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 2d23_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVSHAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.009 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 2 E N 0.094 120.286 120.200 -0.012 0.000 2.904 2 E HA 0.124 4.475 4.350 0.001 0.000 0.162 2 E C 0.348 176.937 176.600 -0.018 0.000 0.909 2 E CA 0.524 56.912 56.400 -0.020 0.000 1.368 2 E CB -0.064 29.624 29.700 -0.020 0.000 1.007 2 E HN 0.830 nan 8.360 nan 0.000 0.451 3 S N 0.171 115.867 115.700 -0.006 0.000 2.535 3 S HA 0.077 4.547 4.470 0.001 0.000 0.214 3 S C 0.882 175.505 174.600 0.039 0.000 0.980 3 S CA 0.460 58.669 58.200 0.015 0.000 0.907 3 S CB 0.055 63.263 63.200 0.013 0.000 0.790 3 S HN 0.333 nan 8.310 nan 0.000 0.510 4 T N -1.182 113.376 114.554 0.006 0.000 2.906 4 T HA 0.638 4.988 4.350 0.001 0.000 0.295 4 T C 0.906 175.554 174.700 -0.087 0.000 1.061 4 T CA -0.960 61.143 62.100 0.005 0.000 1.000 4 T CB 1.232 70.089 68.868 -0.019 0.000 1.103 4 T HN 0.012 nan 8.240 nan 0.000 0.486 5 L N 1.419 122.530 121.223 -0.186 0.000 1.989 5 L HA 0.028 4.369 4.340 0.001 0.000 0.211 5 L C 3.003 179.812 176.870 -0.100 0.000 1.071 5 L CA 2.012 56.641 54.840 -0.353 0.000 0.749 5 L CB -1.177 40.466 42.059 -0.693 0.000 0.890 5 L HN 0.980 nan 8.230 nan 0.000 0.431 6 G N -0.418 108.392 108.800 0.017 0.000 2.459 6 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 6 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 6 G C 1.772 176.725 174.900 0.088 0.000 1.183 6 G CA 0.950 46.139 45.100 0.149 0.000 0.776 6 G HN 0.484 nan 8.290 nan 0.000 0.552 7 A N 1.094 123.932 122.820 0.029 0.000 1.908 7 A HA 0.218 4.538 4.320 0.001 0.000 0.218 7 A C 2.816 180.407 177.584 0.011 0.000 1.181 7 A CA 2.421 54.469 52.037 0.018 0.000 0.627 7 A CB -0.785 18.215 19.000 -0.001 0.000 0.818 7 A HN 0.848 nan 8.150 nan 0.000 0.445 8 A N -0.245 122.567 122.820 -0.013 0.000 1.898 8 A HA 0.197 4.517 4.320 0.001 0.000 0.216 8 A C 2.499 180.086 177.584 0.006 0.000 1.181 8 A CA 1.976 53.998 52.037 -0.025 0.000 0.620 8 A CB -0.984 17.970 19.000 -0.078 0.000 0.819 8 A HN 1.063 nan 8.150 nan 0.000 0.442 9 A N -0.093 122.753 122.820 0.044 0.000 1.933 9 A HA 0.176 4.497 4.320 0.001 0.000 0.218 9 A C 2.434 180.056 177.584 0.064 0.000 1.175 9 A CA 1.892 53.980 52.037 0.084 0.000 0.628 9 A CB -0.937 18.177 19.000 0.189 0.000 0.814 9 A HN 1.095 nan 8.150 nan 0.000 0.444 10 A N -0.656 122.207 122.820 0.070 0.000 2.070 10 A HA -0.207 4.113 4.320 0.001 0.000 0.220 10 A C 1.995 179.600 177.584 0.035 0.000 1.159 10 A CA 1.555 53.628 52.037 0.060 0.000 0.656 10 A CB -0.532 18.503 19.000 0.058 0.000 0.800 10 A HN 0.682 nan 8.150 nan 0.000 0.453 11 Q N -0.030 119.784 119.800 0.023 0.000 2.226 11 Q HA -0.111 4.230 4.340 0.001 0.000 0.204 11 Q C 1.639 177.645 176.000 0.010 0.000 0.975 11 Q CA 1.523 57.334 55.803 0.012 0.000 0.866 11 Q CB -0.135 28.605 28.738 0.004 0.000 0.915 11 Q HN 0.802 nan 8.270 nan 0.000 0.440 12 S N -1.984 113.724 115.700 0.012 0.000 2.602 12 S HA 0.388 4.858 4.470 0.001 0.000 0.240 12 S C 0.991 175.596 174.600 0.009 0.000 0.992 12 S CA 0.019 58.222 58.200 0.006 0.000 0.971 12 S CB 0.927 64.127 63.200 -0.001 0.000 0.855 12 S HN 0.424 nan 8.310 nan 0.000 0.481 13 G N 1.407 110.220 108.800 0.022 0.000 2.143 13 G HA2 -0.262 3.699 3.960 0.001 0.000 0.248 13 G HA3 -0.262 3.699 3.960 0.001 0.000 0.248 13 G C 0.120 175.044 174.900 0.039 0.000 0.991 13 G CA 0.237 45.356 45.100 0.032 0.000 0.689 13 G HN 0.624 nan 8.290 nan 0.000 0.522 14 R N -1.330 119.187 120.500 0.028 0.000 2.981 14 R HA 0.779 5.120 4.340 0.001 0.000 0.228 14 R C -0.004 176.345 176.300 0.081 0.000 1.421 14 R CA -0.556 55.534 56.100 -0.016 0.000 1.073 14 R CB 0.811 31.047 30.300 -0.106 0.000 1.568 14 R HN 0.513 nan 8.270 nan 0.000 0.514 15 Y N -1.762 118.588 120.300 0.084 0.000 2.634 15 Y HA 0.693 5.243 4.550 0.001 0.000 0.340 15 Y C -1.386 174.619 175.900 0.176 0.000 1.058 15 Y CA -1.717 56.453 58.100 0.117 0.000 1.081 15 Y CB 1.205 39.710 38.460 0.074 0.000 1.295 15 Y HN 0.420 nan 8.280 nan 0.000 0.487 16 F N 1.334 121.521 119.950 0.394 0.000 2.579 16 F HA 0.784 5.311 4.527 0.001 0.000 0.325 16 F C -0.079 176.042 175.800 0.535 0.000 1.162 16 F CA -0.686 57.538 58.000 0.373 0.000 0.946 16 F CB 1.553 40.699 39.000 0.243 0.000 1.211 16 F HN 0.962 nan 8.300 nan 0.000 0.447 17 G N 2.036 111.047 108.800 0.352 0.000 3.013 17 G HA2 0.640 4.600 3.960 0.001 0.000 0.278 17 G HA3 0.640 4.600 3.960 0.001 0.000 0.278 17 G C -1.313 173.468 174.900 -0.197 0.000 1.353 17 G CA -0.659 44.569 45.100 0.213 0.000 1.043 17 G HN 0.634 nan 8.290 nan 0.000 0.523 18 T N -2.108 112.158 114.554 -0.481 0.000 2.754 18 T HA 0.642 4.992 4.350 0.001 0.000 0.296 18 T C -1.121 173.321 174.700 -0.430 0.000 1.205 18 T CA 0.189 61.892 62.100 -0.662 0.000 1.009 18 T CB 1.355 69.383 68.868 -1.399 0.000 1.368 18 T HN 1.275 nan 8.240 nan 0.000 0.509 19 A N 2.372 124.889 122.820 -0.506 0.000 2.276 19 A HA 0.719 5.040 4.320 0.001 0.000 0.316 19 A C -0.533 176.778 177.584 -0.455 0.000 1.229 19 A CA -0.601 51.038 52.037 -0.664 0.000 0.851 19 A CB 0.144 18.270 19.000 -1.457 0.000 1.165 19 A HN 0.648 nan 8.150 nan 0.000 0.513 20 I N 2.013 122.389 120.570 -0.324 0.000 2.377 20 I HA 0.473 4.643 4.170 0.001 0.000 0.293 20 I C 0.571 176.580 176.117 -0.180 0.000 0.987 20 I CA -0.242 60.938 61.300 -0.200 0.000 1.185 20 I CB 1.353 39.230 38.000 -0.205 0.000 1.341 20 I HN 0.709 nan 8.210 nan 0.000 0.455 21 A N 4.289 127.025 122.820 -0.141 0.000 2.260 21 A HA 0.437 4.757 4.320 0.001 0.000 0.314 21 A C 1.088 178.549 177.584 -0.205 0.000 1.257 21 A CA -0.247 51.679 52.037 -0.185 0.000 0.871 21 A CB 0.638 19.502 19.000 -0.227 0.000 1.166 21 A HN 0.842 nan 8.150 nan 0.000 0.522 22 S N 2.655 118.274 115.700 -0.135 0.000 2.387 22 S HA -0.146 4.324 4.470 0.001 0.000 0.230 22 S C 1.750 176.264 174.600 -0.144 0.000 1.035 22 S CA 1.667 59.798 58.200 -0.116 0.000 1.014 22 S CB -0.657 62.522 63.200 -0.034 0.000 0.836 22 S HN 1.229 nan 8.310 nan 0.000 0.466 23 G N 1.178 109.888 108.800 -0.149 0.000 2.559 23 G HA2 -0.019 3.942 3.960 0.001 0.000 0.216 23 G HA3 -0.019 3.942 3.960 0.001 0.000 0.216 23 G C 1.337 176.098 174.900 -0.231 0.000 1.126 23 G CA 0.324 45.333 45.100 -0.151 0.000 0.778 23 G HN 0.618 nan 8.290 nan 0.000 0.543 24 K N -0.320 119.856 120.400 -0.373 0.000 2.358 24 K HA 0.337 4.657 4.320 0.001 0.000 0.200 24 K C 1.688 178.040 176.600 -0.414 0.000 1.030 24 K CA -0.340 55.601 56.287 -0.576 0.000 1.097 24 K CB 0.329 32.056 32.500 -1.288 0.000 0.862 24 K HN 0.222 nan 8.250 nan 0.000 0.534 25 L N 0.332 121.389 121.223 -0.276 0.000 2.549 25 L HA -0.053 4.287 4.340 0.001 0.000 0.229 25 L C 1.884 178.704 176.870 -0.084 0.000 1.158 25 L CA 0.931 55.643 54.840 -0.214 0.000 0.842 25 L CB -0.268 41.633 42.059 -0.264 0.000 0.952 25 L HN 0.287 nan 8.230 nan 0.000 0.452 26 G N -1.730 107.020 108.800 -0.084 0.000 2.939 26 G HA2 -0.113 3.847 3.960 0.001 0.000 0.210 26 G HA3 -0.113 3.847 3.960 0.001 0.000 0.210 26 G C 0.276 175.164 174.900 -0.021 0.000 1.160 26 G CA -0.198 44.882 45.100 -0.033 0.000 0.770 26 G HN 0.149 nan 8.290 nan 0.000 0.543 27 D N 0.631 121.009 120.400 -0.037 0.000 2.365 27 D HA 0.291 4.931 4.640 0.001 0.000 0.237 27 D C 1.342 177.683 176.300 0.067 0.000 1.190 27 D CA -0.155 53.843 54.000 -0.003 0.000 0.867 27 D CB 1.284 42.054 40.800 -0.050 0.000 1.050 27 D HN -0.046 nan 8.370 nan 0.000 0.491 28 S N 2.702 118.433 115.700 0.051 0.000 2.370 28 S HA -0.190 4.281 4.470 0.001 0.000 0.226 28 S C 1.938 176.573 174.600 0.059 0.000 1.033 28 S CA 1.285 59.521 58.200 0.059 0.000 1.011 28 S CB -0.007 63.216 63.200 0.038 0.000 0.852 28 S HN 0.698 nan 8.310 nan 0.000 0.457 29 A N 0.341 123.192 122.820 0.051 0.000 1.902 29 A HA -0.112 4.209 4.320 0.001 0.000 0.217 29 A C 1.943 179.552 177.584 0.041 0.000 1.181 29 A CA 1.543 53.600 52.037 0.033 0.000 0.623 29 A CB -0.903 18.116 19.000 0.031 0.000 0.818 29 A HN 0.584 nan 8.150 nan 0.000 0.443 30 Y N 1.747 122.010 120.300 -0.062 0.000 2.089 30 Y HA -0.238 4.313 4.550 0.001 0.000 0.282 30 Y C 2.942 178.801 175.900 -0.069 0.000 1.139 30 Y CA 2.775 60.822 58.100 -0.088 0.000 1.123 30 Y CB -0.677 37.717 38.460 -0.110 0.000 0.980 30 Y HN 0.431 nan 8.280 nan 0.000 0.493 31 T N -3.650 110.960 114.554 0.093 0.000 2.915 31 T HA -0.135 4.216 4.350 0.001 0.000 0.269 31 T C 1.770 176.539 174.700 0.115 0.000 1.071 31 T CA 1.606 63.769 62.100 0.105 0.000 1.132 31 T CB -0.953 68.063 68.868 0.246 0.000 0.878 31 T HN 0.339 nan 8.240 nan 0.000 0.479 32 T N 2.080 116.656 114.554 0.038 0.000 2.708 32 T HA 0.108 4.459 4.350 0.001 0.000 0.266 32 T C 1.863 176.524 174.700 -0.064 0.000 1.037 32 T CA 1.311 63.413 62.100 0.003 0.000 1.146 32 T CB -0.383 68.475 68.868 -0.015 0.000 0.865 32 T HN 0.415 nan 8.240 nan 0.000 0.435 33 I N 1.137 121.610 120.570 -0.162 0.000 2.193 33 I HA -0.111 4.059 4.170 0.001 0.000 0.240 33 I C 2.943 178.933 176.117 -0.210 0.000 1.084 33 I CA 1.030 62.141 61.300 -0.315 0.000 1.365 33 I CB -0.516 37.131 38.000 -0.588 0.000 1.064 33 I HN 0.168 nan 8.210 nan 0.000 0.410 34 A N 0.979 123.724 122.820 -0.126 0.000 1.883 34 A HA -0.257 4.064 4.320 0.001 0.000 0.217 34 A C 2.506 180.306 177.584 0.360 0.000 1.186 34 A CA 2.551 54.690 52.037 0.170 0.000 0.624 34 A CB -0.974 17.955 19.000 -0.118 0.000 0.822 34 A HN 0.543 nan 8.150 nan 0.000 0.444 35 S N -0.567 115.315 115.700 0.303 0.000 2.402 35 S HA -0.155 4.315 4.470 0.001 0.000 0.229 35 S C 2.028 176.630 174.600 0.004 0.000 1.021 35 S CA 1.169 59.435 58.200 0.110 0.000 0.974 35 S CB -0.389 62.832 63.200 0.035 0.000 0.800 35 S HN 0.646 nan 8.310 nan 0.000 0.484 36 R N 1.044 121.531 120.500 -0.021 0.000 2.075 36 R HA 0.042 4.382 4.340 0.001 0.000 0.226 36 R C 1.731 177.967 176.300 -0.106 0.000 1.114 36 R CA 1.307 57.368 56.100 -0.065 0.000 0.972 36 R CB -0.045 30.210 30.300 -0.075 0.000 0.869 36 R HN 0.376 nan 8.270 nan 0.000 0.437 37 E N -0.463 119.602 120.200 -0.224 0.000 2.340 37 E HA 0.038 4.389 4.350 0.001 0.000 0.194 37 E C -0.259 176.012 176.600 -0.548 0.000 0.996 37 E CA 0.443 56.571 56.400 -0.452 0.000 0.869 37 E CB 0.310 29.562 29.700 -0.747 0.000 0.835 37 E HN 0.133 nan 8.360 nan 0.000 0.493 38 F N 1.546 121.575 119.950 0.132 0.000 2.522 38 F HA 0.258 4.785 4.527 0.001 0.000 0.324 38 F C 0.953 176.817 175.800 0.106 0.000 1.077 38 F CA -1.159 56.947 58.000 0.175 0.000 0.944 38 F CB 0.938 40.049 39.000 0.185 0.000 1.175 38 F HN -0.185 nan 8.300 nan 0.000 0.468 39 N N 0.849 119.739 118.700 0.316 0.000 2.238 39 N HA 0.331 5.072 4.740 0.001 0.000 0.235 39 N C -0.764 174.793 175.510 0.079 0.000 1.209 39 N CA -0.097 53.045 53.050 0.153 0.000 0.879 39 N CB 0.790 39.353 38.487 0.126 0.000 1.136 39 N HN 0.586 nan 8.380 nan 0.000 0.517 40 M N 0.431 120.084 119.600 0.087 0.000 2.371 40 M HA 0.554 5.035 4.480 0.001 0.000 0.287 40 M C -2.230 174.029 176.300 -0.069 0.000 1.149 40 M CA -0.741 54.486 55.300 -0.122 0.000 0.929 40 M CB 2.346 34.694 32.600 -0.420 0.000 1.683 40 M HN -0.159 nan 8.290 nan 0.000 0.470 41 V N 3.048 122.894 119.914 -0.112 0.000 2.735 41 V HA 0.817 4.937 4.120 0.001 0.000 0.310 41 V C -0.700 175.314 176.094 -0.134 0.000 1.061 41 V CA -0.501 61.749 62.300 -0.085 0.000 0.913 41 V CB 2.585 34.424 31.823 0.026 0.000 1.005 41 V HN 0.895 nan 8.190 nan 0.000 0.428 42 T N 3.244 117.707 114.554 -0.152 0.000 2.848 42 T HA 0.641 4.991 4.350 0.001 0.000 0.285 42 T C -0.070 174.534 174.700 -0.160 0.000 0.995 42 T CA -0.286 61.728 62.100 -0.143 0.000 0.970 42 T CB 1.657 70.470 68.868 -0.093 0.000 0.976 42 T HN 0.950 nan 8.240 nan 0.000 0.441 43 A N 2.024 124.796 122.820 -0.080 0.000 2.451 43 A HA 0.270 4.591 4.320 0.001 0.000 0.266 43 A C 1.357 178.914 177.584 -0.044 0.000 1.119 43 A CA -0.302 51.707 52.037 -0.048 0.000 0.786 43 A CB -0.025 18.996 19.000 0.035 0.000 1.061 43 A HN 1.061 nan 8.150 nan 0.000 0.503 44 E N 2.082 122.177 120.200 -0.175 0.000 2.153 44 E HA -0.178 4.173 4.350 0.001 0.000 0.194 44 E C 0.667 177.330 176.600 0.104 0.000 0.988 44 E CA 1.756 58.026 56.400 -0.217 0.000 0.811 44 E CB 0.089 29.570 29.700 -0.365 0.000 0.746 44 E HN 0.817 nan 8.360 nan 0.000 0.466 45 N N -1.321 117.439 118.700 0.100 0.000 1.983 45 N HA -0.030 4.711 4.740 0.001 0.000 0.234 45 N C 0.788 176.392 175.510 0.157 0.000 1.339 45 N CA 0.182 53.327 53.050 0.159 0.000 0.826 45 N CB 0.232 38.788 38.487 0.116 0.000 1.156 45 N HN -0.034 nan 8.380 nan 0.000 0.468 46 E N 0.977 121.253 120.200 0.127 0.000 2.333 46 E HA 0.016 4.366 4.350 0.001 0.000 0.200 46 E C 1.145 177.881 176.600 0.226 0.000 1.010 46 E CA 1.054 57.546 56.400 0.154 0.000 0.841 46 E CB -0.073 29.706 29.700 0.133 0.000 0.757 46 E HN 0.381 nan 8.360 nan 0.000 0.508 47 M N -0.278 119.465 119.600 0.239 0.000 2.405 47 M HA 0.147 4.627 4.480 0.001 0.000 0.292 47 M C -0.087 176.419 176.300 0.343 0.000 1.111 47 M CA -0.112 55.383 55.300 0.326 0.000 0.979 47 M CB 0.641 33.405 32.600 0.273 0.000 1.426 47 M HN -0.164 nan 8.290 nan 0.000 0.509 48 K N 0.548 121.115 120.400 0.278 0.000 2.149 48 K HA 0.254 4.574 4.320 0.001 0.000 0.245 48 K C 1.083 177.877 176.600 0.323 0.000 1.024 48 K CA -0.263 56.197 56.287 0.289 0.000 0.899 48 K CB 1.223 33.900 32.500 0.295 0.000 1.038 48 K HN 0.071 nan 8.250 nan 0.000 0.496 49 I N 1.342 122.087 120.570 0.291 0.000 2.118 49 I HA -0.363 3.808 4.170 0.001 0.000 0.241 49 I C 2.103 178.249 176.117 0.049 0.000 1.070 49 I CA 1.631 62.973 61.300 0.071 0.000 1.327 49 I CB -0.510 37.352 38.000 -0.230 0.000 1.034 49 I HN 0.767 nan 8.210 nan 0.000 0.405 50 D N 1.739 122.139 120.400 -0.001 0.000 2.178 50 D HA -0.179 4.462 4.640 0.001 0.000 0.201 50 D C 1.980 178.324 176.300 0.072 0.000 0.980 50 D CA 1.595 55.590 54.000 -0.008 0.000 0.842 50 D CB -0.294 40.471 40.800 -0.058 0.000 0.948 50 D HN 0.386 nan 8.370 nan 0.000 0.472 51 A N 0.486 123.376 122.820 0.117 0.000 2.016 51 A HA -0.023 4.297 4.320 0.001 0.000 0.217 51 A C 2.322 179.988 177.584 0.137 0.000 1.162 51 A CA 1.907 54.018 52.037 0.124 0.000 0.662 51 A CB -0.661 18.427 19.000 0.146 0.000 0.812 51 A HN 0.464 nan 8.150 nan 0.000 0.450 52 T N -3.323 111.362 114.554 0.219 0.000 3.037 52 T HA 0.162 4.513 4.350 0.001 0.000 0.252 52 T C 0.652 175.447 174.700 0.159 0.000 1.073 52 T CA 0.843 63.061 62.100 0.196 0.000 1.091 52 T CB 0.062 69.194 68.868 0.441 0.000 0.935 52 T HN 0.438 nan 8.240 nan 0.000 0.488 53 E N 2.038 122.385 120.200 0.245 0.000 3.386 53 E HA 0.244 4.595 4.350 0.001 0.000 0.236 53 E C -2.067 174.674 176.600 0.234 0.000 1.227 53 E CA -2.063 54.403 56.400 0.109 0.000 0.970 53 E CB 1.383 31.235 29.700 0.255 0.000 1.343 53 E HN 0.096 nan 8.360 nan 0.000 0.397 54 P HA -0.154 nan 4.420 nan 0.000 0.218 54 P C -0.197 177.255 177.300 0.254 0.000 1.148 54 P CA 1.013 64.211 63.100 0.163 0.000 0.822 54 P CB 0.382 32.107 31.700 0.041 0.000 0.784 55 Q N -1.029 118.734 119.800 -0.062 0.000 2.323 55 Q HA 0.384 4.724 4.340 0.001 0.000 