437 183 E N -0.759 119.434 120.200 -0.012 0.000 2.479 183 E HA 0.074 4.423 4.350 -0.000 0.000 0.193 183 E C 0.404 177.007 176.600 0.005 0.000 1.049 183 E CA -0.261 56.137 56.400 -0.003 0.000 0.870 183 E CB 0.423 30.121 29.700 -0.003 0.000 0.944 183 E HN 0.263 nan 8.360 nan 0.000 0.492 184 S N 1.452 117.156 115.700 0.007 0.000 2.580 184 S HA 0.076 4.546 4.470 -0.000 0.000 0.274 184 S C 0.157 174.766 174.600 0.015 0.000 1.329 184 S CA -0.543 57.665 58.200 0.014 0.000 1.036 184 S CB 0.903 64.114 63.200 0.018 0.000 0.919 184 S HN 0.109 nan 8.310 nan 0.000 0.515 188 V N 5.947 125.881 119.914 0.034 0.000 2.357 188 V HA 0.487 4.607 4.120 -0.000 0.000 0.284 188 V C 0.135 176.257 176.094 0.046 0.000 1.018 188 V CA -0.531 61.782 62.300 0.021 0.000 0.841 188 V CB 2.071 33.882 31.823 -0.020 0.000 0.991 188 V HN 0.441 nan 8.190 nan 0.000 0.437 189 L N 5.125 126.405 121.223 0.095 0.000 2.282 189 L HA 0.788 5.128 4.340 -0.000 0.000 0.288 189 L C 0.937 177.910 176.870 0.172 0.000 1.033 189 L CA 0.249 55.178 54.840 0.148 0.000 0.807 189 L CB 1.136 43.321 42.059 0.209 0.000 1.209 189 L HN 0.967 nan 8.230 nan 0.000 0.423 190 G N 4.562 113.420 108.800 0.096 0.000 2.725 190 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.220 190 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.220 190 G C -2.958 171.873 174.900 -0.114 0.000 1.357 190 G CA -0.917 44.202 45.100 0.031 0.000 0.866 190 G HN 0.451 nan 8.290 nan 0.000 0.548 191 P HA 0.597 nan 4.420 nan 0.000 0.279 191 P C 0.587 177.838 177.300 -0.081 0.000 1.282 191 P CA 1.037 63.988 63.100 -0.248 0.000 0.788 191 P CB 1.187 32.453 31.700 -0.723 0.000 1.139 192 G N -1.499 107.312 108.800 0.018 0.000 2.347 192 G HA2 0.150 4.110 3.960 -0.000 0.000 0.321 192 G HA3 0.150 4.110 3.960 -0.000 0.000 0.321 192 G C -0.968 173.998 174.900 0.111 0.000 1.412 192 G CA -0.512 44.624 45.100 0.061 0.000 0.990 192 G HN 0.515 nan 8.290 nan 0.000 0.637 193 S N -0.632 115.132 115.700 0.107 0.000 2.544 193 S HA 0.159 4.629 4.470 -0.000 0.000 0.290 193 S C 1.713 176.359 174.600 0.077 0.000 1.276 193 S CA 0.251 58.526 58.200 0.125 0.000 1.075 193 S CB 0.626 63.900 63.200 0.123 0.000 0.849 193 S HN 1.433 nan 8.310 nan 0.000 0.494 194 L N 6.195 127.446 121.223 0.046 0.000 2.017 194 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 194 L C 1.555 178.253 176.870 -0.287 0.000 1.073 194 L CA 2.062 56.810 54.840 -0.153 0.000 0.745 194 L CB -0.706 41.199 42.059 -0.258 0.000 0.894 194 L HN 0.825 nan 8.230 nan 0.000 0.432 195 F N -1.108 118.836 119.950 -0.010 0.000 2.416 195 F HA -0.018 4.509 4.527 -0.000 0.000 0.296 195 F C 2.272 178.046 175.800 -0.042 0.000 1.099 195 F CA 1.242 59.203 58.000 -0.065 0.000 1.427 195 F CB -0.742 38.205 39.000 -0.088 0.000 1.079 195 F HN 0.290 nan 8.300 nan 0.000 0.536 196 T N -6.195 108.439 114.554 0.132 0.000 2.975 196 T HA 0.206 4.556 4.350 -0.000 0.000 0.257 196 T C 1.548 176.279 174.700 0.051 0.000 1.003 196 T CA 0.559 62.710 62.100 0.085 0.000 0.932 196 T CB 0.083 69.003 68.868 0.088 0.000 1.087 196 T HN -0.015 nan 8.240 nan 0.000 0.512 197 S N 0.367 116.093 115.700 0.042 0.000 2.691 197 S HA 0.454 4.924 4.470 -0.000 0.000 0.241 197 S C 1.584 176.193 174.600 0.016 0.000 1.077 197 S CA -0.122 58.095 58.200 0.028 0.000 0.900 197 S CB 0.056 63.275 63.200 0.032 0.000 0.805 197 S HN 0.360 nan 8.310 nan 0.000 0.529 198 I N 1.468 122.039 120.570 0.002 0.000 2.364 198 I HA 0.026 4.196 4.170 -0.000 0.000 0.241 198 I C 1.879 177.977 176.117 -0.031 0.000 1.082 198 I CA 0.782 62.078 61.300 -0.007 0.000 1.401 198 I CB -0.281 37.715 38.000 -0.006 0.000 1.126 198 I HN 0.148 nan 8.210 nan 0.000 0.429 199 L N 0.903 122.073 121.223 -0.088 0.000 2.079 199 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 199 L C -0.417 176.442 176.870 -0.018 0.000 1.081 199 L CA 1.550 56.326 54.840 -0.106 0.000 0.752 199 L CB -1.782 40.120 42.059 -0.262 0.000 0.896 199 L HN 0.178 nan 8.230 nan 0.000 0.433 200 P HA -0.139 nan 4.420 nan 0.000 0.219 200 P C 0.974 178.298 177.300 0.040 0.000 1.146 200 P CA 1.236 64.359 63.100 0.039 0.000 0.808 200 P CB -0.101 31.621 31.700 0.037 0.000 0.779 201 N N -0.129 118.587 118.700 0.027 0.000 