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 2olh_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPKLK TLLSVGGWNF GPERFSKIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT ALVKEMKAEF AREAQAGTER DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFRGNSDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GRSFTLASSK DATA SEQUENCE TDVGAPISGP GIPGRFTKEK GILAYYEIcD FLHGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA RV 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.892 175.900 -0.014 0.000 1.272 1 Y CA 0.000 58.095 58.100 -0.009 0.000 1.940 1 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 2 K N 2.780 123.240 120.400 0.099 0.000 2.138 2 K HA 0.710 3.385 4.320 -2.743 0.000 0.263 2 K C -1.294 175.312 176.600 0.010 0.000 0.965 2 K CA -0.853 55.433 56.287 -0.001 0.000 0.868 2 K CB 1.964 34.318 32.500 -0.245 0.000 1.083 2 K HN 0.531 nan 8.250 nan 0.000 0.443 3 L N 4.909 126.147 121.223 0.025 0.000 2.377 3 L HA 0.449 3.143 4.340 -2.743 0.000 0.270 3 L C -1.309 175.566 176.870 0.008 0.000 0.991 3 L CA -0.664 54.190 54.840 0.022 0.000 0.851 3 L CB 0.890 42.970 42.059 0.035 0.000 1.218 3 L HN 0.595 nan 8.230 nan 0.000 0.420 4 I N 3.806 124.361 120.570 -0.025 0.000 2.312 4 I HA 0.290 2.815 4.170 -2.743 0.000 0.290 4 I C -0.507 175.642 176.117 0.054 0.000 1.008 4 I CA -0.320 60.964 61.300 -0.026 0.000 1.226 4 I CB 1.152 39.088 38.000 -0.107 0.000 1.371 4 I HN 0.500 nan 8.210 nan 0.000 0.468 5 c N 5.961 124.568 118.600 0.011 0.000 2.345 5 c HA 0.484 3.408 4.570 -2.743 0.000 0.323 5 c C -0.178 173.894 174.090 -0.030 0.000 1.276 5 c CA -0.964 55.384 56.329 0.031 0.000 1.543 5 c CB 0.048 42.543 42.510 -0.026 0.000 2.211 5 c HN 0.496 nan 8.230 nan 0.000 0.493 6 Y N 1.386 121.668 120.300 -0.031 0.000 2.299 6 Y HA 0.436 3.337 4.550 -2.748 0.000 0.326 6 Y C 0.021 175.732 175.900 -0.315 0.000 1.164 6 Y CA 0.078 58.081 58.100 -0.162 0.000 1.234 6 Y CB 0.587 38.894 38.460 -0.255 0.000 1.219 6 Y HN 0.712 nan 8.280 nan 0.000 0.497 7 Y N 2.566 122.681 120.300 -0.308 0.000 2.376 7 Y HA 0.472 3.376 4.550 -2.743 0.000 0.340 7 Y C -0.478 174.998 175.900 -0.707 0.000 0.965 7 Y CA -1.287 56.541 58.100 -0.452 0.000 1.078 7 Y CB 1.285 39.556 38.460 -0.315 0.000 1.193 7 Y HN 0.636 nan 8.280 nan 0.000 0.452 8 T N 1.906 115.443 114.554 -1.695 0.000 2.767 8 T HA 0.252 2.956 4.350 -2.743 0.000 0.284 8 T C 0.989 174.534 174.700 -1.924 0.000 0.973 8 T CA -0.261 60.730 62.100 -1.849 0.000 0.996 8 T CB 1.583 69.174 68.868 -2.129 0.000 0.927 8 T HN 0.764 nan 8.240 nan 0.000 0.456 9 S N 1.795 116.694 115.700 -1.336 0.000 2.380 9 S HA -0.173 2.651 4.470 -2.743 0.000 0.229 9 S C 1.461 175.774 174.600 -0.479 0.000 1.050 9 S CA 2.370 60.170 58.200 -0.667 0.000 1.100 9 S CB -0.637 62.476 63.200 -0.145 0.000 0.984 9 S HN 1.015 nan 8.310 nan 0.000 0.434 10 W N 2.138 123.284 121.300 -0.255 0.000 2.848 10 W HA 0.109 3.119 4.660 -2.749 0.000 0.241 10 W C 1.768 178.192 176.519 -0.159 0.000 1.289 10 W CA 0.656 57.972 57.345 -0.048 0.000 1.396 10 W CB -1.020 28.501 29.460 0.101 0.000 1.138 10 W HN 0.317 nan 8.180 nan 0.000 0.677 11 S N 0.753 116.044 115.700 -0.681 0.000 2.522 11 S HA -0.242 2.582 4.470 -2.743 0.000 0.227 11 S C 1.796 176.135 174.600 -0.434 0.000 0.986 11 S CA 0.927 58.822 58.200 -0.507 0.000 0.929 11 S CB -0.776 62.013 63.200 -0.686 0.000 0.769 11 S HN 0.723 nan 8.310 nan 0.000 0.529 12 Q N 0.156 119.546 119.800 -0.683 0.000 2.170 12 Q HA -0.133 2.561 4.340 -2.743 0.000 0.203 12 Q C 1.124 176.863 176.000 -0.436 0.000 0.976 12 Q CA 1.290 56.537 55.803 -0.927 0.000 0.858 12 Q CB -0.890 27.073 28.738 -1.292 0.000 0.907 12 Q HN 0.681 nan 8.270 nan 0.000 0.433 13 Y N 1.095 121.403 120.300 0.014 0.000 2.583 13 Y HA 0.181 3.084 4.550 -2.744 0.000 0.293 13 Y C 0.630 176.621 175.900 0.152 0.000 1.157 13 Y CA -0.260 57.921 58.100 0.136 0.000 1.315 13 Y CB -0.108 38.459 38.460 0.178 0.000 1.021 13 Y HN -0.023 nan 8.280 nan 0.000 0.536 14 R N 2.235 122.872 120.500 0.227 0.000 2.679 14 R HA 0.047 2.742 4.340 -2.743 0.000 0.268 14 R C 0.507 176.972 176.300 0.276 0.000 1.044 14 R CA -0.091 56.163 56.100 0.256 0.000 1.105 14 R CB 0.280 30.717 30.300 0.228 0.000 0.989 14 R HN 0.388 nan 8.270 nan 0.000 0.447 15 E N 1.582 121.977 120.200 0.325 0.000 2.313 15 E HA 0.379 3.084 4.350 -2.743 0.000 0.272 15 E C 0.540 177.369 176.600 0.382 0.000 1.038 15 E CA -0.343 56.248 56.400 0.318 0.000 0.863 15 E CB 0.995 30.854 29.700 0.265 0.000 1.060 15 E HN 0.684 nan 8.360 nan 0.000 0.402 16 G N 3.314 112.287 108.800 0.287 0.000 2.574 16 G HA2 -0.381 1.933 3.960 -2.743 0.000 0.286 16 G HA3 -0.381 1.933 3.960 -2.743 0.000 0.286 16 G C 0.422 175.411 174.900 0.150 0.000 1.212 16 G CA 0.323 45.576 45.100 0.255 0.000 0.979 16 G HN 0.749 nan 8.290 nan 0.000 0.557 17 D N 1.322 121.747 120.400 0.041 0.000 2.309 17 D HA -0.040 2.955 4.640 -2.743 0.000 0.212 17 D C 2.405 178.541 176.300 -0.274 0.000 0.968 17 D CA 1.641 55.557 54.000 -0.140 0.000 0.882 17 D CB -0.775 39.927 40.800 -0.163 0.000 0.918 17 D HN 0.669 nan 8.370 nan 0.000 0.503 18 G N 0.327 108.923 108.800 -0.340 0.000 2.471 18 G HA2 -0.149 2.166 3.960 -2.743 0.000 0.219 18 G HA3 -0.149 2.166 3.960 -2.743 0.000 0.219 18 G C 0.873 175.889 174.900 0.194 0.000 1.125 18 G CA 0.093 45.097 45.100 -0.159 0.000 0.775 18 G HN 0.222 nan 8.290 nan 0.000 0.548 19 S N -0.678 115.139 115.700 0.196 0.000 2.549 19 S HA 0.276 3.101 4.470 -2.743 0.000 0.286 19 S C -0.301 174.406 174.600 0.178 0.000 1.314 19 S CA -0.347 57.957 58.200 0.172 0.000 1.062 19 S CB 0.269 63.630 63.200 0.268 0.000 0.865 19 S HN 0.345 nan 8.310 nan 0.000 0.498 20 C N 6.861 126.076 119.300 -0.141 0.000 2.551 20 C HA 0.777 3.592 4.460 -2.743 0.000 0.332 20 C C -1.435 173.389 174.990 -0.277 0.000 1.139 20 C CA -0.806 58.041 59.018 -0.285 0.000 1.328 20 C CB -0.455 26.777 27.740 -0.846 0.000 1.903 20 C HN 0.844 nan 8.230 nan 0.000 0.459 21 F N 5.060 124.955 119.950 -0.091 0.000 2.561 21 F HA 0.509 3.391 4.527 -2.741 0.000 0.321 21 F C -1.423 174.192 175.800 -0.309 0.000 1.065 21 F CA -2.119 55.811 58.000 -0.116 0.000 0.934 21 F CB 1.003 39.957 39.000 -0.077 0.000 1.215 21 F HN 0.325 nan 8.300 nan 0.000 0.471 22 P HA -0.237 nan 4.420 nan 0.000 0.219 22 P C 1.019 178.213 177.300 -0.177 0.000 1.151 22 P CA 1.727 64.550 63.100 -0.462 0.000 0.850 22 P CB 0.220 31.735 31.700 -0.309 0.000 0.784 23 D N -0.792 119.577 120.400 -0.051 0.000 2.268 23 D HA -0.247 2.748 4.640 -2.743 0.000 0.189 23 D C 1.846 178.170 176.300 0.039 0.000 1.010 23 D CA 2.045 56.046 54.000 0.001 0.000 0.862 23 D CB -0.871 39.952 40.800 0.037 0.000 0.943 23 D HN 0.096 nan 8.370 nan 0.000 0.451 24 A N -0.270 122.600 122.820 0.083 0.000 2.172 24 A HA -0.009 2.666 4.320 -2.743 0.000 0.216 24 A C 0.678 178.433 177.584 0.284 0.000 1.154 24 A CA 0.121 52.268 52.037 0.184 0.000 0.701 24 A CB -0.252 18.900 19.000 0.252 0.000 0.789 24 A HN 0.199 nan 8.150 nan 0.000 0.465 25 I N 1.675 122.332 120.570 0.145 0.000 2.517 25 I HA 0.028 2.552 4.170 -2.743 0.000 0.285 25 I C 0.025 176.171 176.117 0.048 0.000 1.106 25 I CA -0.725 60.633 61.300 0.097 0.000 1.402 25 I CB -0.223 37.721 38.000 -0.093 0.000 1.399 25 I HN 0.179 nan 8.210 nan 0.000 0.535 26 D N 10.474 130.903 120.400 0.048 0.000 2.401 26 D HA 0.085 3.079 4.640 -2.743 0.000 0.254 26 D C -1.422 174.837 176.300 -0.069 0.000 1.192 26 D CA -1.618 52.417 54.000 0.058 0.000 0.885 26 D CB 1.135 41.993 40.800 0.097 0.000 1.147 26 D HN 0.310 nan 8.370 nan 0.000 0.478 27 P HA -0.058 nan 4.420 nan 0.000 0.234 27 P C 0.441 177.438 177.300 -0.505 0.000 1.167 27 P CA 0.580 63.484 63.100 -0.327 0.000 0.763 27 P CB 0.001 31.446 31.700 -0.426 0.000 0.835 28 F N -1.683 118.234 119.950 -0.055 0.000 2.661 28 F HA 0.175 3.056 4.527 -2.742 0.000 0.306 28 F C 1.942 177.709 175.800 -0.055 0.000 1.094 28 F CA -0.301 57.672 58.000 -0.046 0.000 1.254 28 F CB -0.242 38.743 39.000 -0.025 0.000 1.040 28 F HN -0.206 nan 8.300 nan 0.000 0.562 29 L N -0.302 120.932 121.223 0.018 0.000 2.034 29 L HA 0.058 2.753 4.340 -2.743 0.000 0.203 29 L C 0.853 177.691 176.870 -0.054 0.000 1.074 29 L CA 1.407 56.218 54.840 -0.048 0.000 0.748 29 L CB -0.209 41.719 42.059 -0.218 0.000 0.905 29 L HN 0.054 nan 8.230 nan 0.000 0.439 30 c N -1.591 116.955 118.600 -0.090 0.000 2.407 30 c HA 0.501 3.426 4.570 -2.743 0.000 0.366 30 c C 1.985 176.055 174.090 -0.034 0.000 1.213 30 c CA 0.038 56.337 56.329 -0.049 0.000 2.011 30 c CB 1.252 43.725 42.510 -0.063 0.000 2.306 30 c HN 0.606 nan 8.230 nan 0.000 0.527 31 T N -2.090 112.483 114.554 0.033 0.000 3.031 31 T HA 0.086 2.791 4.350 -2.743 0.000 0.254 31 T C 0.088 174.715 174.700 -0.122 0.000 1.060 31 T CA 0.977 63.084 62.100 0.011 0.000 1.135 31 T CB -0.212 68.756 68.868 0.167 0.000 0.896 31 T HN 0.786 nan 8.240 nan 0.000 0.472 32 H N -0.179 118.846 119.070 -0.076 0.000 2.782 32 H HA 0.712 3.625 4.556 -2.737 0.000 0.347 32 H C -1.382 173.911 175.328 -0.059 0.000 1.038 32 H CA -0.874 55.144 56.048 -0.050 0.000 1.255 32 H CB 1.943 31.686 29.762 -0.031 0.000 1.623 32 H HN 0.034 nan 8.280 nan 0.000 0.525 33 V N 4.602 124.549 119.914 0.055 0.000 2.459 33 V HA 0.345 2.820 4.120 -2.743 0.000 0.295 33 V C 0.056 176.175 176.094 0.041 0.000 1.029 33 V CA -0.569 61.736 62.300 0.009 0.000 0.874 33 V CB 1.469 33.280 31.823 -0.020 0.000 0.985 33 V HN 0.667 nan 8.190 nan 0.000 0.438 34 I N 4.945 125.473 120.570 -0.071 0.000 2.354 34 I HA 0.294 2.819 4.170 -2.743 0.000 0.286 34 I C -0.710 175.413 176.117 0.010 0.000 1.007 34 I CA -0.661 60.576 61.300 -0.104 0.000 1.167 34 I CB 1.048 38.727 38.000 -0.536 0.000 1.320 34 I HN 0.611 nan 8.210 nan 0.000 0.458 35 Y N 6.429 126.769 120.300 0.067 0.000 2.537 35 Y HA 0.086 2.990 4.550 -2.743 0.000 0.339 35 Y C 0.708 176.608 175.900 -0.000 0.000 1.066 35 Y CA 0.415 58.598 58.100 0.138 0.000 1.357 35 Y CB 0.787 39.426 38.460 0.298 0.000 1.175 35 Y HN 0.499 nan 8.280 nan 0.000 0.525 36 S N 7.548 122.940 115.700 -0.513 0.000 2.430 36 S HA 0.475 3.299 4.470 -2.743 0.000 0.289 36 S C -1.139 173.109 174.600 -0.586 0.000 1.143 36 S CA -0.262 57.544 58.200 -0.658 0.000 1.067 36 S CB -0.846 61.797 63.200 -0.929 0.000 0.964 36 S HN 0.697 nan 8.310 nan 0.000 0.485 37 F N 1.109 121.163 119.950 0.172 0.000 2.163 37 F HA -0.144 2.734 4.527 -2.749 0.000 0.512 37 F C 0.274 176.278 175.800 0.339 0.000 1.277 37 F CA -0.002 58.100 58.000 0.170 0.000 1.643 37 F CB -1.418 37.568 39.000 -0.023 0.000 2.621 37 F HN 0.704 nan 8.300 nan 0.000 0.726 38 A N 2.337 125.511 122.820 0.590 0.000 2.295 38 A HA 0.722 3.397 4.320 -2.743 0.000 0.318 38 A C -0.187 177.726 177.584 0.550 0.000 1.134 38 A CA -0.489 51.874 52.037 0.544 0.000 0.827 38 A CB 1.369 20.579 19.000 0.350 0.000 1.136 38 A HN 0.628 nan 8.150 nan 0.000 0.493 39 N N -0.142 118.859 118.700 0.502 0.000 2.478 39 N HA 0.608 3.702 4.740 -2.743 0.000 0.275 39 N C -1.068 174.519 175.510 0.127 0.000 1.221 39 N CA -0.434 52.825 53.050 0.347 0.000 0.979 39 N CB 0.689 39.217 38.487 0.068 0.000 1.202 39 N HN 0.504 nan 8.380 nan 0.000 0.564 40 I N 0.464 121.116 120.570 0.137 0.000 2.466 40 I HA 0.299 2.824 4.170 -2.743 0.000 0.289 40 I C -0.717 175.387 176.117 -0.023 0.000 1.026 40 I CA -0.542 60.751 61.300 -0.011 0.000 1.078 40 I CB 1.743 39.603 38.000 -0.233 0.000 1.249 40 I HN 0.370 nan 8.210 nan 0.000 0.429 41 S N 5.037 120.709 115.700 -0.046 0.000 2.614 41 S HA 0.422 3.246 4.470 -2.743 0.000 0.275 41 S C -0.232 174.339 174.600 -0.048 0.000 1.161 41 S CA -0.410 57.751 58.200 -0.065 0.000 0.969 41 S CB 0.703 63.866 63.200 -0.062 0.000 1.059 41 S HN 0.790 nan 8.310 nan 0.000 0.482 42 N N 3.274 121.938 118.700 -0.061 0.000 2.776 42 N HA -0.147 2.947 4.740 -2.743 0.000 0.250 42 N C -0.342 175.150 175.510 -0.030 0.000 1.112 42 N CA 0.819 53.844 53.050 -0.043 0.000 0.733 42 N CB -1.003 37.471 38.487 -0.023 0.000 1.097 42 N HN 0.779 nan 8.380 nan 0.000 0.558 43 N N -1.321 117.349 118.700 -0.050 0.000 2.782 43 N HA -0.183 2.911 4.740 -2.743 0.000 0.251 43 N C -1.007 174.556 175.510 0.090 0.000 1.101 43 N CA 1.639 54.672 53.050 -0.029 0.000 0.764 43 N CB -0.965 37.507 38.487 -0.024 0.000 1.122 43 N HN 0.702 nan 8.380 nan 0.000 0.561 44 E N -0.051 120.192 120.200 0.073 0.000 2.288 44 E HA 0.448 3.152 4.350 -2.743 0.000 0.268 44 E C 0.078 176.716 176.600 0.063 0.000 0.885 44 E CA -0.905 55.555 56.400 0.100 0.000 0.767 44 E CB 2.360 32.073 29.700 0.022 0.000 1.220 44 E HN 0.177 nan 8.360 nan 0.000 0.427 45 I N 1.627 122.200 120.570 0.005 0.000 2.754 45 I HA 0.013 2.537 4.170 -2.743 0.000 0.285 45 I C -0.349 175.475 176.117 -0.488 0.000 1.166 45 I CA 0.903 62.105 