0.271 55 Q C -0.357 175.032 176.000 -1.019 0.000 1.048 55 Q CA -0.717 54.797 55.803 -0.482 0.000 0.792 55 Q CB 1.900 30.449 28.738 -0.315 0.000 1.280 55 Q HN -0.077 nan 8.270 nan 0.000 0.441 56 R N 0.888 120.161 120.500 -2.044 0.000 2.494 56 R HA 0.135 4.475 4.340 0.001 0.000 0.291 56 R C 0.751 176.495 176.300 -0.927 0.000 0.953 56 R CA 1.839 56.784 56.100 -1.925 0.000 1.098 56 R CB -0.297 28.983 30.300 -1.701 0.000 0.911 56 R HN 0.928 nan 8.270 nan 0.000 0.407 57 G N 2.984 111.309 108.800 -0.791 0.000 2.184 57 G HA2 -0.267 3.694 3.960 0.001 0.000 0.264 57 G HA3 -0.267 3.694 3.960 0.001 0.000 0.264 57 G C -0.234 174.363 174.900 -0.504 0.000 0.975 57 G CA 0.336 45.128 45.100 -0.514 0.000 0.642 57 G HN 0.589 nan 8.290 nan 0.000 0.536 58 Q N 0.232 119.657 119.800 -0.624 0.000 2.509 58 Q HA 0.564 4.904 4.340 0.001 0.000 0.236 58 Q C -0.458 175.256 176.000 -0.477 0.000 1.073 58 Q CA -0.357 55.201 55.803 -0.408 0.000 0.867 58 Q CB 0.345 28.896 28.738 -0.312 0.000 1.181 58 Q HN 0.329 nan 8.270 nan 0.000 0.526 59 F N 1.629 121.450 119.950 -0.216 0.000 2.384 59 F HA 0.287 4.814 4.527 0.001 0.000 0.338 59 F C 1.030 176.498 175.800 -0.552 0.000 1.103 59 F CA -0.414 57.325 58.000 -0.435 0.000 1.157 59 F CB 0.873 39.544 39.000 -0.548 0.000 1.167 59 F HN 0.245 nan 8.300 nan 0.000 0.529 60 N N 2.884 121.291 118.700 -0.489 0.000 2.540 60 N HA 0.229 4.970 4.740 0.001 0.000 0.275 60 N C -0.970 174.282 175.510 -0.430 0.000 1.053 60 N CA -0.388 52.453 53.050 -0.348 0.000 0.876 60 N CB 0.437 38.842 38.487 -0.137 0.000 1.284 60 N HN 0.345 nan 8.380 nan 0.000 0.518 61 F N 1.147 121.080 119.950 -0.028 0.000 2.647 61 F HA 0.260 4.788 4.527 0.001 0.000 0.300 61 F C 2.124 177.977 175.800 0.088 0.000 1.106 61 F CA -0.278 57.707 58.000 -0.024 0.000 1.313 61 F CB 0.079 38.823 39.000 -0.427 0.000 1.007 61 F HN 0.416 nan 8.300 nan 0.000 0.536 62 S N 1.173 116.979 115.700 0.177 0.000 2.351 62 S HA -0.237 4.233 4.470 0.001 0.000 0.220 62 S C 2.473 177.184 174.600 0.184 0.000 1.035 62 S CA 1.823 60.120 58.200 0.161 0.000 1.031 62 S CB -0.284 62.973 63.200 0.095 0.000 0.928 62 S HN 0.367 nan 8.310 nan 0.000 0.433 63 A N 0.581 123.499 122.820 0.163 0.000 1.930 63 A HA 0.207 4.528 4.320 0.001 0.000 0.217 63 A C 2.357 180.068 177.584 0.213 0.000 1.175 63 A CA 1.673 53.801 52.037 0.153 0.000 0.627 63 A CB -1.561 17.508 19.000 0.115 0.000 0.815 63 A HN 0.655 nan 8.150 nan 0.000 0.443 64 G N -0.137 108.844 108.800 0.302 0.000 2.418 64 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 64 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 64 G C 1.104 176.274 174.900 0.450 0.000 1.158 64 G CA 1.210 46.545 45.100 0.392 0.000 0.771 64 G HN 0.440 nan 8.290 nan 0.000 0.545 65 D N -0.138 120.557 120.400 0.492 0.000 2.178 65 D HA -0.027 4.614 4.640 0.001 0.000 0.202 65 D C 2.411 178.937 176.300 0.377 0.000 0.974 65 D CA 0.427 54.721 54.000 0.490 0.000 0.841 65 D CB -0.159 40.887 40.800 0.411 0.000 0.953 65 D HN 0.253 nan 8.370 nan 0.000 0.478 66 R N 0.300 120.967 120.500 0.279 0.000 2.096 66 R HA -0.084 4.257 4.340 0.001 0.000 0.235 66 R C 2.054 178.490 176.300 0.227 0.000 1.127 66 R CA 0.793 57.023 56.100 0.216 0.000 0.968 66 R CB -0.073 30.318 30.300 0.151 0.000 0.861 66 R HN 0.017 nan 8.270 nan 0.000 0.440 67 V N -0.196 119.845 119.914 0.212 0.000 2.323 67 V HA -0.234 3.887 4.120 0.001 0.000 0.244 67 V C 1.862 178.097 176.094 0.234 0.000 1.041 67 V CA 1.749 64.160 62.300 0.184 0.000 1.025 67 V CB -0.691 31.198 31.823 0.110 0.000 0.656 67 V HN 0.383 nan 8.190 nan 0.000 0.451 68 Y N 2.032 122.411 120.300 0.132 0.000 2.128 68 Y HA -0.266 4.285 4.550 0.001 0.000 0.284 68 Y C 2.512 178.481 175.900 0.116 0.000 1.154 68 Y CA 2.136 60.287 58.100 0.085 0.000 1.149 68 Y CB -0.391 38.130 38.460 0.102 0.000 0.976 68 Y HN 0.294 nan 8.280 nan 0.000 0.505 69 N N -0.529 118.239 118.700 0.114 0.000 2.142 69 N HA -0.232 4.509 4.740 0.001 0.000 0.186 69 N C 1.617 177.112 175.510 -0.025 0.000 1.023 69 N CA 1.585 54.637 53.050 0.002 0.000 0.852 69 N CB -1.152 37.431 38.487 0.161 0.000 0.998 69 N HN 0.636 nan 8.380 nan 0.000 0.424 70 W N 2.213 123.476 121.300 -0.063 0.000 2.338 70 W HA -0.110 4.551 4.660 0.001 0.000 0.304 70 W C 2.396 178.852 176.519 -0.105 0.000 1.212 70 W CA 2.285 59.597 57.345 -0.054 0.000 1.264 70 W CB -0.351 29.102 29.460 -0.012 0.000 1.142 70 W HN 0.083 nan 8.180 nan 0.000 0.512 71 A N -0.110 122.744 122.820 0.056 0.000 1.851 71 A HA -0.225 4.096 4.320 0.001 0.000 0.216 71 A C 2.024 179.402 177.584 -0.343 0.000 1.195 71 A CA 2.764 54.719 52.037 -0.136 0.000 0.622 71 A CB -1.371 17.592 19.000 -0.061 0.000 0.831 71 A HN 0.174 nan 8.150 nan 0.000 0.444 72 V N 0.211 119.874 119.914 -0.418 0.000 2.332 72 V HA -0.266 3.854 4.120 0.001 0.000 0.248 72 V C 2.649 178.567 176.094 -0.294 0.000 1.055 72 V CA 2.028 64.103 62.300 -0.375 0.000 1.038 72 V CB -0.854 30.680 31.823 -0.481 0.000 0.651 72 V HN 0.544 nan 8.190 nan 0.000 0.450 73 Q N -0.007 119.611 119.800 -0.302 0.000 2.291 73 Q HA -0.089 4.252 4.340 0.001 0.000 0.206 73 Q C 1.491 177.294 176.000 -0.328 0.000 0.976 73 Q CA 0.945 56.592 55.803 -0.260 0.000 0.875 73 Q CB -0.371 28.235 28.738 -0.220 0.000 0.927 73 Q HN 0.654 nan 8.270 nan 0.000 0.450 74 N N -0.680 117.732 118.700 -0.480 0.000 2.238 74 N HA 0.112 4.853 4.740 0.001 0.000 0.222 74 N C 0.278 175.587 175.510 -0.335 0.000 1.133 74 N CA 0.621 53.369 53.050 -0.504 0.000 0.854 74 N CB 1.247 39.171 38.487 -0.938 0.000 1.041 74 N HN 0.287 nan 8.380 nan 0.000 0.510 75 G N 1.286 109.935 108.800 -0.252 0.000 2.147 75 G HA2 -0.285 3.676 3.960 0.001 0.000 0.244 75 G HA3 -0.285 3.676 3.960 0.001 0.000 0.244 75 G C -0.181 174.639 174.900 -0.134 0.000 1.005 75 G CA 0.274 45.276 45.100 -0.163 0.000 0.713 75 G HN 0.266 nan 8.290 nan 0.000 0.515 76 K N 0.094 120.393 120.400 -0.169 0.000 2.207 76 K HA 0.642 4.963 4.320 0.001 0.000 0.255 76 K C 0.601 177.117 176.600 -0.140 0.000 0.941 76 K CA -0.635 55.584 56.287 -0.114 0.000 0.825 76 K CB 1.665 34.121 32.500 -0.073 0.000 1.119 76 K HN 0.337 nan 8.250 nan 0.000 0.430 77 Q N 0.367 120.088 119.800 -0.131 0.000 2.308 77 Q HA 0.504 4.845 4.340 0.001 0.000 0.207 77 Q C -0.659 175.237 176.000 -0.172 0.000 1.035 77 Q CA -0.798 54.916 55.803 -0.147 0.000 1.008 77 Q CB 1.126 29.768 28.738 -0.159 0.000 1.168 77 Q HN 0.243 nan 8.270 nan 0.000 0.565 78 V N 0.659 120.471 119.914 -0.169 0.000 2.789 78 V HA 0.408 4.528 4.120 0.001 0.000 0.311 78 V C -0.872 175.049 176.094 -0.288 0.000 1.073 78 V CA -0.785 61.400 62.300 -0.192 0.000 0.921 78 V CB 2.031 33.796 31.823 -0.097 0.000 1.009 78 V HN 0.628 nan 8.190 nan 0.000 0.426 79 R N 2.265 122.583 120.500 -0.303 0.000 2.295 79 R HA 0.561 4.902 4.340 0.001 0.000 0.324 79 R C 0.328 176.356 176.300 -0.453 0.000 0.968 79 R CA -0.459 55.441 56.100 -0.334 0.000 0.837 79 R CB 1.809 31.983 30.300 -0.210 0.000 1.133 79 R HN 0.913 nan 8.270 nan 0.000 0.450 80 G N 1.563 109.849 108.800 -0.857 0.000 2.380 80 G HA2 0.145 4.105 3.960 0.001 0.000 0.262 80 G HA3 0.145 4.105 3.960 0.001 0.000 0.262 80 G C -0.856 173.867 174.900 -0.296 0.000 1.243 80 G CA 0.099 44.396 45.100 -1.338 0.000 0.865 80 G HN 0.665 nan 8.290 nan 0.000 0.513 81 H N 0.137 119.141 119.070 -0.110 0.000 3.096 81 H HA 0.541 5.098 4.556 0.001 0.000 0.335 81 H C -0.736 174.653 175.328 0.101 0.000 0.990 81 H CA -0.331 55.730 56.048 0.022 0.000 1.393 81 H CB 1.493 31.241 29.762 -0.023 0.000 1.742 81 H HN 0.511 nan 8.280 nan 0.000 0.501 82 T N 5.553 119.984 114.554 -0.204 0.000 2.903 82 T HA 0.240 4.590 4.350 0.001 0.000 0.299 82 T C 1.075 175.778 174.700 0.005 0.000 1.093 82 T CA -0.780 61.144 62.100 -0.292 0.000 1.002 82 T CB 1.571 69.776 68.868 -1.105 0.000 1.127 82 T HN 0.542 nan 8.240 nan 0.000 0.488 83 L N 0.777 122.028 121.223 0.046 0.000 2.162 83 L HA 0.457 4.797 4.340 0.001 0.000 0.205 83 L C 1.095 178.103 176.870 0.231 0.000 1.086 83 L CA 0.450 55.342 54.840 0.087 0.000 0.778 83 L CB -0.002 41.964 42.059 -0.156 0.000 0.928 83 L HN 0.675 nan 8.230 nan 0.000 0.446 84 A N -0.005 122.938 122.820 0.205 0.000 2.476 84 A HA 0.567 4.887 4.320 0.001 0.000 0.280 84 A C -1.691 176.228 177.584 0.559 0.000 1.081 84 A CA -0.460 51.797 52.037 0.366 0.000 0.753 84 A CB 0.682 19.903 19.000 0.369 0.000 1.248 84 A HN 0.251 nan 8.150 nan 0.000 0.424 85 W N 2.894 124.269 121.300 0.125 0.000 3.059 85 W HA 0.356 5.017 4.660 0.001 0.000 0.329 85 W C 0.155 176.666 176.519 -0.013 0.000 1.246 85 W CA -0.301 57.133 57.345 0.149 0.000 1.190 85 W CB -0.120 29.375 29.460 0.057 0.000 1.423 85 W HN 0.824 nan 8.180 nan 0.000 0.571 86 H N 0.048 119.061 119.070 -0.096 0.000 2.462 86 H HA 0.062 4.618 4.556 0.001 0.000 0.292 86 H C 0.384 175.357 175.328 -0.592 0.000 1.049 86 H CA 1.322 57.181 56.048 -0.314 0.000 1.334 86 H CB -0.555 29.109 29.762 -0.164 0.000 1.404 86 H HN 0.209 nan 8.280 nan 0.000 0.544 87 S N 0.270 114.862 115.700 -1.847 0.000 2.601 87 S HA 0.102 4.573 4.470 0.001 0.000 0.271 87 S C 0.150 173.844 174.600 -1.511 0.000 1.305 87 S CA -0.275 56.886 58.200 -1.732 0.000 1.022 87 S CB 0.448 62.481 63.200 -1.944 0.000 0.940 87 S HN 0.581 nan 8.310 nan 0.000 0.525 88 Q N 0.648 119.954 119.800 -0.822 0.000 2.453 88 Q HA -0.211 4.130 4.340 0.001 0.000 0.294 88 Q C -0.513 175.249 176.000 -0.397 0.000 1.295 88 Q CA 0.707 56.231 55.803 -0.466 0.000 0.853 88 Q CB -1.313 27.264 28.738 -0.270 0.000 1.193 88 Q HN 0.692 nan 8.270 nan 0.000 0.461 89 Q N 1.055 120.581 119.800 -0.457 0.000 2.299 89 Q HA 0.355 4.695 4.340 0.001 0.000 0.246 89 Q C -1.945 173.815 176.000 -0.401 0.000 0.935 89 Q CA -1.732 53.809 55.803 -0.437 0.000 0.887 89 Q CB 0.659 29.116 28.738 -0.468 0.000 1.223 89 Q HN 0.121 nan 8.270 nan 0.000 0.439 90 P HA -0.053 nan 4.420 nan 0.000 0.272 90 P C 0.377 177.377 177.300 -0.500 0.000 1.230 90 P CA 0.074 62.913 63.100 -0.434 0.000 0.788 90 P CB 0.685 32.113 31.700 -0.454 0.000 0.949 91 G N 2.378 111.028 108.800 -0.249 0.000 2.599 91 G HA2 -0.280 3.680 3.960 0.001 0.000 0.219 91 G HA3 -0.280 3.680 3.960 0.001 0.000 0.219 91 G C 1.415 176.217 174.900 -0.163 0.000 1.193 91 G CA 0.894 45.899 45.100 -0.158 0.000 0.778 91 G HN 0.762 nan 8.290 nan 0.000 0.589 92 W N 0.242 121.490 121.300 -0.087 0.000 2.321 92 W HA -0.111 4.549 4.660 0.001 0.000 0.306 92 W C 2.223 178.689 176.519 -0.088 0.000 1.217 92 W CA 1.357 58.652 57.345 -0.084 0.000 1.257 92 W CB -1.083 28.324 29.460 -0.089 0.000 1.145 92 W HN 0.305 nan 8.180 nan 0.000 0.509 93 M N 1.425 120.379 119.600 -1.075 0.000 2.254 93 M HA -0.174 4.307 4.480 0.001 0.000 0.265 93 M C 2.428 178.455 176.300 -0.455 0.000 1.066 93 M CA 1.739 56.477 55.300 -0.937 0.000 1.123 93 M CB -0.268 31.487 32.600 -1.408 0.000 1.388 93 M HN 0.046 nan 8.290 nan 0.000 0.425 94 Q N -0.272 119.287 119.800 -0.401 0.000 2.226 94 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 94 Q C 1.759 177.661 176.000 -0.164 0.000 0.975 94 Q CA 1.786 57.432 55.803 -0.260 0.000 0.866 94 Q CB -0.080 28.520 28.738 -0.230 0.000 0.915 94 Q HN 0.667 nan 8.270 nan 0.000 0.440 95 S N -0.679 114.948 115.700 -0.121 0.000 2.631 95 S HA 0.174 4.645 4.470 0.001 0.000 0.217 95 S C 0.597 175.174 174.600 -0.038 0.000 0.958 95 S CA -0.263 57.901 58.200 -0.060 0.000 0.920 95 S CB 0.004 63.192 63.200 -0.021 0.000 0.776 95 S HN 0.095 nan 8.310 nan 0.000 0.517 96 L N 1.246 122.434 121.223 -0.057 0.000 2.387 96 L HA 0.672 5.013 4.340 0.001 0.000 0.266 96 L C 0.095 176.933 176.870 -0.053 0.000 1.059 96 L CA -0.529 54.295 54.840 -0.026 0.000 0.801 96 L CB 1.659 43.722 42.059 0.007 0.000 1.223 96 L HN 0.172 nan 8.230 nan 0.000 0.456 97 S N -1.018 114.662 115.700 -0.033 0.000 2.636 97 S HA 0.693 5.163 4.470 0.001 0.000 0.268 97 S C -0.139 174.446 174.600 -0.025 0.000 1.159 97 S CA -0.071 58.102 58.200 -0.045 0.000 0.815 97 S CB 1.441 64.614 63.200 -0.045 0.000 1.130 97 S HN 1.168 nan 8.310 nan 0.000 0.471 98 G N 2.108 110.890 108.800 -0.029 0.000 2.578 98 G HA2 -0.314 3.647 3.960 0.001 0.000 0.275 98 G HA3 -0.314 3.647 3.960 0.001 0.000 0.275 98 G C 1.113 176.016 174.900 0.005 0.000 1.271 98 G CA 1.179 46.273 45.100 -0.010 0.000 0.941 98 G HN 1.792 nan 8.290 nan 0.000 0.564 99 S N -0.995 114.715 115.700 0.017 0.000 2.402 99 S HA -0.199 4.272 4.470 0.001 0.000 0.233 99 S C 2.478 177.099 174.600 0.035 0.000 1.030 99 S CA 3.193 61.410 58.200 0.029 0.000 1.003 99 S CB -1.223 61.994 63.200 0.028 0.000 0.813 99 S HN 2.174 nan 8.310 nan 0.000 0.477 100 T N 0.046 114.618 114.554 0.030 0.000 2.915 100 T HA 0.070 4.420 4.350 0.001 0.000 0.269 100 T C 1.656 176.390 174.700 0.056 0.000 1.071 100 T CA 0.986 63.112 62.100 0.043 0.000 1.132 100 T CB -0.550 68.340 68.868 0.038 0.000 0.878 100 T HN 0.298 nan 8.240 nan 0.000 0.479 101 L N 1.086 122.328 121.223 0.032 0.000 2.068 101 L HA 0.336 4.676 4.340 0.001 0.000 0.204 101 L C 2.680 179.574 176.870 0.039 0.000 1.076 101 L CA 1.473 56.324 54.840 0.017 0.000 0.753 101 L CB -0.896 41.139 42.059 -0.041 0.000 0.910 101 L HN 0.104 nan 8.230 nan 0.000 0.439 102 R N -0.242 120.285 120.500 0.044 0.000 2.091 102 R HA -0.229 4.112 4.340 0.001 0.000 0.238 102 R C 2.352 178.709 176.300 0.096 0.000 1.136 102 R CA 1.980 58.126 56.100 0.078 0.000 0.959 102 R CB -0.743 29.604 30.300 0.080 0.000 0.856 102 R HN 0.510 nan 8.270 nan 0.000 0.437 103 Q N -0.325 119.526 119.800 0.086 0.000 2.119 103 Q HA 0.052 4.392 4.340 0.001 0.000 0.201 103 Q C 1.834 177.910 176.000 0.126 0.000 0.972 103 Q CA 2.065 57.923 55.803 0.093 0.000 0.847 103 Q CB -0.433 28.349 28.738 0.073 0.000 0.903 103 Q HN 0.415 nan 8.270 nan 0.000 0.433 104 A N 0.237 123.145 122.820 0.146 0.000 1.930 104 A HA -0.151 4.169 4.320 0.001 0.000 0.217 104 A C 2.128 179.857 177.584 0.241 0.000 1.175 104 A CA 1.565 53.738 52.037 0.226 0.000 0.627 104 A CB -0.667 18.498 19.000 0.274 0.000 0.815 104 A HN 0.587 nan 8.150 nan 0.000 0.443 105 M N -0.380 119.322 119.600 0.171 0.000 2.086 105 M HA -0.106 4.374 4.480 0.001 0.000 0.261 105 M C 1.915 178.339 176.300 0.207 0.000 1.067 105 M CA 1.857 57.269 55.300 0.186 0.000 1.116 105 M CB -0.319 32.377 32.600 0.160 0.000 1.348 105 M HN 0.423 nan 8.290 nan 0.000 0.407 106 I N 0.449 121.116 120.570 0.162 0.000 2.226 106 I HA -0.313 3.857 4.170 0.001 0.000 0.245 106 I C 1.805 178.002 176.117 0.134 0.000 1.100 106 I CA 1.228 62.602 61.300 0.123 0.000 1.374 106 I CB -0.761 37.297 38.000 0.096 0.000 1.057 106 I HN 0.313 nan 8.210 nan 0.000 0.413 107 D N -0.247 120.260 120.400 0.179 0.000 2.144 107 D HA -0.233 4.407 4.640 0.001 0.000 0.199 107 D C 1.987 178.481 176.300 0.324 0.000 0.984 107 D CA 1.488 55.617 54.000 0.214 0.000 0.834 107 D CB -0.367 40.561 40.800 0.214 0.000 0.955 107 D HN 0.435 nan 8.370 nan 0.000 0.465 108 H N 0.789 120.032 119.070 0.288 0.000 2.321 108 H HA -0.003 4.554 4.556 0.001 0.000 0.300 108 H C 2.187 177.628 175.328 0.189 0.000 1.087 108 H CA 1.211 57.484 56.048 0.375 0.000 1.319 108 H CB -0.321 29.627 29.762 0.309 0.000 1.379 108 H HN 0.048 nan 8.280 nan 0.000 