2.171 201 N HA -0.073 4.667 4.740 -0.000 0.000 0.184 201 N C 1.730 177.248 175.510 0.013 0.000 1.021 201 N CA 1.274 54.339 53.050 0.026 0.000 0.854 201 N CB -0.408 38.094 38.487 0.024 0.000 0.994 201 N HN 0.318 nan 8.380 nan 0.000 0.426 202 I N -0.877 119.695 120.570 0.003 0.000 3.728 202 I HA 0.051 4.221 4.170 -0.000 0.000 0.307 202 I C 1.678 177.788 176.117 -0.010 0.000 1.276 202 I CA 0.207 61.491 61.300 -0.027 0.000 1.285 202 I CB -0.005 37.967 38.000 -0.047 0.000 1.038 202 I HN -0.184 nan 8.210 nan 0.000 0.445 203 V N -0.967 118.970 119.914 0.040 0.000 3.623 203 V HA 0.256 4.376 4.120 -0.000 0.000 0.271 203 V C 1.261 177.394 176.094 0.064 0.000 1.248 203 V CA -0.015 62.333 62.300 0.080 0.000 1.156 203 V CB -1.191 30.728 31.823 0.161 0.000 0.870 203 V HN 0.287 nan 8.190 nan 0.000 0.453 207 I N 1.575 122.116 120.570 -0.047 0.000 2.202 207 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 207 I C 2.446 178.503 176.117 -0.101 0.000 1.091 207 I CA 1.737 63.000 61.300 -0.062 0.000 1.368 207 I CB -0.368 37.606 38.000 -0.042 0.000 1.058 207 I HN 0.199 nan 8.210 nan 0.000 0.410 208 G N 0.788 109.520 108.800 -0.114 0.000 2.446 208 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.217 208 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.217 208 G C 1.824 176.618 174.900 -0.178 0.000 1.168 208 G CA 0.613 45.601 45.100 -0.186 0.000 0.771 208 G HN 0.293 nan 8.290 nan 0.000 0.551 209 R N 0.331 120.764 120.500 -0.111 0.000 2.096 209 R HA 0.052 4.392 4.340 -0.000 0.000 0.235 209 R C 3.014 179.264 176.300 -0.083 0.000 1.127 209 R CA 1.071 57.118 56.100 -0.089 0.000 0.968 209 R CB -0.289 29.975 30.300 -0.060 0.000 0.861 209 R HN 0.370 nan 8.270 nan 0.000 0.440 210 A N 0.916 123.688 122.820 -0.080 0.000 1.930 210 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 210 A C 2.105 179.650 177.584 -0.066 0.000 1.175 210 A CA 1.016 53.014 52.037 -0.065 0.000 0.627 210 A CB -0.396 18.567 19.000 -0.062 0.000 0.815 210 A HN 0.172 nan 8.150 nan 0.000 0.443 211 L N -0.621 120.538 121.223 -0.105 0.000 2.093 211 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 211 L C 2.459 179.282 176.870 -0.078 0.000 1.085 211 L CA 0.898 55.675 54.840 -0.106 0.000 0.755 211 L CB -0.472 41.439 42.059 -0.247 0.000 0.904 211 L HN 0.363 nan 8.230 nan 0.000 0.435 212 L N -0.738 120.410 121.223 -0.125 0.000 2.093 212 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 212 L C 2.291 179.151 176.870 -0.017 0.000 1.085 212 L CA 1.246 56.050 54.840 -0.060 0.000 0.755 212 L CB -0.360 41.649 42.059 -0.082 0.000 0.904 212 L HN 0.293 nan 8.230 nan 0.000 0.435 213 E N -1.228 118.956 120.200 -0.027 0.000 2.318 213 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 213 E C 1.133 177.731 176.600 -0.004 0.000 0.998 213 E CA 0.064 56.455 56.400 -0.015 0.000 0.859 213 E CB 0.242 29.928 29.700 -0.023 0.000 0.812 213 E HN 0.262 nan 8.360 nan 0.000 0.492 217 E N 1.210 121.430 120.200 0.033 0.000 2.351 217 E HA 0.397 4.747 4.350 -0.000 0.000 0.266 217 E C -0.724 175.905 176.600 0.048 0.000 1.031 217 E CA 0.376 56.798 56.400 0.035 0.000 0.911 217 E CB 0.066 29.781 29.700 0.024 0.000 0.986 217 E HN 0.398 nan 8.360 nan 0.000 0.446 218 I N 4.251 124.859 120.570 0.063 0.000 2.297 218 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 218 I C -0.089 176.059 176.117 0.051 0.000 1.033 218 I CA -0.619 60.732 61.300 0.085 0.000 1.253 218 I CB 1.222 39.320 38.000 0.163 0.000 1.396 218 I HN 0.528 nan 8.210 nan 0.000 0.476 219 A N 6.686 129.535 122.820 0.049 0.000 2.318 219 A HA 0.585 4.905 4.320 -0.000 0.000 0.324 219 A C -1.389 176.239 177.584 0.074 0.000 1.170 219 A CA -0.385 51.670 52.037 0.030 0.000 0.810 219 A CB 0.834 19.828 19.000 -0.011 0.000 1.198 219 A HN 0.601 nan 8.150 nan 0.000 0.484 220 Y N 2.821 123.066 120.300 -0.092 0.000 2.328 220 Y HA 0.535 5.085 4.550 -0.000 0.000 0.336 220 Y C -0.972 174.854 175.900 -0.124 0.000 0.960 220 Y CA -1.248 56.789 58.100 -0.105 0.000 1.134 220 Y CB 1.615 39.996 38.460 -0.132 0.000 1.166 220 Y HN 0.403 nan 8.280 nan 0.000 0.464 221 V N 7.136 126.703 119.914 -0.578 0.000 2.348 221 V HA 0.192 4.312 4.120 -0.000 0.000 0.270 221 V C 0.399 175.943 176.094 -0.917 0.000 1.037 221 V CA -0.800 61.118 62.300 -0.637 0.000 0.872 221 V CB 0.477 32.038 31.823 -0.436 0.000 1.002 221 V HN 1.006 nan 8.190 nan 0.000 0.464 222 C N 5.481 124.263 119.300 -0.863 0.000 2.595 222 C HA 0.329 4.789 4.460 -0.000 0.000 0.384 222 C C 1.030 175.912 174.990 -0.180 0.000 1.289 222 C CA -0.541 58.060 59.018 -0.696 0.000 2.372 222 C CB -0.163 27.265 27.740 -0.521 0.000 2.593 222 C HN 0.981 nan 8.230 nan 0.000 0.639 223 N N 1.745 120.377 118.700 -0.112 0.000 2.415 223 N HA 0.327 5.067 4.740 -0.000 0.000 0.248 223 N C -0.093 175.407 175.510 -0.017 0.000 1.271 223 N CA -0.143 52.962 53.050 0.091 0.000 0.913 223 N CB 0.383 38.953 38.487 0.137 0.000 1.129 223 N HN 0.541 nan 8.380 nan 0.000 0.444 227 Q N 0.390 120.333 119.800 0.238 0.000 2.445 227 Q HA 0.552 4.892 4.340 -0.000 0.000 0.281 227 Q C -0.234 175.856 176.000 0.149 0.000 1.101 227 Q CA -1.038 54.876 55.803 0.185 0.000 0.833 227 Q CB 1.865 30.727 28.738 0.207 0.000 1.416 227 Q HN 0.720 nan 8.270 nan 0.000 0.451 228 R N -0.220 120.353 120.500 0.122 0.000 2.566 228 R HA 0.122 4.462 4.340 -0.000 0.000 0.273 228 R C 1.015 177.371 176.300 0.095 0.000 0.981 228 R CA 1.862 58.025 56.100 0.104 0.000 1.091 228 R CB -0.253 30.107 30.300 0.101 0.000 0.924 228 R HN 0.996 nan 8.270 nan 0.000 0.411 229 G N 1.861 110.702 108.800 0.068 0.000 2.195 229 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 229 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 229 G C -0.240 174.597 174.900 -0.105 0.000 0.984 229 G CA 0.115 45.209 45.100 -0.010 0.000 0.633 229 G HN 0.594 nan 8.290 nan 0.000 0.525 230 E N 0.957 121.136 120.200 -0.035 0.000 2.212 230 E HA 0.540 4.890 4.350 -0.000 0.000 0.268 230 E C 0.474 177.064 176.600 -0.017 0.000 0.902 230 E CA -0.221 56.111 56.400 -0.113 0.000 0.779 230 E CB 1.564 31.270 29.700 0.010 0.000 1.172 230 E HN 0.344 nan 8.360 nan 0.000 0.409 231 T N -1.178 113.352 114.554 -0.041 0.000 2.828 231 T HA 0.221 4.571 4.350 -0.000 0.000 0.290 231 T C 1.281 176.071 174.700 0.150 0.000 1.019 231 T CA 0.094 62.229 62.100 0.059 0.000 1.031 231 T CB 1.195 70.093 68.868 0.050 0.000 1.001 231 T HN 0.627 nan 8.240 nan 0.000 0.531 232 E N -0.624 119.654 120.200 0.129 0.000 2.153 232 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 232 E C 1.943 178.644 176.600 0.168 0.000 0.988 232 E CA 2.054 58.539 56.400 0.141 0.000 0.811 232 E CB -1.772 27.989 29.700 0.102 0.000 0.746 232 E HN 1.150 nan 8.360 nan 0.000 0.466 233 H N -1.516 117.656 119.070 0.170 0.000 2.550 233 H HA 0.598 5.154 4.556 -0.000 0.000 0.304 233 H C 0.109 175.590 175.328 0.254 0.000 1.086 233 H CA -0.257 55.895 56.048 0.172 0.000 1.089 233 H CB -0.675 29.163 29.762 0.126 0.000 1.528 233 H HN 0.347 nan 8.280 nan 0.000 0.539 234 F N 4.098 124.115 119.950 0.112 0.000 2.509 234 F HA 0.335 4.862 4.527 -0.000 0.000 0.350 234 F C 1.008 176.945 175.800 0.228 0.000 1.220 234 F CA -0.645 57.431 58.000 0.126 0.000 1.151 234 F CB -0.145 38.901 39.000 0.077 0.000 1.379 234 F HN 0.390 nan 8.300 nan 0.000 0.610 235 T N 0.926 115.525 114.554 0.074 0.000 2.788 235 T HA 0.129 4.478 4.350 -0.000 0.000 0.287 235 T C 1.219 175.908 174.700 -0.019 0.000 1.007 235 T CA -0.068 62.055 62.100 0.038 0.000 1.005 235 T CB 0.813 69.704 68.868 0.038 0.000 1.012 235 T HN 0.511 nan 8.240 nan 0.000 0.530 236 D N 0.556 120.925 120.400 -0.051 0.000 2.133 236 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 236 D C 2.145 178.417 176.300 -0.046 0.000 0.997 236 D CA 1.737 55.657 54.000 -0.135 0.000 0.840 236 D CB -1.049 39.719 40.800 -0.054 0.000 0.947 236 D HN 0.498 nan 8.370 nan 0.000 0.452 237 S N -0.118 115.565 115.700 -0.029 0.000 2.383 237 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 237 S C 1.414 175.989 174.600 -0.041 0.000 1.030 237 S CA 1.484 59.661 58.200 -0.038 0.000 1.002 237 S CB -0.457 62.720 63.200 -0.038 0.000 0.829 237 S HN 0.144 nan 8.310 nan 0.000 0.467 238 D N -0.061 120.308 120.400 -0.051 0.000 2.219 238 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 238 D C 1.624 177.820 176.300 -0.173 0.000 0.970 238 D CA 0.966 54.945 54.000 -0.035 0.000 0.851 238 D CB -0.490 40.353 40.800 0.070 0.000 0.943 