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 2nmp_1_D DATA FIRST_RESID 10 DATA SEQUENCE GFLPHFQHFA TQAIHVGQDP EQWTSRAVVP PISLSTTFKQ GAPGQHSGFE DATA SEQUENCE YSRSGNPTRN CLEKAVAALD GAKYCLAFAS GLAATVTITH LLKAGDQIIC DATA SEQUENCE MDDVYGGTNR YFRQVASEFG LKISFVDCSK IKLLEAAITP ETKLVWIETP DATA SEQUENCE TNPTQKVIDI EGCAHIVHKH GDIILVVDNT FMSPYFQRPL ALGADISMYS DATA SEQUENCE ATKYMNGHSD VVMGLVSVNC ESLHNRLRFL QNSLGAVPSP IDCYLCNRGL DATA SEQUENCE KTLHVRMEKH FKNGMAVAQF LESNPWVEKV IYPGLPSHPQ HELVKRQCTG DATA SEQUENCE CTGMVTFYIK GTLQHAEIFL KNLKLFTLAE SLGGFESLAE LPAIMTHASX DATA SEQUENCE XKNDRDVLGI SDTLIRLSVG LEDEEDLLED LDQALKAAHP PS 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 10 G C 0.000 174.790 174.900 -0.183 0.000 0.946 10 G CA 0.000 45.050 45.100 -0.083 0.000 0.502 11 F N 1.495 121.397 119.950 -0.080 0.000 2.440 11 F HA 0.493 5.020 4.527 -0.001 0.000 0.323 11 F C 1.404 177.107 175.800 -0.163 0.000 1.192 11 F CA -0.504 57.410 58.000 -0.143 0.000 1.252 11 F CB 0.534 39.434 39.000 -0.166 0.000 1.214 11 F HN -0.178 nan 8.300 nan 0.000 0.578 12 L N 2.912 124.136 121.223 0.001 0.000 2.559 12 L HA 0.021 4.361 4.340 -0.001 0.000 0.282 12 L C -2.053 174.703 176.870 -0.190 0.000 1.232 12 L CA -1.483 53.300 54.840 -0.095 0.000 0.885 12 L CB -0.148 41.835 42.059 -0.127 0.000 1.131 12 L HN 0.299 nan 8.230 nan 0.000 0.498 13 P HA 0.079 nan 4.420 nan 0.000 0.271 13 P C -0.696 176.404 177.300 -0.333 0.000 1.218 13 P CA -0.224 62.782 63.100 -0.157 0.000 0.780 13 P CB 0.369 32.037 31.700 -0.055 0.000 0.901 14 H N 0.660 119.560 119.070 -0.283 0.000 2.948 14 H HA 0.044 4.599 4.556 -0.001 0.000 0.351 14 H C 0.107 175.233 175.328 -0.337 0.000 1.079 14 H CA 0.793 56.564 56.048 -0.461 0.000 1.407 14 H CB -0.225 29.348 29.762 -0.315 0.000 1.373 14 H HN 0.334 nan 8.280 nan 0.000 0.605 15 F N 1.428 121.360 119.950 -0.031 0.000 2.484 15 F HA -0.044 4.482 4.527 -0.001 0.000 0.360 15 F C 1.900 177.725 175.800 0.041 0.000 1.101 15 F CA -0.137 57.874 58.000 0.019 0.000 1.251 15 F CB 0.692 39.743 39.000 0.085 0.000 1.132 15 F HN 0.653 nan 8.300 nan 0.000 0.570 16 Q N 1.299 121.199 119.800 0.166 0.000 2.020 16 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 16 Q C 0.365 176.237 176.000 -0.214 0.000 0.982 16 Q CA 1.626 57.356 55.803 -0.121 0.000 0.838 16 Q CB -0.000 28.530 28.738 -0.346 0.000 0.899 16 Q HN 0.689 nan 8.270 nan 0.000 0.423 17 H N -1.393 117.782 119.070 0.175 0.000 2.481 17 H HA 0.115 4.670 4.556 -0.001 0.000 0.273 17 H C 0.056 175.463 175.328 0.132 0.000 1.145 17 H CA -0.426 55.695 56.048 0.121 0.000 0.964 17 H CB 0.138 29.934 29.762 0.057 0.000 1.722 17 H HN 0.215 nan 8.280 nan 0.000 0.573 18 F N 1.434 121.463 119.950 0.132 0.000 2.102 18 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 18 F C 2.302 178.108 175.800 0.010 0.000 1.105 18 F CA 1.427 59.502 58.000 0.125 0.000 1.239 18 F CB 0.063 39.202 39.000 0.232 0.000 0.991 18 F HN 0.344 nan 8.300 nan 0.000 0.474 19 A N -0.672 122.255 122.820 0.177 0.000 1.898 19 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 19 A C 2.141 179.632 177.584 -0.154 0.000 1.181 19 A CA 2.115 54.014 52.037 -0.231 0.000 0.620 19 A CB -1.381 17.430 19.000 -0.315 0.000 0.819 19 A HN 0.412 nan 8.150 nan 0.000 0.442 20 T N 0.222 114.786 114.554 0.015 0.000 2.746 20 T HA -0.184 4.166 4.350 -0.001 0.000 0.267 20 T C 2.057 176.810 174.700 0.088 0.000 1.039 20 T CA 1.834 63.998 62.100 0.107 0.000 1.142 20 T CB -0.249 68.695 68.868 0.127 0.000 0.866 20 T HN 0.627 nan 8.240 nan 0.000 0.444 21 Q N 0.428 120.222 119.800 -0.011 0.000 2.083 21 Q HA 0.124 4.464 4.340 -0.001 0.000 0.198 21 Q C 2.777 178.683 176.000 -0.157 0.000 0.969 21 Q CA 1.075 56.834 55.803 -0.075 0.000 0.838 21 Q CB -0.279 28.391 28.738 -0.115 0.000 0.900 21 Q HN 0.533 nan 8.270 nan 0.000 0.436 22 A N 0.873 123.533 122.820 -0.267 0.000 1.978 22 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 22 A C 1.928 179.416 177.584 -0.160 0.000 1.170 22 A CA 1.272 53.160 52.037 -0.249 0.000 0.636 22 A CB -0.466 18.388 19.000 -0.244 0.000 0.810 22 A HN 0.321 nan 8.150 nan 0.000 0.448 23 I N -2.367 118.102 120.570 -0.167 0.000 3.035 23 I HA -0.016 4.154 4.170 -0.001 0.000 0.271 23 I C 2.008 177.871 176.117 -0.423 0.000 1.190 23 I CA 0.593 61.728 61.300 -0.276 0.000 1.472 23 I CB -0.102 37.709 38.000 -0.316 0.000 1.116 23 I HN 0.359 nan 8.210 nan 0.000 0.443 24 H N -0.560 118.483 119.070 -0.046 0.000 2.788 24 H HA 0.307 4.862 4.556 -0.001 0.000 0.262 24 H C 0.573 175.881 175.328 -0.033 0.000 0.968 24 H CA 0.225 56.254 56.048 -0.030 0.000 1.218 24 H CB 0.663 30.405 29.762 -0.034 0.000 1.443 24 H HN -0.037 nan 8.280 nan 0.000 0.478 25 V N 1.789 121.730 119.914 0.045 0.000 2.446 25 V HA 0.254 4.374 4.120 -0.001 0.000 0.276 25 V C 1.272 177.370 176.094 0.007 0.000 1.030 25 V CA 1.203 63.508 62.300 0.007 0.000 1.033 25 V CB 0.575 32.377 31.823 -0.036 0.000 0.993 25 V HN 0.817 nan 8.190 nan 0.000 0.477 26 G N 4.721 113.534 108.800 0.021 0.000 2.179 26 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.220 26 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.220 26 G C 0.430 175.386 174.900 0.092 0.000 0.990 26 G CA 0.287 45.414 45.100 0.045 0.000 0.646 26 G HN 0.619 nan 8.290 nan 0.000 0.517 27 Q N 0.338 120.188 119.800 0.083 0.000 2.149 27 Q HA 0.269 4.608 4.340 -0.001 0.000 0.221 27 Q C 0.304 176.382 176.000 0.130 0.000 0.807 27 Q CA -0.060 55.825 55.803 0.137 0.000 1.000 27 Q CB 0.454 29.238 28.738 0.076 0.000 1.157 27 Q HN 0.447 nan 8.270 nan 0.000 0.487 28 D N 0.585 121.005 120.400 0.033 0.000 2.472 28 D HA -0.036 4.603 4.640 -0.001 0.000 0.248 28 D C -1.678 174.562 176.300 -0.099 0.000 1.174 28 D CA -1.363 52.620 54.000 -0.027 0.000 0.883 28 D CB 1.335 42.080 40.800 -0.092 0.000 1.149 28 D HN 0.018 nan 8.370 nan 0.000 0.488 29 P HA -0.132 nan 4.420 nan 0.000 0.216 29 P C 0.883 178.096 177.300 -0.145 0.000 1.150 29 P CA 0.909 64.025 63.100 0.028 0.000 0.837 29 P CB 0.260 32.016 31.700 0.093 0.000 0.786 30 E N -0.490 119.621 120.200 -0.149 0.000 2.393 30 E HA -0.211 4.139 4.350 -0.001 0.000 0.201 30 E C 1.963 178.386 176.600 -0.295 0.000 1.025 30 E CA 0.927 57.228 56.400 -0.165 0.000 0.856 30 E CB -0.727 28.902 29.700 -0.119 0.000 0.771 30 E HN 0.402 nan 8.360 nan 0.000 0.526 31 Q N -1.322 118.122 119.800 -0.595 0.000 2.226 31 Q HA -0.117 4.222 4.340 -0.001 0.000 0.204 31 Q C -0.138 175.385 176.000 -0.794 0.000 0.975 31 Q CA 0.855 56.091 55.803 -0.945 0.000 0.866 31 Q CB 0.081 27.771 28.738 -1.746 0.000 0.915 31 Q HN 0.325 nan 8.270 nan 0.000 0.440 32 W N -1.004 120.316 121.300 0.033 0.000 2.578 32 W HA 0.204 4.864 4.660 -0.001 0.000 0.346 32 W C 1.493 178.027 176.519 0.025 0.000 1.075 32 W CA -0.568 56.795 57.345 0.030 0.000 1.233 32 W CB 0.636 30.110 29.460 0.024 0.000 1.358 32 W HN -0.125 nan 8.180 nan 0.000 0.574 33 T N -3.015 111.697 114.554 0.262 0.000 2.915 33 T HA -0.209 4.141 4.350 -0.001 0.000 0.269 33 T C 1.684 176.464 174.700 0.134 0.000 1.071 33 T CA 1.595 63.783 62.100 0.147 0.000 1.132 33 T CB -0.575 68.361 68.868 0.114 0.000 0.878 33 T HN 0.440 nan 8.240 nan 0.000 0.479 34 S N 1.233 117.036 115.700 0.171 0.000 2.489 34 S HA 0.048 4.517 4.470 -0.001 0.000 0.228 34 S C 0.999 175.680 174.600 0.135 0.000 0.995 34 S CA -0.085 58.189 58.200 0.123 0.000 0.934 34 S CB -0.468 62.788 63.200 0.093 0.000 0.771 34 S HN 0.513 nan 8.310 nan 0.000 0.522 35 R N 0.329 120.945 120.500 0.193 0.000 3.651 35 R HA -0.114 4.226 4.340 -0.001 0.000 0.292 35 R C 0.284 176.708 176.300 0.206 0.000 1.161 35 R CA 0.766 56.968 56.100 0.169 0.000 0.787 35 R CB -3.074 27.279 30.300 0.089 0.000 1.249 35 R HN 0.725 nan 8.270 nan 0.000 0.476 36 A N 0.181 123.171 122.820 0.284 0.000 2.498 36 A HA 0.302 4.621 4.320 -0.001 0.000 0.239 36 A C 1.640 179.367 177.584 0.240 0.000 1.068 36 A CA 0.257 52.408 52.037 0.190 0.000 0.766 36 A CB 0.616 19.655 19.000 0.065 0.000 1.003 36 A HN 0.082 nan 8.150 nan 0.000 0.497 37 V N 2.499 122.500 119.914 0.145 0.000 2.951 37 V HA -0.042 4.078 4.120 -0.001 0.000 0.255 37 V C 0.530 176.706 176.094 0.137 0.000 1.088 37 V CA 1.125 63.508 62.300 0.139 0.000 1.109 37 V CB -0.021 31.857 31.823 0.091 0.000 0.724 37 V HN 0.559 nan 8.190 nan 0.000 0.471 38 V N 1.291 121.272 119.914 0.113 0.000 2.448 38 V HA 0.386 4.505 4.120 -0.001 0.000 0.295 38 V C -2.443 173.688 176.094 0.062 0.000 1.025 38 V CA -2.021 60.343 62.300 0.107 0.000 0.859 38 V CB 1.524 33.408 31.823 0.101 0.000 0.988 38 V HN 0.241 nan 8.190 nan 0.000 0.431 39 P HA 0.186 nan 4.420 nan 0.000 0.265 39 P C -2.546 174.521 177.300 -0.387 0.000 1.193 39 P CA -0.641 62.356 63.100 -0.172 0.000 0.765 39 P CB -0.125 31.658 31.700 0.138 0.000 0.823 40 P HA 0.145 nan 4.420 nan 0.000 0.272 40 P C -0.296 176.762 177.300 -0.404 0.000 1.230 40 P CA 0.073 62.846 63.100 -0.544 0.000 0.788 40 P CB 0.409 31.749 31.700 -0.600 0.000 0.949 41 I N 0.980 121.336 120.570 -0.357 0.000 2.301 41 I HA 0.115 4.285 4.170 -0.001 0.000 0.292 41 I C 0.610 176.590 176.117 -0.229 0.000 1.046 41 I CA -0.016 61.118 61.300 -0.276 0.000 1.282 41 I CB 0.510 38.305 38.000 -0.341 0.000 1.409 41 I HN 0.229 nan 8.210 nan 0.000 0.484 42 S N 7.218 122.806 115.700 -0.188 0.000 2.423 42 S HA 0.392 4.861 4.470 -0.001 0.000 0.317 42 S C 0.892 175.411 174.600 -0.135 0.000 1.065 42 S CA -0.715 57.392 58.200 -0.156 0.000 1.111 42 S CB 0.563 63.688 63.200 -0.126 0.000 0.968 42 S HN 0.622 nan 8.310 nan 0.000 0.474 43 L N 3.444 124.579 121.223 -0.147 0.000 2.341 43 L HA 0.129 4.468 4.340 -0.001 0.000 0.214 43 L C 1.612 178.370 176.870 -0.187 0.000 1.115 43 L CA 0.053 54.806 54.840 -0.144 0.000 0.820 43 L CB -0.484 41.496 42.059 -0.132 0.000 0.944 43 L HN 0.640 nan 8.230 nan 0.000 0.452 44 S N -0.095 115.465 115.700 -0.233 0.000 2.715 44 S HA -0.153 4.316 4.470 -0.001 0.000 0.318 44 S C 1.367 175.675 174.600 -0.486 0.000 1.242 44 S CA 0.277 58.255 58.200 -0.369 0.000 1.044 44 S CB 0.676 63.585 63.200 -0.486 0.000 0.760 44 S HN 0.201 nan 8.310 nan 0.000 0.501 45 T N 3.594 117.890 114.554 -0.430 0.000 3.014 45 T HA 0.125 4.474 4.350 -0.001 0.000 0.263 45 T C 0.695 175.093 174.700 -0.502 0.000 1.078 45 T CA 1.324 63.171 62.100 -0.421 0.000 1.135 45 T CB -0.041 68.665 68.868 -0.270 0.000 0.895 45 T HN 0.885 nan 8.240 nan 0.000 0.480 46 T N -0.654 113.547 114.554 -0.588 0.000 2.804 46 T HA 0.731 5.080 4.350 -0.001 0.000 0.290 46 T C -1.402 172.763 174.700 -0.892 0.000 1.099 46 T CA -0.872 60.946 62.100 -0.470 0.000 1.011 46 T CB 1.558 70.404 68.868 -0.037 0.000 1.291 46 T HN -0.006 nan 8.240 nan 0.000 0.523 47 F N -0.124 119.872 119.950 0.077 0.000 2.601 47 F HA 0.590 5.116 4.527 -0.001 0.000 0.309 47 F C 0.013 175.860 175.800 0.078 0.000 1.089 47 F CA -1.295 56.753 58.000 0.080 0.000 0.940 47 F CB 2.080 41.158 39.000 0.131 0.000 1.273 47 F HN 0.687 nan 8.300 nan 0.000 0.450 48 K N 2.033 122.571 120.400 0.229 0.000 2.326 48 K HA 0.285 4.604 4.320 -0.001 0.000 0.275 48 K C -0.917 175.776 176.600 0.156 0.000 1.018 48 K CA -0.185 56.191 56.287 0.147 0.000 0.962 48 K CB 0.689 33.252 32.500 0.103 0.000 0.953 48 K HN 0.788 nan 8.250 nan 0.000 0.475 49 Q N 2.163 122.032 119.800 0.114 0.000 2.316 49 Q HA 0.203 4.542 4.340 -0.001 0.000 0.264 49 Q C 0.932 176.970 176.000 0.062 0.000 0.987 49 Q CA -0.515 55.342 55.803 0.090 0.000 0.852 49 Q CB 1.948 30.736 28.738 0.083 0.000 1.287 49 Q HN 1.010 nan 8.270 nan 0.000 0.448 50 G N 1.801 110.631 108.800 0.051 0.000 2.442 50 G HA2 0.015 3.974 3.960 -0.001 0.000 0.219 50 G HA3 0.015 3.974 3.960 -0.001 0.000 0.219 50 G C 0.273 175.191 174.900 0.030 0.000 1.141 50 G CA 0.947 46.069 45.100 0.037 0.000 0.763 50 G HN 0.639 nan 8.290 nan 0.000 0.554 51 A N -0.905 121.932 122.820 0.029 0.000 2.572 51 A HA 0.704 5.023 4.320 -0.001 0.000 0.295 51 A C -3.018 174.581 177.584 0.025 0.000 1.072 51 A CA -1.235 50.815 52.037 0.023 0.000 0.691 51 A CB 1.134 20.144 19.000 0.016 0.000 1.291 51 A HN -0.011 nan 8.150 nan 0.000 0.404 52 P HA 0.377 nan 4.420 nan 0.000 0.264 52 P C 0.619 177.929 177.300 0.017 0.000 1.193 52 P CA 1.918 65.031 63.100 0.021 0.000 0.763 52 P CB 0.551 32.261 31.700 0.016 0.000 0.810 53 G N 1.832 110.643 108.800 0.018 0.000 2.422 53 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.290 53 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.290 53 G C -0.375 174.531 174.900 0.009 0.000 1.059 53 G CA -0.512 44.596 45.100 0.013 0.000 1.242 53 G HN 0.566 nan 8.290 nan 0.000 0.520 54 Q N -1.259 118.547 119.800 0.010 0.000 2.226 54 Q HA 0.647 4.986 4.340 -0.001 0.000 0.256 54 Q C 1.676 177.670 176.000 -0.010 0.000 0.962 54 Q CA -0.068 55.735 55.803 0.001 0.000 0.887 54 Q CB 0.890 29.630 28.738 0.003 0.000 1.282 54 Q HN 0.969 nan 8.270 nan 0.000 0.449 55 H N 0.615 119.673 119.070 -0.019 0.000 2.307 55 H HA -0.007 4.549 4.556 -0.001 0.000 0.303 55 H C 1.168 176.461 175.328 -0.058 0.000 1.073 55 H CA 1.078 57.106 56.048 -0.033 0.000 1.338 55 H CB -0.308 29.435 29.762 -0.031 0.000 1.389 55 H HN 0.647 nan 8.280 nan 0.000 0.503 56 S N -0.000 115.663 115.700 -0.060 0.000 2.576 56 S HA 0.474 4.943 4.470 -0.001 0.000 0.276 56 S C 1.090 175.613 174.600 -0.129 0.000 1.339 56 S CA 0.178 58.322 58.200 -0.094 0.000 1.039 56 S CB 0.414 63.574 63.200 -0.068 0.000 0.902 56 S HN 2.180 nan 8.310 nan 0.000 0.516 57 G N 1.112 109.769 108.800 -0.237 0.000 2.860 57 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.553 57 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.553 57 G C -0.563 174.085 174.900 -0.420 0.000 1.439 57 G CA -0.570 44.325 45.100 -0.341 0.000 0.879 57 G HN 0.795 nan 8.290 nan 0.000 0.545 58 F N 1.015 120.766 119.950 -0.332 0.000 2.506 58 F HA 0.420 4.946 4.527 -0.001 0.000 0.351 58 F C 1.881 177.496 175.800 -0.308 0.000 1.136 58 F