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 2dkf_1_B DATA FIRST_RESID 2 DATA SEQUENCE RIVPFGAARE VTGSAHLLLA GGRRVLLDCG XFQGKEEARN HAPFGFDPKE DATA SEQUENCE VDAVLLTHAH LDHVGRLPKL FREGYRGPVY ATRATVLLXE IVLEDALKVX DATA SEQUENCE DEPFFGPEDV EEALGHLRPL EYGEWLRLGA LSLAFGQAGH LPGSAFVVAQ DATA SEQUENCE GEGRTLVYSG DLGNREKDVL PDPSLPPLAD LVLAEGTYGD RPHRPYRETV DATA SEQUENCE REFLEILEKT LSQGGKVLIP TFAVERAQEI LYVLYTHGHR LPRAPIYLDS DATA SEQUENCE PXAGRVLSLY PRLVRYFSEE VQAHFLQGKN PFRPAGLEVV EHTEASKALN DATA SEQUENCE RAPGPXVVLA GSGXLAGGRI LHHLKHGLSD PRNALVFVGY QPQGGLGAEI DATA SEQUENCE IARPPAVRIL GEEVPLRASV HTLGGFSGHA GQDELLDWLQ GEPRVVLVHG DATA SEQUENCE EEEKLLALGK LLALRGQEVS LARFGEGVPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.262 176.300 -0.064 0.000 0.893 2 R CA 0.000 56.073 56.100 -0.046 0.000 0.921 2 R CB 0.000 30.271 30.300 -0.049 0.000 0.687 3 I N 2.762 123.281 120.570 -0.084 0.000 2.418 3 I HA 0.343 4.511 4.170 -0.003 0.000 0.287 3 I C -0.997 175.019 176.117 -0.169 0.000 1.008 3 I CA -0.855 60.377 61.300 -0.113 0.000 1.104 3 I CB 2.025 39.962 38.000 -0.104 0.000 1.264 3 I HN 0.538 nan 8.210 nan 0.000 0.438 4 V N 9.763 129.535 119.914 -0.237 0.000 2.350 4 V HA 0.377 4.495 4.120 -0.003 0.000 0.276 4 V C -2.271 173.502 176.094 -0.535 0.000 1.028 4 V CA -1.753 60.284 62.300 -0.438 0.000 0.860 4 V CB 1.157 32.600 31.823 -0.632 0.000 0.990 4 V HN 0.615 nan 8.190 nan 0.000 0.453 5 P HA 0.316 nan 4.420 nan 0.000 0.276 5 P C -0.565 176.371 177.300 -0.606 0.000 1.230 5 P CA 0.014 63.011 63.100 -0.172 0.000 0.776 5 P CB 0.341 32.033 31.700 -0.013 0.000 0.888 6 F N 2.096 121.921 119.950 -0.208 0.000 2.733 6 F HA 0.534 5.059 4.527 -0.003 0.000 0.380 6 F C 0.767 176.779 175.800 0.352 0.000 1.324 6 F CA -0.015 57.883 58.000 -0.170 0.000 1.178 6 F CB 0.629 39.606 39.000 -0.039 0.000 1.093 6 F HN 0.450 nan 8.300 nan 0.000 0.512 7 G N -1.127 107.944 108.800 0.453 0.000 2.339 7 G HA2 0.527 4.485 3.960 -0.003 0.000 0.302 7 G HA3 0.527 4.485 3.960 -0.003 0.000 0.302 7 G C 0.246 175.283 174.900 0.229 0.000 1.425 7 G CA -0.188 45.156 45.100 0.406 0.000 0.899 7 G HN 0.850 nan 8.290 nan 0.000 0.619 8 A N -1.988 120.966 122.820 0.224 0.000 3.420 8 A HA 0.197 4.516 4.320 -0.003 0.000 0.269 8 A C 1.550 179.255 177.584 0.201 0.000 1.122 8 A CA 2.277 54.410 52.037 0.160 0.000 1.023 8 A CB -1.668 17.432 19.000 0.167 0.000 1.099 8 A HN 2.706 nan 8.150 nan 0.000 0.860 9 A N -0.707 122.260 122.820 0.244 0.000 2.454 9 A HA 0.531 4.849 4.320 -0.003 0.000 0.260 9 A C 1.402 179.067 177.584 0.135 0.000 1.106 9 A CA 0.636 52.789 52.037 0.193 0.000 0.780 9 A CB 0.056 19.191 19.000 0.225 0.000 1.044 9 A HN 1.172 nan 8.150 nan 0.000 0.498 10 R N -0.680 119.877 120.500 0.095 0.000 4.010 10 R HA -0.208 4.130 4.340 -0.003 0.000 0.409 10 R C 0.124 176.449 176.300 0.042 0.000 1.120 10 R CA 2.128 58.263 56.100 0.058 0.000 1.244 10 R CB -2.134 28.196 30.300 0.050 0.000 1.799 10 R HN 1.094 nan 8.270 nan 0.000 0.559 11 E N -1.419 118.814 120.200 0.056 0.000 2.429 11 E HA 0.423 4.771 4.350 -0.003 0.000 0.276 11 E C 0.620 177.205 176.600 -0.025 0.000 0.953 11 E CA -0.306 56.109 56.400 0.025 0.000 0.787 11 E CB 1.602 31.336 29.700 0.057 0.000 1.307 11 E HN -0.083 nan 8.360 nan 0.000 0.458 12 V N -1.266 118.582 119.914 -0.109 0.000 3.623 12 V HA 0.172 4.290 4.120 -0.003 0.000 0.271 12 V C 0.218 176.050 176.094 -0.438 0.000 1.248 12 V CA 1.301 63.395 62.300 -0.344 0.000 1.156 12 V CB -1.078 30.555 31.823 -0.315 0.000 0.870 12 V HN 0.746 nan 8.190 nan 0.000 0.453 13 T N -4.663 109.794 114.554 -0.162 0.000 2.864 13 T HA 0.711 5.059 4.350 -0.003 0.000 0.289 13 T C 0.913 175.485 174.700 -0.213 0.000 1.082 13 T CA 0.096 62.104 62.100 -0.154 0.000 1.009 13 T CB 1.292 70.145 68.868 -0.025 0.000 1.234 13 T HN 1.496 nan 8.240 nan 0.000 0.526 14 G N 0.672 109.167 108.800 -0.509 0.000 2.159 14 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.256 14 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.256 14 G C 0.220 174.753 174.900 -0.612 0.000 0.977 14 G CA 0.005 44.431 45.100 -1.123 0.000 0.652 14 G HN 1.322 nan 8.290 nan 0.000 0.531 15 S N 0.310 115.780 115.700 -0.384 0.000 3.116 15 S HA 0.369 4.838 4.470 -0.003 0.000 0.367 15 S C 0.536 174.935 174.600 -0.334 0.000 1.202 15 S CA 1.073 59.112 58.200 -0.269 0.000 1.018 15 S CB 0.661 63.694 63.200 -0.279 0.000 0.726 15 S HN 2.069 nan 8.310 nan 0.000 0.506 16 A N 3.905 126.342 122.820 -0.638 0.000 2.549 16 A HA 0.565 4.883 4.320 -0.003 0.000 0.306 16 A C -1.297 175.818 177.584 -0.781 0.000 1.053 16 A CA -0.919 50.833 52.037 -0.474 0.000 0.892 16 A CB 0.753 19.655 19.000 -0.163 0.000 1.329 16 A HN 0.869 nan 8.150 nan 0.000 0.388 17 H N 1.064 120.049 119.070 -0.142 0.000 2.782 17 H HA 0.585 5.139 4.556 -0.003 0.000 0.347 17 H C -0.707 174.485 175.328 -0.228 0.000 1.038 17 H CA -0.591 55.331 56.048 -0.210 0.000 1.255 17 H CB 1.823 31.377 29.762 -0.346 0.000 1.623 17 H HN 0.643 nan 8.280 nan 0.000 0.525 18 L N 3.340 124.481 121.223 -0.137 0.000 2.305 18 L HA 0.388 4.726 4.340 -0.003 0.000 0.281 18 L C -1.105 175.678 176.870 -0.144 0.000 1.085 18 L CA -0.565 54.148 54.840 -0.211 0.000 0.813 18 L CB 0.610 42.538 42.059 -0.219 0.000 1.157 18 L HN 0.633 nan 8.230 nan 0.000 0.436 19 L N 5.997 127.148 121.223 -0.119 0.000 2.313 19 L HA 0.587 4.925 4.340 -0.003 0.000 0.283 19 L C -1.428 175.405 176.870 -0.062 0.000 1.013 19 L CA -0.168 54.626 54.840 -0.076 0.000 0.816 19 L CB 1.217 43.250 42.059 -0.043 0.000 1.236 19 L HN 0.578 nan 8.230 nan 0.000 0.419 20 L N 6.444 127.638 121.223 -0.049 0.000 2.318 20 L HA 0.940 5.278 4.340 -0.003 0.000 0.277 20 L C -0.258 176.600 176.870 -0.020 0.000 1.008 20 L CA -0.167 54.654 54.840 -0.032 0.000 0.846 20 L CB 1.224 43.266 42.059 -0.028 0.000 1.220 20 L HN 0.837 nan 8.230 nan 0.000 0.423 21 A N 1.521 124.334 122.820 -0.012 0.000 2.544 21 A HA 0.657 4.975 4.320 -0.003 0.000 0.291 21 A C 0.539 178.123 177.584 -0.000 0.000 1.055 21 A CA -0.017 52.017 52.037 -0.005 0.000 0.651 21 A CB 0.762 19.761 19.000 -0.001 0.000 1.296 21 A HN 0.877 nan 8.150 nan 0.000 0.431 22 G N -0.992 107.809 108.800 0.001 0.000 2.225 22 G HA2 0.120 4.078 3.960 -0.003 0.000 0.272 22 G HA3 0.120 4.078 3.960 -0.003 0.000 0.272 22 G C 1.697 176.599 174.900 0.004 0.000 0.996 22 G CA 2.059 47.161 45.100 0.002 0.000 0.710 22 G HN 2.941 nan 8.290 nan 0.000 0.522 23 G N -1.520 107.282 108.800 0.004 0.000 2.358 23 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.224 23 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.224 23 G C 0.840 175.746 174.900 0.010 0.000 1.073 23 G CA 1.045 46.149 45.100 0.007 0.000 0.635 23 G HN 0.921 nan 8.290 nan 0.000 0.509 24 R N 0.572 121.078 120.500 0.010 0.000 2.517 24 R HA 0.788 5.126 4.340 -0.003 0.000 0.250 24 R C 0.388 176.690 176.300 0.003 0.000 1.213 24 R CA -0.391 55.718 56.100 0.014 0.000 1.146 24 R CB 0.018 30.331 30.300 0.022 0.000 1.279 24 R HN 0.547 nan 8.270 nan 0.000 0.597 25 R N 0.055 120.554 120.500 -0.002 0.000 2.539 25 R HA 0.344 4.682 4.340 -0.003 0.000 0.295 25 R C -0.691 175.576 176.300 -0.054 0.000 1.138 25 R CA -0.671 55.410 56.100 -0.031 0.000 0.936 25 R CB 1.665 31.946 30.300 -0.031 0.000 1.182 25 R HN 0.467 nan 8.270 nan 0.000 0.459 26 V N 0.916 120.793 119.914 -0.061 0.000 2.667 26 V HA 0.593 4.712 4.120 -0.003 0.000 0.308 26 V C -0.352 175.667 176.094 -0.125 0.000 1.048 26 V CA -0.989 61.270 62.300 -0.069 0.000 0.928 26 V CB 1.962 33.779 31.823 -0.011 0.000 1.004 26 V HN 0.702 nan 8.190 nan 0.000 0.444 27 L N 4.623 125.744 121.223 -0.168 0.000 2.272 27 L HA 0.472 4.810 4.340 -0.003 0.000 0.289 27 L C -1.048 175.783 176.870 -0.065 0.000 1.032 27 L CA -0.833 53.879 54.840 -0.214 0.000 0.810 27 L CB 1.492 43.339 42.059 -0.353 0.000 1.205 27 L HN 0.651 nan 8.230 nan 0.000 0.422 28 L N 5.411 126.623 121.223 -0.019 0.000 2.302 28 L HA 0.389 4.727 4.340 -0.003 0.000 0.285 28 L C -0.355 176.621 176.870 0.177 0.000 1.090 28 L CA 0.376 55.297 54.840 0.135 0.000 0.866 28 L CB -0.398 41.729 42.059 0.113 0.000 1.244 28 L HN 0.610 nan 8.230 nan 0.000 0.435 29 D N 1.152 121.675 120.400 0.204 0.000 10.639 29 D HA -0.233 4.405 4.640 -0.003 0.000 0.356 29 D C -0.442 175.875 176.300 0.028 0.000 3.104 29 D CA 0.217 54.332 54.000 0.192 0.000 2.568 29 D CB -0.280 40.740 40.800 0.366 0.000 1.215 29 D HN 0.571 nan 8.370 nan 0.000 0.959 30 C N 1.935 121.244 119.300 0.015 0.000 2.945 30 C HA 0.561 5.019 4.460 -0.003 0.000 0.216 30 C C 0.772 175.739 174.990 -0.039 0.000 1.319 30 C CA 0.341 59.332 59.018 -0.044 0.000 1.036 30 C CB -0.746 26.969 27.740 -0.042 0.000 1.871 30 C HN 0.668 nan 8.230 nan 0.000 0.660 34 Q N 0.901 120.829 119.800 0.213 0.000 2.340 34 Q HA 0.690 5.028 4.340 -0.003 0.000 0.276 34 Q C 0.024 176.093 176.000 0.115 0.000 1.048 34 Q CA -0.473 55.419 55.803 0.148 0.000 0.832 34 Q CB 3.186 31.989 28.738 0.109 0.000 1.373 34 Q HN 1.075 nan 8.270 nan 0.000 0.409 35 G N 1.901 110.760 108.800 0.099 0.000 2.952 35 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.226 35 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.226 35 G C 0.380 175.310 174.900 0.052 0.000 1.462 35 G CA 0.204 45.346 45.100 0.070 0.000 1.157 35 G HN 0.491 nan 8.290 nan 0.000 0.544 36 K N 0.882 121.298 120.400 0.028 0.000 2.078 36 K HA 0.213 4.531 4.320 -0.003 0.000 0.203 36 K C 1.886 178.467 176.600 -0.032 0.000 1.043 36 K CA 1.592 57.878 56.287 -0.002 0.000 0.960 36 K CB -0.772 31.718 32.500 -0.017 0.000 0.761 36 K HN 0.484 nan 8.250 nan 0.000 0.448 37 E N 1.847 122.010 120.200 -0.062 0.000 2.169 37 E HA -0.208 4.141 4.350 -0.003 0.000 0.202 37 E C 0.255 176.764 176.600 -0.152 0.000 1.016 37 E CA 0.744 57.030 56.400 -0.191 0.000 0.817 37 E CB -0.520 28.994 29.700 -0.310 0.000 0.736 37 E HN 0.467 nan 8.360 nan 0.000 0.462 38 E N -0.684 119.517 120.200 0.001 0.000 3.492 38 E HA -0.176 4.173 4.350 -0.003 0.000 0.314 38 E C 0.573 177.199 176.600 0.044 0.000 0.866 38 E CA 1.515 57.959 56.400 0.073 0.000 1.014 38 E CB 0.068 29.830 29.700 0.103 0.000 1.033 38 E HN 0.285 nan 8.360 nan 0.000 0.505 39 A N 2.970 125.862 122.820 0.121 0.000 3.797 39 A HA -0.305 4.013 4.320 -0.003 0.000 0.251 39 A C 1.487 179.135 177.584 0.106 0.000 0.963 39 A CA 1.414 53.605 52.037 0.257 0.000 1.494 39 A CB -1.591 17.474 19.000 0.107 0.000 0.978 39 A HN 0.746 nan 8.150 nan 0.000 0.821 40 R N 0.191 120.635 120.500 -0.094 0.000 2.189 40 R HA -0.085 4.254 4.340 -0.003 0.000 0.223 40 R C 1.611 177.835 176.300 -0.125 0.000 1.092 40 R CA 1.426 57.394 56.100 -0.219 0.000 0.989 40 R CB -0.468 29.447 30.300 -0.643 0.000 0.876 40 R HN 0.853 nan 8.270 nan 0.000 0.457 41 N N -0.173 118.431 118.700 -0.160 0.000 2.334 41 N HA -0.177 4.561 4.740 -0.003 0.000 0.187 41 N C 1.040 176.115 175.510 -0.725 0.000 1.016 41 N CA 1.085 53.786 53.050 -0.581 0.000 0.879 41 N CB -0.083 37.674 38.487 -1.217 0.000 0.965 41 N HN 0.419 nan 8.380 nan 0.000 0.438 42 H N -0.136 118.732 119.070 -0.337 0.000 2.465 42 H HA 0.326 4.880 4.556 -0.003 0.000 0.289 42 H C 0.647 175.839 175.328 -0.226 0.000 1.022 42 H CA 0.337 56.255 56.048 -0.217 0.000 1.340 42 H CB 0.150 29.853 29.762 -0.098 0.000 1.437 42 H HN 0.117 nan 8.280 nan 0.000 0.539 43 A N 3.087 125.843 122.820 -0.107 0.000 2.477 43 A HA 0.194 4.512 4.320 -0.003 0.000 0.246 43 A C -1.818 175.606 177.584 -0.266 0.000 1.078 43 A CA -1.235 50.711 52.037 -0.152 0.000 0.770 43 A CB -0.136 18.778 19.000 -0.144 0.000 1.011 43 A HN 0.142 nan 8.150 nan 0.000 0.494 44 P HA 0.028 nan 4.420 nan 0.000 0.269 44 P C -0.672 176.400 177.300 -0.379 0.000 1.211 44 P CA 0.217 63.079 63.100 -0.398 0.000 0.781 44 P CB 0.178 31.736 31.700 -0.236 0.000 0.877 45 F N -0.292 119.428 119.950 -0.384 0.000 2.484 45 F HA 0.250 4.775 4.527 -0.003 0.000 0.360 45 F C 2.093 177.517 175.800 -0.627 0.000 1.101 45 F CA 0.259 57.862 58.000 -0.662 0.000 1.251 45 F CB -0.514 37.512 39.000 -1.623 0.000 1.132 45 F HN 0.388 nan 8.300 nan 0.000 0.570 46 G N 2.572 111.200 108.800 -0.287 0.000 2.780 46 G HA2 0.030 3.988 3.960 -0.003 0.000 0.205 46 G HA3 0.030 3.988 3.960 -0.003 0.000 0.205 46 G C -0.186 174.604 174.900 -0.184 0.000 1.158 46 G CA 0.405 45.422 45.100 -0.139 0.000 0.812 46 G HN 0.513 nan 8.290 nan 0.000 0.521 47 F N -2.425 117.284 119.950 -0.402 0.000 2.726 47 F HA 0.642 5.167 4.527 -0.003 0.000 0.324 47 F C -1.202 174.554 175.800 -0.073 0.000 1.140 47 F CA -2.872 54.999 58.000 -0.215 0.000 0.964 47 F CB 0.982 39.800 39.000 -0.305 0.000 1.399 47 F HN -0.144 nan 8.300 nan 0.000 0.491 48 D N 2.407 122.860 120.400 0.090 0.000 2.467 48 D HA 0.389 5.027 4.640 -0.003 0.000 0.220 48 D C -1.730 174.626 176.300 0.094 0.000 1.103 48 D CA -2.581 51.439 54.000 0.033 0.000 0.886 48 D CB 1.027 41.862 40.800 0.058 0.000 1.025 48 D HN 0.265 nan 8.370 nan 0.000 0.514 49 P HA -0.158 nan 4.420 nan 0.000 0.231 49 P C 0.299 177.663 177.300 0.106 0.000 1.154 49 P CA 0.793 63.922 63.100 0.048 0.000 0.762 49 P CB 0.204 31.920 31.700 0.027 0.000 0.790 50 K N -0.584 119.874 120.400 0.095 0.000 2.352 50 K HA 0.064 4.382 4.320 -0.003 0.000 0.194 50 K C 1.634 178.294 176.600 0.099 0.000 1.038 50 K CA 0.298 56.641 56.287 0.094 0.000 1.023 50 K CB 0.301 32.834 32.500 0.055 0.000 0.840 50 K HN 0.042 nan 8.250 nan 0.000 0.519 51 E N 0.803 121.060 120.200 0.095 0.000 2.400 51 E HA 0.030 4.378 4.350 -0.003 0.000 0.195 51 E C 0.381 177.024 176.600 0.071 0.000 1.012 51 E CA 0.153 56.601 