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 3iaa_1_B DATA FIRST_RESID 2 DATA SEQUENCE AHLLIVNVAS HGLILPTLTV VTELVRRGHR VSYVTAGGFA EPVRAAGATV DATA SEQUENCE VPYQSEIIDA DAAEVFGSDD LGVRPHLXYL RENVSVLRAT AEALDGDVPD DATA SEQUENCE LVLYDDFPFI AGQLLAARWR RPAVRLSAAF ASNEHYSFSQ DXVTLAGTID DATA SEQUENCE PLDLPVFRDT LRDLLAEHGL SRSVVDCWNH VEQLNLVFVP KAFQIAGDTF DATA SEQUENCE DDRFVFVGPC FDDRRFLGEW TRPADDLPVV LVSLGTTFND RPGFFRDCAR DATA SEQUENCE AFDGQPWHVV XTLGGQVDPA ALGDLPPNVE AHRWVPHVKV LEQATVCVTH DATA SEQUENCE GGXGTLXEAL YWGRPLVVVP QSFDVQPXAR RVDQLGLGAV LPGEKADGDT DATA SEQUENCE LLAAVGAVAA DPALLARVEA XRGHVRRAGG AARAADAVEA YLARA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.736 177.584 0.253 0.000 1.274 2 A CA 0.000 52.190 52.037 0.255 0.000 0.836 2 A CB 0.000 19.134 19.000 0.223 0.000 0.831 3 H N 2.153 121.258 119.070 0.058 0.000 2.623 3 H HA 0.641 5.191 4.556 -0.010 0.000 0.299 3 H C -1.362 173.974 175.328 0.013 0.000 1.052 3 H CA -0.610 55.455 56.048 0.027 0.000 1.231 3 H CB 0.398 30.151 29.762 -0.016 0.000 1.389 3 H HN 0.539 nan 8.280 nan 0.000 0.469 4 L N 6.553 127.792 121.223 0.027 0.000 2.287 4 L HA 0.241 4.575 4.340 -0.010 0.000 0.287 4 L C -0.560 176.239 176.870 -0.119 0.000 1.022 4 L CA -0.977 53.812 54.840 -0.085 0.000 0.814 4 L CB 1.554 43.590 42.059 -0.037 0.000 1.217 4 L HN 0.449 nan 8.230 nan 0.000 0.420 5 L N 5.321 126.442 121.223 -0.170 0.000 2.282 5 L HA 0.547 4.881 4.340 -0.010 0.000 0.288 5 L C -0.555 176.265 176.870 -0.084 0.000 1.033 5 L CA 0.134 54.913 54.840 -0.101 0.000 0.807 5 L CB 1.084 43.106 42.059 -0.060 0.000 1.209 5 L HN 0.411 nan 8.230 nan 0.000 0.423 6 I N 6.175 126.649 120.570 -0.161 0.000 2.328 6 I HA 0.293 4.457 4.170 -0.010 0.000 0.287 6 I C -0.667 175.230 176.117 -0.367 0.000 1.012 6 I CA -0.838 60.269 61.300 -0.322 0.000 1.195 6 I CB 1.597 39.234 38.000 -0.605 0.000 1.350 6 I HN 0.305 nan 8.210 nan 0.000 0.464 7 V N 6.602 126.407 119.914 -0.181 0.000 2.385 7 V HA 0.402 4.515 4.120 -0.010 0.000 0.269 7 V C 0.057 176.073 176.094 -0.130 0.000 1.043 7 V CA -0.241 61.982 62.300 -0.128 0.000 0.906 7 V CB 0.845 32.657 31.823 -0.019 0.000 0.995 7 V HN 0.700 nan 8.190 nan 0.000 0.467 8 N N 2.320 120.922 118.700 -0.164 0.000 2.732 8 N HA 0.664 5.397 4.740 -0.010 0.000 0.259 8 N C -1.034 174.416 175.510 -0.099 0.000 1.402 8 N CA -0.355 52.643 53.050 -0.085 0.000 0.829 8 N CB 2.602 41.058 38.487 -0.052 0.000 1.495 8 N HN 0.485 nan 8.380 nan 0.000 0.511 9 V N -1.548 118.311 119.914 -0.092 0.000 3.096 9 V HA 0.901 5.014 4.120 -0.010 0.000 0.319 9 V C 0.108 176.147 176.094 -0.092 0.000 1.103 9 V CA -0.996 61.248 62.300 -0.094 0.000 1.016 9 V CB 1.168 32.777 31.823 -0.356 0.000 1.090 9 V HN 0.749 nan 8.190 nan 0.000 0.449 10 A N 2.013 124.840 122.820 0.011 0.000 2.797 10 A HA 0.629 4.943 4.320 -0.010 0.000 0.296 10 A C 0.421 177.852 177.584 -0.254 0.000 1.580 10 A CA 0.640 52.594 52.037 -0.138 0.000 1.277 10 A CB -1.125 17.975 19.000 0.168 0.000 1.101 10 A HN 1.565 nan 8.150 nan 0.000 0.562 11 S N 1.033 116.388 115.700 -0.575 0.000 2.566 11 S HA 0.451 4.914 4.470 -0.010 0.000 0.273 11 S C 0.469 174.836 174.600 -0.388 0.000 1.157 11 S CA -0.567 57.460 58.200 -0.288 0.000 0.938 11 S CB 0.581 63.721 63.200 -0.101 0.000 1.087 11 S HN 0.674 nan 8.310 nan 0.000 0.474 12 H N 3.404 122.432 119.070 -0.070 0.000 2.290 12 H HA 0.003 4.553 4.556 -0.010 0.000 0.298 12 H C 2.229 177.546 175.328 -0.019 0.000 1.087 12 H CA 2.561 58.626 56.048 0.028 0.000 1.291 12 H CB -0.289 29.606 29.762 0.221 0.000 1.369 12 H HN 0.753 nan 8.280 nan 0.000 0.492 13 G N -0.085 108.806 108.800 0.152 0.000 2.485 13 G HA2 -0.218 3.736 3.960 -0.010 0.000 0.221 13 G HA3 -0.218 3.736 3.960 -0.010 0.000 0.221 13 G C 1.234 176.137 174.900 0.005 0.000 1.115 13 G CA 0.975 46.125 45.100 0.083 0.000 0.751 13 G HN 0.185 nan 8.290 nan 0.000 0.567 14 L N -0.355 120.852 121.223 -0.027 0.000 2.416 14 L HA 0.397 4.731 4.340 -0.010 0.000 0.216 14 L C 2.467 179.290 176.870 -0.078 0.000 1.098 14 L CA 0.528 55.347 54.840 -0.036 0.000 0.840 14 L CB 0.006 42.060 42.059 -0.009 0.000 0.981 14 L HN 0.197 nan 8.230 nan 0.000 0.462 15 I N -1.642 118.849 120.570 -0.131 0.000 2.628 15 I HA -0.123 4.041 4.170 -0.010 0.000 0.255 15 I C 2.047 178.109 176.117 -0.091 0.000 1.119 15 I CA 0.429 61.663 61.300 -0.110 0.000 1.448 15 I CB -0.024 37.803 38.000 -0.288 0.000 1.133 15 I HN 0.079 nan 8.210 nan 0.000 0.438 16 L N 1.218 122.403 121.223 -0.063 0.000 2.042 16 L HA -0.144 4.190 4.340 -0.010 0.000 0.210 16 L C -0.327 176.485 176.870 -0.096 0.000 1.076 16 L CA 1.705 56.545 54.840 0.001 0.000 0.749 16 L CB -2.243 39.857 42.059 0.069 0.000 0.893 16 L HN 0.213 nan 8.230 nan 0.000 0.432 17 P HA -0.090 nan 4.420 nan 0.000 0.222 17 P C 1.544 178.512 177.300 -0.552 0.000 1.147 17 P CA 1.169 63.915 63.100 -0.590 0.000 0.790 17 P CB -0.024 30.923 31.700 -1.255 0.000 0.780 18 T N -0.758 113.609 114.554 -0.311 0.000 2.985 18 T HA 0.031 4.375 4.350 -0.010 0.000 0.266 18 T C 1.627 176.360 174.700 0.055 0.000 1.076 18 T CA 0.639 62.719 62.100 -0.035 0.000 1.135 18 T CB -0.644 68.303 68.868 0.131 0.000 0.890 18 T HN 0.036 nan 8.240 nan 0.000 0.480 19 L N 1.374 122.601 121.223 0.006 0.000 1.970 19 L HA -0.154 4.179 4.340 -0.010 0.000 0.212 19 L C 3.082 179.976 176.870 0.039 0.000 1.071 19 L CA 1.928 56.774 54.840 0.010 0.000 0.751 19 L CB -1.359 40.706 42.059 0.011 0.000 0.889 19 L HN 0.409 nan 8.230 nan 0.000 0.432 20 T N -3.128 111.452 114.554 0.043 0.000 2.915 20 T HA -0.089 4.255 4.350 -0.010 0.000 0.269 20 T C 1.761 176.493 174.700 0.053 0.000 1.071 20 T CA 1.038 63.163 62.100 0.041 0.000 1.132 20 T CB -0.625 68.252 68.868 0.015 0.000 0.878 20 T HN 0.096 nan 8.240 nan 0.000 0.479 21 V N 1.310 121.273 119.914 0.081 0.000 2.270 21 V HA -0.136 3.978 4.120 -0.010 0.000 0.245 21 V C 2.908 179.055 176.094 0.088 0.000 1.043 21 V CA 1.383 63.742 62.300 0.099 0.000 1.014 21 V CB -0.860 31.058 31.823 0.158 0.000 0.645 21 V HN 0.378 nan 8.190 nan 0.000 0.447 22 V N 0.283 120.260 119.914 0.105 0.000 2.250 22 V HA -0.348 3.766 4.120 -0.010 0.000 0.250 22 V C 2.602 178.746 176.094 0.084 0.000 1.060 22 V CA 2.851 65.217 62.300 0.109 0.000 1.030 22 V CB -1.177 30.725 31.823 0.132 0.000 0.643 22 V HN 0.642 nan 8.190 nan 0.000 0.445 23 T N -0.783 113.809 114.554 0.064 0.000 2.833 23 T HA -0.211 4.133 4.350 -0.010 0.000 0.269 23 T C 1.874 176.608 174.700 0.057 0.000 1.054 23 T CA 1.697 63.828 62.100 0.052 0.000 1.135 23 T CB -0.177 68.715 68.868 0.040 0.000 0.869 23 T HN 0.564 nan 8.240 nan 0.000 0.466 24 E N 1.147 121.383 120.200 0.060 0.000 2.051 24 E HA 0.045 4.389 4.350 -0.010 0.000 0.189 24 E C 2.017 178.672 176.600 0.091 0.000 0.979 24 E CA 0.823 57.260 56.400 0.061 0.000 0.803 24 E CB -0.559 29.171 29.700 0.049 0.000 0.761 24 E HN 0.430 nan 8.360 nan 0.000 0.451 25 L N -0.261 121.024 121.223 0.104 0.000 2.042 25 L HA -0.161 4.173 4.340 -0.010 0.000 0.210 25 L C 2.460 179.465 176.870 0.225 0.000 1.076 25 L CA 0.982 55.925 54.840 0.171 0.000 0.749 25 L CB -0.470 41.636 42.059 0.078 0.000 0.893 25 L HN 0.083 nan 8.230 nan 0.000 0.432 26 V N -0.272 119.726 119.914 0.141 0.000 2.427 26 V HA -0.267 3.846 4.120 -0.010 0.000 0.248 26 V C 2.637 178.774 176.094 0.072 0.000 1.051 26 V CA 1.619 63.985 62.300 0.110 0.000 1.048 26 V CB -0.654 31.218 31.823 0.081 0.000 0.666 26 V HN 0.443 nan 8.190 nan 0.000 0.456 27 R N 0.354 120.893 120.500 0.066 0.000 2.193 27 R HA -0.107 4.227 4.340 -0.010 0.000 0.229 27 R C 1.819 178.135 176.300 0.027 0.000 1.110 27 R CA 1.171 57.295 56.100 0.041 0.000 0.988 27 R CB -0.023 30.302 30.300 0.041 0.000 0.871 27 R HN 0.461 nan 8.270 nan 0.000 0.458 28 R N -1.032 119.496 120.500 0.046 0.000 2.426 28 R HA 0.150 4.484 4.340 -0.010 0.000 0.263 28 R C 0.677 176.875 176.300 -0.170 0.000 0.961 28 R CA 0.479 56.573 56.100 -0.010 0.000 1.086 28 R CB 0.887 31.236 30.300 0.082 0.000 1.186 28 R HN 0.404 nan 8.270 nan 0.000 0.537 29 G N 0.824 109.556 108.800 -0.114 0.000 2.176 29 G HA2 -0.253 3.701 3.960 -0.010 0.000 0.253 29 G HA3 -0.253 3.701 3.960 -0.010 0.000 0.253 29 G C 0.124 174.918 174.900 -0.177 0.000 0.979 29 G CA -0.165 44.843 45.100 -0.153 0.000 0.641 29 G HN 0.412 nan 8.290 nan 0.000 0.530 30 H N -0.072 119.016 119.070 0.030 0.000 2.603 30 H HA 0.530 5.079 4.556 -0.010 0.000 0.370 30 H C 0.725 176.083 175.328 0.051 0.000 1.225 30 H CA 0.398 56.472 56.048 0.043 0.000 1.410 30 H CB 0.923 30.715 29.762 0.050 0.000 1.495 30 H HN 0.445 nan 8.280 nan 0.000 0.602 31 R N 0.897 121.527 120.500 0.216 0.000 2.480 31 R HA 0.443 4.777 4.340 -0.010 0.000 0.306 31 R C -1.823 174.615 176.300 0.231 0.000 0.958 31 R CA -0.616 55.578 56.100 0.155 0.000 0.861 31 R CB 0.981 31.321 30.300 0.067 0.000 1.171 31 R HN 0.289 nan 8.270 nan 0.000 0.445 32 V N 3.352 123.377 119.914 0.186 0.000 2.448 32 V HA 0.364 4.478 4.120 -0.010 0.000 0.295 32 V C -0.383 175.836 176.094 0.208 0.000 1.025 32 V CA -0.639 61.777 62.300 0.193 0.000 0.859 32 V CB 1.861 33.780 31.823 0.161 0.000 0.988 32 V HN 0.820 nan 8.190 nan 0.000 0.431 33 S N 4.044 119.880 115.700 0.227 0.000 2.462 33 S HA 0.625 5.089 4.470 -0.010 0.000 0.294 33 S C -1.042 173.659 174.600 0.168 0.000 1.144 33 S CA -0.355 57.972 58.200 0.212 0.000 1.088 33 S CB 0.803 64.158 63.200 0.259 0.000 1.009 33 S HN 0.665 nan 8.310 nan 0.000 0.484 34 Y N 2.386 122.729 120.300 0.072 0.000 2.326 34 Y HA 0.427 4.971 4.550 -0.010 0.000 0.329 34 Y C -0.690 175.245 175.900 0.058 0.000 0.973 34 Y CA -0.833 57.297 58.100 0.051 0.000 1.162 34 Y CB 0.879 39.358 38.460 0.031 0.000 1.147 34 Y HN 0.379 nan 8.280 nan 0.000 0.456 35 V N 6.014 126.010 119.914 0.136 0.000 2.439 35 V HA 0.360 4.474 4.120 -0.010 0.000 0.271 35 V C 0.167 176.457 176.094 0.326 0.000 1.040 35 V CA 0.494 62.893 62.300 0.165 0.000 1.002 35 V CB 0.707 32.509 31.823 -0.035 0.000 1.000 35 V HN 0.882 nan 8.190 nan 0.000 0.477 36 T N 3.492 118.291 114.554 0.409 0.000 2.718 36 T HA 0.764 5.108 4.350 -0.010 0.000 0.306 36 T C -1.435 173.454 174.700 0.316 0.000 1.485 36 T CA 0.244 62.592 62.100 0.413 0.000 0.997 36 T CB 1.857 70.879 68.868 0.257 0.000 1.504 36 T HN 1.009 nan 8.240 nan 0.000 0.497 37 A N 0.517 123.444 122.820 0.178 0.000 2.498 37 A HA 0.912 5.226 4.320 -0.010 0.000 0.298 37 A C 0.693 178.297 177.584 0.033 0.000 1.075 37 A CA 0.402 52.414 52.037 -0.041 0.000 0.714 37 A CB 0.936 19.677 19.000 -0.431 0.000 1.299 37 A HN 2.238 nan 8.150 nan 0.000 0.407 38 G N 0.644 109.412 108.800 -0.054 0.000 2.564 38 G HA2 0.086 4.040 3.960 -0.010 0.000 0.273 38 G HA3 0.086 4.040 3.960 -0.010 0.000 0.273 38 G C 1.252 176.064 174.900 -0.146 0.000 1.242 38 G CA 0.755 45.796 45.100 -0.098 0.000 0.951 38 G HN 2.198 nan 8.290 nan 0.000 0.564 39 G N -1.011 107.618 108.800 -0.285 0.000 2.535 39 G HA2 0.159 4.113 3.960 -0.010 0.000 0.218 39 G HA3 0.159 4.113 3.960 -0.010 0.000 0.218 39 G C 1.481 176.151 174.900 -0.384 0.000 1.122 39 G CA 1.542 46.438 45.100 -0.340 0.000 0.769 39 G HN 0.467 nan 8.290 nan 0.000 0.549 40 F N 1.485 121.316 119.950 -0.198 0.000 2.365 40 F HA 0.147 4.668 4.527 -0.010 0.000 0.300 40 F C 2.790 178.434 175.800 -0.260 0.000 1.090 40 F CA 0.230 58.074 58.000 -0.260 0.000 1.408 40 F CB -0.297 38.563 39.000 -0.232 0.000 1.060 40 F HN 0.221 nan 8.300 nan 0.000 0.534 41 A N -0.268 122.526 122.820 -0.042 0.000 1.978 41 A HA -0.237 4.076 4.320 -0.010 0.000 0.220 41 A C 2.241 179.743 177.584 -0.136 0.000 1.170 41 A CA 1.862 53.854 52.037 -0.075 0.000 0.636 41 A CB -0.723 18.250 19.000 -0.046 0.000 0.810 41 A HN 0.440 nan 8.150 nan 0.000 0.448 42 E N -0.410 119.687 120.200 -0.171 0.000 2.028 42 E HA -0.123 4.221 4.350 -0.010 0.000 0.191 42 E C -0.736 175.705 176.600 -0.265 0.000 0.988 42 E CA 1.242 57.529 56.400 -0.189 0.000 0.799 42 E CB -0.407 29.184 29.700 -0.181 0.000 0.755 42 E HN 0.449 nan 8.360 nan 0.000 0.447 43 P HA -0.074 nan 4.420 nan 0.000 0.222 43 P C 1.369 178.423 177.300 -0.410 0.000 1.153 43 P CA 0.673 63.410 63.100 -0.605 0.000 0.798 43 P CB 0.142 31.128 31.700 -1.191 0.000 0.796 44 V N 0.060 119.756 119.914 -0.362 0.000 2.358 44 V HA -0.196 3.918 4.120 -0.010 0.000 0.246 44 V C 2.508 178.467 176.094 -0.224 0.000 1.047 44 V CA 1.703 63.778 62.300 -0.375 0.000 1.035 44 V CB -0.874 30.652 31.823 -0.495 0.000 0.658 44 V HN 0.050 nan 8.190 nan 0.000 0.452 45 R N -0.158 120.243 120.500 -0.165 0.000 2.120 45 R HA -0.086 4.247 4.340 -0.010 0.000 0.234 45 R C 2.316 178.564 176.300 -0.086 0.000 1.123 45 R CA 1.330 57.373 56.100 -0.096 0.000 0.975 45 R CB -0.431 29.824 30.300 -0.076 0.000 0.866 45 R HN 0.540 nan 8.270 nan 0.000 0.446 46 A N 0.620 123.368 122.820 -0.120 0.000 2.014 46 A HA 0.001 4.315 4.320 -0.010 0.000 0.218 46 A C 2.120 179.665 177.584 -0.065 0.000 1.163 46 A CA 1.357 53.340 52.037 -0.090 0.000 0.652 46 A CB -0.232 18.700 19.000 -0.115 0.000 0.808 46 A HN 0.364 nan 8.150 nan 0.000 0.449 47 A N -1.931 120.837 122.820 -0.086 0.000 2.206 47 A HA 0.400 4.714 4.320 -0.010 0.000 0.211 47 A C 1.751 179.329 177.584 -0.010 0.000 1.158 47 A CA 1.374 53.385 52.037 -0.044 0.000 0.761 47 A CB -0.620 18.341 19.000 -0.065 0.000 0.801 47 A HN 1.736 nan 8.150 nan 0.000 0.473 48 G N -2.653 106.139 108.800 -0.014 0.000 2.192 48 G HA2 0.186 4.140 3.960 -0.010 0.000 0.193 48 G HA3 0.186 4.140 3.960 -0.010 0.000 0.193 48 G C 0.331 175.249 174.900 0.030 0.000 0.999 48 G CA 0.066 45.173 45.100 0.012 0.000 0.659 48 G HN 1.459 nan 8.290 nan 0.000 0.503 49 A N 0.441 123.279 122.820 0.030 0.000 2.316 49 A HA 0.763 5.076 4.320 -0.010 0.000 0.284 49 A C 0.553 178.173 177.584 0.060 0.000 1.115 49 A CA 0.652 52.736 52.037 0.079 0.000 0.812 49 A CB 0.586 19.672 19.000 0.145 0.000 1.064 49 A HN 0.684 nan 8.150 nan 0.000 0.489 50 T N 1.699 116.306 114.554 0.088 0.000 2.832 50 T HA 0.386 4.729 4.350 -0.010 0.000 0.296 50 T C 0.092 174.857 174.700 0.108 0.000 0.968 50 T CA -0.198 61.946 62.100 0.073 0.000 1.107 50 T CB 0.775 69.679 68.868 0.061 0.000 0.916 50 T HN 0.384 nan 8.240 nan 0.000 0.517 51 V N 4.409 124.370 119.914 0.079 0.000 2.461 51 V HA 0.199 4.313 4.120 -0.010 0.000 0.275 51 V C 0.203 176.367 176.094 0.116 0.000 1.047 51 V CA -0.492 61.869 62.300 0.103 0.000 0.955 51 V CB 1.362 33.217 31.823 0.052 0.000 0.988 51 V HN 0.688 nan 8.190 nan 0.000 0.471 52 V N 8.474 128.483 119.914 0.158 0.000 2.277 52 V HA 0.289 4.403 4.120 -0.010 0.000 0.269 52 V C -2.217 173.987 176.094 0.183 0.000 1.036 52 V CA -1.751 60.639 62.300 0.150 0.000 0.821 52 V CB 1.129 33.042 31.823 0.149 0.000 1.052 52 V HN 0.758 nan 8.190 nan 0.000 0.462 53 P HA 0.288 nan 4.420 nan 0.000 0.272 53 P C -1.178 176.260 177.300 0.230 0.000 1.223 53 P CA 0.128 63.322 63.100 0.156 0.000 0.784 53 P CB 0.381 32.125 31.700 0.073 0.000 0.923 54 Y N -0.937 119.390 120.300 0.045 0.000 2.625 54 Y HA 0.637 5.181 4.550 -0.010 0.000 0.338 54 Y C -0.997 174.922 175.900 0.032 0.000 1.123 54 Y CA -1.715 56.406 58.100 0.036 0.000 1.046 54 Y CB 0.915 39.394 38.460 0.033 0.000 1.299 54 Y HN 0.150 nan 8.280 nan 0.000 0.464 55 Q N 2.243 121.994 119.800 -0.081 0.000 2.349 55 Q HA 0.455 4.788 4.340 -0.010 0.000 0.254 55 Q C -0.956 174.913 176.000 -0.218 0.000 0.980 55 Q CA -0.028 55.671 55.803 -0.173 0.000 0.924 55 Q CB 1.073 29.797 28.738 -0.023 0.000 1.209 55 Q HN 0.747 nan 8.270 nan 0.000 0.445 56 S N 3.278 118.744 115.700 -0.390 0.000 2.475 56 S HA 0.308 4.772 4.470 -0.010 0.000 0.298 56 S C 0.297 174.875 174.600 -0.036 0.000 1.119 56 S CA -0.451 57.629 58.200 -0.200 0.000 1.085 56 S CB 1.026 64.027 63.200 -0.332 0.000 1.028 56 S HN 0.807 nan 8.310 nan 0.000 0.489 57 E N 2.955 123.188 120.200 0.056 0.000 2.075 57 E HA -0.012 4.332 4.350 -0.010 0.000 0.190 57 E C 1.868 178.512 176.600 0.073 0.000 0.969 57 E CA 1.065 57.503 56.400 0.063 0.000 0.815 57 E CB -0.196 29.560 29.700 0.092 0.000 0.776 57 E HN 0.893 nan 8.360 nan 0.000 0.457 58 I N -0.153 120.478 120.570 0.101 0.000 2.423 58 I HA -0.214 3.949 4.170 -0.010 0.000 0.254 58 I C 2.426 178.599 176.117 0.093 0.000 1.151 58 I CA 1.049 62.414 61.300 0.108 0.000 1.421 58 I CB -0.313 37.748 38.000 0.100 0.000 1.079 58 I HN 0.053 nan 8.210 nan 0.000 0.431 59 I N 2.803 123.422 120.570 0.082 0.000 2.194 59 I HA -0.338 3.825 4.170 -0.010 0.000 0.246 59 I C 1.097 177.275 176.117 0.102 0.000 1.093 59 I CA 2.538 63.907 61.300 0.115 0.000 1.355 59 I CB -0.181 37.867 38.000 0.081 0.000 1.046 59 I HN 0.574 nan 8.210 nan 0.000 0.413 60 D N 0.098 120.539 120.400 0.067 0.000 2.535 60 D HA 0.304 4.938 4.640 -0.010 0.000 0.229 60 D C 0.279 176.611 176.300 0.054 0.000 1.238 60 D CA -0.184 53.850 54.000 0.058 0.000 0.824 60 D CB -0.003 40.818 40.800 0.035 0.000 1.045 60 D HN 0.223 nan 8.370 nan 0.000 0.500 61 A N 0.444 123.302 122.820 0.064 0.000 2.371 61 A HA 0.383 4.697 4.320 -0.010 0.000 0.257 61 A C -0.236 177.378 177.584 0.049 0.000 1.089 61 A CA -0.435 51.638 52.037 0.060 0.000 0.794 61 A CB 0.409 19.456 19.000 0.078 0.000 1.029 61 A HN 0.130 nan 8.150 nan 0.000 0.488 62 D N 1.807 122.231 120.400 0.041 0.000 2.380 62 D HA 0.506 5.140 4.640 -0.010 0.000 0.230 62 D C 1.069 177.384 176.300 0.026 0.000 1.154 62 D CA 0.505 54.518 54.000 0.021 0.000 0.859 62 D CB 1.069 41.889 40.800 0.032 0.000 1.045 62 D HN 0.520 nan 8.370 nan 0.000 0.495 63 A N 4.260 127.042 122.820 -0.063 0.000 1.873 63 A HA -0.162 4.152 4.320 -0.010 0.000 0.218 63 A C 2.192 179.871 177.584 0.157 0.000 1.193 63 A CA 2.110 54.108 52.037 -0.064 0.000 0.629 63 A CB -1.047 17.547 19.000 -0.678 0.000 0.826 63 A HN 0.686 nan 8.150 nan 0.000 0.447 64 A N -0.657 122.195 122.820 0.052 0.000 1.908 64 A HA -0.237 4.077 4.320 -0.010 0.000 0.218 64 A C 2.054 179.806 177.584 0.279 0.000 1.181 64 A CA 2.099 54.337 52.037 0.334 0.000 0.627 64 A CB -0.573 18.582 19.000 0.259 0.000 0.818 64 A HN 0.718 nan 8.150 nan 0.000 0.445 65 E N -0.607 119.694 120.200 0.170 0.000 2.107 65 E HA -0.078 4.266 4.350 -0.010 0.000 0.191 65 E C 1.812 178.484 176.600 0.120 0.000 0.982 65 E CA 1.031 57.507 56.400 0.127 0.000 0.809 65 E CB -0.067 29.682 29.700 0.081 0.000 0.756 65 E HN 0.297 nan 8.360 nan 0.000 0.459 66 V N 0.265 120.253 119.914 0.123 0.000 2.307 66 V HA -0.203 3.911 4.120 -0.010 0.000 0.245 66 V C 1.670 177.746 176.094 -0.030 0.000 1.045 66 V CA 1.589 63.901 62.300 0.021 0.000 1.024 66 V CB -0.442 31.361 31.823 -0.034 0.000 0.651 66 V HN 0.322 nan 8.190 nan 0.000 0.449 67 F N 0.674 120.716 119.950 0.152 0.000 2.802 67 F HA 0.149 4.670 4.527 -0.010 0.000 0.300 67 F C 2.021 177.879 175.800 0.097 0.000 1.168 67 F CA 0.897 58.984 58.000 0.145 0.000 1.433 67 F CB -0.391 38.778 39.000 0.282 0.000 1.115 67 F HN 0.199 nan 8.300 nan 0.000 0.582 68 G N -1.483 107.450 108.800 0.221 0.000 2.656 68 G HA2 -0.084 3.870 3.960 -0.010 0.000 0.211 68 G HA3 -0.084 3.870 3.960 -0.010 0.000 0.211 68 G C 1.738 176.685 174.900 0.079 0.000 1.137 68 G CA 0.495 45.682 45.100 0.145 0.000 0.802 68 G HN 0.215 nan 8.290 nan 0.000 0.527 69 S N 0.884 116.617 115.700 0.054 0.000 2.389 69 S HA -0.129 4.334 4.470 -0.010 0.000 0.229 69 S C 0.950 175.561 174.600 0.018 0.000 1.048 69 S CA 1.967 60.182 58.200 0.026 0.000 1.117 69 S CB -0.308 62.895 63.200 0.004 0.000 1.020 69 S HN 0.836 nan 8.310 nan 0.000 0.430 70 D N -0.684 119.718 120.400 0.004 0.000 2.533 70 D HA 0.446 5.080 4.640 -0.010 0.000 0.247 70 D C -0.456 175.843 176.300 -0.002 0.000 1.056 70 D CA -0.617 53.382 54.000 -0.001 0.000 1.054 70 D CB 0.679 41.472 40.800 -0.012 0.000 1.400 70 D HN 0.075 nan 8.370 nan 0.000 0.533 71 D N -0.164 120.234 120.400 -0.005 0.000 2.339 71 D HA 0.008 4.642 4.640 -0.010 0.000 0.217 71 D C 1.078 177.366 176.300 -0.020 0.000 1.050 71 D CA 0.040 54.036 54.000 -0.005 0.000 0.856 71 D CB 0.025 40.824 40.800 -0.002 0.000 0.922 71 D HN 0.230 nan 8.370 nan 0.000 0.518 72 L N -0.272 120.933 121.223 -0.030 0.000 2.638 72 L HA 0.412 4.746 4.340 -0.010 0.000 0.232 72 L C 1.657 178.473 176.870 -0.089 0.000 1.099 72 L CA 0.695 55.512 54.840 -0.038 0.000 0.883 72 L CB 0.175 42.224 42.059 -0.017 0.000 1.136 72 L HN 0.293 nan 8.230 nan 0.000 0.492 73 G N -0.689 108.030 108.800 -0.133 0.000 2.160 73 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.244 73 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.244 73 G C 0.974 175.636 174.900 -0.396 0.000 1.022 73 G CA 0.367 45.286 45.100 -0.301 0.000 0.741 73 G HN 0.111 nan 8.290 nan 0.000 0.508 74 V N 0.158 119.983 119.914 -0.149 0.000 2.343 74 V HA -0.203 3.911 4.120 -0.010 0.000 0.247 74 V C 2.855 178.930 176.094 -0.032 0.000 1.051 74 V CA 2.900 65.182 62.300 -0.030 0.000 1.036 74 V CB -0.455 31.378 31.823 0.017 0.000 0.654 74 V HN 0.621 nan 8.190 nan 0.000 0.451 75 R N 0.335 120.784 120.500 -0.084 0.000 2.073 75 R HA -0.131 4.203 4.340 -0.010 0.000 0.234 75 R C 0.028 176.265 176.300 -0.105 0.000 1.134 75 R CA 1.806 57.865 56.100 -0.067 0.000 0.952 75 R CB -1.288 28.968 30.300 -0.073 0.000 0.850 75 R HN 0.440 nan 8.270 nan 0.000 0.433 76 P HA -0.157 nan 4.420 nan 0.000 0.214 76 P C 0.700 178.000 177.300 0.001 0.000 1.163 76 P CA 1.378 64.266 63.100 -0.355 0.000 0.883 76 P CB -0.170 31.031 31.700 -0.832 0.000 0.788 77 H N -0.871 118.219 119.070 0.033 0.000 2.352 77 H HA -0.031 4.519 4.556 -0.010 0.000 0.299 77 H C 1.393 176.959 175.328 0.397 0.000 1.097 77 H CA 0.682 56.831 56.048 0.169 0.000 1.311 77 H CB -1.219 28.549 29.762 0.009 0.000 1.377 77 H HN 0.120 nan 8.280 nan 0.000 0.504 81 L N 1.227 122.588 121.223 0.230 0.000 2.046 81 L HA -0.196 4.137 4.340 -0.010 0.000 0.208 81 L C 2.303 179.151 176.870 -0.037 0.000 1.077 81 L CA 1.945 56.774 54.840 -0.018 0.000 0.747 81 L CB -0.406 41.579 42.059 -0.123 0.000 0.896 81 L HN 0.257 nan 8.230 nan 0.000 0.432 82 R N -0.318 120.208 120.500 0.045 0.000 2.083 82 R HA -0.244 4.090 4.340 -0.010 0.000 0.237 82 R C 2.183 178.524 176.300 0.068 0.000 1.137 82 R CA 1.755 57.885 56.100 0.050 0.000 0.951 82 R CB -0.314 30.034 30.300 0.081 0.000 0.851 82 R HN 0.267 nan 8.270 nan 0.000 0.434 83 E N 0.837 121.110 120.200 0.122 0.000 2.077 83 E HA -0.148 4.196 4.350 -0.010 0.000 0.193 83 E C 1.641 178.274 176.600 0.054 0.000 0.989 83 E CA 1.300 57.804 56.400 0.174 0.000 0.800 83 E CB -0.100 29.792 29.700 0.320 0.000 0.746 83 E HN 0.263 nan 8.360 nan 0.000 0.452 84 N N -0.455 118.213 118.700 -0.055 0.000 2.120 84 N HA -0.139 4.594 4.740 -0.010 0.000 0.188 84 N C 1.793 177.209 175.510 -0.158 0.000 1.024 84 N CA 1.579 54.529 53.050 -0.166 0.000 0.852 84 N CB 0.027 38.331 38.487 -0.304 0.000 1.003 84 N HN 0.098 nan 8.380 nan 0.000 0.424 85 V N 0.686 120.534 119.914 -0.111 0.000 2.358 85 V HA -0.163 3.951 4.120 -0.010 0.000 0.246 85 V C 2.543 178.612 176.094 -0.041 0.000 1.047 85 V CA 1.525 63.773 62.300 -0.088 0.000 1.035 85 V CB -0.579 31.212 31.823 -0.054 0.000 0.658 85 V HN 0.310 nan 8.190 nan 0.000 0.452 86 S N -0.363 115.345 115.700 0.014 0.000 2.383 86 S HA -0.167 4.297 4.470 -0.010 0.000 0.229 86 S C 1.946 176.584 174.600 0.063 0.000 1.030 86 S CA 1.895 60.148 58.200 0.087 0.000 1.002 86 S CB -0.167 63.145 63.200 0.187 0.000 0.829 86 S HN 0.328 nan 8.310 nan 0.000 0.467 87 V N 1.829 121.689 119.914 -0.090 0.000 2.379 87 V HA -0.051 4.063 4.120 -0.010 0.000 0.245 87 V C 2.377 178.363 176.094 -0.181 0.000 1.044 87 V CA 1.557 63.686 62.300 -0.286 0.000 1.036 87 V CB -0.643 30.902 31.823 -0.464 0.000 0.664 87 V HN 0.524 nan 8.190 nan 0.000 0.453 88 L N 0.572 121.689 121.223 -0.177 0.000 2.017 88 L HA -0.147 4.187 4.340 -0.010 0.000 0.208 88 L C 2.523 179.324 176.870 -0.114 0.000 1.073 88 L CA 1.986 56.705 54.840 -0.203 0.000 0.745 88 L CB -0.803 41.089 42.059 -0.278 0.000 0.894 88 L HN 0.174 nan 8.230 nan 0.000 0.432 89 R N -0.566 119.906 120.500 -0.047 0.000 2.115 89 R HA -0.029 4.305 4.340 -0.010 0.000 0.230 89 R C 2.139 178.462 176.300 0.039 0.000 1.111 89 R CA 1.138 57.245 56.100 0.012 0.000 0.976 89 R CB -0.516 29.802 30.300 0.031 0.000 0.870 89 R HN 0.549 nan 8.270 nan 0.000 0.445 90 A N 0.217 123.066 122.820 0.048 0.000 1.970 90 A HA -0.055 4.259 4.320 -0.010 0.000 0.216 90 A C 2.046 179.686 177.584 0.093 0.000 1.170 90 A CA 1.298 53.387 52.037 0.088 0.000 0.645 90 A CB -0.290 18.797 19.000 0.145 0.000 0.816 90 A HN 0.193 nan 8.150 nan 0.000 0.447 91 T N 0.145 114.737 114.554 0.064 0.000 2.851 91 T HA 0.109 4.452 4.350 -0.010 0.000 0.262 91 T C 2.282 177.112 174.700 0.215 0.000 1.043 91 T CA 1.220 63.391 62.100 0.118 0.000 1.140 91 T CB -0.371 68.528 68.868 0.053 0.000 0.872 91 T HN 0.528 nan 8.240 nan 0.000 0.446 92 A N 1.931 124.828 122.820 0.128 0.000 1.883 92 A HA -0.169 4.144 4.320 -0.010 0.000 0.217 92 A C 2.198 179.920 177.584 0.229 0.000 1.186 92 A CA 1.736 53.897 52.037 0.206 0.000 0.624 92 A CB -0.653 18.375 19.000 0.048 0.000 0.822 92 A HN 0.557 nan 8.150 nan 0.000 0.444 93 E N -0.375 119.910 120.200 0.142 0.000 2.070 93 E HA -0.187 4.157 4.350 -0.010 0.000 0.197 93 E C 2.331 179.005 176.600 0.123 0.000 1.004 93 E CA 1.185 57.655 56.400 0.117 0.000 0.805 93 E CB -0.314 29.437 29.700 0.086 0.000 0.744 93 E HN 0.627 nan 8.360 nan 0.000 0.451 94 A N 0.655 123.554 122.820 0.133 0.000 1.898 94 A HA -0.079 4.235 4.320 -0.010 0.000 0.216 94 A C 1.894 179.546 177.584 0.114 0.000 1.181 94 A CA 1.042 53.149 52.037 0.115 0.000 0.620 94 A CB -0.110 18.962 19.000 0.120 0.000 0.819 94 A HN 0.156 nan 8.150 nan 0.000 0.442 95 L N -0.920 120.404 121.223 0.168 0.000 3.014 95 L HA 0.174 4.508 4.340 -0.010 0.000 0.263 95 L C 0.631 177.499 176.870 -0.003 0.000 1.207 95 L CA -0.184 54.697 54.840 0.069 0.000 1.017 95 L CB 0.284 42.364 42.059 0.035 0.000 1.360 95 L HN 0.145 nan 8.230 nan 0.000 0.560 96 D N 1.242 121.749 120.400 0.178 0.000 2.219 96 D HA -0.088 4.545 4.640 -0.010 0.000 0.205 96 D C 1.914 178.224 176.300 0.017 0.000 0.970 96 D CA 1.387 55.510 54.000 0.204 0.000 0.851 96 D CB 0.375 41.316 40.800 0.235 0.000 0.943 96 D HN 0.383 nan 8.370 nan 0.000 0.488 97 G N -0.741 108.055 108.800 -0.006 0.000 3.126 97 G HA2 -0.045 3.909 3.960 -0.010 0.000 0.224 97 G HA3 -0.045 3.909 3.960 -0.010 0.000 0.224 97 G C 0.242 175.099 174.900 -0.072 0.000 1.142 97 G CA -0.125 44.956 45.100 -0.032 0.000 0.759 97 G HN -0.002 nan 8.290 nan 0.000 0.550 98 D N 0.828 121.162 120.400 -0.111 0.000 2.861 