CA 0.781 58.458 58.000 -0.538 0.000 1.298 58 F CB 0.821 39.013 39.000 -1.346 0.000 1.145 58 F HN 0.705 nan 8.300 nan 0.000 0.593 59 E N 0.491 120.771 120.200 0.134 0.000 2.441 59 E HA 0.091 4.440 4.350 -0.001 0.000 0.207 59 E C -0.927 176.031 176.600 0.597 0.000 0.803 59 E CA -0.028 56.578 56.400 0.344 0.000 1.240 59 E CB 0.658 30.476 29.700 0.197 0.000 1.233 59 E HN 0.515 nan 8.360 nan 0.000 0.590 60 Y N 0.989 121.507 120.300 0.365 0.000 2.362 60 Y HA 0.239 4.788 4.550 -0.001 0.000 0.326 60 Y C 0.941 177.032 175.900 0.319 0.000 1.083 60 Y CA -0.823 57.468 58.100 0.318 0.000 1.073 60 Y CB 2.115 40.665 38.460 0.149 0.000 1.211 60 Y HN -0.056 nan 8.280 nan 0.000 0.433 61 S N 3.846 119.483 115.700 -0.106 0.000 2.399 61 S HA -0.282 4.188 4.470 -0.001 0.000 0.235 61 S C 2.118 176.665 174.600 -0.089 0.000 1.063 61 S CA 2.473 60.627 58.200 -0.077 0.000 1.070 61 S CB -0.197 62.845 63.200 -0.264 0.000 0.904 61 S HN 0.859 nan 8.310 nan 0.000 0.456 62 R N -0.166 120.219 120.500 -0.191 0.000 2.193 62 R HA -0.018 4.322 4.340 -0.001 0.000 0.229 62 R C 1.930 178.276 176.300 0.076 0.000 1.110 62 R CA 1.576 57.682 56.100 0.010 0.000 0.988 62 R CB -0.204 30.203 30.300 0.178 0.000 0.871 62 R HN 0.452 nan 8.270 nan 0.000 0.458 63 S N -2.260 113.523 115.700 0.138 0.000 2.483 63 S HA 0.184 4.653 4.470 -0.001 0.000 0.221 63 S C 1.142 175.793 174.600 0.085 0.000 1.030 63 S CA 0.575 58.843 58.200 0.113 0.000 0.925 63 S CB 1.457 64.748 63.200 0.152 0.000 0.795 63 S HN 0.606 nan 8.310 nan 0.000 0.511 64 G N 1.341 110.219 108.800 0.130 0.000 4.320 64 G HA2 0.105 4.064 3.960 -0.001 0.000 0.150 64 G HA3 0.105 4.064 3.960 -0.001 0.000 0.150 64 G C -0.354 174.667 174.900 0.202 0.000 0.889 64 G CA -0.130 45.077 45.100 0.179 0.000 0.877 64 G HN 0.465 nan 8.290 nan 0.000 0.425 65 N N -0.108 118.672 118.700 0.134 0.000 2.636 65 N HA 0.274 5.013 4.740 -0.001 0.000 0.261 65 N C -2.932 172.382 175.510 -0.327 0.000 1.195 65 N CA -1.097 51.818 53.050 -0.226 0.000 0.902 65 N CB 2.476 40.932 38.487 -0.053 0.000 1.627 65 N HN -0.202 nan 8.380 nan 0.000 0.491 66 P HA -0.072 nan 4.420 nan 0.000 0.216 66 P C 1.109 178.427 177.300 0.031 0.000 1.153 66 P CA 1.925 64.864 63.100 -0.269 0.000 0.858 66 P CB 0.149 31.711 31.700 -0.230 0.000 0.789 67 T N -1.382 113.154 114.554 -0.031 0.000 2.937 67 T HA -0.023 4.326 4.350 -0.001 0.000 0.260 67 T C 1.884 176.611 174.700 0.045 0.000 1.051 67 T CA 0.651 62.764 62.100 0.021 0.000 1.141 67 T CB -0.327 68.534 68.868 -0.012 0.000 0.879 67 T HN 0.086 nan 8.240 nan 0.000 0.459 68 R N 1.352 121.865 120.500 0.022 0.000 2.075 68 R HA -0.080 4.259 4.340 -0.001 0.000 0.232 68 R C 1.950 178.283 176.300 0.054 0.000 1.126 68 R CA 1.566 57.681 56.100 0.024 0.000 0.963 68 R CB -0.167 30.133 30.300 -0.000 0.000 0.858 68 R HN 0.251 nan 8.270 nan 0.000 0.435 69 N N -0.002 118.755 118.700 0.095 0.000 2.223 69 N HA -0.147 4.592 4.740 -0.001 0.000 0.185 69 N C 1.696 177.280 175.510 0.123 0.000 1.016 69 N CA 1.442 54.572 53.050 0.134 0.000 0.863 69 N CB -0.516 38.108 38.487 0.228 0.000 0.983 69 N HN 0.246 nan 8.380 nan 0.000 0.429 70 C N 0.109 119.493 119.300 0.141 0.000 2.432 70 C HA 0.004 4.463 4.460 -0.001 0.000 0.277 70 C C 2.648 177.679 174.990 0.069 0.000 1.249 70 C CA 0.101 59.196 59.018 0.128 0.000 1.725 70 C CB -1.189 26.660 27.740 0.181 0.000 2.028 70 C HN 0.467 nan 8.230 nan 0.000 0.477 71 L N 1.522 122.776 121.223 0.053 0.000 2.017 71 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 71 L C 2.377 179.258 176.870 0.018 0.000 1.073 71 L CA 2.009 56.859 54.840 0.017 0.000 0.745 71 L CB -0.959 41.106 42.059 0.009 0.000 0.894 71 L HN 0.362 nan 8.230 nan 0.000 0.432 72 E N -0.449 119.774 120.200 0.038 0.000 2.118 72 E HA -0.257 4.093 4.350 -0.001 0.000 0.195 72 E C 2.166 178.794 176.600 0.046 0.000 0.992 72 E CA 1.508 57.938 56.400 0.051 0.000 0.804 72 E CB -0.094 29.646 29.700 0.067 0.000 0.741 72 E HN 0.505 nan 8.360 nan 0.000 0.458 73 K N 0.060 120.485 120.400 0.042 0.000 2.057 73 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 73 K C 2.169 178.761 176.600 -0.014 0.000 1.050 73 K CA 0.914 57.214 56.287 0.021 0.000 0.935 73 K CB -0.063 32.454 32.500 0.028 0.000 0.715 73 K HN 0.046 nan 8.250 nan 0.000 0.439 74 A N 1.081 123.888 122.820 -0.020 0.000 1.855 74 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 74 A C 2.368 179.901 177.584 -0.085 0.000 1.191 74 A CA 1.426 53.426 52.037 -0.061 0.000 0.613 74 A CB -0.748 18.214 19.000 -0.063 0.000 0.829 74 A HN 0.055 nan 8.150 nan 0.000 0.442 75 V N 0.169 120.048 119.914 -0.058 0.000 2.287 75 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 75 V C 3.076 179.151 176.094 -0.032 0.000 1.053 75 V CA 2.021 64.286 62.300 -0.060 0.000 1.027 75 V CB -1.485 30.317 31.823 -0.035 0.000 0.646 75 V HN 0.635 nan 8.190 nan 0.000 0.447 76 A N 0.204 123.020 122.820 -0.007 0.000 1.903 76 A HA -0.285 4.035 4.320 -0.001 0.000 0.219 76 A C 2.423 179.973 177.584 -0.058 0.000 1.191 76 A CA 2.780 54.808 52.037 -0.015 0.000 0.638 76 A CB -0.935 18.048 19.000 -0.028 0.000 0.823 76 A HN 0.650 nan 8.150 nan 0.000 0.451 77 A N -0.633 122.137 122.820 -0.083 0.000 1.930 77 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 77 A C 2.135 179.635 177.584 -0.140 0.000 1.175 77 A CA 1.430 53.402 52.037 -0.108 0.000 0.627 77 A CB -0.521 18.411 19.000 -0.114 0.000 0.815 77 A HN 0.498 nan 8.150 nan 0.000 0.443 78 L N -0.778 120.334 121.223 -0.185 0.000 2.217 78 L HA -0.088 4.251 4.340 -0.001 0.000 0.211 78 L C 1.492 178.357 176.870 -0.008 0.000 1.107 78 L CA 1.001 55.696 54.840 -0.241 0.000 0.783 78 L CB -0.482 41.366 42.059 -0.353 0.000 0.919 78 L HN 0.312 nan 8.230 nan 0.000 0.442 79 D N 0.405 120.808 120.400 0.004 0.000 2.349 79 D HA 0.002 4.641 4.640 -0.001 0.000 0.224 79 D C 1.458 177.731 176.300 -0.046 0.000 1.029 79 D CA 0.951 54.978 54.000 0.045 0.000 0.879 79 D CB 0.335 41.209 40.800 0.125 0.000 0.906 79 D HN 0.406 nan 8.370 nan 0.000 0.528 80 G N 0.988 109.738 108.800 -0.084 0.000 2.225 80 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.267 80 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.267 80 G C 0.410 175.259 174.900 -0.085 0.000 1.024 80 G CA 0.544 45.582 45.100 -0.103 0.000 0.784 80 G HN 0.571 nan 8.290 nan 0.000 0.507 81 A N -1.168 121.609 122.820 -0.072 0.000 2.282 81 A HA 0.878 5.198 4.320 -0.001 0.000 0.324 81 A C 1.132 178.613 177.584 -0.172 0.000 1.119 81 A CA 0.171 52.157 52.037 -0.085 0.000 0.880 81 A CB 0.820 19.809 19.000 -0.018 0.000 1.294 81 A HN 0.162 nan 8.150 nan 0.000 0.493 82 K N -1.236 118.983 120.400 -0.300 0.000 2.284 82 K HA 0.149 4.469 4.320 -0.001 0.000 0.198 82 K C -0.946 175.161 176.600 -0.823 0.000 1.048 82 K CA 1.003 56.908 56.287 -0.636 0.000 0.987 82 K CB 0.113 32.039 32.500 -0.956 0.000 0.800 82 K HN 0.649 nan 8.250 nan 0.000 0.486 83 Y N -1.427 118.807 120.300 -0.110 0.000 2.534 83 Y HA 0.322 4.872 4.550 -0.001 0.000 0.345 83 Y C -0.518 175.384 175.900 0.004 0.000 1.031 83 Y CA -1.334 56.687 58.100 -0.131 0.000 1.022 83 Y CB 1.771 39.993 38.460 -0.396 0.000 1.292 83 Y HN -0.157 nan 8.280 nan 0.000 0.459 84 C N 2.793 122.224 119.300 0.218 0.000 2.889 84 C HA 0.910 5.369 4.460 -0.001 0.000 0.307 84 C C -1.729 173.377 174.990 0.193 0.000 1.251 84 C CA -0.756 58.382 59.018 0.201 0.000 1.593 84 C CB 0.761 28.583 27.740 0.135 0.000 2.104 84 C HN 0.733 nan 8.230 nan 0.000 0.476 85 L N 3.558 124.891 121.223 0.183 0.000 2.436 85 L HA 0.747 5.087 4.340 -0.001 0.000 0.268 85 L C 0.166 176.988 176.870 -0.080 0.000 0.974 85 L CA -0.148 54.702 54.840 0.016 0.000 0.826 85 L CB 1.446 43.526 42.059 0.034 0.000 1.291 85 L HN 0.849 nan 8.230 nan 0.000 0.406 86 A N 2.325 124.978 122.820 -0.277 0.000 2.303 86 A HA 0.947 5.267 4.320 -0.001 0.000 0.317 86 A C -1.074 176.231 177.584 -0.466 0.000 1.149 86 A CA -0.168 51.763 52.037 -0.176 0.000 0.822 86 A CB 0.528 19.484 19.000 -0.073 0.000 1.131 86 A HN 0.492 nan 8.150 nan 0.000 0.493 87 F N -0.617 119.368 119.950 0.059 0.000 2.664 87 F HA 0.560 5.086 4.527 -0.001 0.000 0.317 87 F C 1.276 177.092 175.800 0.028 0.000 1.108 87 F CA -0.053 57.970 58.000 0.039 0.000 0.957 87 F CB 1.737 40.761 39.000 0.040 0.000 1.365 87 F HN 0.609 nan 8.300 nan 0.000 0.475 88 A N 0.208 123.163 122.820 0.225 0.000 1.972 88 A HA 0.140 4.460 4.320 -0.001 0.000 0.219 88 A C 0.686 178.329 177.584 0.099 0.000 1.169 88 A CA 1.840 53.946 52.037 0.115 0.000 0.635 88 A CB -0.647 18.400 19.000 0.078 0.000 0.810 88 A HN 0.752 nan 8.150 nan 0.000 0.446 89 S N -4.732 111.035 115.700 0.111 0.000 2.656 89 S HA 0.563 5.033 4.470 -0.001 0.000 0.273 89 S C 1.008 175.654 174.600 0.076 0.000 1.168 89 S CA -0.012 58.231 58.200 0.071 0.000 0.817 89 S CB 0.894 64.112 63.200 0.030 0.000 1.146 89 S HN 0.657 nan 8.310 nan 0.000 0.475 90 G N 0.435 109.268 108.800 0.055 0.000 2.421 90 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.216 90 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.216 90 G C 1.178 176.079 174.900 0.002 0.000 1.171 90 G CA 0.790 45.923 45.100 0.056 0.000 0.775 90 G HN 0.624 nan 8.290 nan 0.000 0.543 91 L N 0.710 121.918 121.223 -0.026 0.000 2.013 91 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 91 L C 3.382 180.123 176.870 -0.214 0.000 1.073 91 L CA 1.317 56.087 54.840 -0.116 0.000 0.753 91 L CB -0.340 41.670 42.059 -0.082 0.000 0.890 91 L HN 0.341 nan 8.230 nan 0.000 0.432 92 A N -0.628 122.104 122.820 -0.146 0.000 2.015 92 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 92 A C 2.449 179.830 177.584 -0.338 0.000 1.163 92 A CA 1.384 53.309 52.037 -0.186 0.000 0.646 92 A CB -0.506 18.464 19.000 -0.050 0.000 0.806 92 A HN 0.438 nan 8.150 nan 0.000 0.448 93 A N -0.890 121.733 122.820 -0.328 0.000 1.930 93 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 93 A C 2.266 179.658 177.584 -0.321 0.000 1.175 93 A CA 2.142 53.821 52.037 -0.595 0.000 0.627 93 A CB -0.993 17.875 19.000 -0.221 0.000 0.815 93 A HN 0.406 nan 8.150 nan 0.000 0.443 94 T N -0.303 114.149 114.554 -0.171 0.000 2.770 94 T HA -0.090 4.260 4.350 -0.001 0.000 0.263 94 T C 1.919 176.486 174.700 -0.222 0.000 1.039 94 T CA 1.513 63.526 62.100 -0.145 0.000 1.142 94 T CB -0.428 68.175 68.868 -0.442 0.000 0.868 94 T HN 0.160 nan 8.240 nan 0.000 0.435 95 V N 1.937 121.588 119.914 -0.440 0.000 2.287 95 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 95 V C 2.793 178.878 176.094 -0.014 0.000 1.053 95 V CA 2.174 64.252 62.300 -0.370 0.000 1.027 95 V CB -1.387 30.158 31.823 -0.463 0.000 0.646 95 V HN 0.532 nan 8.190 nan 0.000 0.447 96 T N 0.115 114.568 114.554 -0.168 0.000 2.720 96 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 96 T C 1.841 176.579 174.700 0.063 0.000 1.037 96 T CA 1.804 63.842 62.100 -0.103 0.000 1.144 96 T CB -0.305 68.381 68.868 -0.303 0.000 0.864 96 T HN 0.342 nan 8.240 nan 0.000 0.444 97 I N 1.362 121.967 120.570 0.058 0.000 2.252 97 I HA -0.169 4.001 4.170 -0.001 0.000 0.245 97 I C 2.970 179.238 176.117 0.252 0.000 1.102 97 I CA 1.523 62.935 61.300 0.187 0.000 1.385 97 I CB -0.404 37.778 38.000 0.304 0.000 1.064 97 I HN 0.354 nan 8.210 nan 0.000 0.414 98 T N -2.145 112.585 114.554 0.294 0.000 2.995 98 T HA -0.200 4.149 4.350 -0.001 0.000 0.269 98 T C 1.624 176.433 174.700 0.182 0.000 1.091 98 T CA 1.166 63.441 62.100 0.291 0.000 1.128 98 T CB -0.483 68.647 68.868 0.435 0.000 0.891 98 T HN 0.356 nan 8.240 nan 0.000 0.492 99 H N 0.002 119.146 119.070 0.123 0.000 2.561 99 H HA 0.226 4.782 4.556 -0.001 0.000 0.278 99 H C 1.544 176.929 175.328 0.095 0.000 1.014 99 H CA 0.400 56.500 56.048 0.087 0.000 1.211 99 H CB -0.218 29.580 29.762 0.060 0.000 1.365 99 H HN 0.218 nan 8.280 nan 0.000 0.594 100 L N -0.024 121.312 121.223 0.189 0.000 2.456 100 L HA -0.004 4.335 4.340 -0.001 0.000 0.224 100 L C 0.494 177.421 176.870 0.096 0.000 1.148 100 L CA 1.139 56.066 54.840 0.144 0.000 0.825 100 L CB -0.348 41.798 42.059 0.145 0.000 0.937 100 L HN 0.185 nan 8.230 nan 0.000 0.450 101 L N -1.512 119.754 121.223 0.072 0.000 2.422 101 L HA 0.459 4.798 4.340 -0.001 0.000 0.263 101 L C -0.120 176.760 176.870 0.017 0.000 1.110 101 L CA -0.979 53.885 54.840 0.040 0.000 1.065 101 L CB 0.934 43.014 42.059 0.035 0.000 1.701 101 L HN -0.127 nan 8.230 nan 0.000 0.548 102 K N -0.483 119.922 120.400 0.008 0.000 2.499 102 K HA 0.770 5.089 4.320 -0.001 0.000 0.277 102 K C -1.244 175.360 176.600 0.007 0.000 1.025 102 K CA -0.922 55.369 56.287 0.006 0.000 0.900 102 K CB 1.716 34.223 32.500 0.012 0.000 1.494 102 K HN 0.470 nan 8.250 nan 0.000 0.442 103 A N -0.019 122.812 122.820 0.018 0.000 2.483 103 A HA 0.462 4.782 4.320 -0.001 0.000 0.238 103 A C 1.229 178.819 177.584 0.009 0.000 1.070 103 A CA 0.941 52.992 52.037 0.023 0.000 0.770 103 A CB -1.003 18.020 19.000 0.038 0.000 1.008 103 A HN 1.474 nan 8.150 nan 0.000 0.497 104 G N 1.354 110.155 108.800 0.001 0.000 2.199 104 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.254 104 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.254 104 G C -0.054 174.838 174.900 -0.013 0.000 0.982 104 G CA 0.393 45.489 45.100 -0.007 0.000 0.632 104 G HN 0.823 nan 8.290 nan 0.000 0.529 105 D N 0.397 120.788 120.400 -0.014 0.000 2.283 105 D HA 0.525 5.164 4.640 -0.001 0.000 0.248 105 D C 0.517 176.790 176.300 -0.044 0.000 1.072 105 D CA 0.053 54.040 54.000 -0.022 0.000 0.929 105 D CB 1.252 42.044 40.800 -0.013 0.000 1.182 105 D HN 0.570 nan 8.370 nan 0.000 0.433 106 Q N 1.509 121.276 119.800 -0.054 0.000 2.337 106 Q HA 0.468 4.807 4.340 -0.001 0.000 0.266 106 Q C -1.240 174.689 176.000 -0.119 0.000 1.023 106 Q CA -0.846 54.903 55.803 -0.089 0.000 0.829 106 Q CB 1.644 30.334 28.738 -0.079 0.000 1.306 106 Q HN 0.466 nan 8.270 nan 0.000 0.449 107 I N 4.628 125.076 120.570 -0.203 