61.300 -0.163 0.000 1.417 45 I CB 0.364 38.191 38.000 -0.288 0.000 1.382 45 I HN 0.512 nan 8.210 nan 0.000 0.588 46 D N 3.179 123.363 120.400 -0.359 0.000 2.692 46 D HA 0.292 3.286 4.640 -2.743 0.000 0.303 46 D C -0.998 175.367 176.300 0.108 0.000 1.278 46 D CA -0.149 53.722 54.000 -0.215 0.000 0.852 46 D CB 1.828 42.607 40.800 -0.036 0.000 1.375 46 D HN 0.610 nan 8.370 nan 0.000 0.453 47 T N -2.026 112.698 114.554 0.282 0.000 2.788 47 T HA 0.210 2.915 4.350 -2.743 0.000 0.280 47 T C 0.500 175.421 174.700 0.368 0.000 0.984 47 T CA -0.352 61.971 62.100 0.371 0.000 0.972 47 T CB 1.444 70.450 68.868 0.230 0.000 1.039 47 T HN 0.523 nan 8.240 nan 0.000 0.530 48 W N -0.089 121.357 121.300 0.243 0.000 3.412 48 W HA 0.273 3.287 4.660 -2.744 0.000 0.236 48 W C 0.050 176.719 176.519 0.250 0.000 1.030 48 W CA 0.114 57.613 57.345 0.256 0.000 1.850 48 W CB 0.255 29.913 29.460 0.331 0.000 0.979 48 W HN 0.611 nan 8.180 nan 0.000 0.716 49 E N 1.410 121.961 120.200 0.584 0.000 2.283 49 E HA 0.031 2.736 4.350 -2.743 0.000 0.267 49 E C 1.419 178.207 176.600 0.313 0.000 1.045 49 E CA -0.209 56.478 56.400 0.479 0.000 0.884 49 E CB 0.248 30.164 29.700 0.360 0.000 1.106 49 E HN 0.204 nan 8.360 nan 0.000 0.408 50 W N 2.916 124.357 121.300 0.235 0.000 2.338 50 W HA -0.172 2.843 4.660 -2.742 0.000 0.304 50 W C 0.651 177.244 176.519 0.123 0.000 1.212 50 W CA 1.138 58.579 57.345 0.160 0.000 1.264 50 W CB -0.876 28.676 29.460 0.154 0.000 1.142 50 W HN 0.370 nan 8.180 nan 0.000 0.512 51 N N 0.933 119.211 118.700 -0.703 0.000 2.376 51 N HA -0.028 3.067 4.740 -2.743 0.000 0.249 51 N C 0.391 175.649 175.510 -0.420 0.000 1.140 51 N CA 0.122 52.764 53.050 -0.681 0.000 0.870 51 N CB -0.567 37.123 38.487 -1.329 0.000 1.124 51 N HN -0.060 nan 8.380 nan 0.000 0.505 52 D N 0.489 120.687 120.400 -0.336 0.000 2.117 52 D HA -0.141 2.853 4.640 -2.743 0.000 0.197 52 D C 2.130 177.879 176.300 -0.919 0.000 0.987 52 D CA 1.349 55.013 54.000 -0.560 0.000 0.829 52 D CB 0.024 40.474 40.800 -0.583 0.000 0.961 52 D HN 0.286 nan 8.370 nan 0.000 0.460 53 V N -0.938 118.588 119.914 -0.647 0.000 2.568 53 V HA -0.207 2.267 4.120 -2.743 0.000 0.253 53 V C 2.018 177.998 176.094 -0.190 0.000 1.072 53 V CA 2.029 64.089 62.300 -0.399 0.000 1.084 53 V CB -1.056 30.729 31.823 -0.064 0.000 0.676 53 V HN 0.025 nan 8.190 nan 0.000 0.469 54 T N 1.077 115.511 114.554 -0.199 0.000 2.809 54 T HA 0.139 2.843 4.350 -2.743 0.000 0.260 54 T C 1.854 176.497 174.700 -0.095 0.000 1.039 54 T CA 1.829 63.858 62.100 -0.117 0.000 1.141 54 T CB -0.286 68.508 68.868 -0.123 0.000 0.869 54 T HN 0.451 nan 8.240 nan 0.000 0.437 55 L N -0.150 121.005 121.223 -0.114 0.000 2.141 55 L HA -0.063 2.631 4.340 -2.743 0.000 0.209 55 L C 2.497 179.355 176.870 -0.019 0.000 1.094 55 L CA 1.161 55.998 54.840 -0.004 0.000 0.763 55 L CB -0.706 41.435 42.059 0.135 0.000 0.908 55 L HN 0.245 nan 8.230 nan 0.000 0.437 56 Y N 0.766 120.896 120.300 -0.284 0.000 2.081 56 Y HA -0.321 2.583 4.550 -2.742 0.000 0.280 56 Y C 2.563 178.276 175.900 -0.311 0.000 1.163 56 Y CA 1.498 59.370 58.100 -0.380 0.000 1.135 56 Y CB -0.934 37.336 38.460 -0.318 0.000 0.970 56 Y HN 0.293 nan 8.280 nan 0.000 0.498 57 D N -0.856 119.533 120.400 -0.018 0.000 2.123 57 D HA -0.149 2.846 4.640 -2.743 0.000 0.196 57 D C 1.961 178.205 176.300 -0.095 0.000 0.992 57 D CA 2.069 56.029 54.000 -0.067 0.000 0.833 57 D CB -0.139 40.641 40.800 -0.033 0.000 0.954 57 D HN 0.254 nan 8.370 nan 0.000 0.455 58 T N 0.176 114.686 114.554 -0.072 0.000 2.746 58 T HA -0.147 2.557 4.350 -2.743 0.000 0.267 58 T C 1.793 176.431 174.700 -0.104 0.000 1.039 58 T CA 1.057 63.113 62.100 -0.073 0.000 1.142 58 T CB -0.354 68.490 68.868 -0.041 0.000 0.866 58 T HN 0.112 nan 8.240 nan 0.000 0.444 59 L N 1.594 122.746 121.223 -0.118 0.000 2.056 59 L HA 0.050 2.745 4.340 -2.743 0.000 0.207 59 L C 1.716 178.473 176.870 -0.188 0.000 1.078 59 L CA 1.771 56.524 54.840 -0.145 0.000 0.749 59 L CB -0.722 41.287 42.059 -0.083 0.000 0.901 59 L HN 0.200 nan 8.230 nan 0.000 0.433 60 N N -1.579 116.972 118.700 -0.248 0.000 2.550 60 N HA -0.119 2.976 4.740 -2.743 0.000 0.186 60 N C 1.345 176.740 175.510 -0.193 0.000 1.110 60 N CA 0.938 53.826 53.050 -0.270 0.000 0.912 60 N CB -0.029 38.233 38.487 -0.375 0.000 0.968 60 N HN 0.567 nan 8.380 nan 0.000 0.448 61 T N -1.338 113.123 114.554 -0.155 0.000 3.085 61 T HA 0.070 2.775 4.350 -2.743 0.000 0.263 61 T C 1.684 176.308 174.700 -0.127 0.000 1.127 61 T CA 0.255 62.281 62.100 -0.123 0.000 1.103 61 T CB -0.213 68.597 68.868 -0.095 0.000 0.921 61 T HN 0.129 nan 8.240 nan 0.000 0.510 62 L N 0.078 121.213 121.223 -0.147 0.000 2.127 62 L HA -0.040 2.654 4.340 -2.743 0.000 0.211 62 L C 2.810 179.564 176.870 -0.193 0.000 1.089 62 L CA 1.426 56.167 54.840 -0.165 0.000 0.757 62 L CB -0.518 41.433 42.059 -0.179 0.000 0.899 62 L HN 0.278 nan 8.230 nan 0.000 0.434 63 K N -0.033 120.258 120.400 -0.182 0.000 2.360 63 K HA -0.126 2.549 4.320 -2.743 0.000 0.201 63 K C 1.660 178.175 176.600 -0.142 0.000 1.046 63 K CA 0.697 56.879 56.287 -0.176 0.000 0.945 63 K CB -0.014 32.387 32.500 -0.164 0.000 0.750 63 K HN 0.235 nan 8.250 nan 0.000 0.464 64 N N 0.141 118.768 118.700 -0.120 0.000 2.409 64 N HA -0.035 3.060 4.740 -2.743 0.000 0.179 64 N C 1.130 176.600 175.510 -0.068 0.000 1.032 64 N CA 0.782 53.782 53.050 -0.084 0.000 0.898 64 N CB 0.241 38.686 38.487 -0.070 0.000 0.971 64 N HN 0.176 nan 8.380 nan 0.000 0.441 65 R N -0.473 119.968 120.500 -0.098 0.000 2.156 65 R HA 0.136 2.830 4.340 -2.743 0.000 0.207 65 R C -0.038 176.189 176.300 -0.122 0.000 1.040 65 R CA 0.294 56.358 56.100 -0.060 0.000 1.013 65 R CB 0.088 30.357 30.300 -0.052 0.000 0.931 65 R HN 0.031 nan 8.270 nan 0.000 0.465 66 N N 1.150 119.660 118.700 -0.317 0.000 2.573 66 N HA 0.133 3.228 4.740 -2.743 0.000 0.262 66 N C -2.250 173.132 175.510 -0.214 0.000 1.029 66 N CA -2.288 50.526 53.050 -0.393 0.000 0.882 66 N CB 1.695 39.663 38.487 -0.865 0.000 1.204 66 N HN -0.183 nan 8.380 nan 0.000 0.519 67 P HA -0.008 nan 4.420 nan 0.000 0.237 67 P C 0.611 177.855 177.300 -0.093 0.000 1.178 67 P CA 0.581 63.628 63.100 -0.089 0.000 0.766 67 P CB 0.516 32.188 31.700 -0.048 0.000 0.876 68 K N -0.562 119.779 120.400 -0.097 0.000 2.365 68 K HA 0.136 2.810 4.320 -2.743 0.000 0.197 68 K C 1.106 177.612 176.600 -0.156 0.000 1.042 68 K CA -0.291 55.938 56.287 -0.096 0.000 0.987 68 K CB -0.443 32.027 32.500 -0.051 0.000 0.779 68 K HN 0.282 nan 8.250 nan 0.000 0.484 69 L N 2.214 123.320 121.223 -0.194 0.000 2.525 69 L HA -0.070 2.624 4.340 -2.743 0.000 0.278 69 L C -0.196 176.541 176.870 -0.223 0.000 1.218 69 L CA 0.607 55.311 54.840 -0.227 0.000 0.878 69 L CB 0.330 42.247 42.059 -0.237 0.000 1.127 69 L HN -0.135 nan 8.230 nan 0.000 0.492 70 K N 1.973 122.202 120.400 -0.284 0.000 2.345 70 K HA 0.433 3.107 4.320 -2.743 0.000 0.255 70 K C -0.537 176.010 176.600 -0.088 0.000 0.934 70 K CA -0.483 55.669 56.287 -0.224 0.000 0.801 70 K CB 1.999 34.261 32.500 -0.397 0.000 1.137 70 K HN 0.642 nan 8.250 nan 0.000 0.424 71 T N 0.308 114.865 114.554 0.005 0.000 2.885 71 T HA 0.838 3.543 4.350 -2.743 0.000 0.285 71 T C -0.568 174.314 174.700 0.303 0.000 1.019 71 T CA -0.848 61.329 62.100 0.128 0.000 1.010 71 T CB 0.987 69.884 68.868 0.048 0.000 1.022 71 T HN 0.163 nan 8.240 nan 0.000 0.466 72 L N 1.339 122.761 121.223 0.330 0.000 2.376 72 L HA 0.755 3.450 4.340 -2.743 0.000 0.258 72 L C -1.149 175.699 176.870 -0.035 0.000 1.013 72 L CA -1.025 53.932 54.840 0.195 0.000 0.822 72 L CB 2.050 44.191 42.059 0.136 0.000 1.388 72 L HN 0.718 nan 8.230 nan 0.000 0.413 73 L N 0.330 121.319 121.223 -0.389 0.000 2.333 73 L HA 0.694 3.388 4.340 -2.743 0.000 0.280 73 L C -0.291 176.539 176.870 -0.068 0.000 1.004 73 L CA 0.154 54.688 54.840 -0.509 0.000 0.820 73 L CB 1.839 43.250 42.059 -1.080 0.000 1.247 73 L HN 0.553 nan 8.230 nan 0.000 0.416 74 S N 3.397 119.165 115.700 0.113 0.000 2.499 74 S HA 0.627 3.451 4.470 -2.743 0.000 0.279 74 S C -0.848 173.984 174.600 0.386 0.000 1.219 74 S CA -0.459 57.915 58.200 0.290 0.000 1.062 74 S CB 1.076 64.538 63.200 0.436 0.000 0.978 74 S HN 0.624 nan 8.310 nan 0.000 0.489 75 V N 5.835 125.943 119.914 0.324 0.000 2.513 75 V HA 0.848 3.323 4.120 -2.743 0.000 0.299 75 V C 0.697 176.870 176.094 0.132 0.000 1.035 75 V CA 1.143 63.588 62.300 0.242 0.000 0.889 75 V CB 0.573 32.555 31.823 0.266 0.000 0.988 75 V HN 1.281 nan 8.190 nan 0.000 0.440 76 G N 4.272 112.948 108.800 -0.207 0.000 2.659 76 G HA2 0.470 2.784 3.960 -2.743 0.000 0.214 76 G HA3 0.470 2.784 3.960 -2.743 0.000 0.214 76 G C 0.778 175.309 174.900 -0.614 0.000 1.191 76 G CA 0.145 44.985 45.100 -0.432 0.000 1.141 76 G HN 2.694 nan 8.290 nan 0.000 0.581 77 G N -2.439 105.780 108.800 -0.968 0.000 2.525 77 G HA2 0.165 2.479 3.960 -2.743 0.000 0.685 77 G HA3 0.165 2.479 3.960 -2.743 0.000 0.685 77 G C 0.274 174.599 174.900 -0.958 0.000 1.290 77 G CA 0.519 44.410 45.100 -2.015 0.000 0.915 77 G HN 1.553 nan 8.290 nan 0.000 0.548 78 W N -0.130 120.824 121.300 -0.575 0.000 2.519 78 W HA 0.152 3.173 4.660 -2.731 0.000 0.266 78 W C 1.972 178.394 176.519 -0.162 0.000 1.253 78 W CA 0.743 57.928 57.345 -0.267 0.000 1.274 78 W CB 0.071 29.417 29.460 -0.190 0.000 1.114 78 W HN 0.403 nan 8.180 nan 0.000 0.596 79 N N -0.315 118.407 118.700 0.037 0.000 2.214 79 N HA 0.063 3.157 4.740 -2.743 0.000 0.214 79 N C -1.011 174.705 175.510 0.342 0.000 1.132 79 N CA -0.039 53.100 53.050 0.148 0.000 0.856 79 N CB -0.189 38.381 38.487 0.137 0.000 1.020 79 N HN 0.002 nan 8.380 nan 0.000 0.509 80 F N 1.456 121.476 119.950 0.117 0.000 2.332 80 F HA 0.516 3.396 4.527 -2.744 0.000 0.368 80 F C 0.909 176.725 175.800 0.027 0.000 1.110 80 F CA -1.098 56.988 58.000 0.142 0.000 1.087 80 F CB 0.592 39.677 39.000 0.141 0.000 1.235 80 F HN -0.049 nan 8.300 nan 0.000 0.470 81 G N 7.446 116.123 108.800 -0.205 0.000 2.224 81 G HA2 0.065 2.379 3.960 -2.743 0.000 0.239 81 G HA3 0.065 2.379 3.960 -2.743 0.000 0.239 81 G C -1.664 173.218 174.900 -0.030 0.000 1.240 81 G CA -0.857 44.169 45.100 -0.122 0.000 0.896 81 G HN 0.584 nan 8.290 nan 0.000 0.496 82 P HA -0.146 nan 4.420 nan 0.000 0.218 82 P C 1.355 178.746 177.300 0.152 0.000 1.149 82 P CA 1.411 64.648 63.100 0.229 0.000 0.817 82 P CB 0.277 32.148 31.700 0.286 0.000 0.785 83 E N 0.849 121.079 120.200 0.051 0.000 2.204 83 E HA -0.179 2.526 4.350 -2.743 0.000 0.195 83 E C 2.101 178.648 176.600 -0.088 0.000 0.990 83 E CA 1.025 57.431 56.400 0.009 0.000 0.821 83 E CB -0.478 29.209 29.700 -0.020 0.000 0.750 83 E HN 0.131 nan 8.360 nan 0.000 0.477 84 R N -0.609 119.775 120.500 -0.193 0.000 2.075 84 R HA -0.070 2.624 4.340 -2.743 0.000 0.232 84 R C 2.091 178.212 176.300 -0.299 0.000 1.126 84 R CA 1.364 57.262 56.100 -0.336 0.000 0.963 84 R CB -0.580 29.292 30.300 -0.714 0.000 0.858 84 R HN 0.249 nan 8.270 nan 0.000 0.435 85 F N 1.365 121.127 119.950 -0.313 0.000 2.102 85 F HA -0.179 2.724 4.527 -2.706 0.000 0.298 85 F C 2.813 178.186 175.800 -0.712 0.000 1.105 85 F CA 1.425 59.011 58.000 -0.689 0.000 1.239 85 F CB -0.467 37.611 39.000 -1.537 0.000 0.991 85 F HN -0.068 nan 8.300 nan 0.000 0.474 86 S N -0.237 115.328 115.700 -0.225 0.000 2.368 86 S HA -0.295 2.529 4.470 -2.743 0.000 0.226 86 S C 2.078 176.628 174.600 -0.084 0.000 1.044 86 S CA 1.901 60.108 58.200 0.010 0.000 1.062 86 S CB -0.247 63.046 63.200 0.155 0.000 0.931 86 S HN 0.257 nan 8.310 nan 0.000 0.440 87 K N 0.416 120.741 120.400 -0.125 0.000 2.044 87 K HA -0.082 2.592 4.320 -2.743 0.000 0.210 87 K C 1.927 178.425 176.600 -0.170 0.000 1.049 87 K CA 1.565 57.770 56.287 -0.137 0.000 0.927 87 K CB -0.283 32.128 32.500 -0.147 0.000 0.713 87 K HN 0.260 nan 8.250 nan 0.000 0.443 88 I N 0.815 121.243 120.570 -0.236 0.000 2.226 88 I HA -0.210 2.315 4.170 -2.743 0.000 0.245 88 I C 2.257 178.268 176.117 -0.178 0.000 1.100 88 I CA 1.364 62.514 61.300 -0.250 0.000 1.374 88 I CB -1.410 36.326 38.000 -0.441 0.000 1.057 88 I HN 0.134 nan 8.210 nan 0.000 0.413 89 A N 0.316 123.035 122.820 -0.168 0.000 1.929 89 A HA -0.117 2.557 4.320 -2.743 0.000 0.216 89 A C 2.355 179.859 177.584 -0.135 0.000 1.176 89 A CA 1.647 53.657 52.037 -0.045 0.000 0.628 89 A CB -0.775 18.291 19.000 0.109 0.000 0.816 89 A HN 0.516 nan 8.150 nan 0.000 0.444 90 S N -1.411 114.102 115.700 -0.312 0.000 2.607 90 S HA 0.135 2.959 4.470 -2.743 0.000 0.224 90 S C 0.617 174.991 174.600 -0.376 0.000 0.969 90 S CA 0.455 58.206 58.200 -0.750 0.000 0.927 90 S CB -0.154 62.651 63.200 -0.658 0.000 0.772 90 S HN 0.393 nan 8.310 nan 0.000 0.533 91 K N 2.220 122.503 120.400 -0.197 0.000 2.530 91 K HA 0.243 2.917 