98 D HA 0.207 4.841 4.640 -0.010 0.000 0.357 98 D C 0.101 176.295 176.300 -0.176 0.000 1.250 98 D CA -0.461 53.479 54.000 -0.100 0.000 0.802 98 D CB 0.546 41.316 40.800 -0.049 0.000 1.141 98 D HN -0.130 nan 8.370 nan 0.000 0.489 99 V N 2.851 122.547 119.914 -0.364 0.000 2.557 99 V HA 0.123 4.237 4.120 -0.010 0.000 0.301 99 V C -1.661 174.198 176.094 -0.392 0.000 1.026 99 V CA -0.532 61.351 62.300 -0.695 0.000 1.137 99 V CB 0.393 31.845 31.823 -0.619 0.000 0.917 99 V HN 0.363 nan 8.190 nan 0.000 0.484 100 P HA 0.202 nan 4.420 nan 0.000 0.274 100 P C 0.168 177.347 177.300 -0.201 0.000 1.237 100 P CA -0.333 62.479 63.100 -0.481 0.000 0.793 100 P CB 0.648 32.037 31.700 -0.519 0.000 0.977 101 D N 0.166 120.497 120.400 -0.116 0.000 2.348 101 D HA 0.104 4.738 4.640 -0.010 0.000 0.211 101 D C 0.120 176.414 176.300 -0.010 0.000 0.998 101 D CA 0.904 54.883 54.000 -0.034 0.000 0.873 101 D CB 0.288 41.089 40.800 0.001 0.000 0.925 101 D HN 0.094 nan 8.370 nan 0.000 0.524 102 L N 0.822 122.031 121.223 -0.024 0.000 2.562 102 L HA 0.244 4.577 4.340 -0.010 0.000 0.266 102 L C -1.415 175.474 176.870 0.032 0.000 0.949 102 L CA -0.641 54.217 54.840 0.029 0.000 0.879 102 L CB 2.387 44.459 42.059 0.022 0.000 1.278 102 L HN -0.370 nan 8.230 nan 0.000 0.404 103 V N 6.150 126.127 119.914 0.106 0.000 2.350 103 V HA 0.466 4.580 4.120 -0.010 0.000 0.276 103 V C -0.366 175.793 176.094 0.108 0.000 1.028 103 V CA -0.356 62.025 62.300 0.134 0.000 0.860 103 V CB 1.303 33.252 31.823 0.210 0.000 0.990 103 V HN 0.514 nan 8.190 nan 0.000 0.453 104 L N 7.217 128.459 121.223 0.032 0.000 2.313 104 L HA 0.627 4.960 4.340 -0.010 0.000 0.283 104 L C -0.619 176.247 176.870 -0.007 0.000 1.013 104 L CA -0.371 54.429 54.840 -0.066 0.000 0.816 104 L CB 1.213 43.207 42.059 -0.109 0.000 1.236 104 L HN 0.709 nan 8.230 nan 0.000 0.419 105 Y N -0.673 119.601 120.300 -0.043 0.000 2.421 105 Y HA 0.646 5.191 4.550 -0.009 0.000 0.339 105 Y C -0.484 175.430 175.900 0.023 0.000 0.996 105 Y CA -1.627 56.459 58.100 -0.024 0.000 1.046 105 Y CB 1.012 39.470 38.460 -0.004 0.000 1.226 105 Y HN 0.621 nan 8.280 nan 0.000 0.445 106 D N 2.061 122.565 120.400 0.173 0.000 2.362 106 D HA -0.020 4.614 4.640 -0.010 0.000 0.238 106 D C 0.705 177.199 176.300 0.323 0.000 1.212 106 D CA 0.428 54.539 54.000 0.184 0.000 0.902 106 D CB 0.950 41.852 40.800 0.170 0.000 1.180 106 D HN 0.704 nan 8.370 nan 0.000 0.445 107 D N 1.313 121.869 120.400 0.260 0.000 2.133 107 D HA -0.227 4.407 4.640 -0.010 0.000 0.192 107 D C 1.667 178.203 176.300 0.394 0.000 1.001 107 D CA 1.016 55.164 54.000 0.247 0.000 0.844 107 D CB -0.350 40.557 40.800 0.178 0.000 0.944 107 D HN 0.426 nan 8.370 nan 0.000 0.447 108 F N 1.617 121.749 119.950 0.303 0.000 2.046 108 F HA -0.107 4.414 4.527 -0.010 0.000 0.297 108 F C -1.108 174.866 175.800 0.290 0.000 1.123 108 F CA 0.886 59.114 58.000 0.379 0.000 1.199 108 F CB -1.092 38.082 39.000 0.290 0.000 0.972 108 F HN -0.014 nan 8.300 nan 0.000 0.474 109 P HA 0.045 nan 4.420 nan 0.000 0.244 109 P C 0.727 178.056 177.300 0.049 0.000 1.632 109 P CA 0.091 63.301 63.100 0.184 0.000 0.944 109 P CB -1.277 30.471 31.700 0.081 0.000 1.569 110 F N -1.159 118.781 119.950 -0.016 0.000 2.269 110 F HA -0.066 4.456 4.527 -0.008 0.000 0.301 110 F C 1.582 177.153 175.800 -0.382 0.000 1.082 110 F CA 0.792 58.675 58.000 -0.195 0.000 1.360 110 F CB -1.395 37.655 39.000 0.083 0.000 1.041 110 F HN -0.162 nan 8.300 nan 0.000 0.512 111 I N 1.199 121.140 120.570 -1.048 0.000 2.163 111 I HA -0.223 3.941 4.170 -0.010 0.000 0.240 111 I C 2.889 178.659 176.117 -0.578 0.000 1.081 111 I CA 1.298 62.087 61.300 -0.851 0.000 1.353 111 I CB -0.989 36.625 38.000 -0.644 0.000 1.054 111 I HN 0.296 nan 8.210 nan 0.000 0.407 112 A N 0.935 123.472 122.820 -0.472 0.000 1.978 112 A HA -0.141 4.173 4.320 -0.010 0.000 0.220 112 A C 2.398 179.705 177.584 -0.461 0.000 1.170 112 A CA 1.948 53.735 52.037 -0.417 0.000 0.636 112 A CB -1.388 17.423 19.000 -0.315 0.000 0.810 112 A HN 0.491 nan 8.150 nan 0.000 0.448 113 G N -0.936 107.517 108.800 -0.578 0.000 2.404 113 G HA2 -0.201 3.752 3.960 -0.010 0.000 0.215 113 G HA3 -0.201 3.752 3.960 -0.010 0.000 0.215 113 G C 1.617 176.094 174.900 -0.704 0.000 1.174 113 G CA 0.932 45.567 45.100 -0.775 0.000 0.780 113 G HN 0.635 nan 8.290 nan 0.000 0.537 114 Q N -0.189 119.178 119.800 -0.721 0.000 2.046 114 Q HA 0.065 4.399 4.340 -0.010 0.000 0.200 114 Q C 2.694 178.481 176.000 -0.356 0.000 0.975 114 Q CA 0.824 56.364 55.803 -0.437 0.000 0.836 114 Q CB -0.273 28.224 28.738 -0.401 0.000 0.896 114 Q HN 0.419 nan 8.270 nan 0.000 0.428 115 L N 0.415 121.391 121.223 -0.412 0.000 2.083 115 L HA -0.211 4.123 4.340 -0.010 0.000 0.209 115 L C 2.344 178.950 176.870 -0.439 0.000 1.083 115 L CA 0.933 55.529 54.840 -0.407 0.000 0.752 115 L CB -0.430 41.318 42.059 -0.519 0.000 0.899 115 L HN 0.256 nan 8.230 nan 0.000 0.433 116 L N -0.470 120.458 121.223 -0.492 0.000 2.027 116 L HA -0.185 4.149 4.340 -0.010 0.000 0.206 116 L C 2.905 179.488 176.870 -0.479 0.000 1.074 116 L CA 1.197 55.638 54.840 -0.664 0.000 0.745 116 L CB -0.683 41.021 42.059 -0.592 0.000 0.898 116 L HN 0.238 nan 8.230 nan 0.000 0.433 117 A N -0.056 122.636 122.820 -0.214 0.000 1.902 117 A HA -0.188 4.126 4.320 -0.010 0.000 0.217 117 A C 2.493 180.053 177.584 -0.040 0.000 1.181 117 A CA 1.816 53.838 52.037 -0.025 0.000 0.623 117 A CB -0.692 18.335 19.000 0.046 0.000 0.818 117 A HN 0.423 nan 8.150 nan 0.000 0.443 118 A N -0.115 122.633 122.820 -0.120 0.000 1.898 118 A HA -0.143 4.171 4.320 -0.010 0.000 0.216 118 A C 2.243 179.777 177.584 -0.082 0.000 1.181 118 A CA 1.706 53.689 52.037 -0.089 0.000 0.620 118 A CB -0.526 18.402 19.000 -0.119 0.000 0.819 118 A HN 0.603 nan 8.150 nan 0.000 0.442 119 R N -1.603 118.783 120.500 -0.190 0.000 2.091 119 R HA -0.184 4.150 4.340 -0.010 0.000 0.238 119 R C 1.266 177.544 176.300 -0.038 0.000 1.136 119 R CA 1.947 57.927 56.100 -0.201 0.000 0.959 119 R CB -0.249 29.780 30.300 -0.452 0.000 0.856 119 R HN 0.644 nan 8.270 nan 0.000 0.437 120 W N 0.648 121.943 121.300 -0.009 0.000 3.278 120 W HA 0.319 4.974 4.660 -0.009 0.000 0.308 120 W C 0.002 176.519 176.519 -0.004 0.000 1.253 120 W CA -0.471 56.871 57.345 -0.005 0.000 1.759 120 W CB -0.105 29.350 29.460 -0.009 0.000 1.093 120 W HN 0.131 nan 8.180 nan 0.000 0.648 121 R N 1.417 122.020 120.500 0.172 0.000 3.146 121 R HA -0.191 4.142 4.340 -0.010 0.000 0.250 121 R C -0.231 176.138 176.300 0.115 0.000 0.912 121 R CA 0.607 56.771 56.100 0.107 0.000 0.633 121 R CB -1.209 29.140 30.300 0.082 0.000 1.180 121 R HN -0.122 nan 8.270 nan 0.000 0.464 122 R N 0.103 120.684 120.500 0.135 0.000 2.750 122 R HA 0.450 4.784 4.340 -0.010 0.000 0.281 122 R C -2.380 173.986 176.300 0.111 0.000 0.972 122 R CA -2.525 53.649 56.100 0.124 0.000 0.912 122 R CB 1.105 31.517 30.300 0.186 0.000 1.187 122 R HN -0.047 nan 8.270 nan 0.000 0.464 123 P HA 0.198 nan 4.420 nan 0.000 0.269 123 P C -1.039 176.395 177.300 0.223 0.000 1.209 123 P CA -0.090 63.081 63.100 0.117 0.000 0.776 123 P CB 0.701 32.381 31.700 -0.033 0.000 0.876 124 A N 1.813 124.810 122.820 0.294 0.000 2.423 124 A HA 0.744 5.057 4.320 -0.010 0.000 0.304 124 A C -1.208 176.418 177.584 0.069 0.000 1.104 124 A CA -0.596 51.585 52.037 0.240 0.000 0.757 124 A CB 1.368 20.581 19.000 0.355 0.000 1.313 124 A HN 0.315 nan 8.150 nan 0.000 0.423 125 V N 0.994 120.817 119.914 -0.152 0.000 2.686 125 V HA 0.556 4.670 4.120 -0.010 0.000 0.306 125 V C -0.094 175.611 176.094 -0.649 0.000 1.065 125 V CA -0.638 61.418 62.300 -0.407 0.000 0.894 125 V CB 1.782 33.384 31.823 -0.369 0.000 1.004 125 V HN 0.998 nan 8.190 nan 0.000 0.424 126 R N 3.568 123.665 120.500 -0.671 0.000 2.474 126 R HA 0.800 5.134 4.340 -0.010 0.000 0.295 126 R C -1.487 174.566 176.300 -0.412 0.000 0.980 126 R CA -0.567 55.099 56.100 -0.724 0.000 0.934 126 R CB 1.173 31.158 30.300 -0.525 0.000 1.101 126 R HN 0.715 nan 8.270 nan 0.000 0.469 127 L N 2.432 123.499 121.223 -0.260 0.000 2.341 127 L HA 0.474 4.808 4.340 -0.010 0.000 0.278 127 L C -0.647 176.226 176.870 0.006 0.000 1.005 127 L CA -0.749 54.029 54.840 -0.104 0.000 0.818 127 L CB 2.246 44.335 42.059 0.050 0.000 1.259 127 L HN 0.603 nan 8.230 nan 0.000 0.418 128 S N 1.221 116.923 115.700 0.002 0.000 2.596 128 S HA 0.502 4.965 4.470 -0.010 0.000 0.318 128 S C 0.585 175.294 174.600 0.181 0.000 1.097 128 S CA -0.441 57.792 58.200 0.054 0.000 1.080 128 S CB 1.880 65.057 63.200 -0.038 0.000 0.991 128 S HN 0.752 nan 8.310 nan 0.000 0.471 129 A N 2.024 124.950 122.820 0.177 0.000 2.267 129 A HA 0.697 5.011 4.320 -0.010 0.000 0.213 129 A C 1.056 178.642 177.584 0.004 0.000 1.192 129 A CA 0.586 52.721 52.037 0.164 0.000 0.851 129 A CB -0.031 19.014 19.000 0.074 0.000 0.881 129 A HN 0.805 nan 8.150 nan 0.000 0.494 130 A N -0.806 121.944 122.820 -0.116 0.000 3.837 130 A HA 0.756 5.070 4.320 -0.010 0.000 0.159 130 A C -0.628 176.655 177.584 -0.502 0.000 1.157 130 A CA -0.604 51.197 52.037 -0.393 0.000 0.890 130 A CB -0.227 18.449 19.000 -0.539 0.000 1.553 130 A HN 0.143 nan 8.150 nan 0.000 0.642 131 F N 0.595 120.134 119.950 -0.686 0.000 2.471 131 F HA 0.485 5.006 4.527 -0.011 0.000 0.353 131 F C 1.126 176.786 175.800 -0.232 0.000 1.113 131 F CA 0.244 58.021 58.000 -0.372 0.000 1.262 131 F CB 0.545 39.427 39.000 -0.197 0.000 1.146 131 F HN 0.569 nan 8.300 nan 0.000 0.578 132 A N 2.178 125.063 122.820 0.109 0.000 2.287 132 A HA 0.656 4.970 4.320 -0.010 0.000 0.273 132 A C -0.264 177.538 177.584 0.364 0.000 1.091 132 A CA -0.389 51.693 52.037 0.074 0.000 0.817 132 A CB 0.275 19.119 19.000 -0.260 0.000 1.069 132 A HN 0.662 nan 8.150 nan 0.000 0.492 133 S N 0.676 116.631 115.700 0.425 0.000 2.521 133 S HA 0.633 5.096 4.470 -0.010 0.000 0.295 133 S C -0.356 174.491 174.600 0.411 0.000 1.098 133 S CA -0.792 57.648 58.200 0.401 0.000 0.999 133 S CB 1.435 64.727 63.200 0.155 0.000 1.034 133 S HN 0.959 nan 8.310 nan 0.000 0.483 134 N N 1.103 119.897 118.700 0.158 0.000 3.479 134 N HA 0.353 5.087 4.740 -0.010 0.000 0.336 134 N C 0.069 175.561 175.510 -0.030 0.000 1.623 134 N CA -0.751 52.301 53.050 0.004 0.000 0.759 134 N CB -0.210 38.035 38.487 -0.404 0.000 2.016 134 N HN 0.259 nan 8.380 nan 0.000 0.637 135 E N -1.485 118.691 120.200 -0.040 0.000 2.265 135 E HA -0.108 4.235 4.350 -0.010 0.000 0.196 135 E C 1.017 177.620 176.600 0.004 0.000 0.996 135 E CA 1.259 57.655 56.400 -0.008 0.000 0.832 135 E CB -0.319 29.383 29.700 0.003 0.000 0.756 135 E HN 0.681 nan 8.360 nan 0.000 0.491 136 H N -1.565 117.429 119.070 -0.127 0.000 2.418 136 H HA 0.122 4.672 4.556 -0.010 0.000 0.300 136 H C -0.476 174.862 175.328 0.017 0.000 1.041 136 H CA 0.445 56.444 56.048 -0.082 0.000 1.364 136 H CB 0.350 30.026 29.762 -0.145 0.000 1.439 136 H HN 0.129 nan 8.280 nan 0.000 0.540 137 Y N 0.484 120.696 120.300 -0.148 0.000 2.361 137 Y HA 0.467 5.012 4.550 -0.010 0.000 0.337 137 Y C -1.155 174.761 175.900 0.026 0.000 0.965 137 Y CA -1.216 56.824 58.100 -0.099 0.000 1.091 137 Y CB 1.753 40.222 38.460 0.014 0.000 1.182 137 Y HN 0.019 nan 8.280 nan 0.000 0.450 138 S N 6.919 122.175 115.700 -0.740 0.000 2.520 138 S HA 0.211 4.675 4.470 -0.010 0.000 0.324 138 S C 0.420 174.565 174.600 -0.760 0.000 1.069 138 S CA -0.591 57.282 58.200 -0.545 0.000 1.121 138 S CB -0.053 62.990 63.200 -0.261 0.000 0.971 138 S HN 0.741 nan 8.310 nan 0.000 0.463 139 F N 4.618 124.189 119.950 -0.631 0.000 2.269 139 F HA -0.032 4.489 4.527 -0.011 0.000 0.301 139 F C 2.096 177.836 175.800 -0.100 0.000 1.082 139 F CA 1.708 59.569 58.000 -0.230 0.000 1.360 139 F CB -0.374 38.700 39.000 0.124 0.000 1.041 139 F HN 0.606 nan 8.300 nan 0.000 0.512 140 S N -0.213 115.386 115.700 -0.167 0.000 2.355 140 S HA -0.248 4.216 4.470 -0.010 0.000 0.222 140 S C 1.973 176.482 174.600 -0.151 0.000 1.031 140 S CA 1.201 59.297 58.200 -0.174 0.000 0.993 140 S CB -0.590 62.532 63.200 -0.130 0.000 0.859 140 S HN 0.577 nan 8.310 nan 0.000 0.453 141 Q N 1.472 121.188 119.800 -0.140 0.000 2.030 141 Q HA -0.184 4.149 4.340 -0.010 0.000 0.204 141 Q C 0.570 176.498 176.000 -0.120 0.000 0.986 141 Q CA 1.711 57.452 55.803 -0.105 0.000 0.843 141 Q CB -0.355 28.319 28.738 -0.106 0.000 0.904 141 Q HN 0.669 nan 8.270 nan 0.000 0.420 145 T N 1.474 115.959 114.554 -0.116 0.000 2.635 145 T HA -0.205 4.138 4.350 -0.010 0.000 0.267 145 T C 1.740 176.380 174.700 -0.100 0.000 1.040 145 T CA 2.557 64.602 62.100 -0.092 0.000 1.156 145 T CB -0.296 68.534 68.868 -0.063 0.000 0.863 145 T HN 0.293 nan 8.240 nan 0.000 0.430 146 L N 0.397 121.567 121.223 -0.089 0.000 2.141 146 L HA 0.002 4.336 4.340 -0.010 0.000 0.209 146 L C 2.879 179.660 176.870 -0.147 0.000 1.094 146 L CA 0.990 55.797 54.840 -0.054 0.000 0.763 146 L CB -0.490 41.599 42.059 0.049 0.000 0.908 146 L HN 0.241 nan 8.230 nan 0.000 0.437 147 A N -0.612 121.960 122.820 -0.413 0.000 2.016 147 A HA 0.155 4.469 4.320 -0.010 0.000 0.217 147 A C 1.922 179.286 177.584 -0.367 0.000 1.162 147 A CA 1.064 52.630 52.037 -0.785 0.000 0.662 147 A CB -0.469 17.557 19.000 -1.622 0.000 0.812 147 A HN 