238 D HN 0.568 nan 8.370 nan 0.000 0.488 239 H N 0.056 118.810 119.070 -0.527 0.000 2.321 239 H HA -0.032 4.524 4.556 -0.000 0.000 0.300 239 H C 2.291 177.474 175.328 -0.241 0.000 1.087 239 H CA 0.747 56.574 56.048 -0.369 0.000 1.319 239 H CB -0.407 29.235 29.762 -0.199 0.000 1.379 239 H HN -0.053 nan 8.280 nan 0.000 0.501 240 V N 0.538 120.389 119.914 -0.105 0.000 2.343 240 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 240 V C 2.322 178.189 176.094 -0.379 0.000 1.051 240 V CA 2.099 64.188 62.300 -0.351 0.000 1.036 240 V CB -0.398 31.232 31.823 -0.321 0.000 0.654 240 V HN 0.445 nan 8.190 nan 0.000 0.451 241 E N -0.062 120.050 120.200 -0.147 0.000 2.085 241 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 241 E C 2.148 178.794 176.600 0.077 0.000 0.994 241 E CA 1.606 57.999 56.400 -0.013 0.000 0.801 241 E CB -0.066 29.669 29.700 0.058 0.000 0.743 241 E HN 0.404 nan 8.360 nan 0.000 0.453 242 V N 0.852 120.824 119.914 0.097 0.000 2.358 242 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 242 V C 2.364 178.564 176.094 0.177 0.000 1.047 242 V CA 1.535 63.946 62.300 0.185 0.000 1.035 242 V CB -0.421 31.506 31.823 0.173 0.000 0.658 242 V HN 0.337 nan 8.190 nan 0.000 0.452 243 L N -0.825 120.390 121.223 -0.014 0.000 2.012 243 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 243 L C 2.507 179.596 176.870 0.364 0.000 1.073 243 L CA 2.022 56.891 54.840 0.047 0.000 0.748 243 L CB -0.824 41.107 42.059 -0.214 0.000 0.891 243 L HN 0.443 nan 8.230 nan 0.000 0.431 244 H N -1.020 118.142 119.070 0.153 0.000 2.353 244 H HA -0.181 4.375 4.556 -0.000 0.000 0.300 244 H C 2.488 177.931 175.328 0.191 0.000 1.090 244 H CA 1.134 57.309 56.048 0.212 0.000 1.327 244 H CB 0.155 29.960 29.762 0.071 0.000 1.383 244 H HN 0.216 nan 8.280 nan 0.000 0.508 245 R N 0.409 121.084 120.500 0.291 0.000 2.081 245 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 245 R C 1.840 178.212 176.300 0.120 0.000 1.131 245 R CA 1.617 57.819 56.100 0.170 0.000 0.960 245 R CB -0.100 30.285 30.300 0.142 0.000 0.856 245 R HN 0.402 nan 8.270 nan 0.000 0.436 246 H N -0.108 119.032 119.070 0.117 0.000 2.423 246 H HA -0.031 4.525 4.556 -0.000 0.000 0.297 246 H C 1.735 177.094 175.328 0.051 0.000 1.075 246 H CA 1.571 57.671 56.048 0.086 0.000 1.342 246 H CB 0.098 29.910 29.762 0.083 0.000 1.395 246 H HN 0.160 nan 8.280 nan 0.000 0.530 247 L N -1.586 119.740 121.223 0.171 0.000 2.341 247 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 247 L C 1.726 178.600 176.870 0.006 0.000 1.115 247 L CA 1.035 55.878 54.840 0.006 0.000 0.820 247 L CB -0.040 41.892 42.059 -0.211 0.000 0.944 247 L HN 0.640 nan 8.230 nan 0.000 0.452 248 G N 0.335 109.172 108.800 0.061 0.000 2.232 248 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 248 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 248 G C 0.337 175.254 174.900 0.028 0.000 0.996 248 G CA -0.220 44.896 45.100 0.028 0.000 0.626 248 G HN 0.361 nan 8.290 nan 0.000 0.509 249 R N 0.020 120.543 120.500 0.038 0.000 2.774 249 R HA 0.517 4.856 4.340 -0.000 0.000 0.272 249 R C -3.221 173.038 176.300 -0.069 0.000 1.000 249 R CA -2.154 53.944 56.100 -0.004 0.000 0.906 249 R CB 1.713 32.005 30.300 -0.014 0.000 1.227 249 R HN -0.006 nan 8.270 nan 0.000 0.468 250 P HA -0.026 nan 4.420 nan 0.000 0.265 250 P C -0.459 176.646 177.300 -0.326 0.000 1.193 250 P CA 0.302 62.917 63.100 -0.808 0.000 0.765 250 P CB 0.160 31.601 31.700 -0.431 0.000 0.823 251 F N 0.984 120.632 119.950 -0.503 0.000 2.995 251 F HA 0.426 4.953 4.527 -0.000 0.000 0.382 251 F C -0.091 175.729 175.800 0.034 0.000 1.019 251 F CA -0.353 57.572 58.000 -0.125 0.000 1.078 251 F CB -0.399 38.558 39.000 -0.072 0.000 1.192 251 F HN -0.044 nan 8.300 nan 0.000 0.553 252 I N 3.429 123.779 120.570 -0.367 0.000 2.416 252 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 252 I C 0.442 176.530 176.117 -0.048 0.000 1.051 252 I CA 0.021 61.180 61.300 -0.236 0.000 1.375 252 I CB 0.763 38.600 38.000 -0.272 0.000 1.407 252 I HN 0.154 nan 8.210 nan 0.000 0.516 253 D N 3.374 123.767 120.400 -0.013 0.000 2.262 253 D HA 0.042 4.681 4.640 -0.000 0.000 0.212 253 D C 0.364 176.667 176.300 0.005 