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 2d24_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 -0.011 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 2 E N -1.192 119.000 120.200 -0.014 0.000 2.866 2 E HA 0.120 4.470 4.350 0.001 0.000 0.149 2 E C 0.244 176.830 176.600 -0.022 0.000 0.884 2 E CA 0.641 57.027 56.400 -0.024 0.000 1.393 2 E CB -0.328 29.358 29.700 -0.025 0.000 0.986 2 E HN 0.896 nan 8.360 nan 0.000 0.440 3 S N 0.098 115.793 115.700 -0.008 0.000 2.535 3 S HA 0.082 4.552 4.470 0.001 0.000 0.214 3 S C 0.937 175.562 174.600 0.041 0.000 0.980 3 S CA 0.535 58.744 58.200 0.015 0.000 0.907 3 S CB 0.095 63.304 63.200 0.015 0.000 0.790 3 S HN 0.367 nan 8.310 nan 0.000 0.510 4 T N -1.171 113.387 114.554 0.006 0.000 2.916 4 T HA 0.645 4.995 4.350 0.001 0.000 0.292 4 T C 0.918 175.566 174.700 -0.087 0.000 1.055 4 T CA -0.962 61.142 62.100 0.006 0.000 1.009 4 T CB 1.224 70.082 68.868 -0.016 0.000 1.118 4 T HN 0.020 nan 8.240 nan 0.000 0.497 5 L N 1.303 122.419 121.223 -0.179 0.000 2.017 5 L HA 0.076 4.417 4.340 0.001 0.000 0.208 5 L C 2.991 179.805 176.870 -0.094 0.000 1.073 5 L CA 1.852 56.487 54.840 -0.341 0.000 0.745 5 L CB -1.119 40.556 42.059 -0.639 0.000 0.894 5 L HN 0.981 nan 8.230 nan 0.000 0.432 6 G N -0.288 108.520 108.800 0.012 0.000 2.459 6 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 6 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 6 G C 1.784 176.733 174.900 0.082 0.000 1.183 6 G CA 0.904 46.085 45.100 0.136 0.000 0.776 6 G HN 0.467 nan 8.290 nan 0.000 0.552 7 A N 1.143 123.979 122.820 0.026 0.000 1.902 7 A HA 0.232 4.553 4.320 0.001 0.000 0.217 7 A C 2.829 180.419 177.584 0.009 0.000 1.181 7 A CA 2.390 54.437 52.037 0.016 0.000 0.623 7 A CB -0.832 18.167 19.000 -0.002 0.000 0.818 7 A HN 0.847 nan 8.150 nan 0.000 0.443 8 A N -0.171 122.639 122.820 -0.018 0.000 1.902 8 A HA 0.147 4.467 4.320 0.001 0.000 0.217 8 A C 2.506 180.090 177.584 0.001 0.000 1.181 8 A CA 2.148 54.166 52.037 -0.031 0.000 0.623 8 A CB -1.008 17.939 19.000 -0.089 0.000 0.818 8 A HN 1.077 nan 8.150 nan 0.000 0.443 9 A N -0.189 122.656 122.820 0.041 0.000 1.930 9 A HA 0.195 4.515 4.320 0.001 0.000 0.217 9 A C 2.451 180.074 177.584 0.066 0.000 1.175 9 A CA 1.880 53.968 52.037 0.085 0.000 0.627 9 A CB -0.962 18.154 19.000 0.193 0.000 0.815 9 A HN 1.114 nan 8.150 nan 0.000 0.443 10 A N -0.574 122.289 122.820 0.072 0.000 2.076 10 A HA -0.216 4.105 4.320 0.001 0.000 0.220 10 A C 2.000 179.605 177.584 0.036 0.000 1.160 10 A CA 1.575 53.648 52.037 0.061 0.000 0.653 10 A CB -0.552 18.482 19.000 0.058 0.000 0.801 10 A HN 0.687 nan 8.150 nan 0.000 0.455 11 Q N -0.029 119.785 119.800 0.023 0.000 2.226 11 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 11 Q C 1.673 177.680 176.000 0.011 0.000 0.975 11 Q CA 1.555 57.365 55.803 0.012 0.000 0.866 11 Q CB -0.157 28.583 28.738 0.003 0.000 0.915 11 Q HN 0.805 nan 8.270 nan 0.000 0.440 12 S N -1.995 113.713 115.700 0.014 0.000 2.602 12 S HA 0.395 4.865 4.470 0.001 0.000 0.240 12 S C 1.040 175.648 174.600 0.012 0.000 0.992 12 S CA 0.040 58.245 58.200 0.008 0.000 0.971 12 S CB 0.955 64.156 63.200 0.002 0.000 0.855 12 S HN 0.440 nan 8.310 nan 0.000 0.481 13 G N 1.414 110.228 108.800 0.024 0.000 2.148 13 G HA2 -0.265 3.695 3.960 0.001 0.000 0.254 13 G HA3 -0.265 3.695 3.960 0.001 0.000 0.254 13 G C 0.152 175.077 174.900 0.042 0.000 0.981 13 G CA 0.185 45.306 45.100 0.034 0.000 0.670 13 G HN 0.617 nan 8.290 nan 0.000 0.528 14 R N -1.100 119.417 120.500 0.028 0.000 2.843 14 R HA 0.745 5.085 4.340 0.001 0.000 0.232 14 R C 0.074 176.421 176.300 0.077 0.000 1.305 14 R CA -0.492 55.598 56.100 -0.017 0.000 1.096 14 R CB 0.720 30.966 30.300 -0.089 0.000 1.455 14 R HN 0.506 nan 8.270 nan 0.000 0.520 15 Y N -1.735 118.623 120.300 0.095 0.000 2.605 15 Y HA 0.678 5.228 4.550 0.001 0.000 0.343 15 Y C -1.352 174.658 175.900 0.183 0.000 1.036 15 Y CA -1.830 56.344 58.100 0.124 0.000 1.065 15 Y CB 1.161 39.669 38.460 0.080 0.000 1.288 15 Y HN 0.426 nan 8.280 nan 0.000 0.481 16 F N 1.448 121.649 119.950 0.419 0.000 2.612 16 F HA 0.775 5.303 4.527 0.001 0.000 0.332 16 F C -0.050 176.080 175.800 0.550 0.000 1.167 16 F CA -0.686 57.555 58.000 0.401 0.000 0.970 16 F CB 1.491 40.643 39.000 0.254 0.000 1.234 16 F HN 0.963 nan 8.300 nan 0.000 0.453 17 G N 1.997 111.003 108.800 0.343 0.000 2.932 17 G HA2 0.637 4.598 3.960 0.001 0.000 0.283 17 G HA3 0.637 4.598 3.960 0.001 0.000 0.283 17 G C -1.308 173.500 174.900 -0.154 0.000 1.336 17 G CA -0.678 44.554 45.100 0.219 0.000 1.056 17 G HN 0.615 nan 8.290 nan 0.000 0.522 18 T N -2.062 112.227 114.554 -0.441 0.000 2.787 18 T HA 0.634 4.985 4.350 0.001 0.000 0.297 18 T C -1.036 173.417 174.700 -0.410 0.000 1.221 18 T CA 0.171 61.889 62.100 -0.636 0.000 1.006 18 T CB 1.372 69.406 68.868 -1.391 0.000 1.328 18 T HN 1.247 nan 8.240 nan 0.000 0.509 19 A N 2.661 125.190 122.820 -0.485 0.000 2.274 19 A HA 0.714 5.035 4.320 0.001 0.000 0.309 19 A C -0.458 176.861 177.584 -0.442 0.000 1.226 19 A CA -0.590 51.054 52.037 -0.656 0.000 0.853 19 A CB 0.089 18.195 19.000 -1.491 0.000 1.146 19 A HN 0.658 nan 8.150 nan 0.000 0.518 20 I N 1.958 122.347 120.570 -0.302 0.000 2.377 20 I HA 0.481 4.651 4.170 0.001 0.000 0.293 20 I C 0.545 176.570 176.117 -0.153 0.000 0.987 20 I CA -0.245 60.960 61.300 -0.159 0.000 1.185 20 I CB 1.393 39.304 38.000 -0.149 0.000 1.341 20 I HN 0.707 nan 8.210 nan 0.000 0.455 21 A N 4.200 126.947 122.820 -0.122 0.000 2.260 21 A HA 0.443 4.764 4.320 0.001 0.000 0.314 21 A C 1.085 178.547 177.584 -0.203 0.000 1.257 21 A CA -0.241 51.691 52.037 -0.175 0.000 0.871 21 A CB 0.689 19.560 19.000 -0.215 0.000 1.166 21 A HN 0.847 nan 8.150 nan 0.000 0.522 22 S N 2.688 118.309 115.700 -0.131 0.000 2.387 22 S HA -0.154 4.317 4.470 0.001 0.000 0.230 22 S C 1.781 176.290 174.600 -0.152 0.000 1.035 22 S CA 1.728 59.858 58.200 -0.116 0.000 1.014 22 S CB -0.700 62.478 63.200 -0.037 0.000 0.836 22 S HN 1.231 nan 8.310 nan 0.000 0.466 23 G N 1.284 109.990 108.800 -0.156 0.000 2.509 23 G HA2 -0.040 3.920 3.960 0.001 0.000 0.218 23 G HA3 -0.040 3.920 3.960 0.001 0.000 0.218 23 G C 1.435 176.187 174.900 -0.248 0.000 1.124 23 G CA 0.439 45.442 45.100 -0.161 0.000 0.776 23 G HN 0.619 nan 8.290 nan 0.000 0.547 24 K N -0.360 119.795 120.400 -0.408 0.000 2.361 24 K HA 0.331 4.651 4.320 0.001 0.000 0.194 24 K C 1.920 178.210 176.600 -0.518 0.000 1.032 24 K CA -0.327 55.565 56.287 -0.659 0.000 1.048 24 K CB 0.165 31.812 32.500 -1.422 0.000 0.842 24 K HN 0.214 nan 8.250 nan 0.000 0.526 25 L N 0.471 121.487 121.223 -0.345 0.000 2.450 25 L HA -0.085 4.255 4.340 0.001 0.000 0.224 25 L C 1.852 178.638 176.870 -0.140 0.000 1.149 25 L CA 0.906 55.585 54.840 -0.268 0.000 0.816 25 L CB -0.263 41.587 42.059 -0.348 0.000 0.932 25 L HN 0.287 nan 8.230 nan 0.000 0.449 26 G N -1.770 106.958 108.800 -0.121 0.000 3.141 26 G HA2 -0.093 3.867 3.960 0.001 0.000 0.218 26 G HA3 -0.093 3.867 3.960 0.001 0.000 0.218 26 G C 0.152 175.027 174.900 -0.042 0.000 1.170 26 G CA -0.214 44.851 45.100 -0.058 0.000 0.769 26 G HN 0.130 nan 8.290 nan 0.000 0.546 27 D N 0.563 120.931 120.400 -0.053 0.000 2.359 27 D HA 0.235 4.876 4.640 0.001 0.000 0.230 27 D C 1.349 177.681 176.300 0.053 0.000 1.118 27 D CA -0.191 53.801 54.000 -0.014 0.000 0.844 27 D CB 1.583 42.350 40.800 -0.055 0.000 1.059 27 D HN -0.029 nan 8.370 nan 0.000 0.493 28 S N 3.298 119.022 115.700 0.040 0.000 2.359 28 S HA -0.224 4.247 4.470 0.001 0.000 0.224 28 S C 1.943 176.575 174.600 0.052 0.000 1.035 28 S CA 1.745 59.974 58.200 0.049 0.000 1.018 28 S CB -0.042 63.177 63.200 0.032 0.000 0.876 28 S HN 0.618 nan 8.310 nan 0.000 0.448 29 A N -0.041 122.807 122.820 0.047 0.000 1.902 29 A HA -0.072 4.248 4.320 0.001 0.000 0.217 29 A C 2.040 179.648 177.584 0.040 0.000 1.181 29 A CA 1.782 53.838 52.037 0.032 0.000 0.623 29 A CB -1.242 17.777 19.000 0.032 0.000 0.818 29 A HN 0.770 nan 8.150 nan 0.000 0.443 30 Y N 1.682 121.943 120.300 -0.065 0.000 2.114 30 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 30 Y C 2.982 178.835 175.900 -0.078 0.000 1.143 30 Y CA 2.877 60.924 58.100 -0.089 0.000 1.135 30 Y CB -0.678 37.716 38.460 -0.109 0.000 0.980 30 Y HN 0.445 nan 8.280 nan 0.000 0.499 31 T N -3.553 111.064 114.554 0.105 0.000 2.833 31 T HA -0.159 4.191 4.350 0.001 0.000 0.269 31 T C 1.790 176.551 174.700 0.102 0.000 1.054 31 T CA 1.740 63.890 62.100 0.083 0.000 1.135 31 T CB -1.045 67.925 68.868 0.170 0.000 0.869 31 T HN 0.358 nan 8.240 nan 0.000 0.466 32 T N 2.109 116.685 114.554 0.037 0.000 2.708 32 T HA 0.093 4.444 4.350 0.001 0.000 0.266 32 T C 1.886 176.551 174.700 -0.059 0.000 1.037 32 T CA 1.418 63.523 62.100 0.008 0.000 1.146 32 T CB -0.409 68.452 68.868 -0.012 0.000 0.865 32 T HN 0.426 nan 8.240 nan 0.000 0.435 33 I N 1.155 121.628 120.570 -0.162 0.000 2.202 33 I HA -0.123 4.047 4.170 0.001 0.000 0.242 33 I C 2.949 178.946 176.117 -0.200 0.000 1.091 33 I CA 1.041 62.150 61.300 -0.318 0.000 1.368 33 I CB -0.524 37.112 38.000 -0.605 0.000 1.058 33 I HN 0.176 nan 8.210 nan 0.000 0.410 34 A N 1.048 123.800 122.820 -0.112 0.000 1.883 34 A HA -0.245 4.075 4.320 0.001 0.000 0.217 34 A C 2.522 180.329 177.584 0.372 0.000 1.186 34 A CA 2.459 54.607 52.037 0.186 0.000 0.624 34 A CB -0.951 17.995 19.000 -0.091 0.000 0.822 34 A HN 0.537 nan 8.150 nan 0.000 0.444 35 S N -0.406 115.488 115.700 0.323 0.000 2.383 35 S HA -0.188 4.283 4.470 0.001 0.000 0.227 35 S C 2.055 176.670 174.600 0.025 0.000 1.026 35 S CA 1.263 59.554 58.200 0.152 0.000 0.981 35 S CB -0.427 62.842 63.200 0.115 0.000 0.818 35 S HN 0.641 nan 8.310 nan 0.000 0.472 36 R N 1.059 121.557 120.500 -0.003 0.000 2.073 36 R HA 0.019 4.359 4.340 0.001 0.000 0.229 36 R C 1.849 178.093 176.300 -0.093 0.000 1.120 36 R CA 1.386 57.455 56.100 -0.051 0.000 0.967 36 R CB -0.074 30.188 30.300 -0.063 0.000 0.862 36 R HN 0.397 nan 8.270 nan 0.000 0.436 37 E N -0.431 119.643 120.200 -0.210 0.000 2.250 37 E HA 0.023 4.374 4.350 0.001 0.000 0.192 37 E C -0.183 176.102 176.600 -0.525 0.000 0.986 37 E CA 0.486 56.624 56.400 -0.437 0.000 0.849 37 E CB 0.263 29.514 29.700 -0.747 0.000 0.797 37 E HN 0.143 nan 8.360 nan 0.000 0.482 38 F N 1.617 121.653 119.950 0.143 0.000 2.492 38 F HA 0.250 4.777 4.527 0.001 0.000 0.327 38 F C 0.948 176.811 175.800 0.104 0.000 1.079 38 F CA -1.143 56.966 58.000 0.182 0.000 0.967 38 F CB 0.897 40.010 39.000 0.189 0.000 1.169 38 F HN -0.176 nan 8.300 nan 0.000 0.472 39 N N 0.827 119.712 118.700 0.307 0.000 2.238 39 N HA 0.339 5.079 4.740 0.001 0.000 0.235 39 N C -0.747 174.807 175.510 0.074 0.000 1.209 39 N CA -0.115 53.023 53.050 0.147 0.000 0.879 39 N CB 0.756 39.318 38.487 0.124 0.000 1.136 39 N HN 0.575 nan 8.380 nan 0.000 0.517 40 M N 0.381 120.030 119.600 0.082 0.000 2.371 40 M HA 0.565 5.046 4.480 0.001 0.000 0.287 40 M C -2.213 174.045 176.300 -0.069 0.000 1.149 40 M CA -0.801 54.422 55.300 -0.128 0.000 0.929 40 M CB 2.363 34.702 32.600 -0.435 0.000 1.683 40 M HN -0.157 nan 8.290 nan 0.000 0.470 41 V N 2.913 122.760 119.914 -0.113 0.000 2.789 41 V HA 0.818 4.939 4.120 0.001 0.000 0.311 41 V C -0.753 175.269 176.094 -0.120 0.000 1.073 41 V CA -0.517 61.737 62.300 -0.076 0.000 0.921 41 V CB 2.588 34.430 31.823 0.032 0.000 1.009 41 V HN 0.896 nan 8.190 nan 0.000 0.426 42 T N 3.198 117.676 114.554 -0.127 0.000 2.848 42 T HA 0.659 5.010 4.350 0.001 0.000 0.285 42 T C -0.077 174.549 174.700 -0.123 0.000 0.995 42 T CA -0.293 61.743 62.100 -0.107 0.000 0.970 42 T CB 1.688 70.537 68.868 -0.032 0.000 0.976 42 T HN 0.960 nan 8.240 nan 0.000 0.441 43 A N 1.920 124.708 122.820 -0.053 0.000 2.454 43 A HA 0.296 4.617 4.320 0.001 0.000 0.260 43 A C 1.343 178.915 177.584 -0.021 0.000 1.106 43 A CA -0.336 51.682 52.037 -0.031 0.000 0.780 43 A CB 0.039 19.064 19.000 0.041 0.000 1.044 43 A HN 1.060 nan 8.150 nan 0.000 0.498 44 E N 1.932 122.043 120.200 -0.147 0.000 2.153 44 E HA -0.169 4.182 4.350 0.001 0.000 0.194 44 E C 0.655 177.341 176.600 0.143 0.000 0.988 44 E CA 1.702 57.997 56.400 -0.175 0.000 0.811 44 E CB 0.089 29.590 29.700 -0.332 0.000 0.746 44 E HN 0.805 nan 8.360 nan 0.000 0.466 45 N N -1.263 117.507 118.700 0.118 0.000 1.983 45 N HA -0.024 4.717 4.740 0.001 0.000 0.234 45 N C 0.745 176.348 175.510 0.156 0.000 1.339 45 N CA 0.171 53.321 53.050 0.167 0.000 0.826 45 N CB 0.314 38.874 38.487 0.122 0.000 1.156 45 N HN -0.029 nan 8.380 nan 0.000 0.468 46 E N 0.872 121.149 120.200 0.128 0.000 2.331 46 E HA 0.038 4.389 4.350 0.001 0.000 0.199 46 E C 1.091 177.823 176.600 0.220 0.000 1.008 46 E CA 1.017 57.507 56.400 0.151 0.000 0.843 46 E CB -0.049 29.730 29.700 0.131 0.000 0.761 46 E HN 0.369 nan 8.360 nan 0.000 0.507 47 M N -0.225 119.515 119.600 0.233 0.000 2.484 47 M HA 0.163 4.644 4.480 0.001 0.000 0.307 47 M C -0.060 176.435 176.300 0.326 0.000 1.149 47 M CA -0.101 55.391 55.300 0.320 0.000 0.972 47 M CB 0.627 33.393 32.600 0.276 0.000 1.400 47 M HN -0.164 nan 8.290 nan 0.000 0.508 48 K N 0.464 121.018 120.400 0.257 0.000 2.118 48 K HA 0.326 4.647 4.320 0.001 0.000 0.240 48 K C 1.114 177.887 176.600 0.289 0.000 1.035 48 K CA -0.336 56.105 56.287 0.256 0.000 0.899 48 K CB 1.306 33.971 32.500 0.275 0.000 1.085 48 K HN 0.060 nan 8.250 nan 0.000 0.498 49 I N 1.250 121.964 120.570 0.239 0.000 2.127 49 I HA -0.325 3.845 4.170 0.001 0.000 0.241 49 I C 2.015 178.134 176.117 0.003 0.000 1.075 49 I CA 1.517 62.819 61.300 0.004 0.000 1.334 49 I CB -0.511 37.322 38.000 -0.280 0.000 1.040 49 I HN 0.745 nan 8.210 nan 0.000 0.405 50 D N 1.757 122.139 120.400 -0.029 0.000 2.178 50 D HA -0.162 4.479 4.640 0.001 0.000 0.201 50 D C 1.970 178.294 176.300 0.041 0.000 0.980 50 D CA 1.507 55.487 54.000 -0.034 0.000 0.842 50 D CB -0.259 40.496 40.800 -0.075 0.000 0.948 50 D HN 0.366 nan 8.370 nan 0.000 0.472 51 A N 0.571 123.443 122.820 0.087 0.000 1.930 51 A HA -0.034 4.286 4.320 0.001 0.000 0.215 51 A C 2.339 179.976 177.584 0.088 0.000 1.176 51 A CA 2.001 54.094 52.037 0.093 0.000 0.632 51 A CB -0.736 18.340 19.000 0.127 0.000 0.819 51 A HN 0.445 nan 8.150 nan 0.000 0.445 52 T N -3.296 111.351 114.554 0.155 0.000 3.051 52 T HA 0.164 4.514 4.350 0.001 0.000 0.255 52 T C 0.645 175.366 174.700 0.036 0.000 1.085 52 T CA 0.882 63.036 62.100 0.090 0.000 1.109 52 T CB 0.077 69.137 68.868 0.320 0.000 0.921 52 T HN 0.444 nan 8.240 nan 0.000 0.488 53 E N 1.944 122.217 120.200 0.123 0.000 3.626 53 E HA 0.236 4.587 4.350 0.001 0.000 0.245 53 E C -2.066 174.631 176.600 0.160 0.000 1.236 53 E CA -2.022 54.361 56.400 -0.027 0.000 1.072 53 E CB 1.339 31.080 29.700 0.069 0.000 1.309 53 E HN 0.100 nan 8.360 nan 0.000 0.400 54 P HA -0.156 nan 4.420 nan 0.000 0.219 54 P C -0.211 177.216 177.300 0.212 0.000 1.146 54 P CA 1.010 64.192 63.100 0.136 0.000 0.808 54 P CB 0.385 32.098 31.700 0.023 0.000 0.779 55 Q N -1.231 118.523 119.800 -0.077 0.000 2.347 55 Q HA 0.384 4.724 4.340 0.001 0.000 0.271 55 Q C -0.356 175.091 176.000 -0.921 0.000 1.064 55 Q CA -0.715 54.803 55.803 -0.475 0.000 0.800 55 Q CB 1.875 30.424 28.738 -0.315 0.000 1.304 55 Q HN -0.097 nan 8.270 nan 0.000 0.438 56 R N 0.892 120.341 120.500 -1.751 0.000 2.483 56 R HA 0.228 4.568 4.340 0.001 0.000 0.329 56 R C 0.525 176.365 176.300 -0.765 0.000 0.961 56 R CA 1.694 56.820 56.100 -1.623 0.000 1.041 56 R CB -0.598 28.748 30.300 -1.590 0.000 0.930 56 R HN 0.931 nan 8.270 nan 0.000 0.413 57 G N 3.040 111.463 108.800 -0.627 0.000 2.195 57 G HA2 -0.219 3.742 3.960 0.001 0.000 0.246 57 G HA3 -0.219 3.742 3.960 0.001 0.000 0.246 57 G C -0.281 174.412 174.900 -0.345 0.000 0.984 57 G CA -0.181 44.705 45.100 -0.358 0.000 0.633 57 G HN 0.569 nan 8.290 nan 0.000 0.525 58 Q N 0.416 119.924 119.800 -0.488 0.000 2.431 58 Q HA 0.605 4.945 4.340 0.001 0.000 0.249 58 Q C -0.616 175.130 176.000 -0.424 0.000 1.025 58 Q CA -0.291 55.322 55.803 -0.316 0.000 0.835 58 Q CB 0.609 29.200 28.738 -0.244 0.000 1.207 58 Q HN 0.332 nan 8.270 nan 0.000 0.490 59 F N 1.825 121.674 119.950 -0.168 0.000 2.379 59 F HA 0.316 4.844 4.527 0.001 0.000 0.332 59 F C 0.850 176.364 175.800 -0.476 0.000 1.096 59 F CA -0.671 57.110 58.000 -0.366 0.000 1.105 59 F CB 1.058 39.814 39.000 -0.407 0.000 1.189 59 F HN 0.344 nan 8.300 nan 0.000 0.515 60 N N 1.980 120.385 118.700 -0.491 0.000 2.519 60 N HA 0.327 5.068 4.740 0.001 0.000 0.286 60 N C -1.115 174.103 175.510 -0.486 0.000 1.079 60 N CA -0.448 52.388 53.050 -0.357 0.000 0.878 60 N CB 0.442 38.839 38.487 -0.151 0.000 1.375 60 N HN 0.355 nan 8.380 nan 0.000 0.514 61 F N 1.519 121.450 119.950 -0.031 0.000 2.654 61 F HA 0.343 4.870 4.527 0.001 0.000 0.303 61 F C 2.088 177.935 175.800 0.077 0.000 1.099 61 F CA -0.350 57.633 58.000 -0.030 0.000 1.270 61 F CB 0.072 38.814 39.000 -0.431 0.000 1.024 61 F HN 0.519 nan 8.300 nan 0.000 0.548 62 S N 1.162 116.970 115.700 0.180 0.000 2.359 62 S HA -0.272 4.199 4.470 0.001 0.000 0.222 62 S C 2.471 177.181 174.600 0.182 0.000 1.038 62 S CA 1.945 60.243 58.200 0.163 0.000 1.051 62 S CB -0.317 62.942 63.200 0.098 0.000 0.944 62 S HN 0.368 nan 8.310 nan 0.000 0.433 63 A N 0.637 123.553 122.820 0.159 0.000 1.898 63 A HA 0.186 4.507 4.320 0.001 0.000 0.216 63 A C 2.394 180.102 177.584 0.208 0.000 1.181 63 A CA 1.744 53.870 52.037 0.148 0.000 0.620 63 A CB -1.635 17.430 19.000 0.108 0.000 0.819 63 A HN 0.661 nan 8.150 nan 0.000 0.442 64 G N -0.104 108.872 108.800 0.293 0.000 2.421 64 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 64 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 64 G C 1.097 176.260 174.900 0.439 0.000 1.171 64 G CA 1.251 46.578 45.100 0.378 0.000 0.775 64 G HN 0.445 nan 8.290 nan 0.000 0.543 65 D N -0.231 120.460 120.400 0.486 0.000 2.178 65 D HA -0.054 4.587 4.640 0.001 0.000 0.202 65 D C 2.355 178.883 176.300 0.379 0.000 0.974 65 D CA 0.493 54.781 54.000 0.481 0.000 0.841 65 D CB -0.182 40.854 40.800 0.394 0.000 0.953 65 D HN 0.345 nan 8.370 nan 0.000 0.478 66 R N 0.564 121.231 120.500 0.280 0.000 2.081 66 R HA -0.093 4.248 4.340 0.001 0.000 0.235 66 R C 1.939 178.378 176.300 0.232 0.000 1.131 66 R CA 0.983 57.214 56.100 0.218 0.000 0.960 66 R CB -0.156 30.232 30.300 0.147 0.000 0.856 66 R HN 0.016 nan 8.270 nan 0.000 0.436 67 V N 0.360 120.401 119.914 0.212 0.000 2.358 67 V HA -0.235 3.886 4.120 0.001 0.000 0.246 67 V C 2.004 178.245 176.094 0.246 0.000 1.047 67 V CA 1.802 64.216 62.300 0.190 0.000 1.035 67 V CB -0.766 31.124 31.823 0.112 0.000 0.658 67 V HN 0.404 nan 8.190 nan 0.000 0.452 68 Y N 1.970 122.358 120.300 0.146 0.000 2.097 68 Y HA -0.256 4.294 4.550 0.001 0.000 0.282 68 Y C 2.556 178.531 175.900 0.125 0.000 1.152 68 Y CA 2.153 60.313 58.100 0.100 0.000 1.136 68 Y CB -0.413 38.121 38.460 0.124 0.000 0.975 68 Y HN 0.266 nan 8.280 nan 0.000 0.498 69 N N -0.442 118.351 118.700 0.155 0.000 2.166 69 N HA -0.238 4.503 4.740 0.001 0.000 0.186 69 N C 1.609 177.117 175.510 -0.004 0.000 1.019 69 N CA 1.609 54.685 53.050 0.044 0.000 0.856 69 N CB -1.083 37.520 38.487 0.195 0.000 0.993 69 N HN 0.655 nan 8.380 nan 0.000 0.426 70 W N 2.112 123.380 121.300 -0.054 0.000 2.358 70 W HA -0.064 4.596 4.660 0.001 0.000 0.303 70 W C 2.365 178.824 176.519 -0.099 0.000 1.208 70 W CA 2.110 59.426 57.345 -0.048 0.000 1.274 70 W CB -0.351 29.105 29.460 -0.006 0.000 1.138 70 W HN 0.070 nan 8.180 nan 0.000 0.515 71 A N -0.007 122.823 122.820 0.016 0.000 1.851 71 A HA -0.223 4.098 4.320 0.001 0.000 0.216 71 A C 2.026 179.381 177.584 -0.381 0.000 1.195 71 A CA 2.737 54.657 52.037 -0.194 0.000 0.622 71 A CB -1.351 17.596 19.000 -0.088 0.000 0.831 71 A HN 0.180 nan 8.150 nan 0.000 0.444 72 V N 0.103 119.756 119.914 -0.435 0.000 2.343 72 V HA -0.260 3.860 4.120 0.001 0.000 0.247 72 V C 2.675 178.592 176.094 -0.294 0.000 1.051 72 V CA 2.020 64.094 62.300 -0.377 0.000 1.036 72 V CB -0.827 30.723 31.823 -0.455 0.000 0.654 72 V HN 0.535 nan 8.190 nan 0.000 0.451 73 Q N 0.053 119.673 119.800 -0.300 0.000 2.226 73 Q HA -0.096 4.244 4.340 0.001 0.000 0.204 73 Q C 1.575 177.380 176.000 -0.325 0.000 0.975 73 Q CA 1.015 56.665 55.803 -0.256 0.000 0.866 73 Q CB -0.393 28.218 28.738 -0.211 0.000 0.915 73 Q HN 0.654 nan 8.270 nan 0.000 0.440 74 N N -0.655 117.748 118.700 -0.495 0.000 2.251 74 N HA 0.110 4.851 4.740 0.001 0.000 0.217 74 N C 0.208 175.513 175.510 -0.343 0.000 1.124 74 N CA 0.645 53.389 53.050 -0.509 0.000 0.843 74 N CB 1.176 39.103 38.487 -0.934 0.000 1.024 74 N HN 0.275 nan 8.380 nan 0.000 0.501 75 G N 1.343 109.986 108.800 -0.262 0.000 2.182 75 G HA2 -0.275 3.685 3.960 0.001 0.000 0.248 75 G HA3 -0.275 3.685 3.960 0.001 0.000 0.248 75 G C -0.291 174.523 174.900 -0.143 0.000 1.042 75 G CA 0.163 45.161 45.100 -0.170 0.000 0.775 75 G HN 0.260 nan 8.290 nan 0.000 0.501 76 K N -0.059 120.231 120.400 -0.184 0.000 2.316 76 K HA 0.625 4.946 4.320 0.001 0.000 0.251 76 K C 0.510 177.018 176.600 -0.153 0.000 0.934 76 K CA -0.676 55.534 56.287 -0.129 0.000 0.802 76 K CB 1.771 34.211 32.500 -0.100 0.000 1.171 76 K HN 0.331 nan 8.250 nan 0.000 0.426 77 Q N 0.437 120.154 119.800 -0.138 0.000 2.308 77 Q HA 0.520 4.861 4.340 0.001 0.000 0.207 77 Q C -0.630 175.262 176.000 -0.181 0.000 1.035 77 Q CA -0.852 54.860 55.803 -0.152 0.000 1.008 77 Q CB 1.190 29.835 28.738 -0.154 0.000 1.168 77 Q HN 0.240 nan 8.270 nan 0.000 0.565 78 V N 0.788 120.598 119.914 -0.173 0.000 2.709 78 V HA 0.416 4.536 4.120 0.001 0.000 0.308 78 V C -0.765 175.163 176.094 -0.278 0.000 1.062 78 V CA -0.809 61.376 62.300 -0.192 0.000 0.901 78 V CB 1.990 33.750 31.823 -0.105 0.000 1.003 78 V HN 0.634 nan 8.190 nan 0.000 0.425 79 R N 2.162 122.488 120.500 -0.291 0.000 2.338 79 R HA 0.604 4.944 4.340 0.001 0.000 0.317 79 R C 0.263 176.305 176.300 -0.430 0.000 0.968 79 R CA -0.488 55.421 56.100 -0.320 0.000 0.849 79 R CB 1.899 32.081 30.300 -0.196 0.000 1.128 79 R HN 0.907 nan 8.270 nan 0.000 0.448 80 G N 1.528 109.854 108.800 -0.790 0.000 2.339 80 G HA2 0.203 4.164 3.960 0.001 0.000 0.287 80 G HA3 0.203 4.164 3.960 0.001 0.000 0.287 80 G C -1.009 173.774 174.900 -0.195 0.000 1.163 80 G CA -0.028 44.379 45.100 -1.155 0.000 0.872 80 G HN 0.636 nan 8.290 nan 0.000 0.464 81 H N 0.273 119.304 119.070 -0.066 0.000 3.018 81 H HA 0.616 5.173 4.556 0.001 0.000 0.334 81 H C -0.790 174.580 175.328 0.069 0.000 0.983 81 H CA -0.312 55.743 56.048 0.012 0.000 1.363 81 H CB 2.029 31.778 29.762 -0.022 0.000 1.668 81 H HN 0.620 nan 8.280 nan 0.000 0.513 82 T N 4.674 119.060 114.554 -0.280 0.000 2.894 82 T HA 0.266 4.617 4.350 0.001 0.000 0.309 82 T C 0.623 175.264 174.700 -0.099 0.000 1.208 82 T CA -0.670 61.225 62.100 -0.343 0.000 1.016 82 T CB 1.090 69.283 68.868 -1.125 0.000 1.192 82 T HN 0.561 nan 8.240 nan 0.000 0.491 83 L N 2.042 123.256 121.223 -0.014 0.000 2.127 83 L HA 0.491 4.831 4.340 0.001 0.000 0.203 83 L C 1.241 178.226 176.870 0.190 0.000 1.080 83 L CA 0.515 55.397 54.840 0.069 0.000 0.768 83 L CB -0.172 41.804 42.059 -0.138 0.000 0.924 83 L HN 0.696 nan 8.230 nan 0.000 0.444 84 A N -0.147 122.765 122.820 0.153 0.000 2.385 84 A HA 0.588 4.908 4.320 0.001 0.000 0.290 84 A C -1.617 176.275 177.584 0.513 0.000 1.094 84 A CA -0.429 51.801 52.037 0.322 0.000 0.729 84 A CB 0.791 20.003 19.000 0.353 0.000 1.194 84 A HN 0.272 nan 8.150 nan 0.000 0.442 85 W N 2.880 124.236 121.300 0.092 0.000 2.982 85 W HA 0.323 4.983 4.660 0.001 0.000 0.344 85 W C -0.037 176.463 176.519 -0.031 0.000 1.215 85 W CA -0.269 57.146 57.345 0.117 0.000 1.182 85 W CB -0.123 29.344 29.460 0.011 0.000 1.437 85 W HN 0.832 nan 8.180 nan 0.000 0.570 86 H N 0.002 119.007 119.070 -0.108 0.000 2.529 86 H HA 0.146 4.702 4.556 0.001 0.000 0.277 86 H C 0.065 175.038 175.328 -0.591 0.000 0.999 86 H CA 1.122 56.977 56.048 -0.322 0.000 1.256 86 H CB -0.153 29.510 29.762 -0.164 0.000 1.402 86 H HN 0.193 nan 8.280 nan 0.000 0.566 87 S N 0.227 114.854 115.700 -1.789 0.000 2.616 87 S HA 0.147 4.618 4.470 0.001 0.000 0.277 87 S C 0.143 173.850 174.600 -1.489 0.000 1.234 87 S CA -0.370 56.796 58.200 -1.723 0.000 1.028 87 S CB 0.661 62.712 63.200 -1.916 0.000 0.988 87 S HN 0.564 nan 8.310 nan 0.000 0.522 88 Q N 0.597 119.912 119.800 -0.807 0.000 2.457 88 Q HA -0.217 4.124 4.340 0.001 0.000 0.283 88 Q C -0.494 175.270 176.000 -0.393 0.000 1.234 88 Q CA 0.723 56.255 55.803 -0.452 0.000 0.877 88 Q CB -1.257 27.332 28.738 -0.248 0.000 1.250 88 Q HN 0.683 nan 8.270 nan 0.000 0.481 89 Q N 1.074 120.592 119.800 -0.470 0.000 2.340 89 Q HA 0.293 4.633 4.340 0.001 0.000 0.249 89 Q C -1.931 173.820 176.000 -0.414 0.000 0.957 89 Q CA -1.617 53.913 55.803 -0.455 0.000 0.882 89 Q CB 0.618 29.061 28.738 -0.490 0.000 1.235 89 Q HN 0.129 nan 8.270 nan 0.000 0.439 90 P HA -0.052 nan 4.420 nan 0.000 0.272 90 P C 0.346 177.361 177.300 -0.475 0.000 1.230 90 P CA 0.066 62.912 63.100 -0.424 0.000 0.788 90 P CB 0.653 32.088 31.700 -0.440 0.000 0.949 91 G N 2.006 110.667 108.800 -0.233 0.000 2.505 91 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 91 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 91 G C 1.396 176.218 174.900 -0.131 0.000 1.145 91 G CA 0.587 45.597 45.100 -0.150 0.000 0.761 91 G HN 0.766 nan 8.290 nan 0.000 0.571 92 W N -0.100 121.146 121.300 -0.090 0.000 2.374 92 W HA 0.035 4.696 4.660 0.001 0.000 0.288 92 W C 2.096 178.560 176.519 -0.092 0.000 1.218 92 W CA 1.045 58.338 57.345 -0.086 0.000 1.245 92 W CB -0.814 28.593 29.460 -0.089 0.000 1.126 92 W HN 0.286 nan 8.180 nan 0.000 0.545 93 M N 1.387 120.440 119.600 -0.912 0.000 2.288 93 M HA -0.136 4.344 4.480 0.001 0.000 0.266 93 M C 2.455 178.511 176.300 -0.406 0.000 1.072 93 M CA 1.547 56.355 55.300 -0.820 0.000 1.132 93 M CB -0.258 31.571 32.600 -1.286 0.000 1.386 93 M HN -0.013 nan 8.290 nan 0.000 0.432 94 Q N -0.100 119.478 119.800 -0.371 0.000 2.181 94 Q HA -0.160 4.180 4.340 0.001 0.000 0.205 94 Q C 1.795 177.701 176.000 -0.155 0.000 0.980 94 Q CA 1.988 57.643 55.803 -0.246 0.000 0.862 94 Q CB -0.177 28.431 28.738 -0.217 0.000 0.905 94 Q HN 0.659 nan 8.270 nan 0.000 0.429 95 S N -0.654 114.980 115.700 -0.110 0.000 2.593 95 S HA 0.153 4.624 4.470 0.001 0.000 0.217 95 S C 0.727 175.305 174.600 -0.036 0.000 0.966 95 S CA -0.244 57.922 58.200 -0.056 0.000 0.914 95 S CB 0.028 63.215 63.200 -0.021 0.000 0.776 95 S HN 0.107 nan 8.310 nan 0.000 0.523 96 L N 1.736 122.933 121.223 -0.044 0.000 2.421 96 L HA 0.565 4.905 4.340 0.001 0.000 0.263 96 L C 0.159 177.000 176.870 -0.048 0.000 1.122 96 L CA -0.399 54.432 54.840 -0.016 0.000 0.804 96 L CB 1.323 43.397 42.059 0.025 0.000 1.150 96 L HN 0.174 nan 8.230 nan 0.000 0.457 97 S N -0.762 114.920 115.700 -0.031 0.000 2.625 97 S HA 0.726 5.196 4.470 0.001 0.000 0.271 97 S C 0.020 174.604 174.600 -0.026 0.000 1.161 97 S CA -0.065 58.108 58.200 -0.045 0.000 0.820 97 S CB 1.572 64.747 63.200 -0.043 0.000 1.137 97 S HN 1.136 nan 8.310 nan 0.000 0.470 98 G N 2.198 110.979 108.800 -0.031 0.000 2.581 98 G HA2 -0.337 3.623 3.960 0.001 0.000 0.291 98 G HA3 -0.337 3.623 3.960 0.001 0.000 0.291 98 G C 1.146 176.047 174.900 0.003 0.000 1.277 98 G CA 1.190 46.282 45.100 -0.012 0.000 0.959 98 G HN 1.695 nan 8.290 nan 0.000 0.554 99 S N -1.613 114.095 115.700 0.014 0.000 2.400 99 S HA -0.149 4.321 4.470 0.001 0.000 0.232 99 S C 2.306 176.925 174.600 0.032 0.000 1.025 99 S CA 2.761 60.976 58.200 0.026 0.000 0.993 99 S CB -0.751 62.464 63.200 0.025 0.000 0.808 99 S HN 1.591 nan 8.310 nan 0.000 0.478 100 T N 1.266 115.837 114.554 0.028 0.000 2.821 100 T HA 0.030 4.381 4.350 0.001 0.000 0.267 100 T C 1.652 176.387 174.700 0.058 0.000 1.046 100 T CA 1.245 63.370 62.100 0.041 0.000 1.139 100 T CB -0.587 68.303 68.868 0.037 0.000 0.871 100 T HN 0.339 nan 8.240 nan 0.000 0.454 101 L N 1.348 122.592 121.223 0.036 0.000 2.056 101 L HA 0.178 4.519 4.340 0.001 0.000 0.207 101 L C 2.482 179.376 176.870 0.039 0.000 1.078 101 L CA 1.860 56.715 54.840 0.025 0.000 0.749 101 L CB -0.815 41.221 42.059 -0.038 0.000 0.901 101 L HN 0.121 nan 8.230 nan 0.000 0.433 102 R N -0.334 120.190 120.500 0.040 0.000 2.091 102 R HA -0.218 4.122 4.340 0.001 0.000 0.238 102 R C 2.344 178.698 176.300 0.090 0.000 1.136 102 R CA 1.924 58.065 56.100 0.069 0.000 0.959 102 R CB -0.702 29.640 30.300 0.070 0.000 0.856 102 R HN 0.535 nan 8.270 nan 0.000 0.437 103 Q N -0.307 119.542 119.800 0.082 0.000 2.119 103 Q HA 0.070 4.411 4.340 0.001 0.000 0.201 103 Q C 1.849 177.922 176.000 0.122 0.000 0.972 103 Q CA 2.068 57.924 55.803 0.088 0.000 0.847 103 Q CB -0.437 28.343 28.738 0.069 0.000 0.903 103 Q HN 0.399 nan 8.270 nan 0.000 0.433 104 A N 0.330 123.237 122.820 0.145 0.000 1.933 104 A HA -0.166 4.154 4.320 0.001 0.000 0.218 104 A C 2.142 179.870 177.584 0.240 0.000 1.175 104 A CA 1.597 53.770 52.037 0.226 0.000 0.628 104 A CB -0.692 18.499 19.000 0.318 0.000 0.814 104 A HN 0.595 nan 8.150 nan 0.000 0.444 105 M N -0.377 119.325 119.600 0.169 0.000 2.067 105 M HA -0.140 4.340 4.480 0.001 0.000 0.260 105 M C 1.984 178.403 176.300 0.199 0.000 1.069 105 M CA 1.982 57.388 55.300 0.175 0.000 1.117 105 M CB -0.335 32.353 32.600 0.147 0.000 1.334 105 M HN 0.426 nan 8.290 nan 0.000 0.407 106 I N 0.547 121.210 120.570 0.155 0.000 2.179 106 I HA -0.340 3.830 4.170 0.001 0.000 0.242 106 I C 1.879 178.074 176.117 0.130 0.000 1.088 106 I CA 1.414 62.785 61.300 0.119 0.000 1.357 106 I CB -0.770 37.286 38.000 0.092 0.000 1.051 106 I HN 0.333 nan 8.210 nan 0.000 0.409 107 D N -0.335 120.167 120.400 0.169 0.000 2.117 107 D HA -0.246 4.394 4.640 0.001 0.000 0.197 107 D C 1.993 178.474 176.300 0.301 0.000 0.987 107 D CA 1.551 55.671 54.000 0.201 0.000 0.829 107 D CB -0.445 40.480 40.800 0.209 0.000 0.961 107 D HN 0.444 nan 8.370 nan 0.000 0.460 108 H N 0.655 119.890 119.070 0.276 0.000 2.353 108 H HA -0.014 4.542 4.556 0.001 0.000 0.300 108 H C 2.189 177.636 175.328 0.198 0.000 1.090 108 H CA 1.252 57.517 56.048 0.362 0.000 1.327 108 H CB -0.321 29.610 29.762 0.282 0.000 1.383 108 H HN 0.062 