0.512 nan 8.150 nan 0.000 0.450 148 G N -0.993 107.667 108.800 -0.233 0.000 2.176 148 G HA2 -0.250 3.703 3.960 -0.010 0.000 0.253 148 G HA3 -0.250 3.703 3.960 -0.010 0.000 0.253 148 G C 0.575 175.410 174.900 -0.109 0.000 0.979 148 G CA 1.087 46.107 45.100 -0.133 0.000 0.641 148 G HN 1.448 nan 8.290 nan 0.000 0.530 149 T N -1.291 113.184 114.554 -0.133 0.000 2.788 149 T HA 0.634 4.978 4.350 -0.010 0.000 0.287 149 T C 0.820 175.509 174.700 -0.018 0.000 1.007 149 T CA -0.127 61.928 62.100 -0.075 0.000 1.005 149 T CB 2.019 70.829 68.868 -0.096 0.000 1.012 149 T HN 0.913 nan 8.240 nan 0.000 0.530 150 I N 1.469 122.061 120.570 0.037 0.000 2.696 150 I HA 0.130 4.294 4.170 -0.010 0.000 0.284 150 I C 0.612 176.717 176.117 -0.020 0.000 1.129 150 I CA -0.147 61.160 61.300 0.012 0.000 1.410 150 I CB 0.401 38.407 38.000 0.010 0.000 1.399 150 I HN 0.716 nan 8.210 nan 0.000 0.579 151 D N 8.561 128.879 120.400 -0.135 0.000 2.487 151 D HA -0.003 4.631 4.640 -0.010 0.000 0.243 151 D C -1.784 174.218 176.300 -0.497 0.000 1.154 151 D CA -1.121 52.719 54.000 -0.268 0.000 0.876 151 D CB 1.476 42.147 40.800 -0.215 0.000 1.161 151 D HN 0.318 nan 8.370 nan 0.000 0.478 152 P HA -0.130 nan 4.420 nan 0.000 0.216 152 P C 1.409 178.109 177.300 -0.999 0.000 1.150 152 P CA 1.062 63.261 63.100 -1.502 0.000 0.843 152 P CB 0.168 30.638 31.700 -2.050 0.000 0.787 153 L N -1.330 119.466 121.223 -0.712 0.000 2.478 153 L HA -0.012 4.322 4.340 -0.010 0.000 0.223 153 L C 1.356 178.092 176.870 -0.224 0.000 1.140 153 L CA 0.860 55.471 54.840 -0.380 0.000 0.842 153 L CB -0.624 41.226 42.059 -0.348 0.000 0.953 153 L HN -0.072 nan 8.230 nan 0.000 0.452 154 D N 0.280 120.538 120.400 -0.236 0.000 2.340 154 D HA 0.055 4.689 4.640 -0.010 0.000 0.220 154 D C 0.383 176.621 176.300 -0.104 0.000 1.039 154 D CA 0.412 54.328 54.000 -0.140 0.000 0.866 154 D CB 0.444 41.170 40.800 -0.125 0.000 0.913 154 D HN 0.062 nan 8.370 nan 0.000 0.523 155 L N 1.040 122.189 121.223 -0.124 0.000 2.314 155 L HA 0.326 4.660 4.340 -0.010 0.000 0.275 155 L C -1.913 174.972 176.870 0.025 0.000 1.068 155 L CA -1.721 53.094 54.840 -0.041 0.000 0.894 155 L CB 1.507 43.542 42.059 -0.040 0.000 1.275 155 L HN -0.300 nan 8.230 nan 0.000 0.432 156 P HA -0.269 nan 4.420 nan 0.000 0.217 156 P C 1.702 179.025 177.300 0.039 0.000 1.158 156 P CA 1.500 64.611 63.100 0.018 0.000 0.887 156 P CB 0.182 31.887 31.700 0.008 0.000 0.792 157 V N -1.686 118.261 119.914 0.055 0.000 2.515 157 V HA -0.215 3.899 4.120 -0.010 0.000 0.250 157 V C 2.045 178.181 176.094 0.070 0.000 1.058 157 V CA 1.570 63.901 62.300 0.052 0.000 1.064 157 V CB -1.115 30.741 31.823 0.055 0.000 0.675 157 V HN -0.051 nan 8.190 nan 0.000 0.461 158 F N 1.323 121.250 119.950 -0.039 0.000 2.113 158 F HA -0.054 4.468 4.527 -0.008 0.000 0.297 158 F C 2.534 178.285 175.800 -0.082 0.000 1.103 158 F CA 2.253 60.220 58.000 -0.055 0.000 1.248 158 F CB -0.429 38.508 39.000 -0.106 0.000 0.999 158 F HN 0.040 nan 8.300 nan 0.000 0.475 159 R N 0.289 120.904 120.500 0.192 0.000 2.083 159 R HA -0.173 4.161 4.340 -0.010 0.000 0.237 159 R C 1.860 178.143 176.300 -0.029 0.000 1.137 159 R CA 2.124 58.269 56.100 0.075 0.000 0.951 159 R CB -0.481 29.843 30.300 0.039 0.000 0.851 159 R HN 0.275 nan 8.270 nan 0.000 0.434 160 D N -0.757 119.626 120.400 -0.027 0.000 2.144 160 D HA -0.096 4.538 4.640 -0.010 0.000 0.200 160 D C 1.777 178.032 176.300 -0.074 0.000 0.978 160 D CA 1.512 55.487 54.000 -0.041 0.000 0.833 160 D CB -0.460 40.326 40.800 -0.024 0.000 0.961 160 D HN 0.232 nan 8.370 nan 0.000 0.470 161 T N 1.392 115.880 114.554 -0.111 0.000 2.720 161 T HA -0.151 4.192 4.350 -0.010 0.000 0.268 161 T C 1.863 176.456 174.700 -0.178 0.000 1.037 161 T CA 0.629 62.642 62.100 -0.145 0.000 1.144 161 T CB -0.277 68.475 68.868 -0.194 0.000 0.864 161 T HN 0.026 nan 8.240 nan 0.000 0.444 162 L N 1.167 122.242 121.223 -0.247 0.000 2.044 162 L HA 0.140 4.474 4.340 -0.010 0.000 0.205 162 L C 2.522 179.329 176.870 -0.105 0.000 1.075 162 L CA 1.686 56.400 54.840 -0.210 0.000 0.747 162 L CB -0.692 41.225 42.059 -0.237 0.000 0.903 162 L HN 0.054 nan 8.230 nan 0.000 0.435 163 R N -0.484 119.971 120.500 -0.074 0.000 2.103 163 R HA -0.196 4.138 4.340 -0.010 0.000 0.242 163 R C 1.826 178.101 176.300 -0.042 0.000 1.142 163 R CA 2.018 58.092 56.100 -0.043 0.000 0.960 163 R CB -0.300 29.982 30.300 -0.030 0.000 0.858 163 R HN 0.440 nan 8.270 nan 0.000 0.439 164 D N 0.262 120.632 120.400 -0.049 0.000 2.219 164 D HA -0.146 4.488 4.640 -0.010 0.000 0.205 164 D C 1.772 178.054 176.300 -0.031 0.000 0.970 164 D CA 0.690 54.666 54.000 -0.040 0.000 0.851 164 D CB -0.058 40.717 40.800 -0.043 0.000 0.943 164 D HN 0.201 nan 8.370 nan 0.000 0.488 165 L N 0.272 121.472 121.223 -0.039 0.000 2.044 165 L HA -0.087 4.247 4.340 -0.010 0.000 0.205 165 L C 1.982 178.872 176.870 0.032 0.000 1.075 165 L CA 1.144 55.982 54.840 -0.002 0.000 0.747 165 L CB -0.463 41.553 42.059 -0.072 0.000 0.903 165 L HN -0.092 nan 8.230 nan 0.000 0.435 166 L N -0.147 121.061 121.223 -0.025 0.000 2.017 166 L HA -0.118 4.216 4.340 -0.010 0.000 0.208 166 L C 2.689 179.557 176.870 -0.004 0.000 1.073 166 L CA 2.003 56.827 54.840 -0.026 0.000 0.745 166 L CB -1.609 40.427 42.059 -0.040 0.000 0.894 166 L HN 0.332 nan 8.230 nan 0.000 0.432 167 A N -0.786 122.026 122.820 -0.014 0.000 1.865 167 A HA -0.289 4.025 4.320 -0.010 0.000 0.217 167 A C 2.333 179.898 177.584 -0.031 0.000 1.191 167 A CA 1.934 53.958 52.037 -0.021 0.000 0.623 167 A CB -0.720 18.264 19.000 -0.026 0.000 0.826 167 A HN 0.518 nan 8.150 nan 0.000 0.444 168 E N -0.675 119.501 120.200 -0.039 0.000 2.033 168 E HA -0.295 4.049 4.350 -0.010 0.000 0.199 168 E C 1.521 178.018 176.600 -0.171 0.000 1.011 168 E CA 1.774 58.109 56.400 -0.109 0.000 0.815 168 E CB -0.289 29.335 29.700 -0.128 0.000 0.755 168 E HN 0.788 nan 8.360 nan 0.000 0.451 169 H N -1.193 117.825 119.070 -0.086 0.000 2.553 169 H HA 0.187 4.738 4.556 -0.007 0.000 0.269 169 H C 1.057 176.331 175.328 -0.089 0.000 1.011 169 H CA 0.679 56.667 56.048 -0.099 0.000 1.150 169 H CB 0.335 30.015 29.762 -0.136 0.000 1.339 169 H HN 0.482 nan 8.280 nan 0.000 0.604 170 G N 0.918 109.720 108.800 0.003 0.000 2.212 170 G HA2 -0.337 3.616 3.960 -0.010 0.000 0.267 170 G HA3 -0.337 3.616 3.960 -0.010 0.000 0.267 170 G C 0.302 175.192 174.900 -0.016 0.000 1.002 170 G CA 0.393 45.484 45.100 -0.014 0.000 0.729 170 G HN 0.428 nan 8.290 nan 0.000 0.517 171 L N 1.813 123.024 121.223 -0.020 0.000 2.584 171 L HA 0.490 4.824 4.340 -0.010 0.000 0.272 171 L C 1.435 178.283 176.870 -0.037 0.000 1.195 171 L CA 0.812 55.624 54.840 -0.047 0.000 0.920 171 L CB 0.599 42.608 42.059 -0.084 0.000 1.173 171 L HN 0.615 nan 8.230 nan 0.000 0.489 172 S N 4.623 120.304 115.700 -0.032 0.000 3.033 172 S HA 0.239 4.703 4.470 -0.010 0.000 0.258 172 S C 0.362 174.953 174.600 -0.015 0.000 1.207 172 S CA -0.526 57.663 58.200 -0.018 0.000 1.248 172 S CB -0.566 62.628 63.200 -0.010 0.000 0.932 172 S HN 0.750 nan 8.310 nan 0.000 0.472 173 R N 1.265 121.752 120.500 -0.023 0.000 2.621 173 R HA 0.476 4.810 4.340 -0.010 0.000 0.292 173 R C -0.166 176.138 176.300 0.007 0.000 0.969 173 R CA -0.271 55.823 56.100 -0.010 0.000 0.887 173 R CB 1.734 32.010 30.300 -0.041 0.000 1.180 173 R HN 0.418 nan 8.270 nan 0.000 0.450 174 S N 1.728 117.446 115.700 0.030 0.000 2.593 174 S HA 0.068 4.532 4.470 -0.010 0.000 0.269 174 S C 1.293 175.929 174.600 0.060 0.000 1.334 174 S CA -0.779 57.443 58.200 0.037 0.000 1.015 174 S CB 1.447 64.672 63.200 0.042 0.000 0.912 174 S HN 0.390 nan 8.310 nan 0.000 0.541 175 V N 2.105 122.053 119.914 0.057 0.000 2.282 175 V HA -0.167 3.947 4.120 -0.010 0.000 0.249 175 V C 2.508 178.697 176.094 0.159 0.000 1.057 175 V CA 2.118 64.470 62.300 0.087 0.000 1.032 175 V CB -0.941 30.913 31.823 0.051 0.000 0.645 175 V HN 0.826 nan 8.190 nan 0.000 0.447 176 V N 0.166 120.157 119.914 0.128 0.000 2.358 176 V HA -0.227 3.887 4.120 -0.010 0.000 0.246 176 V C 2.161 178.385 176.094 0.216 0.000 1.047 176 V CA 2.577 64.978 62.300 0.168 0.000 1.035 176 V CB -0.513 31.369 31.823 0.100 0.000 0.658 176 V HN 0.586 nan 8.190 nan 0.000 0.452 177 D N -0.636 119.862 120.400 0.164 0.000 2.178 177 D HA -0.171 4.463 4.640 -0.010 0.000 0.201 177 D C 2.147 178.582 176.300 0.224 0.000 0.980 177 D CA 1.594 55.698 54.000 0.173 0.000 0.842 177 D CB -0.723 40.152 40.800 0.125 0.000 0.948 177 D HN 0.625 nan 8.370 nan 0.000 0.472 178 C N 0.221 119.641 119.300 0.200 0.000 2.462 178 C HA -0.095 4.359 4.460 -0.010 0.000 0.278 178 C C 2.498 177.716 174.990 0.380 0.000 1.253 178 C CA 0.313 59.446 59.018 0.191 0.000 1.713 178 C CB -1.430 26.369 27.740 0.098 0.000 2.049 178 C HN 0.544 nan 8.230 nan 0.000 0.477 179 W N 1.291 122.738 121.300 0.245 0.000 2.392 179 W HA -0.018 4.636 4.660 -0.011 0.000 0.279 179 W C 1.132 177.860 176.519 0.349 0.000 1.225 179 W CA 1.172 58.749 57.345 0.387 0.000 1.233 179 W CB -0.335 29.275 29.460 0.251 0.000 1.122 179 W HN 0.484 nan 8.180 nan 0.000 0.561 180 N N 0.003 118.912 118.700 0.347 0.000 2.328 180 N HA -0.039 4.695 4.740 -0.010 0.000 0.247 180 N C -0.837 174.783 175.510 0.183 0.000 1.165 180 N CA -0.058 53.104 53.050 0.188 0.000 0.873 180 N CB -0.268 38.336 38.487 0.194 0.000 1.125 180 N HN 0.101 nan 8.380 nan 0.000 0.513 181 H N 0.586 119.750 119.070 0.157 0.000 2.819 181 H HA 0.207 4.758 4.556 -0.009 0.000 0.303 181 H C -0.465 174.939 175.328 0.127 0.000 1.058 181 H CA 0.021 56.158 56.048 0.147 0.000 1.471 181 H CB 0.589 30.456 29.762 0.175 0.000 1.480 181 H HN -0.253 nan 8.280 nan 0.000 0.517 182 V N 5.845 125.511 119.914 -0.413 0.000 2.383 182 V HA 0.111 4.224 4.120 -0.010 0.000 0.275 182 V C 0.506 176.273 176.094 -0.546 0.000 1.036 182 V CA -0.735 61.378 62.300 -0.310 0.000 0.889 182 V CB 0.850 32.621 31.823 -0.085 0.000 0.985 182 V HN 0.798 nan 8.190 nan 0.000 0.459 183 E N 3.392 123.384 120.200 -0.347 0.000 2.392 183 E HA 0.133 4.476 4.350 -0.010 0.000 0.256 183 E C 0.945 177.398 176.600 -0.245 0.000 1.145 183 E CA -0.011 56.261 56.400 -0.213 0.000 0.929 183 E CB 0.709 30.330 29.700 -0.132 0.000 0.998 183 E HN 0.505 nan 8.360 nan 0.000 0.442 184 Q N 0.740 120.471 119.800 -0.114 0.000 2.230 184 Q HA 0.083 4.417 4.340 -0.010 0.000 0.202 184 Q C 0.057 175.908 176.000 -0.249 0.000 0.963 184 Q CA 0.544 56.299 55.803 -0.079 0.000 0.866 184 Q CB -0.031 28.794 28.738 0.145 0.000 0.931 184 Q HN 0.335 nan 8.270 nan 0.000 0.452 185 L N 0.919 121.863 121.223 -0.465 0.000 2.408 185 L HA 0.421 4.755 4.340 -0.010 0.000 0.268 185 L C -1.484 175.017 176.870 -0.615 0.000 0.986 185 L CA -0.254 54.202 54.840 -0.640 0.000 0.820 185 L CB 1.956 43.362 42.059 -1.089 0.000 1.303 185 L HN -0.074 nan 8.230 nan 0.000 0.411 186 N N 5.969 124.297 118.700 -0.621 0.000 2.410 186 N HA 0.433 5.167 4.740 -0.010 0.000 0.287 186 N C -1.533 173.686 175.510 -0.485 0.000 1.044 186 N CA -0.521 52.185 53.050 -0.575 0.000 0.881 186 N CB 2.404 40.450 38.487 -0.735 0.000 1.405 186 N HN 0.484 nan 8.380 nan 0.000 0.490 187 L N 2.396 123.344 121.223 -0.459 0.000 2.260 187 L HA 0.471 4.805 4.340 -0.010 0.000 0.289 187 L C -0.223 176.261 176.870 -0.643 0.000 1.057 187 L CA -0.805 53.718 54.840 -0.529 0.000 0.811 187 L CB 1.097 42.850 42.059 -0.510 0.000 1.184 187 L HN 0.127 nan 8.230 nan 0.000 0.429 188 V N 3.222 122.732 119.914 -0.673 0.000 2.459 188 V HA 0.284 4.398 4.120 -0.010 0.000 0.295 188 V C -0.041 175.744 176.094 -0.514 0.000 1.029 188 V CA -0.386 61.575 62.300 -0.566 0.000 0.874 188 V CB 1.695 33.132 31.823 -0.642 0.000 0.985 188 V HN 0.463 nan 8.190 nan 0.000 0.438 189 F N 4.023 123.920 119.950 -0.090 0.000 2.873 189 F HA 0.424 4.944 4.527 -0.011 0.000 0.289 189 F C 0.441 176.229 175.800 -0.021 0.000 1.206 189 F CA -0.278 57.695 58.000 -0.045 0.000 1.401 189 F CB 0.520 39.495 39.000 -0.041 0.000 0.996 189 F HN 0.411 nan 8.300 nan 0.000 0.511 190 V N -3.109 116.879 119.914 0.124 0.000 3.114 190 V HA 0.747 4.861 4.120 -0.010 0.000 0.308 190 V C -2.978 173.246 176.094 0.218 0.000 1.168 190 V CA -3.108 59.276 62.300 0.140 0.000 1.015 190 V CB 2.358 34.272 31.823 0.152 0.000 1.050 190 V HN -0.200 nan 8.190 nan 0.000 0.433 191 P HA 0.282 nan 4.420 nan 0.000 0.272 191 P C 0.327 177.628 177.300 0.002 0.000 1.223 191 P CA -0.274 62.899 63.100 0.122 0.000 0.784 191 P CB 0.739 32.503 31.700 0.106 0.000 0.923 192 K N 2.554 122.801 120.400 -0.254 0.000 2.152 192 K HA -0.183 4.131 4.320 -0.010 0.000 0.206 192 K C 1.682 178.016 176.600 -0.444 0.000 1.048 192 K CA 1.637 57.440 56.287 -0.806 0.000 0.933 192 K CB -0.632 31.388 32.500 -0.799 0.000 0.721 192 K HN 0.430 nan 8.250 nan 0.000 0.447 193 A N 0.245 122.891 122.820 -0.289 0.000 2.024 193 A HA -0.148 4.166 4.320 -0.010 0.000 0.220 193 A C 1.895 179.426 177.584 -0.088 0.000 1.164 193 A CA 1.214 53.084 52.037 -0.279 0.000 0.643 193 A CB -0.610 18.076 19.000 -0.522 0.000 0.806 193 A HN 0.551 nan 8.150 nan 0.000 0.451 194 F N -0.173 119.703 119.950 -0.123 0.000 2.530 194 F HA 0.178 4.699 4.527 -0.011 0.000 0.292 194 F C 1.074 176.923 175.800 0.081 0.000 1.109 194 F CA 0.440 