0.000 0.964 253 D CA 1.174 55.178 54.000 0.007 0.000 0.875 253 D CB 0.462 41.275 40.800 0.021 0.000 0.996 253 D HN 0.437 nan 8.370 nan 0.000 0.497 254 T N 0.414 114.971 114.554 0.005 0.000 2.886 254 T HA 0.455 4.805 4.350 -0.000 0.000 0.292 254 T C -1.042 173.660 174.700 0.003 0.000 1.012 254 T CA -0.542 61.561 62.100 0.005 0.000 0.982 254 T CB 3.043 71.914 68.868 0.005 0.000 1.018 254 T HN -0.232 nan 8.240 nan 0.000 0.451 255 V N 4.600 124.514 119.914 -0.000 0.000 2.531 255 V HA 0.681 4.801 4.120 -0.000 0.000 0.301 255 V C -1.734 174.337 176.094 -0.038 0.000 1.034 255 V CA -0.849 61.441 62.300 -0.016 0.000 0.865 255 V CB 1.343 33.178 31.823 0.020 0.000 0.995 255 V HN 0.701 nan 8.190 nan 0.000 0.424 256 L N 7.638 128.778 121.223 -0.138 0.000 2.287 256 L HA 0.721 5.061 4.340 -0.000 0.000 0.287 256 L C -0.223 176.574 176.870 -0.120 0.000 1.022 256 L CA -0.237 54.522 54.840 -0.135 0.000 0.814 256 L CB 1.807 43.625 42.059 -0.403 0.000 1.217 256 L HN 0.649 nan 8.230 nan 0.000 0.420 257 V N 0.563 120.538 119.914 0.103 0.000 2.735 257 V HA 0.670 4.790 4.120 -0.000 0.000 0.310 257 V C -0.416 175.802 176.094 0.207 0.000 1.061 257 V CA -0.856 61.488 62.300 0.074 0.000 0.913 257 V CB 1.901 33.747 31.823 0.038 0.000 1.005 257 V HN 0.739 nan 8.190 nan 0.000 0.428 258 N N 3.047 121.834 118.700 0.145 0.000 2.514 258 N HA 0.486 5.225 4.740 -0.000 0.000 0.277 258 N C 0.409 175.850 175.510 -0.116 0.000 1.126 258 N CA -0.087 53.004 53.050 0.067 0.000 0.978 258 N CB 1.202 39.716 38.487 0.046 0.000 1.106 258 N HN 0.901 nan 8.380 nan 0.000 0.461 259 I N -1.558 118.896 120.570 -0.194 0.000 4.240 259 I HA 0.452 4.622 4.170 -0.000 0.000 0.331 259 I C 0.420 176.443 176.117 -0.157 0.000 1.381 259 I CA -0.472 60.696 61.300 -0.221 0.000 1.136 259 I CB 0.034 37.835 38.000 -0.330 0.000 1.137 259 I HN 0.341 nan 8.210 nan 0.000 0.411 263 P HA 0.310 nan 4.420 nan 0.000 0.271 263 P C 0.548 177.806 177.300 -0.068 0.000 1.216 263 P CA -0.210 62.846 63.100 -0.074 0.000 0.776 263 P CB 1.041 32.712 31.700 -0.047 0.000 0.881 264 Q N 1.541 121.303 119.800 -0.063 0.000 2.084 264 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 264 Q C 2.149 178.100 176.000 -0.082 0.000 0.978 264 Q CA 2.131 57.888 55.803 -0.076 0.000 0.844 264 Q CB -0.634 28.076 28.738 -0.047 0.000 0.898 264 Q HN 0.457 nan 8.270 nan 0.000 0.426 265 E N -1.065 119.105 120.200 -0.049 0.000 2.130 265 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 265 E C 0.555 177.110 176.600 -0.075 0.000 0.998 265 E CA 0.957 57.328 56.400 -0.049 0.000 0.806 265 E CB -0.612 29.075 29.700 -0.023 0.000 0.738 265 E HN 0.576 nan 8.360 nan 0.000 0.459 269 S N 1.488 117.100 115.700 -0.147 0.000 2.374 269 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 269 S C 1.040 175.559 174.600 -0.136 0.000 1.037 269 S CA 1.064 59.176 58.200 -0.147 0.000 1.024 269 S CB -0.247 62.834 63.200 -0.198 0.000 0.861 269 S HN 0.319 nan 8.310 nan 0.000 0.456 270 N N 0.814 119.405 118.700 -0.182 0.000 2.276 270 N HA 0.138 4.878 4.740 -0.000 0.000 0.212 270 N C -0.683 174.932 175.510 0.175 0.000 1.127 270 N CA 0.040 53.070 53.050 -0.034 0.000 0.834 270 N CB 0.267 38.694 38.487 -0.101 0.000 1.014 270 N HN 0.337 nan 8.380 nan 0.000 0.491 271 R N 0.057 120.642 120.500 0.141 0.000 3.332 271 R HA -0.147 4.193 4.340 -0.000 0.000 0.263 271 R C -0.916 175.516 176.300 0.220 0.000 1.053 271 R CA 0.368 56.549 56.100 0.134 0.000 0.705 271 R CB -2.558 27.779 30.300 0.062 0.000 1.166 271 R HN 0.045 nan 8.270 nan 0.000 0.427 272 F N 1.438 121.373 119.950 -0.024 0.000 2.459 272 F HA 0.078 4.605 4.527 -0.000 0.000 0.346 272 F C 1.593 177.401 175.800 0.014 0.000 1.128 272 F CA -0.886 57.115 58.000 0.002 0.000 1.268 272 F CB 0.302 39.309 39.000 0.011 0.000 1.161 272 F HN 0.046 nan 8.300 nan 0.000 0.583 273 D N 2.416 122.902 120.400 0.144 0.000 2.417 273 D HA 0.115 4.755 4.640 -0.000 0.000 0.250 273 D C 0.944 177.324 176.300 0.134 0.000 1.166 273 D CA 0.661 54.723 54.000 0.104 0.000 0.881 273 D CB 1.265 42.102 40.800 0.061 0.000 1.164 273 D HN 0.750 nan 8.370 nan 0.000 0.467 274 E N 3.366 123.626 120.200 0.100 0.000 2.072 274 E HA -0.167 4.182 4.350 -0.000 0.000 0.190 274 