nan 8.280 nan 0.000 0.508 109 I N 0.202 120.816 120.570 0.072 0.000 2.163 109 I HA -0.318 3.853 4.170 0.001 0.000 0.243 109 I C 2.046 178.052 176.117 -0.185 0.000 1.085 109 I CA 1.326 62.556 61.300 -0.116 0.000 1.347 109 I CB -0.339 37.619 38.000 -0.070 0.000 1.044 109 I HN 0.373 nan 8.210 nan 0.000 0.408 110 N N 1.108 119.752 118.700 -0.093 0.000 2.120 110 N HA -0.124 4.617 4.740 0.001 0.000 0.188 110 N C 1.878 177.269 175.510 -0.198 0.000 1.024 110 N CA 1.663 54.645 53.050 -0.114 0.000 0.852 110 N CB -0.693 37.766 38.487 -0.047 0.000 1.003 110 N HN 0.444 nan 8.380 nan 0.000 0.424 111 G N 0.846 109.487 108.800 -0.266 0.000 2.404 111 G HA2 -0.150 3.810 3.960 0.001 0.000 0.215 111 G HA3 -0.150 3.810 3.960 0.001 0.000 0.215 111 G C 1.752 176.331 174.900 -0.535 0.000 1.174 111 G CA 0.789 45.488 45.100 -0.667 0.000 0.780 111 G HN 0.186 nan 8.290 nan 0.000 0.537 112 V N 1.046 120.750 119.914 -0.349 0.000 2.270 112 V HA -0.139 3.981 4.120 0.001 0.000 0.245 112 V C 2.900 178.937 176.094 -0.095 0.000 1.043 112 V CA 1.966 64.225 62.300 -0.068 0.000 1.014 112 V CB -0.454 31.326 31.823 -0.071 0.000 0.645 112 V HN 0.331 nan 8.190 nan 0.000 0.447 113 M N 0.344 119.775 119.600 -0.281 0.000 2.213 113 M HA -0.082 4.398 4.480 0.001 0.000 0.263 113 M C 2.231 178.476 176.300 -0.092 0.000 1.062 113 M CA 1.917 57.087 55.300 -0.217 0.000 1.105 113 M CB -0.803 31.563 32.600 -0.389 0.000 1.385 113 M HN 0.514 nan 8.290 nan 0.000 0.417 114 G N -1.033 107.666 108.800 -0.168 0.000 2.402 114 G HA2 -0.276 3.685 3.960 0.001 0.000 0.216 114 G HA3 -0.276 3.685 3.960 0.001 0.000 0.216 114 G C 1.174 175.938 174.900 -0.227 0.000 1.162 114 G CA 1.188 46.189 45.100 -0.165 0.000 0.777 114 G HN 0.474 nan 8.290 nan 0.000 0.539 115 H N -0.534 118.248 119.070 -0.480 0.000 2.387 115 H HA -0.035 4.521 4.556 0.001 0.000 0.299 115 H C 1.154 176.038 175.328 -0.741 0.000 1.090 115 H CA 1.231 56.805 56.048 -0.790 0.000 1.332 115 H CB -0.087 28.694 29.762 -1.636 0.000 1.386 115 H HN 0.412 nan 8.280 nan 0.000 0.516 116 Y N 0.485 120.598 120.300 -0.312 0.000 2.571 116 Y HA 0.215 4.766 4.550 0.001 0.000 0.275 116 Y C 0.603 176.429 175.900 -0.124 0.000 1.179 116 Y CA -0.481 57.457 58.100 -0.269 0.000 1.242 116 Y CB -0.157 38.282 38.460 -0.036 0.000 1.126 116 Y HN -0.003 nan 8.280 nan 0.000 0.524 117 K N 0.692 121.078 120.400 -0.025 0.000 2.504 117 K HA 0.101 4.421 4.320 0.001 0.000 0.278 117 K C 1.314 177.923 176.600 0.014 0.000 1.025 117 K CA 1.321 57.615 56.287 0.012 0.000 1.093 117 K CB -0.187 32.286 32.500 -0.044 0.000 0.873 117 K HN 0.633 nan 8.250 nan 0.000 0.483 118 G N 3.691 112.527 108.800 0.061 0.000 2.189 118 G HA2 -0.317 3.644 3.960 0.001 0.000 0.267 118 G HA3 -0.317 3.644 3.960 0.001 0.000 0.267 118 G C 0.445 175.378 174.900 0.056 0.000 0.975 118 G CA 0.845 45.975 45.100 0.050 0.000 0.644 118 G HN 0.736 nan 8.290 nan 0.000 0.537 119 K N -0.589 119.848 120.400 0.062 0.000 2.374 119 K HA 0.378 4.699 4.320 0.001 0.000 0.202 119 K C 0.326 176.985 176.600 0.099 0.000 1.040 119 K CA -0.173 56.172 56.287 0.097 0.000 1.085 119 K CB 0.960 33.466 32.500 0.011 0.000 0.873 119 K HN 0.309 nan 8.250 nan 0.000 0.539 120 I N 0.962 121.542 120.570 0.017 0.000 2.378 120 I HA 0.207 4.377 4.170 0.001 0.000 0.291 120 I C 1.099 177.156 176.117 -0.100 0.000 0.992 120 I CA -0.319 60.891 61.300 -0.149 0.000 1.154 120 I CB 1.214 38.944 38.000 -0.450 0.000 1.315 120 I HN -0.023 nan 8.210 nan 0.000 0.448 121 A N 6.120 128.866 122.820 -0.124 0.000 1.897 121 A HA -0.023 4.298 4.320 0.001 0.000 0.215 121 A C 0.776 178.334 177.584 -0.042 0.000 1.181 121 A CA 1.132 53.129 52.037 -0.067 0.000 0.620 121 A CB 0.073 19.015 19.000 -0.096 0.000 0.821 121 A HN 0.775 nan 8.150 nan 0.000 0.443 122 Q N -2.903 116.825 119.800 -0.120 0.000 2.315 122 Q HA 0.450 4.791 4.340 0.001 0.000 0.273 122 Q C -2.054 173.872 176.000 -0.123 0.000 1.053 122 Q CA -0.270 55.513 55.803 -0.034 0.000 0.817 122 Q CB 2.075 30.814 28.738 0.003 0.000 1.326 122 Q HN 0.547 nan 8.270 nan 0.000 0.423 123 W N 1.756 123.079 121.300 0.038 0.000 2.532 123 W HA 0.313 4.973 4.660 0.000 0.000 0.321 123 W C -0.620 175.907 176.519 0.014 0.000 1.037 123 W CA -0.468 56.885 57.345 0.014 0.000 1.220 123 W CB 1.582 31.043 29.460 0.003 0.000 1.361 123 W HN 0.450 nan 8.180 nan 0.000 0.468 124 D N 3.692 124.284 120.400 0.320 0.000 2.435 124 D HA 0.046 4.687 4.640 0.001 0.000 0.230 124 D C 1.161 177.520 176.300 0.098 0.000 1.215 124 D CA 0.236 54.330 54.000 0.156 0.000 0.947 124 D CB 1.246 42.110 40.800 0.106 0.000 1.048 124 D HN 0.121 nan 8.370 nan 0.000 0.512 125 V N 1.935 121.847 119.914 -0.004 0.000 2.261 125 V HA -0.126 3.994 4.120 0.001 0.000 0.246 125 V C 1.102 177.073 176.094 -0.205 0.000 1.047 125 V CA 1.072 63.224 62.300 -0.247 0.000 1.015 125 V CB 0.038 31.408 31.823 -0.755 0.000 0.642 125 V HN 0.268 nan 8.190 nan 0.000 0.446 126 V N -0.507 119.324 119.914 -0.138 0.000 2.656 126 V HA 0.622 4.742 4.120 0.001 0.000 0.307 126 V C -0.537 175.567 176.094 0.016 0.000 1.051 126 V CA -0.264 62.080 62.300 0.074 0.000 0.893 126 V CB 1.958 33.900 31.823 0.199 0.000 0.999 126 V HN 0.310 nan 8.190 nan 0.000 0.426 127 S N 1.368 117.132 115.700 0.108 0.000 2.569 127 S HA 0.633 5.103 4.470 0.001 0.000 0.280 127 S C -0.455 174.466 174.600 0.534 0.000 1.111 127 S CA -0.569 57.672 58.200 0.068 0.000 0.887 127 S CB 1.179 64.234 63.200 -0.242 0.000 1.095 127 S HN 0.971 nan 8.310 nan 0.000 0.476 128 H N -0.263 118.989 119.070 0.304 0.000 2.741 128 H HA -0.190 4.366 4.556 0.001 0.000 0.305 128 H C 1.058 176.704 175.328 0.532 0.000 1.169 128 H CA 0.595 56.942 56.048 0.497 0.000 1.144 128 H CB -1.796 28.424 29.762 0.763 0.000 1.397 128 H HN 0.677 nan 8.280 nan 0.000 0.409 129 A N -1.141 122.127 122.820 0.746 0.000 2.167 129 A HA 0.234 4.554 4.320 0.001 0.000 0.214 129 A C 0.527 178.266 177.584 0.257 0.000 1.151 129 A CA 0.421 52.825 52.037 0.613 0.000 0.735 129 A CB 0.193 19.540 19.000 0.579 0.000 0.802 129 A HN 0.172 nan 8.150 nan 0.000 0.467 130 F N -0.853 119.231 119.950 0.222 0.000 2.470 130 F HA 0.534 5.062 4.527 0.001 0.000 0.329 130 F C 0.903 176.709 175.800 0.009 0.000 1.072 130 F CA -0.871 57.180 58.000 0.085 0.000 0.989 130 F CB 1.495 40.523 39.000 0.047 0.000 1.193 130 F HN -0.068 nan 8.300 nan 0.000 0.481 131 S N 0.193 115.969 115.700 0.126 0.000 2.617 131 S HA 0.188 4.659 4.470 0.001 0.000 0.269 131 S C 0.330 174.946 174.600 0.028 0.000 1.292 131 S CA -0.598 57.632 58.200 0.049 0.000 1.010 131 S CB 0.518 63.728 63.200 0.018 0.000 0.944 131 S HN 0.609 nan 8.310 nan 0.000 0.536 132 D N 1.079 121.481 120.400 0.003 0.000 2.369 132 D HA 0.061 4.702 4.640 0.001 0.000 0.211 132 D C 0.694 176.972 176.300 -0.036 0.000 1.077 132 D CA 0.204 54.185 54.000 -0.032 0.000 0.842 132 D CB 0.053 40.855 40.800 0.004 0.000 0.947 132 D HN 0.749 nan 8.370 nan 0.000 0.509 133 D N 0.045 120.437 120.400 -0.014 0.000 2.378 133 D HA -0.026 4.614 4.640 0.001 0.000 0.222 133 D C 1.634 177.921 176.300 -0.021 0.000 0.980 133 D CA 0.919 54.909 54.000 -0.016 0.000 0.907 133 D CB -0.252 40.544 40.800 -0.007 0.000 0.899 133 D HN 0.171 nan 8.370 nan 0.000 0.527 134 G N -0.412 108.373 108.800 -0.025 0.000 2.175 134 G HA2 -0.342 3.619 3.960 0.001 0.000 0.244 134 G HA3 -0.342 3.619 3.960 0.001 0.000 0.244 134 G C 1.150 176.052 174.900 0.004 0.000 0.982 134 G CA 0.786 45.873 45.100 -0.022 0.000 0.641 134 G HN 0.706 nan 8.290 nan 0.000 0.527 135 S N -0.494 115.215 115.700 0.015 0.000 2.478 135 S HA 0.402 4.873 4.470 0.001 0.000 0.222 135 S C 2.327 176.956 174.600 0.047 0.000 1.008 135 S CA 1.507 59.721 58.200 0.024 0.000 0.928 135 S CB 0.177 63.389 63.200 0.019 0.000 0.781 135 S HN 2.349 nan 8.310 nan 0.000 0.518 136 G N 0.605 109.451 108.800 0.077 0.000 2.162 136 G HA2 -0.107 3.853 3.960 0.001 0.000 0.260 136 G HA3 -0.107 3.853 3.960 0.001 0.000 0.260 136 G C 0.424 175.466 174.900 0.237 0.000 0.976 136 G CA 0.088 45.270 45.100 0.137 0.000 0.655 136 G HN 1.068 nan 8.290 nan 0.000 0.533 137 G N -0.949 107.933 108.800 0.138 0.000 2.537 137 G HA2 0.616 4.576 3.960 0.001 0.000 0.297 137 G HA3 0.616 4.576 3.960 0.001 0.000 0.297 137 G C 0.224 175.062 174.900 -0.103 0.000 1.310 137 G CA -0.829 44.300 45.100 0.047 0.000 1.027 137 G HN 0.326 nan 8.290 nan 0.000 0.505 138 R N -0.233 120.100 120.500 -0.279 0.000 2.641 138 R HA 0.174 4.515 4.340 0.001 0.000 0.269 138 R C 0.724 176.937 176.300 -0.145 0.000 1.074 138 R CA -0.354 55.513 56.100 -0.388 0.000 1.133 138 R CB 0.725 30.872 30.300 -0.256 0.000 1.029 138 R HN 0.779 nan 8.270 nan 0.000 0.488 139 R N 0.083 120.526 120.500 -0.094 0.000 2.490 139 R HA 0.145 4.485 4.340 0.001 0.000 0.278 139 R C -0.605 175.651 176.300 -0.074 0.000 1.069 139 R CA -0.523 55.539 56.100 -0.064 0.000 1.080 139 R CB 0.518 30.772 30.300 -0.077 0.000 1.030 139 R HN 0.371 nan 8.270 nan 0.000 0.491 140 D N 2.029 122.379 120.400 -0.082 0.000 2.336 140 D HA 0.142 4.783 4.640 0.001 0.000 0.249 140 D C -1.020 175.207 176.300 -0.121 0.000 1.213 140 D CA 0.222 54.172 54.000 -0.084 0.000 0.870 140 D CB 0.710 41.472 40.800 -0.063 0.000 1.076 140 D HN 0.670 nan 8.370 nan 0.000 0.483 141 S N 2.569 118.183 115.700 -0.144 0.000 2.651 141 S HA 0.300 4.770 4.470 0.001 0.000 0.279 141 S C 1.039 175.516 174.600 -0.204 0.000 1.148 141 S CA -0.848 57.250 58.200 -0.169 0.000 0.837 141 S CB 1.071 64.161 63.200 -0.184 0.000 1.138 141 S HN 0.396 nan 8.310 nan 0.000 0.478 142 N N 1.249 119.829 118.700 -0.200 0.000 2.149 142 N HA -0.128 4.612 4.740 0.001 0.000 0.188 142 N C 1.511 176.839 175.510 -0.304 0.000 1.019 142 N CA 1.562 54.488 53.050 -0.207 0.000 0.857 142 N CB -1.053 37.326 38.487 -0.180 0.000 0.997 142 N HN 0.669 nan 8.380 nan 0.000 0.426 143 L N -0.292 120.644 121.223 -0.478 0.000 2.056 143 L HA -0.113 4.228 4.340 0.001 0.000 0.207 143 L C 2.799 179.048 176.870 -1.035 0.000 1.078 143 L CA 1.315 55.660 54.840 -0.826 0.000 0.749 143 L CB -0.532 40.727 42.059 -1.332 0.000 0.901 143 L HN 0.215 nan 8.230 nan 0.000 0.433 144 Q N 0.658 119.962 119.800 -0.827 0.000 2.170 144 Q HA -0.164 4.177 4.340 0.001 0.000 0.203 144 Q C 2.117 178.026 176.000 -0.151 0.000 0.976 144 Q CA 1.528 57.112 55.803 -0.365 0.000 0.858 144 Q CB -0.060 28.641 28.738 -0.062 0.000 0.907 144 Q HN 0.302 nan 8.270 nan 0.000 0.433 145 R N -0.452 119.944 120.500 -0.173 0.000 2.280 145 R HA -0.018 4.322 4.340 0.001 0.000 0.207 145 R C 1.848 178.108 176.300 -0.066 0.000 1.043 145 R CA 1.310 57.356 56.100 -0.091 0.000 1.006 145 R CB -0.229 30.016 30.300 -0.092 0.000 0.885 145 R HN 0.462 nan 8.270 nan 0.000 0.467 146 T N -2.541 111.956 114.554 -0.096 0.000 3.088 146 T HA 0.178 4.529 4.350 0.001 0.000 0.259 146 T C 0.830 175.555 174.700 0.041 0.000 1.122 146 T CA 0.495 62.575 62.100 -0.033 0.000 1.095 146 T CB 0.586 69.427 68.868 -0.046 0.000 0.930 146 T HN 0.318 nan 8.240 nan 0.000 0.508 147 G N 0.742 109.588 108.800 0.078 0.000 2.397 147 G HA2 0.045 4.005 3.960 0.001 0.000 0.453 147 G HA3 0.045 4.005 3.960 0.001 0.000 0.453 147 G C -0.158 174.900 174.900 0.263 0.000 1.579 147 G CA -0.328 44.853 45.100 0.136 0.000 0.906 147 G HN 0.081 nan 8.290 nan 0.000 0.675 148 N N 0.430 119.252 118.700 0.203 0.000 2.430 148 N HA -0.114 4.626 4.740 0.001 0.000 0.186 148 N C 1.775 177.405 175.510 0.201 0.000 1.032 148 N CA 1.925 55.106 53.050 0.219 0.000 0.893 148 N CB 0.197 38.749 38.487 0.109 0.000 0.957 148 N HN 0.639 nan 8.380 nan 0.000 0.442 149 D N -0.471 120.044 120.400 0.192 0.000 2.328 149 D HA -0.115 4.525 4.640 0.001 0.000 0.226 149 D C 1.719 178.126 176.300 0.179 0.000 1.066 149 D CA -0.114 53.972 54.000 0.144 0.000 0.861 149 D CB -0.919 39.947 40.800 0.111 0.000 0.912 149 D HN 0.560 nan 8.370 nan 0.000 0.521 150 W N 1.520 122.875 121.300 0.093 0.000 2.338 150 W HA -0.135 4.525 4.660 0.001 0.000 0.304 150 W C 1.509 178.115 176.519 0.145 0.000 1.212 150 W CA 0.221 57.624 57.345 0.098 0.000 1.264 150 W CB -1.084 28.426 29.460 0.083 0.000 1.142 150 W HN -0.085 nan 8.180 nan 0.000 0.512 151 I N 1.355 121.603 120.570 -0.536 0.000 2.179 151 I HA -0.295 3.876 4.170 0.001 0.000 0.242 151 I C 2.792 178.950 176.117 0.068 0.000 1.088 151 I CA 2.235 63.295 61.300 -0.400 0.000 1.357 151 I CB -0.796 36.981 38.000 -0.372 0.000 1.051 151 I HN 0.034 nan 8.210 nan 0.000 0.409 152 E N 1.027 121.230 120.200 0.005 0.000 2.085 152 E HA -0.199 4.152 4.350 0.001 0.000 0.194 152 E C 2.311 178.882 176.600 -0.048 0.000 0.994 152 E CA 1.505 57.782 56.400 -0.205 0.000 0.801 152 E CB 0.154 29.721 29.700 -0.223 0.000 0.743 152 E HN 0.273 nan 8.360 nan 0.000 0.453 153 V N 1.135 121.068 119.914 0.032 0.000 2.343 153 V HA -0.258 3.863 4.120 0.001 0.000 0.247 153 V C 2.447 178.579 176.094 0.063 0.000 1.051 153 V CA 1.715 64.051 62.300 0.059 0.000 1.036 153 V CB -0.758 31.130 31.823 0.108 0.000 0.654 153 V HN 0.433 nan 8.190 nan 0.000 0.451 154 A N -0.407 122.459 122.820 0.076 0.000 1.908 154 A HA -0.214 4.107 4.320 0.001 0.000 0.218 154 A C 2.045 179.569 177.584 -0.101 0.000 1.181 154 A CA 1.980 54.017 52.037 0.001 0.000 0.627 154 A CB -0.736 18.254 19.000 -0.017 0.000 0.818 154 A HN 0.467 nan 8.150 nan 0.000 0.445 155 F N -0.273 119.656 119.950 -0.035 0.000 2.146 155 F HA -0.074 4.453 4.527 0.001 0.000 0.298 155 F C 2.598 178.361 175.800 -0.061 0.000 1.096 155 F CA 1.622 59.593 58.000 -0.049 0.000 1.275 155 F CB -0.244 38.691 39.000 -0.109 0.000 1.008 155 F HN 0.100 nan 8.300 nan 0.000 0.480 156 R N -0.622 119.932 120.500 0.090 0.000 2.096 156 R HA -0.114 4.227 4.340 0.001 0.000 0.235 156 R C 2.087 178.401 176.300 0.023 0.000 1.127 156 R CA 1.846 57.966 56.100 0.035 0.000 0.968 156 R CB -0.948 29.352 30.300 0.001 0.000 0.861 156 R HN 0.209 nan 8.270 nan 0.000 0.440 157 T N 0.943 115.504 114.554 0.012 0.000 2.708 157 T HA -0.143 4.207 4.350 0.001 0.000 0.266 157 T C 1.965 176.646 174.700 -0.031 0.000 1.037 157 T CA 1.461 63.558 62.100 -0.005 0.000 1.146 157 T CB -0.248 68.619 68.868 -0.001 0.000 0.865 157 T HN 0.376 nan 8.240 nan 0.000 0.435 158 A N 1.811 124.598 122.820 -0.055 0.000 1.902 158 A HA -0.124 4.196 4.320 0.001 0.000 0.217 158 A C 2.248 179.821 177.584 -0.018 0.000 1.181 158 A CA 2.039 54.023 52.037 -0.087 0.000 0.623 158 A CB -0.570 18.348 19.000 -0.138 0.000 0.818 158 A HN 0.343 nan 8.150 nan 0.000 0.443 159 R N 0.290 120.811 120.500 0.035 0.000 2.091 159 R HA -0.083 4.258 4.340 0.001 0.000 0.238 159 R C 2.089 178.405 176.300 0.027 0.000 1.136 159 R CA 2.144 58.276 56.100 0.053 0.000 0.959 159 R CB -0.861 29.477 30.300 0.063 0.000 0.856 159 R HN 0.394 nan 8.270 nan 0.000 0.437 160 A N 0.037 122.864 122.820 0.011 0.000 1.930 160 A HA 0.066 4.387 4.320 0.001 0.000 0.217 160 A C 2.370 179.948 177.584 -0.010 0.000 1.175 160 A CA 1.520 53.558 52.037 0.002 0.000 0.627 160 A CB -0.965 18.035 19.000 -0.001 0.000 0.815 160 A HN 0.495 nan 8.150 nan 0.000 0.443 161 A N -1.128 121.675 122.820 -0.028 0.000 1.902 161 A HA -0.019 4.301 4.320 0.001 0.000 0.217 