56.400 0.079 0.000 0.875 51 E CB 0.258 30.002 29.700 0.074 0.000 0.859 51 E HN -0.056 nan 8.360 nan 0.000 0.498 52 V N 3.144 123.092 119.914 0.058 0.000 2.694 52 V HA -0.091 4.027 4.120 -0.003 0.000 0.306 52 V C 1.175 177.316 176.094 0.078 0.000 1.054 52 V CA 0.791 63.065 62.300 -0.043 0.000 1.161 52 V CB 0.724 32.369 31.823 -0.297 0.000 0.916 52 V HN 0.094 nan 8.190 nan 0.000 0.490 53 D N 2.514 122.949 120.400 0.058 0.000 2.392 53 D HA 0.421 5.060 4.640 -0.003 0.000 0.206 53 D C 0.404 176.830 176.300 0.210 0.000 1.046 53 D CA 1.076 55.160 54.000 0.141 0.000 0.865 53 D CB 1.219 42.070 40.800 0.085 0.000 0.969 53 D HN 0.697 nan 8.370 nan 0.000 0.509 54 A N -0.052 122.846 122.820 0.130 0.000 2.549 54 A HA 0.478 4.797 4.320 -0.003 0.000 0.291 54 A C -1.929 175.676 177.584 0.034 0.000 1.034 54 A CA -0.562 51.601 52.037 0.211 0.000 0.655 54 A CB 1.334 20.521 19.000 0.313 0.000 1.299 54 A HN -0.035 nan 8.150 nan 0.000 0.427 55 V N 1.141 121.123 119.914 0.112 0.000 2.760 55 V HA 0.798 4.917 4.120 -0.003 0.000 0.309 55 V C -1.903 174.318 176.094 0.212 0.000 1.077 55 V CA -0.651 61.677 62.300 0.046 0.000 0.910 55 V CB 1.513 33.282 31.823 -0.090 0.000 1.008 55 V HN 1.000 nan 8.190 nan 0.000 0.424 56 L N 6.505 127.858 121.223 0.216 0.000 2.334 56 L HA 0.697 5.036 4.340 -0.003 0.000 0.276 56 L C -0.762 176.296 176.870 0.313 0.000 1.014 56 L CA -0.510 54.531 54.840 0.335 0.000 0.815 56 L CB 1.732 43.991 42.059 0.334 0.000 1.268 56 L HN 0.518 nan 8.230 nan 0.000 0.428 57 L N 2.037 123.450 121.223 0.316 0.000 2.319 57 L HA 0.484 4.823 4.340 -0.003 0.000 0.281 57 L C 0.121 177.005 176.870 0.025 0.000 1.005 57 L CA -0.425 54.519 54.840 0.172 0.000 0.828 57 L CB 1.470 43.589 42.059 0.099 0.000 1.227 57 L HN 0.728 nan 8.230 nan 0.000 0.415 58 T N 1.792 116.375 114.554 0.048 0.000 2.780 58 T HA 0.477 4.825 4.350 -0.003 0.000 0.294 58 T C 0.346 175.069 174.700 0.039 0.000 0.949 58 T CA -0.319 61.722 62.100 -0.098 0.000 1.074 58 T CB 0.426 69.270 68.868 -0.039 0.000 0.910 58 T HN 0.786 nan 8.240 nan 0.000 0.501 59 H N 1.968 120.849 119.070 -0.316 0.000 2.852 59 H HA -0.283 4.271 4.556 -0.003 0.000 0.317 59 H C 0.127 175.349 175.328 -0.177 0.000 1.057 59 H CA 0.153 56.040 56.048 -0.269 0.000 1.161 59 H CB -1.167 28.435 29.762 -0.266 0.000 1.020 59 H HN 1.094 nan 8.280 nan 0.000 0.751 60 A N 1.548 124.236 122.820 -0.220 0.000 2.460 60 A HA 0.152 4.470 4.320 -0.003 0.000 0.258 60 A C 0.661 178.163 177.584 -0.137 0.000 1.300 60 A CA 0.119 52.037 52.037 -0.199 0.000 0.913 60 A CB -0.462 18.458 19.000 -0.134 0.000 1.031 60 A HN 0.719 nan 8.150 nan 0.000 0.512 61 H N -1.016 117.893 119.070 -0.269 0.000 2.822 61 H HA 0.043 4.597 4.556 -0.003 0.000 0.373 61 H C 1.269 176.592 175.328 -0.009 0.000 1.223 61 H CA -0.596 55.413 56.048 -0.065 0.000 1.436 61 H CB 0.675 30.484 29.762 0.078 0.000 1.439 61 H HN 0.131 nan 8.280 nan 0.000 0.618 62 L N 1.382 122.711 121.223 0.177 0.000 2.129 62 L HA -0.158 4.180 4.340 -0.003 0.000 0.212 62 L C 0.589 177.511 176.870 0.087 0.000 1.087 62 L CA 1.557 56.463 54.840 0.110 0.000 0.757 62 L CB -1.130 40.987 42.059 0.096 0.000 0.896 62 L HN 0.725 nan 8.230 nan 0.000 0.434 63 D N -2.649 117.809 120.400 0.097 0.000 2.440 63 D HA 0.073 4.712 4.640 -0.003 0.000 0.269 63 D C 1.193 177.512 176.300 0.031 0.000 1.249 63 D CA -0.389 53.589 54.000 -0.036 0.000 1.055 63 D CB -0.090 40.609 40.800 -0.168 0.000 1.104 63 D HN 0.204 nan 8.370 nan 0.000 0.561 64 H N -2.236 116.836 119.070 0.004 0.000 5.117 64 H HA -0.213 4.341 4.556 -0.003 0.000 0.093 64 H C 1.170 176.485 175.328 -0.021 0.000 0.582 64 H CA 1.823 57.877 56.048 0.010 0.000 1.162 64 H CB -1.082 28.635 29.762 -0.075 0.000 0.636 64 H HN 0.274 nan 8.280 nan 0.000 0.609 65 V N 0.494 120.449 119.914 0.069 0.000 3.480 65 V HA 0.301 4.419 4.120 -0.003 0.000 0.263 65 V C 2.248 178.346 176.094 0.008 0.000 1.442 65 V CA 1.523 63.840 62.300 0.029 0.000 1.053 65 V CB 0.521 32.347 31.823 0.005 0.000 0.846 65 V HN 0.534 nan 8.190 nan 0.000 0.440 66 G N 0.490 109.309 108.800 0.031 0.000 2.549 66 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.222 66 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.222 66 G C 1.470 176.445 174.900 0.125 0.000 1.100 66 G CA 0.945 46.091 45.100 0.075 0.000 0.739 66 G HN 0.505 nan 8.290 nan 0.000 0.577 67 R N -1.025 119.530 120.500 0.092 0.000 2.508 67 R HA 0.284 4.622 4.340 -0.003 0.000 0.300 67 R C 1.786 178.165 176.300 0.132 0.000 0.970 67 R CA -0.425 55.781 56.100 0.176 0.000 1.102 67 R CB 0.078 30.503 30.300 0.210 0.000 1.246 67 R HN 0.308 nan 8.270 nan 0.000 0.539 68 L N 2.746 123.988 121.223 0.032 0.000 2.017 68 L HA -0.055 4.283 4.340 -0.003 0.000 0.208 68 L C -0.977 175.982 176.870 0.149 0.000 1.073 68 L CA 2.073 56.964 54.840 0.086 0.000 0.745 68 L CB -0.705 41.393 42.059 0.065 0.000 0.894 68 L HN 0.002 nan 8.230 nan 0.000 0.432 69 P HA -0.280 nan 4.420 nan 0.000 0.215 69 P C 1.458 178.841 177.300 0.139 0.000 1.157 69 P CA 1.865 64.887 63.100 -0.129 0.000 0.868 69 P CB -0.232 31.022 31.700 -0.744 0.000 0.788 70 K N -0.298 120.196 120.400 0.156 0.000 2.113 70 K HA -0.195 4.123 4.320 -0.003 0.000 0.208 70 K C 2.236 179.067 176.600 0.384 0.000 1.047 70 K CA 1.226 57.732 56.287 0.365 0.000 0.928 70 K CB -0.711 32.035 32.500 0.410 0.000 0.716 70 K HN -0.049 nan 8.250 nan 0.000 0.446 71 L N 0.771 122.246 121.223 0.419 0.000 1.990 71 L HA -0.189 4.149 4.340 -0.003 0.000 0.213 71 L C 2.062 179.075 176.870 0.238 0.000 1.072 71 L CA 1.849 56.880 54.840 0.319 0.000 0.755 71 L CB -0.632 41.456 42.059 0.048 0.000 0.889 71 L HN 0.161 nan 8.230 nan 0.000 0.432 72 F N -0.182 119.868 119.950 0.167 0.000 2.102 72 F HA -0.211 4.315 4.527 -0.003 0.000 0.298 72 F C 2.759 178.618 175.800 0.100 0.000 1.105 72 F CA 1.932 59.994 58.000 0.104 0.000 1.239 72 F CB -0.751 38.265 39.000 0.027 0.000 0.991 72 F HN 0.108 nan 8.300 nan 0.000 0.474 73 R N 1.105 121.796 120.500 0.317 0.000 2.133 73 R HA -0.241 4.097 4.340 -0.003 0.000 0.245 73 R C 1.501 177.897 176.300 0.160 0.000 1.137 73 R CA 2.335 58.568 56.100 0.222 0.000 0.947 73 R CB -0.599 29.841 30.300 0.233 0.000 0.865 73 R HN 0.361 nan 8.270 nan 0.000 0.437 74 E N -1.154 119.143 120.200 0.162 0.000 2.485 74 E HA 0.033 4.381 4.350 -0.003 0.000 0.194 74 E C 0.839 177.492 176.600 0.088 0.000 1.098 74 E CA 0.407 56.872 56.400 0.108 0.000 0.878 74 E CB 0.487 30.248 29.700 0.102 0.000 0.939 74 E HN 0.760 nan 8.360 nan 0.000 0.503 75 G N 1.144 109.992 108.800 0.079 0.000 2.796 75 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.198 75 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.198 75 G C -0.054 174.834 174.900 -0.019 0.000 1.062 75 G CA -0.376 44.747 45.100 0.038 0.000 0.752 75 G HN 0.382 nan 8.290 nan 0.000 0.487 76 Y N 2.889 123.071 120.300 -0.197 0.000 2.810 76 Y HA 0.422 4.970 4.550 -0.003 0.000 0.332 76 Y C 1.151 176.711 175.900 -0.568 0.000 1.243 76 Y CA 0.440 58.306 58.100 -0.390 0.000 1.537 76 Y CB 0.496 38.626 38.460 -0.550 0.000 1.265 76 Y HN 0.115 nan 8.280 nan 0.000 0.572 77 R N 4.716 124.572 120.500 -1.073 0.000 2.615 77 R HA 0.227 4.565 4.340 -0.003 0.000 0.448 77 R C 0.272 176.037 176.300 -0.893 0.000 1.009 77 R CA 0.250 55.843 56.100 -0.846 0.000 1.111 77 R CB 0.631 30.752 30.300 -0.299 0.000 1.461 77 R HN 0.877 nan 8.270 nan 0.000 0.587 78 G N 1.549 109.366 108.800 -1.637 0.000 2.531 78 G HA2 0.441 4.399 3.960 -0.003 0.000 0.281 78 G HA3 0.441 4.399 3.960 -0.003 0.000 0.281 78 G C -2.465 172.304 174.900 -0.219 0.000 1.382 78 G CA -0.904 43.777 45.100 -0.698 0.000 1.045 78 G HN -0.106 nan 8.290 nan 0.000 0.533 79 P HA 0.417 nan 4.420 nan 0.000 0.276 79 P C -1.047 176.277 177.300 0.041 0.000 1.261 79 P CA -0.357 62.753 63.100 0.015 0.000 0.800 79 P CB 1.836 33.431 31.700 -0.176 0.000 1.066 80 V N 1.387 121.195 119.914 -0.177 0.000 2.567 80 V HA 0.254 4.372 4.120 -0.003 0.000 0.298 80 V C -0.906 175.065 176.094 -0.205 0.000 1.047 80 V CA -0.484 61.800 62.300 -0.027 0.000 0.880 80 V CB 0.970 32.905 31.823 0.187 0.000 1.009 80 V HN 0.390 nan 8.190 nan 0.000 0.429 81 Y N 2.887 123.274 120.300 0.145 0.000 2.342 81 Y HA 0.859 5.407 4.550 -0.003 0.000 0.334 81 Y C 0.498 176.531 175.900 0.222 0.000 1.067 81 Y CA -0.261 57.918 58.100 0.133 0.000 1.128 81 Y CB 1.994 40.486 38.460 0.053 0.000 1.200 81 Y HN 0.844 nan 8.280 nan 0.000 0.464 82 A N 0.715 123.739 122.820 0.339 0.000 2.586 82 A HA 0.635 4.953 4.320 -0.003 0.000 0.290 82 A C -0.358 177.293 177.584 0.110 0.000 1.086 82 A CA -0.736 51.433 52.037 0.220 0.000 0.665 82 A CB 0.370 19.401 19.000 0.051 0.000 1.279 82 A HN 0.679 nan 8.150 nan 0.000 0.423 83 T N -1.230 113.271 114.554 -0.088 0.000 2.766 83 T HA 0.385 4.733 4.350 -0.003 0.000 0.295 83 T C 1.111 175.739 174.700 -0.121 0.000 1.024 83 T CA 0.305 62.327 62.100 -0.130 0.000 1.018 83 T CB 0.629 69.302 68.868 -0.325 0.000 1.002 83 T HN 0.707 nan 8.240 nan 0.000 0.532 84 R N 0.679 121.145 120.500 -0.056 0.000 2.066 84 R HA 0.071 4.409 4.340 -0.003 0.000 0.232 84 R C 2.782 178.935 176.300 -0.244 0.000 1.131 84 R CA 1.725 57.784 56.100 -0.069 0.000 0.955 84 R CB -1.273 29.063 30.300 0.060 0.000 0.851 84 R HN 0.859 nan 8.270 nan 0.000 0.432 85 A N -0.751 121.705 122.820 -0.607 0.000 1.917 85 A HA -0.230 4.088 4.320 -0.003 0.000 0.219 85 A C 2.213 179.534 177.584 -0.438 0.000 1.182 85 A CA 2.338 53.910 52.037 -0.775 0.000 0.633 85 A CB -1.120 16.949 19.000 -1.552 0.000 0.819 85 A HN 0.441 nan 8.150 nan 0.000 0.448 86 T N -0.643 113.684 114.554 -0.378 0.000 2.701 86 T HA -0.097 4.251 4.350 -0.003 0.000 0.263 86 T C 1.914 176.517 174.700 -0.162 0.000 1.040 86 T CA 1.499 63.451 62.100 -0.245 0.000 1.147 86 T CB -0.464 68.269 68.868 -0.226 0.000 0.865 86 T HN 0.146 nan 8.240 nan 0.000 0.426 87 V N 1.799 121.633 119.914 -0.132 0.000 2.278 87 V HA -0.193 3.925 4.120 -0.003 0.000 0.251 87 V C 2.509 178.554 176.094 -0.082 0.000 1.062 87 V CA 1.683 63.933 62.300 -0.084 0.000 1.038 87 V CB -0.674 31.112 31.823 -0.062 0.000 0.646 87 V HN 0.452 nan 8.190 nan 0.000 0.447 88 L N -1.267 119.897 121.223 -0.098 0.000 2.083 88 L HA -0.074 4.265 4.340 -0.003 0.000 0.209 88 L C 1.344 178.175 176.870 -0.066 0.000 1.083 88 L CA 0.827 55.622 54.840 -0.075 0.000 0.752 88 L CB -0.312 41.700 42.059 -0.078 0.000 0.899 88 L HN 0.265 nan 8.230 nan 0.000 0.433 92 I N 2.074 122.638 120.570 -0.010 0.000 2.151 92 I HA -0.241 3.927 4.170 -0.003 0.000 0.243 92 I C 2.397 178.522 176.117 0.012 0.000 1.080 92 I CA 1.754 63.053 61.300 -0.001 0.000 1.339 92 I CB -0.211 37.787 38.000 -0.004 0.000 1.039 92 I HN 0.084 nan 8.210 nan 0.000 0.409 93 V N 0.723 120.645 119.914 0.014 0.000 2.548 93 V HA -0.203 3.916 4.120 -0.003 0.000 0.249 93 V C 2.164 178.282 176.094 0.041 0.000 1.055 93 V CA 1.305 63.625 62.300 0.033 0.000 1.065 93 V CB -0.228 31.616 31.823 0.035 0.000 0.681 93 V HN 0.390 nan 8.190 nan 0.000 0.462 94 L N -0.601 120.637 121.223 0.024 0.000 2.492 94 L HA 0.030 4.368 4.340 -0.003 0.000 0.223 94 L C 2.449 179.363 176.870 0.074 0.000 1.132 94 L CA 0.632 55.494 54.840 0.037 0.000 0.850 94 L CB -0.212 41.838 42.059 -0.015 0.000 0.966 94 L HN 0.383 nan 8.230 nan 0.000 0.454 95 E N -0.167 120.062 120.200 0.048 0.000 2.057 95 E HA -0.184 4.164 4.350 -0.003 0.000 0.190 95 E C 1.506 178.133 176.600 0.044 0.000 0.969 95 E CA 0.710 57.138 56.400 0.046 0.000 0.812 95 E CB -0.208 29.506 29.700 0.023 0.000 0.777 95 E HN 0.377 nan 8.360 nan 0.000 0.455 96 D N 1.371 121.794 120.400 0.038 0.000 2.126 96 D HA -0.209 4.430 4.640 -0.003 0.000 0.190 96 D C 1.833 178.159 176.300 0.043 0.000 1.001 96 D CA 1.883 55.905 54.000 0.036 0.000 0.841 96 D CB 0.121 40.945 40.800 0.040 0.000 0.949 96 D HN 0.068 nan 8.370 nan 0.000 0.446 97 A N 0.647 123.507 122.820 0.068 0.000 1.940 97 A HA -0.166 4.152 4.320 -0.003 0.000 0.219 97 A C 2.304 179.907 177.584 0.031 0.000 1.176 97 A CA 1.484 53.568 52.037 0.078 0.000 0.631 97 A CB -0.786 18.298 19.000 0.140 0.000 0.814 97 A HN 0.407 nan 8.150 nan 0.000 0.446 98 L N 0.320 121.576 121.223 0.055 0.000 2.046 98 L HA -0.126 4.213 4.340 -0.003 0.000 0.208 98 L C 2.290 179.111 176.870 -0.082 0.000 1.077 98 L CA 2.755 57.571 54.840 -0.040 0.000 0.747 98 L CB -0.486 41.606 42.059 0.054 0.000 0.896 98 L HN 0.518 nan 8.230 nan 0.000 0.432 99 K N -0.536 119.846 120.400 -0.029 0.000 2.366 99 K HA 0.028 4.346 4.320 -0.003 0.000 0.198 99 K C 0.475 177.061 176.600 -0.024 0.000 1.044 99 K CA 0.894 57.166 56.287 -0.026 0.000 0.973 99 K CB -0.007 32.489 32.500 -0.006 0.000 0.767 99 K HN 0.328 nan 8.250 nan 0.000 0.475 103 E N 0.294 120.495 120.200 0.001 0.000 2.246 103 E HA -0.140 4.209 4.350 -0.003 0.000 0.211 103 E C -2.427 174.235 176.600 0.103 0.000 1.278 103 E CA 0.245 56.673 56.400 0.047 0.000 0.694 103 E CB -0.837 28.899 29.700 0.060 0.000 1.166 103 E HN 0.191 nan 8.360 nan 0.000 0.370 104 P HA 0.276 nan 4.420 nan 0.000 0.293 104 P C -0.176 176.972 177.300 -0.254 0.000 1.291 104 P CA -0.620 62.316 63.100 -0.273 0.000 0.867 104 P CB 0.627 32.011 31.700 -0.526 0.000 1.074 105 F N 1.349 121.163 119.950 -0.227 0.000 2.368 105 F HA 0.557 5.082 4.527 -0.003 0.000 0.308 105 F C 0.547 176.198 175.800 -0.249 0.000 1.198 105 F CA -1.122 56.800 58.000 -0.131 0.000 1.130 105 F CB -0.607 38.310 39.000 -0.138 0.000 1.300 105 F HN 0.439 nan 8.300 nan 0.000 0.537 106 F N -1.728 118.296 119.950 0.123 0.000 1.910 106 F HA 0.117 4.643 4.527 -0.003 