0.501 109 I N 0.266 120.865 120.570 0.048 0.000 2.127 109 I HA -0.328 3.842 4.170 0.001 0.000 0.241 109 I C 2.084 178.076 176.117 -0.208 0.000 1.075 109 I CA 1.403 62.617 61.300 -0.143 0.000 1.334 109 I CB -0.378 37.571 38.000 -0.084 0.000 1.040 109 I HN 0.371 nan 8.210 nan 0.000 0.405 110 N N 1.129 119.767 118.700 -0.103 0.000 2.149 110 N HA -0.133 4.608 4.740 0.001 0.000 0.188 110 N C 1.875 177.264 175.510 -0.201 0.000 1.019 110 N CA 1.703 54.682 53.050 -0.117 0.000 0.857 110 N CB -0.645 37.819 38.487 -0.039 0.000 0.997 110 N HN 0.468 nan 8.380 nan 0.000 0.426 111 G N 0.891 109.530 108.800 -0.268 0.000 2.404 111 G HA2 -0.140 3.821 3.960 0.001 0.000 0.215 111 G HA3 -0.140 3.821 3.960 0.001 0.000 0.215 111 G C 1.765 176.295 174.900 -0.616 0.000 1.174 111 G CA 0.756 45.445 45.100 -0.686 0.000 0.780 111 G HN 0.184 nan 8.290 nan 0.000 0.537 112 V N 1.117 120.756 119.914 -0.459 0.000 2.270 112 V HA -0.147 3.973 4.120 0.001 0.000 0.245 112 V C 2.899 178.891 176.094 -0.170 0.000 1.043 112 V CA 1.982 64.173 62.300 -0.182 0.000 1.014 112 V CB -0.501 31.217 31.823 -0.174 0.000 0.645 112 V HN 0.324 nan 8.190 nan 0.000 0.447 113 M N 0.454 119.858 119.600 -0.326 0.000 2.213 113 M HA -0.081 4.399 4.480 0.001 0.000 0.263 113 M C 2.271 178.494 176.300 -0.129 0.000 1.062 113 M CA 1.962 57.113 55.300 -0.249 0.000 1.105 113 M CB -0.864 31.496 32.600 -0.401 0.000 1.385 113 M HN 0.517 nan 8.290 nan 0.000 0.417 114 G N -0.893 107.791 108.800 -0.193 0.000 2.418 114 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 114 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 114 G C 1.178 175.938 174.900 -0.234 0.000 1.158 114 G CA 1.326 46.321 45.100 -0.176 0.000 0.771 114 G HN 0.469 nan 8.290 nan 0.000 0.545 115 H N -0.404 118.366 119.070 -0.501 0.000 2.353 115 H HA -0.053 4.504 4.556 0.001 0.000 0.300 115 H C 1.226 176.099 175.328 -0.758 0.000 1.090 115 H CA 1.296 56.855 56.048 -0.815 0.000 1.327 115 H CB -0.127 28.617 29.762 -1.696 0.000 1.383 115 H HN 0.422 nan 8.280 nan 0.000 0.508 116 Y N 0.444 120.529 120.300 -0.359 0.000 2.571 116 Y HA 0.207 4.757 4.550 0.001 0.000 0.275 116 Y C 0.629 176.436 175.900 -0.156 0.000 1.179 116 Y CA -0.441 57.467 58.100 -0.320 0.000 1.242 116 Y CB -0.155 38.239 38.460 -0.109 0.000 1.126 116 Y HN 0.003 nan 8.280 nan 0.000 0.524 117 K N 0.811 121.186 120.400 -0.042 0.000 2.473 117 K HA 0.092 4.413 4.320 0.001 0.000 0.277 117 K C 1.304 177.906 176.600 0.003 0.000 1.052 117 K CA 1.337 57.623 56.287 -0.003 0.000 1.114 117 K CB -0.261 32.208 32.500 -0.051 0.000 0.869 117 K HN 0.631 nan 8.250 nan 0.000 0.481 118 G N 3.735 112.564 108.800 0.048 0.000 2.184 118 G HA2 -0.308 3.653 3.960 0.001 0.000 0.264 118 G HA3 -0.308 3.653 3.960 0.001 0.000 0.264 118 G C 0.502 175.430 174.900 0.046 0.000 0.975 118 G CA 0.735 45.860 45.100 0.040 0.000 0.642 118 G HN 0.727 nan 8.290 nan 0.000 0.536 119 K N -0.566 119.863 120.400 0.049 0.000 2.374 119 K HA 0.357 4.677 4.320 0.001 0.000 0.202 119 K C 0.333 176.981 176.600 0.079 0.000 1.040 119 K CA -0.125 56.210 56.287 0.080 0.000 1.085 119 K CB 0.891 33.398 32.500 0.012 0.000 0.873 119 K HN 0.310 nan 8.250 nan 0.000 0.539 120 I N 0.838 121.416 120.570 0.012 0.000 2.378 120 I HA 0.198 4.369 4.170 0.001 0.000 0.291 120 I C 1.128 177.191 176.117 -0.091 0.000 0.992 120 I CA -0.326 60.895 61.300 -0.132 0.000 1.154 120 I CB 1.180 38.959 38.000 -0.369 0.000 1.315 120 I HN -0.041 nan 8.210 nan 0.000 0.448 121 A N 6.083 128.827 122.820 -0.126 0.000 1.872 121 A HA -0.013 4.307 4.320 0.001 0.000 0.214 121 A C 0.781 178.333 177.584 -0.052 0.000 1.187 121 A CA 1.110 53.103 52.037 -0.074 0.000 0.614 121 A CB 0.066 19.001 19.000 -0.108 0.000 0.826 121 A HN 0.777 nan 8.150 nan 0.000 0.442 122 Q N -3.136 116.585 119.800 -0.133 0.000 2.345 122 Q HA 0.476 4.816 4.340 0.001 0.000 0.275 122 Q C -2.046 173.857 176.000 -0.162 0.000 1.063 122 Q CA -0.333 55.438 55.803 -0.052 0.000 0.819 122 Q CB 2.143 30.872 28.738 -0.015 0.000 1.356 122 Q HN 0.544 nan 8.270 nan 0.000 0.418 123 W N 1.359 122.673 121.300 0.023 0.000 2.656 123 W HA 0.321 4.982 4.660 0.000 0.000 0.327 123 W C -0.707 175.815 176.519 0.005 0.000 1.041 123 W CA -0.446 56.900 57.345 0.001 0.000 1.229 123 W CB 1.677 31.128 29.460 -0.014 0.000 1.397 123 W HN 0.445 nan 8.180 nan 0.000 0.479 124 D N 3.578 124.169 120.400 0.317 0.000 2.453 124 D HA 0.070 4.711 4.640 0.001 0.000 0.223 124 D C 1.136 177.504 176.300 0.114 0.000 1.183 124 D CA 0.212 54.309 54.000 0.161 0.000 0.933 124 D CB 1.296 42.163 40.800 0.111 0.000 1.038 124 D HN 0.112 nan 8.370 nan 0.000 0.513 125 V N 1.865 121.787 119.914 0.014 0.000 2.261 125 V HA -0.127 3.993 4.120 0.001 0.000 0.246 125 V C 1.107 177.103 176.094 -0.163 0.000 1.047 125 V CA 1.091 63.261 62.300 -0.217 0.000 1.015 125 V CB 0.037 31.432 31.823 -0.713 0.000 0.642 125 V HN 0.261 nan 8.190 nan 0.000 0.446 126 V N 0.117 119.973 119.914 -0.096 0.000 2.735 126 V HA 0.729 4.849 4.120 0.001 0.000 0.310 126 V C -0.445 175.680 176.094 0.052 0.000 1.061 126 V CA -0.034 62.339 62.300 0.121 0.000 0.913 126 V CB 1.926 33.900 31.823 0.252 0.000 1.005 126 V HN 0.515 nan 8.190 nan 0.000 0.428 127 S N 1.415 117.214 115.700 0.166 0.000 2.579 127 S HA 0.637 5.107 4.470 0.001 0.000 0.272 127 S C -0.509 174.451 174.600 0.601 0.000 1.141 127 S CA -0.620 57.645 58.200 0.109 0.000 0.843 127 S CB 1.374 64.566 63.200 -0.014 0.000 1.122 127 S HN 0.981 nan 8.310 nan 0.000 0.468 128 H N -0.618 118.642 119.070 0.317 0.000 2.741 128 H HA -0.158 4.399 4.556 0.001 0.000 0.305 128 H C 1.140 176.797 175.328 0.549 0.000 1.169 128 H CA 0.819 57.188 56.048 0.535 0.000 1.144 128 H CB -1.815 28.442 29.762 0.825 0.000 1.397 128 H HN 0.992 nan 8.280 nan 0.000 0.409 129 A N -1.131 122.136 122.820 0.744 0.000 2.169 129 A HA 0.264 4.584 4.320 0.001 0.000 0.212 129 A C 0.451 178.232 177.584 0.328 0.000 1.153 129 A CA 0.409 52.842 52.037 0.660 0.000 0.756 129 A CB 0.267 19.699 19.000 0.721 0.000 0.813 129 A HN 0.179 nan 8.150 nan 0.000 0.471 130 F N -0.964 119.134 119.950 0.247 0.000 2.470 130 F HA 0.544 5.071 4.527 0.001 0.000 0.329 130 F C 0.876 176.708 175.800 0.054 0.000 1.072 130 F CA -0.900 57.169 58.000 0.116 0.000 0.989 130 F CB 1.570 40.614 39.000 0.073 0.000 1.193 130 F HN -0.065 nan 8.300 nan 0.000 0.481 131 S N 0.125 115.925 115.700 0.166 0.000 2.632 131 S HA 0.198 4.668 4.470 0.001 0.000 0.267 131 S C 0.275 174.942 174.600 0.111 0.000 1.276 131 S CA -0.551 57.712 58.200 0.105 0.000 0.998 131 S CB 0.502 63.736 63.200 0.056 0.000 0.953 131 S HN 0.624 nan 8.310 nan 0.000 0.547 132 D N 0.805 121.265 120.400 0.101 0.000 2.395 132 D HA 0.068 4.709 4.640 0.001 0.000 0.213 132 D C 0.544 176.883 176.300 0.066 0.000 1.110 132 D CA 0.173 54.239 54.000 0.109 0.000 0.835 132 D CB 0.088 40.990 40.800 0.170 0.000 0.965 132 D HN 0.745 nan 8.370 nan 0.000 0.505 133 D N 0.174 120.603 120.400 0.048 0.000 2.392 133 D HA -0.017 4.623 4.640 0.001 0.000 0.228 133 D C 1.632 177.926 176.300 -0.010 0.000 1.003 133 D CA 0.848 54.858 54.000 0.017 0.000 0.917 133 D CB -0.285 40.524 40.800 0.015 0.000 0.890 133 D HN 0.167 nan 8.370 nan 0.000 0.532 134 G N -0.328 108.466 108.800 -0.010 0.000 2.179 134 G HA2 -0.362 3.598 3.960 0.001 0.000 0.260 134 G HA3 -0.362 3.598 3.960 0.001 0.000 0.260 134 G C 1.199 176.085 174.900 -0.023 0.000 0.977 134 G CA 0.912 45.982 45.100 -0.049 0.000 0.641 134 G HN 0.692 nan 8.290 nan 0.000 0.533 135 S N -0.741 114.964 115.700 0.007 0.000 2.425 135 S HA 0.394 4.865 4.470 0.001 0.000 0.225 135 S C 2.300 176.923 174.600 0.039 0.000 1.024 135 S CA 1.565 59.773 58.200 0.013 0.000 0.951 135 S CB 0.088 63.297 63.200 0.014 0.000 0.796 135 S HN 2.367 nan 8.310 nan 0.000 0.498 136 G N 0.463 109.313 108.800 0.083 0.000 2.131 136 G HA2 0.008 3.968 3.960 0.001 0.000 0.223 136 G HA3 0.008 3.968 3.960 0.001 0.000 0.223 136 G C 0.304 175.346 174.900 0.237 0.000 0.990 136 G CA -0.060 45.129 45.100 0.148 0.000 0.671 136 G HN 1.060 nan 8.290 nan 0.000 0.521 137 G N -1.007 107.877 108.800 0.140 0.000 2.705 137 G HA2 0.674 4.635 3.960 0.001 0.000 0.299 137 G HA3 0.674 4.635 3.960 0.001 0.000 0.299 137 G C 0.135 174.930 174.900 -0.175 0.000 1.315 137 G CA -0.921 44.189 45.100 0.018 0.000 1.045 137 G HN 0.315 nan 8.290 nan 0.000 0.517 138 R N -0.268 120.023 120.500 -0.349 0.000 2.679 138 R HA 0.191 4.532 4.340 0.001 0.000 0.269 138 R C 0.608 176.821 176.300 -0.146 0.000 1.076 138 R CA -0.333 55.520 56.100 -0.411 0.000 1.160 138 R CB 0.564 30.712 30.300 -0.254 0.000 1.054 138 R HN 0.779 nan 8.270 nan 0.000 0.507 139 R N -0.134 120.316 120.500 -0.082 0.000 2.404 139 R HA 0.179 4.520 4.340 0.001 0.000 0.291 139 R C -0.647 175.614 176.300 -0.066 0.000 1.025 139 R CA -0.622 55.447 56.100 -0.052 0.000 0.991 139 R CB 0.565 30.829 30.300 -0.060 0.000 1.053 139 R HN 0.411 nan 8.270 nan 0.000 0.479 140 D N 2.368 122.728 120.400 -0.067 0.000 2.363 140 D HA 0.056 4.697 4.640 0.001 0.000 0.263 140 D C -0.894 175.342 176.300 -0.106 0.000 1.258 140 D CA 0.416 54.373 54.000 -0.072 0.000 0.907 140 D CB 0.569 41.336 40.800 -0.054 0.000 1.107 140 D HN 0.660 nan 8.370 nan 0.000 0.495 141 S N 2.657 118.277 115.700 -0.134 0.000 2.618 141 S HA 0.285 4.755 4.470 0.001 0.000 0.277 141 S C 1.187 175.663 174.600 -0.207 0.000 1.138 141 S CA -0.887 57.214 58.200 -0.165 0.000 0.844 141 S CB 1.263 64.353 63.200 -0.183 0.000 1.127 141 S HN 0.459 nan 8.310 nan 0.000 0.474 142 N N 1.620 120.203 118.700 -0.195 0.000 2.094 142 N HA -0.187 4.553 4.740 0.001 0.000 0.191 142 N C 1.570 176.902 175.510 -0.296 0.000 1.023 142 N CA 1.724 54.652 53.050 -0.203 0.000 0.857 142 N CB -1.034 37.342 38.487 -0.184 0.000 1.013 142 N HN 0.691 nan 8.380 nan 0.000 0.426 143 L N 0.089 121.037 121.223 -0.458 0.000 2.017 143 L HA -0.149 4.191 4.340 0.001 0.000 0.208 143 L C 2.926 179.193 176.870 -1.005 0.000 1.073 143 L CA 1.454 55.822 54.840 -0.786 0.000 0.745 143 L CB -0.584 40.725 42.059 -1.250 0.000 0.894 143 L HN 0.226 nan 8.230 nan 0.000 0.432 144 Q N 0.662 119.949 119.800 -0.855 0.000 2.170 144 Q HA -0.178 4.163 4.340 0.001 0.000 0.203 144 Q C 2.162 178.056 176.000 -0.176 0.000 0.976 144 Q CA 1.575 57.119 55.803 -0.432 0.000 0.858 144 Q CB -0.083 28.590 28.738 -0.108 0.000 0.907 144 Q HN 0.311 nan 8.270 nan 0.000 0.433 145 R N -0.512 119.879 120.500 -0.182 0.000 2.237 145 R HA -0.045 4.296 4.340 0.001 0.000 0.219 145 R C 2.065 178.326 176.300 -0.065 0.000 1.080 145 R CA 1.435 57.478 56.100 -0.094 0.000 0.995 145 R CB -0.421 29.824 30.300 -0.093 0.000 0.875 145 R HN 0.491 nan 8.270 nan 0.000 0.462 146 T N -2.287 112.210 114.554 -0.095 0.000 3.072 146 T HA 0.134 4.484 4.350 0.001 0.000 0.266 146 T C 0.852 175.578 174.700 0.043 0.000 1.127 146 T CA 0.604 62.687 62.100 -0.028 0.000 1.107 146 T CB 0.392 69.240 68.868 -0.034 0.000 0.910 146 T HN 0.362 nan 8.240 nan 0.000 0.513 147 G N 0.675 109.521 108.800 0.075 0.000 2.351 147 G HA2 0.051 4.012 3.960 0.001 0.000 0.472 147 G HA3 0.051 4.012 3.960 0.001 0.000 0.472 147 G C -0.136 174.930 174.900 0.276 0.000 1.570 147 G CA -0.262 44.922 45.100 0.140 0.000 0.921 147 G HN 0.108 nan 8.290 nan 0.000 0.674 148 N N 0.431 119.263 118.700 0.219 0.000 2.348 148 N HA -0.123 4.617 4.740 0.001 0.000 0.185 148 N C 1.784 177.429 175.510 0.225 0.000 1.019 148 N CA 2.030 55.227 53.050 0.244 0.000 0.880 148 N CB 0.172 38.732 38.487 0.122 0.000 0.965 148 N HN 0.636 nan 8.380 nan 0.000 0.437 149 D N -0.342 120.180 120.400 0.203 0.000 2.349 149 D HA -0.127 4.514 4.640 0.001 0.000 0.224 149 D C 1.713 178.115 176.300 0.170 0.000 1.029 149 D CA -0.036 54.053 54.000 0.148 0.000 0.879 149 D CB -0.914 39.957 40.800 0.117 0.000 0.906 149 D HN 0.583 nan 8.370 nan 0.000 0.528 150 W N 1.599 122.960 121.300 0.102 0.000 2.342 150 W HA -0.141 4.520 4.660 0.001 0.000 0.297 150 W C 1.549 178.160 176.519 0.154 0.000 1.213 150 W CA 0.199 57.608 57.345 0.106 0.000 1.251 150 W CB -1.104 28.412 29.460 0.093 0.000 1.136 150 W HN -0.078 nan 8.180 nan 0.000 0.526 151 I N 1.339 121.510 120.570 -0.665 0.000 2.142 151 I HA -0.308 3.863 4.170 0.001 0.000 0.240 151 I C 2.808 178.936 176.117 0.018 0.000 1.078 151 I CA 2.307 63.316 61.300 -0.484 0.000 1.343 151 I CB -0.820 36.964 38.000 -0.360 0.000 1.046 151 I HN 0.026 nan 8.210 nan 0.000 0.405 152 E N 1.038 121.218 120.200 -0.032 0.000 2.058 152 E HA -0.206 4.144 4.350 0.001 0.000 0.194 152 E C 2.314 178.891 176.600 -0.039 0.000 0.997 152 E CA 1.676 57.956 56.400 -0.200 0.000 0.801 152 E CB 0.115 29.694 29.700 -0.201 0.000 0.746 152 E HN 0.265 nan 8.360 nan 0.000 0.450 153 V N 1.252 121.182 119.914 0.027 0.000 2.332 153 V HA -0.296 3.825 4.120 0.001 0.000 0.248 153 V C 2.454 178.582 176.094 0.056 0.000 1.055 153 V CA 1.827 64.162 62.300 0.057 0.000 1.038 153 V CB -0.846 31.043 31.823 0.109 0.000 0.651 153 V HN 0.444 nan 8.190 nan 0.000 0.450 154 A N -0.496 122.359 122.820 0.059 0.000 1.877 154 A HA -0.187 4.134 4.320 0.001 0.000 0.216 154 A C 2.043 179.555 177.584 -0.121 0.000 1.186 154 A CA 1.865 53.892 52.037 -0.018 0.000 0.620 154 A CB -0.713 18.261 19.000 -0.044 0.000 0.822 154 A HN 0.460 nan 8.150 nan 0.000 0.443 155 F N -0.144 119.768 119.950 -0.063 0.000 2.146 155 F HA -0.105 4.423 4.527 0.001 0.000 0.298 155 F C 2.608 178.362 175.800 -0.075 0.000 1.096 155 F CA 1.741 59.695 58.000 -0.076 0.000 1.275 155 F CB -0.265 38.641 39.000 -0.155 0.000 1.008 155 F HN 0.099 nan 8.300 nan 0.000 0.480 156 R N -0.626 119.924 120.500 0.083 0.000 2.096 156 R HA -0.117 4.224 4.340 0.001 0.000 0.235 156 R C 2.088 178.398 176.300 0.015 0.000 1.127 156 R CA 1.854 57.972 56.100 0.031 0.000 0.968 156 R CB -0.969 29.333 30.300 0.003 0.000 0.861 156 R HN 0.211 nan 8.270 nan 0.000 0.440 157 T N 0.911 115.468 114.554 0.004 0.000 2.746 157 T HA -0.135 4.216 4.350 0.001 0.000 0.267 157 T C 1.959 176.634 174.700 -0.043 0.000 1.039 157 T CA 1.423 63.516 62.100 -0.013 0.000 1.142 157 T CB -0.230 68.633 68.868 -0.008 0.000 0.866 157 T HN 0.379 nan 8.240 nan 0.000 0.444 158 A N 1.849 124.627 122.820 -0.070 0.000 1.877 158 A HA -0.117 4.203 4.320 0.001 0.000 0.216 158 A C 2.251 179.813 177.584 -0.037 0.000 1.186 158 A CA 2.028 54.001 52.037 -0.106 0.000 0.620 158 A CB -0.578 18.327 19.000 -0.159 0.000 0.822 158 A HN 0.342 nan 8.150 nan 0.000 0.443 159 R N 0.263 120.774 120.500 0.017 0.000 2.091 159 R HA -0.095 4.245 4.340 0.001 0.000 0.238 159 R C 2.096 178.406 176.300 0.016 0.000 1.136 159 R CA 2.157 58.280 56.100 0.038 0.000 0.959 159 R CB -0.855 29.477 30.300 0.052 0.000 0.856 159 R HN 0.401 nan 8.270 nan 0.000 0.437 160 A N -0.026 122.795 122.820 0.002 0.000 1.930 160 A HA 0.056 4.377 4.320 0.001 0.000 0.217 160 A C 2.358 179.933 177.584 -0.016 0.000 1.175 160 A CA 1.540 53.575 52.037 -0.004 0.000 0.627 160 A CB -0.936 18.061 19.000 -0.004 0.000 0.815 160 A HN 0.497 nan 8.150 nan 0.000 0.443 161 A N -1.255 121.543 122.820 -0.035 0.000 1.930 161 A HA 0.015 4.335 4.320 0.001 0.000 0.217 161 A C 0.943 178.502 