161 A C 0.981 178.546 177.584 -0.031 0.000 1.181 161 A CA 1.815 53.822 52.037 -0.050 0.000 0.623 161 A CB -0.108 18.832 19.000 -0.100 0.000 0.818 161 A HN 0.411 nan 8.150 nan 0.000 0.443 162 D N -2.840 117.557 120.400 -0.005 0.000 2.337 162 D HA 0.334 4.974 4.640 0.001 0.000 0.238 162 D C -2.549 173.789 176.300 0.063 0.000 1.331 162 D CA -1.489 52.533 54.000 0.037 0.000 0.967 162 D CB 1.095 41.944 40.800 0.081 0.000 1.382 162 D HN -0.094 nan 8.370 nan 0.000 0.549 163 P HA 0.005 nan 4.420 nan 0.000 0.225 163 P C 0.910 178.252 177.300 0.070 0.000 1.148 163 P CA 0.723 63.857 63.100 0.056 0.000 0.779 163 P CB 0.407 32.130 31.700 0.038 0.000 0.780 164 A N -0.917 121.948 122.820 0.075 0.000 2.123 164 A HA 0.378 4.698 4.320 0.001 0.000 0.214 164 A C 1.278 178.922 177.584 0.101 0.000 1.152 164 A CA 0.414 52.498 52.037 0.077 0.000 0.728 164 A CB -0.666 18.372 19.000 0.064 0.000 0.814 164 A HN 0.223 nan 8.150 nan 0.000 0.464 165 A N 0.416 123.322 122.820 0.143 0.000 2.310 165 A HA 0.525 4.845 4.320 0.001 0.000 0.299 165 A C 0.033 177.727 177.584 0.183 0.000 1.147 165 A CA -0.528 51.621 52.037 0.187 0.000 0.818 165 A CB 0.247 19.460 19.000 0.355 0.000 1.096 165 A HN 0.353 nan 8.150 nan 0.000 0.495 166 K N 1.678 122.175 120.400 0.163 0.000 2.322 166 K HA 0.352 4.673 4.320 0.001 0.000 0.283 166 K C -0.985 175.756 176.600 0.234 0.000 1.042 166 K CA 0.158 56.547 56.287 0.171 0.000 0.958 166 K CB 0.617 33.202 32.500 0.142 0.000 0.984 166 K HN 0.585 nan 8.250 nan 0.000 0.473 167 L N 4.171 125.560 121.223 0.276 0.000 2.257 167 L HA 0.330 4.671 4.340 0.001 0.000 0.290 167 L C -0.423 176.735 176.870 0.481 0.000 1.044 167 L CA -0.893 54.184 54.840 0.394 0.000 0.810 167 L CB 0.931 43.283 42.059 0.488 0.000 1.193 167 L HN 0.655 nan 8.230 nan 0.000 0.425 168 c N 1.928 120.792 118.600 0.440 0.000 2.529 168 c HA 0.463 5.034 4.570 0.001 0.000 0.329 168 c C -0.238 174.157 174.090 0.509 0.000 1.194 168 c CA -0.983 55.580 56.329 0.390 0.000 1.779 168 c CB 1.422 44.056 42.510 0.206 0.000 2.322 168 c HN 0.626 nan 8.230 nan 0.000 0.500 169 Y N 2.542 123.058 120.300 0.360 0.000 2.328 169 Y HA 0.531 5.081 4.550 0.001 0.000 0.337 169 Y C -0.237 175.713 175.900 0.083 0.000 1.008 169 Y CA -0.281 58.021 58.100 0.337 0.000 1.129 169 Y CB 0.506 39.117 38.460 0.252 0.000 1.185 169 Y HN 0.790 nan 8.280 nan 0.000 0.476 170 N N 4.436 122.709 118.700 -0.713 0.000 2.342 170 N HA 0.414 5.154 4.740 0.001 0.000 0.293 170 N C -2.008 173.186 175.510 -0.526 0.000 1.026 170 N CA -0.307 52.448 53.050 -0.491 0.000 0.857 170 N CB 1.280 39.646 38.487 -0.203 0.000 1.256 170 N HN 0.774 nan 8.380 nan 0.000 0.484 171 D N 0.393 120.598 120.400 -0.325 0.000 2.639 171 D HA 0.252 4.892 4.640 0.001 0.000 0.271 171 D C -1.398 174.845 176.300 -0.095 0.000 1.254 171 D CA -0.284 53.622 54.000 -0.157 0.000 0.810 171 D CB 0.928 41.663 40.800 -0.108 0.000 1.351 171 D HN 0.418 nan 8.370 nan 0.000 0.427 172 Y N -0.431 119.778 120.300 -0.151 0.000 2.602 172 Y HA 0.518 5.068 4.550 0.001 0.000 0.330 172 Y C 0.710 176.626 175.900 0.027 0.000 1.114 172 Y CA -0.913 57.143 58.100 -0.073 0.000 1.182 172 Y CB 0.483 38.906 38.460 -0.063 0.000 1.305 172 Y HN 0.581 nan 8.280 nan 0.000 0.502 173 N N 0.542 119.361 118.700 0.197 0.000 2.725 173 N HA -0.223 4.517 4.740 0.001 0.000 0.249 173 N C -0.245 175.487 175.510 0.369 0.000 1.103 173 N CA 0.944 54.141 53.050 0.245 0.000 0.707 173 N CB -1.033 37.418 38.487 -0.060 0.000 1.043 173 N HN 0.788 nan 8.380 nan 0.000 0.553 174 I N -3.868 116.901 120.570 0.331 0.000 3.658 174 I HA 0.296 4.466 4.170 0.001 0.000 0.328 174 I C 0.652 177.059 176.117 0.483 0.000 1.567 174 I CA -0.483 61.027 61.300 0.349 0.000 1.078 174 I CB 0.602 38.693 38.000 0.151 0.000 1.267 174 I HN -0.155 nan 8.210 nan 0.000 0.495 175 E N 1.032 121.456 120.200 0.374 0.000 2.127 175 E HA 0.088 4.439 4.350 0.001 0.000 0.191 175 E C 0.756 177.398 176.600 0.069 0.000 0.964 175 E CA 0.317 56.853 56.400 0.227 0.000 0.832 175 E CB 0.064 29.669 29.700 -0.159 0.000 0.790 175 E HN 0.368 nan 8.360 nan 0.000 0.465 176 N N 0.957 119.378 118.700 -0.464 0.000 2.420 176 N HA -0.087 4.654 4.740 0.001 0.000 0.262 176 N C 0.202 175.490 175.510 -0.369 0.000 1.144 176 N CA -0.003 52.566 53.050 -0.802 0.000 0.952 176 N CB 0.304 37.468 38.487 -2.206 0.000 1.081 176 N HN 0.301 nan 8.380 nan 0.000 0.480 177 W N 3.682 124.823 121.300 -0.266 0.000 2.350 177 W HA -0.210 4.451 4.660 0.001 0.000 0.289 177 W C 1.272 177.723 176.519 -0.114 0.000 1.215 177 W CA 1.924 59.193 57.345 -0.127 0.000 1.236 177 W CB 0.039 29.423 29.460 -0.126 0.000 1.130 177 W HN 0.632 nan 8.180 nan 0.000 0.541 178 T N -2.531 111.879 114.554 -0.240 0.000 3.085 178 T HA -0.116 4.234 4.350 0.001 0.000 0.263 178 T C 0.460 175.129 174.700 -0.052 0.000 1.127 178 T CA 0.084 62.066 62.100 -0.198 0.000 1.103 178 T CB -0.629 68.194 68.868 -0.075 0.000 0.921 178 T HN -0.057 nan 8.240 nan 0.000 0.510 179 W N 1.354 122.579 121.300 -0.124 0.000 2.238 179 W HA 0.699 5.360 4.660 0.001 0.000 0.321 179 W C 1.557 177.990 176.519 -0.144 0.000 1.293 179 W CA -1.603 55.687 57.345 -0.092 0.000 1.204 179 W CB 0.214 29.655 29.460 -0.031 0.000 1.167 179 W HN 0.228 nan 8.180 nan 0.000 0.553 180 A N 3.162 126.054 122.820 0.121 0.000 1.908 180 A HA -0.255 4.065 4.320 0.001 0.000 0.218 180 A C 2.118 179.718 177.584 0.027 0.000 1.181 180 A CA 1.961 54.013 52.037 0.025 0.000 0.627 180 A CB -0.518 18.498 19.000 0.026 0.000 0.818 180 A HN 0.702 nan 8.150 nan 0.000 0.445 181 K N -0.955 119.486 120.400 0.068 0.000 2.032 181 K HA -0.160 4.160 4.320 0.001 0.000 0.209 181 K C 2.066 178.653 176.600 -0.021 0.000 1.048 181 K CA 1.950 58.264 56.287 0.044 0.000 0.927 181 K CB -0.364 32.156 32.500 0.033 0.000 0.712 181 K HN 0.496 nan 8.250 nan 0.000 0.441 182 T N 1.457 116.059 114.554 0.080 0.000 2.684 182 T HA -0.149 4.201 4.350 0.001 0.000 0.267 182 T C 1.795 176.482 174.700 -0.021 0.000 1.036 182 T CA 1.197 63.360 62.100 0.105 0.000 1.148 182 T CB -0.164 68.783 68.868 0.131 0.000 0.863 182 T HN 0.287 nan 8.240 nan 0.000 0.436 183 Q N 0.514 120.191 119.800 -0.204 0.000 2.124 183 Q HA -0.012 4.329 4.340 0.001 0.000 0.202 183 Q C 2.737 178.682 176.000 -0.093 0.000 0.977 183 Q CA 1.632 57.280 55.803 -0.258 0.000 0.850 183 Q CB -1.014 27.550 28.738 -0.290 0.000 0.901 183 Q HN 0.630 nan 8.270 nan 0.000 0.429 184 G N 0.381 109.118 108.800 -0.105 0.000 2.421 184 G HA2 -0.174 3.787 3.960 0.001 0.000 0.216 184 G HA3 -0.174 3.787 3.960 0.001 0.000 0.216 184 G C 1.633 176.289 174.900 -0.407 0.000 1.171 184 G CA 0.947 45.995 45.100 -0.087 0.000 0.775 184 G HN 0.267 nan 8.290 nan 0.000 0.543 185 V N -0.119 119.370 119.914 -0.709 0.000 2.358 185 V HA -0.183 3.938 4.120 0.001 0.000 0.246 185 V C 2.273 178.288 176.094 -0.132 0.000 1.047 185 V CA 1.740 63.626 62.300 -0.691 0.000 1.035 185 V CB -0.698 30.882 31.823 -0.406 0.000 0.658 185 V HN 0.482 nan 8.190 nan 0.000 0.452 186 Y N 2.030 122.300 120.300 -0.051 0.000 2.128 186 Y HA -0.253 4.298 4.550 0.001 0.000 0.284 186 Y C 2.526 178.271 175.900 -0.259 0.000 1.154 186 Y CA 2.088 60.010 58.100 -0.297 0.000 1.149 186 Y CB -0.371 37.896 38.460 -0.321 0.000 0.976 186 Y HN 0.294 nan 8.280 nan 0.000 0.505 187 N N 0.126 118.731 118.700 -0.159 0.000 2.166 187 N HA -0.226 4.514 4.740 0.001 0.000 0.186 187 N C 2.029 177.361 175.510 -0.296 0.000 1.019 187 N CA 1.722 54.651 53.050 -0.203 0.000 0.856 187 N CB -0.537 37.920 38.487 -0.050 0.000 0.993 187 N HN 0.541 nan 8.380 nan 0.000 0.426 188 M N 0.573 119.976 119.600 -0.328 0.000 2.099 188 M HA -0.107 4.374 4.480 0.001 0.000 0.262 188 M C 1.659 177.478 176.300 -0.802 0.000 1.067 188 M CA 1.330 56.310 55.300 -0.533 0.000 1.124 188 M CB 0.025 32.326 32.600 -0.498 0.000 1.353 188 M HN -0.137 nan 8.290 nan 0.000 0.410 189 V N 0.579 120.130 119.914 -0.604 0.000 2.407 189 V HA -0.268 3.853 4.120 0.001 0.000 0.248 189 V C 2.471 178.363 176.094 -0.336 0.000 1.055 189 V CA 2.202 64.243 62.300 -0.431 0.000 1.049 189 V CB -1.057 30.689 31.823 -0.127 0.000 0.662 189 V HN 0.552 nan 8.190 nan 0.000 0.455 190 R N 0.298 120.517 120.500 -0.467 0.000 2.081 190 R HA -0.236 4.105 4.340 0.001 0.000 0.235 190 R C 2.147 178.325 176.300 -0.204 0.000 1.131 190 R CA 2.263 58.126 56.100 -0.396 0.000 0.960 190 R CB -0.438 29.529 30.300 -0.554 0.000 0.856 190 R HN 0.620 nan 8.270 nan 0.000 0.436 191 D N -0.488 119.792 120.400 -0.201 0.000 2.097 191 D HA -0.190 4.451 4.640 0.001 0.000 0.195 191 D C 1.634 177.993 176.300 0.097 0.000 0.989 191 D CA 1.297 55.260 54.000 -0.063 0.000 0.827 191 D CB -0.081 40.674 40.800 -0.075 0.000 0.966 191 D HN 0.150 nan 8.370 nan 0.000 0.456 192 F N 1.081 120.952 119.950 -0.132 0.000 2.095 192 F HA -0.103 4.424 4.527 0.001 0.000 0.298 192 F C 2.326 178.060 175.800 -0.110 0.000 1.104 192 F CA 0.958 58.879 58.000 -0.133 0.000 1.232 192 F CB -0.853 38.026 39.000 -0.203 0.000 0.987 192 F HN 0.015 nan 8.300 nan 0.000 0.475 193 K N 0.480 120.935 120.400 0.091 0.000 2.097 193 K HA -0.157 4.163 4.320 0.001 0.000 0.206 193 K C 1.933 178.539 176.600 0.010 0.000 1.049 193 K CA 1.077 57.379 56.287 0.024 0.000 0.933 193 K CB -0.825 31.668 32.500 -0.012 0.000 0.717 193 K HN 0.452 nan 8.250 nan 0.000 0.442 194 Q N 0.168 119.970 119.800 0.004 0.000 2.119 194 Q HA -0.038 4.302 4.340 0.001 0.000 0.201 194 Q C 1.813 177.820 176.000 0.010 0.000 0.972 194 Q CA 1.057 56.860 55.803 -0.000 0.000 0.847 194 Q CB -0.033 28.699 28.738 -0.011 0.000 0.903 194 Q HN 0.246 nan 8.270 nan 0.000 0.433 195 R N -0.693 119.822 120.500 0.025 0.000 2.317 195 R HA 0.099 4.439 4.340 0.001 0.000 0.208 195 R C 0.783 177.081 176.300 -0.003 0.000 0.914 195 R CA 0.544 56.654 56.100 0.016 0.000 1.060 195 R CB 0.623 30.942 30.300 0.031 0.000 1.015 195 R HN 0.374 nan 8.270 nan 0.000 0.498 196 G N 1.014 109.811 108.800 -0.005 0.000 2.141 196 G HA2 -0.248 3.712 3.960 0.001 0.000 0.242 196 G HA3 -0.248 3.712 3.960 0.001 0.000 0.242 196 G C 0.219 175.086 174.900 -0.054 0.000 0.982 196 G CA -0.026 45.063 45.100 -0.019 0.000 0.662 196 G HN 0.134 nan 8.290 nan 0.000 0.527 197 V N 2.773 122.627 119.914 -0.101 0.000 2.540 197 V HA 0.276 4.396 4.120 0.001 0.000 0.297 197 V C -0.875 175.109 176.094 -0.182 0.000 1.024 197 V CA -0.358 61.795 62.300 -0.244 0.000 1.105 197 V CB 0.912 32.353 31.823 -0.637 0.000 0.938 197 V HN 0.318 nan 8.190 nan 0.000 0.482 198 P HA 0.249 nan 4.420 nan 0.000 0.266 198 P C -0.601 176.681 177.300 -0.031 0.000 1.419 198 P CA 0.416 63.499 63.100 -0.028 0.000 1.112 198 P CB 0.468 32.190 31.700 0.037 0.000 1.438 199 I N 2.732 123.251 120.570 -0.084 0.000 2.534 199 I HA 0.270 4.440 4.170 0.001 0.000 0.288 199 I C -0.016 176.118 176.117 0.029 0.000 1.077 199 I CA -0.677 60.541 61.300 -0.137 0.000 1.051 199 I CB 2.429 40.190 38.000 -0.398 0.000 1.234 199 I HN -0.003 nan 8.210 nan 0.000 0.425 200 D N 5.976 126.446 120.400 0.118 0.000 2.423 200 D HA 0.173 4.814 4.640 0.001 0.000 0.208 200 D C -0.080 176.305 176.300 0.142 0.000 1.068 200 D CA 0.464 54.539 54.000 0.125 0.000 0.860 200 D CB 0.647 41.532 40.800 0.142 0.000 0.992 200 D HN 0.586 nan 8.370 nan 0.000 0.504 201 c N -0.978 117.723 118.600 0.169 0.000 3.311 201 c HA 0.767 5.338 4.570 0.001 0.000 0.325 201 c C -0.697 173.493 174.090 0.166 0.000 1.352 201 c CA -1.002 55.430 56.329 0.172 0.000 1.308 201 c CB 1.603 44.215 42.510 0.171 0.000 1.619 201 c HN -0.107 nan 8.230 nan 0.000 0.469 202 V N 1.314 121.298 119.914 0.118 0.000 2.531 202 V HA 0.777 4.897 4.120 0.001 0.000 0.301 202 V C 0.608 176.600 176.094 -0.170 0.000 1.034 202 V CA 0.210 62.475 62.300 -0.059 0.000 0.865 202 V CB 1.769 33.439 31.823 -0.256 0.000 0.995 202 V HN 1.361 nan 8.190 nan 0.000 0.424 203 G N 3.500 112.151 108.800 -0.248 0.000 2.322 203 G HA2 0.619 4.579 3.960 0.001 0.000 0.309 203 G HA3 0.619 4.579 3.960 0.001 0.000 0.309 203 G C -1.054 173.611 174.900 -0.393 0.000 1.121 203 G CA -0.241 44.754 45.100 -0.175 0.000 0.886 203 G HN 0.440 nan 8.290 nan 0.000 0.447 204 F N 1.493 121.435 119.950 -0.013 0.000 2.332 204 F HA 0.273 4.801 4.527 0.001 0.000 0.368 204 F C 1.693 177.434 175.800 -0.099 0.000 1.110 204 F CA -0.621 57.379 58.000 -0.001 0.000 1.087 204 F CB 1.872 40.998 39.000 0.210 0.000 1.235 204 F HN 0.544 nan 8.300 nan 0.000 0.470 205 Q N 1.201 120.943 119.800 -0.096 0.000 2.152 205 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 205 Q C 0.703 176.406 176.000 -0.496 0.000 0.985 205 Q CA 1.488 57.103 55.803 -0.313 0.000 0.863 205 Q CB -0.172 28.401 28.738 -0.274 0.000 0.904 205 Q HN 0.755 nan 8.270 nan 0.000 0.422 206 S N 0.328 115.735 115.700 -0.488 0.000 3.797 206 S HA -0.118 4.353 4.470 0.001 0.000 0.374 206 S C -0.772 173.189 174.600 -1.064 0.000 0.970 206 S CA 0.085 57.698 58.200 -0.979 0.000 1.177 206 S CB -1.510 61.361 63.200 -0.548 0.000 0.891 206 S HN 0.412 nan 8.310 nan 0.000 0.491 207 H N 0.617 119.349 119.070 -0.564 0.000 2.872 207 H HA 0.363 4.919 4.556 0.001 0.000 0.273 207 H C -0.019 175.159 175.328 -0.251 0.000 1.205 207 H CA -0.086 55.825 56.048 -0.228 0.000 1.342 207 H CB -0.105 29.672 29.762 0.025 0.000 1.469 207 H HN 0.267 nan 8.280 nan 0.000 0.487 208 F N 3.020 123.071 119.950 0.170 0.000 2.404 208 F HA 0.219 4.747 4.527 0.001 0.000 0.339 208 F C 0.688 176.558 175.800 0.117 0.000 1.105 208 F CA -0.749 57.331 58.000 0.133 0.000 1.087 208 F CB 1.150 40.197 39.000 0.077 0.000 1.143 208 F HN 0.551 nan 8.300 nan 0.000 0.491 209 N N -2.137 116.754 118.700 0.319 0.000 3.106 209 N HA 0.214 4.955 4.740 0.001 0.000 0.253 209 N C -0.057 175.555 175.510 0.170 0.000 1.506 209 N CA -0.433 52.730 53.050 0.188 0.000 0.876 209 N CB 0.563 39.120 38.487 0.116 0.000 1.452 209 N HN 0.218 nan 8.380 nan 0.000 0.542 210 S N -2.326 113.442 115.700 0.113 0.000 2.507 210 S HA 0.049 4.520 4.470 0.001 0.000 0.235 210 S C 1.491 176.151 174.600 0.099 0.000 0.988 210 S CA 0.927 59.187 58.200 0.100 0.000 0.944 210 S CB -1.070 62.172 63.200 0.069 0.000 0.762 210 S HN 0.777 nan 8.310 nan 0.000 0.526 211 G N 1.254 110.110 108.800 0.094 0.000 2.426 211 G HA2 0.165 4.125 3.960 0.001 0.000 0.214 211 G HA3 0.165 4.125 3.960 0.001 0.000 0.214 211 G C 0.644 175.602 174.900 0.097 0.000 1.156 211 G CA 0.434 45.575 45.100 0.070 0.000 0.802 211 G HN 0.867 nan 8.290 nan 0.000 0.534 212 S N 0.749 116.555 115.700 0.178 0.000 2.216 212 S HA 0.559 5.029 4.470 0.001 0.000 0.156 212 S C -3.170 171.717 174.600 0.479 0.000 1.665 212 S CA -1.356 57.029 58.200 0.308 0.000 1.262 212 S CB 2.264 65.601 63.200 0.229 0.000 1.207 212 S HN -0.039 nan 8.310 nan 0.000 0.427 213 P HA 0.145 nan 4.420 nan 0.000 0.272 213 P C -0.446 176.952 177.300 0.164 0.000 1.223 213 P CA -0.310 62.956 63.100 0.276 0.000 0.784 213 P CB 0.214 32.014 31.700 0.167 0.000 0.923 214 Y N 2.740 122.863 120.300 -0.296 0.000 2.497 214 Y HA 0.211 4.761 4.550 0.001 0.000 0.334 214 Y C 0.044 175.715 175.900 -0.381 0.000 1.199 214 Y CA 0.341 57.911 58.100 -0.883 0.000 1.425 214 Y CB 0.321 38.071 