0.000 0.327 106 F C -0.183 175.607 175.800 -0.017 0.000 1.036 106 F CA -0.735 57.300 58.000 0.059 0.000 1.054 106 F CB -1.526 37.527 39.000 0.089 0.000 1.694 106 F HN 0.949 nan 8.300 nan 0.000 0.719 107 G N 2.418 111.291 108.800 0.122 0.000 2.552 107 G HA2 0.706 4.664 3.960 -0.003 0.000 0.318 107 G HA3 0.706 4.664 3.960 -0.003 0.000 0.318 107 G C -2.094 172.864 174.900 0.097 0.000 1.240 107 G CA -0.952 44.155 45.100 0.011 0.000 1.002 107 G HN 0.685 nan 8.290 nan 0.000 0.493 108 P HA -0.076 nan 4.420 nan 0.000 0.230 108 P C 1.075 178.413 177.300 0.064 0.000 1.158 108 P CA 0.990 64.124 63.100 0.056 0.000 0.769 108 P CB 0.345 32.053 31.700 0.013 0.000 0.807 109 E N 0.156 120.396 120.200 0.067 0.000 2.250 109 E HA -0.101 4.248 4.350 -0.003 0.000 0.192 109 E C 0.979 177.618 176.600 0.066 0.000 0.986 109 E CA 0.708 57.141 56.400 0.056 0.000 0.849 109 E CB -0.695 29.037 29.700 0.053 0.000 0.797 109 E HN 0.201 nan 8.360 nan 0.000 0.482 110 D N 1.561 122.032 120.400 0.118 0.000 2.120 110 D HA -0.054 4.584 4.640 -0.003 0.000 0.202 110 D C 2.283 178.591 176.300 0.013 0.000 0.972 110 D CA 0.875 54.943 54.000 0.114 0.000 0.837 110 D CB -0.188 40.753 40.800 0.235 0.000 0.989 110 D HN 0.031 nan 8.370 nan 0.000 0.469 111 V N 2.144 122.107 119.914 0.081 0.000 2.317 111 V HA -0.300 3.818 4.120 -0.003 0.000 0.251 111 V C 2.422 178.475 176.094 -0.069 0.000 1.065 111 V CA 2.515 64.812 62.300 -0.005 0.000 1.049 111 V CB -0.666 31.219 31.823 0.103 0.000 0.651 111 V HN 0.321 nan 8.190 nan 0.000 0.450 112 E N 0.187 120.365 120.200 -0.036 0.000 2.358 112 E HA -0.196 4.152 4.350 -0.003 0.000 0.195 112 E C 1.818 178.356 176.600 -0.104 0.000 1.010 112 E CA 1.237 57.602 56.400 -0.058 0.000 0.856 112 E CB -0.307 29.379 29.700 -0.024 0.000 0.795 112 E HN 0.619 nan 8.360 nan 0.000 0.504 113 E N 1.124 121.243 120.200 -0.135 0.000 2.076 113 E HA 0.024 4.372 4.350 -0.003 0.000 0.190 113 E C 1.904 178.150 176.600 -0.591 0.000 0.979 113 E CA 1.462 57.744 56.400 -0.198 0.000 0.807 113 E CB -0.437 29.204 29.700 -0.098 0.000 0.761 113 E HN 0.305 nan 8.360 nan 0.000 0.454 114 A N 0.500 122.833 122.820 -0.811 0.000 1.841 114 A HA -0.107 4.212 4.320 -0.003 0.000 0.214 114 A C 2.035 179.345 177.584 -0.456 0.000 1.195 114 A CA 1.452 52.816 52.037 -1.121 0.000 0.611 114 A CB -0.934 17.742 19.000 -0.539 0.000 0.835 114 A HN 0.317 nan 8.150 nan 0.000 0.443 115 L N 0.327 121.398 121.223 -0.254 0.000 2.197 115 L HA -0.176 4.162 4.340 -0.003 0.000 0.215 115 L C 2.576 179.372 176.870 -0.123 0.000 1.095 115 L CA 1.799 56.556 54.840 -0.140 0.000 0.764 115 L CB -1.251 40.747 42.059 -0.102 0.000 0.897 115 L HN 0.458 nan 8.230 nan 0.000 0.436 116 G N -2.581 106.132 108.800 -0.144 0.000 2.484 116 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.218 116 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.218 116 G C 1.376 176.133 174.900 -0.238 0.000 1.130 116 G CA 0.188 45.188 45.100 -0.165 0.000 0.784 116 G HN 0.506 nan 8.290 nan 0.000 0.543 117 H N -0.346 118.634 119.070 -0.150 0.000 2.539 117 H HA 0.256 4.810 4.556 -0.003 0.000 0.269 117 H C 0.505 175.796 175.328 -0.062 0.000 0.980 117 H CA -0.283 55.732 56.048 -0.055 0.000 1.152 117 H CB 0.464 30.293 29.762 0.111 0.000 1.407 117 H HN 0.195 nan 8.280 nan 0.000 0.564 118 L N 2.491 123.709 121.223 -0.007 0.000 2.462 118 L HA 0.104 4.442 4.340 -0.003 0.000 0.272 118 L C 0.461 177.288 176.870 -0.072 0.000 1.166 118 L CA 0.482 55.301 54.840 -0.034 0.000 0.880 118 L CB 0.404 42.443 42.059 -0.034 0.000 1.142 118 L HN -0.014 nan 8.230 nan 0.000 0.473 119 R N 3.803 124.233 120.500 -0.116 0.000 2.621 119 R HA 0.476 4.814 4.340 -0.003 0.000 0.292 119 R C -2.567 173.758 176.300 0.042 0.000 0.969 119 R CA -2.026 54.027 56.100 -0.078 0.000 0.887 119 R CB 2.083 32.268 30.300 -0.191 0.000 1.180 119 R HN 0.273 nan 8.270 nan 0.000 0.450 120 P HA 0.218 nan 4.420 nan 0.000 0.272 120 P C -1.097 176.307 177.300 0.172 0.000 1.230 120 P CA -0.432 62.731 63.100 0.106 0.000 0.788 120 P CB 0.576 32.312 31.700 0.060 0.000 0.949 121 L N 0.934 122.244 121.223 0.146 0.000 2.849 121 L HA 0.273 4.611 4.340 -0.003 0.000 0.256 121 L C -0.887 176.041 176.870 0.097 0.000 0.951 121 L CA -0.145 54.746 54.840 0.085 0.000 1.003 121 L CB 0.994 43.080 42.059 0.046 0.000 1.408 121 L HN 0.205 nan 8.230 nan 0.000 0.463 122 E N 2.319 122.519 120.200 -0.000 0.000 2.302 122 E HA 0.335 4.683 4.350 -0.003 0.000 0.255 122 E C -0.977 175.568 176.600 -0.091 0.000 1.099 122 E CA -0.659 55.694 56.400 -0.080 0.000 0.929 122 E CB 0.569 30.247 29.700 -0.037 0.000 1.203 122 E HN 0.422 nan 8.360 nan 0.000 0.459 123 Y N -0.021 120.296 120.300 0.028 0.000 2.717 123 Y HA 0.194 4.742 4.550 -0.003 0.000 0.330 123 Y C 1.700 177.529 175.900 -0.119 0.000 1.217 123 Y CA 1.396 59.464 58.100 -0.054 0.000 1.506 123 Y CB -0.022 38.382 38.460 -0.093 0.000 1.268 123 Y HN 0.783 nan 8.280 nan 0.000 0.561 124 G N 1.681 110.441 108.800 -0.068 0.000 2.184 124 G HA2 -0.288 3.671 3.960 -0.003 0.000 0.264 124 G HA3 -0.288 3.671 3.960 -0.003 0.000 0.264 124 G C -0.002 174.756 174.900 -0.237 0.000 0.975 124 G CA -0.011 44.994 45.100 -0.159 0.000 0.642 124 G HN 0.596 nan 8.290 nan 0.000 0.536 125 E N -0.602 119.443 120.200 -0.258 0.000 2.227 125 E HA 0.436 4.784 4.350 -0.003 0.000 0.282 125 E C -0.534 175.843 176.600 -0.372 0.000 1.015 125 E CA -0.829 55.455 56.400 -0.192 0.000 0.823 125 E CB 0.624 30.257 29.700 -0.113 0.000 1.081 125 E HN 0.337 nan 8.360 nan 0.000 0.396 126 W N 3.944 125.180 121.300 -0.106 0.000 2.361 126 W HA 0.320 4.978 4.660 -0.003 0.000 0.309 126 W C -0.518 175.901 176.519 -0.167 0.000 1.122 126 W CA -0.624 56.641 57.345 -0.134 0.000 1.208 126 W CB 0.628 30.035 29.460 -0.089 0.000 1.246 126 W HN 0.328 nan 8.180 nan 0.000 0.490 127 L N 4.754 125.945 121.223 -0.054 0.000 2.305 127 L HA 0.557 4.895 4.340 -0.003 0.000 0.284 127 L C -0.398 176.431 176.870 -0.069 0.000 1.013 127 L CA -0.855 53.884 54.840 -0.169 0.000 0.819 127 L CB 0.866 42.641 42.059 -0.474 0.000 1.227 127 L HN 0.421 nan 8.230 nan 0.000 0.417 128 R N 5.320 125.801 120.500 -0.032 0.000 2.338 128 R HA 0.539 4.877 4.340 -0.003 0.000 0.317 128 R C -1.281 175.008 176.300 -0.019 0.000 0.968 128 R CA -0.592 55.504 56.100 -0.007 0.000 0.849 128 R CB 0.893 31.196 30.300 0.005 0.000 1.128 128 R HN 0.823 nan 8.270 nan 0.000 0.448 129 L N 4.353 125.568 121.223 -0.013 0.000 2.709 129 L HA 0.331 4.669 4.340 -0.003 0.000 0.236 129 L C 0.324 177.199 176.870 0.008 0.000 1.266 129 L CA -0.512 54.330 54.840 0.002 0.000 0.987 129 L CB 1.422 43.483 42.059 0.003 0.000 1.306 129 L HN 0.971 nan 8.230 nan 0.000 0.467 130 G N 1.517 110.321 108.800 0.007 0.000 2.427 130 G HA2 -0.014 3.944 3.960 -0.003 0.000 0.189 130 G HA3 -0.014 3.944 3.960 -0.003 0.000 0.189 130 G C 0.918 175.819 174.900 0.001 0.000 0.418 130 G CA 0.228 45.331 45.100 0.005 0.000 0.950 130 G HN 1.188 nan 8.290 nan 0.000 0.372 131 A N 0.741 123.558 122.820 -0.005 0.000 1.475 131 A HA -0.165 4.153 4.320 -0.003 0.000 0.222 131 A C 1.203 178.785 177.584 -0.004 0.000 0.487 131 A CA 1.849 53.882 52.037 -0.007 0.000 1.107 131 A CB -1.476 17.522 19.000 -0.004 0.000 1.460 131 A HN 2.491 nan 8.150 nan 0.000 0.719 132 L N 1.672 122.898 121.223 0.004 0.000 2.452 132 L HA 0.652 4.990 4.340 -0.003 0.000 0.267 132 L C 0.207 177.093 176.870 0.027 0.000 1.188 132 L CA 1.022 55.871 54.840 0.015 0.000 0.821 132 L CB 1.163 43.230 42.059 0.012 0.000 1.102 132 L HN 0.768 nan 8.230 nan 0.000 0.470 133 S N 4.540 120.280 115.700 0.068 0.000 2.619 133 S HA 0.737 5.206 4.470 -0.003 0.000 0.280 133 S C -0.877 173.857 174.600 0.224 0.000 1.150 133 S CA -0.598 57.690 58.200 0.148 0.000 0.978 133 S CB 1.362 64.642 63.200 0.134 0.000 1.041 133 S HN 0.506 nan 8.310 nan 0.000 0.485 134 L N 1.903 123.207 121.223 0.135 0.000 2.333 134 L HA 1.020 5.358 4.340 -0.003 0.000 0.263 134 L C -0.267 176.388 176.870 -0.359 0.000 1.014 134 L CA -0.681 54.118 54.840 -0.068 0.000 0.820 134 L CB 1.985 43.937 42.059 -0.178 0.000 1.352 134 L HN 0.823 nan 8.230 nan 0.000 0.421 135 A N 0.866 123.330 122.820 -0.593 0.000 2.594 135 A HA 0.768 5.087 4.320 -0.003 0.000 0.296 135 A C -1.734 175.513 177.584 -0.561 0.000 1.061 135 A CA -0.452 51.052 52.037 -0.889 0.000 0.689 135 A CB 1.028 18.991 19.000 -1.727 0.000 1.280 135 A HN 0.324 nan 8.150 nan 0.000 0.406 136 F N 0.682 120.389 119.950 -0.406 0.000 2.399 136 F HA 0.724 5.249 4.527 -0.003 0.000 0.328 136 F C 1.081 176.654 175.800 -0.378 0.000 1.084 136 F CA -0.380 57.417 58.000 -0.337 0.000 1.053 136 F CB 2.075 40.888 39.000 -0.313 0.000 1.209 136 F HN 0.802 nan 8.300 nan 0.000 0.502 137 G N 0.511 109.027 108.800 -0.473 0.000 2.533 137 G HA2 0.448 4.406 3.960 -0.003 0.000 0.304 137 G HA3 0.448 4.406 3.960 -0.003 0.000 0.304 137 G C -1.579 172.915 174.900 -0.676 0.000 1.263 137 G CA -0.765 43.790 45.100 -0.908 0.000 0.964 137 G HN 0.412 nan 8.290 nan 0.000 0.479 138 Q N 0.330 119.855 119.800 -0.458 0.000 2.263 138 Q HA 0.464 4.803 4.340 -0.003 0.000 0.270 138 Q C 0.965 176.978 176.000 0.021 0.000 1.104 138 Q CA 0.687 56.264 55.803 -0.377 0.000 0.909 138 Q CB 0.978 29.466 28.738 -0.416 0.000 1.214 138 Q HN 0.604 nan 8.270 nan 0.000 0.400 139 A N 3.658 126.493 122.820 0.025 0.000 2.081 139 A HA 0.325 4.643 4.320 -0.003 0.000 0.214 139 A C 1.458 179.011 177.584 -0.051 0.000 1.158 139 A CA 0.620 52.697 52.037 0.067 0.000 0.724 139 A CB -0.514 18.455 19.000 -0.051 0.000 0.826 139 A HN 1.340 nan 8.150 nan 0.000 0.463 140 G N -1.219 107.537 108.800 -0.073 0.000 2.203 140 G HA2 -0.347 3.612 3.960 -0.003 0.000 0.263 140 G HA3 -0.347 3.612 3.960 -0.003 0.000 0.263 140 G C 0.671 175.524 174.900 -0.078 0.000 1.012 140 G CA 1.000 46.050 45.100 -0.083 0.000 0.749 140 G HN 0.802 nan 8.290 nan 0.000 0.512 141 H N -1.610 117.312 119.070 -0.246 0.000 2.506 141 H HA 0.502 5.057 4.556 -0.003 0.000 0.289 141 H C 0.331 175.501 175.328 -0.263 0.000 1.009 141 H CA 0.860 56.725 56.048 -0.305 0.000 1.303 141 H CB 0.411 29.884 29.762 -0.481 0.000 1.453 141 H HN 0.347 nan 8.280 nan 0.000 0.526 142 L N 1.098 122.129 121.223 -0.319 0.000 2.424 142 L HA 0.395 4.733 4.340 -0.003 0.000 0.258 142 L C -2.591 174.125 176.870 -0.257 0.000 0.995 142 L CA -2.207 52.432 54.840 -0.335 0.000 0.821 142 L CB 2.233 44.068 42.059 -0.374 0.000 1.383 142 L HN -0.074 nan 8.230 nan 0.000 0.410 143 P HA 0.252 nan 4.420 nan 0.000 0.258 143 P C 0.489 177.528 177.300 -0.435 0.000 1.187 143 P CA 1.212 64.050 63.100 -0.437 0.000 0.767 143 P CB 0.422 31.743 31.700 -0.632 0.000 0.770 144 G N 2.222 110.824 108.800 -0.331 0.000 2.194 144 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.236 144 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.236 144 G C 0.393 175.178 174.900 -0.192 0.000 0.987 144 G CA 0.128 45.015 45.100 -0.355 0.000 0.635 144 G HN 0.757 nan 8.290 nan 0.000 0.520 145 S N 0.154 115.780 115.700 -0.125 0.000 2.568 145 S HA 0.777 5.245 4.470 -0.003 0.000 0.282 145 S C 0.306 174.848 174.600 -0.096 0.000 1.338 145 S CA 1.089 59.200 58.200 -0.150 0.000 1.045 145 S CB 1.946 65.025 63.200 -0.203 0.000 0.873 145 S HN 2.128 nan 8.310 nan 0.000 0.516 146 A N 1.664 124.345 122.820 -0.233 0.000 2.602 146 A HA 0.801 5.119 4.320 -0.003 0.000 0.290 146 A C -0.756 176.744 177.584 -0.141 0.000 1.114 146 A CA -1.128 50.779 52.037 -0.217 0.000 0.683 146 A CB 0.754 19.394 19.000 -0.599 0.000 1.281 146 A HN 1.268 nan 8.150 nan 0.000 0.416 147 F N -0.953 118.966 119.950 -0.053 0.000 2.557 147 F HA 0.893 5.418 4.527 -0.003 0.000 0.336 147 F C -0.480 175.398 175.800 0.130 0.000 1.058 147 F CA -1.313 56.651 58.000 -0.059 0.000 0.988 147 F CB 1.145 40.186 39.000 0.069 0.000 1.275 147 F HN 0.322 nan 8.300 nan 0.000 0.488 148 V N 1.559 121.739 119.914 0.444 0.000 2.628 148 V HA 0.600 4.718 4.120 -0.003 0.000 0.306 148 V C -0.774 175.542 176.094 0.370 0.000 1.045 148 V CA -0.880 61.651 62.300 0.385 0.000 0.905 148 V CB 1.854 33.911 31.823 0.389 0.000 0.997 148 V HN 0.722 nan 8.190 nan 0.000 0.436 149 V N 3.189 123.226 119.914 0.204 0.000 2.407 149 V HA 0.803 4.921 4.120 -0.003 0.000 0.291 149 V C 0.099 176.264 176.094 0.119 0.000 1.018 149 V CA -0.476 61.933 62.300 0.181 0.000 0.842 149 V CB 1.551 33.461 31.823 0.145 0.000 0.996 149 V HN 1.002 nan 8.190 nan 0.000 0.426 150 A N 4.352 127.258 122.820 0.145 0.000 2.318 150 A HA 0.813 5.131 4.320 -0.003 0.000 0.317 150 A C -0.670 176.994 177.584 0.134 0.000 1.159 150 A CA -0.570 51.542 52.037 0.125 0.000 0.799 150 A CB 1.621 20.675 19.000 0.090 0.000 1.194 150 A HN 0.602 nan 8.150 nan 0.000 0.479 151 Q N 1.653 121.547 119.800 0.157 0.000 2.325 151 Q HA 0.660 4.998 4.340 -0.003 0.000 0.270 151 Q C -0.609 175.425 176.000 0.056 0.000 1.020 151 Q CA -0.118 55.751 55.803 0.110 0.000 0.785 151 Q CB 1.795 30.612 28.738 0.132 0.000 1.259 151 Q HN 1.368 nan 8.270 nan 0.000 0.452 152 G N 1.963 110.781 108.800 0.030 0.000 2.519 152 G HA2 0.333 4.291 3.960 -0.003 0.000 0.292 152 G HA3 0.333 4.291 3.960 -0.003 0.000 0.292 152 G C -1.148 173.755 174.900 0.004 0.000 1.507 152 G CA -0.533 44.573 45.100 0.011 0.000 0.806 152 G HN 0.620 nan 8.290 nan 0.000 0.523 153 E N -0.933 119.264 120.200 -0.004 0.000 2.476 153 E HA -0.215 4.133 4.350 -0.003 0.000 0.251 153 E C 1.358 177.955 176.600 -0.006 0.000 1.130 153 E CA 1.291 57.688 56.400 -0.006 0.000 0.736 153 E CB -1.255 28.443 29.700 -0.003 0.000 1.298 153 E HN 2.454 nan 