E C 2.255 178.905 176.600 0.083 0.000 0.982 274 E CA 1.783 58.236 56.400 0.088 0.000 0.803 274 E CB -1.664 28.072 29.700 0.061 0.000 0.755 274 E HN 0.752 nan 8.360 nan 0.000 0.453 275 Y N 0.293 120.638 120.300 0.074 0.000 2.384 275 Y HA 0.379 4.929 4.550 -0.000 0.000 0.289 275 Y C 1.698 177.652 175.900 0.091 0.000 1.152 275 Y CA 0.898 59.041 58.100 0.072 0.000 1.258 275 Y CB -0.548 37.948 38.460 0.061 0.000 0.979 275 Y HN 0.288 nan 8.280 nan 0.000 0.549 276 L N 2.050 123.338 121.223 0.108 0.000 2.265 276 L HA 0.494 4.834 4.340 -0.000 0.000 0.288 276 L C 0.172 177.129 176.870 0.145 0.000 1.058 276 L CA -0.728 54.189 54.840 0.129 0.000 0.809 276 L CB 1.188 43.324 42.059 0.128 0.000 1.179 276 L HN 0.373 nan 8.230 nan 0.000 0.429 277 V N 0.844 120.842 119.914 0.139 0.000 3.177 277 V HA 0.455 4.575 4.120 -0.000 0.000 0.319 277 V C -0.143 176.029 176.094 0.129 0.000 1.125 277 V CA -0.996 61.378 62.300 0.124 0.000 1.029 277 V CB 1.648 33.532 31.823 0.102 0.000 1.119 277 V HN 0.860 nan 8.190 nan 0.000 0.452 278 Q N 0.827 120.686 119.800 0.098 0.000 2.364 278 Q HA 0.339 4.678 4.340 -0.000 0.000 0.267 278 Q C -0.509 175.542 176.000 0.085 0.000 0.999 278 Q CA -0.344 55.505 55.803 0.078 0.000 0.886 278 Q CB 1.282 30.041 28.738 0.036 0.000 1.243 278 Q HN 0.773 nan 8.270 nan 0.000 0.415 279 V N 4.484 124.443 119.914 0.075 0.000 2.617 279 V HA -0.079 4.041 4.120 -0.000 0.000 0.304 279 V C 0.209 176.343 176.094 0.067 0.000 1.040 279 V CA 0.541 62.887 62.300 0.077 0.000 1.149 279 V CB 0.503 32.318 31.823 -0.013 0.000 0.914 279 V HN 0.823 nan 8.190 nan 0.000 0.487 280 E N 2.727 122.981 120.200 0.091 0.000 2.338 280 E HA 0.159 4.509 4.350 -0.000 0.000 0.272 280 E C -0.441 176.228 176.600 0.115 0.000 1.029 280 E CA -0.418 56.039 56.400 0.095 0.000 0.872 280 E CB 0.647 30.401 29.700 0.090 0.000 1.015 280 E HN 0.683 nan 8.360 nan 0.000 0.417 281 H N 2.097 121.179 119.070 0.019 0.000 2.580 281 H HA 0.134 4.690 4.556 0.000 0.000 0.322 281 H C -1.114 174.245 175.328 0.053 0.000 1.082 281 H CA -0.381 55.684 56.048 0.029 0.000 1.383 281 H CB 0.712 30.491 29.762 0.028 0.000 1.450 281 H HN 0.285 nan 8.280 nan 0.000 0.505 282 D N 4.813 125.045 120.400 -0.280 0.000 2.363 282 D HA -0.010 4.629 4.640 -0.000 0.000 0.258 282 D C 0.198 176.334 176.300 -0.273 0.000 1.259 282 D CA -0.495 53.354 54.000 -0.251 0.000 0.921 282 D CB -0.414 40.336 40.800 -0.083 0.000 1.201 282 D HN 0.440 nan 8.370 nan 0.000 0.524 283 F N 2.778 122.386 119.950 -0.569 0.000 2.134 283 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 283 F C 1.714 177.443 175.800 -0.118 0.000 1.097 283 F CA 1.365 59.187 58.000 -0.297 0.000 1.264 283 F CB 0.019 38.904 39.000 -0.192 0.000 1.001 283 F HN 0.235 nan 8.300 nan 0.000 0.479 284 V N 0.285 120.175 119.914 -0.039 0.000 2.255 284 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 284 V C 2.780 178.796 176.094 -0.131 0.000 1.051 284 V CA 2.056 64.305 62.300 -0.085 0.000 1.018 284 V CB -1.711 30.114 31.823 0.004 0.000 0.641 284 V HN 0.523 nan 8.190 nan 0.000 0.445 285 G N -0.345 108.398 108.800 -0.094 0.000 2.440 285 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 285 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 285 G C 1.612 176.448 174.900 -0.107 0.000 1.154 285 G CA 1.163 46.216 45.100 -0.077 0.000 0.767 285 G HN 0.452 nan 8.290 nan 0.000 0.552 286 L N 0.319 121.453 121.223 -0.148 0.000 1.989 286 L HA -0.076 4.263 4.340 -0.000 0.000 0.211 286 L C 2.165 178.914 176.870 -0.202 0.000 1.071 286 L CA 0.296 55.043 54.840 -0.155 0.000 0.749 286 L CB -0.764 41.213 42.059 -0.136 0.000 0.890 286 L HN 0.224 nan 8.230 nan 0.000 0.431 290 V N 0.430 120.336 119.914 -0.013 0.000 2.841 290 V HA 0.279 4.399 4.120 -0.000 0.000 0.310 290 V C 0.531 176.606 176.094 -0.032 0.000 1.090 290 V CA -0.268 62.027 62.300 -0.009 0.000 0.930 290 V CB 2.023 33.831 31.823 -0.025 0.000 1.014 290 V HN 0.101 nan 8.190 nan 0.000 0.425 291 S N 1.992 117.682 115.700 -0.015 0.000 2.357 291 S HA 0.002 4.472 4.470 -0.000 0.000 0.221 291 S C 0.975 175.567 174.600 -0.014 0.000 1.031 291 S CA 0.982 59.173 58.200 -0.015 0.000 0.982 291 S CB -0.044 63.155 63.200 -0.002 0.000 0.853 291 S