4.320 -2.743 0.000 0.230 91 K C 1.206 177.767 176.600 -0.066 0.000 1.002 91 K CA 0.058 56.279 56.287 -0.110 0.000 1.014 91 K CB 0.832 33.275 32.500 -0.094 0.000 1.286 91 K HN 0.237 nan 8.250 nan 0.000 0.480 92 T N 1.103 115.633 114.554 -0.040 0.000 2.714 92 T HA -0.346 2.359 4.350 -2.743 0.000 0.268 92 T C 1.508 176.204 174.700 -0.006 0.000 1.036 92 T CA 2.081 64.175 62.100 -0.010 0.000 1.148 92 T CB -0.149 68.722 68.868 0.005 0.000 0.856 92 T HN 0.724 nan 8.240 nan 0.000 0.462 93 Q N 1.498 121.290 119.800 -0.013 0.000 2.045 93 Q HA -0.137 2.558 4.340 -2.743 0.000 0.206 93 Q C 2.581 178.578 176.000 -0.006 0.000 0.991 93 Q CA 2.188 57.986 55.803 -0.009 0.000 0.851 93 Q CB -0.865 27.864 28.738 -0.014 0.000 0.911 93 Q HN 0.767 nan 8.270 nan 0.000 0.418 94 S N 0.267 115.956 115.700 -0.020 0.000 2.453 94 S HA -0.049 2.775 4.470 -2.743 0.000 0.231 94 S C 1.917 176.524 174.600 0.011 0.000 1.005 94 S CA 0.703 58.891 58.200 -0.020 0.000 0.949 94 S CB -0.115 63.050 63.200 -0.059 0.000 0.774 94 S HN 0.368 nan 8.310 nan 0.000 0.510 95 R N 1.361 121.870 120.500 0.015 0.000 2.062 95 R HA 0.156 2.851 4.340 -2.743 0.000 0.226 95 R C 2.607 178.963 176.300 0.093 0.000 1.125 95 R CA 0.614 56.754 56.100 0.066 0.000 0.966 95 R CB -0.120 30.207 30.300 0.044 0.000 0.861 95 R HN 0.276 nan 8.270 nan 0.000 0.433 96 R N -0.406 120.122 120.500 0.046 0.000 2.120 96 R HA -0.075 2.619 4.340 -2.743 0.000 0.234 96 R C 1.998 178.318 176.300 0.033 0.000 1.123 96 R CA 1.772 57.889 56.100 0.029 0.000 0.975 96 R CB -0.268 30.041 30.300 0.015 0.000 0.866 96 R HN 0.299 nan 8.270 nan 0.000 0.446 97 T N 0.945 115.528 114.554 0.048 0.000 2.737 97 T HA -0.143 2.562 4.350 -2.743 0.000 0.265 97 T C 1.365 176.114 174.700 0.081 0.000 1.038 97 T CA 1.225 63.354 62.100 0.049 0.000 1.144 97 T CB -0.326 68.566 68.868 0.040 0.000 0.866 97 T HN 0.177 nan 8.240 nan 0.000 0.434 98 F N 1.832 121.753 119.950 -0.048 0.000 2.069 98 F HA -0.043 2.836 4.527 -2.747 0.000 0.298 98 F C 1.972 177.754 175.800 -0.029 0.000 1.113 98 F CA 0.862 58.827 58.000 -0.059 0.000 1.214 98 F CB -0.698 38.248 39.000 -0.090 0.000 0.978 98 F HN 0.089 nan 8.300 nan 0.000 0.474 99 I N 0.181 120.654 120.570 -0.162 0.000 2.163 99 I HA -0.333 2.191 4.170 -2.743 0.000 0.243 99 I C 2.369 178.389 176.117 -0.163 0.000 1.085 99 I CA 1.728 62.870 61.300 -0.263 0.000 1.347 99 I CB -0.494 37.435 38.000 -0.118 0.000 1.044 99 I HN 0.066 nan 8.210 nan 0.000 0.408 100 K N 0.608 120.966 120.400 -0.070 0.000 2.280 100 K HA -0.141 2.534 4.320 -2.743 0.000 0.202 100 K C 2.143 178.733 176.600 -0.017 0.000 1.047 100 K CA 1.444 57.718 56.287 -0.023 0.000 0.942 100 K CB -0.095 32.404 32.500 -0.001 0.000 0.739 100 K HN 0.399 nan 8.250 nan 0.000 0.457 101 S N -1.040 114.628 115.700 -0.054 0.000 2.470 101 S HA -0.028 2.796 4.470 -2.743 0.000 0.225 101 S C 1.851 176.439 174.600 -0.020 0.000 1.006 101 S CA 0.531 58.716 58.200 -0.025 0.000 0.934 101 S CB -0.105 63.078 63.200 -0.028 0.000 0.778 101 S HN -0.003 nan 8.310 nan 0.000 0.517 102 V N 3.166 123.019 119.914 -0.102 0.000 2.244 102 V HA -0.027 2.448 4.120 -2.743 0.000 0.244 102 V C -0.247 175.926 176.094 0.131 0.000 1.042 102 V CA 1.828 64.116 62.300 -0.021 0.000 1.006 102 V CB -1.706 30.053 31.823 -0.106 0.000 0.641 102 V HN 0.349 nan 8.190 nan 0.000 0.446 103 P HA -0.145 nan 4.420 nan 0.000 0.215 103 P C -1.357 175.985 177.300 0.070 0.000 1.163 103 P CA 2.222 65.368 63.100 0.077 0.000 0.894 103 P CB -1.315 30.435 31.700 0.083 0.000 0.791 104 P HA -0.188 nan 4.420 nan 0.000 0.216 104 P C 1.505 178.877 177.300 0.119 0.000 1.150 104 P CA 1.176 64.325 63.100 0.081 0.000 0.843 104 P CB -0.523 31.232 31.700 0.093 0.000 0.787 105 F N -0.311 119.669 119.950 0.051 0.000 2.102 105 F HA -0.159 2.722 4.527 -2.743 0.000 0.298 105 F C 1.933 177.837 175.800 0.174 0.000 1.105 105 F CA 1.362 59.440 58.000 0.131 0.000 1.239 105 F CB -0.872 38.215 39.000 0.146 0.000 0.991 105 F HN -0.250 nan 8.300 nan 0.000 0.474 106 L N 0.061 121.410 121.223 0.211 0.000 2.027 106 L HA -0.151 2.544 4.340 -2.743 0.000 0.206 106 L C 2.508 179.406 176.870 0.048 0.000 1.074 106 L CA 1.567 56.498 54.840 0.151 0.000 0.745 106 L CB -1.253 40.862 42.059 0.094 0.000 0.898 106 L HN -0.031 nan 8.230 nan 0.000 0.433 107 R N -0.921 119.571 120.500 -0.012 0.000 2.091 107 R HA -0.128 2.567 4.340 -2.743 0.000 0.238 107 R C 2.253 178.481 176.300 -0.120 0.000 1.136 107 R CA 1.829 57.892 56.100 -0.062 0.000 0.959 107 R CB -0.950 29.317 30.300 -0.054 0.000 0.856 107 R HN 0.314 nan 8.270 nan 0.000 0.437 108 T N -0.294 114.149 114.554 -0.185 0.000 2.788 108 T HA -0.095 2.609 4.350 -2.743 0.000 0.268 108 T C 0.922 175.340 174.700 -0.471 0.000 1.044 108 T CA 1.267 63.158 62.100 -0.348 0.000 1.139 108 T CB -0.183 68.385 68.868 -0.499 0.000 0.867 108 T HN 0.357 nan 8.240 nan 0.000 0.454 109 H N -0.472 118.483 119.070 -0.191 0.000 2.586 109 H HA 0.364 3.275 4.556 -2.743 0.000 0.273 109 H C 1.735 176.864 175.328 -0.331 0.000 0.997 109 H CA 0.447 56.370 56.048 -0.209 0.000 1.177 109 H CB 0.291 29.934 29.762 -0.197 0.000 1.471 109 H HN 0.491 nan 8.280 nan 0.000 0.538 110 G N 1.037 109.725 108.800 -0.185 0.000 2.149 110 G HA2 -0.264 2.050 3.960 -2.743 0.000 0.235 110 G HA3 -0.264 2.050 3.960 -2.743 0.000 0.235 110 G C -0.242 174.443 174.900 -0.359 0.000 1.018 110 G CA -0.195 44.748 45.100 -0.263 0.000 0.728 110 G HN 0.171 nan 8.290 nan 0.000 0.508 111 F N 0.250 120.120 119.950 -0.134 0.000 2.378 111 F HA 0.470 3.354 4.527 -2.739 0.000 0.325 111 F C 1.335 177.072 175.800 -0.106 0.000 1.097 111 F CA -0.465 57.461 58.000 -0.123 0.000 1.079 111 F CB 0.917 39.837 39.000 -0.133 0.000 1.240 111 F HN 0.017 nan 8.300 nan 0.000 0.519 112 D N 0.450 120.933 120.400 0.139 0.000 2.398 112 D HA 0.287 3.281 4.640 -2.743 0.000 0.210 112 D C 0.584 176.893 176.300 0.015 0.000 1.094 112 D CA 0.374 54.395 54.000 0.035 0.000 0.839 112 D CB 0.977 41.791 40.800 0.024 0.000 0.963 112 D HN 0.639 nan 8.370 nan 0.000 0.506 113 G N 0.732 109.562 108.800 0.050 0.000 2.349 113 G HA2 0.398 2.712 3.960 -2.743 0.000 0.294 113 G HA3 0.398 2.712 3.960 -2.743 0.000 0.294 113 G C -2.362 172.564 174.900 0.043 0.000 1.380 113 G CA -0.796 44.307 45.100 0.004 0.000 0.811 113 G HN 0.052 nan 8.290 nan 0.000 0.519 114 L N 0.046 121.340 121.223 0.119 0.000 2.362 114 L HA 0.867 3.561 4.340 -2.743 0.000 0.271 114 L C -1.382 175.557 176.870 0.114 0.000 1.002 114 L CA -0.631 54.288 54.840 0.131 0.000 0.818 114 L CB 2.347 44.555 42.059 0.248 0.000 1.298 114 L HN 0.618 nan 8.230 nan 0.000 0.420 115 D N 3.425 123.891 120.400 0.111 0.000 2.408 115 D HA 0.404 3.398 4.640 -2.743 0.000 0.243 115 D C -1.267 175.142 176.300 0.182 0.000 1.075 115 D CA -0.145 53.926 54.000 0.120 0.000 0.832 115 D CB 1.175 42.066 40.800 0.151 0.000 1.162 115 D HN 0.550 nan 8.370 nan 0.000 0.515 116 L N 3.184 124.494 121.223 0.145 0.000 2.260 116 L HA 0.567 3.262 4.340 -2.743 0.000 0.289 116 L C 0.334 177.253 176.870 0.082 0.000 1.057 116 L CA -0.665 54.256 54.840 0.135 0.000 0.811 116 L CB 1.395 43.522 42.059 0.113 0.000 1.184 116 L HN 0.584 nan 8.230 nan 0.000 0.429 117 A N 4.242 127.087 122.820 0.041 0.000 3.219 117 A HA 0.119 2.793 4.320 -2.743 0.000 0.314 117 A C -0.482 176.940 177.584 -0.270 0.000 1.081 117 A CA -0.493 51.507 52.037 -0.063 0.000 0.995 117 A CB -0.134 18.910 19.000 0.073 0.000 1.067 117 A HN 0.752 nan 8.150 nan 0.000 0.533 118 W N 2.594 123.520 121.300 -0.623 0.000 2.745 118 W HA 0.238 3.292 4.660 -2.676 0.000 0.370 118 W C -0.731 175.478 176.519 -0.518 0.000 1.274 118 W CA -0.693 56.139 57.345 -0.854 0.000 1.502 118 W CB -0.194 28.678 29.460 -0.980 0.000 1.589 118 W HN 0.359 nan 8.180 nan 0.000 0.482 119 L N 9.220 130.310 121.223 -0.222 0.000 2.505 119 L HA 0.013 2.708 4.340 -2.743 0.000 0.279 119 L C -0.288 176.301 176.870 -0.469 0.000 1.211 119 L CA 0.041 54.475 54.840 -0.676 0.000 1.059 119 L CB -1.119 40.321 42.059 -1.032 0.000 1.340 119 L HN 0.411 nan 8.230 nan 0.000 0.447 120 Y N 1.680 121.927 120.300 -0.089 0.000 2.805 120 Y HA -0.148 2.720 4.550 -2.803 0.000 0.044 120 Y C -2.140 173.566 175.900 -0.323 0.000 2.040 120 Y CA -1.183 56.819 58.100 -0.163 0.000 1.187 120 Y CB -1.035 37.408 38.460 -0.028 0.000 1.859 120 Y HN 0.470 nan 8.280 nan 0.000 0.293 121 P HA 0.318 nan 4.420 nan 0.000 0.282 121 P C 0.442 177.488 177.300 -0.424 0.000 1.249 121 P CA 0.161 62.729 63.100 -0.887 0.000 0.806 121 P CB 1.599 32.340 31.700 -1.598 0.000 0.984 122 G N 1.284 109.956 108.800 -0.212 0.000 2.642 122 G HA2 0.214 2.528 3.960 -2.743 0.000 0.291 122 G HA3 0.214 2.528 3.960 -2.743 0.000 0.291 122 G C 0.915 175.731 174.900 -0.141 0.000 1.345 122 G CA -0.624 44.400 45.100 -0.127 0.000 1.043 122 G HN 0.469 nan 8.290 nan 0.000 0.528 123 R N -0.751 119.695 120.500 -0.090 0.000 2.105 123 R HA -0.046 2.649 4.340 -2.743 0.000 0.239 123 R C 2.246 178.501 176.300 -0.075 0.000 1.135 123 R CA 1.368 57.419 56.100 -0.083 0.000 0.967 123 R CB -0.118 30.150 30.300 -0.054 0.000 0.861 123 R HN 0.457 nan 8.270 nan 0.000 0.442 124 R N -0.209 120.269 120.500 -0.037 0.000 2.313 124 R HA -0.022 2.672 4.340 -2.743 0.000 0.199 124 R C 0.203 176.516 176.300 0.023 0.000 0.958 124 R CA 0.657 56.754 56.100 -0.006 0.000 1.047 124 R CB 0.339 30.661 30.300 0.037 0.000 0.955 124 R HN 0.310 nan 8.270 nan 0.000 0.481 125 D N -0.624 119.762 120.400 -0.024 0.000 2.423 125 D HA -0.066 2.928 4.640 -2.743 0.000 0.212 125 D C 1.224 177.437 176.300 -0.145 0.000 1.060 125 D CA 0.119 54.136 54.000 0.029 0.000 0.872 125 D CB 0.244 41.041 40.800 -0.005 0.000 1.012 125 D HN 0.110 nan 8.370 nan 0.000 0.503 126 K N 1.732 121.993 120.400 -0.233 0.000 2.015 126 K HA -0.235 2.440 4.320 -2.743 0.000 0.220 126 K C 2.109 178.599 176.600 -0.183 0.000 1.055 126 K CA 1.367 57.511 56.287 -0.238 0.000 0.951 126 K CB 0.092 32.481 32.500 -0.185 0.000 0.725 126 K HN -0.107 nan 8.250 nan 0.000 0.449 127 R N -0.165 120.196 120.500 -0.233 0.000 2.117 127 R HA -0.185 2.509 4.340 -2.743 0.000 0.243 127 R C 2.021 178.233 176.300 -0.147 0.000 1.143 127 R CA 2.256 58.221 56.100 -0.225 0.000 0.968 127 R CB -0.337 29.763 30.300 -0.332 0.000 0.863 127 R HN 0.581 nan 8.270 nan 0.000 0.444 128 H N -0.493 118.601 119.070 0.041 0.000 2.403 128 H HA -0.032 2.877 4.556 -2.745 0.000 0.298 128 H C 2.008 177.432 175.328 0.160 0.000 1.059 128 H CA 0.642 56.757 56.048 0.112 0.000 1.363 128 H CB 0.081 29.950 29.762 0.177 0.000 1.410 128 H HN 0.079 nan 8.280 nan 0.000 0.528 129 L N 0.980 122.312 121.223 0.181 0.000 2.083 129 L HA -0.171 2.524 4.340 -2.743 0.000 0.209 129 L C 1.524 178.463 176.870 0.115 0.000 1.083 129 L CA 1.791 56.712 54.840 0.135 0.000 0.752 129 L CB -0.682 41.218 42.059 -0.265 0.000 0.899 129 L HN 0.312 nan 8.230 nan 0.000 0.433 130 T N 0.529 115.118 114.554 0.059 0.000 2.746 130 T HA -0.123 2.582 4.350 -2.743 0.000 0.267 130 T C 1.982 176.720 174.700 0.063 0.000 1.039 130 T CA 1.374 63.510 62.100 0.060 0.000 1.142 130 T CB -0.302 68.588 68.868 0.036 0.000 0.866 130 T HN 0.550 nan 8.240 nan 0.000 0.444 131 A N 1.396 124.268 122.820 0.087 0.000 1.873 131 A HA 0.008 2.682 4.320 -2.743 0.000 0.215 131 A C 2.246 179.866 177.584 0.061 0.000 1.186 131 A CA 1.271 53.351 52.037 0.072 0.000 0.616 131 A CB -0.853 18.218 19.000 0.119 0.000 0.823 131 A HN 0.401 nan 8.150 nan 0.000 0.442 132 L N 0.048 121.347 121.223 0.127 0.000 2.012 132 L HA -0.146 2.549 4.340 -2.743 0.000 0.210 132 L C 2.378 179.282 176.870 0.057 0.000 1.073 132 L CA 2.130 57.053 54.840 0.139 0.000 0.748 132 L CB -0.603 41.614 42.059 0.262 0.000 0.891 132 L HN 0.159 nan 8.230 nan 0.000 0.431 133 V N -0.247 119.696 119.914 0.049 0.000 2.270 133 V HA -0.287 2.188 4.120 -2.743 0.000 0.245 133 V C 2.658 178.673 176.094 -0.132 0.000 1.043 133 V CA 2.091 64.384 62.300 -0.011 0.000 1.014 133 V CB -0.685 31.168 31.823 0.051 0.000 0.645 133 V HN 0.498 nan 8.190 nan 0.000 0.447 134 K N -0.064 120.223 120.400 -0.187 0.000 2.020 134 K HA -0.264 2.411 4.320 -2.743 0.000 0.212 134 K C 2.207 178.626 176.600 -0.302 0.000 1.050 134 K CA 2.256 58.279 56.287 -0.441 0.000 0.929 134 K CB -0.159 32.166 32.500 -0.292 0.000 0.714 134 K HN 0.532 nan 8.250 nan 0.000 0.443 135 E N -0.045 120.054 120.200 -0.168 0.000 2.106 135 E HA -0.198 2.506 4.350 -2.743 0.000 0.192 135 E C 1.917 178.409 176.600 -0.181 0.000 0.984 135 E CA 1.269 57.592 56.400 -0.129 0.000 0.806 135 E CB -0.040 29.623 29.700 -0.061 0.000 0.750 135 E HN 0.216 nan 8.360 nan 0.000 0.458 136 M N 1.092 120.555 119.600 -0.228 0.000 2.117 136 M HA -0.167 2.668 4.480 -2.743 0.000 0.262 136 M C 1.973 177.881 176.300 -0.653 0.000 