8.360 nan 0.000 0.400 154 G N -0.151 108.644 108.800 -0.009 0.000 2.258 154 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.274 154 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.274 154 G C 0.157 175.055 174.900 -0.003 0.000 1.021 154 G CA 1.077 46.172 45.100 -0.009 0.000 0.798 154 G HN 0.176 nan 8.290 nan 0.000 0.507 155 R N -1.304 119.198 120.500 0.003 0.000 2.905 155 R HA 0.854 5.192 4.340 -0.003 0.000 0.260 155 R C -0.598 175.716 176.300 0.023 0.000 1.086 155 R CA -0.492 55.613 56.100 0.009 0.000 0.978 155 R CB 1.198 31.502 30.300 0.006 0.000 1.215 155 R HN 0.148 nan 8.270 nan 0.000 0.480 156 T N 1.366 115.937 114.554 0.028 0.000 3.293 156 T HA 0.373 4.721 4.350 -0.003 0.000 0.320 156 T C -1.191 173.538 174.700 0.049 0.000 0.995 156 T CA -0.558 61.571 62.100 0.048 0.000 1.041 156 T CB 1.383 70.280 68.868 0.047 0.000 1.058 156 T HN 0.351 nan 8.240 nan 0.000 0.453 157 L N 4.004 125.268 121.223 0.069 0.000 2.334 157 L HA 0.909 5.247 4.340 -0.003 0.000 0.276 157 L C -1.301 175.641 176.870 0.121 0.000 1.014 157 L CA -0.565 54.320 54.840 0.075 0.000 0.815 157 L CB 1.611 43.708 42.059 0.063 0.000 1.268 157 L HN 0.464 nan 8.230 nan 0.000 0.428 158 V N 5.500 125.491 119.914 0.128 0.000 2.409 158 V HA 0.280 4.398 4.120 -0.003 0.000 0.290 158 V C -1.100 175.151 176.094 0.262 0.000 1.017 158 V CA -0.441 61.973 62.300 0.191 0.000 0.841 158 V CB 1.259 33.139 31.823 0.095 0.000 1.003 158 V HN 0.720 nan 8.190 nan 0.000 0.426 159 Y N 4.576 124.977 120.300 0.168 0.000 2.367 159 Y HA 0.276 4.825 4.550 -0.003 0.000 0.342 159 Y C 1.624 177.639 175.900 0.192 0.000 0.979 159 Y CA -0.028 58.146 58.100 0.123 0.000 1.161 159 Y CB 1.820 40.343 38.460 0.105 0.000 1.155 159 Y HN 0.785 nan 8.280 nan 0.000 0.503 160 S N 4.264 119.975 115.700 0.018 0.000 2.399 160 S HA 0.100 4.568 4.470 -0.003 0.000 0.231 160 S C 1.296 175.585 174.600 -0.518 0.000 1.022 160 S CA 0.777 58.810 58.200 -0.279 0.000 0.983 160 S CB -0.812 62.157 63.200 -0.385 0.000 0.803 160 S HN 1.418 nan 8.310 nan 0.000 0.480 161 G N 1.250 109.531 108.800 -0.864 0.000 2.552 161 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.265 161 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.265 161 G C -0.982 173.635 174.900 -0.470 0.000 1.234 161 G CA 0.205 44.900 45.100 -0.675 0.000 0.944 161 G HN 0.607 nan 8.290 nan 0.000 0.568 162 D N -0.136 119.898 120.400 -0.611 0.000 2.168 162 D HA 0.584 5.222 4.640 -0.003 0.000 0.246 162 D C -0.163 175.733 176.300 -0.674 0.000 1.050 162 D CA -0.494 53.047 54.000 -0.764 0.000 0.857 162 D CB 1.417 41.400 40.800 -1.363 0.000 1.169 162 D HN 0.296 nan 8.370 nan 0.000 0.453 163 L N 2.544 123.444 121.223 -0.537 0.000 2.265 163 L HA 0.432 4.770 4.340 -0.003 0.000 0.289 163 L C 1.081 177.804 176.870 -0.246 0.000 1.033 163 L CA -0.214 54.358 54.840 -0.447 0.000 0.814 163 L CB 0.884 42.610 42.059 -0.555 0.000 1.203 163 L HN 0.436 nan 8.230 nan 0.000 0.423 164 G N 2.521 111.234 108.800 -0.146 0.000 2.712 164 G HA2 -0.044 3.914 3.960 -0.003 0.000 0.258 164 G HA3 -0.044 3.914 3.960 -0.003 0.000 0.258 164 G C 0.069 174.947 174.900 -0.035 0.000 1.241 164 G CA -0.485 44.595 45.100 -0.033 0.000 0.923 164 G HN 0.744 nan 8.290 nan 0.000 0.548 165 N N -0.502 118.184 118.700 -0.022 0.000 2.558 165 N HA 0.105 4.843 4.740 -0.003 0.000 0.233 165 N C 1.836 177.312 175.510 -0.058 0.000 1.038 165 N CA -0.564 52.477 53.050 -0.015 0.000 0.934 165 N CB 0.425 38.879 38.487 -0.056 0.000 1.175 165 N HN 0.616 nan 8.380 nan 0.000 0.512 166 R N 2.850 123.328 120.500 -0.037 0.000 2.127 166 R HA -0.139 4.199 4.340 -0.003 0.000 0.238 166 R C 0.584 176.822 176.300 -0.102 0.000 1.134 166 R CA 1.066 57.132 56.100 -0.057 0.000 0.975 166 R CB -0.195 30.096 30.300 -0.015 0.000 0.865 166 R HN 0.492 nan 8.270 nan 0.000 0.447 167 E N 1.544 121.692 120.200 -0.087 0.000 2.219 167 E HA -0.104 4.244 4.350 -0.003 0.000 0.198 167 E C 0.407 176.775 176.600 -0.387 0.000 0.998 167 E CA 1.034 57.363 56.400 -0.119 0.000 0.818 167 E CB -0.071 29.629 29.700 -0.000 0.000 0.741 167 E HN 0.492 nan 8.360 nan 0.000 0.477 168 K N 0.542 120.600 120.400 -0.571 0.000 2.181 168 K HA -0.016 4.302 4.320 -0.003 0.000 0.239 168 K C 0.620 176.829 176.600 -0.653 0.000 1.073 168 K CA 0.257 55.879 56.287 -1.108 0.000 0.839 168 K CB 0.298 32.412 32.500 -0.644 0.000 1.116 168 K HN -0.083 nan 8.250 nan 0.000 0.518 169 D N -0.555 119.547 120.400 -0.498 0.000 2.473 169 D HA 0.012 4.651 4.640 -0.003 0.000 0.230 169 D C 1.739 177.944 176.300 -0.158 0.000 1.097 169 D CA 0.323 54.211 54.000 -0.188 0.000 0.861 169 D CB 0.247 41.061 40.800 0.024 0.000 1.114 169 D HN 0.090 nan 8.370 nan 0.000 0.500 170 V N 1.311 121.110 119.914 -0.191 0.000 2.323 170 V HA -0.070 4.048 4.120 -0.003 0.000 0.244 170 V C 1.088 177.196 176.094 0.023 0.000 1.041 170 V CA 0.996 63.184 62.300 -0.187 0.000 1.025 170 V CB -0.065 31.713 31.823 -0.075 0.000 0.656 170 V HN 0.107 nan 8.190 nan 0.000 0.451 171 L N 0.750 121.974 121.223 0.002 0.000 2.416 171 L HA 0.455 4.793 4.340 -0.003 0.000 0.262 171 L C -2.252 174.595 176.870 -0.037 0.000 1.093 171 L CA -2.019 52.822 54.840 0.002 0.000 0.801 171 L CB -0.023 42.005 42.059 -0.051 0.000 1.191 171 L HN 0.103 nan 8.230 nan 0.000 0.459 172 P HA 0.131 nan 4.420 nan 0.000 0.277 172 P C -0.829 176.429 177.300 -0.071 0.000 1.240 172 P CA -0.621 62.439 63.100 -0.067 0.000 0.798 172 P CB 0.798 32.438 31.700 -0.102 0.000 0.979 173 D N 2.208 122.577 120.400 -0.052 0.000 2.449 173 D HA 0.105 4.743 4.640 -0.003 0.000 0.236 173 D C -1.985 174.311 176.300 -0.007 0.000 1.149 173 D CA -0.494 53.490 54.000 -0.028 0.000 0.878 173 D CB -0.739 40.057 40.800 -0.008 0.000 1.198 173 D HN 0.229 nan 8.370 nan 0.000 0.446 174 P HA 0.081 nan 4.420 nan 0.000 0.275 174 P C -0.396 177.033 177.300 0.214 0.000 1.227 174 P CA -0.325 62.847 63.100 0.120 0.000 0.781 174 P CB 0.778 32.533 31.700 0.092 0.000 0.906 175 S N 3.292 119.169 115.700 0.296 0.000 2.601 175 S HA 0.304 4.772 4.470 -0.003 0.000 0.271 175 S C -0.011 174.820 174.600 0.385 0.000 1.305 175 S CA -0.615 57.749 58.200 0.272 0.000 1.022 175 S CB -0.092 63.242 63.200 0.224 0.000 0.940 175 S HN 0.256 nan 8.310 nan 0.000 0.525 176 L N 4.042 125.340 121.223 0.126 0.000 2.436 176 L HA 0.443 4.782 4.340 -0.003 0.000 0.265 176 L C -1.625 175.071 176.870 -0.290 0.000 1.168 176 L CA -1.929 52.789 54.840 -0.203 0.000 0.815 176 L CB 0.817 42.759 42.059 -0.194 0.000 1.109 176 L HN 0.637 nan 8.230 nan 0.000 0.462 177 P HA 0.305 nan 4.420 nan 0.000 0.278 177 P C -2.683 174.432 177.300 -0.308 0.000 1.258 177 P CA -1.507 61.195 63.100 -0.664 0.000 0.811 177 P CB 0.323 31.222 31.700 -1.335 0.000 1.063 178 P HA 0.169 nan 4.420 nan 0.000 0.274 178 P C -0.336 176.905 177.300 -0.098 0.000 1.246 178 P CA -0.475 62.599 63.100 -0.042 0.000 0.795 178 P CB 0.475 32.213 31.700 0.064 0.000 1.006 179 L N 1.002 122.185 121.223 -0.066 0.000 2.455 179 L HA 0.433 4.771 4.340 -0.003 0.000 0.272 179 L C -0.281 176.565 176.870 -0.041 0.000 1.174 179 L CA 0.180 54.978 54.840 -0.070 0.000 0.869 179 L CB -0.550 41.481 42.059 -0.048 0.000 1.130 179 L HN 0.569 nan 8.230 nan 0.000 0.474 180 A N 3.878 126.669 122.820 -0.048 0.000 2.454 180 A HA 0.459 4.777 4.320 -0.003 0.000 0.302 180 A C 0.408 177.984 177.584 -0.013 0.000 1.079 180 A CA -0.543 51.483 52.037 -0.018 0.000 0.731 180 A CB 0.791 19.784 19.000 -0.011 0.000 1.299 180 A HN 0.800 nan 8.150 nan 0.000 0.413 181 D N -0.478 119.922 120.400 -0.000 0.000 2.269 181 D HA 0.057 4.696 4.640 -0.003 0.000 0.208 181 D C -0.170 176.129 176.300 -0.002 0.000 0.963 181 D CA 1.438 55.436 54.000 -0.002 0.000 0.864 181 D CB 0.277 41.078 40.800 0.001 0.000 0.936 181 D HN 0.307 nan 8.370 nan 0.000 0.505 182 L N -0.045 121.181 121.223 0.005 0.000 2.549 182 L HA 0.294 4.633 4.340 -0.003 0.000 0.259 182 L C -1.838 175.047 176.870 0.025 0.000 0.934 182 L CA -0.634 54.210 54.840 0.008 0.000 0.865 182 L CB 2.486 44.546 42.059 0.003 0.000 1.352 182 L HN -0.361 nan 8.230 nan 0.000 0.410 183 V N 5.612 125.545 119.914 0.032 0.000 2.409 183 V HA 0.402 4.520 4.120 -0.003 0.000 0.290 183 V C -0.211 175.933 176.094 0.082 0.000 1.017 183 V CA -0.468 61.874 62.300 0.071 0.000 0.841 183 V CB 1.639 33.502 31.823 0.067 0.000 1.003 183 V HN 0.686 nan 8.190 nan 0.000 0.426 184 L N 5.094 126.379 121.223 0.102 0.000 2.312 184 L HA 0.673 5.012 4.340 -0.003 0.000 0.287 184 L C 0.491 177.458 176.870 0.161 0.000 1.091 184 L CA 0.051 54.930 54.840 0.066 0.000 0.846 184 L CB 0.773 42.806 42.059 -0.043 0.000 1.219 184 L HN 0.814 nan 8.230 nan 0.000 0.439 185 A N 4.298 127.185 122.820 0.112 0.000 2.354 185 A HA 0.578 4.897 4.320 -0.003 0.000 0.321 185 A C -0.433 177.190 177.584 0.064 0.000 1.125 185 A CA -0.729 51.362 52.037 0.090 0.000 0.799 185 A CB 1.255 20.317 19.000 0.103 0.000 1.293 185 A HN 0.755 nan 8.150 nan 0.000 0.452 186 E N -0.031 120.165 120.200 -0.006 0.000 2.345 186 E HA 0.565 4.913 4.350 -0.003 0.000 0.259 186 E C 0.534 177.143 176.600 0.016 0.000 1.117 186 E CA -0.107 56.291 56.400 -0.003 0.000 0.913 186 E CB 1.025 30.606 29.700 -0.198 0.000 1.057 186 E HN 0.599 nan 8.360 nan 0.000 0.432 187 G N 0.807 109.641 108.800 0.058 0.000 3.314 187 G HA2 0.025 3.983 3.960 -0.003 0.000 0.230 187 G HA3 0.025 3.983 3.960 -0.003 0.000 0.230 187 G C -0.219 174.696 174.900 0.026 0.000 1.058 187 G CA -0.170 44.956 45.100 0.043 0.000 0.926 187 G HN 0.530 nan 8.290 nan 0.000 0.564 188 T N 1.737 116.308 114.554 0.028 0.000 2.718 188 T HA -0.049 4.299 4.350 -0.003 0.000 0.265 188 T C 0.300 174.991 174.700 -0.015 0.000 1.014 188 T CA 0.968 62.992 62.100 -0.127 0.000 1.172 188 T CB -0.387 68.329 68.868 -0.253 0.000 1.007 188 T HN 0.567 nan 8.240 nan 0.000 0.500 189 Y N -0.746 119.520 120.300 -0.055 0.000 4.366 189 Y HA -0.233 4.315 4.550 -0.003 0.000 0.236 189 Y C 1.688 177.538 175.900 -0.082 0.000 1.142 189 Y CA 0.385 58.435 58.100 -0.083 0.000 2.024 189 Y CB -2.063 36.356 38.460 -0.069 0.000 1.621 189 Y HN 0.849 nan 8.280 nan 0.000 0.694 190 G N 0.365 109.184 108.800 0.031 0.000 2.679 190 G HA2 -0.123 3.835 3.960 -0.003 0.000 0.212 190 G HA3 -0.123 3.835 3.960 -0.003 0.000 0.212 190 G C 1.086 175.989 174.900 0.005 0.000 1.137 190 G CA 0.981 46.094 45.100 0.022 0.000 0.787 190 G HN 0.594 nan 8.290 nan 0.000 0.534 191 D N -0.610 119.784 120.400 -0.010 0.000 2.369 191 D HA 0.091 4.729 4.640 -0.003 0.000 0.211 191 D C 0.976 177.264 176.300 -0.020 0.000 1.077 191 D CA -0.352 53.637 54.000 -0.019 0.000 0.842 191 D CB 0.126 40.905 40.800 -0.035 0.000 0.947 191 D HN 0.547 nan 8.370 nan 0.000 0.509 192 R N -1.518 118.968 120.500 -0.022 0.000 2.664 192 R HA 0.504 4.842 4.340 -0.003 0.000 0.266 192 R C -3.318 172.926 176.300 -0.094 0.000 1.046 192 R CA -1.469 54.608 56.100 -0.038 0.000 0.885 192 R CB 0.798 31.076 30.300 -0.035 0.000 1.254 192 R HN -0.224 nan 8.270 nan 0.000 0.465 193 P HA 0.237 nan 4.420 nan 0.000 0.279 193 P C -0.863 176.363 177.300 -0.124 0.000 1.276 193 P CA -0.339 62.698 63.100 -0.104 0.000 0.801 193 P CB 0.733 32.429 31.700 -0.007 0.000 1.127 194 H N -0.378 118.746 119.070 0.089 0.000 2.508 194 H HA 0.301 4.855 4.556 -0.003 0.000 0.344 194 H C 0.489 175.880 175.328 0.105 0.000 1.192 194 H CA -0.453 55.671 56.048 0.126 0.000 1.290 194 H CB 1.039 30.846 29.762 0.075 0.000 1.571 194 H HN 0.367 nan 8.280 nan 0.000 0.555 195 R N 1.905 122.562 120.500 0.262 0.000 2.442 195 R HA 0.144 4.482 4.340 -0.003 0.000 0.291 195 R C -2.420 173.948 176.300 0.113 0.000 1.069 195 R CA -1.325 54.867 56.100 0.153 0.000 1.022 195 R CB -0.019 30.358 30.300 0.128 0.000 0.976 195 R HN 0.302 nan 8.270 nan 0.000 0.443 196 P HA -0.169 nan 4.420 nan 0.000 0.263 196 P C -0.537 176.791 177.300 0.046 0.000 1.168 196 P CA 0.578 63.725 63.100 0.079 0.000 0.759 196 P CB 0.228 31.965 31.700 0.061 0.000 0.782 197 Y N 4.896 125.151 120.300 -0.075 0.000 2.163 197 Y HA -0.214 4.334 4.550 -0.003 0.000 0.288 197 Y C 2.168 177.977 175.900 -0.152 0.000 1.136 197 Y CA 1.544 59.540 58.100 -0.173 0.000 1.147 197 Y CB -0.089 38.264 38.460 -0.178 0.000 0.987 197 Y HN 0.216 nan 8.280 nan 0.000 0.509 198 R N 0.341 120.886 120.500 0.075 0.000 2.127 198 R HA -0.193 4.145 4.340 -0.003 0.000 0.238 198 R C 2.001 178.244 176.300 -0.095 0.000 1.134 198 R CA 1.898 57.998 56.100 -0.000 0.000 0.975 198 R CB -0.347 30.005 30.300 0.087 0.000 0.865 198 R HN 0.577 nan 8.270 nan 0.000 0.447 199 E N -0.488 119.671 120.200 -0.069 0.000 2.072 199 E HA -0.089 4.259 4.350 -0.003 0.000 0.190 199 E C 1.928 178.472 176.600 -0.092 0.000 0.982 199 E CA 1.363 57.733 56.400 -0.049 0.000 0.803 199 E CB -0.032 29.665 29.700 -0.006 0.000 0.755 199 E HN 0.226 nan 8.360 nan 0.000 0.453 200 T N 1.010 115.455 114.554 -0.182 0.000 2.652 200 T HA -0.154 4.194 4.350 -0.003 0.000 0.267 200 T C 2.106 176.682 174.700 -0.208 0.000 1.039 200 T CA 1.218 63.193 62.100 -0.209 0.000 1.153 200 T CB -0.279 68.336 68.868 -0.422 0.000 0.863 200 T HN -0.027 nan 8.240 nan 0.000 0.428 201 V N 1.340 120.969 119.914 -0.475 0.000 2.407 201 V HA -0.171 3.947 4.120 -0.003 0.000 0.248 201 V C 2.604 178.648 176.094 -0.083 0.000 1.055 201 V CA 1.811 63.911 62.300 -0.333 0.000 1.049 201 V CB -0.568 30.944 31.823 -0.519 0.000 0.662 201 V HN 0.282 nan 8.190 nan 0.000 0.455 202 R N 0.486 120.937 120.500 -0.081 0.000 2.081 202 R HA -0.190 4.149 4.340 -0.003 0.000 0.235 202 R C 2.302 178.601 176.300 -0.001 0.000 1.131 