38.460 -1.184 0.000 1.291 214 Y HN 0.308 nan 8.280 nan 0.000 0.562 215 N N 2.332 120.269 118.700 -1.272 0.000 2.235 215 N HA 0.085 4.825 4.740 0.001 0.000 0.293 215 N C 0.266 175.105 175.510 -1.118 0.000 1.083 215 N CA 0.220 52.741 53.050 -0.881 0.000 0.801 215 N CB 2.127 40.318 38.487 -0.494 0.000 1.559 215 N HN 0.821 nan 8.380 nan 0.000 0.472 216 S N 2.252 117.581 115.700 -0.618 0.000 2.419 216 S HA -0.233 4.237 4.470 0.001 0.000 0.235 216 S C 1.220 175.691 174.600 -0.215 0.000 1.019 216 S CA 1.481 59.500 58.200 -0.303 0.000 0.982 216 S CB -0.549 62.596 63.200 -0.092 0.000 0.789 216 S HN 0.785 nan 8.310 nan 0.000 0.490 217 N N 1.087 119.651 118.700 -0.226 0.000 2.609 217 N HA -0.063 4.677 4.740 0.001 0.000 0.190 217 N C 0.992 176.463 175.510 -0.066 0.000 1.157 217 N CA 0.411 53.381 53.050 -0.134 0.000 0.918 217 N CB -1.000 37.431 38.487 -0.093 0.000 0.978 217 N HN 0.455 nan 8.380 nan 0.000 0.448 218 F N 1.722 121.501 119.950 -0.284 0.000 2.216 218 F HA 0.057 4.584 4.527 0.001 0.000 0.300 218 F C 2.261 177.972 175.800 -0.148 0.000 1.085 218 F CA 0.810 58.698 58.000 -0.186 0.000 1.326 218 F CB -0.323 38.602 39.000 -0.126 0.000 1.027 218 F HN 0.100 nan 8.300 nan 0.000 0.497 219 R N -0.407 119.963 120.500 -0.216 0.000 2.096 219 R HA -0.126 4.215 4.340 0.001 0.000 0.235 219 R C 1.962 178.085 176.300 -0.295 0.000 1.127 219 R CA 1.925 57.835 56.100 -0.316 0.000 0.968 219 R CB -0.492 29.707 30.300 -0.168 0.000 0.861 219 R HN 0.269 nan 8.270 nan 0.000 0.440 220 T N -0.101 114.307 114.554 -0.242 0.000 2.746 220 T HA -0.098 4.252 4.350 0.001 0.000 0.267 220 T C 1.687 176.167 174.700 -0.367 0.000 1.039 220 T CA 1.804 63.713 62.100 -0.317 0.000 1.142 220 T CB -0.290 68.369 68.868 -0.349 0.000 0.866 220 T HN 0.346 nan 8.240 nan 0.000 0.444 221 T N 2.592 117.034 114.554 -0.187 0.000 2.708 221 T HA 0.022 4.372 4.350 0.001 0.000 0.266 221 T C 1.998 176.708 174.700 0.016 0.000 1.037 221 T CA 0.935 63.084 62.100 0.081 0.000 1.146 221 T CB -0.515 68.550 68.868 0.328 0.000 0.865 221 T HN 0.253 nan 8.240 nan 0.000 0.435 222 L N 0.713 121.720 121.223 -0.359 0.000 2.042 222 L HA -0.188 4.153 4.340 0.001 0.000 0.210 222 L C 2.881 179.682 176.870 -0.115 0.000 1.076 222 L CA 1.530 56.135 54.840 -0.391 0.000 0.749 222 L CB -0.640 41.044 42.059 -0.624 0.000 0.893 222 L HN 0.347 nan 8.230 nan 0.000 0.432 223 Q N -0.442 119.256 119.800 -0.170 0.000 2.119 223 Q HA -0.151 4.190 4.340 0.001 0.000 0.201 223 Q C 2.021 177.966 176.000 -0.092 0.000 0.972 223 Q CA 1.189 56.915 55.803 -0.127 0.000 0.847 223 Q CB -0.109 28.523 28.738 -0.176 0.000 0.903 223 Q HN 0.484 nan 8.270 nan 0.000 0.433 224 N N 0.159 118.758 118.700 -0.168 0.000 2.142 224 N HA -0.107 4.633 4.740 0.001 0.000 0.186 224 N C 1.404 176.968 175.510 0.090 0.000 1.023 224 N CA 1.124 54.047 53.050 -0.212 0.000 0.852 224 N CB -0.235 37.807 38.487 -0.741 0.000 0.998 224 N HN 0.171 nan 8.380 nan 0.000 0.424 225 F N 1.314 121.369 119.950 0.175 0.000 2.206 225 F HA 0.026 4.553 4.527 0.001 0.000 0.298 225 F C 2.357 178.245 175.800 0.145 0.000 1.090 225 F CA 0.848 59.015 58.000 0.277 0.000 1.323 225 F CB -0.522 38.707 39.000 0.383 0.000 1.028 225 F HN -0.002 nan 8.300 nan 0.000 0.492 226 A N 0.006 122.978 122.820 0.254 0.000 1.940 226 A HA -0.110 4.210 4.320 0.001 0.000 0.219 226 A C 2.340 179.976 177.584 0.086 0.000 1.176 226 A CA 1.638 53.757 52.037 0.136 0.000 0.631 226 A CB -1.243 17.793 19.000 0.060 0.000 0.814 226 A HN 0.297 nan 8.150 nan 0.000 0.446 227 A N -0.550 122.308 122.820 0.063 0.000 2.121 227 A HA 0.093 4.414 4.320 0.001 0.000 0.218 227 A C 1.929 179.534 177.584 0.036 0.000 1.154 227 A CA 1.114 53.170 52.037 0.030 0.000 0.679 227 A CB -0.485 18.517 19.000 0.003 0.000 0.795 227 A HN 0.488 nan 8.150 nan 0.000 0.458 228 L N -1.585 119.670 121.223 0.052 0.000 2.478 228 L HA 0.128 4.469 4.340 0.001 0.000 0.223 228 L C 1.637 178.521 176.870 0.023 0.000 1.140 228 L CA 0.677 55.520 54.840 0.006 0.000 0.842 228 L CB -0.212 41.816 42.059 -0.051 0.000 0.953 228 L HN 0.582 nan 8.230 nan 0.000 0.452 229 G N 0.648 109.479 108.800 0.051 0.000 2.131 229 G HA2 -0.193 3.767 3.960 0.001 0.000 0.201 229 G HA3 -0.193 3.767 3.960 0.001 0.000 0.201 229 G C 0.024 174.967 174.900 0.071 0.000 1.000 229 G CA -0.008 45.121 45.100 0.049 0.000 0.680 229 G HN 0.202 nan 8.290 nan 0.000 0.514 230 V N -2.801 117.177 119.914 0.107 0.000 2.864 230 V HA 0.868 4.988 4.120 0.001 0.000 0.314 230 V C -0.113 176.069 176.094 0.147 0.000 1.073 230 V CA -1.501 60.878 62.300 0.131 0.000 0.956 230 V CB 2.073 33.998 31.823 0.170 0.000 1.023 230 V HN 0.037 nan 8.190 nan 0.000 0.435 231 D N 1.475 121.957 120.400 0.137 0.000 2.383 231 D HA 0.601 5.242 4.640 0.001 0.000 0.248 231 D C -0.001 176.402 176.300 0.171 0.000 1.170 231 D CA 0.137 54.216 54.000 0.132 0.000 0.977 231 D CB 2.012 42.884 40.800 0.120 0.000 1.120 231 D HN 0.943 nan 8.370 nan 0.000 0.481 232 V N -3.145 116.864 119.914 0.159 0.000 2.962 232 V HA 0.952 5.072 4.120 0.001 0.000 0.313 232 V C -0.983 175.216 176.094 0.174 0.000 1.099 232 V CA -0.967 61.468 62.300 0.224 0.000 0.971 232 V CB 1.571 33.527 31.823 0.221 0.000 1.028 232 V HN 0.703 nan 8.190 nan 0.000 0.430 233 A N 3.173 126.141 122.820 0.247 0.000 2.549 233 A HA 0.856 5.177 4.320 0.001 0.000 0.297 233 A C -1.055 176.678 177.584 0.249 0.000 1.061 233 A CA -0.662 51.485 52.037 0.184 0.000 0.690 233 A CB 1.583 20.702 19.000 0.198 0.000 1.287 233 A HN 0.982 nan 8.150 nan 0.000 0.402 234 I N 2.664 123.335 120.570 0.169 0.000 2.297 234 I HA 0.223 4.393 4.170 0.001 0.000 0.291 234 I C 1.486 177.657 176.117 0.091 0.000 1.033 234 I CA 0.037 61.451 61.300 0.190 0.000 1.253 234 I CB 1.563 39.672 38.000 0.181 0.000 1.396 234 I HN 0.903 nan 8.210 nan 0.000 0.476 235 T N 0.802 115.377 114.554 0.035 0.000 3.040 235 T HA 0.167 4.517 4.350 0.001 0.000 0.252 235 T C 0.831 175.470 174.700 -0.103 0.000 1.064 235 T CA 0.323 62.403 62.100 -0.033 0.000 1.110 235 T CB 0.100 68.911 68.868 -0.095 0.000 0.921 235 T HN 0.574 nan 8.240 nan 0.000 0.480 236 E N 0.867 120.916 120.200 -0.251 0.000 3.843 236 E HA 0.320 4.670 4.350 0.001 0.000 0.189 236 E C -1.055 175.347 176.600 -0.330 0.000 1.013 236 E CA -0.464 55.729 56.400 -0.345 0.000 1.395 236 E CB 0.721 29.802 29.700 -1.032 0.000 1.136 236 E HN 0.238 nan 8.360 nan 0.000 0.444 237 L N 2.951 124.119 121.223 -0.092 0.000 2.559 237 L HA 0.092 4.432 4.340 0.001 0.000 0.274 237 L C -0.699 176.292 176.870 0.202 0.000 1.205 237 L CA 0.767 55.600 54.840 -0.012 0.000 0.907 237 L CB 0.088 42.213 42.059 0.110 0.000 1.153 237 L HN 0.146 nan 8.230 nan 0.000 0.490 238 D N 4.120 124.625 120.400 0.175 0.000 2.803 238 D HA 0.468 5.109 4.640 0.001 0.000 0.218 238 D C -1.001 175.416 176.300 0.195 0.000 1.245 238 D CA -0.336 53.860 54.000 0.327 0.000 0.821 238 D CB 0.576 41.684 40.800 0.515 0.000 1.626 238 D HN 0.390 nan 8.370 nan 0.000 0.487 239 I N 0.827 121.480 120.570 0.138 0.000 2.447 239 I HA 0.231 4.401 4.170 0.001 0.000 0.287 239 I C -0.068 176.140 176.117 0.153 0.000 1.023 239 I CA -0.955 60.403 61.300 0.096 0.000 1.083 239 I CB 2.078 39.974 38.000 -0.174 0.000 1.245 239 I HN 0.386 nan 8.210 nan 0.000 0.434 240 Q N 5.166 125.054 119.800 0.147 0.000 2.264 240 Q HA 0.121 4.462 4.340 0.001 0.000 0.296 240 Q C 1.157 177.218 176.000 0.101 0.000 1.103 240 Q CA 1.482 57.351 55.803 0.110 0.000 0.967 240 Q CB 0.334 29.125 28.738 0.089 0.000 1.090 240 Q HN 1.020 nan 8.270 nan 0.000 0.379 241 G N 3.199 112.059 108.800 0.100 0.000 2.241 241 G HA2 -0.335 3.625 3.960 0.001 0.000 0.244 241 G HA3 -0.335 3.625 3.960 0.001 0.000 0.244 241 G C 0.515 175.485 174.900 0.117 0.000 0.998 241 G CA 0.168 45.319 45.100 0.085 0.000 0.621 241 G HN 1.892 nan 8.290 nan 0.000 0.519 242 A N -0.984 121.948 122.820 0.187 0.000 2.745 242 A HA 0.094 4.414 4.320 0.001 0.000 0.296 242 A C 1.331 179.072 177.584 0.263 0.000 1.500 242 A CA 1.830 54.064 52.037 0.328 0.000 0.766 242 A CB -2.019 17.157 19.000 0.293 0.000 1.030 242 A HN 2.501 nan 8.150 nan 0.000 0.489 243 S N -0.029 115.765 115.700 0.156 0.000 2.575 243 S HA 0.281 4.751 4.470 0.001 0.000 0.295 243 S C 1.549 176.239 174.600 0.150 0.000 1.267 243 S CA 0.507 58.764 58.200 0.094 0.000 1.074 243 S CB 0.484 63.705 63.200 0.036 0.000 0.829 243 S HN 1.076 nan 8.310 nan 0.000 0.497 244 S N 4.264 120.024 115.700 0.100 0.000 2.356 244 S HA -0.095 4.375 4.470 0.001 0.000 0.223 244 S C 2.202 176.869 174.600 0.113 0.000 1.032 244 S CA 1.650 59.924 58.200 0.124 0.000 1.005 244 S CB -0.470 62.795 63.200 0.109 0.000 0.867 244 S HN 0.815 nan 8.310 nan 0.000 0.449 245 S N 1.059 116.799 115.700 0.065 0.000 2.382 245 S HA -0.084 4.386 4.470 0.001 0.000 0.228 245 S C 2.103 176.683 174.600 -0.033 0.000 1.027 245 S CA 1.452 59.673 58.200 0.035 0.000 0.991 245 S CB -0.575 62.643 63.200 0.030 0.000 0.823 245 S HN 0.589 nan 8.310 nan 0.000 0.469 246 T N 0.720 115.230 114.554 -0.074 0.000 2.777 246 T HA -0.045 4.305 4.350 0.001 0.000 0.266 246 T C 1.506 176.035 174.700 -0.285 0.000 1.040 246 T CA 1.064 62.998 62.100 -0.278 0.000 1.141 246 T CB -0.407 68.308 68.868 -0.254 0.000 0.868 246 T HN 0.340 nan 8.240 nan 0.000 0.444 247 Y N 1.614 121.857 120.300 -0.095 0.000 2.181 247 Y HA -0.013 4.537 4.550 0.001 0.000 0.288 247 Y C 2.688 178.569 175.900 -0.031 0.000 1.146 247 Y CA 0.713 58.801 58.100 -0.020 0.000 1.164 247 Y CB -0.746 37.736 38.460 0.035 0.000 0.982 247 Y HN 0.202 nan 8.280 nan 0.000 0.515 248 A N -0.433 122.459 122.820 0.121 0.000 1.930 248 A HA -0.087 4.234 4.320 0.001 0.000 0.217 248 A C 2.430 180.018 177.584 0.007 0.000 1.175 248 A CA 1.625 53.698 52.037 0.059 0.000 0.627 248 A CB -1.225 17.800 19.000 0.042 0.000 0.815 248 A HN 0.413 nan 8.150 nan 0.000 0.443 249 A N -0.433 122.339 122.820 -0.080 0.000 1.877 249 A HA -0.034 4.286 4.320 0.001 0.000 0.216 249 A C 2.230 179.752 177.584 -0.103 0.000 1.186 249 A CA 1.869 53.833 52.037 -0.122 0.000 0.620 249 A CB -1.022 17.814 19.000 -0.274 0.000 0.822 249 A HN 0.397 nan 8.150 nan 0.000 0.443 250 V N -0.163 119.628 119.914 -0.206 0.000 2.343 250 V HA -0.241 3.879 4.120 0.001 0.000 0.247 250 V C 2.753 178.925 176.094 0.130 0.000 1.051 250 V CA 2.499 64.820 62.300 0.035 0.000 1.036 250 V CB -1.317 30.544 31.823 0.063 0.000 0.654 250 V HN 0.623 nan 8.190 nan 0.000 0.451 251 T N 0.255 114.888 114.554 0.132 0.000 2.720 251 T HA -0.178 4.172 4.350 0.001 0.000 0.268 251 T C 1.820 176.565 174.700 0.076 0.000 1.037 251 T CA 1.636 63.828 62.100 0.153 0.000 1.144 251 T CB -0.384 68.585 68.868 0.168 0.000 0.864 251 T HN 0.411 nan 8.240 nan 0.000 0.444 252 N N 1.178 119.905 118.700 0.045 0.000 2.309 252 N HA -0.072 4.669 4.740 0.001 0.000 0.182 252 N C 1.465 176.975 175.510 -0.000 0.000 1.018 252 N CA 0.783 53.844 53.050 0.018 0.000 0.876 252 N CB -0.308 38.187 38.487 0.014 0.000 0.972 252 N HN 0.386 nan 8.380 nan 0.000 0.434 253 D N 0.163 120.568 120.400 0.008 0.000 2.117 253 D HA -0.100 4.540 4.640 0.001 0.000 0.198 253 D C 1.996 178.227 176.300 -0.115 0.000 0.982 253 D CA 0.540 54.504 54.000 -0.059 0.000 0.828 253 D CB -0.493 40.270 40.800 -0.061 0.000 0.967 253 D HN 0.193 nan 8.370 nan 0.000 0.464 254 c N 0.513 119.071 118.600 -0.069 0.000 2.446 254 c HA -0.021 4.550 4.570 0.001 0.000 0.277 254 c C 2.768 176.820 174.090 -0.064 0.000 1.275 254 c CA 0.259 56.538 56.329 -0.082 0.000 1.727 254 c CB -1.221 41.265 42.510 -0.040 0.000 2.010 254 c HN 0.279 nan 8.230 nan 0.000 0.486 255 L N 0.978 122.181 121.223 -0.033 0.000 2.275 255 L HA -0.048 4.293 4.340 0.001 0.000 0.215 255 L C 2.708 179.556 176.870 -0.038 0.000 1.119 255 L CA 1.352 56.176 54.840 -0.027 0.000 0.790 255 L CB -0.535 41.518 42.059 -0.009 0.000 0.919 255 L HN 0.440 nan 8.230 nan 0.000 0.443 256 A N -0.826 121.963 122.820 -0.052 0.000 2.251 256 A HA 0.196 4.517 4.320 0.001 0.000 0.209 256 A C 0.737 178.279 177.584 -0.071 0.000 1.187 256 A CA 0.199 52.201 52.037 -0.058 0.000 0.823 256 A CB 0.046 19.008 19.000 -0.063 0.000 0.846 256 A HN 0.123 nan 8.150 nan 0.000 0.486 257 V N 1.308 121.174 119.914 -0.080 0.000 2.326 257 V HA 0.147 4.267 4.120 0.001 0.000 0.281 257 V C 1.448 177.511 176.094 -0.052 0.000 1.015 257 V CA 0.187 62.439 62.300 -0.079 0.000 0.823 257 V CB 0.977 32.730 31.823 -0.117 0.000 1.009 257 V HN 0.578 nan 8.190 nan 0.000 0.436 258 S N 4.583 120.262 115.700 -0.036 0.000 2.402 258 S HA -0.172 4.298 4.470 0.001 0.000 0.233 258 S C 1.546 176.140 174.600 -0.009 0.000 1.030 258 S CA 1.040 59.228 58.200 -0.020 0.000 1.003 258 S CB -0.199 62.994 63.200 -0.012 0.000 0.813 258 S HN 0.667 nan 8.310 nan 0.000 0.477 259 R N 0.075 120.572 120.500 -0.004 0.000 2.310 259 R HA 0.207 4.547 4.340 0.001 0.000 0.202 259 R C 0.324 176.634 176.300 0.016 0.000 0.933 259 R CA 0.070 56.181 56.100 0.019 0.000 1.054 259 R CB -0.901 29.424 30.300 0.041 0.000 0.985 259 R HN 0.495 nan 8.270 nan 0.000 0.489 260 c N 1.983 120.571 118.600 -0.021 0.000 2.442 260 c HA 0.206 4.776 4.570 0.001 0.000 0.362 260 c C 2.059 176.109 174.090 -0.067 0.000 1.242 260 c CA -0.610 55.694 56.329 -0.042 0.000 1.741 260 c CB -1.068 41.391 42.510 -0.085 0.000 2.378 260 c HN 0.443 nan 8.230 nan 0.000 0.549 261 L N 5.399 126.592 121.223 -0.049 0.000 2.141 261 L HA 0.221 4.561 4.340 0.001 0.000 0.209 261 L C 1.536 178.121 176.870 -0.475 0.000 1.094 261 L CA 1.204 55.995 54.840 -0.080 0.000 0.763 261 L CB -0.732 41.405 42.059 0.129 0.000 0.908 261 L HN 0.938 nan 8.230 nan 0.000 0.437 262 G N -0.698 107.693 108.800 -0.682 0.000 2.315 262 G HA2 0.387 4.347 3.960 0.001 0.000 0.294 262 G HA3 0.387 4.347 3.960 0.001 0.000 0.294 262 G C -1.792 172.708 174.900 -0.666 0.000 1.300 262 G CA -0.789 43.606 45.100 -1.175 0.000 0.843 262 G HN -0.095 nan 8.290 nan 0.000 0.527 263 I N 0.432 120.685 120.570 -0.529 0.000 2.498 263 I HA 0.541 4.711 4.170 0.001 0.000 0.290 263 I C -0.390 175.479 176.117 -0.413 0.000 1.032 263 I CA -0.667 60.426 61.300 -0.345 0.000 1.073 263 I CB 2.662 40.446 38.000 -0.361 0.000 1.251 263 I HN 0.380 nan 8.210 nan 0.000 0.426 264 T N 5.250 119.716 114.554 -0.148 0.000 2.824 264 T HA 0.488 4.839 4.350 0.001 0.000 0.282 264 T C -0.320 174.371 174.700 -0.014 0.000 0.993 264 T CA -0.549 61.502 62.100 -0.082 0.000 0.967 264 T CB 1.803 70.709 68.868 0.064 0.000 0.960 264 T HN 0.382 nan 8.240 nan 0.000 0.441 265 V N 0.885 120.827 119.914 0.047 0.000 2.617 265 V HA 0.500 4.621 4.120 0.001 0.000 0.298 265 V C 0.172 176.415 176.094 0.248 0.000 1.048 265 V CA -1.161 61.284 62.300 0.243 0.000 0.964 265 V CB 1.434 33.514 31.823 0.428 0.000 1.004 265 V HN 1.013 nan 8.190 nan 0.000 0.466 266 W N 4.744 126.092 121.300 0.080 0.000 1.395 266 W HA 0.546 5.207 4.660 0.001 0.000 0.451 266 W C 0.545 177.135 176.519 0.119 0.000 0.619 266 W CA 0.670 58.049 57.345 0.056 0.000 2.212 266 W CB -0.014 29.513 29.460 0.112 0.000 1.537 266 W HN 1.223 nan 8.180 nan 0.000 0.275 267 G N -0.056 108.680 108.800 -0.107 0.000 2.339 267 G HA2 -0.066 3.894 3.960 