1.065 136 M CA 1.637 56.677 55.300 -0.433 0.000 1.114 136 M CB 0.067 32.427 32.600 -0.401 0.000 1.361 136 M HN -0.208 nan 8.290 nan 0.000 0.408 137 K N 0.131 120.285 120.400 -0.411 0.000 2.097 137 K HA 0.084 2.758 4.320 -2.743 0.000 0.205 137 K C 1.762 178.298 176.600 -0.107 0.000 1.050 137 K CA 1.599 57.736 56.287 -0.249 0.000 0.938 137 K CB -0.610 31.835 32.500 -0.092 0.000 0.718 137 K HN 0.370 nan 8.250 nan 0.000 0.442 138 A N 0.667 123.407 122.820 -0.133 0.000 1.902 138 A HA -0.186 2.488 4.320 -2.743 0.000 0.217 138 A C 2.132 179.710 177.584 -0.011 0.000 1.181 138 A CA 2.012 54.015 52.037 -0.057 0.000 0.623 138 A CB -0.738 18.216 19.000 -0.077 0.000 0.818 138 A HN 0.491 nan 8.150 nan 0.000 0.443 139 E N -0.644 119.525 120.200 -0.053 0.000 2.110 139 E HA -0.141 2.563 4.350 -2.743 0.000 0.193 139 E C 1.559 178.283 176.600 0.207 0.000 0.988 139 E CA 1.174 57.591 56.400 0.029 0.000 0.804 139 E CB -0.410 29.272 29.700 -0.030 0.000 0.745 139 E HN 0.505 nan 8.360 nan 0.000 0.458 140 F N 0.394 120.337 119.950 -0.012 0.000 2.216 140 F HA 0.041 2.922 4.527 -2.742 0.000 0.300 140 F C 2.286 178.090 175.800 0.006 0.000 1.085 140 F CA 0.831 58.830 58.000 -0.002 0.000 1.326 140 F CB -1.396 37.606 39.000 0.003 0.000 1.027 140 F HN 0.162 nan 8.300 nan 0.000 0.497 141 A N 0.027 122.966 122.820 0.199 0.000 1.855 141 A HA -0.194 2.480 4.320 -2.743 0.000 0.215 141 A C 2.392 180.027 177.584 0.084 0.000 1.191 141 A CA 1.572 53.679 52.037 0.116 0.000 0.613 141 A CB -0.789 18.263 19.000 0.086 0.000 0.829 141 A HN 0.226 nan 8.150 nan 0.000 0.442 142 R N -0.584 119.963 120.500 0.077 0.000 2.094 142 R HA -0.182 2.513 4.340 -2.743 0.000 0.239 142 R C 2.247 178.579 176.300 0.053 0.000 1.137 142 R CA 1.723 57.856 56.100 0.056 0.000 0.943 142 R CB -0.250 30.080 30.300 0.050 0.000 0.850 142 R HN 0.590 nan 8.270 nan 0.000 0.433 143 E N 0.045 120.288 120.200 0.072 0.000 2.401 143 E HA -0.147 2.557 4.350 -2.743 0.000 0.199 143 E C 1.141 177.753 176.600 0.021 0.000 1.023 143 E CA 1.127 57.556 56.400 0.048 0.000 0.859 143 E CB 0.086 29.823 29.700 0.063 0.000 0.780 143 E HN 0.444 nan 8.360 nan 0.000 0.523 144 A N 0.068 122.904 122.820 0.027 0.000 2.218 144 A HA -0.016 2.658 4.320 -2.743 0.000 0.209 144 A C 1.908 179.499 177.584 0.011 0.000 1.168 144 A CA 0.206 52.249 52.037 0.011 0.000 0.804 144 A CB -0.089 18.922 19.000 0.019 0.000 0.834 144 A HN 0.194 nan 8.150 nan 0.000 0.482 145 Q N -0.406 119.405 119.800 0.018 0.000 2.226 145 Q HA -0.040 2.654 4.340 -2.743 0.000 0.204 145 Q C 1.920 177.925 176.000 0.007 0.000 0.975 145 Q CA 1.051 56.862 55.803 0.014 0.000 0.866 145 Q CB -0.299 28.449 28.738 0.017 0.000 0.915 145 Q HN 0.666 nan 8.270 nan 0.000 0.440 146 A N -0.120 122.703 122.820 0.005 0.000 2.264 146 A HA 0.173 2.848 4.320 -2.743 0.000 0.207 146 A C 1.513 179.093 177.584 -0.006 0.000 1.196 146 A CA 0.891 52.927 52.037 -0.001 0.000 0.778 146 A CB -0.746 18.253 19.000 -0.003 0.000 0.779 146 A HN 0.497 nan 8.150 nan 0.000 0.483 147 G N -1.796 107.001 108.800 -0.005 0.000 2.225 147 G HA2 -0.261 2.053 3.960 -2.743 0.000 0.254 147 G HA3 -0.261 2.053 3.960 -2.743 0.000 0.254 147 G C 0.646 175.538 174.900 -0.014 0.000 0.988 147 G CA 0.765 45.861 45.100 -0.008 0.000 0.625 147 G HN 0.849 nan 8.290 nan 0.000 0.527 148 T N 0.140 114.682 114.554 -0.019 0.000 2.816 148 T HA 0.482 3.186 4.350 -2.743 0.000 0.282 148 T C 0.393 175.076 174.700 -0.028 0.000 0.993 148 T CA 0.219 62.302 62.100 -0.028 0.000 0.994 148 T CB 1.020 69.866 68.868 -0.037 0.000 1.025 148 T HN 0.359 nan 8.240 nan 0.000 0.529 149 E N 1.119 121.298 120.200 -0.035 0.000 2.354 149 E HA 0.176 2.880 4.350 -2.743 0.000 0.269 149 E C 0.068 176.643 176.600 -0.042 0.000 1.036 149 E CA -0.395 55.987 56.400 -0.030 0.000 0.876 149 E CB 0.529 30.211 29.700 -0.030 0.000 1.009 149 E HN 0.377 nan 8.360 nan 0.000 0.416 150 R N 3.687 124.173 120.500 -0.022 0.000 2.502 150 R HA 0.010 2.704 4.340 -2.743 0.000 0.292 150 R C -0.287 175.968 176.300 -0.075 0.000 0.998 150 R CA -0.046 56.038 56.100 -0.027 0.000 1.056 150 R CB 0.221 30.538 30.300 0.028 0.000 0.939 150 R HN 0.520 nan 8.270 nan 0.000 0.411 151 L N 5.421 126.515 121.223 -0.216 0.000 2.439 151 L HA 0.121 2.815 4.340 -2.743 0.000 0.269 151 L C 0.252 177.018 176.870 -0.173 0.000 1.179 151 L CA -0.119 54.508 54.840 -0.355 0.000 0.828 151 L CB 0.507 42.022 42.059 -0.905 0.000 1.106 151 L HN 0.483 nan 8.230 nan 0.000 0.467 152 L N 3.343 124.541 121.223 -0.042 0.000 2.399 152 L HA 0.418 3.112 4.340 -2.743 0.000 0.266 152 L C -0.448 176.520 176.870 0.163 0.000 1.114 152 L CA -0.475 54.424 54.840 0.097 0.000 0.804 152 L CB 1.315 43.468 42.059 0.157 0.000 1.146 152 L HN 0.371 nan 8.230 nan 0.000 0.451 153 L N 2.218 123.527 121.223 0.145 0.000 2.409 153 L HA 0.666 3.360 4.340 -2.743 0.000 0.272 153 L C -0.403 176.375 176.870 -0.153 0.000 0.980 153 L CA 0.140 55.058 54.840 0.130 0.000 0.826 153 L CB 1.860 44.030 42.059 0.185 0.000 1.268 153 L HN 0.734 nan 8.230 nan 0.000 0.407 154 S N 3.311 118.881 115.700 -0.216 0.000 2.651 154 S HA 1.039 3.863 4.470 -2.743 0.000 0.279 154 S C -0.913 173.614 174.600 -0.122 0.000 1.148 154 S CA -0.276 57.687 58.200 -0.396 0.000 0.837 154 S CB 1.744 64.370 63.200 -0.956 0.000 1.138 154 S HN 1.286 nan 8.310 nan 0.000 0.478 155 A N 0.175 122.953 122.820 -0.070 0.000 2.486 155 A HA 0.897 3.571 4.320 -2.743 0.000 0.300 155 A C -0.460 177.174 177.584 0.083 0.000 1.048 155 A CA -0.538 51.520 52.037 0.037 0.000 0.696 155 A CB 1.333 20.359 19.000 0.043 0.000 1.278 155 A HN 1.817 nan 8.150 nan 0.000 0.405 156 A N 1.524 124.410 122.820 0.111 0.000 2.252 156 A HA 0.619 3.293 4.320 -2.743 0.000 0.309 156 A C -0.488 177.110 177.584 0.024 0.000 1.285 156 A CA -0.305 51.798 52.037 0.111 0.000 0.900 156 A CB 0.117 19.184 19.000 0.112 0.000 1.157 156 A HN 1.136 nan 8.150 nan 0.000 0.536 157 V N 2.490 122.382 119.914 -0.036 0.000 2.513 157 V HA 0.405 2.879 4.120 -2.743 0.000 0.299 157 V C 0.946 176.947 176.094 -0.156 0.000 1.035 157 V CA -0.519 61.663 62.300 -0.197 0.000 0.889 157 V CB 1.844 33.418 31.823 -0.416 0.000 0.988 157 V HN 1.019 nan 8.190 nan 0.000 0.440 158 S N 3.130 118.777 115.700 -0.088 0.000 2.559 158 S HA 0.255 3.079 4.470 -2.743 0.000 0.282 158 S C 0.940 175.460 174.600 -0.135 0.000 1.336 158 S CA 0.360 58.541 58.200 -0.031 0.000 1.037 158 S CB 0.913 64.073 63.200 -0.066 0.000 0.853 158 S HN 1.137 nan 8.310 nan 0.000 0.523 159 A N 3.508 126.253 122.820 -0.126 0.000 2.503 159 A HA 0.511 3.186 4.320 -2.743 0.000 0.263 159 A C 0.736 178.419 177.584 0.165 0.000 1.258 159 A CA 0.110 52.139 52.037 -0.013 0.000 0.936 159 A CB -0.251 18.702 19.000 -0.078 0.000 1.070 159 A HN 0.951 nan 8.150 nan 0.000 0.522 160 G N -0.266 108.572 108.800 0.062 0.000 2.322 160 G HA2 0.380 2.694 3.960 -2.743 0.000 0.309 160 G HA3 0.380 2.694 3.960 -2.743 0.000 0.309 160 G C 0.610 175.553 174.900 0.071 0.000 1.121 160 G CA -0.234 44.951 45.100 0.141 0.000 0.886 160 G HN 0.305 nan 8.290 nan 0.000 0.447 161 K N 2.359 122.774 120.400 0.026 0.000 2.034 161 K HA -0.170 2.505 4.320 -2.743 0.000 0.214 161 K C 1.997 178.535 176.600 -0.102 0.000 1.051 161 K CA 1.222 57.416 56.287 -0.154 0.000 0.931 161 K CB -0.087 32.061 32.500 -0.586 0.000 0.715 161 K HN 0.458 nan 8.250 nan 0.000 0.446 162 I N 1.202 121.705 120.570 -0.111 0.000 2.226 162 I HA -0.225 2.300 4.170 -2.743 0.000 0.245 162 I C 2.507 178.602 176.117 -0.037 0.000 1.100 162 I CA 1.531 62.787 61.300 -0.074 0.000 1.374 162 I CB -1.429 36.535 38.000 -0.061 0.000 1.057 162 I HN 0.306 nan 8.210 nan 0.000 0.413 163 A N 0.871 123.667 122.820 -0.040 0.000 1.898 163 A HA -0.154 2.521 4.320 -2.743 0.000 0.216 163 A C 2.334 179.976 177.584 0.095 0.000 1.181 163 A CA 1.288 53.298 52.037 -0.044 0.000 0.620 163 A CB -0.647 18.251 19.000 -0.169 0.000 0.819 163 A HN 0.390 nan 8.150 nan 0.000 0.442 164 I N -0.213 120.435 120.570 0.130 0.000 2.252 164 I HA -0.207 2.317 4.170 -2.743 0.000 0.245 164 I C 1.783 178.024 176.117 0.207 0.000 1.102 164 I CA 1.379 62.816 61.300 0.228 0.000 1.385 164 I CB -0.494 37.622 38.000 0.194 0.000 1.064 164 I HN 0.219 nan 8.210 nan 0.000 0.414 165 D N 0.683 121.167 120.400 0.140 0.000 2.144 165 D HA -0.137 2.858 4.640 -2.743 0.000 0.199 165 D C 2.298 178.615 176.300 0.029 0.000 0.984 165 D CA 0.995 55.049 54.000 0.090 0.000 0.834 165 D CB -0.210 40.629 40.800 0.065 0.000 0.955 165 D HN 0.240 nan 8.370 nan 0.000 0.465 166 R N -0.169 120.333 120.500 0.002 0.000 2.070 166 R HA -0.059 2.635 4.340 -2.743 0.000 0.233 166 R C 1.949 178.179 176.300 -0.116 0.000 1.137 166 R CA 1.541 57.609 56.100 -0.053 0.000 0.945 166 R CB -0.210 30.049 30.300 -0.068 0.000 0.845 166 R HN 0.179 nan 8.270 nan 0.000 0.430 167 G N -1.873 106.816 108.800 -0.186 0.000 3.228 167 G HA2 0.106 2.421 3.960 -2.743 0.000 0.245 167 G HA3 0.106 2.421 3.960 -2.743 0.000 0.245 167 G C -0.431 174.119 174.900 -0.583 0.000 1.051 167 G CA -0.238 44.596 45.100 -0.444 0.000 0.809 167 G HN 0.116 nan 8.290 nan 0.000 0.531 168 Y N 0.095 120.314 120.300 -0.135 0.000 2.409 168 Y HA 0.463 4.998 4.550 -0.026 0.000 0.343 168 Y C -0.861 174.983 175.900 -0.092 0.000 0.973 168 Y CA -1.487 56.539 58.100 -0.124 0.000 1.064 168 Y CB 2.196 40.593 38.460 -0.105 0.000 1.207 168 Y HN -0.119 nan 8.280 nan 0.000 0.452 169 D N 3.551 123.992 120.400 0.069 0.000 2.557 169 D HA 0.166 3.160 4.640 -2.743 0.000 0.236 169 D C 0.859 177.178 176.300 0.032 0.000 1.154 169 D CA 0.055 54.068 54.000 0.023 0.000 0.985 169 D CB 0.339 41.139 40.800 0.000 0.000 1.010 169 D HN 0.494 nan 8.370 nan 0.000 0.516 170 I N 1.856 122.436 120.570 0.016 0.000 2.335 170 I HA -0.239 2.285 4.170 -2.743 0.000 0.251 170 I C 2.181 178.276 176.117 -0.037 0.000 1.129 170 I CA 0.803 62.090 61.300 -0.022 0.000 1.402 170 I CB -0.988 36.964 38.000 -0.079 0.000 1.069 170 I HN 0.339 nan 8.210 nan 0.000 0.424 171 A N 0.120 122.913 122.820 -0.045 0.000 1.902 171 A HA -0.212 2.462 4.320 -2.743 0.000 0.217 171 A C 2.214 179.774 177.584 -0.040 0.000 1.181 171 A CA 1.254 53.261 52.037 -0.050 0.000 0.623 171 A CB -0.356 18.615 19.000 -0.050 0.000 0.818 171 A HN 0.433 nan 8.150 nan 0.000 0.443 172 Q N -0.120 119.673 119.800 -0.013 0.000 1.946 172 Q HA -0.131 2.564 4.340 -2.743 0.000 0.199 172 Q C 2.339 178.361 176.000 0.037 0.000 0.979 172 Q CA 1.627 57.438 55.803 0.013 0.000 0.834 172 Q CB -0.769 28.000 28.738 0.052 0.000 0.899 172 Q HN 0.904 nan 8.270 nan 0.000 0.431 173 I N -0.037 120.577 120.570 0.073 0.000 2.399 173 I HA -0.240 2.284 4.170 -2.743 0.000 0.254 173 I C 2.290 178.440 176.117 0.056 0.000 1.146 173 I CA 1.925 63.286 61.300 0.102 0.000 1.412 173 I CB -0.589 37.468 38.000 0.094 0.000 1.076 173 I HN 0.059 nan 8.210 nan 0.000 0.432 174 S N 1.925 117.626 115.700 0.002 0.000 2.489 174 S HA -0.135 2.689 4.470 -2.743 0.000 0.228 174 S C 2.155 176.725 174.600 -0.049 0.000 0.995 174 S CA 0.610 58.801 58.200 -0.014 0.000 0.934 174 S CB -0.572 62.614 63.200 -0.024 0.000 0.771 174 S HN 0.767 nan 8.310 nan 0.000 0.522 175 R N -0.057 120.363 120.500 -0.132 0.000 2.275 175 R HA 0.099 2.793 4.340 -2.743 0.000 0.199 175 R C 1.416 177.517 176.300 -0.332 0.000 0.989 175 R CA 0.970 56.922 56.100 -0.246 0.000 1.016 175 R CB -0.309 29.788 30.300 -0.338 0.000 0.918 175 R HN 0.468 nan 8.270 nan 0.000 0.473 176 H N -0.429 118.646 119.070 0.009 0.000 2.855 176 H HA 0.274 3.181 4.556 -2.748 0.000 0.259 176 H C 0.238 175.570 175.328 0.006 0.000 0.972 176 H CA -0.099 55.953 56.048 0.008 0.000 1.213 176 H CB 0.579 30.341 29.762 -0.000 0.000 1.451 176 H HN 0.074 nan 8.280 nan 0.000 0.484 177 L N 1.293 122.574 121.223 0.096 0.000 2.379 177 L HA 0.109 2.804 4.340 -2.743 0.000 0.269 177 L C 1.204 178.090 176.870 0.027 0.000 1.084 177 L CA -0.351 54.509 54.840 0.034 0.000 0.802 177 L CB 1.226 43.284 42.059 -0.003 0.000 1.175 177 L HN -0.021 nan 8.230 nan 0.000 0.448 178 D N 1.403 121.793 120.400 -0.017 0.000 2.234 178 D HA 0.027 3.021 4.640 -2.743 0.000 0.205 178 D C -0.248 176.176 176.300 0.207 0.000 0.962 178 D CA 1.330 55.375 54.000 0.074 0.000 0.855 178 D CB 0.331 41.187 40.800 0.093 0.000 0.951 178 D HN 0.338 nan 8.370 nan 0.000 0.500 179 F N -1.506 118.466 119.950 0.036 0.000 2.744 179 F HA 0.484 3.363 4.527 -2.747 0.000 0.311 179 F C -1.767 174.052 175.800 0.031 0.000 1.144 179 F CA -1.385 56.625 58.000 0.017 0.000 0.938 179 F CB 0.859 39.848 39.000 -0.018 0.000 1.292 179 F HN -0.388 nan 8.300 nan 0.000 0.444 180 I N 1.981 122.716 120.570 0.274 0.000 2.439 180 I HA 0.371 2.896 4.170 -2.743 0.000 0.285 180 I C -0.732 175.510 176.117 0.209 0.000 1.021 180 I CA -0.805 60.589 61.300 