177.584 -0.042 0.000 1.175 161 A CA 1.738 53.741 52.037 -0.057 0.000 0.627 161 A CB -0.066 18.871 19.000 -0.105 0.000 0.815 161 A HN 0.400 nan 8.150 nan 0.000 0.443 162 D N -2.715 117.674 120.400 -0.019 0.000 2.411 162 D HA 0.317 4.958 4.640 0.001 0.000 0.239 162 D C -2.580 173.749 176.300 0.047 0.000 1.307 162 D CA -1.431 52.582 54.000 0.020 0.000 0.930 162 D CB 1.073 41.906 40.800 0.054 0.000 1.395 162 D HN -0.088 nan 8.370 nan 0.000 0.536 163 P HA 0.026 nan 4.420 nan 0.000 0.228 163 P C 0.879 178.215 177.300 0.059 0.000 1.151 163 P CA 0.659 63.786 63.100 0.046 0.000 0.770 163 P CB 0.416 32.135 31.700 0.031 0.000 0.786 164 A N -0.919 121.939 122.820 0.064 0.000 2.178 164 A HA 0.412 4.732 4.320 0.001 0.000 0.211 164 A C 1.260 178.898 177.584 0.090 0.000 1.157 164 A CA 0.322 52.400 52.037 0.067 0.000 0.780 164 A CB -0.606 18.427 19.000 0.055 0.000 0.828 164 A HN 0.217 nan 8.150 nan 0.000 0.476 165 A N 0.513 123.410 122.820 0.128 0.000 2.331 165 A HA 0.519 4.839 4.320 0.001 0.000 0.283 165 A C 0.015 177.700 177.584 0.168 0.000 1.142 165 A CA -0.516 51.624 52.037 0.173 0.000 0.812 165 A CB 0.208 19.407 19.000 0.332 0.000 1.074 165 A HN 0.351 nan 8.150 nan 0.000 0.497 166 K N 1.934 122.423 120.400 0.148 0.000 2.339 166 K HA 0.332 4.653 4.320 0.001 0.000 0.286 166 K C -0.957 175.771 176.600 0.215 0.000 1.050 166 K CA 0.194 56.575 56.287 0.156 0.000 0.956 166 K CB 0.553 33.130 32.500 0.128 0.000 0.990 166 K HN 0.589 nan 8.250 nan 0.000 0.475 167 L N 4.224 125.599 121.223 0.254 0.000 2.264 167 L HA 0.333 4.674 4.340 0.001 0.000 0.289 167 L C -0.345 176.791 176.870 0.444 0.000 1.044 167 L CA -0.908 54.146 54.840 0.357 0.000 0.807 167 L CB 0.886 43.202 42.059 0.428 0.000 1.192 167 L HN 0.654 nan 8.230 nan 0.000 0.425 168 c N 1.895 120.737 118.600 0.403 0.000 2.454 168 c HA 0.473 5.044 4.570 0.001 0.000 0.336 168 c C -0.224 174.155 174.090 0.482 0.000 1.189 168 c CA -0.953 55.596 56.329 0.367 0.000 1.877 168 c CB 1.432 44.058 42.510 0.194 0.000 2.348 168 c HN 0.634 nan 8.230 nan 0.000 0.508 169 Y N 2.480 122.983 120.300 0.338 0.000 2.331 169 Y HA 0.535 5.085 4.550 0.001 0.000 0.338 169 Y C -0.262 175.684 175.900 0.078 0.000 0.992 169 Y CA -0.297 57.999 58.100 0.326 0.000 1.121 169 Y CB 0.494 39.108 38.460 0.257 0.000 1.184 169 Y HN 0.785 nan 8.280 nan 0.000 0.469 170 N N 4.391 122.665 118.700 -0.710 0.000 2.321 170 N HA 0.419 5.160 4.740 0.001 0.000 0.299 170 N C -1.943 173.207 175.510 -0.600 0.000 1.048 170 N CA -0.295 52.446 53.050 -0.514 0.000 0.836 170 N CB 1.313 39.669 38.487 -0.217 0.000 1.269 170 N HN 0.787 nan 8.380 nan 0.000 0.486 171 D N 0.225 120.376 120.400 -0.415 0.000 2.665 171 D HA 0.268 4.908 4.640 0.001 0.000 0.287 171 D C -1.424 174.764 176.300 -0.187 0.000 1.266 171 D CA -0.248 53.585 54.000 -0.279 0.000 0.830 171 D CB 1.001 41.684 40.800 -0.196 0.000 1.356 171 D HN 0.426 nan 8.370 nan 0.000 0.437 172 Y N -0.582 119.577 120.300 -0.235 0.000 2.587 172 Y HA 0.512 5.062 4.550 0.001 0.000 0.337 172 Y C 0.592 176.442 175.900 -0.082 0.000 1.065 172 Y CA -0.959 57.044 58.100 -0.162 0.000 1.126 172 Y CB 0.580 38.980 38.460 -0.100 0.000 1.279 172 Y HN 0.587 nan 8.280 nan 0.000 0.489 173 N N 0.696 119.373 118.700 -0.038 0.000 2.725 173 N HA -0.222 4.518 4.740 0.001 0.000 0.249 173 N C -0.164 175.260 175.510 -0.144 0.000 1.103 173 N CA 0.949 53.921 53.050 -0.130 0.000 0.707 173 N CB -0.992 37.525 38.487 0.051 0.000 1.043 173 N HN 0.794 nan 8.380 nan 0.000 0.553 174 I N -3.854 116.662 120.570 -0.091 0.000 3.833 174 I HA 0.278 4.449 4.170 0.001 0.000 0.328 174 I C 0.755 177.015 176.117 0.238 0.000 1.554 174 I CA -0.435 60.888 61.300 0.037 0.000 1.116 174 I CB 0.531 38.509 38.000 -0.037 0.000 1.182 174 I HN -0.141 nan 8.210 nan 0.000 0.459 175 E N 1.135 121.375 120.200 0.066 0.000 2.140 175 E HA 0.066 4.417 4.350 0.001 0.000 0.191 175 E C 0.755 177.423 176.600 0.113 0.000 0.973 175 E CA 0.352 56.811 56.400 0.099 0.000 0.829 175 E CB 0.046 29.543 29.700 -0.338 0.000 0.781 175 E HN 0.352 nan 8.360 nan 0.000 0.466 176 N N 0.873 119.475 118.700 -0.162 0.000 2.401 176 N HA -0.075 4.665 4.740 0.001 0.000 0.255 176 N C 0.120 175.691 175.510 0.102 0.000 1.110 176 N CA -0.050 52.910 53.050 -0.151 0.000 0.949 176 N CB 0.275 38.404 38.487 -0.598 0.000 1.110 176 N HN 0.303 nan 8.380 nan 0.000 0.490 177 W N 3.603 124.926 121.300 0.039 0.000 2.341 177 W HA -0.211 4.450 4.660 0.001 0.000 0.283 177 W C 1.164 177.743 176.519 0.101 0.000 1.215 177 W CA 1.873 59.260 57.345 0.069 0.000 1.211 177 W CB 0.131 29.598 29.460 0.012 0.000 1.131 177 W HN 0.608 nan 8.180 nan 0.000 0.552 178 T N -3.129 111.500 114.554 0.124 0.000 3.113 178 T HA -0.095 4.256 4.350 0.001 0.000 0.256 178 T C 0.206 175.000 174.700 0.157 0.000 1.131 178 T CA -0.069 62.074 62.100 0.071 0.000 1.074 178 T CB -0.598 68.374 68.868 0.173 0.000 0.944 178 T HN -0.054 nan 8.240 nan 0.000 0.516 179 W N 1.291 122.526 121.300 -0.108 0.000 2.218 179 W HA 0.711 5.372 4.660 0.001 0.000 0.326 179 W C 1.533 177.977 176.519 -0.125 0.000 1.276 179 W CA -1.181 56.116 57.345 -0.079 0.000 1.210 179 W CB 0.525 29.971 29.460 -0.023 0.000 1.143 179 W HN 0.164 nan 8.180 nan 0.000 0.563 180 A N 2.941 125.799 122.820 0.064 0.000 1.972 180 A HA -0.223 4.098 4.320 0.001 0.000 0.219 180 A C 2.029 179.642 177.584 0.048 0.000 1.169 180 A CA 1.796 53.837 52.037 0.006 0.000 0.635 180 A CB -0.478 18.512 19.000 -0.017 0.000 0.810 180 A HN 0.724 nan 8.150 nan 0.000 0.446 181 K N -0.767 119.708 120.400 0.125 0.000 2.057 181 K HA -0.136 4.184 4.320 0.001 0.000 0.207 181 K C 1.986 178.585 176.600 -0.001 0.000 1.049 181 K CA 1.852 58.200 56.287 0.101 0.000 0.931 181 K CB -0.328 32.262 32.500 0.149 0.000 0.714 181 K HN 0.454 nan 8.250 nan 0.000 0.440 182 T N 1.393 115.985 114.554 0.064 0.000 2.720 182 T HA -0.136 4.215 4.350 0.001 0.000 0.268 182 T C 1.755 176.465 174.700 0.017 0.000 1.037 182 T CA 1.131 63.280 62.100 0.082 0.000 1.144 182 T CB -0.119 68.824 68.868 0.124 0.000 0.864 182 T HN 0.271 nan 8.240 nan 0.000 0.444 183 Q N 0.507 120.229 119.800 -0.130 0.000 2.119 183 Q HA 0.055 4.395 4.340 0.001 0.000 0.201 183 Q C 2.751 178.716 176.000 -0.058 0.000 0.972 183 Q CA 1.485 57.190 55.803 -0.164 0.000 0.847 183 Q CB -1.076 27.527 28.738 -0.225 0.000 0.903 183 Q HN 0.612 nan 8.270 nan 0.000 0.433 184 G N 0.458 109.210 108.800 -0.081 0.000 2.446 184 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 184 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 184 G C 1.617 176.274 174.900 -0.405 0.000 1.168 184 G CA 1.086 46.150 45.100 -0.060 0.000 0.771 184 G HN 0.277 nan 8.290 nan 0.000 0.551 185 V N -0.172 119.312 119.914 -0.718 0.000 2.358 185 V HA -0.174 3.947 4.120 0.001 0.000 0.246 185 V C 2.271 178.288 176.094 -0.129 0.000 1.047 185 V CA 1.718 63.601 62.300 -0.694 0.000 1.035 185 V CB -0.721 30.837 31.823 -0.442 0.000 0.658 185 V HN 0.471 nan 8.190 nan 0.000 0.452 186 Y N 2.077 122.361 120.300 -0.026 0.000 2.128 186 Y HA -0.261 4.290 4.550 0.001 0.000 0.284 186 Y C 2.547 178.307 175.900 -0.233 0.000 1.154 186 Y CA 2.073 60.037 58.100 -0.226 0.000 1.149 186 Y CB -0.431 37.845 38.460 -0.306 0.000 0.976 186 Y HN 0.294 nan 8.280 nan 0.000 0.505 187 N N 0.145 118.734 118.700 -0.186 0.000 2.120 187 N HA -0.238 4.502 4.740 0.001 0.000 0.188 187 N C 2.073 177.387 175.510 -0.327 0.000 1.024 187 N CA 1.771 54.677 53.050 -0.240 0.000 0.852 187 N CB -0.584 37.853 38.487 -0.084 0.000 1.003 187 N HN 0.532 nan 8.380 nan 0.000 0.424 188 M N 0.792 120.180 119.600 -0.353 0.000 2.067 188 M HA -0.127 4.354 4.480 0.001 0.000 0.260 188 M C 1.755 177.555 176.300 -0.834 0.000 1.069 188 M CA 1.403 56.345 55.300 -0.597 0.000 1.117 188 M CB -0.013 32.248 32.600 -0.565 0.000 1.334 188 M HN -0.136 nan 8.290 nan 0.000 0.407 189 V N 0.644 120.220 119.914 -0.562 0.000 2.343 189 V HA -0.286 3.835 4.120 0.001 0.000 0.247 189 V C 2.497 178.424 176.094 -0.279 0.000 1.051 189 V CA 2.330 64.425 62.300 -0.342 0.000 1.036 189 V CB -1.066 30.722 31.823 -0.058 0.000 0.654 189 V HN 0.566 nan 8.190 nan 0.000 0.451 190 R N 0.434 120.683 120.500 -0.419 0.000 2.083 190 R HA -0.247 4.093 4.340 0.001 0.000 0.237 190 R C 2.174 178.354 176.300 -0.200 0.000 1.137 190 R CA 2.396 58.279 56.100 -0.363 0.000 0.951 190 R CB -0.559 29.420 30.300 -0.535 0.000 0.851 190 R HN 0.612 nan 8.270 nan 0.000 0.434 191 D N -0.448 119.823 120.400 -0.215 0.000 2.104 191 D HA -0.205 4.435 4.640 0.001 0.000 0.194 191 D C 1.677 178.012 176.300 0.059 0.000 0.994 191 D CA 1.404 55.346 54.000 -0.097 0.000 0.830 191 D CB -0.126 40.595 40.800 -0.133 0.000 0.959 191 D HN 0.192 nan 8.370 nan 0.000 0.452 192 F N 1.042 120.910 119.950 -0.136 0.000 2.095 192 F HA -0.107 4.421 4.527 0.001 0.000 0.298 192 F C 2.345 178.076 175.800 -0.115 0.000 1.104 192 F CA 0.993 58.909 58.000 -0.140 0.000 1.232 192 F CB -0.827 38.045 39.000 -0.212 0.000 0.987 192 F HN 0.021 nan 8.300 nan 0.000 0.475 193 K N 0.431 120.886 120.400 0.092 0.000 2.097 193 K HA -0.152 4.168 4.320 0.001 0.000 0.206 193 K C 1.937 178.543 176.600 0.010 0.000 1.049 193 K CA 1.030 57.332 56.287 0.025 0.000 0.933 193 K CB -0.793 31.704 32.500 -0.005 0.000 0.717 193 K HN 0.454 nan 8.250 nan 0.000 0.442 194 Q N 0.216 120.018 119.800 0.003 0.000 2.119 194 Q HA -0.053 4.288 4.340 0.001 0.000 0.201 194 Q C 1.841 177.846 176.000 0.009 0.000 0.972 194 Q CA 1.120 56.921 55.803 -0.002 0.000 0.847 194 Q CB -0.042 28.687 28.738 -0.014 0.000 0.903 194 Q HN 0.256 nan 8.270 nan 0.000 0.433 195 R N -0.754 119.761 120.500 0.025 0.000 2.317 195 R HA 0.099 4.439 4.340 0.001 0.000 0.208 195 R C 0.815 177.116 176.300 0.002 0.000 0.914 195 R CA 0.562 56.674 56.100 0.020 0.000 1.060 195 R CB 0.615 30.938 30.300 0.039 0.000 1.015 195 R HN 0.365 nan 8.270 nan 0.000 0.498 196 G N 1.081 109.879 108.800 -0.003 0.000 2.132 196 G HA2 -0.240 3.720 3.960 0.001 0.000 0.234 196 G HA3 -0.240 3.720 3.960 0.001 0.000 0.234 196 G C 0.173 175.041 174.900 -0.055 0.000 0.989 196 G CA -0.088 45.001 45.100 -0.019 0.000 0.676 196 G HN 0.128 nan 8.290 nan 0.000 0.522 197 V N 2.704 122.559 119.914 -0.100 0.000 2.529 197 V HA 0.273 4.393 4.120 0.001 0.000 0.292 197 V C -0.861 175.112 176.094 -0.202 0.000 1.028 197 V CA -0.389 61.763 62.300 -0.246 0.000 1.074 197 V CB 0.968 32.420 31.823 -0.619 0.000 0.958 197 V HN 0.313 nan 8.190 nan 0.000 0.481 198 P HA 0.208 nan 4.420 nan 0.000 0.264 198 P C -0.551 176.723 177.300 -0.044 0.000 1.537 198 P CA 0.447 63.521 63.100 -0.043 0.000 1.189 198 P CB 0.368 32.083 31.700 0.025 0.000 1.687 199 I N 2.567 123.068 120.570 -0.116 0.000 2.466 199 I HA 0.270 4.441 4.170 0.001 0.000 0.289 199 I C 0.062 176.193 176.117 0.024 0.000 1.026 199 I CA -0.736 60.473 61.300 -0.151 0.000 1.078 199 I CB 2.358 40.105 38.000 -0.422 0.000 1.249 199 I HN -0.020 nan 8.210 nan 0.000 0.429 200 D N 6.078 126.549 120.400 0.118 0.000 2.423 200 D HA 0.164 4.804 4.640 0.001 0.000 0.208 200 D C -0.079 176.304 176.300 0.137 0.000 1.068 200 D CA 0.436 54.509 54.000 0.120 0.000 0.860 200 D CB 0.593 41.473 40.800 0.133 0.000 0.992 200 D HN 0.585 nan 8.370 nan 0.000 0.504 201 c N -0.932 117.767 118.600 0.166 0.000 3.285 201 c HA 0.756 5.327 4.570 0.001 0.000 0.325 201 c C -0.662 173.529 174.090 0.167 0.000 1.304 201 c CA -1.018 55.412 56.329 0.168 0.000 1.319 201 c CB 1.561 44.169 42.510 0.163 0.000 1.640 201 c HN -0.110 nan 8.230 nan 0.000 0.477 202 V N 1.481 121.471 119.914 0.126 0.000 2.444 202 V HA 0.777 4.898 4.120 0.001 0.000 0.294 202 V C 0.650 176.669 176.094 -0.125 0.000 1.022 202 V CA 0.231 62.510 62.300 -0.034 0.000 0.850 202 V CB 1.717 33.419 31.823 -0.200 0.000 0.992 202 V HN 1.346 nan 8.190 nan 0.000 0.426 203 G N 3.595 112.265 108.800 -0.217 0.000 2.335 203 G HA2 0.627 4.588 3.960 0.001 0.000 0.316 203 G HA3 0.627 4.588 3.960 0.001 0.000 0.316 203 G C -1.086 173.599 174.900 -0.359 0.000 1.129 203 G CA -0.254 44.758 45.100 -0.147 0.000 0.899 203 G HN 0.428 nan 8.290 nan 0.000 0.448 204 F N 1.307 121.216 119.950 -0.068 0.000 2.361 204 F HA 0.289 4.817 4.527 0.001 0.000 0.364 204 F C 1.661 177.354 175.800 -0.178 0.000 1.117 204 F CA -0.642 57.311 58.000 -0.078 0.000 1.071 204 F CB 1.986 41.057 39.000 0.119 0.000 1.188 204 F HN 0.538 nan 8.300 nan 0.000 0.464 205 Q N 1.211 120.911 119.800 -0.166 0.000 2.135 205 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 205 Q C 0.683 176.320 176.000 -0.605 0.000 0.981 205 Q CA 1.445 57.017 55.803 -0.385 0.000 0.856 205 Q CB -0.142 28.413 28.738 -0.306 0.000 0.902 205 Q HN 0.774 nan 8.270 nan 0.000 0.425 206 S N 0.402 115.738 115.700 -0.606 0.000 3.706 206 S HA -0.120 4.351 4.470 0.001 0.000 0.363 206 S C -0.744 173.140 174.600 -1.194 0.000 0.999 206 S CA 0.101 57.630 58.200 -1.118 0.000 1.143 206 S CB -1.531 61.254 63.200 -0.693 0.000 0.902 206 S HN 0.420 nan 8.310 nan 0.000 0.476 207 H N 0.691 119.371 119.070 -0.649 0.000 2.914 207 H HA 0.318 4.874 4.556 0.001 0.000 0.264 207 H C 0.098 175.249 175.328 -0.294 0.000 1.433 207 H CA -0.151 55.719 56.048 -0.297 0.000 1.342 207 H CB -0.289 29.456 29.762 -0.028 0.000 1.582 207 H HN 0.285 nan 8.280 nan 0.000 0.525 208 F N 2.807 122.788 119.950 0.051 0.000 2.396 208 F HA 0.182 4.710 4.527 0.001 0.000 0.343 208 F C 0.835 176.656 175.800 0.035 0.000 1.104 208 F CA -0.633 57.372 58.000 0.009 0.000 1.161 208 F CB 0.880 39.856 39.000 -0.041 0.000 1.146 208 F HN 0.522 nan 8.300 nan 0.000 0.522 209 N N -2.181 116.665 118.700 0.242 0.000 3.116 209 N HA 0.192 4.932 4.740 0.001 0.000 0.244 209 N C -0.023 175.565 175.510 0.130 0.000 1.485 209 N CA -0.396 52.741 53.050 0.146 0.000 0.884 209 N CB 0.508 39.054 38.487 0.099 0.000 1.415 209 N HN 0.231 nan 8.380 nan 0.000 0.524 210 S N -2.236 113.522 115.700 0.096 0.000 2.500 210 S HA 0.015 4.485 4.470 0.001 0.000 0.239 210 S C 1.533 176.200 174.600 0.111 0.000 0.989 210 S CA 1.025 59.279 58.200 0.091 0.000 0.951 210 S CB -1.106 62.135 63.200 0.068 0.000 0.759 210 S HN 0.793 nan 8.310 nan 0.000 0.523 211 G N 0.411 109.285 108.800 0.123 0.000 2.426 211 G HA2 0.209 4.170 3.960 0.001 0.000 0.214 211 G HA3 0.209 4.170 3.960 0.001 0.000 0.214 211 G C 0.463 175.501 174.900 0.231 0.000 1.156 211 G CA 0.314 45.504 45.100 0.151 0.000 0.802 211 G HN 0.561 nan 8.290 nan 0.000 0.534 212 S N 1.868 117.699 115.700 0.218 0.000 2.293 212 S HA 0.365 4.835 4.470 0.001 0.000 0.154 212 S C -2.801 171.909 174.600 0.184 0.000 1.602 212 S CA -0.781 57.550 58.200 0.218 0.000 1.260 212 S CB 2.332 65.636 63.200 0.173 0.000 1.270 212 S HN 0.177 nan 8.310 nan 0.000 0.416 213 P HA 0.086 nan 4.420 nan 0.000 0.272 213 P C -0.494 176.765 177.300 -0.069 0.000 1.230 213 P CA -0.368 62.783 63.100 0.085 0.000 0.788 213 P CB 0.553 32.287 31.700 0.057 0.000 0.949 214 Y N 2.458 122.475 120.300 -0.471 0.000 2.480 214 Y HA 0.206 4.757 4.550 0.001 0.000 0.338 214 Y C 0.062 175.701 175.900 -0.435 0.000 1.220 214 Y CA 0.309 57.804 58.100 -1.007 0.000 1.430 214 Y CB 0.348 38.065 38.460 -1.239 0.000 