0.000 2.404 107 I HA 0.457 4.626 4.170 -0.001 0.000 0.293 107 I C -1.475 174.439 176.117 -0.338 0.000 0.992 107 I CA -0.911 60.225 61.300 -0.274 0.000 1.149 107 I CB 1.188 38.949 38.000 -0.399 0.000 1.315 107 I HN 0.832 nan 8.210 nan 0.000 0.446 108 I N 7.279 127.704 120.570 -0.242 0.000 2.331 108 I HA 0.303 4.473 4.170 -0.001 0.000 0.292 108 I C -0.332 175.656 176.117 -0.214 0.000 0.998 108 I CA -0.358 60.806 61.300 -0.226 0.000 1.267 108 I CB 1.518 39.450 38.000 -0.114 0.000 1.386 108 I HN 0.595 nan 8.210 nan 0.000 0.476 109 C N 7.975 127.094 119.300 -0.302 0.000 2.408 109 C HA 0.556 5.015 4.460 -0.001 0.000 0.321 109 C C 0.332 175.370 174.990 0.081 0.000 1.245 109 C CA -0.882 58.051 59.018 -0.140 0.000 1.523 109 C CB 1.076 28.542 27.740 -0.458 0.000 2.178 109 C HN 0.820 nan 8.230 nan 0.000 0.488 110 M N 3.768 123.507 119.600 0.232 0.000 2.224 110 M HA 0.097 4.576 4.480 -0.001 0.000 0.297 110 M C 0.894 177.395 176.300 0.336 0.000 1.047 110 M CA 1.157 56.600 55.300 0.239 0.000 1.125 110 M CB 0.240 32.981 32.600 0.234 0.000 1.413 110 M HN 0.799 nan 8.290 nan 0.000 0.431 111 D N -0.012 120.542 120.400 0.257 0.000 2.338 111 D HA 0.026 4.665 4.640 -0.001 0.000 0.224 111 D C -0.564 175.832 176.300 0.159 0.000 0.967 111 D CA 0.834 54.979 54.000 0.243 0.000 0.896 111 D CB 0.142 41.032 40.800 0.151 0.000 1.028 111 D HN 0.713 nan 8.370 nan 0.000 0.493 112 D N 0.767 121.248 120.400 0.136 0.000 2.428 112 D HA 0.264 4.903 4.640 -0.001 0.000 0.221 112 D C -0.938 175.462 176.300 0.166 0.000 1.123 112 D CA -0.280 53.786 54.000 0.111 0.000 0.869 112 D CB 0.615 41.455 40.800 0.067 0.000 1.032 112 D HN -0.244 nan 8.370 nan 0.000 0.506 113 V N 4.309 124.352 119.914 0.216 0.000 3.074 113 V HA 0.323 4.443 4.120 -0.001 0.000 0.314 113 V C -0.862 175.403 176.094 0.285 0.000 1.117 113 V CA -1.141 61.322 62.300 0.272 0.000 1.014 113 V CB 1.823 33.856 31.823 0.350 0.000 1.057 113 V HN 0.514 nan 8.190 nan 0.000 0.438 114 Y N 2.714 123.110 120.300 0.159 0.000 2.810 114 Y HA 0.184 4.733 4.550 -0.001 0.000 0.332 114 Y C 1.285 177.158 175.900 -0.045 0.000 1.243 114 Y CA 0.824 58.970 58.100 0.078 0.000 1.537 114 Y CB 0.962 39.456 38.460 0.058 0.000 1.265 114 Y HN 0.792 nan 8.280 nan 0.000 0.572 115 G N 4.527 112.708 108.800 -1.031 0.000 2.624 115 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.221 115 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.221 115 G C 1.605 176.069 174.900 -0.726 0.000 1.169 115 G CA 1.030 45.619 45.100 -0.851 0.000 0.771 115 G HN 1.046 nan 8.290 nan 0.000 0.598 116 G N -0.327 107.768 108.800 -1.174 0.000 2.440 116 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 116 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 116 G C 1.915 176.686 174.900 -0.214 0.000 1.154 116 G CA 2.162 46.974 45.100 -0.480 0.000 0.767 116 G HN 0.638 nan 8.290 nan 0.000 0.552 117 T N 0.213 114.681 114.554 -0.143 0.000 2.777 117 T HA -0.183 4.166 4.350 -0.001 0.000 0.266 117 T C 2.218 176.811 174.700 -0.179 0.000 1.040 117 T CA 1.764 63.718 62.100 -0.243 0.000 1.141 117 T CB -0.486 68.214 68.868 -0.280 0.000 0.868 117 T HN 0.263 nan 8.240 nan 0.000 0.444 118 N N 1.369 120.066 118.700 -0.006 0.000 2.021 118 N HA -0.202 4.538 4.740 -0.001 0.000 0.198 118 N C 2.231 177.800 175.510 0.099 0.000 1.041 118 N CA 2.035 55.165 53.050 0.133 0.000 0.862 118 N CB -0.524 37.946 38.487 -0.028 0.000 1.048 118 N HN 0.558 nan 8.380 nan 0.000 0.427 119 R N -0.815 119.670 120.500 -0.026 0.000 2.081 119 R HA -0.200 4.139 4.340 -0.001 0.000 0.235 119 R C 2.398 178.721 176.300 0.037 0.000 1.131 119 R CA 1.541 57.637 56.100 -0.006 0.000 0.960 119 R CB -0.572 29.699 30.300 -0.049 0.000 0.856 119 R HN 0.418 nan 8.270 nan 0.000 0.436 120 Y N 0.288 120.520 120.300 -0.114 0.000 2.200 120 Y HA -0.191 4.359 4.550 -0.001 0.000 0.290 120 Y C 1.651 177.551 175.900 -0.001 0.000 1.137 120 Y CA 1.402 59.431 58.100 -0.117 0.000 1.163 120 Y CB -0.441 37.861 38.460 -0.262 0.000 0.988 120 Y HN -0.023 nan 8.280 nan 0.000 0.518 121 F N 0.592 120.375 119.950 -0.278 0.000 2.102 121 F HA -0.086 4.440 4.527 -0.001 0.000 0.298 121 F C 2.789 178.484 175.800 -0.175 0.000 1.105 121 F CA 1.723 59.523 58.000 -0.334 0.000 1.239 121 F CB -1.015 37.875 39.000 -0.185 0.000 0.991 121 F HN 0.020 nan 8.300 nan 0.000 0.474 122 R N -0.135 120.487 120.500 0.203 0.000 2.057 122 R HA -0.101 4.238 4.340 -0.001 0.000 0.229 122 R C 1.954 178.280 176.300 0.043 0.000 1.136 122 R CA 1.484 57.684 56.100 0.167 0.000 0.952 122 R CB -0.142 30.263 30.300 0.176 0.000 0.848 122 R HN 0.316 nan 8.270 nan 0.000 0.430 123 Q N -1.084 118.724 119.800 0.013 0.000 2.352 123 Q HA 0.073 4.412 4.340 -0.001 0.000 0.212 123 Q C 1.383 177.378 176.000 -0.009 0.000 0.888 123 Q CA 0.224 56.026 55.803 -0.002 0.000 0.934 123 Q CB 1.351 30.095 28.738 0.010 0.000 1.093 123 Q HN 0.179 nan 8.270 nan 0.000 0.523 124 V N -0.758 119.131 119.914 -0.041 0.000 2.950 124 V HA 0.118 4.237 4.120 -0.001 0.000 0.231 124 V C 1.944 178.039 176.094 0.002 0.000 1.205 124 V CA 1.064 63.380 62.300 0.027 0.000 1.239 124 V CB -0.507 31.427 31.823 0.185 0.000 1.050 124 V HN 0.199 nan 8.190 nan 0.000 0.498 125 A N 1.419 124.050 122.820 -0.316 0.000 1.940 125 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 125 A C 2.458 180.033 177.584 -0.015 0.000 1.176 125 A CA 2.601 54.529 52.037 -0.182 0.000 0.631 125 A CB -0.838 17.933 19.000 -0.382 0.000 0.814 125 A HN 0.724 nan 8.150 nan 0.000 0.446 126 S N -0.148 115.512 115.700 -0.066 0.000 2.442 126 S HA -0.132 4.337 4.470 -0.001 0.000 0.236 126 S C 1.283 175.827 174.600 -0.092 0.000 1.007 126 S CA 1.248 59.411 58.200 -0.061 0.000 0.965 126 S CB -0.387 62.783 63.200 -0.051 0.000 0.773 126 S HN 0.609 nan 8.310 nan 0.000 0.504 127 E N 0.236 120.340 120.200 -0.161 0.000 2.511 127 E HA 0.080 4.429 4.350 -0.001 0.000 0.196 127 E C -0.366 175.866 176.600 -0.613 0.000 1.066 127 E CA 0.359 56.537 56.400 -0.371 0.000 0.871 127 E CB -0.161 29.260 29.700 -0.464 0.000 0.863 127 E HN 0.746 nan 8.360 nan 0.000 0.520 128 F N 0.083 120.007 119.950 -0.044 0.000 2.908 128 F HA 0.313 4.839 4.527 -0.001 0.000 0.328 128 F C 1.329 177.101 175.800 -0.047 0.000 1.211 128 F CA -0.181 57.795 58.000 -0.040 0.000 1.291 128 F CB 0.977 39.949 39.000 -0.046 0.000 0.962 128 F HN -0.021 nan 8.300 nan 0.000 0.505 129 G N 0.699 109.518 108.800 0.032 0.000 2.155 129 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.257 129 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.257 129 G C 0.044 174.946 174.900 0.004 0.000 0.983 129 G CA -0.200 44.908 45.100 0.014 0.000 0.676 129 G HN 0.340 nan 8.290 nan 0.000 0.528 130 L N 0.045 121.269 121.223 0.001 0.000 2.292 130 L HA 0.563 4.902 4.340 -0.001 0.000 0.284 130 L C 0.557 177.387 176.870 -0.065 0.000 1.065 130 L CA -0.930 53.889 54.840 -0.036 0.000 0.806 130 L CB 1.391 43.425 42.059 -0.042 0.000 1.175 130 L HN 0.077 nan 8.230 nan 0.000 0.431 131 K N 3.930 124.281 120.400 -0.081 0.000 2.227 131 K HA 0.473 4.792 4.320 -0.001 0.000 0.280 131 K C -0.947 175.560 176.600 -0.154 0.000 1.041 131 K CA -0.235 55.997 56.287 -0.092 0.000 0.905 131 K CB 0.604 33.060 32.500 -0.072 0.000 1.068 131 K HN 0.320 nan 8.250 nan 0.000 0.470 132 I N 3.184 123.653 120.570 -0.168 0.000 2.406 132 I HA 0.323 4.492 4.170 -0.001 0.000 0.290 132 I C -0.630 175.331 176.117 -0.259 0.000 0.999 132 I CA -0.618 60.502 61.300 -0.301 0.000 1.124 132 I CB 1.172 38.990 38.000 -0.303 0.000 1.289 132 I HN 0.519 nan 8.210 nan 0.000 0.441 133 S N 6.053 121.543 115.700 -0.351 0.000 2.532 133 S HA 0.682 5.151 4.470 -0.001 0.000 0.299 133 S C -0.719 173.674 174.600 -0.346 0.000 1.105 133 S CA -0.468 57.605 58.200 -0.211 0.000 1.018 133 S CB 1.447 64.576 63.200 -0.117 0.000 1.021 133 S HN 0.273 nan 8.310 nan 0.000 0.483 134 F N 1.840 121.774 119.950 -0.027 0.000 2.415 134 F HA 0.626 5.152 4.527 -0.001 0.000 0.348 134 F C -0.002 175.801 175.800 0.006 0.000 1.119 134 F CA -0.640 57.359 58.000 -0.001 0.000 1.069 134 F CB 1.371 40.379 39.000 0.014 0.000 1.124 134 F HN 0.198 nan 8.300 nan 0.000 0.472 135 V N 1.885 121.895 119.914 0.159 0.000 2.760 135 V HA 0.206 4.325 4.120 -0.001 0.000 0.309 135 V C -0.765 175.390 176.094 0.102 0.000 1.077 135 V CA -1.050 61.307 62.300 0.096 0.000 0.910 135 V CB 2.076 33.923 31.823 0.039 0.000 1.008 135 V HN 0.591 nan 8.190 nan 0.000 0.424 136 D N 2.433 122.881 120.400 0.082 0.000 2.455 136 D HA 0.074 4.714 4.640 -0.001 0.000 0.234 136 D C 0.965 177.300 176.300 0.059 0.000 1.224 136 D CA -0.049 53.996 54.000 0.074 0.000 0.999 136 D CB 0.444 41.278 40.800 0.058 0.000 1.072 136 D HN 0.614 nan 8.370 nan 0.000 0.514 137 C N 2.021 121.359 119.300 0.064 0.000 2.511 137 C HA -0.045 4.414 4.460 -0.001 0.000 0.277 137 C C 2.666 177.680 174.990 0.040 0.000 1.451 137 C CA 0.465 59.510 59.018 0.044 0.000 1.735 137 C CB -1.629 26.137 27.740 0.043 0.000 1.704 137 C HN 0.700 nan 8.230 nan 0.000 0.571 138 S N 1.089 116.818 115.700 0.049 0.000 2.382 138 S HA -0.106 4.364 4.470 -0.001 0.000 0.228 138 S C 0.805 175.426 174.600 0.036 0.000 1.027 138 S CA 1.166 59.394 58.200 0.046 0.000 0.991 138 S CB -0.184 63.048 63.200 0.054 0.000 0.823 138 S HN 0.693 nan 8.310 nan 0.000 0.469 139 K N 1.500 121.919 120.400 0.033 0.000 2.183 139 K HA 0.327 4.647 4.320 -0.001 0.000 0.272 139 K C 0.769 177.381 176.600 0.021 0.000 1.113 139 K CA -0.187 56.115 56.287 0.026 0.000 0.949 139 K CB 0.338 32.853 32.500 0.024 0.000 1.365 139 K HN 0.348 nan 8.250 nan 0.000 0.420 140 I N 1.890 122.471 120.570 0.019 0.000 2.181 140 I HA -0.428 3.741 4.170 -0.001 0.000 0.247 140 I C 1.989 178.111 176.117 0.009 0.000 1.081 140 I CA 1.472 62.780 61.300 0.013 0.000 1.340 140 I CB -0.065 37.944 38.000 0.016 0.000 1.036 140 I HN 0.539 nan 8.210 nan 0.000 0.417 141 K N 0.424 120.831 120.400 0.012 0.000 2.097 141 K HA -0.116 4.203 4.320 -0.001 0.000 0.206 141 K C 2.063 178.668 176.600 0.008 0.000 1.049 141 K CA 1.148 57.440 56.287 0.009 0.000 0.933 141 K CB -0.400 32.107 32.500 0.012 0.000 0.717 141 K HN 0.394 nan 8.250 nan 0.000 0.442 142 L N 0.757 121.986 121.223 0.011 0.000 2.079 142 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 142 L C 2.463 179.338 176.870 0.007 0.000 1.081 142 L CA 0.625 55.472 54.840 0.012 0.000 0.752 142 L CB -0.459 41.612 42.059 0.019 0.000 0.896 142 L HN 0.118 nan 8.230 nan 0.000 0.433 143 L N 0.122 121.348 121.223 0.005 0.000 2.005 143 L HA -0.225 4.114 4.340 -0.001 0.000 0.207 143 L C 2.456 179.319 176.870 -0.012 0.000 1.072 143 L CA 1.898 56.736 54.840 -0.005 0.000 0.744 143 L CB -0.706 41.347 42.059 -0.010 0.000 0.895 143 L HN 0.263 nan 8.230 nan 0.000 0.433 144 E N -0.556 119.638 120.200 -0.011 0.000 2.130 144 E HA -0.268 4.081 4.350 -0.001 0.000 0.196 144 E C 1.986 178.584 176.600 -0.003 0.000 0.998 144 E CA 1.286 57.679 56.400 -0.011 0.000 0.806 144 E CB -0.151 29.544 29.700 -0.009 0.000 0.738 144 E HN 0.640 nan 8.360 nan 0.000 0.459 145 A N 0.862 123.682 122.820 -0.001 0.000 1.930 145 A HA 0.030 4.349 4.320 -0.001 0.000 0.217 145 A C 2.290 179.871 177.584 -0.005 0.000 1.175 145 A CA 1.403 53.439 52.037 -0.001 0.000 0.627 145 A CB -0.447 18.554 19.000 0.002 0.000 0.815 145 A HN 0.382 nan 8.150 nan 0.000 0.443 146 A N -0.660 122.155 122.820 -0.007 0.000 2.167 146 A HA 0.285 4.604 4.320 -0.001 0.000 0.214 146 A C 0.901 178.473 177.584 -0.020 0.000 1.151 146 A CA 0.035 52.064 52.037 -0.013 0.000 0.735 146 A CB -0.413 18.578 19.000 -0.014 0.000 0.802 146 A HN 0.455 nan 8.150 nan 0.000 0.467 147 I N 1.643 122.203 120.570 -0.016 0.000 2.471 147 I HA 0.143 4.312 4.170 -0.001 0.000 0.286 147 I C -0.056 176.054 176.117 -0.013 0.000 1.079 147 I CA 0.146 61.437 61.300 -0.015 0.000 1.398 147 I CB 1.185 39.182 38.000 -0.005 0.000 1.403 147 I HN 0.092 nan 8.210 nan 0.000 0.530 148 T N 6.062 120.606 114.554 -0.017 0.000 2.930 148 T HA 0.290 4.640 4.350 -0.001 0.000 0.290 148 T C -1.878 172.814 174.700 -0.013 0.000 1.052 148 T CA -1.365 60.724 62.100 -0.018 0.000 1.017 148 T CB 1.723 70.577 68.868 -0.023 0.000 1.137 148 T HN 0.285 nan 8.240 nan 0.000 0.511 149 P HA -0.086 nan 4.420 nan 0.000 0.219 149 P C 0.684 177.979 177.300 -0.008 0.000 1.144 149 P CA 1.076 64.170 63.100 -0.010 0.000 0.806 149 P CB 0.148 31.840 31.700 -0.014 0.000 0.771 150 E N -2.328 117.864 120.200 -0.014 0.000 2.474 150 E HA 0.047 4.397 4.350 -0.001 0.000 0.195 150 E C 0.045 176.633 176.600 -0.020 0.000 1.039 150 E CA 0.223 56.614 56.400 -0.016 0.000 0.881 150 E CB -0.419 29.268 29.700 -0.022 0.000 0.970 150 E HN 0.113 nan 8.360 nan 0.000 0.486 151 T N 0.862 115.405 114.554 -0.019 0.000 2.752 151 T HA 0.147 4.497 4.350 -0.001 0.000 0.295 151 T C 0.807 175.502 174.700 -0.009 0.000 0.923 151 T CA -0.022 62.063 62.100 -0.025 0.000 1.112 151 T CB 0.977 69.831 68.868 -0.025 0.000 0.884 151 T HN -0.124 nan 8.240 nan 0.000 0.525 152 K N 1.713 122.106 120.400 -0.011 0.000 2.399 152 K HA 0.410 4.730 4.320 -0.001 0.000 0.196 152 K C -0.341 176.276 176.600 0.027 0.000 1.117 152 K CA -0.013 56.282 56.287 0.012 0.000 0.965 152 K CB 0.491 32.999 32.500 0.015 0.000 0.983 152 K HN 0.415 nan 8.250 nan 0.000 0.531 153 L N 0.381 121.611 121.223 0.011 0.000 2.464 153 L HA 0.518 4.857 4.340 -0.001 0.000 0.266 153 L C -1.694 175.187 176.870 0.018 0.000 0.965 153 L CA -0.801 54.065 54.840 0.044 0.000 0.833 153 L CB 2.219 44.327 42.059 0.083 0.000 1.296 153 L HN -0.256 nan 8.230 nan 0.000 0.405 154 V N 4.292 124.228 119.914 0.037 0.000 2.409 154 V HA 0.413 4.533 4.120 -0.001 0.000 0.291 154 V C -1.115 175.034 176.094 0.092 0.000 1.020 154 V CA -0.468 61.848 62.300 0.027 0.000 0.848 154 V CB 1.781 33.590 31.823 -0.024 0.000 0.990 154 V HN 0.770 nan 8.190 nan 0.000 0.430 155 W N 7.247 128.525 121.300 -0.036 0.000 2.417 155 