0.157 0.000 1.091 180 I CB 2.112 40.148 38.000 0.060 0.000 1.242 180 I HN 0.606 nan 8.210 nan 0.000 0.439 181 S N 6.868 122.706 115.700 0.230 0.000 2.439 181 S HA 0.408 3.233 4.470 -2.743 0.000 0.282 181 S C -0.080 174.589 174.600 0.116 0.000 1.170 181 S CA -0.493 57.847 58.200 0.234 0.000 1.054 181 S CB 0.467 63.881 63.200 0.357 0.000 0.956 181 S HN 0.393 nan 8.310 nan 0.000 0.490 182 L N 4.517 125.789 121.223 0.080 0.000 2.313 182 L HA 0.264 2.959 4.340 -2.743 0.000 0.282 182 L C 0.161 176.987 176.870 -0.073 0.000 1.092 182 L CA -0.337 54.505 54.840 0.004 0.000 0.831 182 L CB 0.533 42.615 42.059 0.037 0.000 1.159 182 L HN 0.611 nan 8.230 nan 0.000 0.442 183 L N 4.395 125.505 121.223 -0.189 0.000 2.650 183 L HA 0.012 2.707 4.340 -2.743 0.000 0.239 183 L C 1.136 177.602 176.870 -0.673 0.000 1.412 183 L CA -0.164 54.374 54.840 -0.503 0.000 1.219 183 L CB -0.769 41.088 42.059 -0.337 0.000 1.534 183 L HN 0.681 nan 8.230 nan 0.000 0.430 184 T N -2.700 111.614 114.554 -0.399 0.000 4.096 184 T HA -0.032 2.673 4.350 -2.743 0.000 0.241 184 T C 0.373 175.026 174.700 -0.078 0.000 0.869 184 T CA -0.085 61.907 62.100 -0.181 0.000 0.909 184 T CB -0.850 68.102 68.868 0.141 0.000 1.260 184 T HN 0.530 nan 8.240 nan 0.000 0.692 185 Y N -1.434 118.791 120.300 -0.126 0.000 2.926 185 Y HA 0.490 3.412 4.550 -2.712 0.000 0.258 185 Y C -0.285 175.729 175.900 0.189 0.000 1.110 185 Y CA -2.097 56.047 58.100 0.074 0.000 1.224 185 Y CB -0.517 38.021 38.460 0.131 0.000 1.276 185 Y HN 0.386 nan 8.280 nan 0.000 0.595 186 D N -0.156 120.290 120.400 0.075 0.000 2.997 186 D HA 0.258 3.253 4.640 -2.743 0.000 0.362 186 D C -0.162 176.186 176.300 0.080 0.000 1.298 186 D CA -0.351 53.785 54.000 0.228 0.000 0.756 186 D CB -0.376 40.572 40.800 0.246 0.000 1.216 186 D HN 0.013 nan 8.370 nan 0.000 0.496 187 F N 0.111 120.243 119.950 0.304 0.000 2.147 187 F HA 0.192 3.076 4.527 -2.738 0.000 0.291 187 F C 1.236 177.191 175.800 0.259 0.000 1.093 187 F CA 0.367 58.510 58.000 0.238 0.000 1.263 187 F CB -0.706 38.410 39.000 0.194 0.000 1.036 187 F HN 0.240 nan 8.300 nan 0.000 0.481 188 H N 0.625 119.936 119.070 0.402 0.000 2.955 188 H HA 0.360 3.270 4.556 -2.744 0.000 0.290 188 H C 0.841 176.308 175.328 0.231 0.000 1.047 188 H CA -0.339 55.854 56.048 0.240 0.000 1.484 188 H CB 0.203 30.122 29.762 0.262 0.000 1.501 188 H HN 0.247 nan 8.280 nan 0.000 0.521 189 G N 2.720 111.550 108.800 0.049 0.000 2.393 189 G HA2 0.188 2.503 3.960 -2.743 0.000 0.268 189 G HA3 0.188 2.503 3.960 -2.743 0.000 0.268 189 G C 0.475 175.478 174.900 0.171 0.000 1.472 189 G CA 0.157 45.369 45.100 0.186 0.000 1.059 189 G HN 0.780 nan 8.290 nan 0.000 0.555 190 A N -1.391 121.577 122.820 0.246 0.000 2.538 190 A HA 0.339 3.014 4.320 -2.743 0.000 0.269 190 A C 1.261 178.984 177.584 0.232 0.000 1.231 190 A CA 0.486 52.641 52.037 0.196 0.000 0.948 190 A CB -0.186 18.914 19.000 0.166 0.000 1.110 190 A HN 0.828 nan 8.150 nan 0.000 0.529 191 W N -0.672 120.640 121.300 0.020 0.000 2.865 191 W HA 0.408 3.419 4.660 -2.748 0.000 0.300 191 W C 0.192 176.690 176.519 -0.036 0.000 1.096 191 W CA -0.332 57.010 57.345 -0.005 0.000 1.524 191 W CB -0.179 29.272 29.460 -0.015 0.000 0.991 191 W HN 0.032 nan 8.180 nan 0.000 0.571 192 R N 2.199 122.264 120.500 -0.724 0.000 2.679 192 R HA 0.103 2.798 4.340 -2.743 0.000 0.269 192 R C 0.424 176.549 176.300 -0.292 0.000 1.076 192 R CA 0.347 56.012 56.100 -0.726 0.000 1.160 192 R CB 0.657 30.343 30.300 -1.023 0.000 1.054 192 R HN 0.074 nan 8.270 nan 0.000 0.507 193 Q N 0.015 119.672 119.800 -0.239 0.000 2.186 193 Q HA 0.165 2.859 4.340 -2.743 0.000 0.241 193 Q C -0.539 175.332 176.000 -0.216 0.000 0.849 193 Q CA -0.030 55.682 55.803 -0.152 0.000 1.053 193 Q CB 1.585 30.271 28.738 -0.087 0.000 1.146 193 Q HN 0.345 nan 8.270 nan 0.000 0.475 194 T N -0.340 114.041 114.554 -0.288 0.000 2.906 194 T HA 0.400 3.104 4.350 -2.743 0.000 0.295 194 T C -0.906 173.490 174.700 -0.507 0.000 1.061 194 T CA -0.495 61.406 62.100 -0.332 0.000 1.000 194 T CB 1.822 70.535 68.868 -0.257 0.000 1.103 194 T HN -0.081 nan 8.240 nan 0.000 0.486 195 V N 3.113 122.590 119.914 -0.729 0.000 2.488 195 V HA 0.689 3.163 4.120 -2.743 0.000 0.277 195 V C 0.810 176.268 176.094 -1.060 0.000 1.046 195 V CA 0.618 62.172 62.300 -1.243 0.000 0.986 195 V CB 0.751 31.689 31.823 -1.474 0.000 0.989 195 V HN 1.035 nan 8.190 nan 0.000 0.475 196 G N 3.617 111.634 108.800 -1.305 0.000 2.677 196 G HA2 0.384 2.698 3.960 -2.743 0.000 0.291 196 G HA3 0.384 2.698 3.960 -2.743 0.000 0.291 196 G C -1.691 173.109 174.900 -0.167 0.000 1.435 196 G CA -0.587 43.989 45.100 -0.873 0.000 0.826 196 G HN 0.598 nan 8.290 nan 0.000 0.491 197 H N -0.026 119.134 119.070 0.150 0.000 2.489 197 H HA 0.228 3.137 4.556 -2.745 0.000 0.322 197 H C 1.247 176.757 175.328 0.302 0.000 1.091 197 H CA 0.031 56.301 56.048 0.370 0.000 1.291 197 H CB 1.298 31.302 29.762 0.403 0.000 1.436 197 H HN 0.810 nan 8.280 nan 0.000 0.480 198 H N 1.200 120.523 119.070 0.421 0.000 2.555 198 H HA 0.079 2.987 4.556 -2.746 0.000 0.269 198 H C 0.190 175.852 175.328 0.557 0.000 0.988 198 H CA 0.556 56.881 56.048 0.461 0.000 1.178 198 H CB 0.407 30.363 29.762 0.324 0.000 1.373 198 H HN 0.287 nan 8.280 nan 0.000 0.588 199 S N -1.132 114.720 115.700 0.253 0.000 2.598 199 S HA 0.336 3.160 4.470 -2.743 0.000 0.209 199 S C -3.168 171.411 174.600 -0.036 0.000 1.029 199 S CA -1.310 56.989 58.200 0.165 0.000 1.172 199 S CB 0.664 63.838 63.200 -0.043 0.000 1.427 199 S HN 0.053 nan 8.310 nan 0.000 0.418 200 P HA 0.238 nan 4.420 nan 0.000 0.274 200 P C 0.839 178.001 177.300 -0.231 0.000 1.231 200 P CA -0.714 62.260 63.100 -0.210 0.000 0.790 200 P CB 0.798 32.399 31.700 -0.165 0.000 0.951 201 L N 2.129 123.167 121.223 -0.308 0.000 2.102 201 L HA 0.296 2.990 4.340 -2.743 0.000 0.202 201 L C 0.282 176.759 176.870 -0.655 0.000 1.076 201 L CA 1.670 56.181 54.840 -0.548 0.000 0.761 201 L CB -0.634 41.014 42.059 -0.684 0.000 0.921 201 L HN 0.143 nan 8.230 nan 0.000 0.444 202 F N -0.508 119.336 119.950 -0.178 0.000 2.509 202 F HA 0.410 3.293 4.527 -2.739 0.000 0.334 202 F C 1.754 177.466 175.800 -0.147 0.000 1.060 202 F CA -0.573 57.345 58.000 -0.138 0.000 0.997 202 F CB 0.778 39.728 39.000 -0.084 0.000 1.271 202 F HN -0.109 nan 8.300 nan 0.000 0.488 203 R N 1.194 121.775 120.500 0.136 0.000 2.070 203 R HA 0.333 3.028 4.340 -2.743 0.000 0.232 203 R C 0.713 176.972 176.300 -0.068 0.000 1.138 203 R CA 0.685 56.773 56.100 -0.019 0.000 0.936 203 R CB -1.049 29.241 30.300 -0.016 0.000 0.839 203 R HN 0.842 nan 8.270 nan 0.000 0.429 204 G N 0.419 109.192 108.800 -0.044 0.000 2.781 204 G HA2 -0.233 2.081 3.960 -2.743 0.000 0.683 204 G HA3 -0.233 2.081 3.960 -2.743 0.000 0.683 204 G C -0.542 174.300 174.900 -0.097 0.000 1.390 204 G CA -0.189 44.863 45.100 -0.080 0.000 0.850 204 G HN 0.298 nan 8.290 nan 0.000 0.557 205 N N 0.315 118.962 118.700 -0.088 0.000 2.124 205 N HA -0.089 3.005 4.740 -2.743 0.000 0.188 205 N C 2.884 178.339 175.510 -0.093 0.000 1.045 205 N CA 2.315 55.318 53.050 -0.078 0.000 0.846 205 N CB -0.812 37.645 38.487 -0.049 0.000 1.020 205 N HN 1.158 nan 8.380 nan 0.000 0.432 206 S N 0.526 116.165 115.700 -0.103 0.000 2.440 206 S HA -0.113 2.711 4.470 -2.743 0.000 0.240 206 S C 0.523 175.049 174.600 -0.124 0.000 1.014 206 S CA 0.952 59.090 58.200 -0.105 0.000 0.980 206 S CB -0.361 62.772 63.200 -0.111 0.000 0.775 206 S HN 0.144 nan 8.310 nan 0.000 0.499 207 D N 2.028 122.340 120.400 -0.148 0.000 2.801 207 D HA 0.442 3.437 4.640 -2.743 0.000 0.232 207 D C 1.006 177.218 176.300 -0.147 0.000 1.128 207 D CA 0.339 54.247 54.000 -0.153 0.000 1.003 207 D CB 0.586 41.280 40.800 -0.176 0.000 1.110 207 D HN 0.545 nan 8.370 nan 0.000 0.477 208 A N 0.091 122.836 122.820 -0.125 0.000 2.167 208 A HA -0.028 2.646 4.320 -2.743 0.000 0.214 208 A C 2.232 179.733 177.584 -0.138 0.000 1.151 208 A CA 0.538 52.502 52.037 -0.121 0.000 0.735 208 A CB 0.363 19.308 19.000 -0.092 0.000 0.802 208 A HN 0.229 nan 8.150 nan 0.000 0.467 209 S N -1.576 114.042 115.700 -0.137 0.000 2.468 209 S HA 0.187 3.012 4.470 -2.743 0.000 0.226 209 S C 1.160 175.663 174.600 -0.162 0.000 1.051 209 S CA 0.664 58.786 58.200 -0.129 0.000 0.943 209 S CB -0.040 63.106 63.200 -0.090 0.000 0.810 209 S HN 0.558 nan 8.310 nan 0.000 0.509 213 F N 1.043 120.710 119.950 -0.471 0.000 2.850 213 F HA 0.507 3.395 4.527 -2.732 0.000 0.306 213 F C 0.053 175.593 175.800 -0.433 0.000 1.162 213 F CA -0.582 56.980 58.000 -0.730 0.000 1.327 213 F CB 1.474 39.770 39.000 -1.174 0.000 0.953 213 F HN -0.207 nan 8.300 nan 0.000 0.507 214 S N 1.783 117.311 115.700 -0.288 0.000 2.694 214 S HA 0.292 3.117 4.470 -2.743 0.000 0.211 214 S C -0.405 173.598 174.600 -0.995 0.000 1.328 214 S CA -0.618 57.269 58.200 -0.523 0.000 1.236 214 S CB -0.830 62.308 63.200 -0.104 0.000 1.121 214 S HN 0.619 nan 8.310 nan 0.000 0.517 215 N N -0.996 117.040 118.700 -1.106 0.000 2.591 215 N HA 0.647 3.742 4.740 -2.743 0.000 0.263 215 N C 0.534 175.727 175.510 -0.528 0.000 1.308 215 N CA -0.829 51.762 53.050 -0.765 0.000 0.837 215 N CB 0.570 38.859 38.487 -0.331 0.000 1.548 215 N HN -0.058 nan 8.380 nan 0.000 0.493 216 A N 0.354 123.025 122.820 -0.248 0.000 1.908 216 A HA -0.237 2.437 4.320 -2.743 0.000 0.218 216 A C 1.639 179.151 177.584 -0.120 0.000 1.181 216 A CA 2.239 54.235 52.037 -0.068 0.000 0.627 216 A CB -1.272 17.626 19.000 -0.169 0.000 0.818 216 A HN 0.936 nan 8.150 nan 0.000 0.445 217 D N -2.099 118.135 120.400 -0.277 0.000 2.106 217 D HA -0.255 2.740 4.640 -2.743 0.000 0.191 217 D C 1.756 178.140 176.300 0.141 0.000 0.997 217 D CA 1.891 55.857 54.000 -0.057 0.000 0.834 217 D CB -0.249 40.580 40.800 0.048 0.000 0.956 217 D HN 0.530 nan 8.370 nan 0.000 0.448 218 Y N 0.660 120.976 120.300 0.028 0.000 2.114 218 Y HA -0.164 2.735 4.550 -2.751 0.000 0.284 218 Y C 2.191 178.168 175.900 0.129 0.000 1.143 218 Y CA 1.920 60.068 58.100 0.080 0.000 1.135 218 Y CB -0.761 37.725 38.460 0.044 0.000 0.980 218 Y HN 0.070 nan 8.280 nan 0.000 0.499 219 A N -0.426 122.531 122.820 0.228 0.000 1.892 219 A HA -0.243 2.431 4.320 -2.743 0.000 0.218 219 A C 2.339 180.005 177.584 0.138 0.000 1.188 219 A CA 2.569 54.749 52.037 0.237 0.000 0.631 219 A CB -1.479 17.732 19.000 0.351 0.000 0.822 219 A HN 0.354 nan 8.150 nan 0.000 0.447 220 V N -0.347 119.647 119.914 0.133 0.000 2.233 220 V HA -0.264 2.210 4.120 -2.743 0.000 0.247 220 V C 2.765 178.899 176.094 0.066 0.000 1.050 220 V CA 2.455 64.832 62.300 0.127 0.000 1.010 220 V CB -1.151 30.811 31.823 0.230 0.000 0.637 220 V HN 0.569 nan 8.190 nan 0.000 0.444 221 S N -1.346 114.383 115.700 0.048 0.000 2.387 221 S HA -0.273 2.551 4.470 -2.743 0.000 0.230 221 S C 1.869 176.438 174.600 -0.051 0.000 1.035 221 S CA 2.192 60.388 58.200 -0.007 0.000 1.014 221 S CB -0.500 62.685 63.200 -0.024 0.000 0.836 221 S HN 0.643 nan 8.310 nan 0.000 0.466 222 Y N 1.748 121.871 120.300 -0.295 0.000 2.163 222 Y HA -0.076 2.812 4.550 -2.768 0.000 0.288 222 Y C 2.295 178.112 175.900 -0.138 0.000 1.136 222 Y CA 1.269 59.196 58.100 -0.287 0.000 1.147 222 Y CB -0.409 37.820 38.460 -0.384 0.000 0.987 222 Y HN 0.137 nan 8.280 nan 0.000 0.509 223 M N -0.422 119.129 119.600 -0.082 0.000 2.108 223 M HA -0.236 2.598 4.480 -2.743 0.000 0.261 223 M C 2.310 178.529 176.300 -0.136 0.000 1.066 223 M CA 1.486 56.707 55.300 -0.133 0.000 1.107 223 M CB -1.395 31.179 32.600 -0.044 0.000 1.356 223 M HN 0.351 nan 8.290 nan 0.000 0.406 224 L N -0.938 120.236 121.223 -0.083 0.000 2.046 224 L HA -0.207 2.487 4.340 -2.743 0.000 0.208 224 L C 2.645 179.458 176.870 -0.096 0.000 1.077 224 L CA 1.117 55.916 54.840 -0.068 0.000 0.747 224 L CB -0.574 41.466 42.059 -0.032 0.000 0.896 224 L HN 0.271 nan 8.230 nan 0.000 0.432 225 R N -0.293 120.131 120.500 -0.126 0.000 2.299 225 R HA -0.011 2.683 4.340 -2.743 0.000 0.197 225 R C 1.764 177.955 176.300 -0.181 0.000 0.971 225 R CA 0.458 56.484 56.100 -0.123 0.000 1.030 225 R CB 0.015 30.262 30.300 -0.088 0.000 0.932 225 R HN 0.234 nan 8.270 nan 0.000 0.477 226 L N -1.037 120.026 121.223 -0.266 0.000 2.509 226 L HA 0.151 2.846 4.340 -2.743 0.000 0.222 226 L C 1.304 178.074 176.870 -0.166 0.000 1.123 226 L CA 1.386 56.056 54.840 -0.283 0.000 0.856 226 L CB 0.392 42.198 42.059 -0.422 0.000 0.985 226 L HN 0.403 nan 8.230 nan 0.000 0.456 227 G N -2.114 106.609 108.800 -0.128 0.000 2.227 227 G HA2 -0.111 2.203 3.960 -2.743 0.000 0.168 227 G HA3 -0.111 2.203 3.960 -2.743 0.000 0.168 227 G C 0.443 175.300 174.900 -0.072 0.000 1.006 227 G CA -0.179 44.869 45.100 -0.088 0.000 0.684 227 G HN 0.556 nan 8.290 nan 0.000 0.489 