HN 0.657 nan 8.310 nan 0.000 0.458 292 R N 1.372 121.870 120.500 -0.003 0.000 2.310 292 R HA 0.474 4.814 4.340 -0.000 0.000 0.324 292 R C -1.884 174.425 176.300 0.016 0.000 0.955 292 R CA -0.133 55.976 56.100 0.014 0.000 0.830 292 R CB 0.973 31.287 30.300 0.023 0.000 1.154 292 R HN 0.022 nan 8.270 nan 0.000 0.458 293 V N 7.113 127.047 119.914 0.033 0.000 2.384 293 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 293 V C -0.053 176.140 176.094 0.165 0.000 1.020 293 V CA -0.636 61.706 62.300 0.069 0.000 0.850 293 V CB 1.632 33.446 31.823 -0.015 0.000 0.987 293 V HN 0.691 nan 8.190 nan 0.000 0.436 294 I N 3.854 124.519 120.570 0.158 0.000 2.382 294 I HA 0.404 4.574 4.170 -0.000 0.000 0.285 294 I C 0.032 176.287 176.117 0.230 0.000 1.007 294 I CA 0.084 61.498 61.300 0.191 0.000 1.142 294 I CB 1.659 39.776 38.000 0.196 0.000 1.289 294 I HN 0.501 nan 8.210 nan 0.000 0.453 295 S N 4.372 120.164 115.700 0.153 0.000 2.456 295 S HA 0.701 5.171 4.470 -0.000 0.000 0.316 295 S C -0.370 174.142 174.600 -0.146 0.000 1.089 295 S CA -0.515 57.691 58.200 0.011 0.000 1.101 295 S CB 1.596 64.765 63.200 -0.053 0.000 0.995 295 S HN 0.683 nan 8.310 nan 0.000 0.468 296 S N 2.328 117.833 115.700 -0.325 0.000 2.661 296 S HA 0.392 4.862 4.470 -0.000 0.000 0.268 296 S C -1.794 172.374 174.600 -0.722 0.000 1.162 296 S CA -0.811 57.042 58.200 -0.577 0.000 0.817 296 S CB 0.861 63.608 63.200 -0.756 0.000 1.141 296 S HN 0.571 nan 8.310 nan 0.000 0.477 297 N N 1.445 119.773 118.700 -0.620 0.000 2.405 297 N HA 0.279 5.019 4.740 -0.000 0.000 0.260 297 N C -1.026 174.143 175.510 -0.568 0.000 1.152 297 N CA 0.226 53.007 53.050 -0.448 0.000 0.948 297 N CB -0.363 37.963 38.487 -0.268 0.000 1.111 297 N HN 0.508 nan 8.380 nan 0.000 0.485 298 F N 2.650 122.559 119.950 -0.069 0.000 2.805 298 F HA 0.301 4.828 4.527 -0.000 0.000 0.317 298 F C 0.101 175.868 175.800 -0.054 0.000 1.146 298 F CA -0.645 57.331 58.000 -0.039 0.000 1.265 298 F CB 0.164 39.156 39.000 -0.014 0.000 0.992 298 F HN 0.296 nan 8.300 nan 0.000 0.511 299 L N 1.330 122.569 121.223 0.027 0.000 2.307 299 L HA 0.566 4.905 4.340 -0.000 0.000 0.282 299 L C -0.105 176.752 176.870 -0.021 0.000 1.051 299 L CA -0.408 54.412 54.840 -0.034 0.000 0.804 299 L CB 1.109 43.107 42.059 -0.101 0.000 1.197 299 L HN 0.153 nan 8.230 nan 0.000 0.431 300 R N 5.667 126.166 120.500 -0.001 0.000 2.435 300 R HA 0.470 4.810 4.340 -0.000 0.000 0.308 300 R C -1.788 174.493 176.300 -0.031 0.000 0.975 300 R CA -0.585 55.530 56.100 0.024 0.000 0.867 300 R CB 0.766 31.140 30.300 0.122 0.000 1.171 300 R HN 0.740 nan 8.270 nan 0.000 0.470 301 L N 4.637 125.775 121.223 -0.142 0.000 2.270 301 L HA 0.337 4.677 4.340 -0.000 0.000 0.286 301 L C 0.690 177.547 176.870 -0.023 0.000 1.059 301 L CA 0.058 54.715 54.840 -0.306 0.000 0.839 301 L CB 1.314 42.939 42.059 -0.724 0.000 1.221 301 L HN 0.802 nan 8.230 nan 0.000 0.431 302 E N 1.270 121.565 120.200 0.159 0.000 3.596 302 E HA 0.171 4.521 4.350 -0.000 0.000 0.188 302 E C 0.234 177.005 176.600 0.285 0.000 1.232 302 E CA -0.182 56.359 56.400 0.236 0.000 1.460 302 E CB 0.831 30.694 29.700 0.273 0.000 1.513 302 E HN 0.483 nan 8.360 nan 0.000 0.530 303 N N 0.737 119.679 118.700 0.403 0.000 3.025 303 N HA 0.177 4.917 4.740 -0.000 0.000 0.315 303 N C -0.396 175.300 175.510 0.310 0.000 1.511 303 N CA 0.643 53.894 53.050 0.335 0.000 1.097 303 N CB 1.072 39.754 38.487 0.325 0.000 1.395 303 N HN 0.424 nan 8.380 nan 0.000 0.511 304 G N 0.023 108.967 108.800 0.240 0.000 2.305 304 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.287 304 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.287 304 G C 0.350 175.365 174.900 0.190 0.000 1.036 304 G CA 0.390 45.580 45.100 0.150 0.000 0.887 304 G HN 0.654 nan 8.290 nan 0.000 0.505 305 G N -1.938 106.933 108.800 0.118 0.000 2.672 305 G HA2 0.839 4.799 3.960 -0.000 0.000 0.292 305 G HA3 0.839 4.799 3.960 -0.000 0.000 0.292 305 G C -0.439 174.194 174.900 -0.445 0.000 1.375 305 G CA -0.080 44.727 45.100 -0.489 0.000 0.890 305 G HN 1.560 nan 8.290 nan 0.000 0.476 306 A N 0.537 123.127 122.820 -0.384 0.000 2.582 306 A HA 0.744 5.063 4.320 -0.000 0.000 0.336 306 A C -1.026 