W HA 0.759 5.419 4.660 -0.001 0.000 0.315 155 W C -1.456 175.099 176.519 0.060 0.000 1.045 155 W CA -0.795 56.581 57.345 0.053 0.000 1.221 155 W CB 1.517 31.074 29.460 0.161 0.000 1.309 155 W HN 0.431 nan 8.180 nan 0.000 0.453 156 I N 4.048 124.532 120.570 -0.143 0.000 2.730 156 I HA 0.265 4.435 4.170 -0.001 0.000 0.298 156 I C -0.793 175.281 176.117 -0.071 0.000 1.089 156 I CA -0.655 60.635 61.300 -0.016 0.000 1.041 156 I CB 2.958 40.928 38.000 -0.049 0.000 1.235 156 I HN 0.295 nan 8.210 nan 0.000 0.423 157 E N 2.711 122.936 120.200 0.041 0.000 2.260 157 E HA 0.491 4.841 4.350 -0.001 0.000 0.266 157 E C -1.526 175.069 176.600 -0.007 0.000 0.887 157 E CA -0.402 56.012 56.400 0.022 0.000 0.777 157 E CB 2.030 31.800 29.700 0.118 0.000 1.205 157 E HN 0.494 nan 8.360 nan 0.000 0.414 158 T N 4.220 118.757 114.554 -0.030 0.000 3.172 158 T HA 0.463 4.812 4.350 -0.001 0.000 0.320 158 T C -2.879 171.836 174.700 0.025 0.000 1.085 158 T CA -1.746 60.351 62.100 -0.005 0.000 1.052 158 T CB 1.338 70.211 68.868 0.008 0.000 1.107 158 T HN 0.145 nan 8.240 nan 0.000 0.458 159 P HA 0.271 nan 4.420 nan 0.000 0.274 159 P C -0.131 177.113 177.300 -0.093 0.000 1.237 159 P CA -0.246 62.881 63.100 0.045 0.000 0.793 159 P CB 0.284 32.072 31.700 0.146 0.000 0.977 160 T N -1.121 113.411 114.554 -0.035 0.000 2.907 160 T HA 0.195 4.544 4.350 -0.001 0.000 0.298 160 T C 0.196 174.806 174.700 -0.150 0.000 1.017 160 T CA -0.592 61.461 62.100 -0.079 0.000 1.118 160 T CB -0.062 68.825 68.868 0.031 0.000 0.948 160 T HN 0.273 nan 8.240 nan 0.000 0.531 161 N N 3.607 122.168 118.700 -0.230 0.000 2.457 161 N HA 0.367 5.107 4.740 -0.001 0.000 0.250 161 N C -2.082 173.494 175.510 0.109 0.000 0.982 161 N CA -2.658 50.353 53.050 -0.064 0.000 0.941 161 N CB 1.649 40.055 38.487 -0.134 0.000 1.120 161 N HN 0.370 nan 8.380 nan 0.000 0.505 162 P HA 0.167 nan 4.420 nan 0.000 0.281 162 P C 0.522 177.868 177.300 0.076 0.000 1.291 162 P CA 0.240 63.384 63.100 0.072 0.000 0.906 162 P CB 0.334 31.988 31.700 -0.076 0.000 1.388 163 T N -4.398 110.179 114.554 0.037 0.000 3.081 163 T HA 0.069 4.419 4.350 -0.001 0.000 0.255 163 T C 1.029 175.815 174.700 0.143 0.000 1.113 163 T CA 0.219 62.362 62.100 0.072 0.000 1.082 163 T CB -0.663 68.241 68.868 0.059 0.000 0.939 163 T HN -0.011 nan 8.240 nan 0.000 0.506 164 Q N 0.441 120.338 119.800 0.161 0.000 2.502 164 Q HA -0.136 4.204 4.340 -0.001 0.000 0.273 164 Q C -0.744 175.414 176.000 0.263 0.000 1.127 164 Q CA 0.419 56.361 55.803 0.232 0.000 0.952 164 Q CB -1.687 27.249 28.738 0.331 0.000 1.333 164 Q HN 0.656 nan 8.270 nan 0.000 0.494 165 K N -0.432 120.070 120.400 0.169 0.000 2.414 165 K HA 0.342 4.661 4.320 -0.001 0.000 0.272 165 K C -0.218 176.476 176.600 0.156 0.000 0.993 165 K CA 0.110 56.496 56.287 0.165 0.000 0.964 165 K CB 0.993 33.554 32.500 0.102 0.000 0.925 165 K HN -0.014 nan 8.250 nan 0.000 0.487 166 V N 4.176 124.193 119.914 0.172 0.000 2.448 166 V HA 0.303 4.422 4.120 -0.001 0.000 0.295 166 V C -0.431 175.703 176.094 0.067 0.000 1.025 166 V CA -0.901 61.457 62.300 0.096 0.000 0.859 166 V CB 1.338 33.199 31.823 0.063 0.000 0.988 166 V HN 0.513 nan 8.190 nan 0.000 0.431 167 I N 3.340 123.933 120.570 0.039 0.000 2.460 167 I HA 0.370 4.540 4.170 -0.001 0.000 0.298 167 I C 0.131 176.256 176.117 0.013 0.000 0.989 167 I CA -0.264 61.053 61.300 0.028 0.000 1.173 167 I CB 1.554 39.568 38.000 0.023 0.000 1.338 167 I HN 0.544 nan 8.210 nan 0.000 0.456 168 D N 5.757 126.164 120.400 0.011 0.000 2.374 168 D HA 0.189 4.828 4.640 -0.001 0.000 0.240 168 D C 1.033 177.333 176.300 -0.000 0.000 1.229 168 D CA 0.225 54.228 54.000 0.005 0.000 0.895 168 D CB 0.563 41.367 40.800 0.008 0.000 1.046 168 D HN 0.402 nan 8.370 nan 0.000 0.498 169 I N 2.788 123.356 120.570 -0.003 0.000 2.142 169 I HA -0.207 3.963 4.170 -0.001 0.000 0.240 169 I C 2.288 178.402 176.117 -0.005 0.000 1.078 169 I CA 0.873 62.167 61.300 -0.011 0.000 1.343 169 I CB -0.084 37.910 38.000 -0.009 0.000 1.046 169 I HN 0.472 nan 8.210 nan 0.000 0.405 170 E N 0.898 121.103 120.200 0.008 0.000 2.118 170 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 170 E C 2.247 178.867 176.600 0.033 0.000 0.992 170 E CA 1.482 57.894 56.400 0.020 0.000 0.804 170 E CB -0.247 29.461 29.700 0.013 0.000 0.741 170 E HN 0.524 nan 8.360 nan 0.000 0.458 171 G N -0.231 108.584 108.800 0.025 0.000 2.403 171 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.216 171 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.216 171 G C 1.649 176.570 174.900 0.035 0.000 1.154 171 G CA 0.763 45.891 45.100 0.046 0.000 0.784 171 G HN 0.381 nan 8.290 nan 0.000 0.538 172 C N 0.670 119.967 119.300 -0.006 0.000 2.457 172 C HA 0.285 4.745 4.460 -0.001 0.000 0.278 172 C C 3.492 178.417 174.990 -0.108 0.000 1.309 172 C CA 0.689 59.678 59.018 -0.047 0.000 1.735 172 C CB -0.729 26.980 27.740 -0.051 0.000 1.992 172 C HN 0.559 nan 8.230 nan 0.000 0.493 173 A N -0.233 122.527 122.820 -0.100 0.000 1.858 173 A HA -0.260 4.060 4.320 -0.001 0.000 0.216 173 A C 2.073 179.565 177.584 -0.154 0.000 1.190 173 A CA 1.952 53.866 52.037 -0.205 0.000 0.617 173 A CB -1.253 17.727 19.000 -0.033 0.000 0.827 173 A HN 0.811 nan 8.150 nan 0.000 0.443 174 H N -0.685 118.344 119.070 -0.068 0.000 2.319 174 H HA -0.152 4.403 4.556 -0.001 0.000 0.297 174 H C 1.902 177.196 175.328 -0.057 0.000 1.097 174 H CA 1.881 57.916 56.048 -0.023 0.000 1.285 174 H CB -0.042 29.712 29.762 -0.013 0.000 1.368 174 H HN 0.333 nan 8.280 nan 0.000 0.495 175 I N 0.725 121.160 120.570 -0.224 0.000 2.252 175 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 175 I C 2.794 178.788 176.117 -0.205 0.000 1.102 175 I CA 0.664 61.811 61.300 -0.255 0.000 1.385 175 I CB -1.036 36.889 38.000 -0.125 0.000 1.064 175 I HN 0.172 nan 8.210 nan 0.000 0.414 176 V N 0.293 120.077 119.914 -0.217 0.000 2.667 176 V HA -0.210 3.910 4.120 -0.001 0.000 0.252 176 V C 2.226 178.225 176.094 -0.159 0.000 1.065 176 V CA 1.373 63.548 62.300 -0.208 0.000 1.083 176 V CB -0.821 30.839 31.823 -0.272 0.000 0.692 176 V HN 0.422 nan 8.190 nan 0.000 0.468 177 H N -0.759 118.263 119.070 -0.080 0.000 2.548 177 H HA 0.091 4.646 4.556 -0.001 0.000 0.265 177 H C 2.062 177.303 175.328 -0.146 0.000 0.969 177 H CA 0.512 56.516 56.048 -0.074 0.000 1.155 177 H CB 0.160 29.904 29.762 -0.031 0.000 1.394 177 H HN 0.355 nan 8.280 nan 0.000 0.570 178 K N 0.278 120.572 120.400 -0.177 0.000 2.097 178 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 178 K C 0.033 176.255 176.600 -0.630 0.000 1.049 178 K CA 1.122 57.139 56.287 -0.449 0.000 0.933 178 K CB 0.326 32.446 32.500 -0.634 0.000 0.717 178 K HN 0.272 nan 8.250 nan 0.000 0.442 179 H N -1.642 117.425 119.070 -0.004 0.000 2.851 179 H HA 0.423 4.979 4.556 -0.001 0.000 0.372 179 H C 0.250 175.587 175.328 0.014 0.000 1.158 179 H CA -0.352 55.698 56.048 0.003 0.000 1.159 179 H CB 1.535 31.291 29.762 -0.010 0.000 1.757 179 H HN 0.356 nan 8.280 nan 0.000 0.546 180 G N 1.336 110.219 108.800 0.138 0.000 2.782 180 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.228 180 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.228 180 G C -0.679 174.262 174.900 0.068 0.000 1.372 180 G CA 0.001 45.152 45.100 0.084 0.000 0.862 180 G HN 0.745 nan 8.290 nan 0.000 0.547 181 D N 0.030 120.463 120.400 0.055 0.000 2.460 181 D HA 0.495 5.135 4.640 -0.001 0.000 0.268 181 D C 0.100 176.437 176.300 0.061 0.000 1.153 181 D CA -0.571 53.461 54.000 0.053 0.000 0.929 181 D CB 0.139 40.961 40.800 0.036 0.000 1.015 181 D HN 0.743 nan 8.370 nan 0.000 0.502 182 I N 2.940 123.562 120.570 0.086 0.000 2.545 182 I HA 0.481 4.651 4.170 -0.001 0.000 0.292 182 I C -1.204 174.980 176.117 0.112 0.000 1.040 182 I CA -0.964 60.382 61.300 0.078 0.000 1.068 182 I CB 1.676 39.702 38.000 0.044 0.000 1.251 182 I HN 0.140 nan 8.210 nan 0.000 0.424 183 I N 7.050 127.674 120.570 0.091 0.000 2.396 183 I HA 0.221 4.390 4.170 -0.001 0.000 0.292 183 I C -0.505 175.650 176.117 0.064 0.000 0.999 183 I CA -0.619 60.744 61.300 0.106 0.000 1.310 183 I CB 1.578 39.637 38.000 0.098 0.000 1.404 183 I HN 0.440 nan 8.210 nan 0.000 0.496 184 L N 8.352 129.607 121.223 0.053 0.000 2.276 184 L HA 0.480 4.820 4.340 -0.001 0.000 0.286 184 L C -0.628 176.202 176.870 -0.067 0.000 1.024 184 L CA -0.285 54.535 54.840 -0.032 0.000 0.826 184 L CB 1.243 43.241 42.059 -0.103 0.000 1.211 184 L HN 0.269 nan 8.230 nan 0.000 0.422 185 V N 5.901 125.723 119.914 -0.152 0.000 2.465 185 V HA 0.462 4.582 4.120 -0.001 0.000 0.279 185 V C -0.212 175.599 176.094 -0.472 0.000 1.045 185 V CA -0.573 61.512 62.300 -0.358 0.000 0.938 185 V CB 1.680 33.118 31.823 -0.641 0.000 0.986 185 V HN 0.502 nan 8.190 nan 0.000 0.467 186 V N 3.798 123.465 119.914 -0.412 0.000 2.378 186 V HA 0.319 4.438 4.120 -0.001 0.000 0.288 186 V C -0.335 175.511 176.094 -0.414 0.000 1.016 186 V CA -0.646 61.439 62.300 -0.358 0.000 0.840 186 V CB 1.789 33.495 31.823 -0.194 0.000 0.994 186 V HN 0.922 nan 8.190 nan 0.000 0.431 187 D N 4.015 124.171 120.400 -0.407 0.000 2.336 187 D HA 0.113 4.753 4.640 -0.001 0.000 0.249 187 D C 0.419 176.618 176.300 -0.169 0.000 1.213 187 D CA 0.131 53.976 54.000 -0.259 0.000 0.870 187 D CB 0.964 41.748 40.800 -0.026 0.000 1.076 187 D HN 0.513 nan 8.370 nan 0.000 0.483 188 N N 2.251 120.789 118.700 -0.269 0.000 2.234 188 N HA 0.046 4.786 4.740 -0.001 0.000 0.227 188 N C 0.930 176.503 175.510 0.106 0.000 1.151 188 N CA -0.079 52.883 53.050 -0.146 0.000 0.865 188 N CB 0.426 38.717 38.487 -0.326 0.000 1.066 188 N HN 0.236 nan 8.380 nan 0.000 0.515 189 T N -0.003 114.646 114.554 0.159 0.000 2.653 189 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 189 T C 1.102 176.153 174.700 0.585 0.000 1.035 189 T CA 1.354 63.692 62.100 0.397 0.000 1.154 189 T CB -0.344 68.701 68.868 0.295 0.000 0.862 189 T HN 0.213 nan 8.240 nan 0.000 0.441 190 F N 0.467 120.576 119.950 0.265 0.000 2.234 190 F HA 0.084 4.610 4.527 -0.001 0.000 0.299 190 F C 2.257 178.262 175.800 0.342 0.000 1.087 190 F CA 0.575 58.783 58.000 0.346 0.000 1.340 190 F CB -0.422 38.717 39.000 0.232 0.000 1.031 190 F HN 0.129 nan 8.300 nan 0.000 0.500 191 M N -0.753 119.117 119.600 0.451 0.000 2.466 191 M HA 0.100 4.579 4.480 -0.001 0.000 0.265 191 M C 0.738 177.221 176.300 0.305 0.000 1.122 191 M CA 1.011 56.504 55.300 0.321 0.000 1.157 191 M CB -1.131 31.629 32.600 0.266 0.000 1.352 191 M HN 0.180 nan 8.290 nan 0.000 0.464 192 S N 0.800 116.738 115.700 0.397 0.000 3.423 192 S HA -0.062 4.407 4.470 -0.001 0.000 0.847 192 S C -2.135 172.699 174.600 0.390 0.000 1.172 192 S CA 0.010 58.438 58.200 0.381 0.000 0.998 192 S CB -1.442 61.853 63.200 0.158 0.000 0.656 192 S HN 0.265 nan 8.310 nan 0.000 0.293 193 P HA -0.003 nan 4.420 nan 0.000 0.239 193 P C 1.062 178.623 177.300 0.436 0.000 1.184 193 P CA 1.255 64.618 63.100 0.438 0.000 0.760 193 P CB -0.294 31.652 31.700 0.409 0.000 0.884 194 Y N -0.584 119.719 120.300 0.005 0.000 2.337 194 Y HA 0.058 4.607 4.550 -0.001 0.000 0.293 194 Y C 1.840 177.562 175.900 -0.296 0.000 1.123 194 Y CA 1.300 59.050 58.100 -0.584 0.000 1.201 194 Y CB -0.414 37.461 38.460 -0.975 0.000 1.011 194 Y HN -0.216 nan 8.280 nan 0.000 0.545 195 F N -0.497 119.465 119.950 0.021 0.000 2.678 195 F HA 0.183 4.709 4.527 -0.001 0.000 0.291 195 F C 0.626 176.418 175.800 -0.012 0.000 1.123 195 F CA 0.076 57.991 58.000 -0.142 0.000 1.395 195 F CB 0.576 39.489 39.000 -0.146 0.000 1.121 195 F HN -0.111 nan 8.300 nan 0.000 0.592 196 Q N 0.486 120.505 119.800 0.365 0.000 2.281 196 Q HA 0.344 4.683 4.340 -0.001 0.000 0.263 196 Q C -1.138 175.035 176.000 0.287 0.000 0.989 196 Q CA -0.628 55.362 55.803 0.313 0.000 0.852 196 Q CB 1.651 30.506 28.738 0.194 0.000 1.337 196 Q HN 0.122 nan 8.270 nan 0.000 0.418 197 R N 4.743 125.375 120.500 0.221 0.000 2.396 197 R HA 0.264 4.603 4.340 -0.001 0.000 0.292 197 R C -2.007 174.311 176.300 0.031 0.000 1.240 197 R CA -1.767 54.352 56.100 0.032 0.000 1.270 197 R CB 1.046 31.185 30.300 -0.268 0.000 1.108 197 R HN 0.459 nan 8.270 nan 0.000 0.573 198 P HA -0.155 nan 4.420 nan 0.000 0.219 198 P C 0.859 178.162 177.300 0.005 0.000 1.146 198 P CA 1.070 64.174 63.100 0.007 0.000 0.808 198 P CB 0.290 31.970 31.700 -0.033 0.000 0.779 199 L N -1.172 120.051 121.223 0.000 0.000 2.141 199 L HA -0.082 4.258 4.340 -0.001 0.000 0.209 199 L C 2.408 179.277 176.870 -0.003 0.000 1.094 199 L CA 1.265 56.106 54.840 0.002 0.000 0.763 199 L CB -1.020 41.038 42.059 -0.002 0.000 0.908 199 L HN -0.049 nan 8.230 nan 0.000 0.437 200 A N -0.258 122.551 122.820 -0.018 0.000 2.066 200 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 200 A C 1.958 179.552 177.584 0.016 0.000 1.157 200 A CA 1.020 53.050 52.037 -0.013 0.000 0.670 200 A CB -0.331 18.651 19.000 -0.030 0.000 0.804 200 A HN 0.416 nan 8.150 nan 0.000 0.453 201 L N -1.762 119.475 121.223 0.024 0.000 2.667 201 L HA 0.345 4.684 4.340 -0.001 0.000 0.232 201 L C 1.487 178.382 176.870 0.042 0.000 1.138 201 L CA 0.556 55.416 54.840 0.032 0.000 0.921 201 L CB 0.368 42.445 42.059 0.031 0.000 1.180 201 L HN 0.496 nan 8.230 nan 0.000 0.487 202 G N -0.330 108.503 108.800 0.056 0.000 2.201 202 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.212 202 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.212 202 G C 0.492 175.485 174.900 0.155 0.000 0.994 202 G CA -0.182 44.987 45.100 0.114 0.000 0.644 202 G HN 0.432 nan 8.290 nan 0.000 0.508 203 A N 0.404 123.265 122.820 0.069 0.000 2.507 203 A HA 0.486 4.805 4.320 -0.001 0.000 0.235 203 A C 1.187 178.823 177.584 0.087 0.000 1.070 203 A CA 1.091 53.157 52.037 0.049 0.000 0.768 203 A CB 0.251 19.238 19.000 -0.023 0.000 1.011 203 A HN 0.218 nan 8.150 nan 0.000 0.502 204 D N 0.077 120.534 120.400 0.095 0.000 2.271 