1.311 214 Y HN 0.368 nan 8.280 nan 0.000 0.575 215 N N 2.213 120.142 118.700 -1.285 0.000 2.235 215 N HA 0.081 4.821 4.740 0.001 0.000 0.293 215 N C 0.187 175.038 175.510 -1.099 0.000 1.083 215 N CA 0.203 52.749 53.050 -0.841 0.000 0.801 215 N CB 2.119 40.385 38.487 -0.369 0.000 1.559 215 N HN 0.809 nan 8.380 nan 0.000 0.472 216 S N 2.185 117.531 115.700 -0.590 0.000 2.440 216 S HA -0.225 4.246 4.470 0.001 0.000 0.238 216 S C 1.246 175.746 174.600 -0.167 0.000 1.010 216 S CA 1.456 59.493 58.200 -0.271 0.000 0.972 216 S CB -0.558 62.607 63.200 -0.058 0.000 0.774 216 S HN 0.784 nan 8.310 nan 0.000 0.501 217 N N 1.168 119.776 118.700 -0.155 0.000 2.609 217 N HA -0.079 4.661 4.740 0.001 0.000 0.190 217 N C 1.056 176.572 175.510 0.009 0.000 1.157 217 N CA 0.541 53.560 53.050 -0.052 0.000 0.918 217 N CB -1.001 37.500 38.487 0.024 0.000 0.978 217 N HN 0.433 nan 8.380 nan 0.000 0.448 218 F N 1.898 121.715 119.950 -0.223 0.000 2.161 218 F HA -0.013 4.515 4.527 0.001 0.000 0.300 218 F C 2.319 178.040 175.800 -0.132 0.000 1.089 218 F CA 1.021 58.931 58.000 -0.150 0.000 1.282 218 F CB -0.416 38.511 39.000 -0.121 0.000 1.010 218 F HN 0.105 nan 8.300 nan 0.000 0.485 219 R N -0.390 119.996 120.500 -0.191 0.000 2.081 219 R HA -0.143 4.197 4.340 0.001 0.000 0.235 219 R C 2.000 178.134 176.300 -0.278 0.000 1.131 219 R CA 2.038 57.957 56.100 -0.301 0.000 0.960 219 R CB -0.562 29.645 30.300 -0.155 0.000 0.856 219 R HN 0.289 nan 8.270 nan 0.000 0.436 220 T N -0.060 114.363 114.554 -0.218 0.000 2.746 220 T HA -0.105 4.245 4.350 0.001 0.000 0.267 220 T C 1.708 176.187 174.700 -0.368 0.000 1.039 220 T CA 1.848 63.769 62.100 -0.298 0.000 1.142 220 T CB -0.337 68.340 68.868 -0.318 0.000 0.866 220 T HN 0.367 nan 8.240 nan 0.000 0.444 221 T N 2.610 117.050 114.554 -0.190 0.000 2.684 221 T HA 0.009 4.360 4.350 0.001 0.000 0.267 221 T C 1.996 176.713 174.700 0.028 0.000 1.036 221 T CA 0.952 63.089 62.100 0.063 0.000 1.148 221 T CB -0.515 68.568 68.868 0.357 0.000 0.863 221 T HN 0.260 nan 8.240 nan 0.000 0.436 222 L N 0.668 121.694 121.223 -0.329 0.000 2.046 222 L HA -0.172 4.169 4.340 0.001 0.000 0.208 222 L C 2.901 179.702 176.870 -0.114 0.000 1.077 222 L CA 1.497 56.113 54.840 -0.374 0.000 0.747 222 L CB -0.643 41.045 42.059 -0.619 0.000 0.896 222 L HN 0.324 nan 8.230 nan 0.000 0.432 223 Q N -0.338 119.359 119.800 -0.173 0.000 2.119 223 Q HA -0.160 4.180 4.340 0.001 0.000 0.201 223 Q C 2.018 177.957 176.000 -0.102 0.000 0.972 223 Q CA 1.264 56.988 55.803 -0.132 0.000 0.847 223 Q CB -0.122 28.510 28.738 -0.176 0.000 0.903 223 Q HN 0.494 nan 8.270 nan 0.000 0.433 224 N N 0.050 118.638 118.700 -0.187 0.000 2.188 224 N HA -0.099 4.641 4.740 0.001 0.000 0.184 224 N C 1.398 176.945 175.510 0.062 0.000 1.018 224 N CA 1.089 53.998 53.050 -0.235 0.000 0.858 224 N CB -0.214 37.790 38.487 -0.805 0.000 0.989 224 N HN 0.174 nan 8.380 nan 0.000 0.426 225 F N 1.384 121.431 119.950 0.162 0.000 2.206 225 F HA 0.043 4.570 4.527 0.001 0.000 0.298 225 F C 2.372 178.262 175.800 0.151 0.000 1.090 225 F CA 0.800 58.971 58.000 0.284 0.000 1.323 225 F CB -0.513 38.721 39.000 0.391 0.000 1.028 225 F HN -0.009 nan 8.300 nan 0.000 0.492 226 A N 0.109 123.081 122.820 0.254 0.000 1.908 226 A HA -0.150 4.171 4.320 0.001 0.000 0.218 226 A C 2.361 179.997 177.584 0.087 0.000 1.181 226 A CA 1.769 53.887 52.037 0.136 0.000 0.627 226 A CB -1.320 17.713 19.000 0.057 0.000 0.818 226 A HN 0.302 nan 8.150 nan 0.000 0.445 227 A N -0.553 122.303 122.820 0.061 0.000 2.125 227 A HA 0.049 4.369 4.320 0.001 0.000 0.219 227 A C 1.920 179.526 177.584 0.038 0.000 1.156 227 A CA 1.223 53.279 52.037 0.031 0.000 0.671 227 A CB -0.534 18.468 19.000 0.004 0.000 0.794 227 A HN 0.495 nan 8.150 nan 0.000 0.459 228 L N -1.447 119.809 121.223 0.056 0.000 2.552 228 L HA 0.132 4.472 4.340 0.001 0.000 0.227 228 L C 1.595 178.481 176.870 0.027 0.000 1.146 228 L CA 0.604 55.451 54.840 0.012 0.000 0.858 228 L CB -0.257 41.777 42.059 -0.041 0.000 0.969 228 L HN 0.583 nan 8.230 nan 0.000 0.451 229 G N 0.689 109.520 108.800 0.052 0.000 2.130 229 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 229 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 229 G C 0.009 174.950 174.900 0.069 0.000 0.999 229 G CA 0.022 45.151 45.100 0.049 0.000 0.686 229 G HN 0.225 nan 8.290 nan 0.000 0.515 230 V N -3.119 116.857 119.914 0.104 0.000 2.914 230 V HA 0.868 4.988 4.120 0.001 0.000 0.314 230 V C -0.148 176.030 176.094 0.139 0.000 1.084 230 V CA -1.518 60.857 62.300 0.124 0.000 0.963 230 V CB 2.086 34.004 31.823 0.158 0.000 1.025 230 V HN 0.032 nan 8.190 nan 0.000 0.432 231 D N 1.464 121.942 120.400 0.130 0.000 2.358 231 D HA 0.574 5.215 4.640 0.001 0.000 0.244 231 D C 0.029 176.425 176.300 0.160 0.000 1.163 231 D CA 0.160 54.234 54.000 0.123 0.000 0.945 231 D CB 1.969 42.836 40.800 0.112 0.000 1.152 231 D HN 0.972 nan 8.370 nan 0.000 0.451 232 V N -3.033 116.967 119.914 0.144 0.000 2.962 232 V HA 0.940 5.061 4.120 0.001 0.000 0.313 232 V C -0.946 175.237 176.094 0.148 0.000 1.099 232 V CA -0.986 61.434 62.300 0.201 0.000 0.971 232 V CB 1.581 33.511 31.823 0.179 0.000 1.028 232 V HN 0.685 nan 8.190 nan 0.000 0.430 233 A N 3.666 126.615 122.820 0.215 0.000 2.520 233 A HA 0.842 5.163 4.320 0.001 0.000 0.298 233 A C -0.940 176.764 177.584 0.200 0.000 1.051 233 A CA -0.654 51.475 52.037 0.153 0.000 0.690 233 A CB 1.514 20.618 19.000 0.173 0.000 1.281 233 A HN 0.970 nan 8.150 nan 0.000 0.402 234 I N 3.033 123.673 120.570 0.116 0.000 2.291 234 I HA 0.181 4.352 4.170 0.001 0.000 0.292 234 I C 1.546 177.690 176.117 0.045 0.000 1.064 234 I CA 0.070 61.449 61.300 0.132 0.000 1.269 234 I CB 1.369 39.438 38.000 0.116 0.000 1.418 234 I HN 0.907 nan 8.210 nan 0.000 0.485 235 T N 1.018 115.570 114.554 -0.003 0.000 3.044 235 T HA 0.133 4.483 4.350 0.001 0.000 0.255 235 T C 0.816 175.432 174.700 -0.140 0.000 1.073 235 T CA 0.382 62.442 62.100 -0.066 0.000 1.125 235 T CB 0.079 68.877 68.868 -0.115 0.000 0.908 235 T HN 0.600 nan 8.240 nan 0.000 0.480 236 E N 0.924 120.943 120.200 -0.302 0.000 3.843 236 E HA 0.321 4.671 4.350 0.001 0.000 0.189 236 E C -1.036 175.322 176.600 -0.402 0.000 1.013 236 E CA -0.500 55.660 56.400 -0.399 0.000 1.395 236 E CB 0.640 29.673 29.700 -1.111 0.000 1.136 236 E HN 0.233 nan 8.360 nan 0.000 0.444 237 L N 3.003 124.130 121.223 -0.160 0.000 2.559 237 L HA 0.087 4.428 4.340 0.001 0.000 0.274 237 L C -0.675 176.275 176.870 0.134 0.000 1.205 237 L CA 0.785 55.574 54.840 -0.086 0.000 0.907 237 L CB 0.097 42.186 42.059 0.051 0.000 1.153 237 L HN 0.175 nan 8.230 nan 0.000 0.490 238 D N 4.068 124.530 120.400 0.103 0.000 2.803 238 D HA 0.455 5.096 4.640 0.001 0.000 0.218 238 D C -1.017 175.368 176.300 0.142 0.000 1.245 238 D CA -0.331 53.831 54.000 0.271 0.000 0.821 238 D CB 0.510 41.592 40.800 0.470 0.000 1.626 238 D HN 0.393 nan 8.370 nan 0.000 0.487 239 I N 0.909 121.531 120.570 0.087 0.000 2.447 239 I HA 0.234 4.404 4.170 0.001 0.000 0.287 239 I C -0.024 176.162 176.117 0.115 0.000 1.023 239 I CA -0.951 60.377 61.300 0.046 0.000 1.083 239 I CB 2.070 39.932 38.000 -0.230 0.000 1.245 239 I HN 0.393 nan 8.210 nan 0.000 0.434 240 Q N 5.308 125.179 119.800 0.117 0.000 2.264 240 Q HA 0.132 4.472 4.340 0.001 0.000 0.296 240 Q C 1.126 177.176 176.000 0.083 0.000 1.103 240 Q CA 1.436 57.296 55.803 0.094 0.000 0.967 240 Q CB 0.308 29.091 28.738 0.076 0.000 1.090 240 Q HN 1.027 nan 8.270 nan 0.000 0.379 241 G N 3.216 112.070 108.800 0.090 0.000 2.234 241 G HA2 -0.327 3.633 3.960 0.001 0.000 0.235 241 G HA3 -0.327 3.633 3.960 0.001 0.000 0.235 241 G C 0.496 175.459 174.900 0.104 0.000 0.997 241 G CA 0.118 45.263 45.100 0.076 0.000 0.623 241 G HN 1.870 nan 8.290 nan 0.000 0.514 242 A N -0.909 122.009 122.820 0.165 0.000 2.687 242 A HA 0.107 4.427 4.320 0.001 0.000 0.299 242 A C 1.310 179.033 177.584 0.232 0.000 1.497 242 A CA 1.838 54.057 52.037 0.303 0.000 0.751 242 A CB -2.014 17.166 19.000 0.299 0.000 1.048 242 A HN 2.505 nan 8.150 nan 0.000 0.464 243 S N -0.004 115.768 115.700 0.120 0.000 2.563 243 S HA 0.293 4.764 4.470 0.001 0.000 0.294 243 S C 1.551 176.209 174.600 0.096 0.000 1.279 243 S CA 0.482 58.716 58.200 0.056 0.000 1.069 243 S CB 0.504 63.704 63.200 0.001 0.000 0.828 243 S HN 1.108 nan 8.310 nan 0.000 0.497 244 S N 4.272 119.986 115.700 0.023 0.000 2.368 244 S HA -0.097 4.374 4.470 0.001 0.000 0.225 244 S C 2.200 176.811 174.600 0.018 0.000 1.030 244 S CA 1.608 59.815 58.200 0.013 0.000 0.999 244 S CB -0.475 62.665 63.200 -0.100 0.000 0.844 244 S HN 0.802 nan 8.310 nan 0.000 0.459 245 S N 1.224 116.909 115.700 -0.024 0.000 2.356 245 S HA -0.095 4.375 4.470 0.001 0.000 0.223 245 S C 2.159 176.715 174.600 -0.073 0.000 1.032 245 S CA 1.576 59.756 58.200 -0.033 0.000 1.005 245 S CB -0.669 62.512 63.200 -0.032 0.000 0.867 245 S HN 0.602 nan 8.310 nan 0.000 0.449 246 T N 0.729 115.216 114.554 -0.111 0.000 2.777 246 T HA -0.063 4.287 4.350 0.001 0.000 0.266 246 T C 1.515 176.027 174.700 -0.313 0.000 1.040 246 T CA 1.122 63.042 62.100 -0.300 0.000 1.141 246 T CB -0.419 68.274 68.868 -0.292 0.000 0.868 246 T HN 0.340 nan 8.240 nan 0.000 0.444 247 Y N 1.521 121.739 120.300 -0.136 0.000 2.224 247 Y HA 0.021 4.572 4.550 0.001 0.000 0.289 247 Y C 2.651 178.512 175.900 -0.065 0.000 1.146 247 Y CA 0.590 58.654 58.100 -0.061 0.000 1.182 247 Y CB -0.668 37.789 38.460 -0.006 0.000 0.983 247 Y HN 0.209 nan 8.280 nan 0.000 0.524 248 A N -0.526 122.342 122.820 0.079 0.000 1.929 248 A HA -0.038 4.282 4.320 0.001 0.000 0.216 248 A C 2.423 179.997 177.584 -0.017 0.000 1.176 248 A CA 1.474 53.529 52.037 0.029 0.000 0.628 248 A CB -1.171 17.835 19.000 0.010 0.000 0.816 248 A HN 0.390 nan 8.150 nan 0.000 0.444 249 A N -0.391 122.368 122.820 -0.102 0.000 1.877 249 A HA -0.033 4.288 4.320 0.001 0.000 0.216 249 A C 2.217 179.729 177.584 -0.120 0.000 1.186 249 A CA 1.863 53.822 52.037 -0.129 0.000 0.620 249 A CB -1.004 17.850 19.000 -0.243 0.000 0.822 249 A HN 0.390 nan 8.150 nan 0.000 0.443 250 V N -0.199 119.571 119.914 -0.240 0.000 2.343 250 V HA -0.231 3.890 4.120 0.001 0.000 0.247 250 V C 2.741 178.889 176.094 0.091 0.000 1.051 250 V CA 2.462 64.754 62.300 -0.014 0.000 1.036 250 V CB -1.275 30.552 31.823 0.006 0.000 0.654 250 V HN 0.619 nan 8.190 nan 0.000 0.451 251 T N 0.233 114.846 114.554 0.099 0.000 2.746 251 T HA -0.170 4.181 4.350 0.001 0.000 0.267 251 T C 1.830 176.564 174.700 0.057 0.000 1.039 251 T CA 1.595 63.773 62.100 0.130 0.000 1.142 251 T CB -0.373 68.589 68.868 0.156 0.000 0.866 251 T HN 0.413 nan 8.240 nan 0.000 0.444 252 N N 1.199 119.917 118.700 0.029 0.000 2.309 252 N HA -0.075 4.665 4.740 0.001 0.000 0.182 252 N C 1.439 176.940 175.510 -0.014 0.000 1.018 252 N CA 0.791 53.845 53.050 0.006 0.000 0.876 252 N CB -0.302 38.188 38.487 0.005 0.000 0.972 252 N HN 0.374 nan 8.380 nan 0.000 0.434 253 D N 0.139 120.533 120.400 -0.011 0.000 2.144 253 D HA -0.099 4.542 4.640 0.001 0.000 0.200 253 D C 1.997 178.214 176.300 -0.138 0.000 0.978 253 D CA 0.516 54.470 54.000 -0.077 0.000 0.833 253 D CB -0.437 40.316 40.800 -0.080 0.000 0.961 253 D HN 0.203 nan 8.370 nan 0.000 0.470 254 c N 0.376 118.916 118.600 -0.100 0.000 2.446 254 c HA 0.006 4.577 4.570 0.001 0.000 0.277 254 c C 2.737 176.776 174.090 -0.085 0.000 1.275 254 c CA 0.199 56.460 56.329 -0.114 0.000 1.727 254 c CB -1.205 41.257 42.510 -0.081 0.000 2.010 254 c HN 0.272 nan 8.230 nan 0.000 0.486 255 L N 1.105 122.298 121.223 -0.050 0.000 2.275 255 L HA -0.040 4.301 4.340 0.001 0.000 0.215 255 L C 2.732 179.574 176.870 -0.046 0.000 1.119 255 L CA 1.354 56.172 54.840 -0.038 0.000 0.790 255 L CB -0.542 41.507 42.059 -0.017 0.000 0.919 255 L HN 0.442 nan 8.230 nan 0.000 0.443 256 A N -0.798 121.986 122.820 -0.059 0.000 2.208 256 A HA 0.194 4.515 4.320 0.001 0.000 0.209 256 A C 0.758 178.297 177.584 -0.075 0.000 1.161 256 A CA 0.201 52.201 52.037 -0.062 0.000 0.782 256 A CB 0.028 18.988 19.000 -0.065 0.000 0.816 256 A HN 0.123 nan 8.150 nan 0.000 0.477 257 V N 0.098 119.960 119.914 -0.087 0.000 2.350 257 V HA 0.211 4.331 4.120 0.001 0.000 0.285 257 V C 1.418 177.476 176.094 -0.060 0.000 1.014 257 V CA 0.122 62.370 62.300 -0.087 0.000 0.831 257 V CB 1.032 32.779 31.823 -0.127 0.000 1.000 257 V HN 0.413 nan 8.190 nan 0.000 0.433 258 S N 4.348 120.023 115.700 -0.041 0.000 2.374 258 S HA -0.164 4.307 4.470 0.001 0.000 0.227 258 S C 1.873 176.464 174.600 -0.015 0.000 1.037 258 S CA 1.599 59.784 58.200 -0.024 0.000 1.024 258 S CB -0.105 63.086 63.200 -0.015 0.000 0.861 258 S HN 0.713 nan 8.310 nan 0.000 0.456 259 R N 0.021 120.516 120.500 -0.010 0.000 2.323 259 R HA 0.100 4.441 4.340 0.001 0.000 0.198 259 R C 0.619 176.922 176.300 0.005 0.000 0.988 259 R CA 0.045 56.153 56.100 0.012 0.000 1.041 259 R CB -1.179 29.142 30.300 0.035 0.000 0.926 259 R HN 0.401 nan 8.270 nan 0.000 0.476 260 c N 1.975 120.555 118.600 -0.035 0.000 2.520 260 c HA 0.189 4.760 4.570 0.001 0.000 0.369 260 c C 2.077 176.119 174.090 -0.080 0.000 1.244 260 c CA -0.644 55.649 56.329 -0.060 0.000 1.677 260 c CB -1.117 41.328 42.510 -0.109 0.000 2.324 260 c HN 0.438 nan 8.230 nan 0.000 0.557 261 L N 5.406 126.596 121.223 -0.056 0.000 2.083 261 L HA 0.209 4.549 4.340 0.001 0.000 0.209 261 L C 1.545 178.142 176.870 -0.455 0.000 1.083 261 L CA 1.250 56.048 54.840 -0.071 0.000 0.752 261 L CB -0.757 41.386 42.059 0.140 0.000 0.899 261 L HN 0.926 nan 8.230 nan 0.000 0.433 262 G N -0.793 107.598 108.800 -0.683 0.000 2.315 262 G HA2 0.411 4.371 3.960 0.001 0.000 0.294 262 G HA3 0.411 4.371 3.960 0.001 0.000 0.294 262 G C -1.793 172.691 174.900 -0.694 0.000 1.300 262 G CA -0.762 43.615 45.100 -1.206 0.000 0.843 262 G HN -0.097 nan 8.290 nan 0.000 0.527 263 I N 0.446 120.666 120.570 -0.582 0.000 2.498 263 I HA 0.521 4.692 4.170 0.001 0.000 0.290 263 I C -0.447 175.405 176.117 -0.441 0.000 1.032 263 I CA -0.673 60.393 61.300 -0.390 0.000 1.073 263 I CB 2.661 40.413 38.000 -0.414 0.000 1.251 263 I HN 0.379 nan 8.210 nan 0.000 0.426 264 T N 5.212 119.658 114.554 -0.179 0.000 2.807 264 T HA 0.463 4.814 4.350 0.001 0.000 0.279 264 T C -0.317 174.357 174.700 -0.042 0.000 0.993 264 T CA -0.538 61.499 62.100 -0.106 0.000 0.970 264 T CB 1.803 70.696 68.868 0.042 0.000 0.950 264 T HN 0.380 nan 8.240 nan 0.000 0.441 265 V N 1.044 120.969 119.914 0.019 0.000 2.539 265 V HA 0.473 4.594 4.120 0.001 0.000 0.292 265 V C 0.231 176.454 176.094 0.216 0.000 1.045 265 V CA -1.155 61.273 62.300 0.213 0.000 0.945 265 V CB 1.304 33.368 31.823 0.402 0.000 0.993 265 V HN 1.015 nan 8.190 nan 0.000 0.464 266 W N 5.194 126.518 121.300 0.040 0.000 1.371 266 W HA 0.527 5.188 4.660 0.001 0.000 0.482 266 W C 0.600 177.163 176.519 0.073 0.000 0.640 266 W CA 0.727 58.080 57.345 0.014 0.000 2.164 266 W CB -0.085 29.417 29.460 0.071 0.000 1.613 266 W HN 1.234 nan 8.180 nan 0.000 0.212 267 G N -0.004 108.715 108.800 -0.134 0.000 2.340 267 G HA2 -0.095 3.866 3.960 0.001 