0.001 0.000 0.381 267 G HA3 -0.066 3.894 3.960 0.001 0.000 0.381 267 G C -0.611 174.290 174.900 0.002 0.000 1.400 267 G CA -0.638 44.414 45.100 -0.080 0.000 1.002 267 G HN 0.020 nan 8.290 nan 0.000 0.633 268 V N 0.307 120.238 119.914 0.030 0.000 2.398 268 V HA 0.312 4.433 4.120 0.001 0.000 0.236 268 V C 1.527 177.754 176.094 0.223 0.000 1.054 268 V CA 1.462 63.794 62.300 0.053 0.000 1.060 268 V CB -0.429 31.242 31.823 -0.254 0.000 0.707 268 V HN 0.681 nan 8.190 nan 0.000 0.480 269 R N 0.481 121.098 120.500 0.194 0.000 2.720 269 R HA 0.299 4.640 4.340 0.001 0.000 0.272 269 R C 0.646 177.072 176.300 0.211 0.000 0.991 269 R CA -0.657 55.582 56.100 0.232 0.000 1.010 269 R CB 0.830 31.236 30.300 0.176 0.000 1.141 269 R HN 0.158 nan 8.270 nan 0.000 0.494 270 D N 0.626 121.143 120.400 0.195 0.000 2.158 270 D HA -0.161 4.479 4.640 0.001 0.000 0.197 270 D C 1.647 178.027 176.300 0.134 0.000 0.995 270 D CA 2.104 56.202 54.000 0.163 0.000 0.846 270 D CB -0.154 40.723 40.800 0.128 0.000 0.941 270 D HN 0.687 nan 8.370 nan 0.000 0.456 271 T N -1.758 112.866 114.554 0.116 0.000 3.007 271 T HA -0.087 4.264 4.350 0.001 0.000 0.270 271 T C 1.102 175.856 174.700 0.090 0.000 1.107 271 T CA 0.739 62.892 62.100 0.089 0.000 1.118 271 T CB 0.051 68.962 68.868 0.071 0.000 0.889 271 T HN -0.009 nan 8.240 nan 0.000 0.506 272 D N 1.197 121.670 120.400 0.122 0.000 2.350 272 D HA 0.144 4.784 4.640 0.001 0.000 0.213 272 D C 0.789 177.171 176.300 0.137 0.000 1.031 272 D CA 0.126 54.193 54.000 0.112 0.000 0.861 272 D CB 0.206 41.111 40.800 0.176 0.000 0.926 272 D HN 0.419 nan 8.370 nan 0.000 0.520 273 S N 1.209 117.018 115.700 0.182 0.000 2.564 273 S HA 0.029 4.499 4.470 0.001 0.000 0.278 273 S C 1.360 176.142 174.600 0.304 0.000 1.333 273 S CA -0.820 57.550 58.200 0.284 0.000 1.048 273 S CB 0.564 63.925 63.200 0.269 0.000 0.900 273 S HN 0.334 nan 8.310 nan 0.000 0.505 274 W N 5.106 126.487 121.300 0.136 0.000 2.611 274 W HA 0.110 4.770 4.660 0.001 0.000 0.251 274 W C 0.305 176.877 176.519 0.089 0.000 1.265 274 W CA 0.116 57.534 57.345 0.122 0.000 1.295 274 W CB -0.718 28.858 29.460 0.194 0.000 1.129 274 W HN 0.624 nan 8.180 nan 0.000 0.630 275 R N 1.449 121.752 120.500 -0.329 0.000 2.701 275 R HA 0.077 4.417 4.340 0.001 0.000 0.281 275 R C 1.648 177.869 176.300 -0.131 0.000 1.367 275 R CA 0.497 56.344 56.100 -0.422 0.000 1.510 275 R CB 0.447 30.270 30.300 -0.794 0.000 1.306 275 R HN 0.049 nan 8.270 nan 0.000 0.682 276 S N -0.971 114.713 115.700 -0.027 0.000 2.402 276 S HA -0.157 4.314 4.470 0.001 0.000 0.233 276 S C 1.980 176.587 174.600 0.011 0.000 1.030 276 S CA 1.410 59.627 58.200 0.028 0.000 1.003 276 S CB -0.182 63.044 63.200 0.043 0.000 0.813 276 S HN 0.558 nan 8.310 nan 0.000 0.477 277 G N 1.288 110.074 108.800 -0.024 0.000 2.498 277 G HA2 -0.116 3.844 3.960 0.001 0.000 0.219 277 G HA3 -0.116 3.844 3.960 0.001 0.000 0.219 277 G C 0.874 175.768 174.900 -0.010 0.000 1.119 277 G CA 0.860 45.950 45.100 -0.017 0.000 0.766 277 G HN 0.533 nan 8.290 nan 0.000 0.552 278 D N 0.493 120.882 120.400 -0.019 0.000 2.340 278 D HA 0.052 4.693 4.640 0.001 0.000 0.217 278 D C 1.446 177.780 176.300 0.057 0.000 1.081 278 D CA 0.908 54.913 54.000 0.008 0.000 0.842 278 D CB -0.252 40.539 40.800 -0.014 0.000 0.934 278 D HN 0.345 nan 8.370 nan 0.000 0.511 279 T N -0.188 114.404 114.554 0.064 0.000 3.318 279 T HA -0.160 4.190 4.350 0.001 0.000 0.413 279 T C -1.674 173.113 174.700 0.145 0.000 0.771 279 T CA 0.170 62.327 62.100 0.095 0.000 2.056 279 T CB -1.006 67.903 68.868 0.069 0.000 1.684 279 T HN 0.171 nan 8.240 nan 0.000 0.610 280 P HA 0.331 nan 4.420 nan 0.000 0.261 280 P C 0.668 178.214 177.300 0.410 0.000 1.268 280 P CA -0.258 63.008 63.100 0.276 0.000 0.833 280 P CB 0.414 32.264 31.700 0.250 0.000 1.231 281 L N -0.935 120.492 121.223 0.340 0.000 2.578 281 L HA 0.377 4.717 4.340 0.001 0.000 0.259 281 L C 1.952 178.934 176.870 0.186 0.000 1.082 281 L CA -1.055 53.998 54.840 0.354 0.000 0.843 281 L CB 0.456 42.718 42.059 0.338 0.000 1.535 281 L HN -0.284 nan 8.230 nan 0.000 0.510 282 L N -0.688 120.620 121.223 0.141 0.000 2.529 282 L HA 0.214 4.554 4.340 0.001 0.000 0.223 282 L C -0.538 176.167 176.870 -0.275 0.000 1.113 282 L CA 0.304 55.076 54.840 -0.112 0.000 0.861 282 L CB 0.113 42.097 42.059 -0.125 0.000 1.012 282 L HN 0.225 nan 8.230 nan 0.000 0.461 283 F N -0.608 119.394 119.950 0.086 0.000 2.532 283 F HA 0.376 4.903 4.527 0.001 0.000 0.321 283 F C 0.499 176.321 175.800 0.036 0.000 1.089 283 F CA -1.051 56.968 58.000 0.032 0.000 0.926 283 F CB 1.038 40.057 39.000 0.031 0.000 1.168 283 F HN -0.167 nan 8.300 nan 0.000 0.459 284 N N 0.595 119.394 118.700 0.166 0.000 2.381 284 N HA 0.131 4.871 4.740 0.001 0.000 0.254 284 N C 1.200 176.782 175.510 0.120 0.000 1.264 284 N CA 0.474 53.585 53.050 0.103 0.000 0.942 284 N CB 0.993 39.501 38.487 0.036 0.000 1.190 284 N HN 0.886 nan 8.380 nan 0.000 0.495 285 G N 0.174 109.025 108.800 0.085 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 0.718 175.656 174.900 0.063 0.000 1.130 285 G CA 1.005 46.151 45.100 0.077 0.000 0.760 285 G HN 0.721 nan 8.290 nan 0.000 0.557 286 D N -0.763 119.666 120.400 0.049 0.000 2.349 286 D HA 0.238 4.878 4.640 0.001 0.000 0.224 286 D C 1.710 178.034 176.300 0.040 0.000 1.029 286 D CA 0.667 54.688 54.000 0.034 0.000 0.879 286 D CB -0.521 40.288 40.800 0.016 0.000 0.906 286 D HN 0.498 nan 8.370 nan 0.000 0.528 287 G N 0.064 108.907 108.800 0.073 0.000 2.176 287 G HA2 -0.289 3.671 3.960 0.001 0.000 0.253 287 G HA3 -0.289 3.671 3.960 0.001 0.000 0.253 287 G C 0.389 175.383 174.900 0.156 0.000 0.979 287 G CA 0.349 45.502 45.100 0.088 0.000 0.641 287 G HN 0.834 nan 8.290 nan 0.000 0.530 288 S N 0.027 115.783 115.700 0.093 0.000 2.580 288 S HA 0.585 5.056 4.470 0.001 0.000 0.274 288 S C 0.282 174.870 174.600 -0.019 0.000 1.329 288 S CA -0.214 58.002 58.200 0.028 0.000 1.036 288 S CB 1.567 64.745 63.200 -0.037 0.000 0.919 288 S HN 0.458 nan 8.310 nan 0.000 0.515 289 K N 2.036 122.320 120.400 -0.193 0.000 2.368 289 K HA 0.179 4.499 4.320 0.001 0.000 0.282 289 K C 0.208 176.622 176.600 -0.310 0.000 1.035 289 K CA -0.039 55.924 56.287 -0.541 0.000 0.973 289 K CB 0.510 32.573 32.500 -0.729 0.000 0.957 289 K HN 0.562 nan 8.250 nan 0.000 0.474 290 K N 0.860 121.080 120.400 -0.299 0.000 2.098 290 K HA 0.203 4.524 4.320 0.001 0.000 0.244 290 K C 1.178 177.730 176.600 -0.080 0.000 1.014 290 K CA -0.319 55.877 56.287 -0.151 0.000 0.917 290 K CB 0.875 33.303 32.500 -0.119 0.000 1.072 290 K HN 0.624 nan 8.250 nan 0.000 0.477 291 A N 1.093 123.893 122.820 -0.033 0.000 1.908 291 A HA -0.228 4.093 4.320 0.001 0.000 0.218 291 A C 2.162 179.771 177.584 0.042 0.000 1.181 291 A CA 2.334 54.402 52.037 0.053 0.000 0.627 291 A CB -1.002 18.042 19.000 0.073 0.000 0.818 291 A HN 0.788 nan 8.150 nan 0.000 0.445 292 A N -1.604 121.205 122.820 -0.019 0.000 1.972 292 A HA -0.099 4.221 4.320 0.001 0.000 0.219 292 A C 2.072 179.537 177.584 -0.198 0.000 1.169 292 A CA 1.629 53.620 52.037 -0.077 0.000 0.635 292 A CB -0.773 18.148 19.000 -0.132 0.000 0.810 292 A HN 0.786 nan 8.150 nan 0.000 0.446 293 Y N 1.213 121.313 120.300 -0.334 0.000 2.128 293 Y HA -0.226 4.324 4.550 0.001 0.000 0.284 293 Y C 2.565 178.303 175.900 -0.270 0.000 1.154 293 Y CA 2.505 60.364 58.100 -0.401 0.000 1.149 293 Y CB -0.733 37.390 38.460 -0.561 0.000 0.976 293 Y HN 0.285 nan 8.280 nan 0.000 0.505 294 T N 0.757 115.301 114.554 -0.018 0.000 2.867 294 T HA -0.128 4.223 4.350 0.001 0.000 0.268 294 T C 2.070 176.701 174.700 -0.115 0.000 1.057 294 T CA 1.149 63.222 62.100 -0.045 0.000 1.136 294 T CB -0.667 68.238 68.868 0.062 0.000 0.874 294 T HN 0.516 nan 8.240 nan 0.000 0.466 295 A N 0.911 123.689 122.820 -0.071 0.000 1.902 295 A HA -0.027 4.293 4.320 0.001 0.000 0.217 295 A C 2.544 180.073 177.584 -0.093 0.000 1.181 295 A CA 1.214 53.231 52.037 -0.032 0.000 0.623 295 A CB -0.867 18.160 19.000 0.046 0.000 0.818 295 A HN 0.364 nan 8.150 nan 0.000 0.443 296 V N -0.443 119.356 119.914 -0.191 0.000 2.323 296 V HA -0.194 3.927 4.120 0.001 0.000 0.244 296 V C 2.464 178.371 176.094 -0.313 0.000 1.041 296 V CA 1.804 63.969 62.300 -0.225 0.000 1.025 296 V CB -0.740 30.873 31.823 -0.351 0.000 0.656 296 V HN 0.566 nan 8.190 nan 0.000 0.451 297 L N 0.922 121.865 121.223 -0.466 0.000 2.042 297 L HA -0.165 4.175 4.340 0.001 0.000 0.210 297 L C 2.223 178.968 176.870 -0.207 0.000 1.076 297 L CA 1.993 56.589 54.840 -0.406 0.000 0.749 297 L CB -0.910 40.868 42.059 -0.468 0.000 0.893 297 L HN 0.320 nan 8.230 nan 0.000 0.432 298 N N -0.009 118.599 118.700 -0.152 0.000 2.166 298 N HA -0.132 4.609 4.740 0.001 0.000 0.186 298 N C 1.819 177.288 175.510 -0.069 0.000 1.019 298 N CA 1.498 54.496 53.050 -0.087 0.000 0.856 298 N CB -0.488 37.962 38.487 -0.061 0.000 0.993 298 N HN 0.527 nan 8.380 nan 0.000 0.426 299 A N 1.233 124.012 122.820 -0.069 0.000 1.873 299 A HA -0.028 4.293 4.320 0.001 0.000 0.215 299 A C 2.353 179.915 177.584 -0.037 0.000 1.186 299 A CA 0.862 52.877 52.037 -0.038 0.000 0.616 299 A CB -0.744 18.247 19.000 -0.016 0.000 0.823 299 A HN 0.210 nan 8.150 nan 0.000 0.442 300 L N -0.175 121.011 121.223 -0.062 0.000 2.131 300 L HA -0.155 4.186 4.340 0.001 0.000 0.210 300 L C 1.559 178.404 176.870 -0.042 0.000 1.092 300 L CA 0.933 55.746 54.840 -0.046 0.000 0.759 300 L CB -0.517 41.493 42.059 -0.082 0.000 0.903 300 L HN 0.353 nan 8.230 nan 0.000 0.435 301 N N -0.115 118.551 118.700 -0.056 0.000 2.461 301 N HA 0.016 4.756 4.740 0.001 0.000 0.188 301 N C 1.337 176.829 175.510 -0.030 0.000 1.134 301 N CA 1.024 54.049 53.050 -0.042 0.000 0.878 301 N CB 0.929 39.387 38.487 -0.049 0.000 0.972 301 N HN 0.454 nan 8.380 nan 0.000 0.456 302 G N -0.847 107.937 108.800 -0.027 0.000 2.231 302 G HA2 -0.107 3.854 3.960 0.001 0.000 0.206 302 G HA3 -0.107 3.854 3.960 0.001 0.000 0.206 302 G C 0.521 175.410 174.900 -0.019 0.000 0.996 302 G CA 0.192 45.280 45.100 -0.020 0.000 0.645 302 G HN 0.676 nan 8.290 nan 0.000 0.498 314 Q N -0.815 119.038 119.800 0.089 0.000 2.260 314 Q HA 0.607 4.947 4.340 0.001 0.000 0.242 314 Q C -0.450 175.621 176.000 0.119 0.000 0.932 314 Q CA -0.179 55.706 55.803 0.136 0.000 0.891 314 Q CB 2.138 30.931 28.738 0.092 0.000 1.222 314 Q HN 0.399 nan 8.270 nan 0.000 0.453 315 I N 1.982 122.621 120.570 0.115 0.000 2.420 315 I HA 0.278 4.449 4.170 0.001 0.000 0.282 315 I C -0.491 175.718 176.117 0.153 0.000 1.019 315 I CA -0.470 60.847 61.300 0.028 0.000 1.130 315 I CB 1.252 39.094 38.000 -0.263 0.000 1.262 315 I HN 0.372 nan 8.210 nan 0.000 0.454 316 K N 4.765 125.285 120.400 0.199 0.000 2.185 316 K HA 0.576 4.897 4.320 0.001 0.000 0.269 316 K C 0.205 176.942 176.600 0.229 0.000 0.987 316 K CA -0.484 55.928 56.287 0.209 0.000 0.865 316 K CB 1.595 34.157 32.500 0.104 0.000 1.090 316 K HN 0.697 nan 8.250 nan 0.000 0.450 317 G N 2.204 111.081 108.800 0.128 0.000 2.378 317 G HA2 0.119 4.079 3.960 0.001 0.000 0.255 317 G HA3 0.119 4.079 3.960 0.001 0.000 0.255 317 G C 0.896 175.635 174.900 -0.268 0.000 1.270 317 G CA -0.674 44.216 45.100 -0.350 0.000 0.876 317 G HN 0.508 nan 8.290 nan 0.000 0.521 318 V N 3.536 123.242 119.914 -0.348 0.000 2.307 318 V HA -0.114 4.006 4.120 0.001 0.000 0.245 318 V C 2.953 178.931 176.094 -0.193 0.000 1.045 318 V CA 2.504 64.674 62.300 -0.217 0.000 1.024 318 V CB -0.851 30.846 31.823 -0.210 0.000 0.651 318 V HN 0.794 nan 8.190 nan 0.000 0.449 319 G N -0.332 108.319 108.800 -0.247 0.000 2.443 319 G HA2 -0.192 3.769 3.960 0.001 0.000 0.219 319 G HA3 -0.192 3.769 3.960 0.001 0.000 0.219 319 G C 1.767 176.580 174.900 -0.146 0.000 1.131 319 G CA 1.283 46.273 45.100 -0.184 0.000 0.775 319 G HN 0.648 nan 8.290 nan 0.000 0.547 320 S N -1.396 114.209 115.700 -0.158 0.000 2.497 320 S HA 0.368 4.838 4.470 0.001 0.000 0.221 320 S C 1.943 176.498 174.600 -0.074 0.000 1.037 320 S CA 1.110 59.248 58.200 -0.104 0.000 0.920 320 S CB 0.127 63.272 63.200 -0.092 0.000 0.800 320 S HN 1.460 nan 8.310 nan 0.000 0.505 321 G N 1.541 110.297 108.800 -0.072 0.000 2.162 321 G HA2 -0.258 3.703 3.960 0.001 0.000 0.260 321 G HA3 -0.258 3.703 3.960 0.001 0.000 0.260 321 G C 0.096 174.993 174.900 -0.006 0.000 0.976 321 G CA 0.283 45.360 45.100 -0.038 0.000 0.655 321 G HN 0.612 nan 8.290 nan 0.000 0.533 322 R N -1.126 119.378 120.500 0.006 0.000 2.720 322 R HA 0.647 4.988 4.340 0.001 0.000 0.272 322 R C -0.059 176.321 176.300 0.133 0.000 0.991 322 R CA -0.429 55.703 56.100 0.053 0.000 1.010 322 R CB 1.351 31.668 30.300 0.028 0.000 1.141 322 R HN 0.200 nan 8.270 nan 0.000 0.494 323 c N 1.697 120.400 118.600 0.172 0.000 2.364 323 c HA 0.292 4.862 4.570 0.001 0.000 0.356 323 c C 0.035 174.265 174.090 0.233 0.000 1.201 323 c CA -0.722 55.733 56.329 0.209 0.000 2.227 323 c CB 0.548 43.170 42.510 0.186 0.000 2.387 323 c HN 0.596 nan 8.230 nan 0.000 0.546 324 L N 3.992 125.317 121.223 0.171 0.000 2.500 324 L HA 0.243 4.583 4.340 0.001 0.000 0.272 324 L C 0.039 177.100 176.870 0.319 0.000 1.149 324 L CA 1.234 56.111 54.840 0.062 0.000 0.897 324 L CB -0.308 41.493 42.059 -0.430 0.000 1.178 324 L HN 0.677 nan 8.230 nan 0.000 0.473 325 D N 3.938 124.506 120.400 0.281 0.000 2.780 325 D HA 0.259 4.899 4.640 0.001 0.000 0.242 325 D C -1.360 175.075 176.300 0.226 0.000 1.135 325 D CA -0.441 53.720 54.000 0.267 0.000 0.859 325 D CB 2.363 43.317 40.800 0.257 0.000 1.530 325 D HN 0.232 nan 8.370 nan 0.000 0.493 326 V N 4.619 124.631 119.914 0.163 0.000 2.368 326 V HA 0.263 4.383 4.120 0.001 0.000 0.266 326 V C -2.039 174.115 176.094 0.100 0.000 1.045 326 V CA -1.570 60.819 62.300 0.149 0.000 0.899 326 V CB 0.984 32.881 31.823 0.122 0.000 1.006 326 V HN 0.482 nan 8.190 nan 0.000 0.470 327 P HA -0.060 nan 4.420 nan 0.000 0.257 327 P C 0.528 177.838 177.300 0.016 0.000 1.153 327 P CA 0.721 63.837 63.100 0.026 0.000 0.762 327 P CB 0.008 31.736 31.700 0.046 0.000 0.743 328 N N 2.848 121.528 118.700 -0.033 0.000 2.681 328 N HA -0.295 4.446 4.740 0.001 0.000 0.250 328 N C 0.414 175.931 175.510 0.013 0.000 1.133 328 N CA 1.360 54.396 53.050 -0.023 0.000 0.732 328 N CB -1.669 36.806 38.487 -0.019 0.000 1.107 328 N HN 0.713 nan 8.380 nan 0.000 0.559 329 A N -1.354 121.501 122.820 0.058 0.000 2.832 329 A HA -0.261 4.060 4.320 0.001 0.000 0.280 329 A C 0.776 178.393 177.584 0.054 0.000 1.464 329 A CA 1.473 53.588 52.037 0.129 0.000 0.804 329 A CB -1.880 17.171 19.000 0.084 0.000 1.020 329 A HN 0.916 nan 8.150 nan 0.000 0.563 330 S N -0.560 115.177 115.700 0.061 0.000 2.579 330 S HA 0.479 4.949 4.470 0.001 0.000 0.275 330 S C 1.391 175.967 174.600 -0.041 0.000 1.345 330 S CA 0.836 59.033 58.200 -0.004 0.000 1.031 330 S CB 0.605 63.826 63.200 0.035 0.000 0.892 330 S HN 1.565 nan 8.310 nan 0.000 0.529 331 T N 0.245 114.710 114.554 -0.149 0.000 3.132 331 T HA 0.248 4.598 4.350 0.001 0.000 0.274 331 T C 0.219 174.894 174.700 -0.040 0.000 1.011 331 T CA -0.397 61.588 62.100 -0.191 0.000 0.899 331 T