202 R CA 2.129 58.214 56.100 -0.024 0.000 0.960 202 R CB -0.415 29.878 30.300 -0.011 0.000 0.856 202 R HN 0.656 nan 8.270 nan 0.000 0.436 203 E N -1.004 119.205 120.200 0.016 0.000 2.107 203 E HA -0.188 4.160 4.350 -0.003 0.000 0.191 203 E C 1.686 178.291 176.600 0.008 0.000 0.982 203 E CA 0.921 57.328 56.400 0.013 0.000 0.809 203 E CB -0.216 29.505 29.700 0.034 0.000 0.756 203 E HN 0.409 nan 8.360 nan 0.000 0.459 204 F N 1.392 121.306 119.950 -0.061 0.000 2.126 204 F HA -0.210 4.315 4.527 -0.003 0.000 0.299 204 F C 1.845 177.577 175.800 -0.114 0.000 1.096 204 F CA 1.495 59.459 58.000 -0.061 0.000 1.255 204 F CB -0.047 38.993 39.000 0.067 0.000 0.997 204 F HN 0.005 nan 8.300 nan 0.000 0.479 205 L N -0.095 121.117 121.223 -0.018 0.000 2.141 205 L HA -0.155 4.183 4.340 -0.003 0.000 0.209 205 L C 2.274 179.041 176.870 -0.172 0.000 1.094 205 L CA 1.354 56.117 54.840 -0.128 0.000 0.763 205 L CB -0.749 41.270 42.059 -0.067 0.000 0.908 205 L HN 0.215 nan 8.230 nan 0.000 0.437 206 E N 0.450 120.570 120.200 -0.134 0.000 2.072 206 E HA -0.161 4.187 4.350 -0.003 0.000 0.190 206 E C 2.320 178.812 176.600 -0.180 0.000 0.982 206 E CA 0.969 57.296 56.400 -0.121 0.000 0.803 206 E CB -0.048 29.607 29.700 -0.075 0.000 0.755 206 E HN 0.462 nan 8.360 nan 0.000 0.453 207 I N 1.364 121.773 120.570 -0.267 0.000 2.163 207 I HA -0.314 3.854 4.170 -0.003 0.000 0.243 207 I C 2.461 178.383 176.117 -0.324 0.000 1.085 207 I CA 1.176 62.262 61.300 -0.357 0.000 1.347 207 I CB -0.295 37.363 38.000 -0.570 0.000 1.044 207 I HN 0.131 nan 8.210 nan 0.000 0.408 208 L N 0.246 121.226 121.223 -0.405 0.000 1.976 208 L HA -0.243 4.096 4.340 -0.003 0.000 0.209 208 L C 2.670 179.414 176.870 -0.210 0.000 1.071 208 L CA 1.672 56.306 54.840 -0.343 0.000 0.746 208 L CB -0.739 41.068 42.059 -0.420 0.000 0.890 208 L HN 0.252 nan 8.230 nan 0.000 0.432 209 E N 1.014 121.107 120.200 -0.179 0.000 2.086 209 E HA -0.323 4.025 4.350 -0.003 0.000 0.205 209 E C 2.058 178.600 176.600 -0.097 0.000 1.027 209 E CA 2.241 58.570 56.400 -0.118 0.000 0.830 209 E CB -0.160 29.482 29.700 -0.096 0.000 0.751 209 E HN 0.283 nan 8.360 nan 0.000 0.456 210 K N -0.879 119.461 120.400 -0.099 0.000 1.973 210 K HA -0.138 4.180 4.320 -0.003 0.000 0.212 210 K C 2.190 178.750 176.600 -0.068 0.000 1.047 210 K CA 2.129 58.373 56.287 -0.071 0.000 0.937 210 K CB -0.571 31.892 32.500 -0.062 0.000 0.721 210 K HN 0.205 nan 8.250 nan 0.000 0.440 211 T N 2.495 116.997 114.554 -0.086 0.000 2.597 211 T HA -0.212 4.137 4.350 -0.003 0.000 0.267 211 T C 1.906 176.568 174.700 -0.064 0.000 1.053 211 T CA 1.939 63.996 62.100 -0.071 0.000 1.165 211 T CB -0.413 68.399 68.868 -0.094 0.000 0.863 211 T HN 0.173 nan 8.240 nan 0.000 0.427 212 L N 0.784 121.958 121.223 -0.083 0.000 1.990 212 L HA -0.122 4.216 4.340 -0.003 0.000 0.213 212 L C 2.622 179.463 176.870 -0.049 0.000 1.072 212 L CA 1.198 55.998 54.840 -0.066 0.000 0.755 212 L CB -0.752 41.258 42.059 -0.082 0.000 0.889 212 L HN 0.201 nan 8.230 nan 0.000 0.432 213 S N -0.516 115.153 115.700 -0.052 0.000 2.693 213 S HA -0.153 4.315 4.470 -0.003 0.000 0.243 213 S C 1.088 175.671 174.600 -0.028 0.000 0.973 213 S CA 0.835 59.012 58.200 -0.038 0.000 0.969 213 S CB -0.467 62.709 63.200 -0.039 0.000 0.771 213 S HN 0.571 nan 8.310 nan 0.000 0.542 214 Q N -1.688 118.097 119.800 -0.026 0.000 2.038 214 Q HA 0.397 4.735 4.340 -0.003 0.000 0.240 214 Q C 0.653 176.645 176.000 -0.013 0.000 0.831 214 Q CA 0.189 55.981 55.803 -0.018 0.000 1.068 214 Q CB -0.054 28.675 28.738 -0.016 0.000 1.241 214 Q HN 0.189 nan 8.270 nan 0.000 0.435 215 G N 0.051 108.843 108.800 -0.014 0.000 2.166 215 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.260 215 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.260 215 G C 0.432 175.329 174.900 -0.005 0.000 0.986 215 G CA 0.065 45.161 45.100 -0.007 0.000 0.683 215 G HN 0.759 nan 8.290 nan 0.000 0.527 216 G N -0.733 108.060 108.800 -0.012 0.000 2.562 216 G HA2 0.564 4.522 3.960 -0.003 0.000 0.275 216 G HA3 0.564 4.522 3.960 -0.003 0.000 0.275 216 G C 0.023 174.916 174.900 -0.012 0.000 1.196 216 G CA -0.467 44.626 45.100 -0.011 0.000 0.908 216 G HN 0.435 nan 8.290 nan 0.000 0.524 217 K N -0.675 119.720 120.400 -0.009 0.000 2.156 217 K HA 0.519 4.837 4.320 -0.003 0.000 0.254 217 K C -1.154 175.425 176.600 -0.035 0.000 0.950 217 K CA -0.717 55.565 56.287 -0.008 0.000 0.849 217 K CB 2.652 35.161 32.500 0.014 0.000 1.100 217 K HN 0.152 nan 8.250 nan 0.000 0.434 218 V N 4.126 124.007 119.914 -0.054 0.000 2.326 218 V HA 0.184 4.302 4.120 -0.003 0.000 0.281 218 V C -0.806 175.233 176.094 -0.093 0.000 1.015 218 V CA -0.916 61.328 62.300 -0.093 0.000 0.823 218 V CB 0.957 32.693 31.823 -0.145 0.000 1.009 218 V HN 0.502 nan 8.190 nan 0.000 0.436 219 L N 6.336 127.498 121.223 -0.100 0.000 2.292 219 L HA 0.564 4.903 4.340 -0.003 0.000 0.284 219 L C -0.073 176.700 176.870 -0.161 0.000 1.065 219 L CA -0.198 54.566 54.840 -0.126 0.000 0.806 219 L CB 1.179 43.176 42.059 -0.103 0.000 1.175 219 L HN 0.470 nan 8.230 nan 0.000 0.431 220 I N 5.770 126.246 120.570 -0.156 0.000 2.521 220 I HA 0.245 4.413 4.170 -0.003 0.000 0.277 220 I C -2.273 173.750 176.117 -0.156 0.000 1.054 220 I CA -1.585 59.625 61.300 -0.150 0.000 1.117 220 I CB 2.206 40.157 38.000 -0.082 0.000 1.217 220 I HN 0.359 nan 8.210 nan 0.000 0.469 221 P HA 0.179 nan 4.420 nan 0.000 0.276 221 P C -0.518 176.674 177.300 -0.181 0.000 1.235 221 P CA 0.136 63.152 63.100 -0.140 0.000 0.772 221 P CB 1.145 32.794 31.700 -0.086 0.000 0.871 222 T N -0.198 114.236 114.554 -0.200 0.000 2.900 222 T HA 0.585 4.934 4.350 -0.003 0.000 0.303 222 T C -0.446 174.119 174.700 -0.224 0.000 1.142 222 T CA -0.730 61.224 62.100 -0.243 0.000 1.007 222 T CB 0.631 69.439 68.868 -0.100 0.000 1.156 222 T HN 0.050 nan 8.240 nan 0.000 0.490 223 F N 1.030 121.024 119.950 0.073 0.000 2.399 223 F HA 0.542 5.068 4.527 -0.003 0.000 0.342 223 F C 1.816 177.656 175.800 0.067 0.000 1.106 223 F CA -0.741 57.310 58.000 0.085 0.000 1.196 223 F CB 0.933 40.003 39.000 0.116 0.000 1.163 223 F HN 0.878 nan 8.300 nan 0.000 0.547 224 A N 2.282 125.256 122.820 0.257 0.000 2.066 224 A HA -0.017 4.301 4.320 -0.003 0.000 0.218 224 A C 1.759 179.414 177.584 0.118 0.000 1.157 224 A CA 0.972 53.091 52.037 0.137 0.000 0.670 224 A CB -0.567 18.495 19.000 0.104 0.000 0.804 224 A HN 0.595 nan 8.150 nan 0.000 0.453 225 V N -0.547 119.481 119.914 0.189 0.000 3.573 225 V HA 0.018 4.136 4.120 -0.003 0.000 0.270 225 V C 1.627 177.790 176.094 0.116 0.000 1.221 225 V CA 1.683 64.067 62.300 0.140 0.000 1.163 225 V CB -0.144 31.790 31.823 0.186 0.000 0.847 225 V HN 0.726 nan 8.190 nan 0.000 0.468 226 E N -0.756 119.532 120.200 0.147 0.000 1.637 226 E HA -0.057 4.291 4.350 -0.003 0.000 0.219 226 E C 1.832 178.535 176.600 0.171 0.000 1.053 226 E CA 0.288 56.781 56.400 0.155 0.000 1.275 226 E CB -0.058 29.701 29.700 0.098 0.000 4.322 226 E HN 0.289 nan 8.360 nan 0.000 0.847 227 R N 1.776 122.397 120.500 0.202 0.000 2.081 227 R HA 0.110 4.448 4.340 -0.003 0.000 0.235 227 R C 2.160 178.524 176.300 0.106 0.000 1.131 227 R CA 2.351 58.562 56.100 0.186 0.000 0.960 227 R CB -0.623 29.834 30.300 0.261 0.000 0.856 227 R HN 0.188 nan 8.270 nan 0.000 0.436 228 A N 0.870 123.740 122.820 0.084 0.000 1.851 228 A HA -0.249 4.069 4.320 -0.003 0.000 0.216 228 A C 1.979 179.596 177.584 0.056 0.000 1.195 228 A CA 1.837 53.894 52.037 0.034 0.000 0.622 228 A CB -0.708 18.300 19.000 0.014 0.000 0.831 228 A HN 0.513 nan 8.150 nan 0.000 0.444 229 Q N -0.276 119.549 119.800 0.043 0.000 2.061 229 Q HA -0.262 4.076 4.340 -0.003 0.000 0.204 229 Q C 1.882 178.076 176.000 0.324 0.000 0.984 229 Q CA 1.816 57.676 55.803 0.094 0.000 0.846 229 Q CB -0.731 27.906 28.738 -0.167 0.000 0.902 229 Q HN 0.885 nan 8.270 nan 0.000 0.421 230 E N 0.375 120.748 120.200 0.289 0.000 2.118 230 E HA -0.167 4.181 4.350 -0.003 0.000 0.195 230 E C 1.946 178.714 176.600 0.280 0.000 0.992 230 E CA 0.750 57.351 56.400 0.335 0.000 0.804 230 E CB 0.119 29.988 29.700 0.282 0.000 0.741 230 E HN 0.212 nan 8.360 nan 0.000 0.458 231 I N 0.953 121.593 120.570 0.116 0.000 2.315 231 I HA -0.231 3.937 4.170 -0.003 0.000 0.248 231 I C 2.342 178.516 176.117 0.095 0.000 1.117 231 I CA 0.990 62.276 61.300 -0.024 0.000 1.404 231 I CB -0.945 36.969 38.000 -0.143 0.000 1.071 231 I HN 0.288 nan 8.210 nan 0.000 0.419 232 L N -0.609 120.705 121.223 0.151 0.000 2.042 232 L HA -0.287 4.051 4.340 -0.003 0.000 0.210 232 L C 2.701 179.683 176.870 0.187 0.000 1.076 232 L CA 1.580 56.518 54.840 0.164 0.000 0.749 232 L CB -0.813 41.358 42.059 0.188 0.000 0.893 232 L HN 0.193 nan 8.230 nan 0.000 0.432 233 Y N 0.128 120.491 120.300 0.106 0.000 2.200 233 Y HA -0.193 4.355 4.550 -0.002 0.000 0.290 233 Y C 2.330 178.265 175.900 0.058 0.000 1.137 233 Y CA 1.452 59.523 58.100 -0.048 0.000 1.163 233 Y CB -0.109 38.282 38.460 -0.116 0.000 0.988 233 Y HN -0.145 nan 8.280 nan 0.000 0.518 234 V N -0.287 119.745 119.914 0.197 0.000 2.626 234 V HA -0.238 3.880 4.120 -0.003 0.000 0.252 234 V C 2.121 178.300 176.094 0.142 0.000 1.067 234 V CA 1.149 63.540 62.300 0.152 0.000 1.081 234 V CB -0.630 31.255 31.823 0.103 0.000 0.686 234 V HN 0.331 nan 8.190 nan 0.000 0.468 235 L N -0.975 120.319 121.223 0.118 0.000 2.095 235 L HA -0.033 4.305 4.340 -0.003 0.000 0.204 235 L C 2.245 179.151 176.870 0.062 0.000 1.080 235 L CA 1.699 56.605 54.840 0.112 0.000 0.759 235 L CB -1.144 40.976 42.059 0.103 0.000 0.914 235 L HN 0.469 nan 8.230 nan 0.000 0.439 236 Y N 0.172 120.392 120.300 -0.133 0.000 2.165 236 Y HA -0.185 4.363 4.550 -0.002 0.000 0.286 236 Y C 1.008 176.774 175.900 -0.222 0.000 1.155 236 Y CA 1.273 59.248 58.100 -0.209 0.000 1.164 236 Y CB -0.136 38.120 38.460 -0.339 0.000 0.978 236 Y HN 0.090 nan 8.280 nan 0.000 0.513 237 T N 0.265 114.830 114.554 0.018 0.000 2.874 237 T HA 0.158 4.506 4.350 -0.003 0.000 0.281 237 T C -0.417 174.279 174.700 -0.006 0.000 0.994 237 T CA 0.366 62.409 62.100 -0.095 0.000 1.015 237 T CB 0.662 69.354 68.868 -0.292 0.000 1.028 237 T HN 0.574 nan 8.240 nan 0.000 0.523 238 H N -1.119 117.917 119.070 -0.057 0.000 3.612 238 H HA -0.192 4.362 4.556 -0.003 0.000 0.212 238 H C 1.660 176.675 175.328 -0.521 0.000 1.041 238 H CA 1.036 56.809 56.048 -0.458 0.000 1.205 238 H CB -1.809 27.835 29.762 -0.196 0.000 1.159 238 H HN 0.779 nan 8.280 nan 0.000 0.323 239 G N 0.759 109.443 108.800 -0.194 0.000 2.559 239 G HA2 -0.256 3.703 3.960 -0.003 0.000 0.216 239 G HA3 -0.256 3.703 3.960 -0.003 0.000 0.216 239 G C 1.265 176.061 174.900 -0.173 0.000 1.126 239 G CA 0.853 45.847 45.100 -0.178 0.000 0.778 239 G HN 0.859 nan 8.290 nan 0.000 0.543 240 H N 0.471 119.487 119.070 -0.089 0.000 2.559 240 H HA 0.059 4.613 4.556 -0.002 0.000 0.273 240 H C 2.074 177.376 175.328 -0.044 0.000 1.000 240 H CA 1.047 57.048 56.048 -0.078 0.000 1.195 240 H CB 0.007 29.721 29.762 -0.081 0.000 1.368 240 H HN 0.603 nan 8.280 nan 0.000 0.592 241 R N 0.754 121.073 120.500 -0.301 0.000 2.412 241 R HA 0.239 4.577 4.340 -0.003 0.000 0.212 241 R C 0.303 176.534 176.300 -0.115 0.000 0.878 241 R CA -0.335 55.672 56.100 -0.155 0.000 1.022 241 R CB -0.029 30.157 30.300 -0.189 0.000 1.265 241 R HN 0.036 nan 8.270 nan 0.000 0.620 242 L N 5.146 126.288 121.223 -0.136 0.000 2.513 242 L HA 0.228 4.566 4.340 -0.003 0.000 0.272 242 L C -1.787 175.033 176.870 -0.083 0.000 1.187 242 L CA -1.830 52.947 54.840 -0.106 0.000 0.895 242 L CB 0.200 42.197 42.059 -0.104 0.000 1.147 242 L HN 0.063 nan 8.230 nan 0.000 0.483 243 P HA 0.013 nan 4.420 nan 0.000 0.267 243 P C -0.506 176.759 177.300 -0.059 0.000 1.200 243 P CA -0.189 62.877 63.100 -0.056 0.000 0.772 243 P CB 0.495 32.165 31.700 -0.050 0.000 0.855 244 R N 1.111 121.581 120.500 -0.051 0.000 2.522 244 R HA 0.448 4.786 4.340 -0.003 0.000 0.284 244 R C 0.149 176.419 176.300 -0.051 0.000 1.032 244 R CA 0.459 56.526 56.100 -0.054 0.000 1.049 244 R CB 0.061 30.334 30.300 -0.047 0.000 0.956 244 R HN 0.673 nan 8.270 nan 0.000 0.422 245 A N 4.354 127.137 122.820 -0.062 0.000 2.590 245 A HA 0.432 4.751 4.320 -0.003 0.000 0.294 245 A C -2.655 174.872 177.584 -0.095 0.000 1.046 245 A CA -1.314 50.689 52.037 -0.056 0.000 0.684 245 A CB 1.321 20.294 19.000 -0.045 0.000 1.279 245 A HN 0.543 nan 8.150 nan 0.000 0.415 246 P HA 0.582 nan 4.420 nan 0.000 0.274 246 P C -0.875 176.231 177.300 -0.323 0.000 1.237 246 P CA -0.060 62.864 63.100 -0.293 0.000 0.793 246 P CB 0.787 32.234 31.700 -0.423 0.000 0.977 247 I N 1.957 122.281 120.570 -0.411 0.000 2.466 247 I HA 0.218 4.386 4.170 -0.003 0.000 0.279 247 I C -0.528 175.408 176.117 -0.303 0.000 1.033 247 I CA -0.777 60.375 61.300 -0.246 0.000 1.123 247 I CB 0.691 38.614 38.000 -0.130 0.000 1.237 247 I HN 0.248 nan 8.210 nan 0.000 0.460 248 Y N 5.998 126.278 120.300 -0.034 0.000 2.327 248 Y HA 0.321 4.870 4.550 -0.003 0.000 0.336 248 Y C 0.079 175.950 175.900 -0.049 0.000 1.035 248 Y CA -0.710 57.370 58.100 -0.033 0.000 1.165 248 Y CB 1.158 39.600 38.460 -0.029 0.000 1.181 248 Y HN 0.394 nan 8.280 nan 0.000 0.494 249 L N 4.597 125.876 121.223 0.093 0.000 2.353 249 L HA 0.309 4.647 4.340 -0.003 0.000 0.269 249 L C 0.015 176.911 176.870 0.044 0.000 1.085 249 L CA -0.279 54.583 54.840 0.036 0.000 0.938 249 L CB -0.060 42.007 42.059 0.013 0.000 1.312 249 L HN 0.553 nan 8.230 nan 0.000 0.429 250 D N 1.818 122.235 120.400 0.027 0.000 2.977 