0.000 0.527 267 G HA3 -0.095 3.866 3.960 0.001 0.000 0.527 267 G C -0.569 174.328 174.900 -0.006 0.000 1.381 267 G CA -0.636 44.401 45.100 -0.105 0.000 1.001 267 G HN 0.039 nan 8.290 nan 0.000 0.626 268 V N 0.351 120.286 119.914 0.035 0.000 2.398 268 V HA 0.312 4.432 4.120 0.001 0.000 0.236 268 V C 1.532 177.761 176.094 0.225 0.000 1.054 268 V CA 1.547 63.890 62.300 0.072 0.000 1.060 268 V CB -0.432 31.274 31.823 -0.196 0.000 0.707 268 V HN 0.693 nan 8.190 nan 0.000 0.480 269 R N 0.462 121.082 120.500 0.199 0.000 2.720 269 R HA 0.306 4.647 4.340 0.001 0.000 0.272 269 R C 0.602 177.026 176.300 0.207 0.000 0.991 269 R CA -0.662 55.577 56.100 0.231 0.000 1.010 269 R CB 0.828 31.234 30.300 0.177 0.000 1.141 269 R HN 0.153 nan 8.270 nan 0.000 0.494 270 D N 0.608 121.123 120.400 0.192 0.000 2.182 270 D HA -0.157 4.483 4.640 0.001 0.000 0.201 270 D C 1.628 178.007 176.300 0.132 0.000 0.986 270 D CA 2.041 56.139 54.000 0.163 0.000 0.847 270 D CB -0.149 40.730 40.800 0.131 0.000 0.942 270 D HN 0.685 nan 8.370 nan 0.000 0.467 271 T N -1.670 112.953 114.554 0.114 0.000 3.007 271 T HA -0.096 4.255 4.350 0.001 0.000 0.270 271 T C 1.101 175.849 174.700 0.080 0.000 1.107 271 T CA 0.802 62.953 62.100 0.084 0.000 1.118 271 T CB 0.029 68.937 68.868 0.066 0.000 0.889 271 T HN 0.018 nan 8.240 nan 0.000 0.506 272 D N 1.184 121.650 120.400 0.109 0.000 2.360 272 D HA 0.153 4.793 4.640 0.001 0.000 0.210 272 D C 0.846 177.217 176.300 0.119 0.000 1.047 272 D CA 0.099 54.153 54.000 0.090 0.000 0.854 272 D CB 0.202 41.091 40.800 0.148 0.000 0.936 272 D HN 0.427 nan 8.370 nan 0.000 0.514 273 S N 1.088 116.892 115.700 0.173 0.000 2.576 273 S HA 0.041 4.512 4.470 0.001 0.000 0.276 273 S C 1.247 176.038 174.600 0.320 0.000 1.339 273 S CA -0.797 57.571 58.200 0.280 0.000 1.039 273 S CB 0.633 64.004 63.200 0.285 0.000 0.902 273 S HN 0.353 nan 8.310 nan 0.000 0.516 274 W N 4.753 126.132 121.300 0.131 0.000 2.699 274 W HA 0.200 4.861 4.660 0.001 0.000 0.249 274 W C 0.267 176.840 176.519 0.089 0.000 1.280 274 W CA -0.091 57.325 57.345 0.118 0.000 1.345 274 W CB -0.738 28.835 29.460 0.188 0.000 1.128 274 W HN 0.631 nan 8.180 nan 0.000 0.642 275 R N 1.426 121.819 120.500 -0.178 0.000 2.718 275 R HA 0.068 4.409 4.340 0.001 0.000 0.307 275 R C 1.666 177.926 176.300 -0.066 0.000 1.244 275 R CA 0.528 56.439 56.100 -0.315 0.000 1.348 275 R CB 0.389 30.317 30.300 -0.620 0.000 1.304 275 R HN 0.052 nan 8.270 nan 0.000 0.663 276 S N -0.758 114.950 115.700 0.012 0.000 2.402 276 S HA -0.170 4.301 4.470 0.001 0.000 0.233 276 S C 2.024 176.640 174.600 0.027 0.000 1.030 276 S CA 1.475 59.704 58.200 0.049 0.000 1.003 276 S CB -0.247 62.986 63.200 0.054 0.000 0.813 276 S HN 0.554 nan 8.310 nan 0.000 0.477 277 G N 1.482 110.278 108.800 -0.007 0.000 2.462 277 G HA2 -0.160 3.801 3.960 0.001 0.000 0.220 277 G HA3 -0.160 3.801 3.960 0.001 0.000 0.220 277 G C 0.953 175.854 174.900 0.003 0.000 1.121 277 G CA 0.995 46.092 45.100 -0.006 0.000 0.758 277 G HN 0.552 nan 8.290 nan 0.000 0.559 278 D N 0.455 120.853 120.400 -0.003 0.000 2.328 278 D HA 0.055 4.695 4.640 0.001 0.000 0.221 278 D C 1.459 177.797 176.300 0.064 0.000 1.072 278 D CA 0.959 54.971 54.000 0.021 0.000 0.850 278 D CB -0.321 40.481 40.800 0.003 0.000 0.922 278 D HN 0.367 nan 8.370 nan 0.000 0.516 279 T N -0.268 114.329 114.554 0.072 0.000 3.318 279 T HA -0.158 4.193 4.350 0.001 0.000 0.413 279 T C -1.719 173.068 174.700 0.146 0.000 0.771 279 T CA 0.174 62.333 62.100 0.100 0.000 2.056 279 T CB -0.991 67.921 68.868 0.072 0.000 1.684 279 T HN 0.163 nan 8.240 nan 0.000 0.610 280 P HA 0.343 nan 4.420 nan 0.000 0.261 280 P C 0.661 178.199 177.300 0.398 0.000 1.268 280 P CA -0.265 62.996 63.100 0.269 0.000 0.833 280 P CB 0.412 32.261 31.700 0.248 0.000 1.231 281 L N -0.962 120.462 121.223 0.335 0.000 2.578 281 L HA 0.377 4.717 4.340 0.001 0.000 0.259 281 L C 1.976 178.961 176.870 0.191 0.000 1.082 281 L CA -1.070 53.981 54.840 0.351 0.000 0.843 281 L CB 0.474 42.733 42.059 0.333 0.000 1.535 281 L HN -0.285 nan 8.230 nan 0.000 0.510 282 L N -0.610 120.700 121.223 0.145 0.000 2.529 282 L HA 0.183 4.523 4.340 0.001 0.000 0.223 282 L C -0.504 176.222 176.870 -0.240 0.000 1.113 282 L CA 0.401 55.179 54.840 -0.105 0.000 0.861 282 L CB 0.103 42.097 42.059 -0.108 0.000 1.012 282 L HN 0.235 nan 8.230 nan 0.000 0.461 283 F N -0.751 119.249 119.950 0.083 0.000 2.546 283 F HA 0.371 4.898 4.527 0.001 0.000 0.320 283 F C 0.485 176.309 175.800 0.039 0.000 1.076 283 F CA -1.070 56.951 58.000 0.035 0.000 0.928 283 F CB 1.000 40.020 39.000 0.034 0.000 1.189 283 F HN -0.171 nan 8.300 nan 0.000 0.465 284 N N 0.505 119.308 118.700 0.171 0.000 2.408 284 N HA 0.144 4.884 4.740 0.001 0.000 0.260 284 N C 1.191 176.774 175.510 0.122 0.000 1.242 284 N CA 0.418 53.532 53.050 0.107 0.000 0.959 284 N CB 1.022 39.532 38.487 0.038 0.000 1.201 284 N HN 0.883 nan 8.380 nan 0.000 0.511 285 G N 0.181 109.033 108.800 0.086 0.000 2.450 285 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 285 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 285 G C 0.770 175.707 174.900 0.061 0.000 1.130 285 G CA 0.978 46.123 45.100 0.076 0.000 0.760 285 G HN 0.719 nan 8.290 nan 0.000 0.557 286 D N -0.616 119.813 120.400 0.048 0.000 2.349 286 D HA 0.206 4.846 4.640 0.001 0.000 0.224 286 D C 1.715 178.039 176.300 0.040 0.000 1.029 286 D CA 0.723 54.743 54.000 0.032 0.000 0.879 286 D CB -0.543 40.265 40.800 0.013 0.000 0.906 286 D HN 0.523 nan 8.370 nan 0.000 0.528 287 G N 0.184 109.029 108.800 0.075 0.000 2.176 287 G HA2 -0.281 3.679 3.960 0.001 0.000 0.253 287 G HA3 -0.281 3.679 3.960 0.001 0.000 0.253 287 G C 0.354 175.352 174.900 0.165 0.000 0.979 287 G CA 0.349 45.507 45.100 0.096 0.000 0.641 287 G HN 0.805 nan 8.290 nan 0.000 0.530 288 S N -0.028 115.730 115.700 0.097 0.000 2.580 288 S HA 0.597 5.067 4.470 0.001 0.000 0.274 288 S C 0.257 174.846 174.600 -0.018 0.000 1.329 288 S CA -0.249 57.968 58.200 0.029 0.000 1.036 288 S CB 1.662 64.838 63.200 -0.038 0.000 0.919 288 S HN 0.454 nan 8.310 nan 0.000 0.515 289 K N 1.991 122.278 120.400 -0.189 0.000 2.350 289 K HA 0.204 4.524 4.320 0.001 0.000 0.279 289 K C 0.120 176.547 176.600 -0.287 0.000 1.027 289 K CA -0.163 55.815 56.287 -0.515 0.000 0.969 289 K CB 0.568 32.656 32.500 -0.688 0.000 0.954 289 K HN 0.571 nan 8.250 nan 0.000 0.474 290 K N 0.848 121.084 120.400 -0.274 0.000 2.098 290 K HA 0.218 4.538 4.320 0.001 0.000 0.244 290 K C 1.089 177.641 176.600 -0.080 0.000 1.014 290 K CA -0.375 55.827 56.287 -0.141 0.000 0.917 290 K CB 0.860 33.290 32.500 -0.117 0.000 1.072 290 K HN 0.609 nan 8.250 nan 0.000 0.477 291 A N 1.099 123.897 122.820 -0.037 0.000 1.978 291 A HA -0.204 4.116 4.320 0.001 0.000 0.220 291 A C 2.144 179.718 177.584 -0.017 0.000 1.170 291 A CA 2.165 54.217 52.037 0.025 0.000 0.636 291 A CB -0.936 18.071 19.000 0.012 0.000 0.810 291 A HN 0.789 nan 8.150 nan 0.000 0.448 292 A N -1.442 121.336 122.820 -0.070 0.000 1.933 292 A HA -0.106 4.214 4.320 0.001 0.000 0.218 292 A C 2.079 179.531 177.584 -0.219 0.000 1.175 292 A CA 1.601 53.565 52.037 -0.122 0.000 0.628 292 A CB -0.746 18.157 19.000 -0.161 0.000 0.814 292 A HN 0.762 nan 8.150 nan 0.000 0.444 293 Y N 1.358 121.453 120.300 -0.342 0.000 2.145 293 Y HA -0.201 4.349 4.550 0.001 0.000 0.286 293 Y C 2.575 178.318 175.900 -0.263 0.000 1.145 293 Y CA 2.387 60.248 58.100 -0.399 0.000 1.148 293 Y CB -0.718 37.405 38.460 -0.561 0.000 0.981 293 Y HN 0.305 nan 8.280 nan 0.000 0.507 294 T N 0.717 115.280 114.554 0.014 0.000 2.788 294 T HA -0.180 4.171 4.350 0.001 0.000 0.268 294 T C 2.104 176.753 174.700 -0.084 0.000 1.044 294 T CA 1.355 63.461 62.100 0.010 0.000 1.139 294 T CB -0.743 68.184 68.868 0.099 0.000 0.867 294 T HN 0.499 nan 8.240 nan 0.000 0.454 295 A N 0.935 123.713 122.820 -0.071 0.000 1.898 295 A HA -0.016 4.305 4.320 0.001 0.000 0.216 295 A C 2.583 180.102 177.584 -0.107 0.000 1.181 295 A CA 1.199 53.207 52.037 -0.049 0.000 0.620 295 A CB -0.925 18.066 19.000 -0.015 0.000 0.819 295 A HN 0.355 nan 8.150 nan 0.000 0.442 296 V N -0.349 119.440 119.914 -0.208 0.000 2.307 296 V HA -0.210 3.910 4.120 0.001 0.000 0.245 296 V C 2.484 178.387 176.094 -0.319 0.000 1.045 296 V CA 1.893 64.049 62.300 -0.241 0.000 1.024 296 V CB -0.750 30.852 31.823 -0.368 0.000 0.651 296 V HN 0.580 nan 8.190 nan 0.000 0.449 297 L N 1.069 122.010 121.223 -0.471 0.000 2.046 297 L HA -0.186 4.155 4.340 0.001 0.000 0.208 297 L C 2.187 178.942 176.870 -0.193 0.000 1.077 297 L CA 2.478 57.083 54.840 -0.393 0.000 0.747 297 L CB -0.972 40.826 42.059 -0.435 0.000 0.896 297 L HN 0.474 nan 8.230 nan 0.000 0.432 298 N N -0.362 118.257 118.700 -0.136 0.000 2.120 298 N HA -0.180 4.561 4.740 0.001 0.000 0.188 298 N C 1.811 177.287 175.510 -0.056 0.000 1.024 298 N CA 1.687 54.697 53.050 -0.067 0.000 0.852 298 N CB -0.256 38.212 38.487 -0.031 0.000 1.003 298 N HN 0.466 nan 8.380 nan 0.000 0.424 299 A N 0.637 123.421 122.820 -0.060 0.000 1.877 299 A HA -0.071 4.250 4.320 0.001 0.000 0.216 299 A C 2.301 179.865 177.584 -0.034 0.000 1.186 299 A CA 1.277 53.294 52.037 -0.034 0.000 0.620 299 A CB -0.969 18.020 19.000 -0.018 0.000 0.822 299 A HN 0.384 nan 8.150 nan 0.000 0.443 300 L N -0.230 120.958 121.223 -0.057 0.000 2.191 300 L HA -0.155 4.185 4.340 0.001 0.000 0.212 300 L C 1.454 178.301 176.870 -0.038 0.000 1.103 300 L CA 0.912 55.727 54.840 -0.042 0.000 0.769 300 L CB -0.539 41.472 42.059 -0.079 0.000 0.908 300 L HN 0.348 nan 8.230 nan 0.000 0.438 301 N N 0.294 118.965 118.700 -0.049 0.000 2.383 301 N HA 0.050 4.790 4.740 0.001 0.000 0.192 301 N C 1.031 176.528 175.510 -0.022 0.000 1.141 301 N CA 0.949 53.978 53.050 -0.035 0.000 0.851 301 N CB 0.733 39.197 38.487 -0.039 0.000 0.976 301 N HN 0.399 nan 8.380 nan 0.000 0.465 302 G N -0.248 108.540 108.800 -0.020 0.000 2.173 302 G HA2 -0.037 3.923 3.960 0.001 0.000 0.174 302 G HA3 -0.037 3.923 3.960 0.001 0.000 0.174 302 G C 0.513 175.407 174.900 -0.011 0.000 1.025 302 G CA 0.230 45.322 45.100 -0.013 0.000 0.706 302 G HN 0.614 nan 8.290 nan 0.000 0.499 314 Q N -0.913 118.956 119.800 0.114 0.000 2.368 314 Q HA 0.597 4.937 4.340 0.001 0.000 0.237 314 Q C -0.451 175.626 176.000 0.129 0.000 0.987 314 Q CA 0.016 55.912 55.803 0.154 0.000 0.896 314 Q CB 1.814 30.616 28.738 0.106 0.000 1.241 314 Q HN 0.393 nan 8.270 nan 0.000 0.485 315 I N 1.612 122.254 120.570 0.119 0.000 2.448 315 I HA 0.271 4.441 4.170 0.001 0.000 0.281 315 I C -0.556 175.640 176.117 0.131 0.000 1.027 315 I CA -0.490 60.825 61.300 0.024 0.000 1.111 315 I CB 1.406 39.255 38.000 -0.252 0.000 1.236 315 I HN 0.391 nan 8.210 nan 0.000 0.452 316 K N 4.862 125.361 120.400 0.166 0.000 2.185 316 K HA 0.567 4.887 4.320 0.001 0.000 0.269 316 K C 0.170 176.878 176.600 0.179 0.000 0.987 316 K CA -0.468 55.917 56.287 0.162 0.000 0.865 316 K CB 1.602 34.142 32.500 0.067 0.000 1.090 316 K HN 0.726 nan 8.250 nan 0.000 0.450 317 G N 2.463 111.307 108.800 0.072 0.000 2.364 317 G HA2 0.136 4.097 3.960 0.001 0.000 0.267 317 G HA3 0.136 4.097 3.960 0.001 0.000 0.267 317 G C 0.942 175.651 174.900 -0.319 0.000 1.233 317 G CA -0.674 44.168 45.100 -0.431 0.000 0.885 317 G HN 0.506 nan 8.290 nan 0.000 0.490 318 V N 3.804 123.490 119.914 -0.380 0.000 2.261 318 V HA -0.150 3.970 4.120 0.001 0.000 0.246 318 V C 3.030 178.996 176.094 -0.214 0.000 1.047 318 V CA 2.570 64.727 62.300 -0.238 0.000 1.015 318 V CB -1.009 30.680 31.823 -0.224 0.000 0.642 318 V HN 0.778 nan 8.190 nan 0.000 0.446 319 G N -0.206 108.434 108.800 -0.267 0.000 2.432 319 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 319 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 319 G C 1.796 176.597 174.900 -0.165 0.000 1.135 319 G CA 1.415 46.394 45.100 -0.202 0.000 0.767 319 G HN 0.658 nan 8.290 nan 0.000 0.550 320 S N -1.204 114.386 115.700 -0.184 0.000 2.483 320 S HA 0.360 4.830 4.470 0.001 0.000 0.221 320 S C 1.981 176.520 174.600 -0.101 0.000 1.030 320 S CA 1.092 59.215 58.200 -0.129 0.000 0.925 320 S CB 0.056 63.185 63.200 -0.119 0.000 0.795 320 S HN 1.513 nan 8.310 nan 0.000 0.511 321 G N 1.544 110.281 108.800 -0.104 0.000 2.162 321 G HA2 -0.259 3.701 3.960 0.001 0.000 0.260 321 G HA3 -0.259 3.701 3.960 0.001 0.000 0.260 321 G C 0.120 174.991 174.900 -0.048 0.000 0.976 321 G CA 0.309 45.366 45.100 -0.070 0.000 0.655 321 G HN 0.609 nan 8.290 nan 0.000 0.533 322 R N -1.167 119.307 120.500 -0.043 0.000 2.758 322 R HA 0.661 5.002 4.340 0.001 0.000 0.265 322 R C -0.104 176.230 176.300 0.056 0.000 1.016 322 R CA -0.385 55.707 56.100 -0.013 0.000 1.040 322 R CB 1.313 31.594 30.300 -0.031 0.000 1.152 322 R HN 0.198 nan 8.270 nan 0.000 0.503 323 c N 1.493 120.136 118.600 0.071 0.000 2.364 323 c HA 0.304 4.875 4.570 0.001 0.000 0.356 323 c C 0.027 174.208 174.090 0.152 0.000 1.201 323 c CA -0.737 55.663 56.329 0.117 0.000 2.227 323 c CB 0.658 43.212 42.510 0.072 0.000 2.387 323 c HN 0.603 nan 8.230 nan 0.000 0.546 324 L N 3.909 125.210 121.223 0.129 0.000 2.534 324 L HA 0.235 4.575 4.340 0.001 0.000 0.271 324 L C 0.050 177.086 176.870 0.275 0.000 1.178 324 L CA 1.286 56.148 54.840 0.037 0.000 0.907 324 L CB -0.273 41.535 42.059 -0.418 0.000 1.164 324 L HN 0.685 nan 8.230 nan 0.000 0.482 325 D N 3.873 124.409 120.400 0.228 0.000 2.738 325 D HA 0.261 4.902 4.640 0.001 0.000 0.237 325 D C -1.399 175.021 176.300 0.200 0.000 1.123 325 D CA -0.455 53.673 54.000 0.214 0.000 0.856 325 D CB 2.370 43.250 40.800 0.134 0.000 1.552 325 D HN 0.243 nan 8.370 nan 0.000 0.480 326 V N 4.424 124.434 119.914 0.159 0.000 2.334 326 V HA 0.263 4.383 4.120 0.001 0.000 0.267 326 V C -2.065 174.086 176.094 0.096 0.000 1.040 326 V CA -1.563 60.827 62.300 0.150 0.000 0.866 326 V CB 0.898 32.804 31.823 0.139 0.000 1.019 326 V HN 0.475 nan 8.190 nan 0.000 0.468 327 P HA -0.075 nan 4.420 nan 0.000 0.257 327 P C 0.476 177.782 177.300 0.010 0.000 1.153 327 P CA 0.711 63.821 63.100 0.018 0.000 0.762 327 P CB -0.005 31.721 31.700 0.042 0.000 0.743 328 N N 2.888 121.563 118.700 -0.042 0.000 2.721 328 N HA -0.286 4.455 4.740 0.001 0.000 0.249 328 N C 0.433 175.942 175.510 -0.000 0.000 1.072 328 N CA 1.271 54.301 53.050 -0.033 0.000 0.710 328 N CB -1.623 36.850 38.487 -0.023 0.000 0.993 328 N HN 0.719 nan 8.380 nan 0.000 0.547 329 A N -1.496 121.352 122.820 0.047 0.000 2.799 329 A HA -0.280 4.040 4.320 0.001 0.000 0.287 329 A C 0.846 178.452 177.584 0.036 0.000 1.484 329 A CA 1.543 53.647 52.037 0.111 0.000 0.813 329 A CB -1.834 17.195 19.000 0.048 0.000 1.009 329 A HN 0.954 nan 8.150 nan 0.000 0.545 330 S N -0.648 115.083 115.700 0.053 0.000 2.579 330 S HA 0.451 4.921 4.470 0.001 0.000 0.275 330 S C 1.388 175.965 174.600 -0.038 0.000 1.345 330 S CA 0.911 59.108 58.200 -0.006 0.000 1.031 330 S CB 0.592 63.814 63.200 0.036 0.000 0.892 330 S HN 1.576 nan 8.310 nan 0.000 0.529 331 T N 0.107 114.577 114.554 -0.140 0.000 3.091 331 T HA 0.244 4.595 4.350 0.001 0.000 0.277 331 T C 0.214 174.893 