204 D HA 0.159 4.798 4.640 -0.001 0.000 0.206 204 D C 0.065 176.400 176.300 0.060 0.000 0.967 204 D CA 1.243 55.298 54.000 0.091 0.000 0.867 204 D CB 0.239 41.109 40.800 0.117 0.000 0.960 204 D HN 0.490 nan 8.370 nan 0.000 0.509 205 I N -0.040 120.539 120.570 0.015 0.000 2.569 205 I HA 0.092 4.262 4.170 -0.001 0.000 0.290 205 I C -0.726 175.345 176.117 -0.077 0.000 1.088 205 I CA -0.485 60.813 61.300 -0.003 0.000 1.047 205 I CB 2.718 40.715 38.000 -0.005 0.000 1.237 205 I HN -0.313 nan 8.210 nan 0.000 0.421 206 S N 7.411 123.082 115.700 -0.048 0.000 2.498 206 S HA 0.548 5.017 4.470 -0.001 0.000 0.324 206 S C -0.585 173.896 174.600 -0.198 0.000 1.071 206 S CA -0.596 57.523 58.200 -0.135 0.000 1.113 206 S CB 0.594 63.773 63.200 -0.034 0.000 0.976 206 S HN 0.525 nan 8.310 nan 0.000 0.462 207 M N 5.448 124.830 119.600 -0.362 0.000 2.404 207 M HA 0.508 4.987 4.480 -0.001 0.000 0.338 207 M C -2.127 173.911 176.300 -0.436 0.000 1.150 207 M CA -0.436 54.719 55.300 -0.242 0.000 1.016 207 M CB 1.218 33.696 32.600 -0.202 0.000 1.672 207 M HN 0.705 nan 8.290 nan 0.000 0.448 208 Y N 0.794 121.163 120.300 0.114 0.000 2.462 208 Y HA 0.331 4.880 4.550 -0.001 0.000 0.346 208 Y C 0.302 176.273 175.900 0.117 0.000 0.976 208 Y CA -0.696 57.480 58.100 0.126 0.000 1.044 208 Y CB 1.937 40.479 38.460 0.137 0.000 1.230 208 Y HN 0.673 nan 8.280 nan 0.000 0.455 209 S N 1.982 117.825 115.700 0.239 0.000 2.485 209 S HA 0.414 4.883 4.470 -0.001 0.000 0.312 209 S C 1.024 175.733 174.600 0.181 0.000 1.102 209 S CA -0.020 58.270 58.200 0.150 0.000 1.066 209 S CB 0.021 63.235 63.200 0.024 0.000 1.102 209 S HN 0.868 nan 8.310 nan 0.000 0.519 210 A N 4.501 127.426 122.820 0.175 0.000 2.019 210 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 210 A C 2.113 179.742 177.584 0.075 0.000 1.164 210 A CA 1.899 54.011 52.037 0.125 0.000 0.644 210 A CB -1.283 17.775 19.000 0.098 0.000 0.805 210 A HN 0.805 nan 8.150 nan 0.000 0.449 211 T N -0.079 114.506 114.554 0.051 0.000 2.837 211 T HA -0.206 4.144 4.350 -0.001 0.000 0.266 211 T C 1.506 176.186 174.700 -0.033 0.000 1.077 211 T CA 2.079 64.184 62.100 0.008 0.000 1.133 211 T CB -0.155 68.707 68.868 -0.010 0.000 0.830 211 T HN 0.509 nan 8.240 nan 0.000 0.512 212 K N -0.381 120.003 120.400 -0.027 0.000 3.860 212 K HA 0.388 4.708 4.320 -0.001 0.000 0.165 212 K C 1.645 178.176 176.600 -0.115 0.000 1.146 212 K CA 0.158 56.365 56.287 -0.133 0.000 1.673 212 K CB -0.674 31.752 32.500 -0.123 0.000 2.306 212 K HN 0.141 nan 8.250 nan 0.000 0.504 213 Y N 0.612 120.918 120.300 0.010 0.000 2.200 213 Y HA -0.193 4.356 4.550 -0.001 0.000 0.290 213 Y C 2.187 178.111 175.900 0.041 0.000 1.137 213 Y CA 0.758 58.860 58.100 0.002 0.000 1.163 213 Y CB 0.028 38.501 38.460 0.023 0.000 0.988 213 Y HN 0.117 nan 8.280 nan 0.000 0.518 214 M N 0.111 119.837 119.600 0.209 0.000 2.110 214 M HA -0.326 4.153 4.480 -0.001 0.000 0.257 214 M C 1.974 178.340 176.300 0.109 0.000 1.071 214 M CA 1.714 57.073 55.300 0.099 0.000 1.096 214 M CB -1.505 31.094 32.600 -0.003 0.000 1.300 214 M HN 0.426 nan 8.290 nan 0.000 0.411 215 N N -0.788 117.977 118.700 0.107 0.000 2.109 215 N HA -0.115 4.624 4.740 -0.001 0.000 0.188 215 N C 1.480 177.154 175.510 0.273 0.000 1.034 215 N CA 1.716 54.849 53.050 0.138 0.000 0.846 215 N CB 0.209 38.751 38.487 0.091 0.000 1.010 215 N HN 0.461 nan 8.380 nan 0.000 0.425 216 G N -0.035 108.858 108.800 0.154 0.000 2.234 216 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.260 216 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.260 216 G C 0.453 175.277 174.900 -0.126 0.000 0.987 216 G CA 0.671 45.808 45.100 0.062 0.000 0.625 216 G HN 0.675 nan 8.290 nan 0.000 0.532 217 H N -0.205 118.861 119.070 -0.006 0.000 2.592 217 H HA 0.373 4.928 4.556 -0.001 0.000 0.279 217 H C 1.334 176.555 175.328 -0.177 0.000 1.089 217 H CA 0.377 56.435 56.048 0.018 0.000 1.150 217 H CB 0.593 30.543 29.762 0.312 0.000 1.575 217 H HN 0.376 nan 8.280 nan 0.000 0.547 218 S N 1.997 117.612 115.700 -0.142 0.000 3.581 218 S HA -0.160 4.309 4.470 -0.001 0.000 0.354 218 S C 0.425 175.002 174.600 -0.039 0.000 1.059 218 S CA 1.292 59.399 58.200 -0.156 0.000 1.060 218 S CB -0.972 62.046 63.200 -0.304 0.000 0.908 218 S HN 0.841 nan 8.310 nan 0.000 0.475 219 D N -1.769 118.645 120.400 0.023 0.000 2.567 219 D HA 0.336 4.975 4.640 -0.001 0.000 0.268 219 D C -0.246 176.076 176.300 0.037 0.000 1.448 219 D CA -0.076 53.949 54.000 0.042 0.000 0.811 219 D CB -0.063 40.785 40.800 0.081 0.000 1.192 219 D HN 0.285 nan 8.370 nan 0.000 0.488 220 V N 0.935 120.866 119.914 0.030 0.000 2.623 220 V HA 0.400 4.519 4.120 -0.001 0.000 0.304 220 V C -0.254 175.854 176.094 0.024 0.000 1.054 220 V CA -0.959 61.359 62.300 0.029 0.000 0.882 220 V CB 2.338 34.180 31.823 0.032 0.000 1.002 220 V HN -0.002 nan 8.190 nan 0.000 0.424 221 V N 6.020 125.949 119.914 0.025 0.000 2.432 221 V HA 0.692 4.811 4.120 -0.001 0.000 0.275 221 V C -0.063 176.058 176.094 0.045 0.000 1.043 221 V CA -0.111 62.205 62.300 0.028 0.000 0.925 221 V CB 1.249 33.087 31.823 0.024 0.000 0.985 221 V HN 0.932 nan 8.190 nan 0.000 0.466 222 M N 3.942 123.578 119.600 0.060 0.000 2.605 222 M HA 0.692 5.171 4.480 -0.001 0.000 0.281 222 M C -0.678 175.700 176.300 0.130 0.000 1.166 222 M CA -0.163 55.191 55.300 0.091 0.000 0.875 222 M CB 2.268 34.915 32.600 0.078 0.000 1.732 222 M HN 0.746 nan 8.290 nan 0.000 0.504 223 G N 2.921 111.837 108.800 0.194 0.000 2.498 223 G HA2 0.864 4.823 3.960 -0.001 0.000 0.312 223 G HA3 0.864 4.823 3.960 -0.001 0.000 0.312 223 G C -2.083 173.029 174.900 0.355 0.000 1.230 223 G CA -0.745 44.510 45.100 0.258 0.000 0.968 223 G HN 0.751 nan 8.290 nan 0.000 0.481 224 L N 0.505 121.961 121.223 0.388 0.000 2.493 224 L HA 0.478 4.817 4.340 -0.001 0.000 0.265 224 L C -1.013 176.116 176.870 0.431 0.000 0.954 224 L CA -0.979 54.105 54.840 0.407 0.000 0.844 224 L CB 2.555 44.820 42.059 0.344 0.000 1.302 224 L HN 0.268 nan 8.230 nan 0.000 0.405 225 V N 1.522 121.693 119.914 0.429 0.000 2.407 225 V HA 0.420 4.539 4.120 -0.001 0.000 0.291 225 V C -0.100 176.172 176.094 0.296 0.000 1.018 225 V CA -0.342 62.163 62.300 0.341 0.000 0.842 225 V CB 1.868 33.920 31.823 0.381 0.000 0.996 225 V HN 0.777 nan 8.190 nan 0.000 0.426 226 S N 3.245 119.095 115.700 0.250 0.000 2.489 226 S HA 0.801 5.270 4.470 -0.001 0.000 0.291 226 S C -0.606 174.093 174.600 0.164 0.000 1.151 226 S CA -0.462 57.863 58.200 0.209 0.000 1.082 226 S CB 1.811 65.138 63.200 0.211 0.000 1.019 226 S HN 0.649 nan 8.310 nan 0.000 0.492 227 V N 3.393 123.409 119.914 0.170 0.000 3.048 227 V HA 0.463 4.583 4.120 -0.001 0.000 0.303 227 V C -0.767 175.412 176.094 0.142 0.000 1.214 227 V CA -0.615 61.787 62.300 0.169 0.000 0.984 227 V CB 2.390 34.357 31.823 0.240 0.000 1.054 227 V HN 0.856 nan 8.190 nan 0.000 0.430 228 N N 1.816 120.576 118.700 0.100 0.000 2.482 228 N HA 0.119 4.859 4.740 -0.001 0.000 0.179 228 N C 0.612 176.191 175.510 0.116 0.000 1.039 228 N CA 0.980 54.056 53.050 0.044 0.000 0.884 228 N CB 0.240 38.727 38.487 0.000 0.000 1.113 228 N HN 0.724 nan 8.380 nan 0.000 0.440 229 C N 2.529 121.910 119.300 0.134 0.000 2.629 229 C HA 0.135 4.595 4.460 -0.001 0.000 0.410 229 C C 2.116 177.223 174.990 0.196 0.000 1.339 229 C CA -0.436 58.658 59.018 0.127 0.000 1.810 229 C CB -0.027 27.763 27.740 0.083 0.000 2.549 229 C HN 0.356 nan 8.230 nan 0.000 0.589 230 E N 2.590 122.896 120.200 0.177 0.000 2.021 230 E HA -0.176 4.174 4.350 -0.001 0.000 0.200 230 E C 2.368 179.055 176.600 0.144 0.000 1.015 230 E CA 2.641 59.158 56.400 0.196 0.000 0.824 230 E CB -0.191 29.591 29.700 0.137 0.000 0.762 230 E HN 0.967 nan 8.360 nan 0.000 0.454 231 S N -0.331 115.424 115.700 0.091 0.000 2.447 231 S HA -0.128 4.342 4.470 -0.001 0.000 0.233 231 S C 1.945 176.583 174.600 0.063 0.000 1.006 231 S CA 1.023 59.258 58.200 0.057 0.000 0.957 231 S CB -0.299 62.921 63.200 0.033 0.000 0.773 231 S HN 0.274 nan 8.310 nan 0.000 0.507 232 L N 1.648 122.929 121.223 0.097 0.000 2.109 232 L HA 0.077 4.416 4.340 -0.001 0.000 0.207 232 L C 2.309 179.257 176.870 0.130 0.000 1.086 232 L CA 2.242 57.147 54.840 0.108 0.000 0.760 232 L CB -1.299 40.831 42.059 0.119 0.000 0.910 232 L HN 0.528 nan 8.230 nan 0.000 0.437 233 H N -0.038 119.064 119.070 0.054 0.000 2.290 233 H HA -0.158 4.398 4.556 -0.001 0.000 0.298 233 H C 1.989 177.296 175.328 -0.035 0.000 1.087 233 H CA 2.335 58.378 56.048 -0.008 0.000 1.291 233 H CB -0.168 29.490 29.762 -0.174 0.000 1.369 233 H HN 0.372 nan 8.280 nan 0.000 0.492 234 N N 0.496 119.072 118.700 -0.207 0.000 2.149 234 N HA -0.133 4.606 4.740 -0.001 0.000 0.188 234 N C 2.041 177.496 175.510 -0.092 0.000 1.019 234 N CA 1.302 54.223 53.050 -0.215 0.000 0.857 234 N CB -0.289 38.149 38.487 -0.081 0.000 0.997 234 N HN 0.459 nan 8.380 nan 0.000 0.426 235 R N -0.107 120.377 120.500 -0.027 0.000 2.075 235 R HA 0.030 4.370 4.340 -0.001 0.000 0.232 235 R C 1.787 178.154 176.300 0.112 0.000 1.126 235 R CA 0.556 56.678 56.100 0.037 0.000 0.963 235 R CB -0.185 30.138 30.300 0.039 0.000 0.858 235 R HN 0.081 nan 8.270 nan 0.000 0.435 236 L N 0.603 121.875 121.223 0.081 0.000 2.027 236 L HA -0.118 4.222 4.340 -0.001 0.000 0.206 236 L C 2.381 179.312 176.870 0.102 0.000 1.074 236 L CA 1.659 56.580 54.840 0.135 0.000 0.745 236 L CB -0.817 41.342 42.059 0.166 0.000 0.898 236 L HN 0.010 nan 8.230 nan 0.000 0.433 237 R N -1.035 119.417 120.500 -0.080 0.000 2.091 237 R HA -0.243 4.096 4.340 -0.001 0.000 0.238 237 R C 2.319 178.627 176.300 0.013 0.000 1.136 237 R CA 1.557 57.586 56.100 -0.118 0.000 0.959 237 R CB -0.666 29.433 30.300 -0.334 0.000 0.856 237 R HN 0.262 nan 8.270 nan 0.000 0.437 238 F N 0.209 120.117 119.950 -0.070 0.000 2.171 238 F HA -0.113 4.414 4.527 -0.001 0.000 0.300 238 F C 1.519 177.327 175.800 0.013 0.000 1.090 238 F CA 1.463 59.448 58.000 -0.026 0.000 1.293 238 F CB -0.043 38.943 39.000 -0.023 0.000 1.013 238 F HN 0.009 nan 8.300 nan 0.000 0.486 239 L N -0.225 121.090 121.223 0.154 0.000 2.109 239 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 239 L C 2.583 179.484 176.870 0.051 0.000 1.086 239 L CA 1.259 56.150 54.840 0.085 0.000 0.760 239 L CB -0.874 41.300 42.059 0.190 0.000 0.910 239 L HN 0.219 nan 8.230 nan 0.000 0.437 240 Q N 0.532 120.410 119.800 0.129 0.000 2.112 240 Q HA -0.292 4.047 4.340 -0.001 0.000 0.206 240 Q C 1.894 177.881 176.000 -0.022 0.000 0.987 240 Q CA 2.356 58.221 55.803 0.103 0.000 0.858 240 Q CB -0.005 28.702 28.738 -0.052 0.000 0.905 240 Q HN 0.444 nan 8.270 nan 0.000 0.420 241 N N -0.930 117.712 118.700 -0.095 0.000 2.251 241 N HA -0.033 4.706 4.740 -0.001 0.000 0.181 241 N C 1.531 176.936 175.510 -0.176 0.000 1.019 241 N CA 1.490 54.466 53.050 -0.123 0.000 0.862 241 N CB 0.047 38.446 38.487 -0.146 0.000 0.992 241 N HN 0.032 nan 8.380 nan 0.000 0.429 242 S N -0.226 115.284 115.700 -0.316 0.000 2.414 242 S HA 0.126 4.595 4.470 -0.001 0.000 0.227 242 S C 1.669 176.171 174.600 -0.164 0.000 1.022 242 S CA 0.524 58.534 58.200 -0.316 0.000 0.958 242 S CB -0.017 62.870 63.200 -0.522 0.000 0.797 242 S HN 0.310 nan 8.310 nan 0.000 0.493 243 L N 0.265 121.412 121.223 -0.128 0.000 2.416 243 L HA 0.257 4.596 4.340 -0.001 0.000 0.216 243 L C 1.756 178.593 176.870 -0.056 0.000 1.098 243 L CA 0.460 55.232 54.840 -0.113 0.000 0.840 243 L CB -0.698 41.261 42.059 -0.167 0.000 0.981 243 L HN 0.464 nan 8.230 nan 0.000 0.462 244 G N 0.991 109.777 108.800 -0.023 0.000 2.179 244 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.257 244 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.257 244 G C 0.542 175.461 174.900 0.032 0.000 1.010 244 G CA 0.284 45.389 45.100 0.008 0.000 0.736 244 G HN 0.488 nan 8.290 nan 0.000 0.513 245 A N -0.006 122.856 122.820 0.070 0.000 3.051 245 A HA 0.628 4.947 4.320 -0.001 0.000 0.257 245 A C 0.775 178.453 177.584 0.156 0.000 1.785 245 A CA 0.268 52.370 52.037 0.108 0.000 1.420 245 A CB 0.119 19.187 19.000 0.114 0.000 1.063 245 A HN 0.917 nan 8.150 nan 0.000 0.630 246 V N 2.704 122.657 119.914 0.064 0.000 2.716 246 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 246 V C -1.910 174.192 176.094 0.014 0.000 1.053 246 V CA -1.482 60.822 62.300 0.007 0.000 0.984 246 V CB 1.976 33.789 31.823 -0.018 0.000 1.021 246 V HN 0.645 nan 8.190 nan 0.000 0.467 247 P HA 0.212 nan 4.420 nan 0.000 0.286 247 P C -0.570 176.726 177.300 -0.007 0.000 1.261 247 P CA -0.333 62.773 63.100 0.009 0.000 0.821 247 P CB 1.358 33.067 31.700 0.014 0.000 1.013 248 S N 2.874 118.572 115.700 -0.003 0.000 2.552 248 S HA 0.064 4.534 4.470 -0.001 0.000 0.289 248 S C -1.325 173.268 174.600 -0.011 0.000 1.304 248 S CA -0.734 57.457 58.200 -0.014 0.000 1.063 248 S CB -0.380 62.814 63.200 -0.009 0.000 0.848 248 S HN 0.259 nan 8.310 nan 0.000 0.499 249 P HA -0.133 nan 4.420 nan 0.000 0.216 249 P C 1.456 178.765 177.300 0.015 0.000 1.150 249 P CA 1.081 64.171 63.100 -0.018 0.000 0.843 249 P CB -0.027 31.641 31.700 -0.053 0.000 0.787 250 I N -0.200 120.372 120.570 0.002 0.000 2.163 250 I HA -0.234 3.936 4.170 -0.001 0.000 0.243 250 I C 1.606 177.774 176.117 0.086 0.000 1.085 250 I CA 1.894 63.216 61.300 0.037 0.000 1.347 250 I CB -1.452 36.550 38.000 0.002 0.000 1.044 250 I HN 0.005 nan 8.210 nan 0.000 0.408 251 D N 0.820 121.248 120.400 0.046 0.000 2.123 251 D HA -0.151 4.488 4.640 -0.001 0.000 0.196 251 D C 2.351 178.674 176.300 0.039 0.000 0.992 251 D CA 1.131 55.156 54.000 0.041 0.000 0.833 251 D CB -0.369 40.448 40.800 0.028 0.000 0.954 251 D HN 0.323 nan 8.370 nan 0.000 0.455 252 C N 0.066 119.390 119.300 0.040 0.000 2.436 252 C HA -0.171 4.289 4.460 -0.001 0.000 0.277 252 C C 2.451 177.460 174.990 0.032 0.000 1.241 252 C CA 0.280 59.315 59.018 0.029 0.000 1.721 252 C CB -1.164 26.592 27.740 0.027 0.000 2.043 252 C HN 0.387 nan 8.230 nan 0.000 0.472 253 Y N 1.244 121.518 120.300 -0.044 0.000 2.069 253 Y HA -0.241 4.308 4.550 -0.001 0.000 0.278 253 Y C 2.193 178.064 175.900 -0.049 0.000 1.175 253 Y CA 1.708 59.776 58.100 -0.054 0.000 1.134 253 Y CB -0.678 37.739 38.460 -0.071 0.000 0.965 253 Y HN 0.136 nan 8.280 nan 0.000 0.498 254 L N -0.359 120.839 121.223 -0.042 0.000 2.079 254 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 254 L C 2.879 179.646 176.870 -0.172 0.000 1.081 254 L CA 1.825 56.593 54.840 -0.119 0.000 0.752 254 L CB -1.658 40.413 42.059 0.019 0.000 0.896 254 L HN 0.624 nan 8.230 nan 0.000 0.433 255 C N -0.675 118.562 119.300 -0.105 0.000 2.486 255 C HA -0.056 4.403 4.460 -0.001 0.000 0.279 255 C C 2.758 177.687 174.990 -0.102 0.000 1.302 255 C CA 0.590 59.569 59.018 -0.065 0.000 1.720 255 C CB -0.835 26.894 27.740 -0.019 0.000 2.030 255 C HN 0.605 nan 8.230 nan 0.000 0.490 256 N N 0.883 119.494 118.700 -0.148 0.000 2.223 256 N HA -0.130 4.610 4.740 -0.001 0.000 0.185 256 N C 2.071 177.445 175.510 -0.226 0.000 1.016 256 N CA 1.139 54.091 53.050 -0.164 0.000 0.863 256 N CB -0.677 37.711 38.487 -0.166 0.000 0.983 256 N HN 0.591 nan 8.380 nan 0.000 0.429 257 R N -0.185 120.094 120.500 -0.369 0.000 2.075 257 R HA -0.051 4.289 4.340 -0.001 0.000 0.232 257 R C 2.029 178.204 176.300 -0.207 0.000 1.126 257 R CA 1.413 57.295 56.100 -0.364 0.000 0.963 257 R CB -0.627 29.360 30.300 -0.522 0.000 0.858 257 R HN 0.272 nan 8.270 nan 0.000 0.435 258 G N 1.081 109.780 108.800 -0.168 0.000 2.418 258 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 258 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 258 G C 1.247 176.194 174.900 0.078 0.000 1.158 258 G CA 0.235 45.328 45.100 -0.012 0.000 0.771 258 G HN 0.195 nan 8.290 nan 0.000 0.545 259 L N 0.637 121.870 121.223 0.018 0.000 2.261 259 L HA 0.006 4.346 4.340 -0.001 0.000 0.216 259 L C 2.549 179.454 176.870 0.057 0.000 1.114 259 L CA 1.185 56.046 54.840 0.034 0.000 0.777 259 L CB -0.263 41.780 42.059 -0.027 0.000 0.910 259 L HN 0.096 nan 8.230 nan 0.000 0.440 260 K N -0.944 119.471 120.400 0.025 0.000 2.283 260 K HA -0.007 4.312 4.320 -0.001 0.000 0.202 260 K C 1.535 178.236 176.600 0.169 0.000 1.048 260 K CA 1.411 57.725 56.287 0.046 0.000 0.948 260 K CB -0.488 32.004 32.500 -0.014 0.000 0.742 260 K HN 0.534 nan 8.250 nan 0.000 0.458 261 T N -2.171 112.466 114.554 0.138 0.000 3.132 261 T HA 0.133 4.482 4.350 -0.001 0.000 0.274 261 T C 1.488 176.195 174.700 0.011 0.000 1.011 261 T CA -0.367 61.761 62.100 0.046 0.000 0.899 261 T CB 0.039 68.923 68.868 0.026 0.000 1.089 261 T HN -0.087 nan 8.240 nan 0.000 0.543 262 L N 3.000 124.318 121.223 0.158 0.000 1.990 262 L HA -0.132 4.207 4.340 -0.001 0.000 0.213 262 L C 2.477 179.246 176.870 -0.169 0.000 1.072 262 L CA 2.662 57.551 54.840 0.082 0.000 0.755 262 L CB -0.959 41.216 42.059 0.193 0.000 0.889 262 L HN 0.682 nan 8.230 nan 0.000 0.432 263 H N -1.922 116.958 119.070 -0.316 0.000 2.289 263 H HA -0.156 4.400 4.556 -0.001 0.000 0.296 263 H C 1.978 176.979 175.328 -0.545 0.000 1.091 263 H CA 2.059 57.633 56.048 -0.788 0.000 1.274 263 H CB -1.333 28.260 29.762 -0.282 0.000 1.364 263 H HN 0.291 nan 8.280 nan 0.000 0.490 264 V N -0.434 118.942 119.914 -0.896 0.000 2.548 264 V HA -0.102 4.018 4.120 -0.001 0.000 0.249 264 V C 2.357 178.257 176.094 -0.324 0.000 1.055 264 V CA 1.551 63.527 62.300 -0.541 0.000 1.065 264 V CB -0.565 30.965 31.823 -0.489 0.000 0.681 264 V HN 0.292 nan 8.190 nan 0.000 0.462 265 R N -0.519 119.817 120.500 -0.275 0.000 2.062 265 R HA 0.016 4.355 4.340 -0.001 0.000 0.231 265 R C 2.412 178.645 176.300 -0.112 0.000 1.136 265 R CA 1.784 57.781 56.100 -0.172 0.000 0.948 265 R CB -0.493 29.787 30.300 -0.034 0.000 0.845 265 R HN 0.362 nan 8.270 nan 0.000 0.430 266 M N 1.028 120.537 119.600 -0.152 0.000 2.267 266 M HA -0.126 4.353 4.480 -0.001 0.000 0.263 266 M C 1.800 178.185 176.300 0.142 0.000 1.063 266 M CA 1.426 56.675 55.300 -0.085 0.000 1.090 266 M CB -0.687 31.557 32.600 -0.595 0.000 1.392 266 M HN 0.086 nan 8.290 nan 0.000 0.422 267 E N -0.006 120.191 120.200 -0.006 0.000 2.072 267 E HA -0.168 4.181 4.350 -0.001 0.000 0.190 267 E C 2.035 178.723 176.600 0.147 0.000 0.982 267 E CA 0.995 57.503 56.400 0.181 0.000 0.803 267 E CB -0.191 29.524 29.700 0.025 0.000 0.755 267 E HN 0.279 nan 8.360 nan 0.000 0.453 268 K N 0.614 121.014 120.400 -0.001 0.000 2.057 268 K HA -0.125 4.195 4.320 -0.001 0.000 0.206 268 K C 1.963 178.570 176.600 0.011 0.000 1.050 268 K CA 1.273 57.529 56.287 -0.053 0.000 0.935 268 K CB -0.424 31.981 32.500 -0.158 0.000 0.715 268 K HN 0.197 nan 8.250 nan 0.000 0.439 269 H N -0.882 118.273 119.070 0.142 0.000 2.390 269 H HA -0.158 4.398 4.556 -0.001 0.000 0.298 269 H C 1.887 177.386 175.328 0.285 0.000 1.106 269 H CA 1.609 57.774 56.048 0.196 0.000 1.297 269 H CB -0.315 29.570 29.762 0.205 0.000 1.375 269 H HN 0.193 nan 8.280 nan 0.000 0.509 270 F N 1.889 121.991 119.950 0.253 0.000 2.128 270 F HA -0.061 4.465 4.527 -0.001 0.000 0.295 270 F C 2.222 178.092 175.800 0.116 0.000 1.100 270 F CA 1.144 59.245 58.000 0.168 0.000 1.260 270 F CB -0.323 38.767 39.000 0.151 0.000 1.009 270 F HN -0.082 nan 8.300 nan 0.000 0.476 271 K N 0.103 120.528 120.400 0.041 0.000 2.009 271 K HA -0.201 4.118 4.320 -0.001 0.000 0.210 271 K C 1.896 178.489 176.600 -0.012 0.000 1.049 271 K CA 1.726 57.954 56.287 -0.098 0.000 0.929 271 K CB -0.258 32.196 32.500 -0.077 0.000 0.714 271 K HN 0.157 nan 8.250 nan 0.000 0.440 272 N N 0.095 118.820 118.700 0.042 0.000 2.084 272 N HA -0.113 4.626 4.740 -0.001 0.000 0.190 272 N C 1.838 177.386 175.510 0.064 0.000 1.030 272 N CA 1.442 54.518 53.050 0.044 0.000 0.849 272 N CB -0.792 37.721 38.487 0.043 0.000 1.012 272 N HN 0.321 nan 8.380 nan 0.000 0.423 273 G N 0.723 109.598 108.800 0.126 0.000 2.469 273 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.219 273 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.219 273 G C 1.589 176.379 174.900 -0.182 0.000 1.150 273 G CA 1.183 46.311 45.100 0.047 0.000 0.763 273 G HN 0.214 nan 8.290 nan 0.000 0.561 274 M N 1.457 121.067 119.600 0.017 0.000 2.086 274 M HA 0.199 4.678 4.480 -0.001 0.000 0.261 274 M C 2.717 178.998 176.300 -0.032 0.000 1.067 274 M CA 1.570 56.883 55.300 0.021 0.000 1.116 274 M CB -0.612 32.019 32.600 0.050 0.000 1.348 274 M HN 0.232 nan 8.290 nan 0.000 0.407 275 A N -1.265 121.546 122.820 -0.014 0.000 1.933 275 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 275 A C 2.228 179.838 177.584 0.044 0.000 1.175 275 A CA 1.850 53.896 52.037 0.015 0.000 0.628 275 A CB -1.154 17.850 19.000 0.006 0.000 0.814 275 A HN 0.370 nan 8.150 nan 0.000 0.444 276 V N -0.399 119.524 119.914 0.014 0.000 2.379 276 V HA -0.189 3.931 4.120 -0.001 0.000 0.245 276 V C 3.035 179.149 176.094 0.033 0.000 1.044 276 V CA 1.795 64.127 62.300 0.053 0.000 1.036 276 V CB -0.945 30.924 31.823 0.078 0.000 0.664 276 V HN 0.615 nan 8.190 nan 0.000 0.453 277 A N -1.028 121.728 122.820 -0.107 0.000 1.877 277 A HA -0.292 4.027 4.320 -0.001 0.000 0.216 277 A C 2.146 179.728 177.584 -0.003 0.000 1.186 277 A CA 1.999 53.970 52.037 -0.111 0.000 0.620 277 A CB -0.530 18.274 19.000 -0.326 0.000 0.822 277 A HN 0.594 nan 8.150 nan 0.000 0.443 278 Q N -1.826 117.989 119.800 0.024 0.000 2.061 278 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 278 Q C 1.931 177.952 176.000 0.035 0.000 0.984 278 Q CA 1.800 57.627 55.803 0.041 0.000 0.846 278 Q CB -0.326 28.444 28.738 0.053 0.000 0.902 278 Q HN 0.750 nan 8.270 nan 0.000 0.421 279 F N 0.895 120.811 119.950 -0.056 0.000 2.126 279 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 279 F C 1.681 177.423 175.800 -0.097 0.000 1.096 279 F CA 1.240 59.203 58.000 -0.062 0.000 1.255 279 F CB -0.030 38.941 39.000 -0.049 0.000 0.997 279 F HN -0.020 nan 8.300 nan 0.000 0.479 280 L N -0.066 121.100 121.223 -0.094 0.000 2.109 280 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 280 L C 2.388 179.110 176.870 -0.247 0.000 1.086 280 L CA 1.647 56.326 54.840 -0.269 0.000 0.760 280 L CB -0.784 41.087 42.059 -0.313 0.000 0.910 280 L HN 0.159 nan 8.230 nan 0.000 0.437 281 E N -0.097 120.019 120.200 -0.140 0.000 2.265 281 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 281 E C 1.635 178.144 176.600 -0.151 0.000 0.996 281 E CA 1.050 57.391 56.400 -0.097 0.000 0.832 281 E CB 0.200 29.882 29.700 -0.030 0.000 0.756 281 E HN 0.300 nan 8.360 nan 0.000 0.491 282 S N 0.129 115.688 115.700 -0.236 0.000 2.577 282 S HA 0.073 4.542 4.470 -0.001 0.000 0.219 282 S C 0.138 174.529 174.600 -0.349 0.000 0.962 282 S CA -0.443 57.605 58.200 -0.254 0.000 0.921 282 S CB 0.104 63.157 63.200 -0.245 0.000 0.789 282 S HN 0.211 nan 8.310 nan 0.000 0.497 283 N N 2.599 121.057 118.700 -0.403 0.000 2.426 283 N HA 0.191 4.930 4.740 -0.001 0.000 0.275 283 N C -2.200 173.090 175.510 -0.366 0.000 1.019 283 N CA -1.786 50.993 53.050 -0.450 0.000 0.941 283 N CB 1.803 39.993 38.487 -0.495 0.000 1.123 283 N HN -0.046 nan 8.380 nan 0.000 0.486 284 P HA -0.059 nan 4.420 nan 0.000 0.228 284 P C 0.198 177.235 177.300 -0.439 0.000 1.151 284 P CA 1.006 63.782 63.100 -0.540 0.000 0.770 284 P CB -0.099 31.128 31.700 -0.789 0.000 0.786 285 W N -0.519 120.744 121.300 -0.062 0.000 3.278 285 W HA 0.238 4.898 4.660 -0.001 0.000 0.308 285 W C 0.137 176.641 176.519 -0.025 0.000 1.253 285 W CA -0.528 56.796 57.345 -0.034 0.000 1.759 285 W CB 0.219 29.678 29.460 -0.001 0.000 1.093 285 W HN -0.358 nan 8.180 nan 0.000 0.648 286 V N 1.265 121.239 119.914 0.101 0.000 2.435 286 V HA 0.137 4.256 4.120 -0.001 0.000 0.290 286 V C 0.871 177.022 176.094 0.096 0.000 1.030 286 V CA -0.434 61.935 62.300 0.114 0.000 0.881 286 V CB 1.823 33.637 31.823 -0.014 0.000 0.983 286 V HN -0.083 nan 8.190 nan 0.000 0.445 287 E N 4.019 124.313 120.200 0.156 0.000 2.086 287 E HA 0.092 4.441 4.350 -0.001 0.000 0.190 287 E C 0.618 177.270 176.600 0.087 0.000 0.975 287 E CA 1.166 57.620 56.400 0.092 0.000 0.813 287 E CB 0.340 30.085 29.700 0.076 0.000 0.768 287 E HN 0.613 nan 8.360 nan 0.000 0.457 288 K N -0.687 119.829 120.400 0.194 0.000 2.557 288 K HA 0.375 4.694 4.320 -0.001 0.000 0.261 288 K C -1.945 174.842 176.600 0.312 0.000 0.932 288 K CA -0.670 55.732 56.287 0.193 0.000 0.829 288 K CB 2.108 34.693 32.500 0.140 0.000 1.358 288 K HN -0.097 nan 8.250 nan 0.000 0.430 289 V N 5.123 125.175 119.914 0.231 0.000 2.417 289 V HA 0.470 4.590 4.120 -0.001 0.000 0.291 289 V C -0.239 176.016 176.094 0.268 0.000 1.024 289 V CA -0.730 61.729 62.300 0.264 0.000 0.861 289 V CB 1.428 33.354 31.823 0.172 0.000 0.985 289 V HN 0.600 nan 8.190 nan 0.000 0.436 290 I N 5.805 126.560 120.570 0.308 0.000 2.330 290 I HA 0.435 4.604 4.170 -0.001 0.000 0.286 290 I C -1.163 175.226 176.117 0.454 0.000 1.025 290 I CA -0.500 60.992 61.300 0.320 0.000 1.197 290 I CB 0.712 38.865 38.000 0.256 0.000 1.358 290 I HN 0.609 nan 8.210 nan 0.000 0.467 291 Y N 8.715 129.217 120.300 0.337 0.000 2.362 291 Y HA 0.355 4.904 4.550 -0.001 0.000 0.326 291 Y C -2.348 173.711 175.900 0.265 0.000 1.083 291 Y CA -1.945 56.326 58.100 0.285 0.000 1.073 291 Y CB 2.225 40.815 38.460 0.216 0.000 1.211 291 Y HN 0.281 nan 8.280 nan 0.000 0.433 292 P HA -0.152 nan 4.420 nan 0.000 0.217 292 P C 1.347 178.511 177.300 -0.225 0.000 1.151 292 P CA 2.619 65.385 63.100 -0.557 0.000 0.849 292 P CB 0.254 31.628 31.700 -0.542 0.000 0.787 293 G N -1.552 106.977 108.800 -0.453 0.000 2.679 293 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.212 293 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.212 293 G C 0.426 175.509 174.900 0.305 0.000 1.137 293 G CA -0.032 45.185 45.100 0.195 0.000 0.787 293 G HN 0.219 nan 8.290 nan 0.000 0.534 294 L N 0.487 121.811 121.223 0.167 0.000 2.326 294 L HA 0.218 4.558 4.340 -0.001 0.000 0.278 294 L C -1.194 175.384 176.870 -0.486 0.000 1.092 294 L CA -1.907 52.937 54.840 0.007 0.000 0.810 294 L CB 2.084 44.251 42.059 0.181 0.000 1.153 294 L HN -0.075 nan 8.230 nan 0.000 0.439 295 P HA -0.190 nan 4.420 nan 0.000 0.217 295 P C 1.412 178.603 177.300 -0.182 0.000 1.148 295 P CA 1.211 64.005 63.100 -0.509 0.000 0.828 295 P CB 0.188 31.768 31.700 -0.200 0.000 0.783 296 S N -2.618 113.041 115.700 -0.068 0.000 2.515 296 S HA -0.129 4.340 4.470 -0.001 0.000 0.231 296 S C 0.843 175.486 174.600 0.071 0.000 0.987 296 S CA 0.047 58.255 58.200 0.013 0.000 0.936 296 S CB -1.462 61.752 63.200 0.024 0.000 0.766 296 S HN 0.260 nan 8.310 nan 0.000 0.528 297 H N 3.320 122.406 119.070 0.027 0.000 2.886 297 H HA 0.207 4.762 4.556 -0.001 0.000 0.329 297 H C -1.682 173.699 175.328 0.088 0.000 1.044 297 H CA -1.179 54.918 56.048 0.082 0.000 1.456 297 H CB 0.842 30.671 29.762 0.112 0.000 1.464 297 H HN 0.000 nan 8.280 nan 0.000 0.573 298 P HA -0.159 nan 4.420 nan 0.000 0.215 298 P C 0.281 177.700 177.300 0.199 0.000 1.153 298 P CA 1.332 64.468 63.100 0.059 0.000 0.853 298 P CB 0.275 31.951 31.700 -0.039 0.000 0.788 299 Q N -2.203 117.846 119.800 0.416 0.000 2.225 299 Q HA 0.035 4.375 4.340 -0.001 0.000 0.222 299 Q C 1.334 177.431 176.000 0.160 0.000 0.887 299 Q CA 0.019 55.974 55.803 0.253 0.000 0.958 299 Q CB -0.883 27.980 28.738 0.208 0.000 1.058 299 Q HN 0.359 nan 8.270 nan 0.000 0.459 300 H N 1.199 120.340 119.070 0.118 0.000 2.319 300 H HA -0.147 4.409 4.556 -0.001 0.000 0.297 300 H C 1.382 176.651 175.328 -0.099 0.000 1.097 300 H CA 2.005 58.043 56.048 -0.018 0.000 1.285 300 H CB 0.586 30.364 29.762 0.026 0.000 1.368 300 H HN 0.167 nan 8.280 nan 0.000 0.495 301 E N 0.519 120.615 120.200 -0.172 0.000 2.110 301 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 301 E C 2.607 179.071 176.600 -0.227 0.000 0.988 301 E CA 