228 A N 1.320 124.095 122.820 -0.075 0.000 2.404 228 A HA 0.682 3.356 4.320 -2.743 0.000 0.273 228 A C -1.805 175.759 177.584 -0.033 0.000 1.144 228 A CA -0.817 51.191 52.037 -0.050 0.000 0.806 228 A CB 0.101 19.072 19.000 -0.048 0.000 1.080 228 A HN 0.129 nan 8.150 nan 0.000 0.509 229 P HA 0.200 nan 4.420 nan 0.000 0.268 229 P C 0.955 178.255 177.300 -0.001 0.000 1.205 229 P CA 0.425 63.517 63.100 -0.014 0.000 0.771 229 P CB 1.062 32.755 31.700 -0.012 0.000 0.858 230 A N 3.962 126.781 122.820 -0.002 0.000 1.948 230 A HA -0.241 2.433 4.320 -2.743 0.000 0.220 230 A C 1.487 179.082 177.584 0.018 0.000 1.177 230 A CA 2.183 54.225 52.037 0.009 0.000 0.636 230 A CB -1.389 17.612 19.000 0.003 0.000 0.815 230 A HN 0.735 nan 8.150 nan 0.000 0.449 231 N N -1.031 117.674 118.700 0.009 0.000 2.501 231 N HA 0.014 3.109 4.740 -2.743 0.000 0.195 231 N C 0.675 176.205 175.510 0.032 0.000 1.213 231 N CA 0.737 53.792 53.050 0.008 0.000 0.864 231 N CB -0.007 38.474 38.487 -0.011 0.000 0.999 231 N HN 0.538 nan 8.380 nan 0.000 0.454 232 K N -0.550 119.880 120.400 0.050 0.000 2.440 232 K HA 0.260 2.935 4.320 -2.743 0.000 0.207 232 K C -0.221 176.448 176.600 0.115 0.000 1.112 232 K CA -0.234 56.109 56.287 0.094 0.000 1.036 232 K CB 0.894 33.437 32.500 0.072 0.000 0.935 232 K HN 0.170 nan 8.250 nan 0.000 0.564 233 L N 2.185 123.455 121.223 0.079 0.000 2.292 233 L HA 0.310 3.005 4.340 -2.743 0.000 0.284 233 L C -0.644 176.282 176.870 0.093 0.000 1.065 233 L CA -0.475 54.415 54.840 0.084 0.000 0.806 233 L CB 1.591 43.687 42.059 0.061 0.000 1.175 233 L HN -0.219 nan 8.230 nan 0.000 0.431 234 V N 5.313 125.296 119.914 0.114 0.000 2.525 234 V HA 0.297 2.772 4.120 -2.743 0.000 0.299 234 V C -0.049 176.122 176.094 0.129 0.000 1.034 234 V CA -0.473 61.890 62.300 0.106 0.000 0.863 234 V CB 2.033 33.907 31.823 0.085 0.000 0.999 234 V HN 0.752 nan 8.190 nan 0.000 0.423 235 M N 4.315 123.993 119.600 0.129 0.000 2.120 235 M HA 0.557 3.392 4.480 -2.743 0.000 0.354 235 M C 0.647 177.048 176.300 0.168 0.000 1.287 235 M CA -0.159 55.224 55.300 0.139 0.000 1.103 235 M CB 0.655 33.342 32.600 0.145 0.000 1.623 235 M HN 0.795 nan 8.290 nan 0.000 0.471 236 G N 6.399 115.309 108.800 0.183 0.000 2.361 236 G HA2 0.424 2.738 3.960 -2.743 0.000 0.260 236 G HA3 0.424 2.738 3.960 -2.743 0.000 0.260 236 G C -0.503 174.628 174.900 0.385 0.000 1.261 236 G CA -0.565 44.724 45.100 0.315 0.000 0.897 236 G HN 0.679 nan 8.290 nan 0.000 0.499 237 I N 4.635 125.426 120.570 0.369 0.000 2.404 237 I HA 0.381 2.905 4.170 -2.743 0.000 0.293 237 I C -2.080 174.166 176.117 0.215 0.000 0.992 237 I CA -2.799 58.651 61.300 0.249 0.000 1.149 237 I CB 1.991 40.070 38.000 0.132 0.000 1.315 237 I HN 0.320 nan 8.210 nan 0.000 0.446 238 P HA 0.319 nan 4.420 nan 0.000 0.282 238 P C -0.040 177.174 177.300 -0.144 0.000 1.259 238 P CA -0.243 62.702 63.100 -0.260 0.000 0.826 238 P CB 2.056 33.298 31.700 -0.764 0.000 1.064 239 T N 0.314 114.844 114.554 -0.040 0.000 3.091 239 T HA 0.296 3.000 4.350 -2.743 0.000 0.277 239 T C 0.133 174.918 174.700 0.141 0.000 0.996 239 T CA -0.111 62.017 62.100 0.047 0.000 0.897 239 T CB -0.470 68.470 68.868 0.120 0.000 1.109 239 T HN 0.402 nan 8.240 nan 0.000 0.534 240 F N -0.348 119.646 119.950 0.074 0.000 2.572 240 F HA 0.918 3.795 4.527 -2.750 0.000 0.342 240 F C 0.309 176.148 175.800 0.065 0.000 1.064 240 F CA -1.555 56.466 58.000 0.035 0.000 1.008 240 F CB 0.520 39.514 39.000 -0.011 0.000 1.303 240 F HN -0.097 nan 8.300 nan 0.000 0.492 241 G N 0.137 109.039 108.800 0.170 0.000 2.569 241 G HA2 0.650 2.964 3.960 -2.743 0.000 0.300 241 G HA3 0.650 2.964 3.960 -2.743 0.000 0.300 241 G C -1.952 172.913 174.900 -0.059 0.000 1.269 241 G CA -1.358 43.770 45.100 0.047 0.000 0.959 241 G HN 0.749 nan 8.290 nan 0.000 0.478 242 R N 0.001 120.362 120.500 -0.231 0.000 2.393 242 R HA 0.539 3.233 4.340 -2.743 0.000 0.315 242 R C 0.177 176.259 176.300 -0.364 0.000 0.952 242 R CA -0.363 55.534 56.100 -0.338 0.000 0.842 242 R CB 1.623 31.640 30.300 -0.473 0.000 1.163 242 R HN 0.724 nan 8.270 nan 0.000 0.450 243 S N 2.334 117.778 115.700 -0.427 0.000 2.654 243 S HA 0.678 3.502 4.470 -2.743 0.000 0.283 243 S C -0.602 173.678 174.600 -0.534 0.000 1.180 243 S CA -0.530 57.462 58.200 -0.348 0.000 1.021 243 S CB 1.080 64.135 63.200 -0.243 0.000 1.018 243 S HN 0.314 nan 8.310 nan 0.000 0.532 244 F N -0.527 119.522 119.950 0.165 0.000 2.601 244 F HA 0.463 3.343 4.527 -2.745 0.000 0.309 244 F C 0.087 175.969 175.800 0.136 0.000 1.089 244 F CA -0.634 57.450 58.000 0.139 0.000 0.940 244 F CB 2.391 41.478 39.000 0.144 0.000 1.273 244 F HN 0.547 nan 8.300 nan 0.000 0.450 245 T N 4.195 118.922 114.554 0.289 0.000 2.743 245 T HA 0.558 3.262 4.350 -2.743 0.000 0.292 245 T C 0.086 174.881 174.700 0.157 0.000 0.972 245 T CA -0.504 61.711 62.100 0.192 0.000 0.967 245 T CB 0.337 69.282 68.868 0.128 0.000 0.926 245 T HN 0.285 nan 8.240 nan 0.000 0.459 246 L N 1.946 123.255 121.223 0.144 0.000 2.464 246 L HA 0.418 3.112 4.340 -2.743 0.000 0.264 246 L C 1.390 178.288 176.870 0.046 0.000 1.199 246 L CA -0.409 54.475 54.840 0.073 0.000 0.818 246 L CB 0.322 42.436 42.059 0.092 0.000 1.102 246 L HN 0.752 nan 8.230 nan 0.000 0.473 247 A N 0.463 123.288 122.820 0.009 0.000 2.324 247 A HA 0.256 2.930 4.320 -2.743 0.000 0.220 247 A C 0.634 178.222 177.584 0.006 0.000 1.209 247 A CA 0.555 52.596 52.037 0.007 0.000 0.918 247 A CB 0.249 19.243 19.000 -0.011 0.000 0.959 247 A HN 0.705 nan 8.150 nan 0.000 0.507 248 S N -1.157 114.546 115.700 0.004 0.000 2.720 248 S HA 0.412 3.236 4.470 -2.743 0.000 0.287 248 S C 0.605 175.221 174.600 0.026 0.000 1.168 248 S CA 0.504 58.709 58.200 0.009 0.000 0.832 248 S CB 0.971 64.166 63.200 -0.008 0.000 1.166 248 S HN 0.729 nan 8.310 nan 0.000 0.493 249 S N -0.189 115.529 115.700 0.031 0.000 2.701 249 S HA 0.183 3.007 4.470 -2.743 0.000 0.220 249 S C 0.429 175.063 174.600 0.056 0.000 0.954 249 S CA -0.188 58.042 58.200 0.050 0.000 0.936 249 S CB -0.620 62.608 63.200 0.046 0.000 0.777 249 S HN 0.648 nan 8.310 nan 0.000 0.518 250 K N 1.526 121.945 120.400 0.032 0.000 2.349 250 K HA 0.133 2.808 4.320 -2.743 0.000 0.289 250 K C 0.661 177.288 176.600 0.045 0.000 1.064 250 K CA 0.072 56.373 56.287 0.023 0.000 0.947 250 K CB 0.586 33.074 32.500 -0.020 0.000 1.007 250 K HN 0.196 nan 8.250 nan 0.000 0.478 251 T N 2.282 116.901 114.554 0.108 0.000 3.040 251 T HA -0.045 2.660 4.350 -2.743 0.000 0.252 251 T C 0.146 174.976 174.700 0.216 0.000 1.064 251 T CA 0.525 62.763 62.100 0.231 0.000 1.110 251 T CB 0.051 69.118 68.868 0.332 0.000 0.921 251 T HN 0.820 nan 8.240 nan 0.000 0.480 252 D N 0.789 121.254 120.400 0.108 0.000 2.414 252 D HA 0.227 3.222 4.640 -2.743 0.000 0.259 252 D C 0.040 176.337 176.300 -0.005 0.000 1.269 252 D CA -0.585 53.471 54.000 0.093 0.000 1.028 252 D CB -0.106 40.733 40.800 0.065 0.000 1.093 252 D HN 0.008 nan 8.370 nan 0.000 0.545 253 V N 0.439 120.390 119.914 0.062 0.000 2.742 253 V HA 0.224 2.699 4.120 -2.743 0.000 0.302 253 V C 1.855 177.883 176.094 -0.110 0.000 1.133 253 V CA 1.512 63.816 62.300 0.006 0.000 1.284 253 V CB -0.527 31.335 31.823 0.064 0.000 0.850 253 V HN 1.033 nan 8.190 nan 0.000 0.494 254 G N 3.019 111.694 108.800 -0.208 0.000 2.225 254 G HA2 -0.121 2.193 3.960 -2.743 0.000 0.254 254 G HA3 -0.121 2.193 3.960 -2.743 0.000 0.254 254 G C 0.553 175.311 174.900 -0.236 0.000 0.988 254 G CA 0.090 45.062 45.100 -0.213 0.000 0.625 254 G HN 1.888 nan 8.290 nan 0.000 0.527 255 A N 1.585 124.249 122.820 -0.259 0.000 2.583 255 A HA 0.480 3.154 4.320 -2.743 0.000 0.231 255 A C -0.875 176.549 177.584 -0.267 0.000 1.065 255 A CA 0.672 52.570 52.037 -0.232 0.000 0.760 255 A CB 0.065 18.926 19.000 -0.232 0.000 1.001 255 A HN 0.446 nan 8.150 nan 0.000 0.509 256 P HA 0.522 nan 4.420 nan 0.000 0.281 256 P C -0.661 176.542 177.300 -0.162 0.000 1.249 256 P CA -0.132 62.868 63.100 -0.167 0.000 0.810 256 P CB 1.006 32.645 31.700 -0.101 0.000 1.008 257 I N -1.528 118.952 120.570 -0.151 0.000 2.846 257 I HA 0.497 3.022 4.170 -2.743 0.000 0.307 257 I C 0.940 177.046 176.117 -0.017 0.000 1.053 257 I CA -0.809 60.441 61.300 -0.084 0.000 1.050 257 I CB 2.339 40.275 38.000 -0.108 0.000 1.239 257 I HN 0.266 nan 8.210 nan 0.000 0.439 258 S N 2.507 118.226 115.700 0.030 0.000 2.483 258 S HA 0.627 3.452 4.470 -2.743 0.000 0.221 258 S C 0.709 175.344 174.600 0.059 0.000 1.030 258 S CA 0.385 58.607 58.200 0.037 0.000 0.925 258 S CB -0.120 63.105 63.200 0.041 0.000 0.795 258 S HN 1.404 nan 8.310 nan 0.000 0.511 259 G N 0.996 109.854 108.800 0.098 0.000 2.325 259 G HA2 0.427 2.742 3.960 -2.743 0.000 0.295 259 G HA3 0.427 2.742 3.960 -2.743 0.000 0.295 259 G C -3.449 171.553 174.900 0.170 0.000 1.274 259 G CA -0.558 44.611 45.100 0.115 0.000 0.857 259 G HN 0.151 nan 8.290 nan 0.000 0.499 260 P HA 0.386 nan 4.420 nan 0.000 0.272 260 P C 0.682 177.998 177.300 0.027 0.000 1.240 260 P CA 0.405 63.531 63.100 0.043 0.000 0.791 260 P CB 0.731 32.419 31.700 -0.020 0.000 0.978 261 G N 0.687 109.459 108.800 -0.047 0.000 2.606 261 G HA2 0.412 2.727 3.960 -2.743 0.000 0.252 261 G HA3 0.412 2.727 3.960 -2.743 0.000 0.252 261 G C 0.421 175.309 174.900 -0.019 0.000 1.206 261 G CA -0.851 44.241 45.100 -0.013 0.000 0.861 261 G HN 0.633 nan 8.290 nan 0.000 0.561 262 I N -1.084 119.491 120.570 0.008 0.000 2.696 262 I HA 0.341 2.865 4.170 -2.743 0.000 0.284 262 I C -2.268 173.838 176.117 -0.019 0.000 1.129 262 I CA -1.793 59.511 61.300 0.007 0.000 1.410 262 I CB 0.572 38.591 38.000 0.032 0.000 1.399 262 I HN 0.121 nan 8.210 nan 0.000 0.579 263 P HA 0.131 nan 4.420 nan 0.000 0.265 263 P C 0.120 177.404 177.300 -0.027 0.000 1.193 263 P CA 0.007 63.091 63.100 -0.027 0.000 0.765 263 P CB 0.514 32.205 31.700 -0.015 0.000 0.823 264 G N 2.045 110.824 108.800 -0.036 0.000 2.527 264 G HA2 0.003 2.317 3.960 -2.743 0.000 0.248 264 G HA3 0.003 2.317 3.960 -2.743 0.000 0.248 264 G C 0.867 175.744 174.900 -0.039 0.000 1.231 264 G CA -0.477 44.603 45.100 -0.032 0.000 0.838 264 G HN 0.483 nan 8.290 nan 0.000 0.570 265 R N 0.792 121.226 120.500 -0.110 0.000 2.152 265 R HA -0.031 2.663 4.340 -2.743 0.000 0.232 265 R C 1.256 177.362 176.300 -0.322 0.000 1.117 265 R CA 1.293 57.231 56.100 -0.270 0.000 0.981 265 R CB -0.072 29.950 30.300 -0.463 0.000 0.870 265 R HN 0.658 nan 8.270 nan 0.000 0.451 266 F N -2.351 117.654 119.950 0.091 0.000 2.514 266 F HA 0.106 2.987 4.527 -2.743 0.000 0.281 266 F C 2.387 178.259 175.800 0.119 0.000 1.060 266 F CA 0.311 58.395 58.000 0.139 0.000 1.397 266 F CB -0.209 38.937 39.000 0.243 0.000 1.129 266 F HN -0.145 nan 8.300 nan 0.000 0.620 267 T N -0.188 114.520 114.554 0.256 0.000 2.995 267 T HA -0.088 2.617 4.350 -2.743 0.000 0.269 267 T C 0.516 175.276 174.700 0.100 0.000 1.091 267 T CA 0.517 62.703 62.100 0.143 0.000 1.128 267 T CB -0.412 68.471 68.868 0.025 0.000 0.891 267 T HN 0.050 nan 8.240 nan 0.000 0.492 268 K N 1.974 122.418 120.400 0.073 0.000 3.834 268 K HA -0.195 2.479 4.320 -2.743 0.000 0.276 268 K C -0.234 176.379 176.600 0.022 0.000 0.850 268 K CA 0.479 56.792 56.287 0.043 0.000 0.704 268 K CB -0.929 31.610 32.500 0.065 0.000 1.644 268 K HN 0.504 nan 8.250 nan 0.000 0.440 269 E N 1.263 121.459 120.200 -0.007 0.000 2.367 269 E HA 0.103 2.807 4.350 -2.743 0.000 0.292 269 E C -1.212 175.353 176.600 -0.060 0.000 0.900 269 E CA -0.734 55.646 56.400 -0.034 0.000 0.807 269 E CB 0.999 30.674 29.700 -0.041 0.000 1.337 269 E HN 0.119 nan 8.360 nan 0.000 0.394 270 K N 1.357 121.725 120.400 -0.054 0.000 2.504 270 K HA 0.061 2.735 4.320 -2.743 0.000 0.278 270 K C 0.974 177.515 176.600 -0.098 0.000 1.025 270 K CA 1.715 57.966 56.287 -0.060 0.000 1.093 270 K CB 0.200 32.676 32.500 -0.039 0.000 0.873 270 K HN 0.832 nan 8.250 nan 0.000 0.483 271 G N 2.221 110.946 108.800 -0.125 0.000 2.176 271 G HA2 -0.264 2.051 3.960 -2.743 0.000 0.253 271 G HA3 -0.264 2.051 3.960 -2.743 0.000 0.253 271 G C -0.134 174.633 174.900 -0.221 0.000 0.979 271 G CA -0.119 44.862 45.100 -0.198 0.000 0.641 271 G HN 0.457 nan 8.290 nan 0.000 0.530 272 I N 0.452 120.918 120.570 -0.173 0.000 2.647 272 I HA 0.723 3.247 4.170 -2.743 0.000 0.295 272 I C -0.096 175.943 176.117 -0.130 0.000 1.078 272 I CA -0.808 60.399 61.300 -0.155 0.000 1.048 272 I CB 1.980 39.864 38.000 -0.193 0.000 1.239 272 I HN 0.069 nan 8.210 nan 0.000 0.421 273 L N 4.491 125.648 121.223 -0.110 0.000 2.422 273 L HA 0.800 3.494 4.340 -2.743 0.000 0.264 273 L C -0.182 176.610 176.870 -0.129 0.000 0.984 273 L CA -0.962 53.786 54.840 -0.154 0.000 0.819 273 L CB 1.974 43.895 42.059 -0.230 0.000 1.330 273 L HN 