176.336 177.584 -0.369 0.000 1.445 306 A CA -0.449 51.420 52.037 -0.279 0.000 0.997 306 A CB -0.463 18.563 19.000 0.044 0.000 1.148 306 A HN 0.382 nan 8.150 nan 0.000 0.514 307 F N -0.292 119.666 119.950 0.014 0.000 2.541 307 F HA 0.459 4.986 4.527 -0.000 0.000 0.331 307 F C 0.653 176.422 175.800 -0.052 0.000 1.057 307 F CA -1.080 56.923 58.000 0.005 0.000 0.975 307 F CB 0.779 39.818 39.000 0.065 0.000 1.246 307 F HN 0.520 nan 8.300 nan 0.000 0.484 308 H N -0.118 119.094 119.070 0.237 0.000 2.848 308 H HA 0.067 4.623 4.556 -0.000 0.000 0.341 308 H C -0.212 175.187 175.328 0.118 0.000 1.060 308 H CA 0.156 56.277 56.048 0.122 0.000 1.444 308 H CB 0.307 30.092 29.762 0.039 0.000 1.446 308 H HN 0.339 nan 8.280 nan 0.000 0.583 309 D N 2.755 123.284 120.400 0.216 0.000 2.374 309 D HA 0.023 4.662 4.640 -0.000 0.000 0.240 309 D C 1.243 177.623 176.300 0.132 0.000 1.229 309 D CA -0.021 54.075 54.000 0.159 0.000 0.895 309 D CB 0.817 41.703 40.800 0.144 0.000 1.046 309 D HN 0.848 nan 8.370 nan 0.000 0.498 310 G N 3.797 112.646 108.800 0.082 0.000 2.422 310 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 310 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 310 G C 1.190 176.108 174.900 0.029 0.000 1.146 310 G CA 0.367 45.486 45.100 0.030 0.000 0.769 310 G HN 0.441 nan 8.290 nan 0.000 0.547 311 D N 0.237 120.665 120.400 0.047 0.000 2.149 311 D HA 0.000 4.640 4.640 -0.000 0.000 0.201 311 D C 2.644 178.985 176.300 0.069 0.000 0.972 311 D CA 0.295 54.321 54.000 0.043 0.000 0.835 311 D CB -0.173 40.650 40.800 0.038 0.000 0.966 311 D HN 0.279 nan 8.370 nan 0.000 0.476 312 L N 0.198 121.491 121.223 0.117 0.000 2.056 312 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 312 L C 2.388 179.411 176.870 0.255 0.000 1.078 312 L CA 0.615 55.573 54.840 0.196 0.000 0.749 312 L CB -0.196 42.011 42.059 0.245 0.000 0.901 312 L HN 0.026 nan 8.230 nan 0.000 0.433 313 I N -0.945 119.704 120.570 0.130 0.000 2.163 313 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 313 I C 2.439 178.512 176.117 -0.073 0.000 1.081 313 I CA 1.071 62.282 61.300 -0.148 0.000 1.353 313 I CB -0.225 37.608 38.000 -0.278 0.000 1.054 313 I HN -0.031 nan 8.210 nan 0.000 0.407 314 V N 0.807 120.699 119.914 -0.036 0.000 2.392 314 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 314 V C 2.052 178.149 176.094 0.004 0.000 1.059 314 V CA 1.918 64.204 62.300 -0.024 0.000 1.051 314 V CB -0.750 31.061 31.823 -0.020 0.000 0.658 314 V HN 0.415 nan 8.190 nan 0.000 0.455 315 D N -0.272 120.147 120.400 0.032 0.000 2.104 315 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 315 D C 2.298 178.627 176.300 0.049 0.000 0.994 315 D CA 1.168 55.193 54.000 0.042 0.000 0.830 315 D CB -0.211 40.623 40.800 0.057 0.000 0.959 315 D HN 0.389 nan 8.370 nan 0.000 0.452 316 E N 0.357 120.604 120.200 0.078 0.000 2.058 316 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 316 E C 1.365 177.983 176.600 0.029 0.000 0.997 316 E CA 0.235 56.682 56.400 0.079 0.000 0.801 316 E CB -0.279 29.506 29.700 0.142 0.000 0.746 316 E HN 0.335 nan 8.360 nan 0.000 0.450 320 I N 1.289 121.869 120.570 0.017 0.000 2.852 320 I HA 0.117 4.287 4.170 -0.000 0.000 0.264 320 I C 1.197 177.322 176.117 0.013 0.000 1.179 320 I CA 0.312 61.622 61.300 0.017 0.000 1.480 320 I CB 0.358 38.367 38.000 0.015 0.000 1.111 320 I HN 0.124 nan 8.210 nan 0.000 0.441 321 I N 1.879 122.455 120.570 0.011 0.000 2.692 321 I HA 0.080 4.250 4.170 -0.000 0.000 0.284 321 I C 0.466 176.589 176.117 0.010 0.000 1.159 321 I CA 0.353 61.659 61.300 0.009 0.000 1.423 321 I CB 0.607 38.611 38.000 0.007 0.000 1.380 321 I HN 0.175 nan 8.210 nan 0.000 0.580 322 Q N 6.142 125.948 119.800 0.010 0.000 2.372 322 Q HA 0.648 4.988 4.340 -0.000 0.000 0.273 322 Q C -1.274 174.732 176.000 0.009 0.000 1.078 322 Q CA -0.640 55.169 55.803 0.010 0.000 0.806 322 Q CB 2.061 30.805 28.738 0.010 0.000 1.332 322 Q HN 0.563 nan 8.270 nan 0.000 0.435 323 V N 0.000 119.919 119.914 0.008 0.000 2.409 323 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 323 V CA 0.000 62.305 62.300 0.008 0.000 1.235 323 V CB 0.000 31.827 31.823 0.007 0.000 1.184 323 V HN 0.000 nan 8.190 nan 0.000 0.556