58.438 58.000 -0.002 0.000 1.450 194 F CB 0.023 39.048 39.000 0.042 0.000 1.114 194 F HN 0.269 nan 8.300 nan 0.000 0.560 195 Q N 2.495 122.337 119.800 0.069 0.000 2.304 195 Q HA 0.026 4.360 4.340 -0.010 0.000 0.301 195 Q C -0.369 175.497 176.000 -0.222 0.000 1.063 195 Q CA 0.391 56.228 55.803 0.057 0.000 0.947 195 Q CB 0.095 28.738 28.738 -0.159 0.000 1.201 195 Q HN 0.396 nan 8.270 nan 0.000 0.389 196 I N 3.978 124.240 120.570 -0.514 0.000 2.598 196 I HA 0.041 4.205 4.170 -0.010 0.000 0.284 196 I C 0.908 176.826 176.117 -0.331 0.000 1.140 196 I CA 0.749 61.644 61.300 -0.676 0.000 1.420 196 I CB -0.003 37.223 38.000 -1.290 0.000 1.387 196 I HN 0.998 nan 8.210 nan 0.000 0.553 197 A N 4.955 127.648 122.820 -0.211 0.000 2.832 197 A HA -0.207 4.107 4.320 -0.010 0.000 0.280 197 A C 1.741 179.364 177.584 0.066 0.000 1.464 197 A CA 0.866 52.872 52.037 -0.052 0.000 0.804 197 A CB -2.153 16.907 19.000 0.101 0.000 1.020 197 A HN 1.090 nan 8.150 nan 0.000 0.563 198 G N -0.667 108.123 108.800 -0.016 0.000 2.499 198 G HA2 -0.193 3.760 3.960 -0.010 0.000 0.221 198 G HA3 -0.193 3.760 3.960 -0.010 0.000 0.221 198 G C 0.944 175.830 174.900 -0.022 0.000 1.109 198 G CA 1.236 46.305 45.100 -0.052 0.000 0.749 198 G HN 0.670 nan 8.290 nan 0.000 0.568 199 D N -0.011 120.345 120.400 -0.073 0.000 2.348 199 D HA -0.066 4.568 4.640 -0.010 0.000 0.216 199 D C 2.662 178.921 176.300 -0.069 0.000 0.970 199 D CA 1.442 55.392 54.000 -0.082 0.000 0.889 199 D CB 0.035 40.772 40.800 -0.106 0.000 0.912 199 D HN 0.522 nan 8.370 nan 0.000 0.524 200 T N -2.638 111.863 114.554 -0.089 0.000 3.060 200 T HA 0.069 4.413 4.350 -0.010 0.000 0.249 200 T C 0.628 175.178 174.700 -0.250 0.000 1.079 200 T CA -0.349 61.619 62.100 -0.220 0.000 1.013 200 T CB -0.269 68.365 68.868 -0.390 0.000 0.975 200 T HN -0.191 nan 8.240 nan 0.000 0.518 201 F N 3.869 123.761 119.950 -0.095 0.000 2.420 201 F HA 0.437 4.957 4.527 -0.011 0.000 0.352 201 F C 0.819 176.683 175.800 0.106 0.000 1.108 201 F CA -1.399 56.550 58.000 -0.084 0.000 1.162 201 F CB 0.693 39.619 39.000 -0.124 0.000 1.118 201 F HN 0.237 nan 8.300 nan 0.000 0.510 202 D N 0.595 121.201 120.400 0.343 0.000 2.496 202 D HA 0.099 4.733 4.640 -0.010 0.000 0.283 202 D C 0.600 177.095 176.300 0.324 0.000 1.214 202 D CA -0.393 53.771 54.000 0.273 0.000 1.089 202 D CB 0.217 41.124 40.800 0.178 0.000 1.141 202 D HN 0.318 nan 8.370 nan 0.000 0.580 203 D N -1.068 119.447 120.400 0.191 0.000 2.265 203 D HA -0.118 4.516 4.640 -0.010 0.000 0.208 203 D C 1.766 178.117 176.300 0.085 0.000 0.977 203 D CA 0.810 54.889 54.000 0.131 0.000 0.871 203 D CB -0.231 40.618 40.800 0.082 0.000 0.925 203 D HN 0.357 nan 8.370 nan 0.000 0.485 204 R N -0.699 119.845 120.500 0.073 0.000 2.285 204 R HA 0.022 4.356 4.340 -0.010 0.000 0.213 204 R C 0.012 176.078 176.300 -0.389 0.000 1.068 204 R CA 0.354 56.355 56.100 -0.165 0.000 1.004 204 R CB -0.044 30.112 30.300 -0.240 0.000 0.873 204 R HN 0.134 nan 8.270 nan 0.000 0.467 205 F N -0.490 119.442 119.950 -0.031 0.000 2.482 205 F HA 0.333 4.854 4.527 -0.010 0.000 0.331 205 F C -0.185 175.505 175.800 -0.183 0.000 1.115 205 F CA -1.080 56.819 58.000 -0.168 0.000 0.955 205 F CB 1.892 40.841 39.000 -0.085 0.000 1.136 205 F HN -0.402 nan 8.300 nan 0.000 0.452 206 V N 4.485 124.269 119.914 -0.218 0.000 2.357 206 V HA 0.272 4.386 4.120 -0.010 0.000 0.281 206 V C -0.764 175.166 176.094 -0.272 0.000 1.015 206 V CA -0.840 61.372 62.300 -0.146 0.000 0.827 206 V CB 0.660 32.390 31.823 -0.155 0.000 1.018 206 V HN 0.465 nan 8.190 nan 0.000 0.432 207 F N 4.508 124.415 119.950 -0.071 0.000 2.464 207 F HA 0.237 4.758 4.527 -0.010 0.000 0.353 207 F C 1.238 176.983 175.800 -0.090 0.000 1.191 207 F CA -0.314 57.627 58.000 -0.098 0.000 1.147 207 F CB 1.075 40.031 39.000 -0.075 0.000 1.294 207 F HN 0.450 nan 8.300 nan 0.000 0.583 208 V N 1.141 121.022 119.914 -0.056 0.000 3.650 208 V HA 0.537 4.651 4.120 -0.010 0.000 0.271 208 V C 1.151 177.260 176.094 0.024 0.000 1.281 208 V CA 0.301 62.573 62.300 -0.047 0.000 1.120 208 V CB -0.789 30.944 31.823 -0.149 0.000 0.856 208 V HN 0.946 nan 8.190 nan 0.000 0.443 209 G N 1.131 109.970 108.800 0.064 0.000 2.752 209 G HA2 -0.181 3.773 3.960 -0.010 0.000 0.234 209 G HA3 -0.181 3.773 3.960 -0.010 0.000 0.234 209 G C -2.674 172.337 174.900 0.185 0.000 1.367 209 G CA -0.284 44.888 45.100 0.119 0.000 0.879 209 G HN 0.565 nan 8.290 nan 0.000 0.563 210 P HA 0.411 nan 4.420 nan 0.000 0.268 210 P C -0.151 177.171 177.300 0.037 0.000 1.204 210 P CA -0.099 63.098 63.100 0.163 0.000 0.768 210 P CB 0.711 32.535 31.700 0.208 0.000 0.842 211 C N 5.083 124.418 119.300 0.057 0.000 2.322 211 C HA 0.777 5.231 4.460 -0.010 0.000 0.324 211 C C -0.240 174.716 174.990 -0.056 0.000 1.249 211 C CA -0.191 58.776 59.018 -0.085 0.000 1.453 211 C CB -1.018 26.775 27.740 0.087 0.000 2.145 211 C HN 0.617 nan 8.230 nan 0.000 0.466 212 F N 0.581 120.482 119.950 -0.082 0.000 2.715 212 F HA 0.830 5.350 4.527 -0.011 0.000 0.318 212 F C -0.776 175.006 175.800 -0.032 0.000 1.141 212 F CA -1.026 56.934 58.000 -0.066 0.000 0.950 212 F CB 0.631 39.575 39.000 -0.093 0.000 1.374 212 F HN 0.295 nan 8.300 nan 0.000 0.477 213 D N -0.578 120.042 120.400 0.367 0.000 2.607 213 D HA 0.295 4.929 4.640 -0.010 0.000 0.253 213 D C 0.150 176.609 176.300 0.265 0.000 1.171 213 D CA -0.138 54.005 54.000 0.239 0.000 1.084 213 D CB 1.082 41.996 40.800 0.191 0.000 1.203 213 D HN 0.597 nan 8.370 nan 0.000 0.629 214 D N -0.610 119.890 120.400 0.167 0.000 2.305 214 D HA 0.103 4.737 4.640 -0.010 0.000 0.206 214 D C -0.003 176.318 176.300 0.035 0.000 0.974 214 D CA 0.236 54.306 54.000 0.117 0.000 0.871 214 D CB 0.189 41.050 40.800 0.102 0.000 0.947 214 D HN 0.266 nan 8.370 nan 0.000 0.516 215 R N 0.048 120.566 120.500 0.031 0.000 3.146 215 R HA -0.217 4.116 4.340 -0.010 0.000 0.250 215 R C 0.973 177.128 176.300 -0.241 0.000 0.912 215 R CA 0.412 56.410 56.100 -0.172 0.000 0.633 215 R CB -1.423 28.691 30.300 -0.310 0.000 1.180 215 R HN 0.375 nan 8.270 nan 0.000 0.464 216 R N 0.045 120.524 120.500 -0.035 0.000 2.235 216 R HA -0.139 4.195 4.340 -0.010 0.000 0.213 216 R C 1.666 177.961 176.300 -0.008 0.000 1.059 216 R CA 1.795 57.892 56.100 -0.005 0.000 0.997 216 R CB -0.362 29.976 30.300 0.063 0.000 0.884 216 R HN 0.544 nan 8.270 nan 0.000 0.462 217 F N -0.456 119.483 119.950 -0.018 0.000 2.604 217 F HA 0.203 4.724 4.527 -0.010 0.000 0.298 217 F C 1.032 176.786 175.800 -0.078 0.000 1.131 217 F CA 0.100 58.070 58.000 -0.050 0.000 1.457 217 F CB -0.012 38.947 39.000 -0.067 0.000 1.095 217 F HN -0.126 nan 8.300 nan 0.000 0.574 218 L N 1.444 122.307 121.223 -0.601 0.000 2.629 218 L HA 0.457 4.790 4.340 -0.010 0.000 0.230 218 L C 1.165 177.960 176.870 -0.125 0.000 1.151 218 L CA 0.295 54.904 54.840 -0.386 0.000 0.924 218 L CB -1.009 40.778 42.059 -0.453 0.000 1.137 218 L HN 0.575 nan 8.230 nan 0.000 0.457 219 G N 0.723 109.474 108.800 -0.081 0.000 2.627 219 G HA2 -0.138 3.816 3.960 -0.010 0.000 0.214 219 G HA3 -0.138 3.816 3.960 -0.010 0.000 0.214 219 G C -0.427 174.470 174.900 -0.004 0.000 1.331 219 G CA -0.151 44.946 45.100 -0.005 0.000 0.891 219 G HN 0.398 nan 8.290 nan 0.000 0.539 220 E N -1.837 118.381 120.200 0.030 0.000 2.408 220 E HA 0.635 4.978 4.350 -0.010 0.000 0.275 220 E C -1.486 175.183 176.600 0.116 0.000 0.935 220 E CA -1.126 55.308 56.400 0.056 0.000 0.775 220 E CB 2.563 32.284 29.700 0.035 0.000 1.277 220 E HN 1.164 nan 8.360 nan 0.000 0.455 221 W N 1.791 123.040 121.300 -0.086 0.000 3.097 221 W HA 0.451 5.105 4.660 -0.010 0.000 0.335 221 W C -1.545 174.937 176.519 -0.061 0.000 1.114 221 W CA -0.447 56.843 57.345 -0.093 0.000 1.231 221 W CB 2.260 31.634 29.460 -0.142 0.000 1.388 221 W HN 0.599 nan 8.180 nan 0.000 0.485 222 T N 4.786 118.791 114.554 -0.915 0.000 2.856 222 T HA 0.473 4.816 4.350 -0.010 0.000 0.283 222 T C -0.244 173.610 174.700 -1.410 0.000 1.008 222 T CA -0.681 60.903 62.100 -0.860 0.000 0.997 222 T CB 0.866 69.470 68.868 -0.440 0.000 0.992 222 T HN 0.577 nan 8.240 nan 0.000 0.454 223 R N 3.988 123.897 120.500 -0.985 0.000 2.587 223 R HA 0.166 4.500 4.340 -0.010 0.000 0.268 223 R C -2.174 173.802 176.300 -0.540 0.000 0.978 223 R CA -0.387 55.297 56.100 -0.693 0.000 1.097 223 R CB -0.108 30.021 30.300 -0.284 0.000 0.917 223 R HN 0.480 nan 8.270 nan 0.000 0.414 224 P HA 0.134 nan 4.420 nan 0.000 0.275 224 P C -0.679 176.456 177.300 -0.275 0.000 1.270 224 P CA -0.004 62.847 63.100 -0.416 0.000 0.791 224 P CB 0.638 31.842 31.700 -0.827 0.000 1.089 225 A N 0.279 122.973 122.820 -0.211 0.000 1.997 225 A HA -0.049 4.265 4.320 -0.010 0.000 0.212 225 A C 1.464 178.986 177.584 -0.104 0.000 1.178 225 A CA 1.116 53.076 52.037 -0.128 0.000 0.698 225 A CB -1.273 17.677 19.000 -0.083 0.000 0.842 225 A HN 0.610 nan 8.150 nan 0.000 0.458 226 D N -0.441 119.895 120.400 -0.106 0.000 2.350 226 D HA -0.051 4.582 4.640 -0.010 0.000 0.216 226 D C -0.363 175.900 176.300 -0.062 0.000 0.968 226 D CA 0.878 54.846 54.000 -0.054 0.000 0.894 226 D CB -0.653 40.153 40.800 0.009 0.000 0.909 226 D HN 0.315 nan 8.370 nan 0.000 0.520 227 D N -0.894 119.447 120.400 -0.098 0.000 2.751 227 D HA -0.169 4.465 4.640 -0.010 0.000 0.233 227 D C -0.584 175.687 176.300 -0.048 0.000 1.149 227 D CA 0.419 54.375 54.000 -0.073 0.000 0.682 227 D CB -1.265 39.500 40.800 -0.058 0.000 1.068 227 D HN 0.409 nan 8.370 nan 0.000 0.429 228 L N -0.358 120.848 121.223 -0.029 0.000 2.421 228 L HA 0.453 4.787 4.340 -0.010 0.000 0.263 228 L C -1.589 175.307 176.870 0.043 0.000 1.122 228 L CA -1.961 52.880 54.840 0.002 0.000 0.804 228 L CB 0.496 42.602 42.059 0.078 0.000 1.150 228 L HN -0.205 nan 8.230 nan 0.000 0.457 229 P HA 0.001 nan 4.420 nan 0.000 0.266 229 P C -0.919 176.545 177.300 0.274 0.000 1.195 229 P CA -0.080 63.074 63.100 0.090 0.000 0.768 229 P CB 0.453 32.125 31.700 -0.047 0.000 0.838 230 V N 4.568 124.635 119.914 0.254 0.000 2.407 230 V HA 0.216 4.330 4.120 -0.010 0.000 0.278 230 V C 0.251 176.455 176.094 0.182 0.000 1.037 230 V CA -0.435 62.019 62.300 0.257 0.000 0.900 230 V CB 1.694 33.645 31.823 0.213 0.000 0.983 230 V HN 0.218 nan 8.190 nan 0.000 0.459 231 V N 6.267 126.252 119.914 0.118 0.000 2.384 231 V HA 0.385 4.499 4.120 -0.010 0.000 0.287 231 V C -0.201 175.798 176.094 -0.160 0.000 1.020 231 V CA -0.607 61.665 62.300 -0.047 0.000 0.850 231 V CB 1.575 33.293 31.823 -0.174 0.000 0.987 231 V HN 0.693 nan 8.190 nan 0.000 0.436 232 L N 6.927 128.035 121.223 -0.192 0.000 2.331 232 L HA 0.596 4.930 4.340 -0.010 0.000 0.278 232 L C -0.381 176.365 176.870 -0.207 0.000 1.106 232 L CA 0.540 55.220 54.840 -0.266 0.000 0.824 232 L CB 1.313 43.162 42.059 -0.351 0.000 1.142 232 L HN 0.456 nan 8.230 nan 0.000 0.443 233 V N 4.824 124.636 119.914 -0.169 0.000 2.482 233 V HA 0.677 4.791 4.120 -0.010 0.000 0.295 233 V C -0.382 175.768 176.094 0.094 0.000 1.026 233 V CA -0.310 61.975 62.300 -0.026 0.000 0.856 233 V CB 1.401 33.208 31.823 -0.027 0.000 1.001 233 V HN 0.862 nan 8.190 nan 0.000 0.424 234 S N 3.526 119.315 115.700 0.149 0.000 2.541 234 S HA 0.688 5.152 4.470 -0.010 0.000 0.271 234 S C -0.598 174.141 174.600 0.231 0.000 1.133 234 S CA -0.324 58.016 58.200 0.233 0.000 0.876 234 S CB 1.943 65.249 63.200 0.176 0.000 1.105 234 S HN 0.485 nan 8.310 nan 0.000 0.470 235 L N 3.296 124.635 121.223 0.192 0.000 2.766 235 L HA 0.569 4.902 4.340 -0.010 0.000 0.242 235 L C 1.176 177.796 176.870 -0.417 0.000 1.136 235 L CA 1.439 56.217 54.840 -0.103 0.000 0.933 235 L CB -0.200 41.750 42.059 -0.181 0.000 1.241 235 L HN 1.143 nan 8.230 nan 0.000 0.522 236 G N -0.240 108.487 108.800 -0.121 0.000 2.508 236 G HA2 -0.298 3.656 3.960 -0.010 0.000 0.220 236 G HA3 -0.298 3.656 3.960 -0.010 0.000 0.220 236 G C 0.544 175.348 174.900 -0.160 0.000 1.287 236 G CA 0.268 45.289 45.100 -0.131 0.000 0.916 236 G HN 0.285 nan 8.290 nan 0.000 0.574 237 T N -4.150 110.351 114.554 -0.088 0.000 2.975 237 T HA 0.419 4.763 4.350 -0.010 0.000 0.257 237 T C 1.824 176.506 174.700 -0.030 0.000 1.003 237 T CA 1.803 63.877 62.100 -0.043 0.000 0.932 237 T CB 0.458 69.412 68.868 0.142 0.000 1.087 237 T HN 0.766 nan 8.240 nan 0.000 0.512 238 T N 1.019 115.527 114.554 -0.078 0.000 3.146 238 T HA 0.351 4.695 4.350 -0.010 0.000 0.235 238 T C -0.078 174.397 174.700 -0.375 0.000 0.985 238 T CA 0.194 62.183 62.100 -0.185 0.000 1.265 238 T CB -0.192 68.608 68.868 -0.114 0.000 0.946 238 T HN 0.334 nan 8.240 nan 0.000 0.418 239 F N 3.663 123.541 119.950 -0.121 0.000 2.461 239 F HA 0.365 4.886 4.527 -0.011 0.000 0.321 239 F C 0.844 176.554 175.800 -0.149 0.000 1.203 239 F CA -0.976 56.959 58.000 -0.109 0.000 1.238 239 F CB -0.084 38.840 39.000 -0.127 0.000 1.528 239 F HN 0.197 nan 8.300 nan 0.000 0.554 240 N N -1.275 117.418 118.700 -0.011 0.000 2.200 240 N HA 0.000 4.734 4.740 -0.010 0.000 0.224 240 N C -0.141 175.425 175.510 0.094 0.000 1.179 240 N CA -0.039 53.014 53.050 0.006 0.000 0.877 240 N CB -0.090 38.376 38.487 -0.036 0.000 1.072 240 N HN 0.108 nan 8.380 nan 0.000 0.519 241 D N 1.630 122.071 120.400 0.068 0.000 2.608 241 D HA 