250 D HA 0.067 4.705 4.640 -0.003 0.000 0.241 250 D C -0.506 175.803 176.300 0.014 0.000 1.206 250 D CA 0.499 54.516 54.000 0.028 0.000 0.902 250 D CB 0.014 40.823 40.800 0.014 0.000 1.131 250 D HN 0.377 nan 8.370 nan 0.000 0.447 251 S N 1.166 116.868 115.700 0.004 0.000 2.746 251 S HA 0.387 4.855 4.470 -0.003 0.000 0.273 251 S C -2.571 172.018 174.600 -0.019 0.000 1.172 251 S CA -1.305 56.894 58.200 -0.003 0.000 1.116 251 S CB 1.164 64.367 63.200 0.004 0.000 1.057 251 S HN 0.018 nan 8.310 nan 0.000 0.483 255 G N 0.547 109.316 108.800 -0.052 0.000 2.464 255 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.214 255 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.214 255 G C 1.391 176.256 174.900 -0.057 0.000 1.218 255 G CA 1.085 46.154 45.100 -0.051 0.000 0.794 255 G HN 0.451 nan 8.290 nan 0.000 0.542 256 R N -0.294 120.181 120.500 -0.042 0.000 2.226 256 R HA -0.072 4.267 4.340 -0.003 0.000 0.246 256 R C 2.435 178.707 176.300 -0.047 0.000 1.161 256 R CA 1.008 57.088 56.100 -0.032 0.000 0.997 256 R CB -0.307 29.981 30.300 -0.021 0.000 0.870 256 R HN 0.339 nan 8.270 nan 0.000 0.465 257 V N 0.636 120.498 119.914 -0.086 0.000 2.500 257 V HA -0.119 3.999 4.120 -0.003 0.000 0.243 257 V C 2.148 178.064 176.094 -0.297 0.000 1.039 257 V CA 0.948 63.164 62.300 -0.140 0.000 1.053 257 V CB -0.238 31.496 31.823 -0.150 0.000 0.695 257 V HN 0.316 nan 8.190 nan 0.000 0.463 258 L N 0.961 121.990 121.223 -0.324 0.000 2.083 258 L HA -0.094 4.244 4.340 -0.003 0.000 0.209 258 L C 1.955 178.743 176.870 -0.136 0.000 1.083 258 L CA 1.977 56.590 54.840 -0.377 0.000 0.752 258 L CB -0.174 41.768 42.059 -0.195 0.000 0.899 258 L HN 0.578 nan 8.230 nan 0.000 0.433 259 S N -0.899 114.768 115.700 -0.056 0.000 2.815 259 S HA 0.115 4.583 4.470 -0.003 0.000 0.254 259 S C 0.513 175.138 174.600 0.042 0.000 1.197 259 S CA -0.292 57.919 58.200 0.020 0.000 1.216 259 S CB 0.500 63.711 63.200 0.017 0.000 0.871 259 S HN 0.380 nan 8.310 nan 0.000 0.473 260 L N -1.242 120.025 121.223 0.073 0.000 3.617 260 L HA 0.456 4.794 4.340 -0.003 0.000 0.336 260 L C 0.998 178.006 176.870 0.231 0.000 1.141 260 L CA 0.255 55.162 54.840 0.111 0.000 1.225 260 L CB -0.541 41.564 42.059 0.077 0.000 1.725 260 L HN 0.390 nan 8.230 nan 0.000 0.621 261 Y N 1.072 121.377 120.300 0.008 0.000 2.224 261 Y HA -0.110 4.438 4.550 -0.003 0.000 0.289 261 Y C -0.504 175.465 175.900 0.116 0.000 1.146 261 Y CA 1.193 59.327 58.100 0.057 0.000 1.182 261 Y CB -0.804 37.516 38.460 -0.232 0.000 0.983 261 Y HN 0.267 nan 8.280 nan 0.000 0.524 262 P HA -0.129 nan 4.420 nan 0.000 0.220 262 P C 0.858 178.144 177.300 -0.022 0.000 1.148 262 P CA 1.548 64.701 63.100 0.087 0.000 0.803 262 P CB -0.025 31.817 31.700 0.236 0.000 0.782 263 R N -1.316 119.211 120.500 0.046 0.000 2.280 263 R HA 0.057 4.395 4.340 -0.003 0.000 0.207 263 R C 0.586 176.892 176.300 0.011 0.000 1.043 263 R CA 0.584 56.697 56.100 0.021 0.000 1.006 263 R CB -0.279 30.041 30.300 0.033 0.000 0.885 263 R HN 0.163 nan 8.270 nan 0.000 0.467 264 L N -0.404 120.828 121.223 0.015 0.000 2.959 264 L HA 0.073 4.411 4.340 -0.003 0.000 0.259 264 L C 1.442 178.285 176.870 -0.045 0.000 1.185 264 L CA 0.386 55.225 54.840 -0.002 0.000 0.998 264 L CB 0.641 42.581 42.059 -0.198 0.000 1.337 264 L HN -0.093 nan 8.230 nan 0.000 0.555 265 V N 1.271 121.154 119.914 -0.051 0.000 2.439 265 V HA -0.322 3.797 4.120 -0.003 0.000 0.253 265 V C 2.577 178.666 176.094 -0.010 0.000 1.074 265 V CA 2.391 64.674 62.300 -0.028 0.000 1.076 265 V CB -0.279 31.214 31.823 -0.551 0.000 0.664 265 V HN 0.744 nan 8.190 nan 0.000 0.461 266 R N -1.716 118.697 120.500 -0.145 0.000 2.285 266 R HA -0.115 4.223 4.340 -0.003 0.000 0.213 266 R C 1.752 177.804 176.300 -0.414 0.000 1.068 266 R CA 1.986 57.922 56.100 -0.274 0.000 1.004 266 R CB -0.722 29.348 30.300 -0.385 0.000 0.873 266 R HN 0.595 nan 8.270 nan 0.000 0.467 267 Y N -0.201 119.890 120.300 -0.348 0.000 2.500 267 Y HA 0.260 4.808 4.550 -0.003 0.000 0.270 267 Y C 0.348 175.922 175.900 -0.542 0.000 1.134 267 Y CA -0.445 57.378 58.100 -0.462 0.000 1.293 267 Y CB 0.245 38.333 38.460 -0.620 0.000 1.063 267 Y HN -0.125 nan 8.280 nan 0.000 0.534 268 F N -0.390 119.564 119.950 0.008 0.000 2.364 268 F HA 0.311 4.837 4.527 -0.002 0.000 0.316 268 F C 1.184 176.973 175.800 -0.018 0.000 1.133 268 F CA -1.392 56.604 58.000 -0.007 0.000 1.051 268 F CB -0.000 39.044 39.000 0.074 0.000 1.342 268 F HN -0.283 nan 8.300 nan 0.000 0.507 269 S N -0.102 115.717 115.700 0.198 0.000 2.596 269 S HA 0.077 4.545 4.470 -0.003 0.000 0.260 269 S C 0.886 175.545 174.600 0.098 0.000 1.336 269 S CA -0.636 57.612 58.200 0.080 0.000 0.993 269 S CB 0.731 63.949 63.200 0.031 0.000 0.923 269 S HN 0.557 nan 8.310 nan 0.000 0.567 270 E N 0.973 121.204 120.200 0.050 0.000 2.031 270 E HA -0.177 4.171 4.350 -0.003 0.000 0.193 270 E C 1.936 178.579 176.600 0.071 0.000 0.994 270 E CA 1.449 57.879 56.400 0.050 0.000 0.800 270 E CB -0.679 29.032 29.700 0.019 0.000 0.752 270 E HN 0.909 nan 8.360 nan 0.000 0.447 271 E N 0.584 120.823 120.200 0.064 0.000 2.086 271 E HA -0.199 4.150 4.350 -0.003 0.000 0.200 271 E C 2.137 178.833 176.600 0.160 0.000 1.012 271 E CA 1.629 58.081 56.400 0.087 0.000 0.812 271 E CB 0.096 29.863 29.700 0.111 0.000 0.743 271 E HN 0.022 nan 8.360 nan 0.000 0.453 272 V N 0.966 120.973 119.914 0.155 0.000 2.270 272 V HA -0.281 3.837 4.120 -0.003 0.000 0.245 272 V C 2.443 178.719 176.094 0.303 0.000 1.043 272 V CA 2.099 64.503 62.300 0.174 0.000 1.014 272 V CB -0.541 31.308 31.823 0.043 0.000 0.645 272 V HN 0.349 nan 8.190 nan 0.000 0.447 273 Q N -0.264 119.726 119.800 0.316 0.000 2.112 273 Q HA -0.272 4.067 4.340 -0.003 0.000 0.206 273 Q C 2.393 178.543 176.000 0.249 0.000 0.987 273 Q CA 1.886 57.896 55.803 0.344 0.000 0.858 273 Q CB -0.515 28.339 28.738 0.193 0.000 0.905 273 Q HN 0.690 nan 8.270 nan 0.000 0.420 274 A N 1.152 124.042 122.820 0.118 0.000 1.859 274 A HA -0.309 4.009 4.320 -0.003 0.000 0.218 274 A C 1.631 179.207 177.584 -0.013 0.000 1.209 274 A CA 2.194 54.236 52.037 0.009 0.000 0.639 274 A CB -1.255 17.687 19.000 -0.097 0.000 0.835 274 A HN 0.466 nan 8.150 nan 0.000 0.450 275 H N -1.778 117.267 119.070 -0.042 0.000 2.321 275 H HA -0.202 4.352 4.556 -0.003 0.000 0.295 275 H C 1.801 177.033 175.328 -0.159 0.000 1.102 275 H CA 2.418 58.367 56.048 -0.165 0.000 1.266 275 H CB -0.440 29.096 29.762 -0.377 0.000 1.363 275 H HN 0.527 nan 8.280 nan 0.000 0.492 276 F N -0.415 119.598 119.950 0.106 0.000 2.161 276 F HA -0.184 4.342 4.527 -0.002 0.000 0.300 276 F C 2.310 178.148 175.800 0.063 0.000 1.089 276 F CA 0.744 58.793 58.000 0.081 0.000 1.282 276 F CB -0.535 38.525 39.000 0.099 0.000 1.010 276 F HN 0.107 nan 8.300 nan 0.000 0.485 277 L N 0.446 121.799 121.223 0.217 0.000 2.017 277 L HA -0.203 4.136 4.340 -0.003 0.000 0.208 277 L C 2.339 179.257 176.870 0.080 0.000 1.073 277 L CA 1.842 56.757 54.840 0.124 0.000 0.745 277 L CB -1.068 41.038 42.059 0.079 0.000 0.894 277 L HN 0.358 nan 8.230 nan 0.000 0.432 278 Q N -1.265 118.564 119.800 0.048 0.000 2.291 278 Q HA 0.208 4.546 4.340 -0.003 0.000 0.211 278 Q C 1.162 177.190 176.000 0.046 0.000 0.925 278 Q CA 0.583 56.404 55.803 0.030 0.000 0.949 278 Q CB -0.410 28.327 28.738 -0.002 0.000 1.015 278 Q HN 0.442 nan 8.270 nan 0.000 0.477 279 G N 0.710 109.552 108.800 0.070 0.000 2.205 279 G HA2 -0.267 3.692 3.960 -0.003 0.000 0.261 279 G HA3 -0.267 3.692 3.960 -0.003 0.000 0.261 279 G C -0.030 174.905 174.900 0.058 0.000 0.980 279 G CA 0.407 45.551 45.100 0.074 0.000 0.632 279 G HN 0.353 nan 8.290 nan 0.000 0.533 280 K N 0.378 120.792 120.400 0.023 0.000 2.090 280 K HA 0.464 4.783 4.320 -0.003 0.000 0.249 280 K C -0.435 176.028 176.600 -0.228 0.000 0.995 280 K CA -0.915 55.362 56.287 -0.016 0.000 0.914 280 K CB 0.895 33.436 32.500 0.068 0.000 1.057 280 K HN 0.163 nan 8.250 nan 0.000 0.462 281 N N 2.604 121.157 118.700 -0.246 0.000 2.564 281 N HA 0.145 4.883 4.740 -0.003 0.000 0.248 281 N C -1.978 173.132 175.510 -0.666 0.000 0.986 281 N CA -2.048 50.758 53.050 -0.407 0.000 0.921 281 N CB 1.194 39.670 38.487 -0.019 0.000 1.136 281 N HN 0.173 nan 8.380 nan 0.000 0.509 282 P HA -0.022 nan 4.420 nan 0.000 0.230 282 P C 0.317 176.995 177.300 -1.036 0.000 1.158 282 P CA 0.661 62.686 63.100 -1.793 0.000 0.769 282 P CB -0.092 30.634 31.700 -1.623 0.000 0.807 283 F N 0.455 120.240 119.950 -0.275 0.000 2.701 283 F HA 0.247 4.773 4.527 -0.002 0.000 0.295 283 F C 1.155 176.961 175.800 0.010 0.000 1.165 283 F CA 0.064 58.052 58.000 -0.020 0.000 1.399 283 F CB -0.094 38.948 39.000 0.070 0.000 0.996 283 F HN -0.268 nan 8.300 nan 0.000 0.513 284 R N 1.169 121.754 120.500 0.141 0.000 2.718 284 R HA 0.201 4.539 4.340 -0.003 0.000 0.266 284 R C -2.598 173.825 176.300 0.205 0.000 1.776 284 R CA -1.468 54.729 56.100 0.161 0.000 1.567 284 R CB 0.889 31.268 30.300 0.131 0.000 1.336 284 R HN -0.042 nan 8.270 nan 0.000 0.619 285 P HA -0.073 nan 4.420 nan 0.000 0.273 285 P C 0.737 178.019 177.300 -0.031 0.000 1.258 285 P CA 0.156 63.283 63.100 0.045 0.000 0.802 285 P CB 0.683 32.397 31.700 0.023 0.000 1.040 286 A N 1.251 124.011 122.820 -0.100 0.000 1.941 286 A HA -0.194 4.125 4.320 -0.003 0.000 0.220 286 A C 2.065 179.600 177.584 -0.081 0.000 1.407 286 A CA 2.569 54.545 52.037 -0.101 0.000 0.766 286 A CB -2.054 16.880 19.000 -0.110 0.000 0.838 286 A HN 0.701 nan 8.150 nan 0.000 0.482 287 G N -1.329 107.410 108.800 -0.100 0.000 3.496 287 G HA2 0.419 4.377 3.960 -0.003 0.000 0.273 287 G HA3 0.419 4.377 3.960 -0.003 0.000 0.273 287 G C 0.164 174.972 174.900 -0.153 0.000 1.279 287 G CA -0.123 44.901 45.100 -0.125 0.000 1.041 287 G HN 0.464 nan 8.290 nan 0.000 0.539 288 L N 0.346 121.511 121.223 -0.097 0.000 2.653 288 L HA 0.091 4.430 4.340 -0.003 0.000 0.288 288 L C 0.982 177.792 176.870 -0.101 0.000 1.243 288 L CA 0.583 55.372 54.840 -0.084 0.000 0.906 288 L CB 0.981 43.029 42.059 -0.018 0.000 1.154 288 L HN 0.199 nan 8.230 nan 0.000 0.498 289 E N 3.054 123.180 120.200 -0.124 0.000 2.641 289 E HA 0.173 4.521 4.350 -0.003 0.000 0.224 289 E C -0.256 176.367 176.600 0.039 0.000 0.951 289 E CA 0.171 56.529 56.400 -0.070 0.000 1.102 289 E CB 0.287 29.869 29.700 -0.197 0.000 1.091 289 E HN 0.357 nan 8.360 nan 0.000 0.507 290 V N 1.291 121.228 119.914 0.038 0.000 5.713 290 V HA -0.230 3.889 4.120 -0.003 0.000 0.270 290 V C 0.061 176.196 176.094 0.069 0.000 0.711 290 V CA 0.892 63.220 62.300 0.048 0.000 0.976 290 V CB -1.527 30.308 31.823 0.019 0.000 1.124 290 V HN 0.042 nan 8.190 nan 0.000 0.430 291 V N 5.838 125.804 119.914 0.087 0.000 2.488 291 V HA 0.243 4.361 4.120 -0.003 0.000 0.277 291 V C 1.243 177.336 176.094 -0.001 0.000 1.046 291 V CA -0.304 62.039 62.300 0.071 0.000 0.986 291 V CB 1.547 33.418 31.823 0.080 0.000 0.989 291 V HN 0.832 nan 8.190 nan 0.000 0.475 292 E N 2.353 122.536 120.200 -0.028 0.000 2.140 292 E HA 0.072 4.420 4.350 -0.003 0.000 0.191 292 E C 0.200 176.529 176.600 -0.451 0.000 0.973 292 E CA 0.941 57.202 56.400 -0.231 0.000 0.829 292 E CB 0.192 29.727 29.700 -0.274 0.000 0.781 292 E HN 0.868 nan 8.360 nan 0.000 0.466 293 H N -1.643 117.426 119.070 -0.003 0.000 2.855 293 H HA 0.224 4.778 4.556 -0.003 0.000 0.363 293 H C 1.256 176.562 175.328 -0.037 0.000 1.185 293 H CA 0.092 56.129 56.048 -0.017 0.000 1.174 293 H CB 1.211 30.963 29.762 -0.017 0.000 1.857 293 H HN -0.167 nan 8.280 nan 0.000 0.565 294 T N -1.265 113.337 114.554 0.081 0.000 2.720 294 T HA -0.198 4.150 4.350 -0.003 0.000 0.268 294 T C 1.521 176.199 174.700 -0.035 0.000 1.037 294 T CA 1.422 63.508 62.100 -0.024 0.000 1.144 294 T CB -0.036 68.799 68.868 -0.055 0.000 0.864 294 T HN 0.488 nan 8.240 nan 0.000 0.444 295 E N 1.932 122.131 120.200 -0.001 0.000 2.065 295 E HA -0.169 4.179 4.350 -0.003 0.000 0.201 295 E C 2.656 179.234 176.600 -0.036 0.000 1.016 295 E CA 1.736 58.121 56.400 -0.025 0.000 0.818 295 E CB -0.853 28.834 29.700 -0.022 0.000 0.749 295 E HN 0.663 nan 8.360 nan 0.000 0.453 296 A N 0.595 123.412 122.820 -0.006 0.000 1.969 296 A HA -0.139 4.179 4.320 -0.003 0.000 0.218 296 A C 2.401 179.947 177.584 -0.064 0.000 1.169 296 A CA 1.801 53.824 52.037 -0.023 0.000 0.635 296 A CB -0.502 18.512 19.000 0.022 0.000 0.810 296 A HN 0.239 nan 8.150 nan 0.000 0.445 297 S N -0.406 115.263 115.700 -0.052 0.000 2.348 297 S HA -0.184 4.284 4.470 -0.003 0.000 0.221 297 S C 2.063 176.566 174.600 -0.161 0.000 1.033 297 S CA 1.856 60.017 58.200 -0.065 0.000 1.010 297 S CB -0.268 62.897 63.200 -0.059 0.000 0.891 297 S HN 0.616 nan 8.310 nan 0.000 0.442 298 K N 0.795 121.088 120.400 -0.178 0.000 2.057 298 K HA 0.026 4.344 4.320 -0.003 0.000 0.207 298 K C 2.374 178.858 176.600 -0.194 0.000 1.049 298 K CA 1.034 57.196 56.287 -0.209 0.000 0.931 298 K CB -0.406 32.004 32.500 -0.150 0.000 0.714 298 K HN 0.417 nan 8.250 nan 0.000 0.440 299 A N 1.557 124.291 122.820 -0.144 0.000 1.958 299 A HA -0.190 4.128 4.320 -0.003 0.000 0.221 299 A C 2.042 179.536 177.584 -0.150 0.000 1.178 299 A CA 1.422 53.381 52.037 -0.129 0.000 0.642 299 A CB -0.750 18.192 19.000 -0.097 0.000 0.816 299 A HN 0.212 nan 8.150 nan 0.000 0.453 300 L N -0.397 120.719 121.223 -0.178 0.000 2.265 300 L HA -0.200 4.138 4.340 -0.003 0.000 0.215 300 L C 2.186 178.988 176.870 -0.113 0.000 1.117 300 L CA 0.781 55.510 54.840 -0.185 0.000 0.782 300 L CB -0.693 41.243 42.059 -0.205 0.000 0.914 300 L HN 0.392 