0.677 nan 8.230 nan 0.000 0.410 274 A N 0.945 123.590 122.820 -0.291 0.000 2.332 274 A HA 0.155 2.829 4.320 -2.743 0.000 0.258 274 A C 0.355 177.765 177.584 -0.289 0.000 1.087 274 A CA 0.025 51.832 52.037 -0.383 0.000 0.802 274 A CB 0.141 18.509 19.000 -1.053 0.000 1.042 274 A HN 0.764 nan 8.150 nan 0.000 0.489 275 Y N 1.174 121.353 120.300 -0.202 0.000 2.274 275 Y HA -0.284 2.621 4.550 -2.741 0.000 0.290 275 Y C 1.868 177.711 175.900 -0.095 0.000 1.145 275 Y CA 2.580 60.630 58.100 -0.082 0.000 1.203 275 Y CB -0.589 37.900 38.460 0.048 0.000 0.984 275 Y HN 0.799 nan 8.280 nan 0.000 0.533 276 Y N -1.306 118.876 120.300 -0.197 0.000 2.439 276 Y HA 0.056 2.961 4.550 -2.742 0.000 0.292 276 Y C 1.821 177.485 175.900 -0.394 0.000 1.130 276 Y CA 1.003 58.862 58.100 -0.403 0.000 1.254 276 Y CB -1.036 37.062 38.460 -0.603 0.000 1.000 276 Y HN 0.136 nan 8.280 nan 0.000 0.554 277 E N 0.480 120.426 120.200 -0.424 0.000 2.112 277 E HA -0.070 2.635 4.350 -2.743 0.000 0.190 277 E C 1.987 178.492 176.600 -0.158 0.000 0.979 277 E CA 0.715 56.999 56.400 -0.194 0.000 0.814 277 E CB -0.000 29.561 29.700 -0.231 0.000 0.762 277 E HN 0.349 nan 8.360 nan 0.000 0.460 278 I N 1.156 121.564 120.570 -0.270 0.000 2.226 278 I HA -0.282 2.243 4.170 -2.743 0.000 0.245 278 I C 2.361 178.297 176.117 -0.301 0.000 1.100 278 I CA 0.977 62.089 61.300 -0.314 0.000 1.374 278 I CB -1.132 36.633 38.000 -0.391 0.000 1.057 278 I HN 0.269 nan 8.210 nan 0.000 0.413 279 c N 0.622 118.976 118.600 -0.411 0.000 2.413 279 c HA -0.204 2.721 4.570 -2.743 0.000 0.277 279 c C 2.597 176.516 174.090 -0.285 0.000 1.265 279 c CA 1.325 57.423 56.329 -0.385 0.000 1.752 279 c CB -0.994 41.288 42.510 -0.380 0.000 1.998 279 c HN 0.538 nan 8.230 nan 0.000 0.489 280 D N -0.644 119.692 120.400 -0.106 0.000 2.162 280 D HA -0.110 2.884 4.640 -2.743 0.000 0.203 280 D C 1.803 178.076 176.300 -0.045 0.000 0.967 280 D CA 0.665 54.658 54.000 -0.010 0.000 0.840 280 D CB -0.336 40.571 40.800 0.178 0.000 0.972 280 D HN 0.480 nan 8.370 nan 0.000 0.482 281 F N 0.200 120.042 119.950 -0.179 0.000 2.269 281 F HA -0.070 2.813 4.527 -2.740 0.000 0.301 281 F C 1.624 177.304 175.800 -0.199 0.000 1.082 281 F CA 0.623 58.525 58.000 -0.163 0.000 1.360 281 F CB 0.054 38.941 39.000 -0.188 0.000 1.041 281 F HN -0.019 nan 8.300 nan 0.000 0.512 282 L N 0.173 121.294 121.223 -0.169 0.000 2.083 282 L HA -0.175 2.519 4.340 -2.743 0.000 0.209 282 L C 0.806 177.539 176.870 -0.229 0.000 1.083 282 L CA 1.146 55.848 54.840 -0.230 0.000 0.752 282 L CB -1.575 40.334 42.059 -0.249 0.000 0.899 282 L HN 0.045 nan 8.230 nan 0.000 0.433 283 H N 0.445 119.434 119.070 -0.135 0.000 3.184 283 H HA 0.308 3.219 4.556 -2.742 0.000 0.274 283 H C 1.493 176.717 175.328 -0.174 0.000 0.962 283 H CA 0.704 56.679 56.048 -0.121 0.000 1.441 283 H CB -0.294 29.420 29.762 -0.081 0.000 1.518 283 H HN 0.346 nan 8.280 nan 0.000 0.539 284 G N 1.853 110.633 108.800 -0.035 0.000 2.176 284 G HA2 -0.192 2.122 3.960 -2.743 0.000 0.232 284 G HA3 -0.192 2.122 3.960 -2.743 0.000 0.232 284 G C 0.448 175.248 174.900 -0.166 0.000 0.986 284 G CA 0.040 45.081 45.100 -0.098 0.000 0.643 284 G HN 0.915 nan 8.290 nan 0.000 0.522 285 A N -0.176 122.514 122.820 -0.216 0.000 2.269 285 A HA 0.846 3.521 4.320 -2.743 0.000 0.319 285 A C 0.372 177.864 177.584 -0.153 0.000 1.110 285 A CA 0.571 52.469 52.037 -0.232 0.000 0.847 285 A CB 0.896 19.697 19.000 -0.332 0.000 1.161 285 A HN 0.731 nan 8.150 nan 0.000 0.497 286 T N 1.807 116.269 114.554 -0.154 0.000 2.767 286 T HA 0.526 3.230 4.350 -2.743 0.000 0.288 286 T C 0.177 174.632 174.700 -0.409 0.000 0.963 286 T CA -0.074 61.875 62.100 -0.250 0.000 1.019 286 T CB 0.756 69.481 68.868 -0.239 0.000 0.923 286 T HN 0.833 nan 8.240 nan 0.000 0.468 287 T N 1.329 115.640 114.554 -0.405 0.000 2.771 287 T HA 0.580 3.285 4.350 -2.743 0.000 0.281 287 T C -0.536 173.824 174.700 -0.566 0.000 0.982 287 T CA -0.809 61.059 62.100 -0.386 0.000 0.978 287 T CB 0.481 69.263 68.868 -0.143 0.000 0.930 287 T HN 0.655 nan 8.240 nan 0.000 0.447 288 H N 1.038 119.802 119.070 -0.510 0.000 2.737 288 H HA 0.808 3.718 4.556 -2.743 0.000 0.358 288 H C -0.046 174.838 175.328 -0.740 0.000 1.187 288 H CA -1.309 54.324 56.048 -0.692 0.000 1.221 288 H CB 1.743 30.831 29.762 -1.123 0.000 1.799 288 H HN 0.628 nan 8.280 nan 0.000 0.568 289 R N 1.590 121.874 120.500 -0.359 0.000 2.508 289 R HA 0.211 2.905 4.340 -2.743 0.000 0.283 289 R C -1.720 174.562 176.300 -0.029 0.000 1.120 289 R CA -0.688 55.273 56.100 -0.230 0.000 0.958 289 R CB 0.692 30.926 30.300 -0.110 0.000 1.215 289 R HN 0.343 nan 8.270 nan 0.000 0.427 290 F N 4.425 124.463 119.950 0.147 0.000 2.541 290 F HA 0.184 3.066 4.527 -2.743 0.000 0.378 290 F C 1.637 177.477 175.800 0.067 0.000 1.068 290 F CA -0.161 57.928 58.000 0.149 0.000 1.199 290 F CB 0.857 39.949 39.000 0.154 0.000 1.091 290 F HN 0.517 nan 8.300 nan 0.000 0.555 291 R N 0.972 121.619 120.500 0.246 0.000 2.073 291 R HA -0.088 2.606 4.340 -2.743 0.000 0.229 291 R C 1.343 177.718 176.300 0.125 0.000 1.120 291 R CA 1.174 57.357 56.100 0.139 0.000 0.967 291 R CB -0.287 30.071 30.300 0.096 0.000 0.862 291 R HN 0.457 nan 8.270 nan 0.000 0.436 292 D N 1.658 122.126 120.400 0.114 0.000 2.120 292 D HA -0.187 2.807 4.640 -2.743 0.000 0.191 292 D C 1.976 178.346 176.300 0.116 0.000 0.994 292 D CA 1.579 55.618 54.000 0.065 0.000 0.838 292 D CB -0.306 40.499 40.800 0.009 0.000 0.976 292 D HN 0.338 nan 8.370 nan 0.000 0.447 293 Q N -0.064 119.790 119.800 0.090 0.000 2.436 293 Q HA 0.015 2.709 4.340 -2.743 0.000 0.209 293 Q C -0.011 176.029 176.000 0.066 0.000 0.965 293 Q CA 0.169 56.008 55.803 0.060 0.000 0.910 293 Q CB 0.033 28.729 28.738 -0.070 0.000 0.980 293 Q HN 0.318 nan 8.270 nan 0.000 0.491 294 Q N -0.528 119.345 119.800 0.122 0.000 2.468 294 Q HA -0.150 2.545 4.340 -2.743 0.000 0.289 294 Q C -0.937 175.049 176.000 -0.023 0.000 1.299 294 Q CA 0.668 56.515 55.803 0.074 0.000 0.838 294 Q CB -2.254 26.546 28.738 0.104 0.000 1.195 294 Q HN 0.339 nan 8.270 nan 0.000 0.456 295 V N -3.822 116.081 119.914 -0.017 0.000 2.925 295 V HA 0.862 3.336 4.120 -2.743 0.000 0.311 295 V C -2.584 173.471 176.094 -0.065 0.000 1.104 295 V CA -2.226 59.980 62.300 -0.157 0.000 0.954 295 V CB 2.445 33.942 31.823 -0.544 0.000 1.022 295 V HN -0.035 nan 8.190 nan 0.000 0.427 296 P HA 0.622 nan 4.420 nan 0.000 0.283 296 P C -1.846 175.340 177.300 -0.189 0.000 1.271 296 P CA -0.314 62.615 63.100 -0.284 0.000 0.841 296 P CB 1.694 33.119 31.700 -0.459 0.000 1.122 297 Y N -2.130 118.019 120.300 -0.251 0.000 2.670 297 Y HA 0.846 3.750 4.550 -2.743 0.000 0.334 297 Y C -1.776 174.037 175.900 -0.145 0.000 1.185 297 Y CA -1.437 56.487 58.100 -0.294 0.000 1.053 297 Y CB 0.642 38.658 38.460 -0.740 0.000 1.298 297 Y HN 0.671 nan 8.280 nan 0.000 0.459 298 A N 0.642 123.426 122.820 -0.061 0.000 2.569 298 A HA 0.951 3.625 4.320 -2.743 0.000 0.290 298 A C -1.229 176.398 177.584 0.071 0.000 1.136 298 A CA -0.425 51.606 52.037 -0.009 0.000 0.710 298 A CB 1.552 20.616 19.000 0.108 0.000 1.303 298 A HN 1.253 nan 8.150 nan 0.000 0.413 299 T N -0.393 114.253 114.554 0.154 0.000 2.923 299 T HA 0.736 3.440 4.350 -2.743 0.000 0.311 299 T C -1.013 173.758 174.700 0.118 0.000 1.183 299 T CA -0.785 61.466 62.100 0.251 0.000 1.020 299 T CB 1.757 70.829 68.868 0.340 0.000 1.165 299 T HN 0.671 nan 8.240 nan 0.000 0.482 300 K N 0.647 121.124 120.400 0.127 0.000 2.550 300 K HA 0.552 3.226 4.320 -2.743 0.000 0.252 300 K C 0.873 177.514 176.600 0.069 0.000 0.943 300 K CA -0.048 56.216 56.287 -0.037 0.000 0.806 300 K CB 1.926 34.229 32.500 -0.328 0.000 1.289 300 K HN 1.072 nan 8.250 nan 0.000 0.435 301 G N 3.223 112.052 108.800 0.048 0.000 2.690 301 G HA2 -0.413 1.901 3.960 -2.743 0.000 0.334 301 G HA3 -0.413 1.901 3.960 -2.743 0.000 0.334 301 G C 0.203 175.175 174.900 0.120 0.000 1.250 301 G CA 1.067 46.210 45.100 0.072 0.000 0.994 301 G HN 0.805 nan 8.290 nan 0.000 0.549 302 N N 0.833 119.614 118.700 0.134 0.000 2.328 302 N HA 0.206 3.300 4.740 -2.743 0.000 0.247 302 N C -0.028 175.613 175.510 0.218 0.000 1.165 302 N CA 0.180 53.325 53.050 0.158 0.000 0.873 302 N CB 0.646 39.203 38.487 0.117 0.000 1.125 302 N HN 0.551 nan 8.380 nan 0.000 0.513 303 Q N 0.491 120.456 119.800 0.274 0.000 2.325 303 Q HA 0.220 2.914 4.340 -2.743 0.000 0.262 303 Q C -1.507 174.757 176.000 0.439 0.000 0.968 303 Q CA -0.255 55.752 55.803 0.339 0.000 0.877 303 Q CB 1.778 30.749 28.738 0.388 0.000 1.253 303 Q HN 0.457 nan 8.270 nan 0.000 0.448 304 W N 4.004 125.433 121.300 0.215 0.000 2.361 304 W HA 0.518 3.531 4.660 -2.746 0.000 0.314 304 W C -1.246 175.372 176.519 0.165 0.000 1.041 304 W CA -0.556 56.932 57.345 0.239 0.000 1.241 304 W CB 1.036 30.631 29.460 0.226 0.000 1.279 304 W HN 0.263 nan 8.180 nan 0.000 0.436 305 V N 6.019 125.785 119.914 -0.247 0.000 2.448 305 V HA 0.704 3.179 4.120 -2.743 0.000 0.295 305 V C 0.030 175.872 176.094 -0.419 0.000 1.025 305 V CA -0.976 61.130 62.300 -0.324 0.000 0.859 305 V CB 1.195 32.697 31.823 -0.533 0.000 0.988 305 V HN 0.651 nan 8.190 nan 0.000 0.431 306 A N 5.778 128.448 122.820 -0.250 0.000 2.256 306 A HA 0.847 3.521 4.320 -2.743 0.000 0.317 306 A C -0.829 176.756 177.584 0.003 0.000 1.318 306 A CA -0.366 51.511 52.037 -0.266 0.000 0.894 306 A CB 0.279 19.155 19.000 -0.207 0.000 1.165 306 A HN 1.048 nan 8.150 nan 0.000 0.525 307 Y N -0.185 120.076 120.300 -0.065 0.000 2.705 307 Y HA 0.771 3.675 4.550 -2.743 0.000 0.332 307 Y C -1.018 174.970 175.900 0.147 0.000 1.157 307 Y CA -1.838 56.299 58.100 0.061 0.000 1.091 307 Y CB 0.959 39.436 38.460 0.028 0.000 1.301 307 Y HN 0.428 nan 8.280 nan 0.000 0.488 308 D N 1.236 121.646 120.400 0.016 0.000 2.362 308 D HA 0.282 3.277 4.640 -2.743 0.000 0.247 308 D C -1.458 174.802 176.300 -0.067 0.000 1.050 308 D CA -0.194 53.728 54.000 -0.130 0.000 0.839 308 D CB 2.131 42.874 40.800 -0.096 0.000 1.283 308 D HN 0.724 nan 8.370 nan 0.000 0.477 309 D N 0.439 120.765 120.400 -0.123 0.000 2.553 309 D HA 0.096 3.091 4.640 -2.743 0.000 0.249 309 D C 0.974 177.231 176.300 -0.072 0.000 1.062 309 D CA -0.553 53.443 54.000 -0.007 0.000 1.085 309 D CB 0.773 41.708 40.800 0.226 0.000 1.350 309 D HN 0.103 nan 8.370 nan 0.000 0.575 310 Q N -0.550 119.238 119.800 -0.020 0.000 2.142 310 Q HA -0.309 2.386 4.340 -2.743 0.000 0.213 310 Q C 1.717 177.711 176.000 -0.011 0.000 1.004 310 Q CA 2.812 58.609 55.803 -0.009 0.000 0.883 310 Q CB -0.086 28.682 28.738 0.050 0.000 0.939 310 Q HN 0.681 nan 8.270 nan 0.000 0.413 311 E N -0.757 119.442 120.200 -0.001 0.000 2.028 311 E HA -0.178 2.526 4.350 -2.743 0.000 0.191 311 E C 1.903 178.487 176.600 -0.027 0.000 0.988 311 E CA 1.702 58.098 56.400 -0.006 0.000 0.799 311 E CB -0.199 29.501 29.700 0.000 0.000 0.755 311 E HN 0.399 nan 8.360 nan 0.000 0.447 312 S N -0.360 115.307 115.700 -0.056 0.000 2.382 312 S HA -0.133 2.692 4.470 -2.743 0.000 0.228 312 S C 2.149 176.708 174.600 -0.069 0.000 1.027 312 S CA 1.198 59.352 58.200 -0.076 0.000 0.991 312 S CB -0.549 62.575 63.200 -0.126 0.000 0.823 312 S HN 0.165 nan 8.310 nan 0.000 0.469 313 V N 2.414 122.289 119.914 -0.066 0.000 2.427 313 V HA -0.095 2.379 4.120 -2.743 0.000 0.248 313 V C 2.624 178.702 176.094 -0.028 0.000 1.051 313 V CA 1.683 63.953 62.300 -0.051 0.000 1.048 313 V CB -0.514 31.270 31.823 -0.065 0.000 0.666 313 V HN 0.529 nan 8.190 nan 0.000 0.456 314 K N -0.155 120.233 120.400 -0.021 0.000 2.148 314 K HA -0.148 2.527 4.320 -2.743 0.000 0.204 314 K C 1.939 178.538 176.600 -0.002 0.000 1.050 314 K CA 1.194 57.475 56.287 -0.010 0.000 0.942 314 K CB -0.405 32.093 32.500 -0.002 0.000 0.724 314 K HN 0.510 nan 8.250 nan 0.000 0.446 315 N N 1.467 120.166 118.700 -0.003 0.000 2.080 315 N HA -0.138 2.957 4.740 -2.743 0.000 0.189 315 N C 1.653 177.173 175.510 0.016 0.000 1.036 315 N CA 1.187 54.246 53.050 0.014 0.000 0.846 315 N CB 0.108 38.596 38.487 0.002 0.000 1.015 315 N HN 0.141 nan 8.380 nan 0.000 0.423 316 K N 0.607 120.991 120.400 -0.027 0.000 2.103 316 K HA -0.075 2.599 4.320 -2.743 0.000 0.207 316 K C 2.012 178.643 176.600 0.051 0.000 1.048 316 K CA 1.160 57.428 56.287 -0.032 0.000 0.930 316 K CB -0.069 32.398 32.500 -0.054 0.000 0.716 316 K HN 0.181 nan 8.250 nan 0.000 0.444 317 A N 1.274 124.107 122.820 0.021 0.000 1.930 317 A HA -0.143 2.531 4.320 -2.743 0.000 0.217 317 A C 1.988 179.565 177.584 -0.012 0.000 1.175 317 A CA 1.187 53.224 52.037 -0.001 0.000 0.627 317 A CB -0.274 18.708 19.000 -0.031 0.000 0.815 317 A HN 0.186 nan 8.150 nan 0.000 0.443 318 R N -2.253 118.258 120.500 0.017 0.000 2.092 318 R HA -0.101 2.594 