174.700 -0.035 0.000 0.996 331 T CA -0.368 61.628 62.100 -0.174 0.000 0.897 331 T CB -0.279 68.359 68.868 -0.382 0.000 1.109 331 T HN 0.505 nan 8.240 nan 0.000 0.534 332 T N 3.770 118.322 114.554 -0.002 0.000 2.834 332 T HA 0.225 4.575 4.350 0.001 0.000 0.298 332 T C -0.213 174.524 174.700 0.062 0.000 0.966 332 T CA -0.195 61.915 62.100 0.016 0.000 1.141 332 T CB 0.377 69.258 68.868 0.021 0.000 0.905 332 T HN 0.249 nan 8.240 nan 0.000 0.535 333 D N 1.996 122.420 120.400 0.040 0.000 2.488 333 D HA 0.367 5.007 4.640 0.001 0.000 0.238 333 D C 1.401 177.807 176.300 0.177 0.000 1.138 333 D CA 1.427 55.481 54.000 0.090 0.000 0.873 333 D CB 0.406 41.167 40.800 -0.066 0.000 1.183 333 D HN 0.834 nan 8.370 nan 0.000 0.458 334 G N 1.664 110.621 108.800 0.261 0.000 2.176 334 G HA2 -0.261 3.699 3.960 0.001 0.000 0.232 334 G HA3 -0.261 3.699 3.960 0.001 0.000 0.232 334 G C 0.484 175.475 174.900 0.152 0.000 0.986 334 G CA 0.156 45.380 45.100 0.207 0.000 0.643 334 G HN 0.570 nan 8.290 nan 0.000 0.522 335 T N 1.634 116.279 114.554 0.151 0.000 2.738 335 T HA 0.419 4.769 4.350 0.001 0.000 0.293 335 T C 0.457 175.239 174.700 0.137 0.000 0.913 335 T CA 0.282 62.459 62.100 0.128 0.000 1.103 335 T CB 1.361 70.305 68.868 0.126 0.000 0.880 335 T HN 0.537 nan 8.240 nan 0.000 0.526 336 Q N 3.476 123.344 119.800 0.112 0.000 2.337 336 Q HA 0.301 4.641 4.340 0.001 0.000 0.270 336 Q C 0.279 176.340 176.000 0.101 0.000 1.002 336 Q CA -0.666 55.198 55.803 0.102 0.000 0.888 336 Q CB 0.577 29.366 28.738 0.084 0.000 1.222 336 Q HN 0.646 nan 8.270 nan 0.000 0.400 337 V N 1.696 121.664 119.914 0.089 0.000 3.133 337 V HA 0.408 4.528 4.120 0.001 0.000 0.305 337 V C -0.347 175.790 176.094 0.071 0.000 1.084 337 V CA -0.281 62.074 62.300 0.090 0.000 1.089 337 V CB 1.196 33.044 31.823 0.042 0.000 1.073 337 V HN 1.013 nan 8.190 nan 0.000 0.477 338 Q N 1.958 121.814 119.800 0.093 0.000 2.687 338 Q HA 0.665 5.005 4.340 0.001 0.000 0.305 338 Q C -1.611 174.472 176.000 0.138 0.000 1.006 338 Q CA -1.150 54.719 55.803 0.110 0.000 0.763 338 Q CB 2.192 31.006 28.738 0.127 0.000 1.506 338 Q HN 0.703 nan 8.270 nan 0.000 0.459 339 L N 1.126 122.441 121.223 0.154 0.000 2.325 339 L HA 0.646 4.987 4.340 0.001 0.000 0.279 339 L C -1.199 175.794 176.870 0.205 0.000 1.054 339 L CA -0.770 54.165 54.840 0.159 0.000 0.804 339 L CB 1.025 43.149 42.059 0.108 0.000 1.200 339 L HN 0.653 nan 8.230 nan 0.000 0.436 340 Y N 0.630 120.941 120.300 0.017 0.000 2.624 340 Y HA 0.197 4.747 4.550 0.001 0.000 0.334 340 Y C -0.777 175.093 175.900 -0.051 0.000 1.155 340 Y CA -1.169 56.924 58.100 -0.012 0.000 1.046 340 Y CB 1.608 40.058 38.460 -0.018 0.000 1.316 340 Y HN 0.538 nan 8.280 nan 0.000 0.457 341 D N 2.664 122.773 120.400 -0.484 0.000 2.531 341 D HA 0.007 4.648 4.640 0.001 0.000 0.239 341 D C -0.147 176.118 176.300 -0.059 0.000 1.144 341 D CA 0.729 54.593 54.000 -0.226 0.000 0.869 341 D CB 0.359 40.998 40.800 -0.267 0.000 1.160 341 D HN 0.479 nan 8.370 nan 0.000 0.484 342 c N 4.235 122.806 118.600 -0.048 0.000 2.642 342 c HA 0.210 4.781 4.570 0.001 0.000 0.420 342 c C 0.870 174.978 174.090 0.029 0.000 1.349 342 c CA -0.126 56.175 56.329 -0.047 0.000 1.821 342 c CB -1.125 41.389 42.510 0.006 0.000 2.637 342 c HN 0.719 nan 8.230 nan 0.000 0.605 343 H N -0.884 118.248 119.070 0.103 0.000 2.928 343 H HA 0.347 4.904 4.556 0.001 0.000 0.285 343 H C -0.103 175.258 175.328 0.056 0.000 1.438 343 H CA -0.671 55.424 56.048 0.079 0.000 1.176 343 H CB 0.830 30.650 29.762 0.097 0.000 1.864 343 H HN 0.315 nan 8.280 nan 0.000 0.567 344 S N -0.407 115.453 115.700 0.266 0.000 2.556 344 S HA 0.275 4.745 4.470 0.001 0.000 0.216 344 S C 0.893 175.544 174.600 0.085 0.000 0.970 344 S CA 0.121 58.405 58.200 0.141 0.000 0.912 344 S CB -0.090 63.148 63.200 0.063 0.000 0.790 344 S HN 0.706 nan 8.310 nan 0.000 0.504 345 A N 1.944 124.782 122.820 0.030 0.000 2.448 345 A HA 0.280 4.600 4.320 0.001 0.000 0.239 345 A C 1.764 179.367 177.584 0.031 0.000 1.080 345 A CA 0.386 52.382 52.037 -0.068 0.000 0.779 345 A CB -0.067 18.752 19.000 -0.301 0.000 1.026 345 A HN 0.436 nan 8.150 nan 0.000 0.499 346 T N -0.375 114.179 114.554 0.000 0.000 2.881 346 T HA -0.178 4.172 4.350 0.001 0.000 0.270 346 T C 1.085 175.683 174.700 -0.169 0.000 1.068 346 T CA 1.325 63.402 62.100 -0.039 0.000 1.131 346 T CB -0.566 68.333 68.868 0.051 0.000 0.871 346 T HN 0.826 nan 8.240 nan 0.000 0.479 347 N N 1.083 119.759 118.700 -0.040 0.000 2.575 347 N HA -0.057 4.683 4.740 0.001 0.000 0.192 347 N C 1.131 176.507 175.510 -0.224 0.000 1.200 347 N CA 0.325 53.274 53.050 -0.167 0.000 0.897 347 N CB -0.200 38.353 38.487 0.110 0.000 0.990 347 N HN 0.585 nan 8.380 nan 0.000 0.449 348 Q N -0.715 118.984 119.800 -0.168 0.000 2.103 348 Q HA 0.170 4.510 4.340 0.001 0.000 0.219 348 Q C -0.677 175.232 176.000 -0.150 0.000 0.784 348 Q CA -0.222 55.542 55.803 -0.065 0.000 1.014 348 Q CB 0.757 29.531 28.738 0.060 0.000 1.183 348 Q HN 0.257 nan 8.270 nan 0.000 0.469 349 Q N 0.071 119.639 119.800 -0.387 0.000 2.372 349 Q HA 0.218 4.558 4.340 0.001 0.000 0.259 349 Q C -1.256 174.455 176.000 -0.483 0.000 0.993 349 Q CA 0.201 55.843 55.803 -0.268 0.000 0.854 349 Q CB 0.501 29.142 28.738 -0.163 0.000 1.231 349 Q HN 0.111 nan 8.270 nan 0.000 0.462 350 W N 1.277 122.522 121.300 -0.091 0.000 2.529 350 W HA 0.432 5.093 4.660 0.001 0.000 0.321 350 W C 0.038 176.532 176.519 -0.042 0.000 1.047 350 W CA -0.535 56.751 57.345 -0.100 0.000 1.216 350 W CB 1.595 30.965 29.460 -0.151 0.000 1.357 350 W HN 0.180 nan 8.180 nan 0.000 0.489 351 T N 3.065 117.734 114.554 0.191 0.000 2.779 351 T HA 0.161 4.512 4.350 0.001 0.000 0.280 351 T C -1.416 173.434 174.700 0.250 0.000 0.987 351 T CA -0.435 61.766 62.100 0.168 0.000 0.966 351 T CB 0.497 69.422 68.868 0.095 0.000 0.933 351 T HN 0.141 nan 8.240 nan 0.000 0.442 352 Y N 4.464 124.808 120.300 0.074 0.000 2.383 352 Y HA 0.399 4.949 4.550 0.001 0.000 0.344 352 Y C 0.895 176.831 175.900 0.060 0.000 0.986 352 Y CA -1.284 56.855 58.100 0.065 0.000 1.175 352 Y CB 0.006 38.493 38.460 0.045 0.000 1.152 352 Y HN 0.736 nan 8.280 nan 0.000 0.511 353 T N 0.766 115.304 114.554 -0.026 0.000 2.881 353 T HA 0.189 4.540 4.350 0.001 0.000 0.278 353 T C 0.762 175.307 174.700 -0.258 0.000 0.982 353 T CA -0.680 61.362 62.100 -0.097 0.000 0.989 353 T CB 0.955 69.814 68.868 -0.014 0.000 1.058 353 T HN 0.537 nan 8.240 nan 0.000 0.529 354 D N 0.502 120.812 120.400 -0.150 0.000 2.350 354 D HA 0.042 4.682 4.640 0.001 0.000 0.216 354 D C 1.738 177.963 176.300 -0.124 0.000 0.968 354 D CA 0.887 54.800 54.000 -0.145 0.000 0.894 354 D CB -0.249 40.511 40.800 -0.065 0.000 0.909 354 D HN 0.741 nan 8.370 nan 0.000 0.520 355 A N -0.281 122.478 122.820 -0.103 0.000 2.337 355 A HA 0.449 4.770 4.320 0.001 0.000 0.227 355 A C 1.675 179.210 177.584 -0.083 0.000 1.259 355 A CA 0.667 52.663 52.037 -0.069 0.000 0.870 355 A CB -0.089 18.887 19.000 -0.039 0.000 0.927 355 A HN 0.174 nan 8.150 nan 0.000 0.497 356 G N -0.261 108.439 108.800 -0.166 0.000 2.148 356 G HA2 -0.255 3.705 3.960 0.001 0.000 0.254 356 G HA3 -0.255 3.705 3.960 0.001 0.000 0.254 356 G C -0.110 174.905 174.900 0.191 0.000 0.981 356 G CA 0.517 45.566 45.100 -0.086 0.000 0.670 356 G HN 0.663 nan 8.290 nan 0.000 0.528 357 E N -0.801 119.490 120.200 0.153 0.000 2.318 357 E HA 0.677 5.028 4.350 0.001 0.000 0.265 357 E C 0.209 177.050 176.600 0.403 0.000 1.069 357 E CA -0.647 55.933 56.400 0.299 0.000 0.893 357 E CB 1.260 31.067 29.700 0.178 0.000 1.076 357 E HN 0.203 nan 8.360 nan 0.000 0.414 358 L N 2.522 123.967 121.223 0.371 0.000 2.337 358 L HA 0.377 4.717 4.340 0.001 0.000 0.269 358 L C -0.155 176.934 176.870 0.364 0.000 1.018 358 L CA -0.360 54.642 54.840 0.270 0.000 0.876 358 L CB 0.639 42.631 42.059 -0.112 0.000 1.236 358 L HN 0.310 nan 8.230 nan 0.000 0.436 359 R N 1.836 122.513 120.500 0.295 0.000 2.500 359 R HA 0.711 5.052 4.340 0.001 0.000 0.277 359 R C -0.921 175.375 176.300 -0.007 0.000 1.026 359 R CA -0.643 55.566 56.100 0.182 0.000 1.058 359 R CB 2.739 33.105 30.300 0.111 0.000 1.078 359 R HN 0.263 nan 8.270 nan 0.000 0.509 360 V N 3.108 122.885 119.914 -0.228 0.000 2.888 360 V HA 0.223 4.343 4.120 0.001 0.000 0.309 360 V C -1.112 174.735 176.094 -0.411 0.000 1.114 360 V CA -0.403 61.483 62.300 -0.690 0.000 0.940 360 V CB 1.322 32.240 31.823 -1.507 0.000 1.021 360 V HN 0.914 nan 8.190 nan 0.000 0.426 361 Y N 4.044 124.225 120.300 -0.199 0.000 4.881 361 Y HA -0.226 4.324 4.550 0.001 0.000 0.241 361 Y C 1.687 177.547 175.900 -0.066 0.000 0.985 361 Y CA 1.644 59.673 58.100 -0.118 0.000 1.976 361 Y CB -1.933 36.465 38.460 -0.103 0.000 1.528 361 Y HN 1.777 nan 8.280 nan 0.000 0.581 362 G N -0.695 108.136 108.800 0.052 0.000 2.454 362 G HA2 -0.372 3.589 3.960 0.001 0.000 0.225 362 G HA3 -0.372 3.589 3.960 0.001 0.000 0.225 362 G C 0.530 175.469 174.900 0.065 0.000 1.138 362 G CA 0.642 45.772 45.100 0.050 0.000 0.667 362 G HN 0.479 nan 8.290 nan 0.000 0.512 363 D N 0.498 120.952 120.400 0.089 0.000 2.563 363 D HA 0.290 4.931 4.640 0.001 0.000 0.237 363 D C 0.238 176.609 176.300 0.117 0.000 1.282 363 D CA 0.019 54.073 54.000 0.090 0.000 0.816 363 D CB 0.164 41.005 40.800 0.068 0.000 1.066 363 D HN 0.223 nan 8.370 nan 0.000 0.501 364 K N 0.071 120.555 120.400 0.141 0.000 2.207 364 K HA 0.493 4.813 4.320 0.001 0.000 0.255 364 K C -0.750 175.965 176.600 0.192 0.000 0.941 364 K CA -0.558 55.835 56.287 0.177 0.000 0.825 364 K CB 1.787 34.431 32.500 0.241 0.000 1.119 364 K HN -0.030 nan 8.250 nan 0.000 0.430 365 c N 2.271 121.028 118.600 0.261 0.000 2.456 365 c HA 0.354 4.925 4.570 0.001 0.000 0.325 365 c C -0.092 174.219 174.090 0.368 0.000 1.217 365 c CA -0.985 55.529 56.329 0.309 0.000 1.687 365 c CB 0.939 43.620 42.510 0.285 0.000 2.270 365 c HN 0.747 nan 8.230 nan 0.000 0.499 366 L N 4.244 125.686 121.223 0.366 0.000 2.513 366 L HA 0.255 4.596 4.340 0.001 0.000 0.272 366 L C 0.058 177.201 176.870 0.454 0.000 1.187 366 L CA 1.407 56.376 54.840 0.216 0.000 0.895 366 L CB -0.022 41.836 42.059 -0.336 0.000 1.147 366 L HN 0.685 nan 8.230 nan 0.000 0.483 367 D N 4.353 124.988 120.400 0.391 0.000 2.780 367 D HA 0.518 5.158 4.640 0.001 0.000 0.242 367 D C -1.413 175.078 176.300 0.318 0.000 1.135 367 D CA -0.479 53.749 54.000 0.379 0.000 0.859 367 D CB 2.140 43.133 40.800 0.322 0.000 1.530 367 D HN 0.700 nan 8.370 nan 0.000 0.493 368 A N 2.295 125.262 122.820 0.244 0.000 2.260 368 A HA 0.595 4.915 4.320 0.001 0.000 0.308 368 A C 0.710 178.332 177.584 0.064 0.000 1.254 368 A CA -0.105 52.029 52.037 0.160 0.000 0.874 368 A CB 1.117 20.157 19.000 0.068 0.000 1.153 368 A HN 0.585 nan 8.150 nan 0.000 0.527 369 A N 2.231 125.086 122.820 0.059 0.000 2.252 369 A HA 0.503 4.824 4.320 0.001 0.000 0.207 369 A C 1.085 178.673 177.584 0.006 0.000 1.194 369 A CA 1.212 53.259 52.037 0.016 0.000 0.809 369 A CB -0.530 18.488 19.000 0.029 0.000 0.814 369 A HN 1.893 nan 8.150 nan 0.000 0.482 370 G N -2.382 106.424 108.800 0.009 0.000 2.435 370 G HA2 0.375 4.336 3.960 0.001 0.000 0.296 370 G HA3 0.375 4.336 3.960 0.001 0.000 0.296 370 G C 0.249 175.141 174.900 -0.013 0.000 1.240 370 G CA 0.705 45.804 45.100 -0.002 0.000 0.872 370 G HN 0.512 nan 8.290 nan 0.000 0.480 371 T N -2.622 111.920 114.554 -0.019 0.000 2.969 371 T HA 0.465 4.815 4.350 0.001 0.000 0.258 371 T C 1.184 175.861 174.700 -0.037 0.000 0.962 371 T CA 1.195 63.275 62.100 -0.033 0.000 0.903 371 T CB 0.549 69.394 68.868 -0.038 0.000 1.177 371 T HN 1.265 nan 8.240 nan 0.000 0.511 372 G N 1.529 110.308 108.800 -0.035 0.000 2.547 372 G HA2 0.480 4.441 3.960 0.001 0.000 0.291 372 G HA3 0.480 4.441 3.960 0.001 0.000 0.291 372 G C -0.389 174.464 174.900 -0.078 0.000 1.211 372 G CA -0.733 44.331 45.100 -0.059 0.000 0.950 372 G HN 0.224 nan 8.290 nan 0.000 0.504 373 N N -0.394 118.210 118.700 -0.160 0.000 2.407 373 N HA 0.240 4.980 4.740 0.001 0.000 0.250 373 N C 1.354 176.817 175.510 -0.079 0.000 1.236 373 N CA 1.431 54.320 53.050 -0.268 0.000 0.879 373 N CB 1.021 39.144 38.487 -0.607 0.000 1.088 373 N HN 1.117 nan 8.380 nan 0.000 0.450 374 G N 0.576 109.409 108.800 0.055 0.000 2.179 374 G HA2 -0.293 3.667 3.960 0.001 0.000 0.260 374 G HA3 -0.293 3.667 3.960 0.001 0.000 0.260 374 G C 0.212 175.163 174.900 0.085 0.000 0.977 374 G CA 0.528 45.700 45.100 0.121 0.000 0.641 374 G HN 0.631 nan 8.290 nan 0.000 0.533 375 T N 1.335 115.927 114.554 0.064 0.000 2.902 375 T HA 0.336 4.687 4.350 0.001 0.000 0.301 375 T C 0.704 175.455 174.700 0.085 0.000 1.012 375 T CA 0.647 62.784 62.100 0.061 0.000 1.151 375 T CB 1.119 70.016 68.868 0.048 0.000 0.946 375 T HN 0.543 nan 8.240 nan 0.000 0.542 376 K N 3.164 123.610 120.400 0.077 0.000 2.412 376 K HA 0.232 4.553 4.320 0.001 0.000 0.281 376 K C -0.853 175.806 176.600 0.099 0.000 1.027 376 K CA -0.407 55.930 56.287 0.084 0.000 0.989 376 K CB 0.385 32.929 32.500 0.074 0.000 0.935 376 K HN 0.295 nan 8.250 nan 0.000 0.475 377 V N 5.977 125.946 119.914 0.093 0.000 2.370 377 V HA 0.213 4.333 4.120 0.001 0.000 0.283 377 V C 0.076 176.216 176.094 0.077 0.000 1.023 377 V CA -0.365 61.991 62.300 0.093 0.000 0.857 377 V CB 0.995 32.825 31.823 0.011 0.000 0.985 377 V HN 0.992 nan 8.190 nan 0.000 0.443 378 Q N 5.573 125.448 119.800 0.126 0.000 3.019 378 Q HA 0.700 5.041 4.340 0.001 0.000 0.337 378 Q C -1.046 175.087 176.000 0.221 0.000 0.900 378 Q CA -0.974 54.923 55.803 0.157 0.000 0.800 378 Q CB 2.601 31.440 28.738 0.168 0.000 1.437 378 Q HN 0.654 nan 8.270 nan 0.000 0.505 379 I N -1.937 118.790 120.570 0.262 0.000 2.562 379 I HA 0.788 4.958 4.170 0.001 0.000 0.301 379 I C -1.432 174.905 176.117 0.366 0.000 1.003 379 I CA -0.996 60.492 61.300 0.313 0.000 1.127 379 I CB 1.787 39.962 38.000 0.291 0.000 1.304 379 I HN 0.717 nan 8.210 nan 0.000 0.446 380 Y N 2.304 122.732 120.300 0.213 0.000 2.592 380 Y HA 0.404 4.954 4.550 0.001 0.000 0.334 380 Y C -0.529 175.504 175.900 0.222 0.000 1.136 380 Y CA -0.724 57.497 58.100 0.202 0.000 1.042 380 Y CB 2.130 40.726 38.460 0.226 0.000 1.325 380 Y HN 0.778 nan 8.280 nan 0.000 0.457 381 S N 2.380 117.962 115.700 -0.196 0.000 2.563 381 S HA 0.041 4.512 4.470 0.001 0.000 0.294 381 S C -0.367 174.412 174.600 0.297 0.000 1.279 381 S CA -0.139 58.053 58.200 -0.013 0.000 1.069 381 S CB -0.403 62.688 63.200 -0.181 0.000 0.828 381 S HN 0.625 nan 8.310 nan 0.000 0.497 382 c N 5.419 124.172 118.600 0.256 0.000 2.648 382 c HA 0.199 4.770 4.570 0.001 0.000 0.419 382 c C 1.461 175.758 174.090 0.345 0.000 1.352 382 c CA -0.451 56.040 56.329 0.270 0.000 1.816 382 c CB -1.031 41.579 42.510 0.166 0.000 2.598 382 c HN 1.089 nan 8.230 nan 0.000 0.598 383 W N 1.143 122.524 121.300 0.134 0.000 1.807 383 W HA 0.380 5.041 4.660 0.001 0.000 0.251 383 W C 0.663 177.232 176.519 0.083 0.000 0.848 383 W CA 0.135 57.543 57.345 0.106 0.000 1.157 383 W CB -0.823 28.716 29.460 0.132 0.000 0.992 383 W HN 0.939 nan 8.180 nan 0.000 0.506 384 G N 1.345 109.892 108.800 -0.420 