nan 8.230 nan 0.000 0.441 301 N N 0.820 119.422 118.700 -0.163 0.000 2.025 301 N HA -0.192 4.546 4.740 -0.003 0.000 0.194 301 N C 1.931 177.374 175.510 -0.112 0.000 1.044 301 N CA 1.501 54.454 53.050 -0.162 0.000 0.851 301 N CB -0.292 37.971 38.487 -0.373 0.000 1.036 301 N HN 0.228 nan 8.380 nan 0.000 0.422 302 R N 1.102 121.517 120.500 -0.142 0.000 2.092 302 R HA 0.192 4.530 4.340 -0.003 0.000 0.231 302 R C 0.853 177.122 176.300 -0.051 0.000 1.119 302 R CA 0.601 56.648 56.100 -0.088 0.000 0.970 302 R CB -0.675 29.569 30.300 -0.093 0.000 0.864 302 R HN 0.211 nan 8.270 nan 0.000 0.440 303 A N 2.511 125.295 122.820 -0.060 0.000 2.586 303 A HA 0.077 4.395 4.320 -0.003 0.000 0.231 303 A C -1.660 175.917 177.584 -0.012 0.000 1.055 303 A CA -0.543 51.471 52.037 -0.037 0.000 0.756 303 A CB -0.139 18.827 19.000 -0.057 0.000 0.988 303 A HN 0.126 nan 8.150 nan 0.000 0.509 304 P HA 0.384 nan 4.420 nan 0.000 0.304 304 P C 0.982 178.295 177.300 0.022 0.000 1.355 304 P CA 0.661 63.768 63.100 0.011 0.000 0.838 304 P CB -0.301 31.404 31.700 0.007 0.000 2.121 305 G N 1.297 110.109 108.800 0.019 0.000 2.568 305 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.797 305 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.797 305 G C -2.079 172.834 174.900 0.022 0.000 1.336 305 G CA 0.160 45.271 45.100 0.019 0.000 0.908 305 G HN 0.562 nan 8.290 nan 0.000 0.533 309 V N 5.257 125.153 119.914 -0.030 0.000 2.638 309 V HA 0.672 4.790 4.120 -0.003 0.000 0.306 309 V C -1.150 174.870 176.094 -0.123 0.000 1.052 309 V CA -0.651 61.597 62.300 -0.086 0.000 0.885 309 V CB 1.899 33.566 31.823 -0.259 0.000 0.999 309 V HN 0.615 nan 8.190 nan 0.000 0.424 310 L N 4.080 125.245 121.223 -0.098 0.000 2.325 310 L HA 0.940 5.278 4.340 -0.003 0.000 0.281 310 L C 0.146 176.955 176.870 -0.102 0.000 1.004 310 L CA -0.121 54.667 54.840 -0.087 0.000 0.823 310 L CB 1.608 43.642 42.059 -0.042 0.000 1.236 310 L HN 0.893 nan 8.230 nan 0.000 0.415 311 A N 1.757 124.513 122.820 -0.107 0.000 2.539 311 A HA 0.816 5.134 4.320 -0.003 0.000 0.296 311 A C 0.026 177.596 177.584 -0.023 0.000 1.073 311 A CA -0.293 51.704 52.037 -0.067 0.000 0.700 311 A CB 1.109 20.052 19.000 -0.096 0.000 1.296 311 A HN 0.750 nan 8.150 nan 0.000 0.405 312 G N 0.129 108.939 108.800 0.016 0.000 2.349 312 G HA2 0.484 4.442 3.960 -0.003 0.000 0.232 312 G HA3 0.484 4.442 3.960 -0.003 0.000 0.232 312 G C 0.507 175.436 174.900 0.049 0.000 1.240 312 G CA 1.311 46.435 45.100 0.040 0.000 0.870 312 G HN 2.296 nan 8.290 nan 0.000 0.528 313 S N 0.066 115.805 115.700 0.065 0.000 3.576 313 S HA -0.007 4.461 4.470 -0.003 0.000 0.658 313 S C 0.906 175.498 174.600 -0.013 0.000 0.560 313 S CA 0.658 58.908 58.200 0.084 0.000 1.438 313 S CB -1.186 62.074 63.200 0.101 0.000 0.937 313 S HN 2.098 nan 8.310 nan 0.000 0.998 317 A N 0.154 123.036 122.820 0.104 0.000 1.938 317 A HA 0.160 4.478 4.320 -0.003 0.000 0.256 317 A C 0.660 178.302 177.584 0.096 0.000 1.315 317 A CA 1.541 53.631 52.037 0.088 0.000 0.744 317 A CB -1.775 17.271 19.000 0.077 0.000 1.186 317 A HN 1.405 nan 8.150 nan 0.000 0.294 318 G N -0.426 108.435 108.800 0.101 0.000 3.958 318 G HA2 0.656 4.614 3.960 -0.003 0.000 0.127 318 G HA3 0.656 4.614 3.960 -0.003 0.000 0.127 318 G C 0.761 175.725 174.900 0.108 0.000 1.260 318 G CA 1.415 46.577 45.100 0.103 0.000 1.105 318 G HN 2.073 nan 8.290 nan 0.000 0.431 319 G N -0.482 108.388 108.800 0.117 0.000 3.198 319 G HA2 0.388 4.346 3.960 -0.003 0.000 0.166 319 G HA3 0.388 4.346 3.960 -0.003 0.000 0.166 319 G C 0.679 175.677 174.900 0.162 0.000 1.134 319 G CA 0.420 45.595 45.100 0.125 0.000 0.941 319 G HN 0.286 nan 8.290 nan 0.000 0.639 320 R N -0.602 119.955 120.500 0.095 0.000 2.178 320 R HA -0.178 4.160 4.340 -0.003 0.000 0.257 320 R C 2.343 178.816 176.300 0.290 0.000 1.163 320 R CA 1.686 57.851 56.100 0.107 0.000 0.981 320 R CB -0.533 29.825 30.300 0.097 0.000 0.878 320 R HN 0.331 nan 8.270 nan 0.000 0.454 321 I N 1.351 122.053 120.570 0.220 0.000 2.335 321 I HA -0.237 3.931 4.170 -0.003 0.000 0.251 321 I C 1.867 178.116 176.117 0.219 0.000 1.129 321 I CA 1.348 62.772 61.300 0.207 0.000 1.402 321 I CB -0.164 37.884 38.000 0.079 0.000 1.069 321 I HN 0.137 nan 8.210 nan 0.000 0.424 322 L N -0.632 120.715 121.223 0.207 0.000 2.017 322 L HA -0.243 4.095 4.340 -0.003 0.000 0.208 322 L C 2.560 179.505 176.870 0.124 0.000 1.073 322 L CA 1.516 56.444 54.840 0.145 0.000 0.745 322 L CB -1.170 40.955 42.059 0.111 0.000 0.894 322 L HN 0.364 nan 8.230 nan 0.000 0.432 323 H N -1.266 117.824 119.070 0.034 0.000 2.456 323 H HA -0.153 4.401 4.556 -0.003 0.000 0.296 323 H C 2.082 177.407 175.328 -0.005 0.000 1.079 323 H CA 1.475 57.529 56.048 0.011 0.000 1.322 323 H CB 0.021 29.732 29.762 -0.085 0.000 1.388 323 H HN 0.513 nan 8.280 nan 0.000 0.538 324 H N -0.490 118.691 119.070 0.185 0.000 2.502 324 H HA -0.050 4.505 4.556 -0.003 0.000 0.283 324 H C 1.849 177.221 175.328 0.073 0.000 1.015 324 H CA 0.278 56.388 56.048 0.103 0.000 1.298 324 H CB 0.409 30.195 29.762 0.039 0.000 1.411 324 H HN 0.097 nan 8.280 nan 0.000 0.556 325 L N 0.498 121.814 121.223 0.154 0.000 2.127 325 L HA -0.011 4.327 4.340 -0.003 0.000 0.203 325 L C 2.287 179.160 176.870 0.005 0.000 1.080 325 L CA 1.391 56.269 54.840 0.064 0.000 0.768 325 L CB -0.490 41.597 42.059 0.046 0.000 0.924 325 L HN 0.099 nan 8.230 nan 0.000 0.444 326 K N -0.849 119.527 120.400 -0.040 0.000 2.001 326 K HA -0.166 4.152 4.320 -0.003 0.000 0.214 326 K C 0.032 176.458 176.600 -0.291 0.000 1.050 326 K CA 1.280 57.441 56.287 -0.210 0.000 0.934 326 K CB -0.127 32.169 32.500 -0.340 0.000 0.718 326 K HN 0.313 nan 8.250 nan 0.000 0.443 327 H N -1.130 117.926 119.070 -0.024 0.000 2.481 327 H HA 0.405 4.959 4.556 -0.003 0.000 0.339 327 H C -0.071 175.258 175.328 0.000 0.000 1.131 327 H CA 0.241 56.279 56.048 -0.017 0.000 1.301 327 H CB 1.614 31.359 29.762 -0.027 0.000 1.476 327 H HN 0.526 nan 8.280 nan 0.000 0.529 328 G N 0.881 109.739 108.800 0.096 0.000 2.892 328 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.686 328 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.686 328 G C 0.044 174.962 174.900 0.030 0.000 1.244 328 G CA 0.071 45.208 45.100 0.061 0.000 0.947 328 G HN 1.160 nan 8.290 nan 0.000 0.584 329 L N -0.047 121.183 121.223 0.011 0.000 2.126 329 L HA -0.161 4.177 4.340 -0.003 0.000 0.482 329 L C 1.936 178.801 176.870 -0.008 0.000 0.738 329 L CA 3.076 57.914 54.840 -0.003 0.000 2.764 329 L CB -1.645 40.409 42.059 -0.007 0.000 0.966 329 L HN 2.240 nan 8.230 nan 0.000 0.645 330 S N -1.722 113.974 115.700 -0.008 0.000 2.539 330 S HA 0.361 4.830 4.470 -0.003 0.000 0.221 330 S C 0.466 175.064 174.600 -0.003 0.000 0.987 330 S CA 0.260 58.453 58.200 -0.011 0.000 0.929 330 S CB 0.191 63.379 63.200 -0.020 0.000 0.832 330 S HN 0.521 nan 8.310 nan 0.000 0.492 331 D N 2.295 122.697 120.400 0.002 0.000 2.308 331 D HA 0.357 4.995 4.640 -0.003 0.000 0.242 331 D C -1.979 174.323 176.300 0.002 0.000 1.059 331 D CA -2.293 51.710 54.000 0.004 0.000 0.830 331 D CB 2.415 43.221 40.800 0.010 0.000 1.161 331 D HN -0.035 nan 8.370 nan 0.000 0.494 332 P HA -0.021 nan 4.420 nan 0.000 0.233 332 P C 0.921 178.224 177.300 0.004 0.000 1.167 332 P CA 0.362 63.463 63.100 0.001 0.000 0.770 332 P CB 0.616 32.316 31.700 0.001 0.000 0.837 333 R N -0.729 119.773 120.500 0.003 0.000 2.148 333 R HA 0.020 4.358 4.340 -0.003 0.000 0.223 333 R C 1.026 177.326 176.300 0.000 0.000 1.088 333 R CA 0.517 56.618 56.100 0.001 0.000 0.985 333 R CB -0.325 29.975 30.300 0.001 0.000 0.880 333 R HN 0.280 nan 8.270 nan 0.000 0.451 334 N N 0.228 118.929 118.700 0.002 0.000 2.379 334 N HA 0.335 5.074 4.740 -0.003 0.000 0.260 334 N C -0.799 174.715 175.510 0.006 0.000 1.254 334 N CA 0.054 53.103 53.050 -0.002 0.000 0.958 334 N CB 0.979 39.467 38.487 0.001 0.000 1.208 334 N HN 0.090 nan 8.380 nan 0.000 0.532 335 A N 0.400 123.219 122.820 -0.002 0.000 2.427 335 A HA 0.463 4.781 4.320 -0.003 0.000 0.298 335 A C -1.037 176.540 177.584 -0.011 0.000 1.036 335 A CA -0.639 51.420 52.037 0.036 0.000 0.701 335 A CB 0.835 19.864 19.000 0.048 0.000 1.250 335 A HN 0.592 nan 8.150 nan 0.000 0.412 336 L N 3.465 124.678 121.223 -0.018 0.000 2.264 336 L HA 0.677 5.016 4.340 -0.003 0.000 0.289 336 L C -1.275 175.528 176.870 -0.112 0.000 1.044 336 L CA -0.598 54.153 54.840 -0.149 0.000 0.807 336 L CB 1.230 43.160 42.059 -0.216 0.000 1.192 336 L HN 0.465 nan 8.230 nan 0.000 0.425 337 V N 5.564 125.363 119.914 -0.192 0.000 2.376 337 V HA 0.339 4.457 4.120 -0.003 0.000 0.287 337 V C -0.403 175.607 176.094 -0.139 0.000 1.015 337 V CA -0.478 61.779 62.300 -0.071 0.000 0.834 337 V CB 1.386 33.174 31.823 -0.058 0.000 1.001 337 V HN 0.457 nan 8.190 nan 0.000 0.428 338 F N 4.069 124.055 119.950 0.061 0.000 2.396 338 F HA 0.479 5.004 4.527 -0.003 0.000 0.343 338 F C 0.771 176.565 175.800 -0.010 0.000 1.104 338 F CA -0.425 57.584 58.000 0.014 0.000 1.161 338 F CB 1.833 40.855 39.000 0.038 0.000 1.146 338 F HN 0.370 nan 8.300 nan 0.000 0.522 339 V N 0.614 120.600 119.914 0.121 0.000 2.841 339 V HA 0.820 4.939 4.120 -0.003 0.000 0.363 339 V C -0.124 175.999 176.094 0.048 0.000 1.330 339 V CA -0.082 62.209 62.300 -0.015 0.000 1.207 339 V CB 0.087 31.693 31.823 -0.361 0.000 1.318 339 V HN 0.892 nan 8.190 nan 0.000 0.603 340 G N -0.700 108.142 108.800 0.070 0.000 2.658 340 G HA2 0.468 4.426 3.960 -0.003 0.000 0.301 340 G HA3 0.468 4.426 3.960 -0.003 0.000 0.301 340 G C -1.300 173.651 174.900 0.085 0.000 1.481 340 G CA -0.747 44.419 45.100 0.109 0.000 0.931 340 G HN 0.186 nan 8.290 nan 0.000 0.573 341 Y N 1.064 121.521 120.300 0.263 0.000 2.597 341 Y HA 0.199 4.747 4.550 -0.003 0.000 0.336 341 Y C 1.006 176.951 175.900 0.074 0.000 1.216 341 Y CA 0.030 58.233 58.100 0.171 0.000 1.463 341 Y CB 0.724 39.351 38.460 0.278 0.000 1.303 341 Y HN 0.210 nan 8.280 nan 0.000 0.576 342 Q N 5.372 125.216 119.800 0.074 0.000 2.303 342 Q HA 0.280 4.618 4.340 -0.003 0.000 0.257 342 Q C -2.164 173.853 176.000 0.028 0.000 0.941 342 Q CA -2.225 53.547 55.803 -0.052 0.000 0.931 342 Q CB 0.886 29.419 28.738 -0.341 0.000 1.215 342 Q HN 0.460 nan 8.270 nan 0.000 0.437 343 P HA -0.012 nan 4.420 nan 0.000 0.268 343 P C -0.534 176.775 177.300 0.014 0.000 1.208 343 P CA -0.010 63.115 63.100 0.042 0.000 0.777 343 P CB 0.950 32.684 31.700 0.056 0.000 0.875 344 Q N 0.068 119.871 119.800 0.005 0.000 2.340 344 Q HA 0.408 4.746 4.340 -0.003 0.000 0.249 344 Q C 0.991 176.994 176.000 0.005 0.000 0.957 344 Q CA 0.333 56.136 55.803 0.000 0.000 0.882 344 Q CB 0.588 29.323 28.738 -0.006 0.000 1.235 344 Q HN 0.869 nan 8.270 nan 0.000 0.439 345 G N 0.964 109.767 108.800 0.006 0.000 2.142 345 G HA2 -0.160 3.799 3.960 -0.003 0.000 0.225 345 G HA3 -0.160 3.799 3.960 -0.003 0.000 0.225 345 G C 0.033 174.944 174.900 0.018 0.000 1.015 345 G CA -0.240 44.866 45.100 0.010 0.000 0.716 345 G HN 0.892 nan 8.290 nan 0.000 0.508 346 G N -1.250 107.562 108.800 0.020 0.000 2.660 346 G HA2 0.713 4.672 3.960 -0.003 0.000 0.294 346 G HA3 0.713 4.672 3.960 -0.003 0.000 0.294 346 G C -0.337 174.583 174.900 0.034 0.000 1.369 346 G CA -0.433 44.686 45.100 0.032 0.000 0.912 346 G HN 1.166 nan 8.290 nan 0.000 0.479 347 L N 1.196 122.449 121.223 0.050 0.000 2.573 347 L HA 0.406 4.744 4.340 -0.003 0.000 0.290 347 L C 1.468 178.389 176.870 0.084 0.000 1.247 347 L CA 2.685 57.565 54.840 0.066 0.000 0.876 347 L CB 0.505 42.610 42.059 0.077 0.000 1.123 347 L HN 1.840 nan 8.230 nan 0.000 0.505 348 G N 2.788 111.651 108.800 0.106 0.000 3.047 348 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.203 348 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.203 348 G C 0.916 175.790 174.900 -0.042 0.000 1.444 348 G CA 0.431 45.595 45.100 0.106 0.000 1.020 348 G HN 1.337 nan 8.290 nan 0.000 0.563 349 A N 0.844 123.629 122.820 -0.058 0.000 1.898 349 A HA 0.183 4.501 4.320 -0.003 0.000 0.216 349 A C 2.001 179.584 177.584 -0.001 0.000 1.181 349 A CA 2.554 54.562 52.037 -0.048 0.000 0.620 349 A CB -0.575 18.410 19.000 -0.026 0.000 0.819 349 A HN 0.827 nan 8.150 nan 0.000 0.442 350 E N 0.021 120.231 120.200 0.017 0.000 2.023 350 E HA -0.216 4.132 4.350 -0.003 0.000 0.196 350 E C 1.844 178.469 176.600 0.042 0.000 1.003 350 E CA 1.701 58.118 56.400 0.028 0.000 0.809 350 E CB -0.309 29.409 29.700 0.031 0.000 0.755 350 E HN 0.621 nan 8.360 nan 0.000 0.449 351 I N 1.187 121.800 120.570 0.072 0.000 2.264 351 I HA -0.282 3.887 4.170 -0.003 0.000 0.248 351 I C 2.272 178.446 176.117 0.095 0.000 1.111 351 I CA 0.555 61.914 61.300 0.098 0.000 1.382 351 I CB -0.249 37.853 38.000 0.171 0.000 1.060 351 I HN 0.303 nan 8.210 nan 0.000 0.418 352 I N 1.043 121.664 120.570 0.085 0.000 2.286 352 I HA -0.262 3.906 4.170 -0.003 0.000 0.248 352 I C 2.822 178.964 176.117 0.041 0.000 1.115 352 I CA 1.582 62.921 61.300 0.065 0.000 1.392 352 I CB -1.497 36.511 38.000 0.014 0.000 1.065 352 I HN 0.199 nan 8.210 nan 0.000 0.418 353 A N 0.318 123.157 122.820 0.031 0.000 2.019 353 A HA -0.194 4.125 4.320 -0.003 0.000 0.219 353 A C 1.555 179.152 177.584 0.021 0.000 1.164 353 A CA 1.318 53.369 52.037 0.023 0.000 0.644 353 A CB -0.340 18.671 19.000 0.019 0.000 0.805 353 A HN 0.450 nan 8.150 nan 0.000 0.449 354 R N -1.740 118.775 120.500 0.025 0.000 3.281 354 R HA -0.089 4.250 4.340 -0.003 0.000 0.271 354 R C -2.518 173.789 176.300 0.013 0.000 1.099 354 R CA 0.595 56.706 