CB -0.272 68.367 68.868 -0.381 0.000 1.089 331 T HN 0.495 nan 8.240 nan 0.000 0.543 332 T N 3.755 118.310 114.554 0.001 0.000 2.814 332 T HA 0.202 4.552 4.350 0.001 0.000 0.297 332 T C -0.136 174.611 174.700 0.077 0.000 0.956 332 T CA -0.336 61.780 62.100 0.026 0.000 1.123 332 T CB 0.466 69.350 68.868 0.028 0.000 0.902 332 T HN 0.289 nan 8.240 nan 0.000 0.528 333 D N 2.086 122.531 120.400 0.075 0.000 2.488 333 D HA 0.304 4.945 4.640 0.001 0.000 0.238 333 D C 1.421 177.837 176.300 0.194 0.000 1.138 333 D CA 1.191 55.285 54.000 0.157 0.000 0.873 333 D CB 0.762 41.635 40.800 0.121 0.000 1.183 333 D HN 0.889 nan 8.370 nan 0.000 0.458 334 G N 1.832 110.777 108.800 0.241 0.000 2.176 334 G HA2 -0.258 3.703 3.960 0.001 0.000 0.232 334 G HA3 -0.258 3.703 3.960 0.001 0.000 0.232 334 G C 0.494 175.478 174.900 0.140 0.000 0.986 334 G CA 0.143 45.349 45.100 0.177 0.000 0.643 334 G HN 0.556 nan 8.290 nan 0.000 0.522 335 T N 1.693 116.334 114.554 0.145 0.000 2.769 335 T HA 0.416 4.766 4.350 0.001 0.000 0.293 335 T C 0.442 175.223 174.700 0.135 0.000 0.931 335 T CA 0.361 62.537 62.100 0.127 0.000 1.139 335 T CB 1.395 70.340 68.868 0.127 0.000 0.881 335 T HN 0.541 nan 8.240 nan 0.000 0.532 336 Q N 3.289 123.156 119.800 0.112 0.000 2.332 336 Q HA 0.340 4.681 4.340 0.001 0.000 0.263 336 Q C 0.160 176.226 176.000 0.109 0.000 0.979 336 Q CA -0.731 55.135 55.803 0.106 0.000 0.885 336 Q CB 0.617 29.409 28.738 0.089 0.000 1.218 336 Q HN 0.642 nan 8.270 nan 0.000 0.405 337 V N 1.523 121.498 119.914 0.101 0.000 2.953 337 V HA 0.422 4.543 4.120 0.001 0.000 0.304 337 V C -0.352 175.796 176.094 0.091 0.000 1.073 337 V CA -0.389 61.974 62.300 0.105 0.000 1.064 337 V CB 1.159 33.018 31.823 0.061 0.000 1.047 337 V HN 1.001 nan 8.190 nan 0.000 0.478 338 Q N 2.261 122.132 119.800 0.119 0.000 2.687 338 Q HA 0.704 5.045 4.340 0.001 0.000 0.305 338 Q C -1.555 174.552 176.000 0.178 0.000 1.006 338 Q CA -1.153 54.734 55.803 0.140 0.000 0.763 338 Q CB 2.269 31.101 28.738 0.157 0.000 1.506 338 Q HN 0.689 nan 8.270 nan 0.000 0.459 339 L N 1.020 122.361 121.223 0.197 0.000 2.325 339 L HA 0.652 4.993 4.340 0.001 0.000 0.279 339 L C -1.269 175.766 176.870 0.274 0.000 1.054 339 L CA -0.841 54.127 54.840 0.213 0.000 0.804 339 L CB 1.128 43.278 42.059 0.152 0.000 1.200 339 L HN 0.656 nan 8.230 nan 0.000 0.436 340 Y N 0.650 121.023 120.300 0.122 0.000 2.558 340 Y HA 0.185 4.735 4.550 0.001 0.000 0.333 340 Y C -0.716 175.263 175.900 0.130 0.000 1.125 340 Y CA -1.161 57.010 58.100 0.118 0.000 1.039 340 Y CB 1.592 40.138 38.460 0.143 0.000 1.331 340 Y HN 0.552 nan 8.280 nan 0.000 0.456 341 D N 2.718 122.904 120.400 -0.357 0.000 2.583 341 D HA -0.025 4.615 4.640 0.001 0.000 0.232 341 D C -0.208 176.235 176.300 0.239 0.000 1.128 341 D CA 0.838 54.783 54.000 -0.092 0.000 0.859 341 D CB 0.422 41.095 40.800 -0.212 0.000 1.169 341 D HN 0.469 nan 8.370 nan 0.000 0.481 342 c N 4.720 123.432 118.600 0.187 0.000 2.632 342 c HA 0.270 4.841 4.570 0.001 0.000 0.415 342 c C 0.616 174.881 174.090 0.291 0.000 1.332 342 c CA -0.261 56.202 56.329 0.224 0.000 1.874 342 c CB -0.867 41.718 42.510 0.125 0.000 2.596 342 c HN 0.696 nan 8.230 nan 0.000 0.590 343 H N -0.851 118.279 119.070 0.099 0.000 3.014 343 H HA 0.321 4.877 4.556 0.001 0.000 0.337 343 H C -1.230 174.133 175.328 0.058 0.000 1.320 343 H CA -0.736 55.358 56.048 0.076 0.000 1.128 343 H CB 0.546 30.363 29.762 0.091 0.000 1.862 343 H HN 0.400 nan 8.280 nan 0.000 0.536 344 S N 0.591 116.305 115.700 0.024 0.000 2.503 344 S HA 0.567 5.038 4.470 0.001 0.000 0.317 344 S C -0.066 174.475 174.600 -0.097 0.000 1.162 344 S CA 0.188 58.359 58.200 -0.049 0.000 1.124 344 S CB -0.832 62.377 63.200 0.015 0.000 1.207 344 S HN 0.786 nan 8.310 nan 0.000 0.538 345 A N 2.293 124.973 122.820 -0.233 0.000 2.574 345 A HA 0.625 4.945 4.320 0.001 0.000 0.297 345 A C 0.854 178.334 177.584 -0.174 0.000 1.062 345 A CA -0.619 51.308 52.037 -0.182 0.000 0.686 345 A CB 0.843 19.681 19.000 -0.270 0.000 1.285 345 A HN 0.433 nan 8.150 nan 0.000 0.403 346 T N 0.607 115.104 114.554 -0.095 0.000 2.849 346 T HA -0.142 4.208 4.350 0.001 0.000 0.270 346 T C 1.382 175.917 174.700 -0.274 0.000 1.066 346 T CA 2.123 64.152 62.100 -0.118 0.000 1.130 346 T CB -0.606 68.279 68.868 0.029 0.000 0.864 346 T HN 0.797 nan 8.240 nan 0.000 0.481 347 N N 0.440 119.033 118.700 -0.180 0.000 2.515 347 N HA -0.015 4.726 4.740 0.001 0.000 0.191 347 N C 1.151 176.446 175.510 -0.359 0.000 1.182 347 N CA 0.360 53.231 53.050 -0.299 0.000 0.879 347 N CB -0.146 38.338 38.487 -0.005 0.000 0.984 347 N HN 0.544 nan 8.380 nan 0.000 0.453 348 Q N -0.719 118.869 119.800 -0.354 0.000 2.113 348 Q HA 0.178 4.518 4.340 0.001 0.000 0.225 348 Q C -0.577 175.275 176.000 -0.248 0.000 0.786 348 Q CA -0.199 55.493 55.803 -0.185 0.000 0.989 348 Q CB 0.819 29.493 28.738 -0.105 0.000 1.174 348 Q HN 0.251 nan 8.270 nan 0.000 0.470 349 Q N 0.210 119.725 119.800 -0.474 0.000 2.390 349 Q HA 0.172 4.513 4.340 0.001 0.000 0.249 349 Q C -1.245 174.447 176.000 -0.512 0.000 0.996 349 Q CA 0.234 55.837 55.803 -0.334 0.000 0.899 349 Q CB 0.343 28.940 28.738 -0.236 0.000 1.216 349 Q HN 0.116 nan 8.270 nan 0.000 0.465 350 W N 1.238 122.468 121.300 -0.118 0.000 2.551 350 W HA 0.417 5.077 4.660 0.001 0.000 0.330 350 W C 0.116 176.604 176.519 -0.052 0.000 1.063 350 W CA -0.537 56.741 57.345 -0.111 0.000 1.222 350 W CB 1.506 30.881 29.460 -0.142 0.000 1.349 350 W HN 0.158 nan 8.180 nan 0.000 0.536 351 T N 2.813 117.477 114.554 0.184 0.000 2.786 351 T HA 0.173 4.524 4.350 0.001 0.000 0.283 351 T C -1.482 173.340 174.700 0.204 0.000 0.992 351 T CA -0.496 61.691 62.100 0.146 0.000 0.954 351 T CB 0.372 69.280 68.868 0.067 0.000 0.934 351 T HN 0.175 nan 8.240 nan 0.000 0.440 352 Y N 4.197 124.536 120.300 0.065 0.000 2.365 352 Y HA 0.427 4.978 4.550 0.001 0.000 0.340 352 Y C 0.917 176.851 175.900 0.056 0.000 1.016 352 Y CA -0.738 57.398 58.100 0.059 0.000 1.196 352 Y CB 0.382 38.865 38.460 0.038 0.000 1.167 352 Y HN 0.720 nan 8.280 nan 0.000 0.509 353 T N 0.918 115.275 114.554 -0.328 0.000 2.912 353 T HA 0.208 4.559 4.350 0.001 0.000 0.280 353 T C 0.721 175.188 174.700 -0.390 0.000 0.989 353 T CA -0.714 61.236 62.100 -0.250 0.000 0.995 353 T CB 1.076 69.862 68.868 -0.137 0.000 1.077 353 T HN 0.578 nan 8.240 nan 0.000 0.531 354 D N 0.660 120.950 120.400 -0.182 0.000 2.218 354 D HA -0.025 4.615 4.640 0.001 0.000 0.204 354 D C 2.074 178.290 176.300 -0.140 0.000 0.976 354 D CA 1.304 55.228 54.000 -0.128 0.000 0.853 354 D CB -0.428 40.349 40.800 -0.039 0.000 0.939 354 D HN 0.752 nan 8.370 nan 0.000 0.481 355 A N -0.250 122.478 122.820 -0.154 0.000 2.167 355 A HA 0.336 4.657 4.320 0.001 0.000 0.214 355 A C 1.796 179.278 177.584 -0.170 0.000 1.151 355 A CA 1.247 53.211 52.037 -0.121 0.000 0.735 355 A CB -0.056 18.889 19.000 -0.093 0.000 0.802 355 A HN 0.264 nan 8.150 nan 0.000 0.467 356 G N -0.732 107.863 108.800 -0.342 0.000 2.144 356 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 356 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 356 G C -0.196 174.646 174.900 -0.097 0.000 0.988 356 G CA 0.193 45.097 45.100 -0.327 0.000 0.659 356 G HN 0.612 nan 8.290 nan 0.000 0.522 357 E N -0.635 119.490 120.200 -0.124 0.000 2.314 357 E HA 0.689 5.040 4.350 0.001 0.000 0.262 357 E C 0.102 176.826 176.600 0.206 0.000 1.093 357 E CA -0.581 55.895 56.400 0.127 0.000 0.908 357 E CB 1.352 31.091 29.700 0.065 0.000 1.091 357 E HN 0.198 nan 8.360 nan 0.000 0.425 358 L N 2.457 123.859 121.223 0.298 0.000 2.366 358 L HA 0.369 4.710 4.340 0.001 0.000 0.266 358 L C -0.221 176.859 176.870 0.348 0.000 1.010 358 L CA -0.357 54.637 54.840 0.256 0.000 0.879 358 L CB 0.684 42.707 42.059 -0.060 0.000 1.228 358 L HN 0.300 nan 8.230 nan 0.000 0.439 359 R N 1.839 122.495 120.500 0.260 0.000 2.457 359 R HA 0.679 5.019 4.340 0.001 0.000 0.284 359 R C -0.867 175.420 176.300 -0.021 0.000 1.024 359 R CA -0.592 55.599 56.100 0.152 0.000 1.025 359 R CB 2.651 32.996 30.300 0.074 0.000 1.063 359 R HN 0.262 nan 8.270 nan 0.000 0.493 360 V N 3.453 123.224 119.914 -0.238 0.000 2.841 360 V HA 0.224 4.345 4.120 0.001 0.000 0.310 360 V C -1.017 174.824 176.094 -0.422 0.000 1.090 360 V CA -0.415 61.458 62.300 -0.713 0.000 0.930 360 V CB 1.267 32.190 31.823 -1.500 0.000 1.014 360 V HN 0.921 nan 8.190 nan 0.000 0.425 361 Y N 4.051 124.214 120.300 -0.228 0.000 4.916 361 Y HA -0.233 4.317 4.550 0.001 0.000 0.247 361 Y C 1.698 177.546 175.900 -0.086 0.000 0.962 361 Y CA 1.636 59.651 58.100 -0.141 0.000 1.933 361 Y CB -1.938 36.450 38.460 -0.121 0.000 1.451 361 Y HN 1.738 nan 8.280 nan 0.000 0.539 362 G N -0.771 108.049 108.800 0.033 0.000 2.420 362 G HA2 -0.350 3.610 3.960 0.001 0.000 0.221 362 G HA3 -0.350 3.610 3.960 0.001 0.000 0.221 362 G C 0.476 175.403 174.900 0.045 0.000 1.117 362 G CA 0.581 45.700 45.100 0.031 0.000 0.657 362 G HN 0.477 nan 8.290 nan 0.000 0.512 363 D N 0.379 120.821 120.400 0.069 0.000 2.620 363 D HA 0.303 4.943 4.640 0.001 0.000 0.260 363 D C 0.187 176.542 176.300 0.092 0.000 1.367 363 D CA -0.023 54.018 54.000 0.068 0.000 0.805 363 D CB 0.167 40.995 40.800 0.047 0.000 1.096 363 D HN 0.208 nan 8.370 nan 0.000 0.488 364 K N -0.001 120.470 120.400 0.119 0.000 2.203 364 K HA 0.538 4.859 4.320 0.001 0.000 0.251 364 K C -0.815 175.888 176.600 0.170 0.000 0.944 364 K CA -0.553 55.828 56.287 0.157 0.000 0.829 364 K CB 1.868 34.508 32.500 0.234 0.000 1.125 364 K HN -0.026 nan 8.250 nan 0.000 0.430 365 c N 2.079 120.822 118.600 0.240 0.000 2.507 365 c HA 0.356 4.927 4.570 0.001 0.000 0.319 365 c C -0.223 174.082 174.090 0.357 0.000 1.208 365 c CA -0.992 55.510 56.329 0.289 0.000 1.619 365 c CB 1.085 43.751 42.510 0.261 0.000 2.230 365 c HN 0.752 nan 8.230 nan 0.000 0.492 366 L N 4.200 125.644 121.223 0.369 0.000 2.534 366 L HA 0.243 4.583 4.340 0.001 0.000 0.271 366 L C 0.073 177.216 176.870 0.454 0.000 1.178 366 L CA 1.417 56.406 54.840 0.248 0.000 0.907 366 L CB -0.087 41.831 42.059 -0.234 0.000 1.164 366 L HN 0.667 nan 8.230 nan 0.000 0.482 367 D N 4.288 124.918 120.400 0.385 0.000 2.646 367 D HA 0.551 5.191 4.640 0.001 0.000 0.245 367 D C -1.430 175.055 176.300 0.308 0.000 1.099 367 D CA -0.487 53.731 54.000 0.362 0.000 0.849 367 D CB 2.165 43.154 40.800 0.316 0.000 1.448 367 D HN 0.670 nan 8.370 nan 0.000 0.489 368 A N 2.228 125.190 122.820 0.237 0.000 2.260 368 A HA 0.616 4.936 4.320 0.001 0.000 0.314 368 A C 0.192 177.818 177.584 0.070 0.000 1.257 368 A CA -0.456 51.680 52.037 0.165 0.000 0.871 368 A CB 1.074 20.137 19.000 0.104 0.000 1.166 368 A HN 0.526 nan 8.150 nan 0.000 0.522 369 A N 2.591 125.448 122.820 0.062 0.000 3.197 369 A HA 0.600 4.920 4.320 0.001 0.000 0.263 369 A C 0.860 178.454 177.584 0.017 0.000 1.524 369 A CA 0.530 52.579 52.037 0.020 0.000 1.176 369 A CB -1.070 17.942 19.000 0.020 0.000 1.096 369 A HN 2.379 nan 8.150 nan 0.000 0.655 370 G N -1.237 107.570 108.800 0.012 0.000 2.359 370 G HA2 0.336 4.297 3.960 0.001 0.000 0.293 370 G HA3 0.336 4.297 3.960 0.001 0.000 0.293 370 G C 0.110 175.007 174.900 -0.005 0.000 1.300 370 G CA 0.351 45.454 45.100 0.004 0.000 0.888 370 G HN 0.849 nan 8.290 nan 0.000 0.541 371 T N -2.527 112.019 114.554 -0.013 0.000 3.043 371 T HA 0.572 4.923 4.350 0.001 0.000 0.272 371 T C 1.059 175.740 174.700 -0.031 0.000 0.990 371 T CA 1.228 63.311 62.100 -0.027 0.000 0.897 371 T CB 0.766 69.613 68.868 -0.035 0.000 1.111 371 T HN 1.638 nan 8.240 nan 0.000 0.529 372 G N 1.106 109.890 108.800 -0.028 0.000 2.521 372 G HA2 0.531 4.492 3.960 0.001 0.000 0.323 372 G HA3 0.531 4.492 3.960 0.001 0.000 0.323 372 G C -0.582 174.279 174.900 -0.066 0.000 1.211 372 G CA -0.879 44.189 45.100 -0.053 0.000 0.979 372 G HN 0.185 nan 8.290 nan 0.000 0.490 373 N N -0.359 118.251 118.700 -0.151 0.000 2.407 373 N HA 0.249 4.990 4.740 0.001 0.000 0.250 373 N C 1.333 176.826 175.510 -0.028 0.000 1.236 373 N CA 1.496 54.404 53.050 -0.236 0.000 0.879 373 N CB 1.077 39.213 38.487 -0.585 0.000 1.088 373 N HN 1.180 nan 8.380 nan 0.000 0.450 374 G N 0.704 109.572 108.800 0.114 0.000 2.176 374 G HA2 -0.292 3.668 3.960 0.001 0.000 0.253 374 G HA3 -0.292 3.668 3.960 0.001 0.000 0.253 374 G C 0.226 175.186 174.900 0.100 0.000 0.979 374 G CA 0.440 45.626 45.100 0.143 0.000 0.641 374 G HN 0.631 nan 8.290 nan 0.000 0.530 375 T N 1.542 116.144 114.554 0.080 0.000 2.902 375 T HA 0.335 4.686 4.350 0.001 0.000 0.301 375 T C 0.706 175.463 174.700 0.095 0.000 1.012 375 T CA 0.738 62.882 62.100 0.073 0.000 1.151 375 T CB 1.057 69.962 68.868 0.061 0.000 0.946 375 T HN 0.572 nan 8.240 nan 0.000 0.542 376 K N 3.334 123.785 120.400 0.084 0.000 2.368 376 K HA 0.233 4.554 4.320 0.001 0.000 0.282 376 K C -0.813 175.851 176.600 0.105 0.000 1.035 376 K CA -0.448 55.893 56.287 0.090 0.000 0.973 376 K CB 0.406 32.953 32.500 0.078 0.000 0.957 376 K HN 0.291 nan 8.250 nan 0.000 0.474 377 V N 5.831 125.806 119.914 0.101 0.000 2.394 377 V HA 0.205 4.325 4.120 0.001 0.000 0.282 377 V C -0.026 176.122 176.094 0.091 0.000 1.031 377 V CA -0.328 62.034 62.300 0.104 0.000 0.881 377 V CB 0.985 32.825 31.823 0.028 0.000 0.982 377 V HN 1.016 nan 8.190 nan 0.000 0.451 378 Q N 5.272 125.152 119.800 0.134 0.000 3.019 378 Q HA 0.756 5.097 4.340 0.001 0.000 0.337 378 Q C -0.921 175.212 176.000 0.222 0.000 0.900 378 Q CA -1.087 54.813 55.803 0.161 0.000 0.800 378 Q CB 2.475 31.310 28.738 0.161 0.000 1.437 378 Q HN 0.632 nan 8.270 nan 0.000 0.505 379 I N -2.222 118.502 120.570 0.256 0.000 2.562 379 I HA 0.813 4.984 4.170 0.001 0.000 0.301 379 I C -1.401 174.934 176.117 0.363 0.000 1.003 379 I CA -1.079 60.404 61.300 0.305 0.000 1.127 379 I CB 1.806 39.977 38.000 0.284 0.000 1.304 379 I HN 0.732 nan 8.210 nan 0.000 0.446 380 Y N 2.106 122.528 120.300 0.203 0.000 2.624 380 Y HA 0.410 4.960 4.550 0.001 0.000 0.334 380 Y C -0.606 175.419 175.900 0.208 0.000 1.155 380 Y CA -0.750 57.464 58.100 0.191 0.000 1.046 380 Y CB 2.049 40.638 38.460 0.214 0.000 1.316 380 Y HN 0.781 nan 8.280 nan 0.000 0.457 381 S N 2.067 117.569 115.700 -0.330 0.000 2.558 381 S HA 0.060 4.531 4.470 0.001 0.000 0.293 381 S C -0.405 174.316 174.600 0.202 0.000 1.292 381 S CA -0.136 57.989 58.200 -0.124 0.000 1.063 381 S CB -0.328 62.690 63.200 -0.304 0.000 0.831 381 S HN 0.624 nan 8.310 nan 0.000 0.499 382 c N 5.309 124.029 118.600 0.201 0.000 2.632 382 c HA 0.232 4.802 4.570 0.001 0.000 0.415 382 c C 1.464 175.745 174.090 0.319 0.000 1.332 382 c CA -0.468 56.003 56.329 0.237 0.000 1.874 382 c CB -1.039 41.553 42.510 0.137 0.000 2.596 382 c HN 1.095 nan 8.230 nan 0.000 0.590 383 W N 1.116 122.480 121.300 0.108 0.000 1.857 383 W HA 0.365 5.026 4.660 0.001 0.000 0.244 383 W C 0.682 177.241 176.519 0.066 0.000 0.859 383 W CA 0.223 57.619 57.345 0.085 0.000 1.112 383 W CB -0.746 28.782 29.460 0.114 0.000 0.967 383 W HN 0.918 nan 8.180 nan 0.000 0.524 384 G N 1.415 109.939 108.800 -0.460 0.000 2.159 384 G HA2 -0.140 3.821 