0.115 4.749 4.640 -0.010 0.000 0.224 241 D C -0.459 175.904 176.300 0.104 0.000 1.123 241 D CA -0.023 54.029 54.000 0.087 0.000 1.030 241 D CB 0.027 40.864 40.800 0.061 0.000 1.093 241 D HN 0.044 nan 8.370 nan 0.000 0.497 242 R N 2.894 123.492 120.500 0.164 0.000 2.638 242 R HA 0.171 4.504 4.340 -0.010 0.000 0.261 242 R C -1.919 174.520 176.300 0.232 0.000 1.515 242 R CA -1.203 54.968 56.100 0.118 0.000 1.623 242 R CB 1.185 31.462 30.300 -0.038 0.000 1.347 242 R HN 0.225 nan 8.270 nan 0.000 0.705 243 P HA -0.175 nan 4.420 nan 0.000 0.217 243 P C 1.380 178.793 177.300 0.189 0.000 1.148 243 P CA 1.420 64.674 63.100 0.256 0.000 0.828 243 P CB 0.311 32.093 31.700 0.136 0.000 0.783 244 G N -0.118 108.756 108.800 0.123 0.000 2.446 244 G HA2 -0.295 3.659 3.960 -0.010 0.000 0.217 244 G HA3 -0.295 3.659 3.960 -0.010 0.000 0.217 244 G C 1.422 176.354 174.900 0.054 0.000 1.168 244 G CA 0.620 45.766 45.100 0.076 0.000 0.771 244 G HN 0.249 nan 8.290 nan 0.000 0.551 245 F N 0.981 120.856 119.950 -0.125 0.000 2.095 245 F HA -0.024 4.497 4.527 -0.010 0.000 0.298 245 F C 2.299 177.964 175.800 -0.225 0.000 1.104 245 F CA 1.495 59.349 58.000 -0.244 0.000 1.232 245 F CB -0.274 38.458 39.000 -0.447 0.000 0.987 245 F HN 0.106 nan 8.300 nan 0.000 0.475 246 F N 0.770 120.711 119.950 -0.014 0.000 2.146 246 F HA -0.064 4.456 4.527 -0.011 0.000 0.298 246 F C 2.591 178.289 175.800 -0.170 0.000 1.096 246 F CA 1.562 59.477 58.000 -0.143 0.000 1.275 246 F CB -1.012 37.999 39.000 0.018 0.000 1.008 246 F HN -0.161 nan 8.300 nan 0.000 0.480 247 R N -0.115 120.437 120.500 0.086 0.000 2.096 247 R HA -0.175 4.159 4.340 -0.010 0.000 0.235 247 R C 1.757 178.039 176.300 -0.030 0.000 1.127 247 R CA 1.678 57.794 56.100 0.027 0.000 0.968 247 R CB -0.595 29.728 30.300 0.039 0.000 0.861 247 R HN 0.210 nan 8.270 nan 0.000 0.440 248 D N -0.064 120.289 120.400 -0.079 0.000 2.183 248 D HA -0.124 4.510 4.640 -0.010 0.000 0.203 248 D C 1.888 178.121 176.300 -0.111 0.000 0.969 248 D CA 0.614 54.560 54.000 -0.089 0.000 0.842 248 D CB -0.081 40.661 40.800 -0.097 0.000 0.957 248 D HN 0.152 nan 8.370 nan 0.000 0.484 249 C N 0.148 119.315 119.300 -0.222 0.000 2.462 249 C HA 0.084 4.538 4.460 -0.010 0.000 0.278 249 C C 2.849 177.857 174.990 0.030 0.000 1.253 249 C CA 1.479 60.398 59.018 -0.164 0.000 1.713 249 C CB -1.325 26.147 27.740 -0.446 0.000 2.049 249 C HN 0.364 nan 8.230 nan 0.000 0.477 250 A N 0.838 123.644 122.820 -0.023 0.000 1.917 250 A HA -0.238 4.076 4.320 -0.010 0.000 0.219 250 A C 2.459 180.079 177.584 0.061 0.000 1.182 250 A CA 2.006 54.052 52.037 0.016 0.000 0.633 250 A CB -0.891 18.104 19.000 -0.008 0.000 0.819 250 A HN 0.783 nan 8.150 nan 0.000 0.448 251 R N -0.365 120.155 120.500 0.033 0.000 2.073 251 R HA -0.100 4.234 4.340 -0.010 0.000 0.234 251 R C 2.295 178.616 176.300 0.035 0.000 1.134 251 R CA 1.563 57.679 56.100 0.026 0.000 0.952 251 R CB -0.471 29.830 30.300 0.002 0.000 0.850 251 R HN 0.421 nan 8.270 nan 0.000 0.433 252 A N 0.074 122.915 122.820 0.035 0.000 1.972 252 A HA -0.106 4.208 4.320 -0.010 0.000 0.219 252 A C 1.675 179.197 177.584 -0.103 0.000 1.169 252 A CA 1.031 53.039 52.037 -0.047 0.000 0.635 252 A CB -0.454 18.489 19.000 -0.095 0.000 0.810 252 A HN 0.400 nan 8.150 nan 0.000 0.446 253 F N 0.246 120.178 119.950 -0.029 0.000 2.797 253 F HA 0.126 4.647 4.527 -0.010 0.000 0.302 253 F C 0.546 176.371 175.800 0.041 0.000 1.130 253 F CA -0.504 57.508 58.000 0.019 0.000 1.387 253 F CB -0.048 38.952 39.000 -0.000 0.000 1.107 253 F HN 0.105 nan 8.300 nan 0.000 0.577 254 D N 0.467 120.954 120.400 0.146 0.000 2.389 254 D HA 0.251 4.884 4.640 -0.010 0.000 0.263 254 D C 1.267 177.612 176.300 0.076 0.000 1.255 254 D CA 1.221 55.277 54.000 0.094 0.000 0.914 254 D CB 0.203 41.035 40.800 0.053 0.000 1.116 254 D HN 0.440 nan 8.370 nan 0.000 0.502 255 G N 3.215 112.068 108.800 0.090 0.000 2.176 255 G HA2 -0.245 3.709 3.960 -0.010 0.000 0.253 255 G HA3 -0.245 3.709 3.960 -0.010 0.000 0.253 255 G C 0.269 175.218 174.900 0.082 0.000 0.979 255 G CA -0.022 45.119 45.100 0.069 0.000 0.641 255 G HN 0.559 nan 8.290 nan 0.000 0.530 256 Q N 0.120 120.003 119.800 0.138 0.000 2.260 256 Q HA 0.406 4.740 4.340 -0.010 0.000 0.242 256 Q C -1.950 174.169 176.000 0.198 0.000 0.932 256 Q CA -1.857 54.059 55.803 0.188 0.000 0.891 256 Q CB 1.145 30.038 28.738 0.259 0.000 1.222 256 Q HN 0.257 nan 8.270 nan 0.000 0.453 257 P HA 0.083 nan 4.420 nan 0.000 0.237 257 P C -1.151 175.901 177.300 -0.414 0.000 1.723 257 P CA 0.176 63.160 63.100 -0.194 0.000 0.882 257 P CB -0.439 31.062 31.700 -0.330 0.000 1.810 258 W N -0.868 120.539 121.300 0.179 0.000 3.031 258 W HA 0.419 5.072 4.660 -0.010 0.000 0.337 258 W C -0.237 176.404 176.519 0.204 0.000 1.187 258 W CA -0.707 56.766 57.345 0.213 0.000 1.166 258 W CB 0.959 30.621 29.460 0.336 0.000 1.437 258 W HN 0.011 nan 8.180 nan 0.000 0.551 259 H N 0.737 119.999 119.070 0.319 0.000 2.587 259 H HA 0.624 5.174 4.556 -0.010 0.000 0.325 259 H C -1.239 174.162 175.328 0.121 0.000 1.012 259 H CA -0.468 55.696 56.048 0.193 0.000 1.213 259 H CB 0.954 30.819 29.762 0.170 0.000 1.431 259 H HN 0.198 nan 8.280 nan 0.000 0.492 260 V N 6.930 126.678 119.914 -0.276 0.000 2.407 260 V HA 0.271 4.385 4.120 -0.010 0.000 0.278 260 V C 0.022 175.973 176.094 -0.239 0.000 1.037 260 V CA -0.527 61.603 62.300 -0.284 0.000 0.900 260 V CB 1.083 32.659 31.823 -0.411 0.000 0.983 260 V HN 0.573 nan 8.190 nan 0.000 0.459 264 L N 1.829 122.759 121.223 -0.487 0.000 2.477 264 L HA 0.310 4.644 4.340 -0.010 0.000 0.220 264 L C 1.945 178.487 176.870 -0.546 0.000 1.106 264 L CA 0.524 55.010 54.840 -0.589 0.000 0.851 264 L CB -0.154 41.577 42.059 -0.547 0.000 0.994 264 L HN 1.021 nan 8.230 nan 0.000 0.462 265 G N 0.492 108.757 108.800 -0.892 0.000 2.249 265 G HA2 -0.226 3.728 3.960 -0.010 0.000 0.273 265 G HA3 -0.226 3.728 3.960 -0.010 0.000 0.273 265 G C 0.992 175.323 174.900 -0.948 0.000 1.036 265 G CA 0.457 44.767 45.100 -1.317 0.000 0.824 265 G HN 0.671 nan 8.290 nan 0.000 0.504 266 G N -2.390 105.966 108.800 -0.740 0.000 2.217 266 G HA2 -0.282 3.672 3.960 -0.010 0.000 0.246 266 G HA3 -0.282 3.672 3.960 -0.010 0.000 0.246 266 G C 1.003 175.855 174.900 -0.081 0.000 0.990 266 G CA 1.374 46.375 45.100 -0.166 0.000 0.627 266 G HN 0.750 nan 8.290 nan 0.000 0.522 267 Q N 0.004 119.728 119.800 -0.127 0.000 2.080 267 Q HA 0.312 4.646 4.340 -0.010 0.000 0.195 267 Q C 1.699 177.669 176.000 -0.050 0.000 0.989 267 Q CA 0.933 56.705 55.803 -0.052 0.000 0.838 267 Q CB -0.613 28.110 28.738 -0.025 0.000 0.915 267 Q HN 0.477 nan 8.270 nan 0.000 0.482 268 V N 3.373 123.247 119.914 -0.067 0.000 2.585 268 V HA -0.027 4.087 4.120 -0.010 0.000 0.296 268 V C 0.332 176.363 176.094 -0.105 0.000 1.035 268 V CA -0.155 62.107 62.300 -0.062 0.000 1.084 268 V CB 0.580 32.377 31.823 -0.044 0.000 0.953 268 V HN 0.261 nan 8.190 nan 0.000 0.483 269 D N 6.501 126.863 120.400 -0.064 0.000 2.308 269 D HA 0.183 4.817 4.640 -0.010 0.000 0.251 269 D C -1.550 174.699 176.300 -0.084 0.000 1.127 269 D CA -1.788 52.172 54.000 -0.065 0.000 0.876 269 D CB 2.176 42.957 40.800 -0.032 0.000 1.176 269 D HN 0.203 nan 8.370 nan 0.000 0.446 270 P HA -0.215 nan 4.420 nan 0.000 0.217 270 P C 0.999 178.251 177.300 -0.080 0.000 1.158 270 P CA 2.019 65.047 63.100 -0.120 0.000 0.887 270 P CB 0.109 31.738 31.700 -0.118 0.000 0.792 271 A N -0.129 122.659 122.820 -0.055 0.000 1.940 271 A HA -0.170 4.144 4.320 -0.010 0.000 0.219 271 A C 2.292 179.860 177.584 -0.026 0.000 1.176 271 A CA 2.150 54.166 52.037 -0.036 0.000 0.631 271 A CB -1.622 17.364 19.000 -0.024 0.000 0.814 271 A HN 0.229 nan 8.150 nan 0.000 0.446 272 A N -0.601 122.204 122.820 -0.024 0.000 2.178 272 A HA 0.063 4.377 4.320 -0.010 0.000 0.218 272 A C 1.939 179.523 177.584 -0.001 0.000 1.157 272 A CA 1.197 53.229 52.037 -0.008 0.000 0.689 272 A CB -0.515 18.484 19.000 -0.002 0.000 0.787 272 A HN 0.511 nan 8.150 nan 0.000 0.465 273 L N -1.596 119.618 121.223 -0.016 0.000 2.341 273 L HA 0.198 4.532 4.340 -0.010 0.000 0.214 273 L C 1.576 178.443 176.870 -0.005 0.000 1.115 273 L CA 0.438 55.276 54.840 -0.004 0.000 0.820 273 L CB -0.937 41.105 42.059 -0.029 0.000 0.944 273 L HN 0.624 nan 8.230 nan 0.000 0.452 274 G N 0.297 109.090 108.800 -0.012 0.000 2.642 274 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.231 274 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.231 274 G C -0.797 174.093 174.900 -0.017 0.000 1.338 274 G CA -0.591 44.503 45.100 -0.010 0.000 0.883 274 G HN 0.149 nan 8.290 nan 0.000 0.570 275 D N 0.529 120.922 120.400 -0.012 0.000 2.350 275 D HA 0.544 5.177 4.640 -0.010 0.000 0.249 275 D C 0.751 177.043 176.300 -0.014 0.000 1.119 275 D CA 0.263 54.255 54.000 -0.014 0.000 0.886 275 D CB 0.962 41.758 40.800 -0.008 0.000 1.195 275 D HN 0.535 nan 8.370 nan 0.000 0.437 276 L N 2.903 124.114 121.223 -0.021 0.000 2.330 276 L HA 0.477 4.811 4.340 -0.010 0.000 0.271 276 L C -2.032 174.832 176.870 -0.009 0.000 1.013 276 L CA -1.943 52.885 54.840 -0.021 0.000 0.816 276 L CB 1.041 43.073 42.059 -0.045 0.000 1.287 276 L HN 0.124 nan 8.230 nan 0.000 0.435 277 P HA 0.115 nan 4.420 nan 0.000 0.270 277 P C -2.178 175.131 177.300 0.015 0.000 1.227 277 P CA -0.984 62.127 63.100 0.018 0.000 0.788 277 P CB -0.055 31.669 31.700 0.039 0.000 0.926 278 P HA -0.113 nan 4.420 nan 0.000 0.222 278 P C 0.674 178.020 177.300 0.077 0.000 1.147 278 P CA 1.226 64.356 63.100 0.050 0.000 0.790 278 P CB -0.238 31.495 31.700 0.057 0.000 0.780 279 N N -1.093 117.646 118.700 0.064 0.000 2.270 279 N HA 0.034 4.768 4.740 -0.010 0.000 0.198 279 N C -0.437 174.961 175.510 -0.187 0.000 1.117 279 N CA 0.128 53.216 53.050 0.063 0.000 0.845 279 N CB 0.074 38.654 38.487 0.153 0.000 0.980 279 N HN -0.038 nan 8.380 nan 0.000 0.486 280 V N 1.383 121.208 119.914 -0.148 0.000 2.531 280 V HA 0.347 4.461 4.120 -0.010 0.000 0.301 280 V C -0.347 175.649 176.094 -0.164 0.000 1.034 280 V CA -0.908 61.278 62.300 -0.190 0.000 0.865 280 V CB 1.819 33.584 31.823 -0.096 0.000 0.995 280 V HN 0.326 nan 8.190 nan 0.000 0.424 281 E N 3.898 123.989 120.200 -0.181 0.000 2.359 281 E HA 0.926 5.269 4.350 -0.010 0.000 0.266 281 E C -0.936 175.544 176.600 -0.200 0.000 0.920 281 E CA -1.218 55.094 56.400 -0.147 0.000 0.788 281 E CB 2.864 32.550 29.700 -0.024 0.000 1.279 281 E HN 0.724 nan 8.360 nan 0.000 0.438 282 A N 2.086 124.691 122.820 -0.358 0.000 2.427 282 A HA 0.529 4.843 4.320 -0.010 0.000 0.298 282 A C -1.370 175.897 177.584 -0.528 0.000 1.036 282 A CA -0.714 51.115 52.037 -0.347 0.000 0.701 282 A CB 1.121 19.963 19.000 -0.264 0.000 1.250 282 A HN 0.684 nan 8.150 nan 0.000 0.412 283 H N 1.196 120.187 119.070 -0.132 0.000 2.821 283 H HA 0.377 4.927 4.556 -0.010 0.000 0.373 283 H C 0.379 175.588 175.328 -0.198 0.000 1.165 283 H CA -0.789 55.201 56.048 -0.096 0.000 1.154 283 H CB 1.849 31.602 29.762 -0.015 0.000 1.765 283 H HN 0.793 nan 8.280 nan 0.000 0.549 284 R N 0.678 121.153 120.500 -0.041 0.000 2.075 284 R HA -0.075 4.259 4.340 -0.010 0.000 0.232 284 R C -0.288 175.684 176.300 -0.546 0.000 1.126 284 R CA 1.374 57.316 56.100 -0.262 0.000 0.963 284 R CB 0.166 30.443 30.300 -0.037 0.000 0.858 284 R HN 0.431 nan 8.270 nan 0.000 0.435 285 W N -0.138 121.172 121.300 0.016 0.000 3.439 285 W HA 0.401 5.055 4.660 -0.011 0.000 0.323 285 W C -1.240 175.239 176.519 -0.066 0.000 1.174 285 W CA -0.911 56.410 57.345 -0.041 0.000 1.224 285 W CB 1.731 31.148 29.460 -0.071 0.000 1.348 285 W HN -0.221 nan 8.180 nan 0.000 0.498 286 V N 0.325 120.310 119.914 0.119 0.000 2.971 286 V HA 0.712 4.826 4.120 -0.010 0.000 0.309 286 V C -2.854 173.255 176.094 0.026 0.000 1.130 286 V CA -3.300 58.985 62.300 -0.025 0.000 0.964 286 V CB 1.961 33.616 31.823 -0.280 0.000 1.029 286 V HN 0.297 nan 8.190 nan 0.000 0.427 287 P HA 0.203 nan 4.420 nan 0.000 0.259 287 P C 0.631 177.915 177.300 -0.026 0.000 1.211 287 P CA 0.496 63.557 63.100 -0.066 0.000 0.810 287 P CB -0.158 31.491 31.700 -0.083 0.000 0.815 288 H N 1.969 120.934 119.070 -0.175 0.000 2.387 288 H HA -0.144 4.406 4.556 -0.010 0.000 0.299 288 H C 1.748 176.932 175.328 -0.239 0.000 1.099 288 H CA 1.371 57.295 56.048 -0.207 0.000 1.315 288 H CB 0.040 29.716 29.762 -0.144 0.000 1.380 288 H HN 0.264 nan 8.280 nan 0.000 0.513 289 V N -0.360 119.477 119.914 -0.129 0.000 2.594 289 V HA -0.172 3.942 4.120 -0.010 0.000 0.253 289 V C 2.016 178.015 176.094 -0.158 0.000 1.069 289 V CA 1.490 63.655 62.300 -0.225 0.000 1.082 289 V CB -0.283 31.245 31.823 -0.491 0.000 0.680 289 V HN 0.171 nan 8.190 nan 0.000 0.469 290 K N 0.430 120.756 120.400 -0.122 0.000 2.167 290 K HA 0.177 4.491 4.320 -0.010 0.000 0.203 290 K C 2.125 178.651 176.600 -0.124 0.000 1.052 290 K CA 1.218 57.474 56.287 -0.051 0.000 0.956 290 K CB -0.389 32.153 32.500 0.070 0.000 0.735 290 K HN 0.533 nan 8.250 nan 0.000 0.451 291 V N 1.529 121.198 119.914 -0.410 0.000 2.323 291 V HA -0.151 3.963 4.120 -0.010 0.000 0.244 291 V C 2.329 178.113 176.094 -0.516 0.000 1.041 291 V CA 1.201 62.985 62.300 -0.860 0.000 1.025 291 V CB -0.397 30.815 31.823 -1.018 0.000 0.656 291 V HN 0.146 nan 8.190 nan 0.000 0.451 292 L N 0.133 121.118 121.223 -0.397 0.000 2.191 292 L HA -0.196 4.138 4.340 -0.010 0.000 0.212 292 L C 2.527 179.060 176.870 -0.561 0.000 1.103 292 L CA 1.659 56.308 54.840 -0.318 0.000 0.769 292 L CB -0.547 41.438 42.059 -0.123 0.000 0.908 292 L HN 0.460 nan 8.230 nan 0.000 0.438 293 E N 0.152 119.842 120.200 -0.850 0.000 2.110 293 E HA -0.218 4.126 4.350 -0.010 0.000 0.193 293 E C 1.499 177.727 176.600 -0.619 0.000 0.988 293 E CA 1.005 56.597 56.400 -1.346 0.000 0.804 293 E CB 0.238 29.290 29.700 -1.081 0.000 0.745 293 E HN 0.504 nan 8.360 nan 0.000 0.458 294 Q N -0.399 119.232 119.800 -0.281 0.000 2.220 294 Q HA 0.292 4.626 4.340 -0.010 0.000 0.205 294 Q C 0.039 176.026 176.000 -0.022 0.000 0.865 294 Q CA 0.134 55.898 55.803 -0.065 0.000 0.960 294 Q CB 1.232 30.060 28.738 0.150 0.000 1.097 294 Q HN 0.145 nan 8.270 nan 0.000 0.493 295 A N 0.270 123.034 122.820 -0.094 0.000 2.257 295 A HA 0.489 4.803 4.320 -0.010 0.000 0.289 295 A C 0.807 178.414 177.584 0.039 0.000 1.095 295 A CA -0.114 51.903 52.037 -0.034 0.000 0.836 295 A CB 0.743 19.680 19.000 -0.105 0.000 1.111 295 A HN 0.088 nan 8.150 nan 0.000 0.497 296 T N -1.021 113.591 114.554 0.097 0.000 3.019 296 T HA 0.308 4.652 4.350 -0.010 0.000 0.247 296 T C 0.013 174.800 174.700 0.145 0.000 0.992 296 T CA 0.628 62.820 62.100 0.154 0.000 1.036 296 T CB 0.257 69.282 68.868 0.261 0.000 1.063 296 T HN 0.415 nan 8.240 nan 0.000 0.476 297 V N 0.673 120.650 119.914 0.105 0.000 3.007 297 V HA 0.561 4.675 4.120 -0.010 0.000 0.311 297 V C -1.103 174.977 176.094 -0.023 0.000 1.120 297 V CA -1.388 60.933 62.300 0.035 0.000 0.980 297 V CB 2.230 34.036 31.823 -0.028 0.000 1.033 297 V HN 0.389 nan 8.190 nan 0.000 0.429 298 C N 4.089 123.373 119.300 -0.028 0.000 2.301 298 C HA 0.774 5.228 4.460 -0.010 0.000 0.323 298 C C -0.338 174.622 174.990 -0.050 0.000 1.265 298 C CA -0.232 58.751 59.018 -0.058 0.000 1.503 298 C CB 0.169 27.885 27.740 -0.040 0.000 2.195 298 C HN 0.704 nan 8.230 nan 0.000 0.477 299 V N 6.394 126.268 119.914 -0.066 0.000 2.350 299 V HA 0.632 4.745 4.120 -0.010 0.000 0.276 299 V C 0.490 176.588 176.094 0.006 0.000 1.028 299 V CA 0.239 62.527 62.300 -0.020 0.000 0.860 299 V CB 1.388 33.204 31.823 -0.012 0.000 0.990 299 V HN 0.977 nan 8.190 nan 0.000 0.453 300 T N 2.576 117.139 114.554 0.016 0.000 2.900 300 T HA 0.330 4.674 4.350 -0.010 0.000 0.303 300 T C 0.903 175.607 174.700 0.008 0.000 1.142 300 T CA -0.453 61.667 62.100 0.033 0.000 1.007 300 T CB 1.281 70.141 68.868 -0.013 0.000 1.156 300 T HN 0.865 nan 8.240 nan 0.000 0.490 301 H N 1.648 120.687 119.070 -0.052 0.000 2.491 301 H HA 0.197 4.746 4.556 -0.010 0.000 0.290 301 H C 1.315 176.624 175.328 -0.032 0.000 1.050 301 H CA 1.446 57.441 56.048 -0.089 0.000 1.309 301 H CB -0.094 29.599 29.762 -0.115 0.000 1.392 301 H HN 1.020 nan 8.280 nan 0.000 0.554 302 G N -0.191 108.239 108.800 -0.616 0.000 2.200 302 G HA2 -0.142 3.812 3.960 -0.010 0.000 0.145 302 G HA3 -0.142 3.812 3.960 -0.010 0.000 0.145 302 G C 0.720 175.350 174.900 -0.450 0.000 1.021 302 G CA 0.061 44.934 45.100 -0.378 0.000 0.720 302 G HN 0.824 nan 8.290 nan 0.000 0.494 306 T N 2.181 116.748 114.554 0.022 0.000 2.777 306 T HA 0.225 4.569 4.350 -0.010 0.000 0.266 306 T C 1.546 176.253 174.700 0.012 0.000 1.040 306 T CA 0.491 62.640 62.100 0.081 0.000 1.141 306 T CB -0.176 68.801 68.868 0.183 0.000 0.868 306 T HN 0.094 nan 8.240 nan 0.000 0.444 310 A N 1.502 124.398 122.820 0.126 0.000 1.873 310 A HA -0.047 4.266 4.320 -0.010 0.000 0.215 310 A C 2.082 179.770 177.584 0.173 0.000 1.186 310 A CA 1.141 53.268 52.037 0.150 0.000 0.616 310 A CB -0.590 18.442 19.000 0.054 0.000 0.823 310 A HN 0.151 nan 8.150 nan 0.000 0.442 311 L N -2.009 119.265 121.223 0.086 0.000 2.201 311 L HA -0.176 4.158 4.340 -0.010 0.000 0.212 311 L C 2.511 179.421 176.870 0.067 0.000 1.105 311 L CA 1.378 56.248 54.840 0.050 0.000 0.775 311 L CB -0.622 41.409 42.059 -0.046 0.000 0.913 311 L HN 0.591 nan 8.230 nan 0.000 0.440 312 Y N -0.300 119.979 120.300 -0.035 0.000 2.241 312 Y HA -0.276 4.268 4.550 -0.010 0.000 0.286 312 Y C 1.546 177.262 175.900 -0.306 0.000 1.166 312 Y CA 1.638 59.633 58.100 -0.174 0.000 1.203 312 Y CB -0.180 38.180 38.460 -0.167 0.000 0.977 312 Y HN 0.120 nan 8.280 nan 0.000 0.529 313 W N -0.405 120.967 121.300 0.120 0.000 3.239 313 W HA 0.387 5.041 4.660 -0.010 0.000 0.348 313 W C 1.364 177.887 176.519 0.007 0.000 1.183 313 W CA 0.399 57.772 57.345 0.047 0.000 1.819 313 W CB 0.137 29.663 29.460 0.110 0.000 1.091 313 W HN 0.117 nan 8.180 nan 0.000 0.629 314 G N 1.997 110.885 108.800 0.146 0.000 2.272 314 G HA2 -0.278 3.676 3.960 -0.010 0.000 0.280 314 G HA3 -0.278 3.676 3.960 -0.010 0.000 0.280 314 G C 0.086 175.058 174.900 0.120 0.000 1.067 314 G CA -0.595 44.563 45.100 0.097 0.000 0.902 314 G HN 0.052 nan 8.290 nan 0.000 0.500 315 R N 0.081 120.662 120.500 0.135 0.000 2.229 315 R HA 0.374 4.708 4.340 -0.010 0.000 0.328 315 R C -2.377 173.969 176.300 0.077 0.000 1.009 315 R CA -2.155 54.009 56.100 0.108 0.000 0.864 315 R CB 0.787 31.149 30.300 0.104 0.000 1.085 315 R HN 0.147 nan 8.270 nan 0.000 0.453 316 P HA 0.049 nan 4.420 nan 0.000 0.267 316 P C -0.321 177.005 177.300 0.043 0.000 1.200 316 P CA 0.147 63.283 63.100 0.060 0.000 0.772 316 P CB 0.547 32.287 31.700 0.067 0.000 0.855 317 L N 1.874 123.121 121.223 0.040 0.000 2.334 317 L HA 0.559 4.893 4.340 -0.010 0.000 0.273 317 L C -0.470 176.412 176.870 0.020 0.000 1.013 317 L CA -1.016 53.840 54.840 0.028 0.000 0.816 317 L CB 2.002 44.084 42.059 0.039 0.000 1.278 317 L HN 0.032 nan 8.230 nan 0.000 0.431 318 V N 3.184 123.103 119.914 0.009 0.000 2.409 318 V HA 0.351 4.464 4.120 -0.010 0.000 0.290 318 V C -0.308 175.796 176.094 0.017 0.000 1.017 318 V CA -0.635 61.672 62.300 0.013 0.000 0.841 318 V CB 1.917 33.743 31.823 0.004 0.000 1.003 318 V HN 0.407 nan 8.190 nan 0.000 0.426 319 V N 5.563 125.489 119.914 0.020 0.000 2.394 319 V HA 0.434 4.548 4.120 -0.010 0.000 0.282 319 V C 0.277 176.377 176.094 0.010 0.000 1.031 319 V CA -0.594 61.712 62.300 0.010 0.000 0.881 319 V CB 1.688 33.521 31.823 0.017 0.000 0.982 319 V HN 0.727 nan 8.190 nan 0.000 0.451 320 V N 2.764 122.675 119.914 -0.005 0.000 2.326 320 V HA 0.445 4.559 4.120 -0.010 0.000 0.254 320 V C -2.624 173.436 176.094 -0.057 0.000 1.022 320 V CA -2.355 59.930 62.300 -0.026 0.000 1.074 320 V CB 0.232 32.033 31.823 -0.037 0.000 1.305 320 V HN 0.691 nan 8.190 nan 0.000 0.506 321 P HA 0.196 nan 4.420 nan 0.000 0.262 321 P C 0.263 177.519 177.300 -0.072 0.000 1.199 321 P CA 0.551 63.631 63.100 -0.032 0.000 0.763 321 P CB 0.726 32.414 31.700 -0.020 0.000 0.790 322 Q N 0.497 120.236 119.800 -0.102 0.000 2.246 322 Q HA 0.147 4.481 4.340 -0.010 0.000 0.222 322 Q C 0.471 176.334 176.000 -0.228 0.000 0.851 322 Q CA 0.479 56.192 55.803 -0.150 0.000 0.945 322 Q CB 0.538 29.168 28.738 -0.180 0.000 1.122 322 Q HN 0.587 nan 8.270 nan 0.000 0.508 323 S N -1.076 114.443 115.700 -0.303 0.000 2.651 323 S HA 0.423 4.887 4.470 -0.010 0.000 0.279 323 S C 0.581 174.943 174.600 -0.396 0.000 1.148 323 S CA -0.815 57.046 58.200 -0.565 0.000 0.837 323 S CB 0.314 62.704 63.200 -1.350 0.000 1.138 323 S HN 0.116 nan 8.310 nan 0.000 0.478 324 F N 1.168 120.885 119.950 -0.388 0.000 2.186 324 F HA 0.052 4.573 4.527 -0.010 0.000 0.299 324 F C 1.837 177.555 175.800 -0.136 0.000 1.090 324 F CA 1.325 59.189 58.000 -0.227 0.000 1.307 324 F CB -0.812 38.043 39.000 -0.242 0.000 1.019 324 F HN 0.627 nan 8.300 nan 0.000 0.489 325 D N 0.642 120.374 120.400 -1.112 0.000 2.350 325 D HA -0.116 4.518 4.640 -0.010 0.000 0.216 325 D C 1.674 177.938 176.300 -0.061 0.000 0.968 325 D CA 0.838 54.500 54.000 -0.563 0.000 0.894 325 D CB -0.416 40.036 40.800 -0.580 0.000 0.909 325 D HN 0.396 nan 8.370 nan 0.000 0.520 326 V N -0.110 119.765 119.914 -0.066 0.000 3.556 326 V HA 0.011 4.125 4.120 -0.010 0.000 0.287 326 V C 2.183 178.325 176.094 0.080 0.000 1.422 326 V CA 0.068 62.395 62.300 0.045 0.000 1.038 326 V CB 0.460 32.301 31.823 0.030 0.000 0.850 326 V HN 0.063 nan 8.190 nan 0.000 0.437 327 Q N 0.719 120.562 119.800 0.072 0.000 2.119 327 Q HA -0.032 4.302 4.340 -0.010 0.000 0.201 327 Q C -1.176 174.913 176.000 0.148 0.000 0.972 327 Q CA 0.752 56.606 55.803 0.086 0.000 0.847 327 Q CB -1.121 27.654 28.738 0.062 0.000 0.903 327 Q HN 0.524 nan 8.270 nan 0.000 0.433 331 R N 0.290 120.834 120.500 0.074 0.000 2.092 331 R HA -0.092 4.242 4.340 -0.010 0.000 0.231 331 R C 2.113 178.409 176.300 -0.006 0.000 1.119 331 R CA 2.055 58.173 56.100 0.029 0.000 0.970 331 R CB -0.178 30.134 30.300 0.020 0.000 0.864 331 R HN 0.328 nan 8.270 nan 0.000 0.440 332 R N 0.184 120.676 120.500 -0.013 0.000 2.090 332 R HA -0.005 4.329 4.340 -0.010 0.000 0.228 332 R C 1.928 178.187 176.300 -0.068 0.000 1.110 332 R CA 1.432 57.449 56.100 -0.139 0.000 0.973 332 R CB -0.584 29.542 30.300 -0.290 0.000 0.869 332 R HN 0.151 nan 8.270 nan 0.000 0.440 333 V N 1.058 121.028 119.914 0.093 0.000 2.427 333 V HA -0.187 3.926 4.120 -0.010 0.000 0.248 333 V C 1.876 178.025 176.094 0.090 0.000 1.051 333 V CA 2.171 64.578 62.300 0.177 0.000 1.048 333 V CB -0.539 31.409 31.823 0.209 0.000 0.666 333 V HN 0.394 nan 8.190 nan 0.000 0.456 334 D N 0.135 120.568 120.400 0.054 0.000 2.144 334 D HA -0.191 4.443 4.640 -0.010 0.000 0.200 334 D C 2.343 178.652 176.300 0.015 0.000 0.978 334 D CA 1.611 55.631 54.000 0.033 0.000 0.833 334 D CB -0.038 40.776 40.800 0.023 0.000 0.961 334 D HN 0.721 nan 8.370 nan 0.000 0.470 335 Q N -0.451 119.345 119.800 -0.007 0.000 2.331 335 Q HA 0.014 4.348 4.340 -0.010 0.000 0.203 335 Q C 2.043 178.031 176.000 -0.020 0.000 0.944 335 Q CA 0.550 56.338 55.803 -0.025 0.000 0.892 335 Q CB -0.198 28.506 28.738 -0.056 0.000 0.983 335 Q HN 0.277 nan 8.270 nan 0.000 0.482 336 L N 0.643 121.862 121.223 -0.007 0.000 2.591 336 L HA 0.249 4.583 4.340 -0.010 0.000 0.228 336 L C 0.903 177.801 176.870 0.046 0.000 1.133 336 L CA 0.359 55.211 54.840 0.019 0.000 0.880 336 L CB -0.082 42.005 42.059 0.046 0.000 1.033 336 L HN 0.543 nan 8.230 nan 0.000 0.450 337 G N 0.696 109.521 108.800 0.043 0.000 2.273 337 G HA2 -0.286 3.668 3.960 -0.010 0.000 0.280 337 G HA3 -0.286 3.668 3.960 -0.010 0.000 0.280 337 G C 0.629 175.566 174.900 0.062 0.000 1.047 337 G CA 0.240 45.367 45.100 0.045 0.000 0.869 337 G HN 0.373 nan 8.290 nan 0.000 0.502 338 L N -0.648 120.626 121.223 0.086 0.000 2.592 338 L HA 0.473 4.807 4.340 -0.010 0.000 0.227 338 L C 1.523 178.440 176.870 0.079 0.000 1.127 338 L CA 0.667 55.566 54.840 0.098 0.000 0.884 338 L CB -0.074 42.075 42.059 0.150 0.000 1.065 338 L HN 0.683 nan 8.230 nan 0.000 0.457 339 G N -0.696 108.144 108.800 0.066 0.000 2.321 339 G HA2 0.524 4.478 3.960 -0.010 0.000 0.296 339 G HA3 0.524 4.478 3.960 -0.010 0.000 0.296 339 G C -1.995 172.930 174.900 0.042 0.000 1.287 339 G CA -0.106 45.026 45.100 0.052 0.000 0.846 339 G HN -0.046 nan 8.290 nan 0.000 0.508 340 A N -0.760 122.080 122.820 0.032 0.000 2.301 340 A HA 0.750 5.064 4.320 -0.010 0.000 0.312 340 A C -0.405 177.195 177.584 0.026 0.000 1.182 340 A CA -0.519 51.534 52.037 0.026 0.000 0.826 340 A CB 1.393 20.404 19.000 0.018 0.000 1.134 340 A HN 1.486 nan 8.150 nan 0.000 0.501 341 V N 3.683 123.612 119.914 0.024 0.000 2.378 341 V HA 0.322 4.436 4.120 -0.010 0.000 0.288 341 V C -0.441 175.664 176.094 0.019 0.000 1.016 341 V CA -0.119 62.195 62.300 0.023 0.000 0.840 341 V CB 0.953 32.791 31.823 0.025 0.000 0.994 341 V HN 0.713 nan 8.190 nan 0.000 0.431 342 L N 7.281 128.516 121.223 0.020 0.000 2.335 342 L HA 0.432 4.765 4.340 -0.010 0.000 0.268 342 L C -2.549 174.328 176.870 0.012 0.000 1.037 342 L CA -1.631 53.221 54.840 0.020 0.000 0.895 342 L CB 1.378 43.458 42.059 0.034 0.000 1.266 342 L HN 0.402 nan 8.230 nan 0.000 0.439 343 P HA 0.159 nan 4.420 nan 0.000 0.276 343 P C 0.916 178.209 177.300 -0.011 0.000 1.235 343 P CA 0.398 63.494 63.100 -0.007 0.000 0.772 343 P CB 1.367 33.065 31.700 -0.004 0.000 0.871 344 G N 3.843 112.625 108.800 -0.030 0.000 2.685 344 G HA2 -0.409 3.545 3.960 -0.010 0.000 0.329 344 G HA3 -0.409 3.545 3.960 -0.010 0.000 0.329 344 G C 1.167 176.061 174.900 -0.008 0.000 1.271 344 G CA 0.715 45.795 45.100 -0.034 0.000 1.003 344 G HN 0.519 nan 8.290 nan 0.000 0.549 345 E N 0.526 120.725 120.200 -0.001 0.000 2.187 345 E HA -0.210 4.134 4.350 -0.010 0.000 0.199 345 E C 2.508 179.122 176.600 0.023 0.000 1.004 345 E CA 1.563 57.971 56.400 0.013 0.000 0.813 345 E CB -0.188 29.517 29.700 0.008 0.000 0.736 345 E HN 0.590 nan 8.360 nan 0.000 0.468 346 K N 0.152 120.563 120.400 0.018 0.000 2.360 346 K HA -0.039 4.275 4.320 -0.010 0.000 0.201 346 K C 1.188 177.810 176.600 0.037 0.000 1.046 346 K CA 0.693 56.992 56.287 0.021 0.000 0.945 346 K CB 0.127 32.635 32.500 0.014 0.000 0.750 346 K HN -0.007 nan 8.250 nan 0.000 0.464 347 A N 2.957 125.814 122.820 0.062 0.000 2.916 347 A HA 0.029 4.343 4.320 -0.010 0.000 0.254 347 A C -0.524 177.145 177.584 0.142 0.000 1.544 347 A CA -0.481 51.629 52.037 0.121 0.000 1.224 