0.000 2.176 384 G HA2 -0.165 3.796 3.960 0.001 0.000 0.232 384 G HA3 -0.165 3.796 3.960 0.001 0.000 0.232 384 G C 0.638 175.056 174.900 -0.803 0.000 0.986 384 G CA -0.135 44.700 45.100 -0.443 0.000 0.643 384 G HN 0.671 nan 8.290 nan 0.000 0.522 385 G N -0.193 107.599 108.800 -1.680 0.000 2.491 385 G HA2 0.409 4.370 3.960 0.001 0.000 0.238 385 G HA3 0.409 4.370 3.960 0.001 0.000 0.238 385 G C 0.578 175.110 174.900 -0.613 0.000 1.277 385 G CA 0.480 44.732 45.100 -1.414 0.000 0.851 385 G HN 0.070 nan 8.290 nan 0.000 0.573 386 D N 0.130 120.303 120.400 -0.378 0.000 2.310 386 D HA -0.123 4.518 4.640 0.001 0.000 0.212 386 D C 2.100 178.197 176.300 -0.338 0.000 0.965 386 D CA 0.785 54.611 54.000 -0.290 0.000 0.879 386 D CB 0.163 40.847 40.800 -0.193 0.000 0.921 386 D HN 0.597 nan 8.370 nan 0.000 0.510 387 N N 0.254 118.782 118.700 -0.287 0.000 2.449 387 N HA -0.097 4.644 4.740 0.001 0.000 0.191 387 N C 0.623 175.944 175.510 -0.315 0.000 1.161 387 N CA 0.253 53.131 53.050 -0.287 0.000 0.863 387 N CB 0.090 38.513 38.487 -0.108 0.000 0.980 387 N HN 0.270 nan 8.380 nan 0.000 0.458 388 Q N -0.513 119.090 119.800 -0.329 0.000 2.139 388 Q HA 0.236 4.576 4.340 0.001 0.000 0.219 388 Q C -0.606 175.262 176.000 -0.219 0.000 0.805 388 Q CA -0.210 55.517 55.803 -0.126 0.000 1.024 388 Q CB 0.844 29.542 28.738 -0.067 0.000 1.163 388 Q HN 0.041 nan 8.270 nan 0.000 0.485 389 K N 0.449 120.524 120.400 -0.543 0.000 2.159 389 K HA 0.431 4.752 4.320 0.001 0.000 0.266 389 K C -1.452 174.722 176.600 -0.711 0.000 0.975 389 K CA 0.095 56.151 56.287 -0.386 0.000 0.865 389 K CB 0.912 33.251 32.500 -0.269 0.000 1.087 389 K HN -0.051 nan 8.250 nan 0.000 0.446 390 W N 1.467 122.803 121.300 0.060 0.000 3.032 390 W HA 0.502 5.162 4.660 0.001 0.000 0.335 390 W C -0.351 176.234 176.519 0.110 0.000 1.154 390 W CA -0.798 56.567 57.345 0.033 0.000 1.204 390 W CB 1.320 30.753 29.460 -0.047 0.000 1.416 390 W HN 0.129 nan 8.180 nan 0.000 0.521 391 R N 2.468 123.116 120.500 0.247 0.000 2.310 391 R HA 0.473 4.813 4.340 0.001 0.000 0.324 391 R C -0.787 175.565 176.300 0.087 0.000 0.955 391 R CA -0.879 55.329 56.100 0.180 0.000 0.830 391 R CB 1.160 31.517 30.300 0.096 0.000 1.154 391 R HN 0.395 nan 8.270 nan 0.000 0.458 392 L N 4.357 125.587 121.223 0.012 0.000 2.302 392 L HA 0.238 4.578 4.340 0.001 0.000 0.285 392 L C 0.037 176.907 176.870 0.000 0.000 1.090 392 L CA -0.542 54.239 54.840 -0.098 0.000 0.866 392 L CB 0.023 41.900 42.059 -0.305 0.000 1.244 392 L HN 0.449 nan 8.230 nan 0.000 0.435 393 N N 0.908 119.621 118.700 0.022 0.000 2.467 393 N HA 0.017 4.757 4.740 0.001 0.000 0.262 393 N C 1.283 176.806 175.510 0.023 0.000 1.234 393 N CA 0.051 53.121 53.050 0.034 0.000 0.952 393 N CB 1.454 39.966 38.487 0.042 0.000 1.158 393 N HN 0.529 nan 8.380 nan 0.000 0.463 394 S N 0.032 115.744 115.700 0.019 0.000 2.400 394 S HA -0.208 4.263 4.470 0.001 0.000 0.232 394 S C 0.905 175.510 174.600 0.009 0.000 1.025 394 S CA 1.313 59.519 58.200 0.010 0.000 0.993 394 S CB -0.265 62.938 63.200 0.004 0.000 0.808 394 S HN 0.724 nan 8.310 nan 0.000 0.478 395 D N 0.679 121.087 120.400 0.013 0.000 2.324 395 D HA 0.240 4.880 4.640 0.001 0.000 0.235 395 D C 1.364 177.671 176.300 0.011 0.000 1.095 395 D CA 0.560 54.565 54.000 0.008 0.000 0.871 395 D CB -0.755 40.049 40.800 0.008 0.000 0.906 395 D HN 0.611 nan 8.370 nan 0.000 0.522 396 G N 0.110 108.924 108.800 0.024 0.000 2.176 396 G HA2 -0.292 3.669 3.960 0.001 0.000 0.253 396 G HA3 -0.292 3.669 3.960 0.001 0.000 0.253 396 G C 0.389 175.357 174.900 0.114 0.000 0.979 396 G CA 0.457 45.584 45.100 0.045 0.000 0.641 396 G HN 0.844 nan 8.290 nan 0.000 0.530 397 S N -0.372 115.388 115.700 0.100 0.000 2.601 397 S HA 0.761 5.232 4.470 0.001 0.000 0.271 397 S C 0.015 174.695 174.600 0.132 0.000 1.305 397 S CA -0.608 57.687 58.200 0.158 0.000 1.022 397 S CB 1.914 65.176 63.200 0.104 0.000 0.940 397 S HN 0.638 nan 8.310 nan 0.000 0.525 398 I N 2.197 122.851 120.570 0.140 0.000 2.439 398 I HA 0.323 4.493 4.170 0.001 0.000 0.283 398 I C -1.116 175.087 176.117 0.144 0.000 1.023 398 I CA -0.858 60.457 61.300 0.025 0.000 1.100 398 I CB 1.820 39.664 38.000 -0.260 0.000 1.238 398 I HN 0.414 nan 8.210 nan 0.000 0.445 399 V N 4.770 124.790 119.914 0.177 0.000 2.435 399 V HA 0.499 4.620 4.120 0.001 0.000 0.290 399 V C 0.817 177.019 176.094 0.180 0.000 1.030 399 V CA -0.659 61.748 62.300 0.178 0.000 0.881 399 V CB 1.630 33.501 31.823 0.079 0.000 0.983 399 V HN 0.840 nan 8.190 nan 0.000 0.445 400 G N 2.801 111.640 108.800 0.065 0.000 2.364 400 G HA2 0.367 4.327 3.960 0.001 0.000 0.267 400 G HA3 0.367 4.327 3.960 0.001 0.000 0.267 400 G C 0.926 175.633 174.900 -0.322 0.000 1.233 400 G CA -0.278 44.553 45.100 -0.450 0.000 0.885 400 G HN 0.556 nan 8.290 nan 0.000 0.490 401 V N 2.252 121.936 119.914 -0.383 0.000 2.255 401 V HA -0.291 3.830 4.120 0.001 0.000 0.247 401 V C 2.877 178.849 176.094 -0.205 0.000 1.051 401 V CA 2.484 64.638 62.300 -0.243 0.000 1.018 401 V CB -0.693 30.989 31.823 -0.236 0.000 0.641 401 V HN 0.873 nan 8.190 nan 0.000 0.445 402 Q N 0.179 119.830 119.800 -0.247 0.000 2.050 402 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 402 Q C 2.428 178.350 176.000 -0.130 0.000 0.980 402 Q CA 2.398 58.099 55.803 -0.169 0.000 0.840 402 Q CB -0.130 28.503 28.738 -0.174 0.000 0.898 402 Q HN 0.784 nan 8.270 nan 0.000 0.424 403 S N -1.633 113.976 115.700 -0.151 0.000 2.406 403 S HA 0.101 4.571 4.470 0.001 0.000 0.224 403 S C 1.506 176.062 174.600 -0.074 0.000 1.030 403 S CA 0.869 59.011 58.200 -0.098 0.000 0.958 403 S CB 0.031 63.179 63.200 -0.087 0.000 0.811 403 S HN 0.707 nan 8.310 nan 0.000 0.489 404 G N 0.968 109.720 108.800 -0.081 0.000 2.148 404 G HA2 -0.199 3.762 3.960 0.001 0.000 0.254 404 G HA3 -0.199 3.762 3.960 0.001 0.000 0.254 404 G C -0.094 174.796 174.900 -0.016 0.000 0.981 404 G CA 0.505 45.575 45.100 -0.050 0.000 0.670 404 G HN 0.557 nan 8.290 nan 0.000 0.528 405 L N -0.704 120.518 121.223 -0.001 0.000 2.332 405 L HA 0.642 4.982 4.340 0.001 0.000 0.269 405 L C 0.824 177.762 176.870 0.114 0.000 1.016 405 L CA -1.218 53.649 54.840 0.045 0.000 0.809 405 L CB 1.649 43.727 42.059 0.032 0.000 1.280 405 L HN 0.165 nan 8.230 nan 0.000 0.447 406 c N 1.426 120.115 118.600 0.148 0.000 2.405 406 c HA 0.385 4.956 4.570 0.001 0.000 0.365 406 c C 0.536 174.760 174.090 0.223 0.000 1.233 406 c CA -0.748 55.694 56.329 0.190 0.000 2.230 406 c CB 0.758 43.375 42.510 0.178 0.000 2.443 406 c HN 0.512 nan 8.230 nan 0.000 0.556 407 L N 3.615 124.959 121.223 0.202 0.000 2.455 407 L HA 0.191 4.531 4.340 0.001 0.000 0.272 407 L C 0.199 177.263 176.870 0.324 0.000 1.174 407 L CA 1.014 55.923 54.840 0.115 0.000 0.869 407 L CB 0.146 42.039 42.059 -0.277 0.000 1.130 407 L HN 0.699 nan 8.230 nan 0.000 0.474 408 D N 3.261 123.824 120.400 0.272 0.000 2.964 408 D HA 0.348 4.989 4.640 0.001 0.000 0.234 408 D C -0.994 175.425 176.300 0.197 0.000 1.223 408 D CA -0.505 53.640 54.000 0.241 0.000 0.889 408 D CB 2.233 43.143 40.800 0.184 0.000 1.609 408 D HN 0.496 nan 8.370 nan 0.000 0.523 409 A N 3.758 126.663 122.820 0.141 0.000 2.376 409 A HA 0.385 4.705 4.320 0.001 0.000 0.298 409 A C 0.524 178.117 177.584 0.014 0.000 1.271 409 A CA -0.470 51.621 52.037 0.090 0.000 0.926 409 A CB 0.064 19.072 19.000 0.014 0.000 1.141 409 A HN 0.451 nan 8.150 nan 0.000 0.539 410 V N 2.983 122.917 119.914 0.033 0.000 2.717 410 V HA 0.089 4.209 4.120 0.001 0.000 0.302 410 V C 1.730 177.804 176.094 -0.034 0.000 1.097 410 V CA 1.879 64.182 62.300 0.005 0.000 1.262 410 V CB -0.728 31.116 31.823 0.035 0.000 0.846 410 V HN 1.918 nan 8.190 nan 0.000 0.485 411 G N 3.993 112.746 108.800 -0.079 0.000 2.233 411 G HA2 -0.043 3.917 3.960 0.001 0.000 0.270 411 G HA3 -0.043 3.917 3.960 0.001 0.000 0.270 411 G C 1.164 176.012 174.900 -0.086 0.000 1.011 411 G CA 0.714 45.763 45.100 -0.084 0.000 0.762 411 G HN 2.508 nan 8.290 nan 0.000 0.511 412 G N -1.621 107.118 108.800 -0.101 0.000 2.166 412 G HA2 0.142 4.103 3.960 0.001 0.000 0.260 412 G HA3 0.142 4.103 3.960 0.001 0.000 0.260 412 G C 1.435 176.288 174.900 -0.079 0.000 0.986 412 G CA 0.984 46.023 45.100 -0.100 0.000 0.683 412 G HN 2.177 nan 8.290 nan 0.000 0.527 413 G N -0.770 107.996 108.800 -0.056 0.000 2.484 413 G HA2 0.486 4.447 3.960 0.001 0.000 0.235 413 G HA3 0.486 4.447 3.960 0.001 0.000 0.235 413 G C 1.056 175.926 174.900 -0.049 0.000 1.282 413 G CA 1.138 46.214 45.100 -0.040 0.000 0.857 413 G HN 1.382 nan 8.290 nan 0.000 0.571 414 T N -1.931 112.594 114.554 -0.049 0.000 3.016 414 T HA 0.569 4.920 4.350 0.001 0.000 0.271 414 T C 0.982 175.652 174.700 -0.050 0.000 0.968 414 T CA 0.626 62.690 62.100 -0.060 0.000 0.891 414 T CB 0.269 69.093 68.868 -0.074 0.000 1.149 414 T HN 0.929 nan 8.240 nan 0.000 0.524 415 A N 2.131 124.929 122.820 -0.038 0.000 2.287 415 A HA 0.586 4.907 4.320 0.001 0.000 0.273 415 A C 0.233 177.798 177.584 -0.031 0.000 1.091 415 A CA -0.686 51.326 52.037 -0.042 0.000 0.817 415 A CB 0.050 19.033 19.000 -0.029 0.000 1.069 415 A HN 0.379 nan 8.150 nan 0.000 0.492 416 N N -0.076 118.582 118.700 -0.070 0.000 2.407 416 N HA 0.281 5.022 4.740 0.001 0.000 0.250 416 N C 1.171 176.733 175.510 0.087 0.000 1.236 416 N CA 1.738 54.762 53.050 -0.043 0.000 0.879 416 N CB 0.788 39.148 38.487 -0.212 0.000 1.088 416 N HN 1.287 nan 8.380 nan 0.000 0.450 417 G N 0.725 109.629 108.800 0.173 0.000 2.213 417 G HA2 -0.281 3.680 3.960 0.001 0.000 0.236 417 G HA3 -0.281 3.680 3.960 0.001 0.000 0.236 417 G C 0.177 175.135 174.900 0.096 0.000 0.991 417 G CA 0.268 45.452 45.100 0.140 0.000 0.629 417 G HN 0.621 nan 8.290 nan 0.000 0.517 418 T N 2.642 117.243 114.554 0.078 0.000 2.867 418 T HA 0.448 4.799 4.350 0.001 0.000 0.297 418 T C 1.019 175.766 174.700 0.078 0.000 0.989 418 T CA 0.235 62.371 62.100 0.060 0.000 1.159 418 T CB 0.767 69.659 68.868 0.040 0.000 0.928 418 T HN 0.385 nan 8.240 nan 0.000 0.538 419 L N 3.622 124.887 121.223 0.069 0.000 2.456 419 L HA 0.462 4.803 4.340 0.001 0.000 0.257 419 L C 0.282 177.199 176.870 0.078 0.000 1.162 419 L CA -1.034 53.850 54.840 0.074 0.000 0.808 419 L CB 0.396 42.495 42.059 0.067 0.000 1.136 419 L HN 0.384 nan 8.230 nan 0.000 0.466 420 I N 1.326 121.937 120.570 0.067 0.000 2.412 420 I HA 0.381 4.552 4.170 0.001 0.000 0.296 420 I C -0.070 176.085 176.117 0.063 0.000 0.987 420 I CA -0.288 61.048 61.300 0.061 0.000 1.180 420 I CB 1.456 39.441 38.000 -0.024 0.000 1.340 420 I HN 0.753 nan 8.210 nan 0.000 0.455 421 Q N 5.425 125.282 119.800 0.095 0.000 2.687 421 Q HA 0.720 5.060 4.340 0.001 0.000 0.305 421 Q C -1.842 174.253 176.000 0.158 0.000 1.006 421 Q CA -1.004 54.872 55.803 0.122 0.000 0.763 421 Q CB 2.402 31.227 28.738 0.146 0.000 1.506 421 Q HN 0.456 nan 8.270 nan 0.000 0.459 422 L N 1.037 122.361 121.223 0.170 0.000 2.325 422 L HA 0.650 4.990 4.340 0.001 0.000 0.279 422 L C -1.287 175.710 176.870 0.212 0.000 1.054 422 L CA -0.849 54.099 54.840 0.179 0.000 0.804 422 L CB 1.074 43.209 42.059 0.126 0.000 1.200 422 L HN 0.655 nan 8.230 nan 0.000 0.436 423 Y N 0.674 121.019 120.300 0.074 0.000 2.521 423 Y HA 0.121 4.671 4.550 0.001 0.000 0.328 423 Y C 0.058 175.987 175.900 0.048 0.000 1.151 423 Y CA -0.634 57.498 58.100 0.054 0.000 1.054 423 Y CB 2.045 40.536 38.460 0.051 0.000 1.338 423 Y HN 0.535 nan 8.280 nan 0.000 0.453 424 S N 3.278 118.959 115.700 -0.032 0.000 2.626 424 S HA 0.006 4.476 4.470 0.001 0.000 0.303 424 S C -0.144 174.572 174.600 0.194 0.000 1.256 424 S CA -0.144 58.091 58.200 0.059 0.000 1.069 424 S CB -0.599 62.597 63.200 -0.007 0.000 0.807 424 S HN 0.664 nan 8.310 nan 0.000 0.500 425 c N 5.114 123.786 118.600 0.120 0.000 2.596 425 c HA 0.251 4.821 4.570 0.001 0.000 0.414 425 c C 1.828 175.973 174.090 0.091 0.000 1.396 425 c CA 0.210 56.605 56.329 0.109 0.000 1.698 425 c CB -0.542 42.013 42.510 0.075 0.000 2.572 425 c HN 1.008 nan 8.230 nan 0.000 0.604 426 S N 0.371 116.116 115.700 0.075 0.000 2.733 426 S HA 0.126 4.596 4.470 0.001 0.000 0.247 426 S C 0.313 174.921 174.600 0.013 0.000 1.043 426 S CA 0.031 58.257 58.200 0.044 0.000 1.066 426 S CB -0.423 62.800 63.200 0.038 0.000 1.045 426 S HN 0.830 nan 8.310 nan 0.000 0.586 427 N N 1.192 119.898 118.700 0.010 0.000 2.782 427 N HA -0.103 4.638 4.740 0.001 0.000 0.251 427 N C 0.303 175.788 175.510 -0.042 0.000 1.101 427 N CA 0.909 53.952 53.050 -0.012 0.000 0.764 427 N CB -1.637 36.844 38.487 -0.009 0.000 1.122 427 N HN 0.756 nan 8.380 nan 0.000 0.561 428 G N -0.472 108.297 108.800 -0.052 0.000 2.572 428 G HA2 0.350 4.311 3.960 0.001 0.000 0.261 428 G HA3 0.350 4.311 3.960 0.001 0.000 0.261 428 G C 1.050 175.871 174.900 -0.132 0.000 1.197 428 G CA 0.046 45.096 45.100 -0.084 0.000 0.870 428 G HN 0.342 nan 8.290 nan 0.000 0.548 429 S N 0.269 115.880 115.700 -0.148 0.000 2.440 429 S HA -0.189 4.282 4.470 0.001 0.000 0.238 429 S C 1.703 176.119 174.600 -0.307 0.000 1.010 429 S CA 1.361 59.440 58.200 -0.202 0.000 0.972 429 S CB -0.280 62.820 63.200 -0.167 0.000 0.774 429 S HN 0.743 nan 8.310 nan 0.000 0.501 430 N N 0.841 119.382 118.700 -0.266 0.000 2.383 430 N HA 0.019 4.759 4.740 0.001 0.000 0.192 430 N C 0.894 176.202 175.510 -0.338 0.000 1.141 430 N CA 0.151 53.009 53.050 -0.319 0.000 0.851 430 N CB -0.241 38.132 38.487 -0.191 0.000 0.976 430 N HN 0.620 nan 8.380 nan 0.000 0.465 431 Q N -0.453 119.160 119.800 -0.311 0.000 2.140 431 Q HA 0.273 4.613 4.340 0.001 0.000 0.227 431 Q C -0.354 175.496 176.000 -0.249 0.000 0.798 431 Q CA -0.249 55.482 55.803 -0.120 0.000 0.987 431 Q CB 1.290 30.043 28.738 0.024 0.000 1.161 431 Q HN 0.216 nan 8.270 nan 0.000 0.480 432 R N 0.121 120.283 120.500 -0.563 0.000 2.393 432 R HA 0.406 4.746 4.340 0.001 0.000 0.310 432 R C -1.444 174.413 176.300 -0.738 0.000 0.968 432 R CA -0.150 55.699 56.100 -0.417 0.000 0.867 432 R CB 1.015 31.168 30.300 -0.245 0.000 1.124 432 R HN -0.058 nan 8.270 nan 0.000 0.450 433 W N 0.183 121.430 121.300 -0.090 0.000 2.936 433 W HA 0.401 5.062 4.660 0.001 0.000 0.338 433 W C -0.085 176.378 176.519 -0.093 0.000 1.121 433 W CA -0.731 56.550 57.345 -0.106 0.000 1.209 433 W CB 1.956 31.323 29.460 -0.155 0.000 1.420 433 W HN 0.279 nan 8.180 nan 0.000 0.516 434 T N 1.918 116.554 114.554 0.137 0.000 2.893 434 T HA 0.586 4.937 4.350 0.001 0.000 0.293 434 T C -0.874 173.861 174.700 0.059 0.000 1.027 434 T CA -0.987 61.150 62.100 0.063 0.000 0.988 434 T CB 0.750 69.631 68.868 0.022 0.000 1.043 434 T HN 0.491 nan 8.240 nan 0.000 0.461 435 R N 3.023 123.543 120.500 0.033 0.000 2.198 435 R HA 0.735 5.075 4.340 0.001 0.000 0.339 435 R C -0.685 175.635 176.300 0.035 0.000 1.020 435 R CA -0.742 55.377 56.100 0.031 0.000 0.864 435 R CB 0.846 31.154 30.300 0.013 0.000 1.105 435 R HN 0.581 nan 8.270 nan 0.000 0.463 436 T N 0.000 114.580 114.554 0.043 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.123 62.100 0.038 0.000 1.349 436 T CB 0.000 68.885 68.868 0.028 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658