3.960 0.001 0.000 0.227 384 G HA3 -0.140 3.821 3.960 0.001 0.000 0.227 384 G C 0.612 174.998 174.900 -0.857 0.000 0.986 384 G CA -0.157 44.649 45.100 -0.490 0.000 0.651 384 G HN 0.653 nan 8.290 nan 0.000 0.523 385 G N -0.249 107.508 108.800 -1.739 0.000 2.554 385 G HA2 0.408 4.368 3.960 0.001 0.000 0.238 385 G HA3 0.408 4.368 3.960 0.001 0.000 0.238 385 G C 0.590 175.117 174.900 -0.623 0.000 1.259 385 G CA 0.439 44.695 45.100 -1.407 0.000 0.843 385 G HN 0.065 nan 8.290 nan 0.000 0.582 386 D N 0.100 120.268 120.400 -0.387 0.000 2.310 386 D HA -0.119 4.521 4.640 0.001 0.000 0.212 386 D C 2.053 178.139 176.300 -0.358 0.000 0.965 386 D CA 0.734 54.550 54.000 -0.307 0.000 0.879 386 D CB 0.169 40.846 40.800 -0.205 0.000 0.921 386 D HN 0.589 nan 8.370 nan 0.000 0.510 387 N N 0.141 118.661 118.700 -0.301 0.000 2.461 387 N HA -0.092 4.648 4.740 0.001 0.000 0.188 387 N C 0.749 176.071 175.510 -0.314 0.000 1.134 387 N CA 0.242 53.120 53.050 -0.287 0.000 0.878 387 N CB 0.085 38.510 38.487 -0.103 0.000 0.972 387 N HN 0.255 nan 8.380 nan 0.000 0.456 388 Q N -0.237 119.358 119.800 -0.341 0.000 2.149 388 Q HA 0.254 4.595 4.340 0.001 0.000 0.221 388 Q C -0.510 175.335 176.000 -0.258 0.000 0.807 388 Q CA -0.051 55.664 55.803 -0.147 0.000 1.000 388 Q CB 0.997 29.674 28.738 -0.101 0.000 1.157 388 Q HN 0.258 nan 8.270 nan 0.000 0.487 389 K N 0.356 120.399 120.400 -0.595 0.000 2.207 389 K HA 0.463 4.783 4.320 0.001 0.000 0.255 389 K C -1.399 174.740 176.600 -0.769 0.000 0.941 389 K CA -0.382 55.636 56.287 -0.448 0.000 0.825 389 K CB 1.325 33.653 32.500 -0.287 0.000 1.119 389 K HN -0.101 nan 8.250 nan 0.000 0.430 390 W N 1.043 122.376 121.300 0.054 0.000 2.950 390 W HA 0.478 5.138 4.660 0.001 0.000 0.340 390 W C -0.327 176.276 176.519 0.139 0.000 1.139 390 W CA -0.845 56.543 57.345 0.072 0.000 1.188 390 W CB 1.174 30.661 29.460 0.045 0.000 1.426 390 W HN 0.177 nan 8.180 nan 0.000 0.531 391 R N 2.125 122.781 120.500 0.261 0.000 2.343 391 R HA 0.500 4.840 4.340 0.001 0.000 0.320 391 R C -0.858 175.479 176.300 0.062 0.000 0.956 391 R CA -0.889 55.302 56.100 0.152 0.000 0.836 391 R CB 1.119 31.470 30.300 0.086 0.000 1.151 391 R HN 0.397 nan 8.270 nan 0.000 0.450 392 L N 3.949 125.131 121.223 -0.067 0.000 2.302 392 L HA 0.259 4.599 4.340 0.001 0.000 0.285 392 L C 0.091 176.917 176.870 -0.074 0.000 1.090 392 L CA -0.669 54.075 54.840 -0.159 0.000 0.866 392 L CB 0.030 41.847 42.059 -0.404 0.000 1.244 392 L HN 0.424 nan 8.230 nan 0.000 0.435 393 N N 0.897 119.586 118.700 -0.018 0.000 2.453 393 N HA -0.006 4.735 4.740 0.001 0.000 0.253 393 N C 1.258 176.759 175.510 -0.016 0.000 1.252 393 N CA 0.130 53.178 53.050 -0.004 0.000 0.917 393 N CB 1.517 40.017 38.487 0.022 0.000 1.117 393 N HN 0.561 nan 8.380 nan 0.000 0.442 394 S N -0.172 115.517 115.700 -0.018 0.000 2.447 394 S HA -0.158 4.313 4.470 0.001 0.000 0.233 394 S C 1.016 175.609 174.600 -0.012 0.000 1.006 394 S CA 0.882 59.069 58.200 -0.021 0.000 0.957 394 S CB -0.111 63.074 63.200 -0.025 0.000 0.773 394 S HN 0.725 nan 8.310 nan 0.000 0.507 395 D N 0.979 121.376 120.400 -0.005 0.000 2.363 395 D HA 0.131 4.771 4.640 0.001 0.000 0.226 395 D C 1.434 177.735 176.300 0.001 0.000 1.020 395 D CA 0.809 54.806 54.000 -0.004 0.000 0.892 395 D CB -0.634 40.166 40.800 -0.001 0.000 0.900 395 D HN 0.630 nan 8.370 nan 0.000 0.531 396 G N 0.308 109.117 108.800 0.015 0.000 2.195 396 G HA2 -0.278 3.683 3.960 0.001 0.000 0.246 396 G HA3 -0.278 3.683 3.960 0.001 0.000 0.246 396 G C 0.359 175.334 174.900 0.124 0.000 0.984 396 G CA 0.378 45.505 45.100 0.045 0.000 0.633 396 G HN 0.783 nan 8.290 nan 0.000 0.525 397 S N -0.123 115.638 115.700 0.103 0.000 2.601 397 S HA 0.759 5.229 4.470 0.001 0.000 0.271 397 S C 0.023 174.711 174.600 0.146 0.000 1.305 397 S CA -0.582 57.717 58.200 0.166 0.000 1.022 397 S CB 1.946 65.211 63.200 0.107 0.000 0.940 397 S HN 0.607 nan 8.310 nan 0.000 0.525 398 I N 2.229 122.899 120.570 0.167 0.000 2.411 398 I HA 0.327 4.497 4.170 0.001 0.000 0.284 398 I C -1.088 175.139 176.117 0.183 0.000 1.012 398 I CA -0.909 60.430 61.300 0.065 0.000 1.119 398 I CB 1.815 39.694 38.000 -0.203 0.000 1.261 398 I HN 0.416 nan 8.210 nan 0.000 0.448 399 V N 4.880 124.921 119.914 0.212 0.000 2.435 399 V HA 0.492 4.613 4.120 0.001 0.000 0.290 399 V C 0.823 177.047 176.094 0.217 0.000 1.030 399 V CA -0.690 61.735 62.300 0.207 0.000 0.881 399 V CB 1.553 33.433 31.823 0.096 0.000 0.983 399 V HN 0.852 nan 8.190 nan 0.000 0.445 400 G N 2.758 111.623 108.800 0.108 0.000 2.378 400 G HA2 0.360 4.321 3.960 0.001 0.000 0.255 400 G HA3 0.360 4.321 3.960 0.001 0.000 0.255 400 G C 0.916 175.634 174.900 -0.303 0.000 1.270 400 G CA -0.262 44.593 45.100 -0.408 0.000 0.876 400 G HN 0.546 nan 8.290 nan 0.000 0.521 401 V N 2.064 121.742 119.914 -0.394 0.000 2.237 401 V HA -0.262 3.858 4.120 0.001 0.000 0.245 401 V C 2.880 178.848 176.094 -0.209 0.000 1.046 401 V CA 2.429 64.579 62.300 -0.250 0.000 1.007 401 V CB -0.735 30.938 31.823 -0.251 0.000 0.638 401 V HN 0.878 nan 8.190 nan 0.000 0.445 402 Q N 0.248 119.899 119.800 -0.248 0.000 2.050 402 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 402 Q C 2.371 178.295 176.000 -0.127 0.000 0.980 402 Q CA 2.414 58.116 55.803 -0.168 0.000 0.840 402 Q CB -0.125 28.512 28.738 -0.170 0.000 0.898 402 Q HN 0.782 nan 8.270 nan 0.000 0.424 403 S N -1.769 113.845 115.700 -0.144 0.000 2.425 403 S HA 0.131 4.601 4.470 0.001 0.000 0.225 403 S C 1.497 176.056 174.600 -0.068 0.000 1.024 403 S CA 0.737 58.882 58.200 -0.091 0.000 0.951 403 S CB 0.152 63.306 63.200 -0.076 0.000 0.796 403 S HN 0.694 nan 8.310 nan 0.000 0.498 404 G N 0.631 109.387 108.800 -0.073 0.000 2.148 404 G HA2 -0.188 3.772 3.960 0.001 0.000 0.254 404 G HA3 -0.188 3.772 3.960 0.001 0.000 0.254 404 G C -0.254 174.641 174.900 -0.008 0.000 0.981 404 G CA 0.476 45.550 45.100 -0.044 0.000 0.670 404 G HN 0.485 nan 8.290 nan 0.000 0.528 405 L N -0.227 121.002 121.223 0.010 0.000 2.334 405 L HA 0.735 5.076 4.340 0.001 0.000 0.270 405 L C 0.914 177.864 176.870 0.133 0.000 1.018 405 L CA -0.871 54.003 54.840 0.057 0.000 0.811 405 L CB 1.494 43.578 42.059 0.043 0.000 1.271 405 L HN 0.191 nan 8.230 nan 0.000 0.443 406 c N 1.412 120.110 118.600 0.164 0.000 2.405 406 c HA 0.468 5.039 4.570 0.001 0.000 0.365 406 c C 0.414 174.647 174.090 0.239 0.000 1.233 406 c CA -1.050 55.403 56.329 0.207 0.000 2.230 406 c CB 0.559 43.181 42.510 0.186 0.000 2.443 406 c HN 0.526 nan 8.230 nan 0.000 0.556 407 L N 3.520 124.877 121.223 0.224 0.000 2.455 407 L HA 0.216 4.557 4.340 0.001 0.000 0.272 407 L C 0.202 177.270 176.870 0.331 0.000 1.174 407 L CA 0.981 55.912 54.840 0.150 0.000 0.869 407 L CB 0.145 42.094 42.059 -0.183 0.000 1.130 407 L HN 0.690 nan 8.230 nan 0.000 0.474 408 D N 2.950 123.514 120.400 0.274 0.000 2.964 408 D HA 0.358 4.999 4.640 0.001 0.000 0.234 408 D C -0.996 175.413 176.300 0.181 0.000 1.223 408 D CA -0.485 53.650 54.000 0.226 0.000 0.889 408 D CB 2.228 43.130 40.800 0.171 0.000 1.609 408 D HN 0.506 nan 8.370 nan 0.000 0.523 409 A N 3.624 126.521 122.820 0.128 0.000 2.350 409 A HA 0.389 4.710 4.320 0.001 0.000 0.293 409 A C 0.505 178.097 177.584 0.015 0.000 1.231 409 A CA -0.453 51.636 52.037 0.086 0.000 0.883 409 A CB 0.253 19.264 19.000 0.019 0.000 1.133 409 A HN 0.443 nan 8.150 nan 0.000 0.533 410 V N 3.068 123.000 119.914 0.031 0.000 2.678 410 V HA 0.185 4.305 4.120 0.001 0.000 0.304 410 V C 1.735 177.810 176.094 -0.032 0.000 1.086 410 V CA 1.898 64.199 62.300 0.001 0.000 1.246 410 V CB -0.277 31.565 31.823 0.032 0.000 0.861 410 V HN 1.897 nan 8.190 nan 0.000 0.491 411 G N 3.957 112.712 108.800 -0.074 0.000 2.187 411 G HA2 -0.067 3.893 3.960 0.001 0.000 0.261 411 G HA3 -0.067 3.893 3.960 0.001 0.000 0.261 411 G C 1.138 175.990 174.900 -0.079 0.000 1.000 411 G CA 0.645 45.699 45.100 -0.076 0.000 0.718 411 G HN 2.463 nan 8.290 nan 0.000 0.519 412 G N -1.497 107.248 108.800 -0.092 0.000 2.153 412 G HA2 0.170 4.130 3.960 0.001 0.000 0.252 412 G HA3 0.170 4.130 3.960 0.001 0.000 0.252 412 G C 1.350 176.207 174.900 -0.072 0.000 0.994 412 G CA 0.925 45.970 45.100 -0.093 0.000 0.698 412 G HN 2.146 nan 8.290 nan 0.000 0.521 413 G N -0.814 107.957 108.800 -0.049 0.000 2.484 413 G HA2 0.508 4.468 3.960 0.001 0.000 0.235 413 G HA3 0.508 4.468 3.960 0.001 0.000 0.235 413 G C 1.054 175.930 174.900 -0.039 0.000 1.282 413 G CA 1.087 46.167 45.100 -0.033 0.000 0.857 413 G HN 1.339 nan 8.290 nan 0.000 0.571 414 T N -1.825 112.706 114.554 -0.038 0.000 2.986 414 T HA 0.558 4.909 4.350 0.001 0.000 0.264 414 T C 1.066 175.744 174.700 -0.037 0.000 0.964 414 T CA 0.637 62.709 62.100 -0.047 0.000 0.895 414 T CB 0.238 69.070 68.868 -0.060 0.000 1.163 414 T HN 0.905 nan 8.240 nan 0.000 0.517 415 A N 2.206 125.011 122.820 -0.026 0.000 2.313 415 A HA 0.544 4.865 4.320 0.001 0.000 0.261 415 A C 0.294 177.867 177.584 -0.018 0.000 1.090 415 A CA -0.640 51.378 52.037 -0.031 0.000 0.807 415 A CB 0.004 18.992 19.000 -0.019 0.000 1.055 415 A HN 0.401 nan 8.150 nan 0.000 0.492 416 N N -0.143 118.521 118.700 -0.060 0.000 2.454 416 N HA 0.296 5.036 4.740 0.001 0.000 0.254 416 N C 1.154 176.734 175.510 0.117 0.000 1.228 416 N CA 1.677 54.707 53.050 -0.033 0.000 0.900 416 N CB 0.864 39.221 38.487 -0.218 0.000 1.089 416 N HN 1.280 nan 8.380 nan 0.000 0.449 417 G N 0.756 109.688 108.800 0.219 0.000 2.195 417 G HA2 -0.280 3.680 3.960 0.001 0.000 0.246 417 G HA3 -0.280 3.680 3.960 0.001 0.000 0.246 417 G C 0.165 175.135 174.900 0.116 0.000 0.984 417 G CA 0.292 45.494 45.100 0.170 0.000 0.633 417 G HN 0.609 nan 8.290 nan 0.000 0.525 418 T N 2.452 117.065 114.554 0.100 0.000 2.867 418 T HA 0.458 4.808 4.350 0.001 0.000 0.297 418 T C 1.024 175.781 174.700 0.095 0.000 0.989 418 T CA 0.167 62.313 62.100 0.077 0.000 1.159 418 T CB 0.823 69.724 68.868 0.056 0.000 0.928 418 T HN 0.366 nan 8.240 nan 0.000 0.538 419 L N 3.648 124.920 121.223 0.082 0.000 2.439 419 L HA 0.435 4.776 4.340 0.001 0.000 0.261 419 L C 0.260 177.184 176.870 0.090 0.000 1.153 419 L CA -1.000 53.892 54.840 0.086 0.000 0.808 419 L CB 0.424 42.529 42.059 0.076 0.000 1.126 419 L HN 0.385 nan 8.230 nan 0.000 0.460 420 I N 1.623 122.243 120.570 0.083 0.000 2.377 420 I HA 0.339 4.509 4.170 0.001 0.000 0.293 420 I C -0.003 176.161 176.117 0.079 0.000 0.987 420 I CA -0.248 61.099 61.300 0.079 0.000 1.185 420 I CB 1.384 39.387 38.000 0.006 0.000 1.341 420 I HN 0.733 nan 8.210 nan 0.000 0.455 421 Q N 5.832 125.697 119.800 0.108 0.000 2.683 421 Q HA 0.726 5.066 4.340 0.001 0.000 0.302 421 Q C -1.770 174.332 176.000 0.169 0.000 1.042 421 Q CA -0.987 54.896 55.803 0.133 0.000 0.773 421 Q CB 2.474 31.303 28.738 0.152 0.000 1.508 421 Q HN 0.462 nan 8.270 nan 0.000 0.459 422 L N 1.086 122.418 121.223 0.182 0.000 2.343 422 L HA 0.635 4.975 4.340 0.001 0.000 0.275 422 L C -1.229 175.782 176.870 0.235 0.000 1.056 422 L CA -0.806 54.151 54.840 0.195 0.000 0.804 422 L CB 1.043 43.187 42.059 0.143 0.000 1.203 422 L HN 0.676 nan 8.230 nan 0.000 0.440 423 Y N -0.022 120.327 120.300 0.083 0.000 2.604 423 Y HA 0.155 4.706 4.550 0.001 0.000 0.331 423 Y C -0.099 175.833 175.900 0.054 0.000 1.158 423 Y CA -0.809 57.327 58.100 0.060 0.000 1.056 423 Y CB 1.810 40.303 38.460 0.055 0.000 1.330 423 Y HN 0.525 nan 8.280 nan 0.000 0.457 424 S N 2.301 117.983 115.700 -0.030 0.000 2.626 424 S HA -0.022 4.449 4.470 0.001 0.000 0.303 424 S C -0.269 174.451 174.600 0.199 0.000 1.256 424 S CA 0.027 58.265 58.200 0.063 0.000 1.069 424 S CB -0.478 62.729 63.200 0.013 0.000 0.807 424 S HN 0.608 nan 8.310 nan 0.000 0.500 425 c N 3.862 122.534 118.600 0.120 0.000 2.634 425 c HA 0.226 4.797 4.570 0.001 0.000 0.418 425 c C 1.878 176.024 174.090 0.093 0.000 1.373 425 c CA -0.009 56.386 56.329 0.110 0.000 1.756 425 c CB -0.504 42.053 42.510 0.078 0.000 2.589 425 c HN 1.039 nan 8.230 nan 0.000 0.602 426 S N 0.919 116.664 115.700 0.076 0.000 2.733 426 S HA 0.096 4.567 4.470 0.001 0.000 0.247 426 S C 0.558 175.166 174.600 0.013 0.000 1.043 426 S CA 0.001 58.228 58.200 0.046 0.000 1.066 426 S CB -0.170 63.054 63.200 0.041 0.000 1.045 426 S HN 0.839 nan 8.310 nan 0.000 0.586 427 N N 1.230 119.936 118.700 0.009 0.000 2.828 427 N HA -0.110 4.630 4.740 0.001 0.000 0.248 427 N C 0.460 175.945 175.510 -0.041 0.000 1.044 427 N CA 0.962 54.004 53.050 -0.013 0.000 0.851 427 N CB -1.664 36.817 38.487 -0.010 0.000 1.136 427 N HN 0.725 nan 8.380 nan 0.000 0.572 428 G N 0.196 108.967 108.800 -0.049 0.000 2.569 428 G HA2 0.312 4.272 3.960 0.001 0.000 0.249 428 G HA3 0.312 4.272 3.960 0.001 0.000 0.249 428 G C 1.041 175.863 174.900 -0.130 0.000 1.216 428 G CA 0.383 45.435 45.100 -0.080 0.000 0.845 428 G HN 0.261 nan 8.290 nan 0.000 0.568 429 S N 0.248 115.860 115.700 -0.147 0.000 2.474 429 S HA -0.155 4.315 4.470 0.001 0.000 0.235 429 S C 1.648 176.063 174.600 -0.307 0.000 0.997 429 S CA 1.102 59.180 58.200 -0.203 0.000 0.949 429 S CB -0.219 62.883 63.200 -0.164 0.000 0.766 429 S HN 0.732 nan 8.310 nan 0.000 0.517 430 N N 0.858 119.401 118.700 -0.263 0.000 2.383 430 N HA 0.031 4.771 4.740 0.001 0.000 0.192 430 N C 0.838 176.145 175.510 -0.338 0.000 1.141 430 N CA 0.084 52.947 53.050 -0.312 0.000 0.851 430 N CB -0.195 38.181 38.487 -0.185 0.000 0.976 430 N HN 0.594 nan 8.380 nan 0.000 0.465 431 Q N -0.403 119.205 119.800 -0.320 0.000 2.127 431 Q HA 0.278 4.618 4.340 0.001 0.000 0.222 431 Q C -0.393 175.447 176.000 -0.267 0.000 0.794 431 Q CA -0.236 55.480 55.803 -0.146 0.000 1.010 431 Q CB 1.286 30.029 28.738 0.010 0.000 1.170 431 Q HN 0.220 nan 8.270 nan 0.000 0.479 432 R N 0.000 120.151 120.500 -0.583 0.000 2.514 432 R HA 0.462 4.802 4.340 0.001 0.000 0.301 432 R C -1.413 174.430 176.300 -0.760 0.000 0.962 432 R CA -0.228 55.611 56.100 -0.434 0.000 0.882 432 R CB 1.166 31.323 30.300 -0.239 0.000 1.143 432 R HN -0.069 nan 8.270 nan 0.000 0.452 433 W N 0.090 121.343 121.300 -0.079 0.000 3.031 433 W HA 0.402 5.062 4.660 0.001 0.000 0.337 433 W C -0.312 176.159 176.519 -0.081 0.000 1.187 433 W CA -0.718 56.573 57.345 -0.090 0.000 1.166 433 W CB 1.676 31.057 29.460 -0.131 0.000 1.437 433 W HN 0.464 nan 8.180 nan 0.000 0.551 434 T N -0.419 114.229 114.554 0.158 0.000 2.848 434 T HA 0.616 4.966 4.350 0.001 0.000 0.285 434 T C -0.515 174.226 174.700 0.068 0.000 0.995 434 T CA -1.240 60.904 62.100 0.073 0.000 0.970 434 T CB 1.190 70.078 68.868 0.032 0.000 0.976 434 T HN 0.412 nan 8.240 nan 0.000 0.441 435 R N 2.750 123.270 120.500 0.033 0.000 2.298 435 R HA 0.579 4.919 4.340 0.001 0.000 0.310 435 R C -0.430 175.888 176.300 0.030 0.000 1.068 435 R CA -0.522 55.593 56.100 0.024 0.000 0.957 435 R CB -0.026 30.272 30.300 -0.003 0.000 1.003 435 R HN 0.710 nan 8.270 nan 0.000 0.454 436 T N 0.000 114.578 114.554 0.041 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.122 62.100 0.036 0.000 1.349 436 T CB 0.000 68.893 68.868 0.041 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658