0.680 56.932 56.400 -0.247 0.000 0.804 301 E CB -0.521 29.119 29.700 -0.100 0.000 0.745 301 E HN 0.515 nan 8.360 nan 0.000 0.458 302 L N 0.786 121.928 121.223 -0.135 0.000 2.079 302 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 302 L C 2.343 179.122 176.870 -0.152 0.000 1.081 302 L CA 1.048 55.824 54.840 -0.107 0.000 0.752 302 L CB -0.180 41.850 42.059 -0.047 0.000 0.896 302 L HN 0.009 nan 8.230 nan 0.000 0.433 303 V N 0.038 119.821 119.914 -0.218 0.000 2.343 303 V HA -0.314 3.805 4.120 -0.001 0.000 0.247 303 V C 2.444 178.383 176.094 -0.258 0.000 1.051 303 V CA 1.857 64.020 62.300 -0.228 0.000 1.036 303 V CB -0.488 31.169 31.823 -0.277 0.000 0.654 303 V HN 0.466 nan 8.190 nan 0.000 0.451 304 K N -0.373 119.750 120.400 -0.462 0.000 2.217 304 K HA -0.058 4.261 4.320 -0.001 0.000 0.202 304 K C 2.272 178.715 176.600 -0.262 0.000 1.051 304 K CA 0.876 56.831 56.287 -0.555 0.000 0.952 304 K CB -0.153 31.854 32.500 -0.822 0.000 0.736 304 K HN 0.430 nan 8.250 nan 0.000 0.453 305 R N 0.866 121.252 120.500 -0.190 0.000 2.153 305 R HA -0.102 4.238 4.340 -0.001 0.000 0.218 305 R C 2.151 178.417 176.300 -0.057 0.000 1.072 305 R CA 1.125 57.161 56.100 -0.106 0.000 0.990 305 R CB 0.074 30.322 30.300 -0.086 0.000 0.889 305 R HN 0.370 nan 8.270 nan 0.000 0.452 306 Q N -0.881 118.888 119.800 -0.052 0.000 2.246 306 Q HA 0.152 4.491 4.340 -0.001 0.000 0.222 306 Q C -0.271 175.743 176.000 0.023 0.000 0.851 306 Q CA -0.004 55.797 55.803 -0.004 0.000 0.945 306 Q CB 0.883 29.620 28.738 -0.002 0.000 1.122 306 Q HN 0.088 nan 8.270 nan 0.000 0.508 307 C N 0.654 119.954 119.300 0.000 0.000 2.802 307 C HA 0.461 4.920 4.460 -0.001 0.000 0.307 307 C C 1.254 176.225 174.990 -0.032 0.000 1.222 307 C CA -0.205 58.812 59.018 -0.002 0.000 1.580 307 C CB 1.776 29.497 27.740 -0.031 0.000 2.119 307 C HN 0.506 nan 8.230 nan 0.000 0.479 308 T N -1.545 112.875 114.554 -0.223 0.000 3.107 308 T HA 0.498 4.847 4.350 -0.001 0.000 0.249 308 T C 0.642 174.993 174.700 -0.581 0.000 1.096 308 T CA 0.676 62.503 62.100 -0.454 0.000 1.012 308 T CB -0.066 68.235 68.868 -0.944 0.000 0.977 308 T HN 1.501 nan 8.240 nan 0.000 0.527 309 G N -0.837 107.527 108.800 -0.727 0.000 2.336 309 G HA2 0.445 4.404 3.960 -0.001 0.000 0.286 309 G HA3 0.445 4.404 3.960 -0.001 0.000 0.286 309 G C -1.489 172.253 174.900 -1.929 0.000 1.269 309 G CA -0.262 43.792 45.100 -1.743 0.000 0.873 309 G HN 0.427 nan 8.290 nan 0.000 0.494 310 C N -1.694 115.891 119.300 -2.858 0.000 3.259 310 C HA 0.983 5.442 4.460 -0.001 0.000 0.328 310 C C 0.566 174.799 174.990 -1.263 0.000 1.425 310 C CA -0.366 57.673 59.018 -1.632 0.000 1.465 310 C CB 1.510 28.676 27.740 -0.957 0.000 1.890 310 C HN 0.980 nan 8.230 nan 0.000 0.450 311 T N -0.842 113.491 114.554 -0.368 0.000 2.807 311 T HA 0.563 4.912 4.350 -0.001 0.000 0.277 311 T C 0.937 175.809 174.700 0.287 0.000 1.006 311 T CA 0.400 62.482 62.100 -0.029 0.000 1.006 311 T CB 1.268 70.109 68.868 -0.045 0.000 1.274 311 T HN 0.926 nan 8.240 nan 0.000 0.569 312 G N 1.066 110.043 108.800 0.296 0.000 3.141 312 G HA2 0.168 4.127 3.960 -0.001 0.000 0.218 312 G HA3 0.168 4.127 3.960 -0.001 0.000 0.218 312 G C 0.339 175.392 174.900 0.255 0.000 1.170 312 G CA -0.055 45.241 45.100 0.327 0.000 0.769 312 G HN 0.358 nan 8.290 nan 0.000 0.546 313 M N 1.824 121.572 119.600 0.247 0.000 2.156 313 M HA 0.318 4.798 4.480 -0.001 0.000 0.345 313 M C -0.724 175.784 176.300 0.348 0.000 1.398 313 M CA -0.610 54.790 55.300 0.166 0.000 1.148 313 M CB 0.633 33.199 32.600 -0.057 0.000 1.663 313 M HN -0.224 nan 8.290 nan 0.000 0.464 314 V N 3.235 123.319 119.914 0.284 0.000 2.487 314 V HA 0.635 4.755 4.120 -0.001 0.000 0.298 314 V C 0.238 176.520 176.094 0.312 0.000 1.028 314 V CA -0.735 61.747 62.300 0.304 0.000 0.860 314 V CB 1.950 33.865 31.823 0.154 0.000 0.991 314 V HN 0.888 nan 8.190 nan 0.000 0.427 315 T N 3.112 117.856 114.554 0.316 0.000 2.863 315 T HA 0.892 5.242 4.350 -0.001 0.000 0.285 315 T C -0.894 173.968 174.700 0.270 0.000 1.009 315 T CA -0.518 61.709 62.100 0.212 0.000 0.989 315 T CB 1.744 70.666 68.868 0.090 0.000 1.004 315 T HN 0.754 nan 8.240 nan 0.000 0.455 316 F N 0.244 120.158 119.950 -0.060 0.000 2.685 316 F HA 0.778 5.304 4.527 -0.001 0.000 0.315 316 F C -2.319 173.373 175.800 -0.180 0.000 1.126 316 F CA -1.835 56.142 58.000 -0.038 0.000 0.950 316 F CB 1.219 40.222 39.000 0.006 0.000 1.360 316 F HN 0.527 nan 8.300 nan 0.000 0.469 317 Y N 2.751 123.042 120.300 -0.015 0.000 2.334 317 Y HA 0.488 5.038 4.550 -0.001 0.000 0.336 317 Y C 0.156 176.070 175.900 0.022 0.000 0.960 317 Y CA -0.885 57.140 58.100 -0.126 0.000 1.164 317 Y CB 1.580 40.025 38.460 -0.026 0.000 1.155 317 Y HN 0.717 nan 8.280 nan 0.000 0.478 318 I N 3.908 124.480 120.570 0.004 0.000 2.754 318 I HA 0.080 4.249 4.170 -0.001 0.000 0.285 318 I C -0.000 176.181 176.117 0.107 0.000 1.166 318 I CA -0.218 61.158 61.300 0.125 0.000 1.417 318 I CB 0.417 38.407 38.000 -0.016 0.000 1.382 318 I HN 0.591 nan 8.210 nan 0.000 0.588 319 K N 4.614 125.076 120.400 0.103 0.000 2.319 319 K HA 0.388 4.707 4.320 -0.001 0.000 0.265 319 K C 0.558 177.106 176.600 -0.086 0.000 1.000 319 K CA 0.822 57.130 56.287 0.034 0.000 0.943 319 K CB 0.491 33.029 32.500 0.065 0.000 0.950 319 K HN 0.953 nan 8.250 nan 0.000 0.485 320 G N 0.782 109.527 108.800 -0.092 0.000 2.669 320 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.250 320 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.250 320 G C -0.317 174.641 174.900 0.095 0.000 1.247 320 G CA -0.072 44.950 45.100 -0.130 0.000 0.958 320 G HN 0.640 nan 8.290 nan 0.000 0.559 321 T N -0.413 114.325 114.554 0.306 0.000 2.778 321 T HA 0.540 4.890 4.350 -0.001 0.000 0.293 321 T C 1.181 175.977 174.700 0.161 0.000 1.144 321 T CA 0.224 62.459 62.100 0.224 0.000 1.010 321 T CB 1.713 70.713 68.868 0.219 0.000 1.325 321 T HN 1.243 nan 8.240 nan 0.000 0.515 322 L N 1.661 122.931 121.223 0.078 0.000 2.013 322 L HA -0.125 4.214 4.340 -0.001 0.000 0.212 322 L C 2.564 179.445 176.870 0.019 0.000 1.073 322 L CA 2.132 56.996 54.840 0.041 0.000 0.753 322 L CB -0.700 41.371 42.059 0.020 0.000 0.890 322 L HN 0.780 nan 8.230 nan 0.000 0.432 323 Q N -1.344 118.435 119.800 -0.036 0.000 2.112 323 Q HA -0.299 4.040 4.340 -0.001 0.000 0.206 323 Q C 2.118 178.029 176.000 -0.149 0.000 0.987 323 Q CA 2.391 58.115 55.803 -0.131 0.000 0.858 323 Q CB -0.191 28.402 28.738 -0.242 0.000 0.905 323 Q HN 0.748 nan 8.270 nan 0.000 0.420 324 H N -0.506 118.556 119.070 -0.013 0.000 2.293 324 H HA -0.075 4.481 4.556 -0.001 0.000 0.300 324 H C 2.055 177.399 175.328 0.027 0.000 1.082 324 H CA 1.548 57.586 56.048 -0.017 0.000 1.308 324 H CB -0.271 29.478 29.762 -0.020 0.000 1.375 324 H HN 0.433 nan 8.280 nan 0.000 0.495 325 A N 1.311 124.215 122.820 0.140 0.000 1.892 325 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 325 A C 2.127 179.798 177.584 0.146 0.000 1.188 325 A CA 2.177 54.276 52.037 0.102 0.000 0.631 325 A CB -0.498 18.519 19.000 0.027 0.000 0.822 325 A HN 0.539 nan 8.150 nan 0.000 0.447 326 E N -0.584 119.661 120.200 0.076 0.000 2.077 326 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 326 E C 1.987 178.617 176.600 0.049 0.000 0.989 326 E CA 1.326 57.757 56.400 0.051 0.000 0.800 326 E CB -0.318 29.388 29.700 0.010 0.000 0.746 326 E HN 0.731 nan 8.360 nan 0.000 0.452 327 I N 0.635 121.225 120.570 0.035 0.000 2.202 327 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 327 I C 2.381 178.524 176.117 0.043 0.000 1.091 327 I CA 0.860 62.162 61.300 0.003 0.000 1.368 327 I CB -0.274 37.691 38.000 -0.057 0.000 1.058 327 I HN 0.054 nan 8.210 nan 0.000 0.410 328 F N 1.836 121.769 119.950 -0.029 0.000 2.065 328 F HA -0.286 4.241 4.527 -0.001 0.000 0.298 328 F C 2.210 178.010 175.800 0.000 0.000 1.112 328 F CA 1.846 59.842 58.000 -0.007 0.000 1.212 328 F CB -0.399 38.627 39.000 0.043 0.000 0.975 328 F HN -0.109 nan 8.300 nan 0.000 0.476 329 L N 0.475 121.727 121.223 0.049 0.000 2.042 329 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 329 L C 2.664 179.457 176.870 -0.128 0.000 1.076 329 L CA 1.849 56.642 54.840 -0.078 0.000 0.749 329 L CB -0.827 41.282 42.059 0.082 0.000 0.893 329 L HN 0.164 nan 8.230 nan 0.000 0.432 330 K N 0.044 120.400 120.400 -0.073 0.000 2.283 330 K HA -0.135 4.184 4.320 -0.001 0.000 0.202 330 K C 1.444 177.989 176.600 -0.092 0.000 1.048 330 K CA 1.028 57.278 56.287 -0.063 0.000 0.948 330 K CB 0.032 32.508 32.500 -0.039 0.000 0.742 330 K HN 0.446 nan 8.250 nan 0.000 0.458 331 N N 0.512 119.123 118.700 -0.148 0.000 2.373 331 N HA 0.030 4.770 4.740 -0.001 0.000 0.181 331 N C 0.089 175.497 175.510 -0.169 0.000 1.082 331 N CA -0.030 52.936 53.050 -0.140 0.000 0.885 331 N CB 0.349 38.760 38.487 -0.125 0.000 0.977 331 N HN 0.080 nan 8.380 nan 0.000 0.462 332 L N 1.524 122.593 121.223 -0.257 0.000 2.578 332 L HA -0.087 4.252 4.340 -0.001 0.000 0.279 332 L C 1.361 178.196 176.870 -0.058 0.000 1.227 332 L CA 0.547 55.271 54.840 -0.194 0.000 0.900 332 L CB 0.537 42.465 42.059 -0.218 0.000 1.144 332 L HN -0.119 nan 8.230 nan 0.000 0.496 333 K N 2.022 122.417 120.400 -0.008 0.000 2.399 333 K HA 0.224 4.543 4.320 -0.001 0.000 0.196 333 K C 1.161 177.789 176.600 0.046 0.000 1.103 333 K CA 0.123 56.418 56.287 0.013 0.000 0.986 333 K CB 0.480 32.983 32.500 0.006 0.000 0.952 333 K HN 0.528 nan 8.250 nan 0.000 0.541 334 L N -0.660 120.624 121.223 0.102 0.000 2.488 334 L HA 0.332 4.671 4.340 -0.001 0.000 0.186 334 L C -0.299 176.633 176.870 0.103 0.000 1.124 334 L CA 0.071 54.970 54.840 0.098 0.000 0.838 334 L CB 0.220 42.346 42.059 0.113 0.000 1.107 334 L HN -0.021 nan 8.230 nan 0.000 0.494 335 F N 1.385 121.326 119.950 -0.015 0.000 2.635 335 F HA -0.055 4.472 4.527 -0.001 0.000 0.379 335 F C 0.656 176.448 175.800 -0.012 0.000 1.094 335 F CA 0.631 58.630 58.000 -0.001 0.000 1.300 335 F CB 0.054 39.056 39.000 0.004 0.000 1.035 335 F HN -0.025 nan 8.300 nan 0.000 0.581 336 T N 4.977 119.612 114.554 0.135 0.000 2.859 336 T HA 0.384 4.733 4.350 -0.001 0.000 0.281 336 T C -0.661 174.095 174.700 0.094 0.000 1.005 336 T CA -0.642 61.507 62.100 0.082 0.000 1.025 336 T CB 1.368 70.258 68.868 0.036 0.000 0.977 336 T HN 0.341 nan 8.240 nan 0.000 0.458 337 L N 3.824 125.087 121.223 0.067 0.000 2.325 337 L HA 0.652 4.991 4.340 -0.001 0.000 0.284 337 L C -0.080 176.819 176.870 0.049 0.000 1.089 337 L CA 0.269 55.147 54.840 0.063 0.000 0.836 337 L CB -1.207 40.877 42.059 0.042 0.000 1.184 337 L HN 0.900 nan 8.230 nan 0.000 0.444 338 A N 4.115 126.968 122.820 0.055 0.000 2.566 338 A HA 0.462 4.781 4.320 -0.001 0.000 0.290 338 A C 0.199 177.810 177.584 0.045 0.000 1.071 338 A CA -0.478 51.582 52.037 0.038 0.000 0.658 338 A CB 0.659 19.671 19.000 0.019 0.000 1.285 338 A HN 0.634 nan 8.150 nan 0.000 0.427 339 E N -0.094 120.127 120.200 0.036 0.000 2.415 339 E HA 0.111 4.461 4.350 -0.001 0.000 0.197 339 E C 1.045 177.671 176.600 0.044 0.000 1.007 339 E CA 0.548 56.980 56.400 0.053 0.000 0.890 339 E CB 0.476 30.211 29.700 0.058 0.000 0.891 339 E HN 0.546 nan 8.360 nan 0.000 0.496 340 S N -0.285 115.415 115.700 -0.000 0.000 2.481 340 S HA 0.533 5.002 4.470 -0.001 0.000 0.267 340 S C -0.373 174.184 174.600 -0.072 0.000 1.174 340 S CA -0.504 57.675 58.200 -0.035 0.000 1.027 340 S CB 0.351 63.508 63.200 -0.072 0.000 1.117 340 S HN 0.177 nan 8.310 nan 0.000 0.495 341 L N -4.396 116.729 121.223 -0.164 0.000 2.892 341 L HA 0.780 5.119 4.340 -0.001 0.000 0.269 341 L C 0.340 176.925 176.870 -0.477 0.000 1.058 341 L CA -0.136 54.533 54.840 -0.284 0.000 0.923 341 L CB 0.737 42.619 42.059 -0.295 0.000 1.518 341 L HN 0.888 nan 8.230 nan 0.000 0.402 342 G N -1.301 107.049 108.800 -0.750 0.000 2.159 342 G HA2 0.046 4.005 3.960 -0.001 0.000 0.256 342 G HA3 0.046 4.005 3.960 -0.001 0.000 0.256 342 G C 0.365 174.926 174.900 -0.565 0.000 0.977 342 G CA 0.346 44.694 45.100 -1.254 0.000 0.652 342 G HN 1.418 nan 8.290 nan 0.000 0.531 343 G N -0.598 107.978 108.800 -0.373 0.000 2.537 343 G HA2 0.651 4.611 3.960 -0.001 0.000 0.297 343 G HA3 0.651 4.611 3.960 -0.001 0.000 0.297 343 G C 0.825 175.632 174.900 -0.154 0.000 1.310 343 G CA -0.262 44.618 45.100 -0.367 0.000 1.027 343 G HN 0.686 nan 8.290 nan 0.000 0.505 344 F N -0.918 119.002 119.950 -0.051 0.000 2.502 344 F HA 0.214 4.741 4.527 -0.001 0.000 0.298 344 F C 0.997 176.765 175.800 -0.054 0.000 1.111 344 F CA 0.158 58.121 58.000 -0.063 0.000 1.445 344 F CB -0.284 38.620 39.000 -0.161 0.000 1.081 344 F HN 0.431 nan 8.300 nan 0.000 0.558 345 E N 0.633 120.856 120.200 0.039 0.000 2.227 345 E HA 0.480 4.830 4.350 -0.001 0.000 0.268 345 E C -0.969 175.564 176.600 -0.111 0.000 0.907 345 E CA -1.105 55.306 56.400 0.019 0.000 0.786 345 E CB 1.722 31.464 29.700 0.071 0.000 1.191 345 E HN -0.052 nan 8.360 nan 0.000 0.411 346 S N 1.964 117.526 115.700 -0.229 0.000 2.545 346 S HA 0.336 4.805 4.470 -0.001 0.000 0.275 346 S C -0.177 174.294 174.600 -0.216 0.000 1.299 346 S CA -0.540 57.422 58.200 -0.396 0.000 1.048 346 S CB 0.158 62.702 63.200 -1.094 0.000 0.938 346 S HN 0.343 nan 8.310 nan 0.000 0.496 347 L N 2.069 123.279 121.223 -0.021 0.000 2.381 347 L HA 0.835 5.174 4.340 -0.001 0.000 0.268 347 L C -0.198 176.844 176.870 0.286 0.000 0.997 347 L CA -0.863 54.042 54.840 0.108 0.000 0.818 347 L CB 1.889 43.964 42.059 0.026 0.000 1.310 347 L HN 0.683 nan 8.230 nan 0.000 0.416 348 A N 2.107 125.090 122.820 0.272 0.000 2.386 348 A HA 0.832 5.151 4.320 -0.001 0.000 0.311 348 A C -1.076 176.612 177.584 0.173 0.000 1.068 348 A CA -0.404 51.801 52.037 0.279 0.000 0.743 348 A CB 2.261 21.425 19.000 0.274 0.000 1.258 348 A HN 0.735 nan 8.150 nan 0.000 0.429 349 E N 1.085 121.374 120.200 0.149 0.000 2.412 349 E HA 0.432 4.781 4.350 -0.001 0.000 