4.340 -2.743 0.000 0.231 318 R C 2.124 178.454 176.300 0.050 0.000 1.119 318 R CA 1.465 57.574 56.100 0.014 0.000 0.970 318 R CB -0.511 29.811 30.300 0.037 0.000 0.864 318 R HN 0.696 nan 8.270 nan 0.000 0.440 319 Y N 1.979 122.266 120.300 -0.022 0.000 2.053 319 Y HA -0.295 2.607 4.550 -2.747 0.000 0.277 319 Y C 2.186 178.084 175.900 -0.002 0.000 1.159 319 Y CA 1.843 59.938 58.100 -0.009 0.000 1.125 319 Y CB -0.486 37.931 38.460 -0.073 0.000 0.969 319 Y HN 0.035 nan 8.280 nan 0.000 0.492 320 L N 0.398 121.714 121.223 0.155 0.000 2.051 320 L HA -0.328 2.367 4.340 -2.743 0.000 0.214 320 L C 2.188 179.053 176.870 -0.008 0.000 1.076 320 L CA 2.218 57.109 54.840 0.085 0.000 0.758 320 L CB -0.452 41.670 42.059 0.106 0.000 0.890 320 L HN 0.305 nan 8.230 nan 0.000 0.433 321 K N -0.250 120.119 120.400 -0.052 0.000 2.062 321 K HA -0.104 2.571 4.320 -2.743 0.000 0.205 321 K C 1.896 178.490 176.600 -0.011 0.000 1.051 321 K CA 1.476 57.742 56.287 -0.036 0.000 0.941 321 K CB -0.185 32.235 32.500 -0.134 0.000 0.719 321 K HN 0.417 nan 8.250 nan 0.000 0.440 322 N N 0.905 119.558 118.700 -0.078 0.000 2.223 322 N HA -0.123 2.971 4.740 -2.743 0.000 0.185 322 N C 1.357 176.789 175.510 -0.129 0.000 1.016 322 N CA 1.027 54.023 53.050 -0.091 0.000 0.863 322 N CB 0.016 38.441 38.487 -0.104 0.000 0.983 322 N HN 0.149 nan 8.380 nan 0.000 0.429 323 R N 0.877 121.246 120.500 -0.218 0.000 2.310 323 R HA 0.124 2.819 4.340 -2.743 0.000 0.202 323 R C -0.150 176.113 176.300 -0.061 0.000 0.933 323 R CA 0.020 56.011 56.100 -0.181 0.000 1.054 323 R CB 0.170 30.287 30.300 -0.306 0.000 0.985 323 R HN 0.252 nan 8.270 nan 0.000 0.489 324 Q N 0.486 120.282 119.800 -0.007 0.000 2.463 324 Q HA -0.187 2.507 4.340 -2.743 0.000 0.299 324 Q C -0.687 175.354 176.000 0.069 0.000 1.353 324 Q CA 0.363 56.200 55.803 0.057 0.000 0.828 324 Q CB -1.857 26.894 28.738 0.022 0.000 1.157 324 Q HN 0.368 nan 8.270 nan 0.000 0.436 325 L N -1.061 120.222 121.223 0.101 0.000 2.479 325 L HA 0.373 3.067 4.340 -2.743 0.000 0.249 325 L C 1.724 178.672 176.870 0.129 0.000 1.178 325 L CA 0.381 55.280 54.840 0.099 0.000 0.811 325 L CB 0.150 42.271 42.059 0.103 0.000 1.187 325 L HN 0.326 nan 8.230 nan 0.000 0.480 326 A N 0.398 123.265 122.820 0.078 0.000 1.969 326 A HA 0.294 2.969 4.320 -2.743 0.000 0.218 326 A C 0.942 178.590 177.584 0.106 0.000 1.169 326 A CA 1.516 53.573 52.037 0.033 0.000 0.635 326 A CB -0.417 18.579 19.000 -0.006 0.000 0.810 326 A HN 0.971 nan 8.150 nan 0.000 0.445 327 G N -3.154 105.735 108.800 0.148 0.000 2.344 327 G HA2 0.580 2.895 3.960 -2.743 0.000 0.282 327 G HA3 0.580 2.895 3.960 -2.743 0.000 0.282 327 G C -0.916 174.040 174.900 0.092 0.000 1.281 327 G CA -0.085 45.117 45.100 0.171 0.000 0.877 327 G HN 1.173 nan 8.290 nan 0.000 0.494 328 A N -0.542 122.318 122.820 0.066 0.000 2.354 328 A HA 0.914 3.588 4.320 -2.743 0.000 0.321 328 A C -0.241 177.397 177.584 0.091 0.000 1.125 328 A CA -0.058 52.028 52.037 0.081 0.000 0.799 328 A CB 1.709 20.750 19.000 0.068 0.000 1.293 328 A HN 1.822 nan 8.150 nan 0.000 0.452 329 M N 1.759 121.457 119.600 0.163 0.000 2.395 329 M HA 0.690 3.525 4.480 -2.743 0.000 0.307 329 M C -2.107 174.372 176.300 0.297 0.000 1.091 329 M CA -0.543 54.901 55.300 0.241 0.000 0.919 329 M CB 1.888 34.703 32.600 0.357 0.000 1.662 329 M HN 0.347 nan 8.290 nan 0.000 0.440 330 V N 4.728 124.821 119.914 0.300 0.000 2.409 330 V HA 0.361 2.836 4.120 -2.743 0.000 0.291 330 V C -1.053 175.273 176.094 0.386 0.000 1.020 330 V CA -0.461 62.006 62.300 0.279 0.000 0.848 330 V CB 1.675 33.591 31.823 0.155 0.000 0.990 330 V HN 0.917 nan 8.190 nan 0.000 0.430 331 W N 6.760 128.198 121.300 0.231 0.000 2.342 331 W HA 0.599 3.622 4.660 -2.728 0.000 0.310 331 W C 0.139 176.751 176.519 0.156 0.000 1.128 331 W CA -0.014 57.453 57.345 0.203 0.000 1.322 331 W CB 0.911 30.445 29.460 0.123 0.000 1.251 331 W HN 0.966 nan 8.180 nan 0.000 0.439 332 A N 5.780 128.210 122.820 -0.651 0.000 1.997 332 A HA -0.230 2.444 4.320 -2.743 0.000 0.385 332 A C 0.211 177.682 177.584 -0.187 0.000 0.995 332 A CA 0.225 51.861 52.037 -0.668 0.000 0.566 332 A CB -1.504 17.016 19.000 -0.801 0.000 2.157 332 A HN 0.839 nan 8.150 nan 0.000 0.333 333 L N 0.802 121.961 121.223 -0.105 0.000 2.275 333 L HA -0.133 2.561 4.340 -2.743 0.000 0.215 333 L C 2.127 179.115 176.870 0.196 0.000 1.119 333 L CA 2.123 57.043 54.840 0.134 0.000 0.790 333 L CB -0.244 41.879 42.059 0.106 0.000 0.919 333 L HN 1.003 nan 8.230 nan 0.000 0.443 334 D N -1.285 119.068 120.400 -0.078 0.000 2.340 334 D HA -0.084 2.910 4.640 -2.743 0.000 0.220 334 D C 1.756 178.108 176.300 0.087 0.000 1.039 334 D CA 0.396 54.274 54.000 -0.204 0.000 0.866 334 D CB 0.065 40.597 40.800 -0.446 0.000 0.913 334 D HN 0.277 nan 8.370 nan 0.000 0.523 335 L N -0.600 120.691 121.223 0.113 0.000 2.638 335 L HA 0.215 2.910 4.340 -2.743 0.000 0.232 335 L C 0.869 177.914 176.870 0.291 0.000 1.099 335 L CA -0.244 54.689 54.840 0.154 0.000 0.883 335 L CB 0.133 42.237 42.059 0.075 0.000 1.136 335 L HN 0.067 nan 8.230 nan 0.000 0.492 336 D N 0.328 120.947 120.400 0.365 0.000 2.411 336 D HA -0.025 2.970 4.640 -2.743 0.000 0.251 336 D C -0.321 176.258 176.300 0.465 0.000 1.201 336 D CA -0.178 54.071 54.000 0.415 0.000 0.996 336 D CB 1.034 42.098 40.800 0.439 0.000 1.101 336 D HN -0.167 nan 8.370 nan 0.000 0.504 337 D N 0.856 121.463 120.400 0.346 0.000 2.551 337 D HA 0.012 3.006 4.640 -2.743 0.000 0.223 337 D C 1.038 177.195 176.300 -0.238 0.000 1.144 337 D CA -0.327 53.729 54.000 0.092 0.000 1.025 337 D CB -0.835 40.047 40.800 0.136 0.000 1.085 337 D HN 0.308 nan 8.370 nan 0.000 0.506 338 F N 1.356 121.029 119.950 -0.462 0.000 2.186 338 F HA 0.018 2.900 4.527 -2.742 0.000 0.299 338 F C 1.922 177.384 175.800 -0.563 0.000 1.090 338 F CA 0.607 58.018 58.000 -0.982 0.000 1.307 338 F CB -0.552 38.059 39.000 -0.650 0.000 1.019 338 F HN 0.064 nan 8.300 nan 0.000 0.489 339 R N 0.492 120.457 120.500 -0.892 0.000 2.115 339 R HA 0.129 2.823 4.340 -2.743 0.000 0.226 339 R C 1.799 177.914 176.300 -0.309 0.000 1.100 339 R CA 0.903 56.690 56.100 -0.523 0.000 0.980 339 R CB -0.771 29.174 30.300 -0.592 0.000 0.875 339 R HN 0.618 nan 8.270 nan 0.000 0.445 340 G N 0.596 109.235 108.800 -0.269 0.000 2.143 340 G HA2 -0.277 2.038 3.960 -2.743 0.000 0.248 340 G HA3 -0.277 2.038 3.960 -2.743 0.000 0.248 340 G C 0.544 175.371 174.900 -0.121 0.000 0.991 340 G CA 0.783 45.805 45.100 -0.131 0.000 0.689 340 G HN 0.471 nan 8.290 nan 0.000 0.522 341 T N -3.590 110.846 114.554 -0.198 0.000 3.266 341 T HA 0.656 3.360 4.350 -2.743 0.000 0.278 341 T C 1.011 175.452 174.700 -0.430 0.000 1.010 341 T CA 0.163 62.090 62.100 -0.289 0.000 0.909 341 T CB -0.163 68.477 68.868 -0.380 0.000 1.122 341 T HN 0.204 nan 8.240 nan 0.000 0.536 342 F N -0.505 119.358 119.950 -0.145 0.000 2.658 342 F HA 0.324 3.206 4.527 -2.741 0.000 0.293 342 F C 1.771 177.524 175.800 -0.079 0.000 0.986 342 F CA -0.557 57.383 58.000 -0.099 0.000 1.182 342 F CB 0.531 39.464 39.000 -0.111 0.000 0.965 342 F HN 0.260 nan 8.300 nan 0.000 0.659 343 c N 0.933 119.591 118.600 0.096 0.000 2.480 343 c HA 0.511 3.436 4.570 -2.743 0.000 0.317 343 c C 1.947 176.058 174.090 0.036 0.000 1.300 343 c CA 0.327 56.666 56.329 0.017 0.000 1.706 343 c CB -1.392 41.120 42.510 0.003 0.000 1.840 343 c HN 0.879 nan 8.230 nan 0.000 0.596 344 G N 1.289 110.114 108.800 0.042 0.000 4.825 344 G HA2 -0.396 1.918 3.960 -2.743 0.000 0.224 344 G HA3 -0.396 1.918 3.960 -2.743 0.000 0.224 344 G C 0.456 175.380 174.900 0.041 0.000 1.356 344 G CA 0.674 45.803 45.100 0.048 0.000 0.966 344 G HN 0.663 nan 8.290 nan 0.000 0.690 345 Q N 1.216 121.050 119.800 0.057 0.000 2.469 345 Q HA 0.281 2.975 4.340 -2.743 0.000 0.279 345 Q C 1.266 177.293 176.000 0.045 0.000 1.097 345 Q CA 1.079 56.917 55.803 0.058 0.000 0.951 345 Q CB 0.227 29.016 28.738 0.085 0.000 1.297 345 Q HN 0.508 nan 8.270 nan 0.000 0.465 346 N N 1.334 120.056 118.700 0.037 0.000 2.409 346 N HA 0.094 3.189 4.740 -2.743 0.000 0.179 346 N C -0.131 175.396 175.510 0.030 0.000 1.032 346 N CA 0.081 53.145 53.050 0.023 0.000 0.898 346 N CB 0.081 38.578 38.487 0.017 0.000 0.971 346 N HN 0.501 nan 8.380 nan 0.000 0.441 347 L N -0.070 121.185 121.223 0.054 0.000 2.489 347 L HA -0.026 2.669 4.340 -2.743 0.000 0.285 347 L C 0.629 177.539 176.870 0.067 0.000 1.259 347 L CA 0.571 55.456 54.840 0.074 0.000 0.828 347 L CB 0.362 42.483 42.059 0.103 0.000 1.094 347 L HN 0.024 nan 8.230 nan 0.000 0.524 348 T N 1.728 116.341 114.554 0.098 0.000 2.829 348 T HA 0.387 3.091 4.350 -2.743 0.000 0.282 348 T C -0.574 174.259 174.700 0.221 0.000 0.990 348 T CA -0.213 61.922 62.100 0.059 0.000 1.028 348 T CB 0.029 68.959 68.868 0.103 0.000 0.951 348 T HN 0.357 nan 8.240 nan 0.000 0.460 349 F N 4.185 124.219 119.950 0.140 0.000 2.688 349 F HA -0.149 2.732 4.527 -2.743 0.000 0.276 349 F C -1.391 174.484 175.800 0.126 0.000 1.034 349 F CA -0.182 57.909 58.000 0.152 0.000 0.991 349 F CB -1.249 37.827 39.000 0.126 0.000 1.119 349 F HN 0.518 nan 8.300 nan 0.000 0.837 350 P HA -0.214 nan 4.420 nan 0.000 0.214 350 P C 1.865 179.246 177.300 0.135 0.000 1.163 350 P CA 1.369 64.594 63.100 0.208 0.000 0.883 350 P CB 0.332 32.197 31.700 0.276 0.000 0.788 351 L N -0.092 121.175 121.223 0.072 0.000 1.994 351 L HA -0.114 2.581 4.340 -2.743 0.000 0.208 351 L C 2.697 179.589 176.870 0.037 0.000 1.071 351 L CA 2.277 57.087 54.840 -0.049 0.000 0.745 351 L CB -2.077 39.856 42.059 -0.210 0.000 0.892 351 L HN 0.004 nan 8.230 nan 0.000 0.431 352 T N -1.558 113.065 114.554 0.115 0.000 2.788 352 T HA -0.150 2.555 4.350 -2.743 0.000 0.268 352 T C 2.079 176.817 174.700 0.063 0.000 1.044 352 T CA 1.495 63.644 62.100 0.082 0.000 1.139 352 T CB -0.254 68.650 68.868 0.060 0.000 0.867 352 T HN 0.251 nan 8.240 nan 0.000 0.454 353 S N 1.360 117.122 115.700 0.104 0.000 2.382 353 S HA -0.021 2.803 4.470 -2.743 0.000 0.228 353 S C 2.589 177.221 174.600 0.054 0.000 1.027 353 S CA 0.888 59.139 58.200 0.084 0.000 0.991 353 S CB -0.530 62.743 63.200 0.122 0.000 0.823 353 S HN 0.610 nan 8.310 nan 0.000 0.469 354 A N 0.982 123.831 122.820 0.048 0.000 1.933 354 A HA -0.055 2.620 4.320 -2.743 0.000 0.218 354 A C 2.284 179.874 177.584 0.010 0.000 1.175 354 A CA 1.467 53.520 52.037 0.026 0.000 0.628 354 A CB -0.726 18.282 19.000 0.014 0.000 0.814 354 A HN 0.367 nan 8.150 nan 0.000 0.444 355 V N 0.006 119.926 119.914 0.010 0.000 2.379 355 V HA -0.213 2.262 4.120 -2.743 0.000 0.245 355 V C 2.477 178.566 176.094 -0.009 0.000 1.044 355 V CA 2.171 64.470 62.300 -0.002 0.000 1.036 355 V CB -0.621 31.209 31.823 0.011 0.000 0.664 355 V HN 0.665 nan 8.190 nan 0.000 0.453 356 K N 0.082 120.487 120.400 0.008 0.000 2.063 356 K HA -0.245 2.429 4.320 -2.743 0.000 0.208 356 K C 1.854 178.457 176.600 0.006 0.000 1.048 356 K CA 1.976 58.270 56.287 0.012 0.000 0.928 356 K CB -0.240 32.275 32.500 0.025 0.000 0.713 356 K HN 0.456 nan 8.250 nan 0.000 0.442 357 D N 0.279 120.684 120.400 0.009 0.000 2.104 357 D HA -0.154 2.840 4.640 -2.743 0.000 0.194 357 D C 1.983 178.275 176.300 -0.013 0.000 0.994 357 D CA 1.286 55.290 54.000 0.007 0.000 0.830 357 D CB -0.265 40.544 40.800 0.014 0.000 0.959 357 D HN 0.073 nan 8.370 nan 0.000 0.452 358 V N 0.912 120.808 119.914 -0.030 0.000 2.358 358 V HA -0.190 2.285 4.120 -2.743 0.000 0.246 358 V C 2.463 178.485 176.094 -0.121 0.000 1.047 358 V CA 0.896 63.160 62.300 -0.060 0.000 1.035 358 V CB -0.350 31.437 31.823 -0.061 0.000 0.658 358 V HN 0.107 nan 8.190 nan 0.000 0.452 359 L N 0.562 121.698 121.223 -0.146 0.000 2.131 359 L HA -0.075 2.620 4.340 -2.743 0.000 0.210 359 L C 2.431 179.245 176.870 -0.095 0.000 1.092 359 L CA 2.186 56.869 54.840 -0.261 0.000 0.759 359 L CB -1.168 40.805 42.059 -0.143 0.000 0.903 359 L HN 0.329 nan 8.230 nan 0.000 0.435 360 A N -0.385 122.428 122.820 -0.012 0.000 2.169 360 A HA -0.060 2.614 4.320 -2.743 0.000 0.212 360 A C 1.928 179.532 177.584 0.034 0.000 1.153 360 A CA 0.407 52.469 52.037 0.042 0.000 0.756 360 A CB -0.469 18.554 19.000 0.038 0.000 0.813 360 A HN 0.508 nan 8.150 nan 0.000 0.471 361 R N -0.586 119.916 120.500 0.004 0.000 2.752 361 R HA 0.493 3.187 4.340 -2.743 0.000 0.279 361 R C -0.153 176.159 176.300 0.020 0.000 1.212 361 R CA 0.433 56.540 56.100 0.011 0.000 1.169 361 R CB -0.599 29.702 30.300 0.000 0.000 1.286 361 R HN 0.322 nan 8.270 nan 0.000 0.564 362 V N 0.000 119.943 119.914 0.049 0.000 2.409 362 V HA 0.000 2.474 4.120 -2.743 0.000 0.244 362 V CA 0.000 62.347 62.300 0.079 0.000 1.235 362 V CB 0.000 31.852 31.823 0.048 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556