347 A CB -1.015 18.085 19.000 0.166 0.000 1.012 347 A HN 0.356 nan 8.150 nan 0.000 0.636 348 D N -1.629 118.807 120.400 0.060 0.000 2.377 348 D HA 0.407 5.041 4.640 -0.010 0.000 0.245 348 D C 1.409 177.694 176.300 -0.026 0.000 1.196 348 D CA 0.046 54.055 54.000 0.016 0.000 0.962 348 D CB 0.459 41.261 40.800 0.003 0.000 1.127 348 D HN -0.019 nan 8.370 nan 0.000 0.471 349 G N -0.249 108.512 108.800 -0.066 0.000 2.459 349 G HA2 -0.295 3.659 3.960 -0.010 0.000 0.217 349 G HA3 -0.295 3.659 3.960 -0.010 0.000 0.217 349 G C 1.088 175.945 174.900 -0.072 0.000 1.183 349 G CA 0.850 45.908 45.100 -0.069 0.000 0.776 349 G HN 0.574 nan 8.290 nan 0.000 0.552 350 D N 0.174 120.529 120.400 -0.075 0.000 2.097 350 D HA -0.075 4.559 4.640 -0.010 0.000 0.195 350 D C 2.728 178.975 176.300 -0.088 0.000 0.989 350 D CA 1.569 55.511 54.000 -0.096 0.000 0.827 350 D CB -0.718 40.042 40.800 -0.067 0.000 0.966 350 D HN 0.225 nan 8.370 nan 0.000 0.456 351 T N 1.434 115.958 114.554 -0.049 0.000 2.788 351 T HA -0.132 4.212 4.350 -0.010 0.000 0.268 351 T C 1.870 176.552 174.700 -0.030 0.000 1.044 351 T CA 0.407 62.488 62.100 -0.032 0.000 1.139 351 T CB -0.234 68.629 68.868 -0.008 0.000 0.867 351 T HN 0.013 nan 8.240 nan 0.000 0.454 352 L N 0.949 122.163 121.223 -0.015 0.000 2.201 352 L HA 0.153 4.486 4.340 -0.010 0.000 0.212 352 L C 1.958 178.819 176.870 -0.015 0.000 1.105 352 L CA 1.182 56.037 54.840 0.025 0.000 0.775 352 L CB -0.648 41.457 42.059 0.078 0.000 0.913 352 L HN 0.172 nan 8.230 nan 0.000 0.440 353 L N -0.378 120.739 121.223 -0.178 0.000 2.072 353 L HA 0.083 4.417 4.340 -0.010 0.000 0.205 353 L C 2.432 179.140 176.870 -0.271 0.000 1.079 353 L CA 1.934 56.492 54.840 -0.470 0.000 0.752 353 L CB -1.054 40.620 42.059 -0.642 0.000 0.906 353 L HN 0.195 nan 8.230 nan 0.000 0.436 354 A N -0.420 122.310 122.820 -0.150 0.000 1.930 354 A HA 0.010 4.324 4.320 -0.010 0.000 0.217 354 A C 2.420 179.972 177.584 -0.053 0.000 1.175 354 A CA 1.528 53.519 52.037 -0.077 0.000 0.627 354 A CB -1.026 17.945 19.000 -0.049 0.000 0.815 354 A HN 0.559 nan 8.150 nan 0.000 0.443 355 A N -0.520 122.267 122.820 -0.054 0.000 1.873 355 A HA 0.026 4.340 4.320 -0.010 0.000 0.215 355 A C 2.215 179.764 177.584 -0.059 0.000 1.186 355 A CA 1.650 53.667 52.037 -0.033 0.000 0.616 355 A CB -0.974 18.017 19.000 -0.014 0.000 0.823 355 A HN 0.347 nan 8.150 nan 0.000 0.442 356 V N 0.015 119.855 119.914 -0.123 0.000 2.287 356 V HA -0.232 3.882 4.120 -0.010 0.000 0.248 356 V C 2.803 178.745 176.094 -0.254 0.000 1.053 356 V CA 2.186 64.335 62.300 -0.253 0.000 1.027 356 V CB -1.375 30.188 31.823 -0.433 0.000 0.646 356 V HN 0.626 nan 8.190 nan 0.000 0.447 357 G N -0.932 107.775 108.800 -0.156 0.000 2.402 357 G HA2 -0.161 3.793 3.960 -0.010 0.000 0.216 357 G HA3 -0.161 3.793 3.960 -0.010 0.000 0.216 357 G C 1.764 176.752 174.900 0.148 0.000 1.162 357 G CA 1.008 46.217 45.100 0.181 0.000 0.777 357 G HN 0.615 nan 8.290 nan 0.000 0.539 358 A N 0.707 123.564 122.820 0.061 0.000 1.858 358 A HA 0.013 4.327 4.320 -0.010 0.000 0.216 358 A C 2.714 180.336 177.584 0.063 0.000 1.190 358 A CA 2.718 54.789 52.037 0.057 0.000 0.617 358 A CB -0.967 18.050 19.000 0.029 0.000 0.827 358 A HN 0.926 nan 8.150 nan 0.000 0.443 359 V N -2.639 117.304 119.914 0.048 0.000 2.626 359 V HA 0.053 4.167 4.120 -0.010 0.000 0.252 359 V C 2.384 178.528 176.094 0.083 0.000 1.067 359 V CA 1.729 64.061 62.300 0.054 0.000 1.081 359 V CB -1.275 30.569 31.823 0.036 0.000 0.686 359 V HN 0.520 nan 8.190 nan 0.000 0.468 360 A N 0.241 123.135 122.820 0.124 0.000 2.168 360 A HA 0.512 4.826 4.320 -0.010 0.000 0.215 360 A C 2.049 179.726 177.584 0.155 0.000 1.152 360 A CA 1.319 53.467 52.037 0.186 0.000 0.716 360 A CB -0.471 18.752 19.000 0.371 0.000 0.794 360 A HN 1.138 nan 8.150 nan 0.000 0.465 361 A N -0.867 122.029 122.820 0.127 0.000 2.594 361 A HA 0.357 4.671 4.320 -0.010 0.000 0.287 361 A C -0.073 177.552 177.584 0.069 0.000 1.227 361 A CA -0.055 52.040 52.037 0.097 0.000 0.952 361 A CB 0.083 19.143 19.000 0.100 0.000 1.161 361 A HN 0.213 nan 8.150 nan 0.000 0.524 362 D N 0.458 120.897 120.400 0.065 0.000 2.427 362 D HA 0.370 5.004 4.640 -0.010 0.000 0.226 362 D C -2.043 174.285 176.300 0.046 0.000 1.076 362 D CA -1.889 52.141 54.000 0.050 0.000 0.849 362 D CB 1.871 42.699 40.800 0.047 0.000 1.052 362 D HN -0.021 nan 8.370 nan 0.000 0.515 363 P HA -0.044 nan 4.420 nan 0.000 0.217 363 P C 0.923 178.242 177.300 0.032 0.000 1.150 363 P CA 0.922 64.042 63.100 0.034 0.000 0.832 363 P CB 0.364 32.081 31.700 0.028 0.000 0.787 364 A N -0.531 122.307 122.820 0.030 0.000 1.872 364 A HA -0.117 4.197 4.320 -0.010 0.000 0.214 364 A C 2.216 179.820 177.584 0.033 0.000 1.187 364 A CA 1.128 53.182 52.037 0.028 0.000 0.614 364 A CB -1.628 17.387 19.000 0.025 0.000 0.826 364 A HN 0.161 nan 8.150 nan 0.000 0.442 365 L N -0.740 120.506 121.223 0.037 0.000 2.012 365 L HA -0.179 4.155 4.340 -0.010 0.000 0.210 365 L C 2.201 179.099 176.870 0.047 0.000 1.073 365 L CA 1.392 56.258 54.840 0.043 0.000 0.748 365 L CB -0.272 41.814 42.059 0.046 0.000 0.891 365 L HN 0.288 nan 8.230 nan 0.000 0.431 366 L N 0.093 121.344 121.223 0.047 0.000 2.127 366 L HA -0.175 4.159 4.340 -0.010 0.000 0.211 366 L C 2.733 179.626 176.870 0.038 0.000 1.089 366 L CA 1.860 56.728 54.840 0.047 0.000 0.757 366 L CB -1.539 40.549 42.059 0.049 0.000 0.899 366 L HN 0.353 nan 8.230 nan 0.000 0.434 367 A N -0.706 122.133 122.820 0.033 0.000 1.930 367 A HA -0.177 4.137 4.320 -0.010 0.000 0.217 367 A C 2.475 180.077 177.584 0.029 0.000 1.175 367 A CA 1.344 53.396 52.037 0.026 0.000 0.627 367 A CB -0.340 18.674 19.000 0.023 0.000 0.815 367 A HN 0.383 nan 8.150 nan 0.000 0.443 368 R N -0.880 119.643 120.500 0.039 0.000 2.093 368 R HA 0.015 4.349 4.340 -0.010 0.000 0.224 368 R C 1.944 178.279 176.300 0.058 0.000 1.101 368 R CA 1.150 57.281 56.100 0.051 0.000 0.979 368 R CB -0.419 29.915 30.300 0.057 0.000 0.877 368 R HN 0.358 nan 8.270 nan 0.000 0.441 369 V N 1.255 121.202 119.914 0.055 0.000 2.427 369 V HA -0.217 3.897 4.120 -0.010 0.000 0.248 369 V C 2.200 178.315 176.094 0.035 0.000 1.051 369 V CA 1.919 64.252 62.300 0.056 0.000 1.048 369 V CB -0.342 31.516 31.823 0.059 0.000 0.666 369 V HN 0.255 nan 8.190 nan 0.000 0.456 370 E N 0.722 120.936 120.200 0.023 0.000 2.072 370 E HA -0.008 4.335 4.350 -0.010 0.000 0.191 370 E C 1.313 177.891 176.600 -0.036 0.000 0.985 370 E CA 0.933 57.331 56.400 -0.003 0.000 0.801 370 E CB -0.346 29.354 29.700 0.001 0.000 0.750 370 E HN 0.634 nan 8.360 nan 0.000 0.452 374 G N 0.939 109.638 108.800 -0.167 0.000 2.418 374 G HA2 -0.242 3.712 3.960 -0.010 0.000 0.217 374 G HA3 -0.242 3.712 3.960 -0.010 0.000 0.217 374 G C 0.988 175.767 174.900 -0.200 0.000 1.158 374 G CA 1.211 46.177 45.100 -0.223 0.000 0.771 374 G HN 0.311 nan 8.290 nan 0.000 0.545 375 H N -0.043 119.010 119.070 -0.028 0.000 2.389 375 H HA 0.017 4.566 4.556 -0.010 0.000 0.299 375 H C 2.859 178.182 175.328 -0.008 0.000 1.081 375 H CA 1.105 57.145 56.048 -0.012 0.000 1.345 375 H CB -0.480 29.285 29.762 0.005 0.000 1.393 375 H HN 0.199 nan 8.280 nan 0.000 0.520 376 V N 1.612 121.583 119.914 0.095 0.000 2.343 376 V HA -0.229 3.885 4.120 -0.010 0.000 0.247 376 V C 2.626 178.745 176.094 0.041 0.000 1.051 376 V CA 1.520 63.862 62.300 0.070 0.000 1.036 376 V CB -0.227 31.628 31.823 0.054 0.000 0.654 376 V HN 0.306 nan 8.190 nan 0.000 0.451 377 R N 0.841 121.308 120.500 -0.056 0.000 2.066 377 R HA -0.091 4.243 4.340 -0.010 0.000 0.232 377 R C 2.319 178.605 176.300 -0.025 0.000 1.131 377 R CA 1.634 57.681 56.100 -0.089 0.000 0.955 377 R CB -0.777 29.410 30.300 -0.189 0.000 0.851 377 R HN 0.678 nan 8.270 nan 0.000 0.432 378 R N 0.840 121.332 120.500 -0.013 0.000 2.339 378 R HA 0.205 4.539 4.340 -0.010 0.000 0.199 378 R C 0.459 176.783 176.300 0.040 0.000 1.018 378 R CA 0.537 56.644 56.100 0.012 0.000 1.036 378 R CB -0.091 30.221 30.300 0.019 0.000 0.899 378 R HN -0.038 nan 8.270 nan 0.000 0.473 379 A N 0.777 123.629 122.820 0.053 0.000 2.371 379 A HA 0.453 4.767 4.320 -0.010 0.000 0.257 379 A C 1.420 179.028 177.584 0.040 0.000 1.089 379 A CA 0.016 52.091 52.037 0.062 0.000 0.794 379 A CB 0.560 19.610 19.000 0.084 0.000 1.029 379 A HN 0.314 nan 8.150 nan 0.000 0.488 380 G N 1.120 109.938 108.800 0.030 0.000 2.586 380 G HA2 0.285 4.239 3.960 -0.010 0.000 0.218 380 G HA3 0.285 4.239 3.960 -0.010 0.000 0.218 380 G C 1.296 176.196 174.900 0.000 0.000 1.216 380 G CA 1.323 46.428 45.100 0.009 0.000 0.786 380 G HN 2.509 nan 8.290 nan 0.000 0.583 381 G N -1.579 107.221 108.800 -0.000 0.000 2.698 381 G HA2 0.244 4.198 3.960 -0.010 0.000 0.225 381 G HA3 0.244 4.198 3.960 -0.010 0.000 0.225 381 G C 1.036 175.936 174.900 0.001 0.000 1.345 381 G CA 1.048 46.141 45.100 -0.012 0.000 0.871 381 G HN 1.381 nan 8.290 nan 0.000 0.540 382 A N -0.806 122.014 122.820 -0.000 0.000 1.978 382 A HA 0.250 4.564 4.320 -0.010 0.000 0.220 382 A C 2.962 180.554 177.584 0.012 0.000 1.170 382 A CA 3.608 55.660 52.037 0.025 0.000 0.636 382 A CB -0.949 18.060 19.000 0.016 0.000 0.810 382 A HN 2.444 nan 8.150 nan 0.000 0.448 383 A N -0.356 122.465 122.820 0.001 0.000 1.873 383 A HA -0.143 4.171 4.320 -0.010 0.000 0.215 383 A C 2.265 179.850 177.584 0.002 0.000 1.186 383 A CA 1.653 53.693 52.037 0.006 0.000 0.616 383 A CB -0.452 18.550 19.000 0.003 0.000 0.823 383 A HN 0.549 nan 8.150 nan 0.000 0.442 384 R N -0.506 119.990 120.500 -0.007 0.000 2.148 384 R HA 0.022 4.355 4.340 -0.010 0.000 0.223 384 R C 2.204 178.482 176.300 -0.036 0.000 1.088 384 R CA 1.169 57.261 56.100 -0.014 0.000 0.985 384 R CB -0.324 29.969 30.300 -0.012 0.000 0.880 384 R HN 0.433 nan 8.270 nan 0.000 0.451 385 A N 1.070 123.861 122.820 -0.048 0.000 1.858 385 A HA -0.086 4.228 4.320 -0.010 0.000 0.216 385 A C 2.385 179.934 177.584 -0.057 0.000 1.190 385 A CA 1.598 53.585 52.037 -0.082 0.000 0.617 385 A CB -0.920 18.032 19.000 -0.080 0.000 0.827 385 A HN 0.487 nan 8.150 nan 0.000 0.443 386 A N -0.076 122.731 122.820 -0.021 0.000 1.948 386 A HA -0.232 4.082 4.320 -0.010 0.000 0.220 386 A C 1.755 179.338 177.584 -0.001 0.000 1.177 386 A CA 2.094 54.126 52.037 -0.008 0.000 0.636 386 A CB -0.666 18.350 19.000 0.028 0.000 0.815 386 A HN 0.497 nan 8.150 nan 0.000 0.449 387 D N 0.037 120.438 120.400 0.003 0.000 2.084 387 D HA -0.068 4.566 4.640 -0.010 0.000 0.194 387 D C 2.332 178.635 176.300 0.005 0.000 0.990 387 D CA 1.660 55.668 54.000 0.013 0.000 0.826 387 D CB -0.580 40.226 40.800 0.010 0.000 0.971 387 D HN 0.409 nan 8.370 nan 0.000 0.453 388 A N 0.715 123.521 122.820 -0.023 0.000 1.883 388 A HA -0.182 4.132 4.320 -0.010 0.000 0.217 388 A C 2.581 180.154 177.584 -0.017 0.000 1.186 388 A CA 1.677 53.692 52.037 -0.036 0.000 0.624 388 A CB -0.934 18.007 19.000 -0.097 0.000 0.822 388 A HN 0.153 nan 8.150 nan 0.000 0.444 389 V N 0.039 119.925 119.914 -0.046 0.000 2.332 389 V HA -0.304 3.810 4.120 -0.010 0.000 0.248 389 V C 2.433 178.539 176.094 0.020 0.000 1.055 389 V CA 2.440 64.721 62.300 -0.031 0.000 1.038 389 V CB -0.841 30.926 31.823 -0.094 0.000 0.651 389 V HN 0.649 nan 8.190 nan 0.000 0.450 390 E N -0.220 119.986 120.200 0.009 0.000 2.152 390 E HA -0.107 4.237 4.350 -0.010 0.000 0.192 390 E C 2.286 178.925 176.600 0.064 0.000 0.983 390 E CA 1.074 57.502 56.400 0.047 0.000 0.818 390 E CB -0.246 29.509 29.700 0.093 0.000 0.758 390 E HN 0.611 nan 8.360 nan 0.000 0.467 391 A N 0.472 123.331 122.820 0.066 0.000 1.968 391 A HA -0.176 4.138 4.320 -0.010 0.000 0.217 391 A C 1.923 179.566 177.584 0.097 0.000 1.169 391 A CA 0.906 52.984 52.037 0.067 0.000 0.638 391 A CB -0.519 18.515 19.000 0.058 0.000 0.812 391 A HN 0.315 nan 8.150 nan 0.000 0.446 392 Y N 0.531 120.811 120.300 -0.032 0.000 2.163 392 Y HA -0.139 4.405 4.550 -0.011 0.000 0.288 392 Y C 2.007 177.892 175.900 -0.025 0.000 1.136 392 Y CA 1.566 59.644 58.100 -0.037 0.000 1.147 392 Y CB -0.442 37.981 38.460 -0.061 0.000 0.987 392 Y HN 0.218 nan 8.280 nan 0.000 0.509 393 L N -0.523 120.708 121.223 0.015 0.000 2.051 393 L HA -0.349 3.984 4.340 -0.010 0.000 0.214 393 L C 2.728 179.558 176.870 -0.067 0.000 1.076 393 L CA 1.407 56.218 54.840 -0.050 0.000 0.758 393 L CB -1.074 40.995 42.059 0.016 0.000 0.890 393 L HN 0.341 nan 8.230 nan 0.000 0.433 394 A N 0.256 123.061 122.820 -0.025 0.000 1.873 394 A HA -0.236 4.077 4.320 -0.010 0.000 0.218 394 A C 2.291 179.843 177.584 -0.054 0.000 1.193 394 A CA 1.808 53.833 52.037 -0.021 0.000 0.629 394 A CB -0.559 18.444 19.000 0.005 0.000 0.826 394 A HN 0.404 nan 8.150 nan 0.000 0.447 395 R N -0.412 120.038 120.500 -0.084 0.000 2.285 395 R HA 0.185 4.519 4.340 -0.010 0.000 0.213 395 R C 1.039 177.252 176.300 -0.145 0.000 1.068 395 R CA 0.431 56.471 56.100 -0.099 0.000 1.004 395 R CB -0.470 29.775 30.300 -0.092 0.000 0.873 395 R HN 0.527 nan 8.270 nan 0.000 0.467 396 A N 0.000 122.704 122.820 -0.193 0.000 2.254 396 A HA 0.000 4.314 4.320 -0.010 0.000 0.244 396 A CA 0.000 51.928 52.037 -0.182 0.000 0.836 396 A CB 0.000 18.844 19.000 -0.261 0.000 0.831 396 A HN 0.000 nan 8.150 nan 0.000 0.486