0.279 349 E C -2.291 174.349 176.600 0.066 0.000 0.984 349 E CA -0.688 55.775 56.400 0.105 0.000 0.788 349 E CB 1.880 31.646 29.700 0.110 0.000 1.277 349 E HN 0.536 nan 8.360 nan 0.000 0.455 350 L N 5.126 126.381 121.223 0.053 0.000 2.387 350 L HA 0.389 4.729 4.340 -0.001 0.000 0.259 350 L C -2.227 174.662 176.870 0.031 0.000 1.050 350 L CA -2.158 52.691 54.840 0.016 0.000 0.922 350 L CB 1.082 43.152 42.059 0.019 0.000 1.280 350 L HN 0.371 nan 8.230 nan 0.000 0.449 351 P HA -0.268 nan 4.420 nan 0.000 0.217 351 P C 1.534 178.878 177.300 0.073 0.000 1.162 351 P CA 2.383 65.531 63.100 0.080 0.000 0.901 351 P CB 0.261 31.941 31.700 -0.034 0.000 0.793 352 A N -0.118 122.712 122.820 0.016 0.000 1.903 352 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 352 A C 2.126 179.729 177.584 0.033 0.000 1.191 352 A CA 2.480 54.529 52.037 0.020 0.000 0.638 352 A CB -1.686 17.315 19.000 0.002 0.000 0.823 352 A HN 0.412 nan 8.150 nan 0.000 0.451 353 I N -5.731 114.857 120.570 0.030 0.000 3.941 353 I HA 0.280 4.449 4.170 -0.001 0.000 0.321 353 I C 1.729 177.865 176.117 0.033 0.000 1.284 353 I CA 0.393 61.709 61.300 0.026 0.000 1.226 353 I CB 0.142 38.153 38.000 0.018 0.000 1.045 353 I HN 0.268 nan 8.210 nan 0.000 0.420 354 M N 0.538 120.167 119.600 0.049 0.000 2.586 354 M HA 0.151 4.630 4.480 -0.001 0.000 0.150 354 M C 1.987 178.323 176.300 0.061 0.000 1.550 354 M CA 0.617 55.949 55.300 0.054 0.000 1.553 354 M CB 0.148 32.786 32.600 0.063 0.000 0.785 354 M HN -0.108 nan 8.290 nan 0.000 0.609 355 T N -0.364 114.249 114.554 0.098 0.000 2.778 355 T HA -0.184 4.166 4.350 -0.001 0.000 0.269 355 T C 0.439 175.113 174.700 -0.045 0.000 1.050 355 T CA 1.642 63.795 62.100 0.088 0.000 1.137 355 T CB -0.320 68.668 68.868 0.199 0.000 0.860 355 T HN 0.269 nan 8.240 nan 0.000 0.468 356 H N -0.547 118.523 119.070 -0.001 0.000 2.507 356 H HA 0.614 5.169 4.556 -0.001 0.000 0.281 356 H C 1.295 176.597 175.328 -0.043 0.000 1.160 356 H CA 0.025 56.049 56.048 -0.041 0.000 0.981 356 H CB 0.054 29.804 29.762 -0.021 0.000 1.665 356 H HN 0.257 nan 8.280 nan 0.000 0.554 357 A N 0.139 122.969 122.820 0.015 0.000 2.067 357 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 357 A C 1.551 179.122 177.584 -0.022 0.000 1.158 357 A CA 0.770 52.808 52.037 0.002 0.000 0.661 357 A CB -0.201 18.796 19.000 -0.005 0.000 0.801 357 A HN 0.478 nan 8.150 nan 0.000 0.452 362 N N 1.467 120.153 118.700 -0.025 0.000 2.055 362 N HA -0.228 4.511 4.740 -0.001 0.000 0.200 362 N C 0.657 176.148 175.510 -0.031 0.000 1.037 362 N CA 2.297 55.332 53.050 -0.025 0.000 0.881 362 N CB -0.318 38.153 38.487 -0.027 0.000 1.075 362 N HN 0.266 nan 8.380 nan 0.000 0.470 363 D N 0.145 120.515 120.400 -0.051 0.000 2.203 363 D HA -0.193 4.447 4.640 -0.001 0.000 0.199 363 D C 1.960 178.232 176.300 -0.045 0.000 0.997 363 D CA 0.925 54.886 54.000 -0.065 0.000 0.863 363 D CB -0.241 40.483 40.800 -0.127 0.000 0.928 363 D HN 0.457 nan 8.370 nan 0.000 0.458 364 R N 0.559 121.038 120.500 -0.036 0.000 2.200 364 R HA -0.063 4.277 4.340 -0.001 0.000 0.208 364 R C 1.132 177.427 176.300 -0.008 0.000 1.033 364 R CA 0.899 56.986 56.100 -0.022 0.000 1.000 364 R CB 0.189 30.481 30.300 -0.014 0.000 0.906 364 R HN -0.086 nan 8.270 nan 0.000 0.462 365 D N 0.459 120.855 120.400 -0.006 0.000 2.123 365 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 365 D C 1.961 178.264 176.300 0.005 0.000 0.976 365 D CA 1.051 55.053 54.000 0.004 0.000 0.831 365 D CB -0.048 40.753 40.800 0.000 0.000 0.974 365 D HN 0.061 nan 8.370 nan 0.000 0.469 366 V N 1.168 121.080 119.914 -0.002 0.000 2.343 366 V HA -0.195 3.925 4.120 -0.001 0.000 0.247 366 V C 2.472 178.571 176.094 0.008 0.000 1.051 366 V CA 1.153 63.453 62.300 0.000 0.000 1.036 366 V CB -0.353 31.467 31.823 -0.005 0.000 0.654 366 V HN 0.200 nan 8.190 nan 0.000 0.451 367 L N 0.183 121.409 121.223 0.006 0.000 2.465 367 L HA 0.152 4.492 4.340 -0.001 0.000 0.224 367 L C 1.623 178.514 176.870 0.036 0.000 1.145 367 L CA 0.914 55.763 54.840 0.014 0.000 0.834 367 L CB -0.654 41.403 42.059 -0.003 0.000 0.944 367 L HN 0.579 nan 8.230 nan 0.000 0.451 368 G N 1.036 109.863 108.800 0.044 0.000 2.212 368 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.255 368 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.255 368 G C 0.101 175.073 174.900 0.121 0.000 1.062 368 G CA -0.229 44.930 45.100 0.099 0.000 0.815 368 G HN 0.335 nan 8.290 nan 0.000 0.497 369 I N 2.619 123.211 120.570 0.036 0.000 2.243 369 I HA 0.300 4.470 4.170 -0.001 0.000 0.289 369 I C 1.200 177.325 176.117 0.013 0.000 1.140 369 I CA 0.129 61.420 61.300 -0.015 0.000 1.289 369 I CB 0.161 38.113 38.000 -0.079 0.000 1.498 369 I HN 0.373 nan 8.210 nan 0.000 0.561 370 S N 1.584 117.321 115.700 0.062 0.000 2.719 370 S HA 0.290 4.759 4.470 -0.001 0.000 0.285 370 S C 0.876 175.494 174.600 0.030 0.000 1.137 370 S CA -0.772 57.467 58.200 0.065 0.000 1.012 370 S CB 1.214 64.490 63.200 0.127 0.000 1.134 370 S HN 0.432 nan 8.310 nan 0.000 0.544 371 D N 0.807 121.227 120.400 0.034 0.000 2.263 371 D HA -0.035 4.604 4.640 -0.001 0.000 0.208 371 D C 1.451 177.755 176.300 0.007 0.000 0.971 371 D CA 1.343 55.354 54.000 0.018 0.000 0.867 371 D CB -0.705 40.112 40.800 0.029 0.000 0.929 371 D HN 0.632 nan 8.370 nan 0.000 0.492 372 T N 0.782 115.361 114.554 0.041 0.000 3.067 372 T HA 0.003 4.353 4.350 -0.001 0.000 0.257 372 T C 0.764 175.400 174.700 -0.107 0.000 1.105 372 T CA -0.286 61.843 62.100 0.050 0.000 1.104 372 T CB 0.184 69.170 68.868 0.198 0.000 0.925 372 T HN 0.012 nan 8.240 nan 0.000 0.498 373 L N 2.340 123.438 121.223 -0.209 0.000 2.290 373 L HA 0.549 4.888 4.340 -0.001 0.000 0.284 373 L C -0.822 175.768 176.870 -0.466 0.000 1.078 373 L CA -1.141 53.357 54.840 -0.571 0.000 0.815 373 L CB -0.381 41.314 42.059 -0.606 0.000 1.162 373 L HN 0.061 nan 8.230 nan 0.000 0.435 374 I N 5.319 125.500 120.570 -0.647 0.000 2.465 374 I HA 0.460 4.629 4.170 -0.001 0.000 0.291 374 I C -0.059 175.892 176.117 -0.277 0.000 1.014 374 I CA -0.561 60.445 61.300 -0.490 0.000 1.093 374 I CB 1.767 39.319 38.000 -0.745 0.000 1.267 374 I HN 0.606 nan 8.210 nan 0.000 0.431 375 R N 6.986 127.449 120.500 -0.061 0.000 2.229 375 R HA 0.610 4.949 4.340 -0.001 0.000 0.332 375 R C -1.532 174.866 176.300 0.163 0.000 0.989 375 R CA -0.445 55.699 56.100 0.074 0.000 0.842 375 R CB 0.712 31.078 30.300 0.110 0.000 1.119 375 R HN 0.623 nan 8.270 nan 0.000 0.456 376 L N 2.824 124.188 121.223 0.234 0.000 2.309 376 L HA 0.339 4.678 4.340 -0.001 0.000 0.282 376 L C 0.008 177.013 176.870 0.224 0.000 1.036 376 L CA -0.631 54.398 54.840 0.315 0.000 0.806 376 L CB 2.004 44.311 42.059 0.413 0.000 1.220 376 L HN 0.600 nan 8.230 nan 0.000 0.429 377 S N 2.650 118.462 115.700 0.186 0.000 2.505 377 S HA 0.346 4.815 4.470 -0.001 0.000 0.280 377 S C -0.330 174.321 174.600 0.084 0.000 1.197 377 S CA -0.559 57.678 58.200 0.061 0.000 1.138 377 S CB 0.364 63.525 63.200 -0.066 0.000 1.010 377 S HN 0.301 nan 8.310 nan 0.000 0.480 378 V N 5.197 125.205 119.914 0.156 0.000 2.572 378 V HA 0.411 4.530 4.120 -0.001 0.000 0.291 378 V C 1.394 177.593 176.094 0.175 0.000 1.039 378 V CA 0.499 62.872 62.300 0.121 0.000 1.055 378 V CB 0.853 32.790 31.823 0.191 0.000 0.969 378 V HN 0.872 nan 8.190 nan 0.000 0.482 379 G N 3.578 112.397 108.800 0.032 0.000 2.849 379 G HA2 0.476 4.435 3.960 -0.001 0.000 0.174 379 G HA3 0.476 4.435 3.960 -0.001 0.000 0.174 379 G C 0.311 175.211 174.900 -0.001 0.000 1.370 379 G CA -0.675 44.500 45.100 0.125 0.000 1.040 379 G HN 0.590 nan 8.290 nan 0.000 0.582 380 L N 0.157 121.343 121.223 -0.062 0.000 2.769 380 L HA 0.272 4.611 4.340 -0.001 0.000 0.240 380 L C 0.381 177.196 176.870 -0.091 0.000 1.163 380 L CA -0.065 54.695 54.840 -0.134 0.000 0.962 380 L CB -0.034 41.928 42.059 -0.162 0.000 1.258 380 L HN 0.361 nan 8.230 nan 0.000 0.513 381 E N 0.216 120.368 120.200 -0.079 0.000 2.416 381 E HA 0.018 4.368 4.350 -0.001 0.000 0.254 381 E C -0.133 176.428 176.600 -0.064 0.000 1.241 381 E CA -0.088 56.267 56.400 -0.074 0.000 0.969 381 E CB 0.401 30.049 29.700 -0.086 0.000 0.999 381 E HN 0.013 nan 8.360 nan 0.000 0.481 382 D N 1.555 121.923 120.400 -0.053 0.000 2.417 382 D HA -0.084 4.556 4.640 -0.001 0.000 0.250 382 D C 0.912 177.189 176.300 -0.037 0.000 1.166 382 D CA 0.313 54.286 54.000 -0.044 0.000 0.881 382 D CB 0.865 41.643 40.800 -0.037 0.000 1.164 382 D HN 0.547 nan 8.370 nan 0.000 0.467 383 E N 2.818 122.997 120.200 -0.035 0.000 2.136 383 E HA -0.302 4.047 4.350 -0.001 0.000 0.202 383 E C 1.480 178.056 176.600 -0.041 0.000 1.019 383 E CA 1.437 57.819 56.400 -0.031 0.000 0.819 383 E CB 0.163 29.846 29.700 -0.029 0.000 0.739 383 E HN 0.593 nan 8.360 nan 0.000 0.458 384 E N -0.175 120.002 120.200 -0.039 0.000 2.110 384 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 384 E C 1.443 178.015 176.600 -0.047 0.000 0.988 384 E CA 1.508 57.881 56.400 -0.045 0.000 0.804 384 E CB 0.060 29.742 29.700 -0.030 0.000 0.745 384 E HN 0.297 nan 8.360 nan 0.000 0.458 385 D N 0.367 120.749 120.400 -0.028 0.000 2.162 385 D HA -0.080 4.560 4.640 -0.001 0.000 0.203 385 D C 2.146 178.456 176.300 0.017 0.000 0.967 385 D CA 0.581 54.574 54.000 -0.011 0.000 0.840 385 D CB -0.154 40.641 40.800 -0.010 0.000 0.972 385 D HN 0.246 nan 8.370 nan 0.000 0.482 386 L N 0.083 121.325 121.223 0.032 0.000 2.012 386 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 386 L C 2.242 179.154 176.870 0.071 0.000 1.073 386 L CA 0.639 55.577 54.840 0.163 0.000 0.748 386 L CB -0.354 41.787 42.059 0.137 0.000 0.891 386 L HN 0.067 nan 8.230 nan 0.000 0.431 387 L N -0.275 120.869 121.223 -0.133 0.000 2.056 387 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 387 L C 2.505 179.127 176.870 -0.412 0.000 1.078 387 L CA 1.589 56.153 54.840 -0.461 0.000 0.749 387 L CB -0.750 41.032 42.059 -0.461 0.000 0.901 387 L HN 0.194 nan 8.230 nan 0.000 0.433 388 E N -0.714 119.380 120.200 -0.178 0.000 2.072 388 E HA -0.224 4.126 4.350 -0.001 0.000 0.191 388 E C 1.861 178.434 176.600 -0.045 0.000 0.985 388 E CA 1.053 57.399 56.400 -0.090 0.000 0.801 388 E CB -0.014 29.664 29.700 -0.038 0.000 0.750 388 E HN 0.366 nan 8.360 nan 0.000 0.452 389 D N -0.256 120.137 120.400 -0.013 0.000 2.104 389 D HA -0.169 4.471 4.640 -0.001 0.000 0.194 389 D C 1.828 178.094 176.300 -0.056 0.000 0.994 389 D CA 1.069 55.074 54.000 0.009 0.000 0.830 389 D CB -0.105 40.776 40.800 0.135 0.000 0.959 389 D HN 0.175 nan 8.370 nan 0.000 0.452 390 L N -0.044 121.119 121.223 -0.100 0.000 2.083 390 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 390 L C 2.175 179.161 176.870 0.194 0.000 1.083 390 L CA 1.371 56.206 54.840 -0.007 0.000 0.752 390 L CB -0.440 41.592 42.059 -0.044 0.000 0.899 390 L HN 0.084 nan 8.230 nan 0.000 0.433 391 D N -0.544 119.942 120.400 0.143 0.000 2.077 391 D HA -0.259 4.380 4.640 -0.001 0.000 0.193 391 D C 2.205 178.645 176.300 0.234 0.000 0.989 391 D CA 1.258 55.446 54.000 0.314 0.000 0.831 391 D CB -0.103 40.830 40.800 0.221 0.000 0.979 391 D HN 0.163 nan 8.370 nan 0.000 0.449 392 Q N 0.419 120.295 119.800 0.126 0.000 2.082 392 Q HA -0.274 4.065 4.340 -0.001 0.000 0.211 392 Q C 2.032 178.070 176.000 0.065 0.000 1.002 392 Q CA 2.396 58.249 55.803 0.082 0.000 0.868 392 Q CB -0.611 28.148 28.738 0.035 0.000 0.931 392 Q HN 0.336 nan 8.270 nan 0.000 0.414 393 A N 0.749 123.590 122.820 0.035 0.000 1.898 393 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 393 A C 2.361 180.055 177.584 0.182 0.000 1.181 393 A CA 1.197 53.223 52.037 -0.020 0.000 0.620 393 A CB -0.655 18.135 19.000 -0.349 0.000 0.819 393 A HN 0.435 nan 8.150 nan 0.000 0.442 394 L N -0.657 120.770 121.223 0.339 0.000 2.083 394 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 394 L C 2.563 179.334 176.870 -0.164 0.000 1.083 394 L CA 1.526 56.512 54.840 0.244 0.000 0.752 394 L CB -0.361 41.946 42.059 0.413 0.000 0.899 394 L HN 0.353 nan 8.230 nan 0.000 0.433 395 K N -0.175 120.228 120.400 0.006 0.000 2.097 395 K HA -0.114 4.205 4.320 -0.001 0.000 0.205 395 K C 2.198 178.757 176.600 -0.068 0.000 1.050 395 K CA 1.221 57.493 56.287 -0.025 0.000 0.938 395 K CB -0.148 32.450 32.500 0.163 0.000 0.718 395 K HN 0.286 nan 8.250 nan 0.000 0.442 396 A N 1.241 124.027 122.820 -0.057 0.000 1.930 396 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 396 A C 2.261 179.676 177.584 -0.281 0.000 1.175 396 A CA 1.710 53.693 52.037 -0.090 0.000 0.627 396 A CB -0.392 18.573 19.000 -0.060 0.000 0.815 396 A HN 0.319 nan 8.150 nan 0.000 0.443 397 A N -0.080 122.580 122.820 -0.267 0.000 2.016 397 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 397 A C 1.065 178.323 177.584 -0.543 0.000 1.162 397 A CA 0.711 52.572 52.037 -0.293 0.000 0.662 397 A CB -0.994 17.983 19.000 -0.038 0.000 0.812 397 A HN 1.069 nan 8.150 nan 0.000 0.450 398 H N -1.224 117.509 119.070 -0.561 0.000 1.914 398 H HA -0.112 4.443 4.556 -0.001 0.000 0.328 398 H C -2.292 172.674 175.328 -0.603 0.000 0.872 398 H CA -0.046 55.345 56.048 -1.095 0.000 1.078 398 H CB -1.865 27.438 29.762 -0.765 0.000 1.570 398 H HN 0.266 nan 8.280 nan 0.000 0.315 399 P HA 0.036 nan 4.420 nan 0.000 0.270 399 P C -2.117 175.208 177.300 0.042 0.000 1.221 399 P CA -0.961 61.946 63.100 -0.321 0.000 0.788 399 P CB 0.060 31.592 31.700 -0.280 0.000 0.904 400 P HA -0.018 nan 4.420 nan 0.000 0.262 400 P C -1.614 175.776 177.300 0.151 0.000 1.199 400 P CA 0.482 63.647 63.100 0.107 0.000 0.763 400 P CB 0.918 32.647 31.700 0.048 0.000 0.790 401 S N 0.000 115.821 115.700 0.202 0.000 2.498 401 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 401 S CA 0.000 58.262 58.200 0.104 0.000 1.107 401 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 401 S HN 0.000 nan 8.310 nan 0.000 0.517