56.100 0.018 0.000 0.732 354 R CB -2.944 27.362 30.300 0.011 0.000 1.269 354 R HN 0.444 nan 8.270 nan 0.000 0.412 355 P HA 0.132 nan 4.420 nan 0.000 0.271 355 P C -1.748 175.555 177.300 0.005 0.000 1.244 355 P CA -0.889 62.216 63.100 0.009 0.000 0.793 355 P CB 0.371 32.077 31.700 0.010 0.000 0.984 356 P HA -0.043 nan 4.420 nan 0.000 0.218 356 P C 0.252 177.551 177.300 -0.002 0.000 1.149 356 P CA 1.518 64.618 63.100 -0.000 0.000 0.817 356 P CB 0.206 31.906 31.700 -0.001 0.000 0.785 357 A N -1.760 121.058 122.820 -0.002 0.000 2.608 357 A HA 0.595 4.913 4.320 -0.003 0.000 0.292 357 A C -1.515 176.066 177.584 -0.004 0.000 1.066 357 A CA -0.465 51.568 52.037 -0.006 0.000 0.676 357 A CB 1.508 20.501 19.000 -0.011 0.000 1.277 357 A HN -0.138 nan 8.150 nan 0.000 0.413 358 V N 0.648 120.557 119.914 -0.008 0.000 3.040 358 V HA 0.626 4.744 4.120 -0.003 0.000 0.312 358 V C -0.089 175.995 176.094 -0.016 0.000 1.115 358 V CA -0.749 61.549 62.300 -0.004 0.000 0.998 358 V CB 2.123 33.951 31.823 0.008 0.000 1.042 358 V HN 0.926 nan 8.190 nan 0.000 0.433 359 R N 3.241 123.734 120.500 -0.013 0.000 2.207 359 R HA 0.709 5.047 4.340 -0.003 0.000 0.334 359 R C -1.481 174.804 176.300 -0.025 0.000 1.013 359 R CA -0.250 55.836 56.100 -0.023 0.000 0.858 359 R CB 0.571 30.861 30.300 -0.016 0.000 1.094 359 R HN 0.672 nan 8.270 nan 0.000 0.457 360 I N 5.377 125.919 120.570 -0.047 0.000 2.569 360 I HA 0.188 4.357 4.170 -0.003 0.000 0.290 360 I C -0.527 175.536 176.117 -0.090 0.000 1.088 360 I CA -1.139 60.127 61.300 -0.055 0.000 1.047 360 I CB 2.018 39.982 38.000 -0.059 0.000 1.237 360 I HN 0.528 nan 8.210 nan 0.000 0.421 361 L N 6.195 127.367 121.223 -0.085 0.000 3.795 361 L HA -0.189 4.149 4.340 -0.003 0.000 0.489 361 L C 1.300 178.119 176.870 -0.085 0.000 1.259 361 L CA 1.339 56.114 54.840 -0.108 0.000 0.765 361 L CB -2.162 39.767 42.059 -0.217 0.000 1.519 361 L HN 1.123 nan 8.230 nan 0.000 0.842 362 G N -0.231 108.536 108.800 -0.054 0.000 2.321 362 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.287 362 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.287 362 G C 0.306 175.177 174.900 -0.049 0.000 1.018 362 G CA 0.991 46.066 45.100 -0.042 0.000 0.855 362 G HN 0.642 nan 8.290 nan 0.000 0.507 363 E N -1.181 118.981 120.200 -0.062 0.000 2.366 363 E HA 0.580 4.929 4.350 -0.003 0.000 0.278 363 E C -0.767 175.795 176.600 -0.063 0.000 0.923 363 E CA -0.861 55.497 56.400 -0.069 0.000 0.761 363 E CB 1.235 30.872 29.700 -0.105 0.000 1.231 363 E HN 0.146 nan 8.360 nan 0.000 0.443 364 E N 1.627 121.796 120.200 -0.053 0.000 2.081 364 E HA 0.418 4.766 4.350 -0.003 0.000 0.281 364 E C -1.435 175.134 176.600 -0.052 0.000 0.986 364 E CA -0.562 55.812 56.400 -0.043 0.000 0.796 364 E CB 1.235 30.917 29.700 -0.030 0.000 1.085 364 E HN 0.227 nan 8.360 nan 0.000 0.398 365 V N 5.799 125.681 119.914 -0.053 0.000 2.384 365 V HA 0.603 4.721 4.120 -0.003 0.000 0.287 365 V C -2.579 173.494 176.094 -0.036 0.000 1.020 365 V CA -2.732 59.534 62.300 -0.058 0.000 0.850 365 V CB 1.557 33.328 31.823 -0.087 0.000 0.987 365 V HN 0.631 nan 8.190 nan 0.000 0.436 366 P HA 0.054 nan 4.420 nan 0.000 0.262 366 P C -0.686 176.605 177.300 -0.016 0.000 1.182 366 P CA 0.092 63.180 63.100 -0.020 0.000 0.761 366 P CB 0.338 32.028 31.700 -0.018 0.000 0.795 367 L N 5.068 126.285 121.223 -0.010 0.000 2.352 367 L HA 0.248 4.586 4.340 -0.003 0.000 0.272 367 L C 0.902 177.768 176.870 -0.007 0.000 1.109 367 L CA 0.415 55.252 54.840 -0.006 0.000 0.952 367 L CB -0.417 41.643 42.059 0.002 0.000 1.314 367 L HN 0.246 nan 8.230 nan 0.000 0.427 368 R N 2.684 123.179 120.500 -0.008 0.000 2.225 368 R HA 0.421 4.759 4.340 -0.003 0.000 0.194 368 R C 0.878 177.173 176.300 -0.009 0.000 0.957 368 R CA 0.335 56.431 56.100 -0.007 0.000 1.042 368 R CB 0.099 30.395 30.300 -0.006 0.000 1.004 368 R HN 0.621 nan 8.270 nan 0.000 0.509 369 A N 1.614 124.429 122.820 -0.009 0.000 2.448 369 A HA 0.141 4.459 4.320 -0.003 0.000 0.239 369 A C 0.342 177.913 177.584 -0.022 0.000 1.080 369 A CA -0.039 51.992 52.037 -0.010 0.000 0.779 369 A CB 0.437 19.431 19.000 -0.010 0.000 1.026 369 A HN 0.216 nan 8.150 nan 0.000 0.499 370 S N -0.094 115.597 115.700 -0.016 0.000 2.565 370 S HA 0.487 4.956 4.470 -0.003 0.000 0.276 370 S C -0.372 174.143 174.600 -0.141 0.000 1.326 370 S CA -0.398 57.769 58.200 -0.055 0.000 1.045 370 S CB 0.162 63.392 63.200 0.050 0.000 0.918 370 S HN 0.896 nan 8.310 nan 0.000 0.505 371 V N 5.745 125.442 119.914 -0.361 0.000 2.789 371 V HA 0.578 4.697 4.120 -0.003 0.000 0.311 371 V C -0.800 174.905 176.094 -0.647 0.000 1.073 371 V CA -0.746 61.364 62.300 -0.318 0.000 0.921 371 V CB 1.937 33.722 31.823 -0.062 0.000 1.009 371 V HN 1.003 nan 8.190 nan 0.000 0.426 372 H N 1.299 120.433 119.070 0.108 0.000 2.930 372 H HA 0.487 5.041 4.556 -0.003 0.000 0.371 372 H C -1.165 174.311 175.328 0.245 0.000 1.169 372 H CA -0.619 55.512 56.048 0.139 0.000 1.157 372 H CB 2.520 32.331 29.762 0.081 0.000 1.789 372 H HN 0.484 nan 8.280 nan 0.000 0.547 373 T N 3.430 118.181 114.554 0.328 0.000 2.842 373 T HA 0.293 4.641 4.350 -0.003 0.000 0.308 373 T C 0.324 175.156 174.700 0.219 0.000 1.041 373 T CA -0.597 61.673 62.100 0.284 0.000 0.964 373 T CB 0.044 69.029 68.868 0.196 0.000 0.972 373 T HN 0.266 nan 8.240 nan 0.000 0.460 374 L N 3.921 125.273 121.223 0.216 0.000 2.417 374 L HA 0.461 4.799 4.340 -0.003 0.000 0.258 374 L C 1.199 178.135 176.870 0.110 0.000 1.088 374 L CA -0.728 54.236 54.840 0.205 0.000 0.975 374 L CB 0.451 42.709 42.059 0.332 0.000 1.341 374 L HN 0.650 nan 8.230 nan 0.000 0.431 375 G N -0.149 108.620 108.800 -0.051 0.000 2.562 375 G HA2 0.493 4.451 3.960 -0.003 0.000 0.275 375 G HA3 0.493 4.451 3.960 -0.003 0.000 0.275 375 G C 0.811 175.663 174.900 -0.079 0.000 1.196 375 G CA 0.602 45.487 45.100 -0.359 0.000 0.908 375 G HN 0.721 nan 8.290 nan 0.000 0.524 376 G N -1.057 107.660 108.800 -0.138 0.000 2.436 376 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.204 376 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.204 376 G C 0.966 175.764 174.900 -0.170 0.000 1.026 376 G CA 0.423 45.458 45.100 -0.107 0.000 0.658 376 G HN 0.545 nan 8.290 nan 0.000 0.499 377 F N 2.838 122.721 119.950 -0.112 0.000 2.804 377 F HA 0.498 5.023 4.527 -0.003 0.000 0.303 377 F C 1.749 177.501 175.800 -0.079 0.000 1.154 377 F CA 0.835 58.810 58.000 -0.041 0.000 1.401 377 F CB 0.586 39.539 39.000 -0.078 0.000 1.106 377 F HN 0.180 nan 8.300 nan 0.000 0.568 378 S N -0.051 115.572 115.700 -0.129 0.000 2.562 378 S HA 0.250 4.718 4.470 -0.003 0.000 0.281 378 S C 1.327 175.862 174.600 -0.109 0.000 1.333 378 S CA -0.018 58.074 58.200 -0.181 0.000 1.052 378 S CB 0.883 63.725 63.200 -0.597 0.000 0.884 378 S HN 0.389 nan 8.310 nan 0.000 0.506 379 G N 2.893 111.733 108.800 0.067 0.000 3.314 379 G HA2 0.222 4.180 3.960 -0.003 0.000 0.238 379 G HA3 0.222 4.180 3.960 -0.003 0.000 0.238 379 G C -0.042 174.898 174.900 0.067 0.000 1.184 379 G CA -0.031 45.090 45.100 0.035 0.000 0.806 379 G HN 0.772 nan 8.290 nan 0.000 0.536 380 H N -1.163 117.982 119.070 0.125 0.000 2.731 380 H HA 0.621 5.175 4.556 -0.003 0.000 0.368 380 H C 0.267 175.668 175.328 0.122 0.000 1.168 380 H CA -0.325 55.812 56.048 0.148 0.000 1.181 380 H CB 1.788 31.733 29.762 0.304 0.000 1.743 380 H HN 0.152 nan 8.280 nan 0.000 0.547 381 A N 1.427 124.370 122.820 0.206 0.000 2.498 381 A HA 0.396 4.714 4.320 -0.003 0.000 0.239 381 A C 1.088 178.780 177.584 0.180 0.000 1.068 381 A CA 0.458 52.577 52.037 0.136 0.000 0.766 381 A CB -0.338 18.668 19.000 0.010 0.000 1.003 381 A HN 0.806 nan 8.150 nan 0.000 0.497 382 G N -0.321 108.554 108.800 0.126 0.000 2.489 382 G HA2 0.290 4.248 3.960 -0.003 0.000 0.271 382 G HA3 0.290 4.248 3.960 -0.003 0.000 0.271 382 G C 0.736 175.609 174.900 -0.046 0.000 1.427 382 G CA 0.472 45.467 45.100 -0.176 0.000 1.057 382 G HN 0.903 nan 8.290 nan 0.000 0.532 383 Q N -0.739 119.023 119.800 -0.063 0.000 1.994 383 Q HA -0.127 4.211 4.340 -0.003 0.000 0.198 383 Q C 2.214 178.224 176.000 0.017 0.000 0.976 383 Q CA 1.911 57.711 55.803 -0.004 0.000 0.828 383 Q CB -0.283 28.450 28.738 -0.009 0.000 0.894 383 Q HN 0.652 nan 8.270 nan 0.000 0.432 384 D N 0.453 120.861 120.400 0.015 0.000 2.149 384 D HA -0.265 4.373 4.640 -0.003 0.000 0.194 384 D C 1.448 177.776 176.300 0.047 0.000 1.001 384 D CA 1.855 55.873 54.000 0.031 0.000 0.849 384 D CB -0.587 40.232 40.800 0.031 0.000 0.939 384 D HN 0.495 nan 8.370 nan 0.000 0.449 385 E N 0.020 120.251 120.200 0.051 0.000 2.072 385 E HA -0.040 4.308 4.350 -0.003 0.000 0.191 385 E C 2.495 179.146 176.600 0.085 0.000 0.985 385 E CA 0.362 56.804 56.400 0.069 0.000 0.801 385 E CB -0.136 29.603 29.700 0.065 0.000 0.750 385 E HN 0.293 nan 8.360 nan 0.000 0.452 386 L N 0.783 122.043 121.223 0.062 0.000 2.079 386 L HA -0.227 4.111 4.340 -0.003 0.000 0.210 386 L C 2.406 179.349 176.870 0.121 0.000 1.081 386 L CA 0.887 55.769 54.840 0.071 0.000 0.752 386 L CB -0.288 41.798 42.059 0.045 0.000 0.896 386 L HN 0.170 nan 8.230 nan 0.000 0.433 387 L N -0.679 120.595 121.223 0.086 0.000 1.994 387 L HA -0.251 4.087 4.340 -0.003 0.000 0.208 387 L C 2.289 179.211 176.870 0.086 0.000 1.071 387 L CA 1.284 56.169 54.840 0.075 0.000 0.745 387 L CB -0.702 41.385 42.059 0.048 0.000 0.892 387 L HN 0.272 nan 8.230 nan 0.000 0.431 388 D N -0.959 119.495 120.400 0.090 0.000 2.149 388 D HA -0.252 4.386 4.640 -0.003 0.000 0.198 388 D C 1.778 178.144 176.300 0.111 0.000 0.990 388 D CA 1.217 55.266 54.000 0.081 0.000 0.839 388 D CB -0.274 40.574 40.800 0.080 0.000 0.948 388 D HN 0.425 nan 8.370 nan 0.000 0.460 389 W N 0.490 121.762 121.300 -0.047 0.000 2.436 389 W HA -0.059 4.599 4.660 -0.003 0.000 0.284 389 W C 1.515 177.977 176.519 -0.095 0.000 1.225 389 W CA 0.480 57.776 57.345 -0.082 0.000 1.271 389 W CB 0.094 29.493 29.460 -0.103 0.000 1.114 389 W HN -0.114 nan 8.180 nan 0.000 0.559 390 L N 0.746 122.073 121.223 0.174 0.000 2.509 390 L HA 0.066 4.404 4.340 -0.003 0.000 0.222 390 L C 1.042 177.882 176.870 -0.049 0.000 1.123 390 L CA 0.749 55.618 54.840 0.049 0.000 0.856 390 L CB -1.865 40.267 42.059 0.120 0.000 0.985 390 L HN 0.078 nan 8.230 nan 0.000 0.456 391 Q N 0.926 120.702 119.800 -0.040 0.000 2.485 391 Q HA 0.145 4.484 4.340 -0.003 0.000 0.348 391 Q C 1.177 177.130 176.000 -0.078 0.000 1.097 391 Q CA 1.316 57.091 55.803 -0.047 0.000 1.079 391 Q CB -0.012 28.703 28.738 -0.040 0.000 1.108 391 Q HN 0.430 nan 8.270 nan 0.000 0.400 392 G N 2.681 111.449 108.800 -0.052 0.000 2.179 392 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.257 392 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.257 392 G C -0.566 174.296 174.900 -0.063 0.000 1.010 392 G CA 0.299 45.367 45.100 -0.054 0.000 0.736 392 G HN 0.640 nan 8.290 nan 0.000 0.513 393 E N 0.718 120.882 120.200 -0.061 0.000 2.171 393 E HA 0.402 4.751 4.350 -0.003 0.000 0.271 393 E C -2.548 174.033 176.600 -0.032 0.000 0.916 393 E CA -1.789 54.575 56.400 -0.060 0.000 0.774 393 E CB 2.747 32.398 29.700 -0.081 0.000 1.128 393 E HN 0.254 nan 8.360 nan 0.000 0.403 394 P HA 0.286 nan 4.420 nan 0.000 0.292 394 P C -0.757 176.536 177.300 -0.011 0.000 1.287 394 P CA -0.396 62.695 63.100 -0.016 0.000 0.800 394 P CB 0.925 32.615 31.700 -0.016 0.000 0.945 395 R N 0.265 120.762 120.500 -0.005 0.000 2.093 395 R HA -0.035 4.303 4.340 -0.003 0.000 0.372 395 R C -1.205 175.099 176.300 0.006 0.000 1.105 395 R CA -0.007 56.093 56.100 -0.001 0.000 0.794 395 R CB -2.040 28.258 30.300 -0.004 0.000 2.512 395 R HN 0.332 nan 8.270 nan 0.000 0.483 396 V N 3.721 123.643 119.914 0.013 0.000 2.325 396 V HA 0.213 4.331 4.120 -0.003 0.000 0.280 396 V C 0.077 176.186 176.094 0.024 0.000 1.016 396 V CA -0.608 61.708 62.300 0.027 0.000 0.818 396 V CB 1.782 33.628 31.823 0.037 0.000 1.019 396 V HN 0.410 nan 8.190 nan 0.000 0.434 397 V N 7.298 127.223 119.914 0.019 0.000 2.339 397 V HA 0.358 4.476 4.120 -0.003 0.000 0.261 397 V C 0.159 176.265 176.094 0.021 0.000 1.058 397 V CA -0.377 61.929 62.300 0.011 0.000 0.897 397 V CB 0.596 32.414 31.823 -0.009 0.000 1.052 397 V HN 0.582 nan 8.190 nan 0.000 0.480 398 L N 6.598 127.840 121.223 0.032 0.000 2.499 398 L HA 0.361 4.699 4.340 -0.003 0.000 0.281 398 L C 0.511 177.416 176.870 0.060 0.000 1.234 398 L CA 0.893 55.761 54.840 0.047 0.000 0.839 398 L CB 0.719 42.805 42.059 0.045 0.000 1.104 398 L HN 0.555 nan 8.230 nan 0.000 0.500 399 V N 0.539 120.510 119.914 0.095 0.000 3.098 399 V HA 0.308 4.427 4.120 -0.003 0.000 0.310 399 V C -0.179 176.046 176.094 0.218 0.000 1.515 399 V CA -0.693 61.694 62.300 0.145 0.000 1.020 399 V CB 1.465 33.369 31.823 0.134 0.000 1.053 399 V HN 0.945 nan 8.190 nan 0.000 0.476 400 H N 0.411 119.558 119.070 0.128 0.000 2.262 400 H HA -0.090 4.464 4.556 -0.003 0.000 0.319 400 H C -0.274 175.074 175.328 0.033 0.000 0.947 400 H CA 1.607 57.718 56.048 0.105 0.000 1.060 400 H CB -1.055 28.803 29.762 0.159 0.000 1.605 400 H HN 1.493 nan 8.280 nan 0.000 0.346 401 G N 1.964 110.814 108.800 0.084 0.000 2.411 401 G HA2 0.261 4.219 3.960 -0.003 0.000 0.295 401 G HA3 0.261 4.219 3.960 -0.003 0.000 0.295 401 G C -1.220 173.670 174.900 -0.016 0.000 1.542 401 G CA -0.751 44.364 45.100 0.024 0.000 0.814 401 G HN 0.268 nan 8.290 nan 0.000 0.557 402 E N 0.745 120.912 120.200 -0.056 0.000 2.415 402 E HA 0.034 4.382 4.350 -0.003 0.000 0.260 402 E C 1.109 177.693 176.600 -0.027 0.000 1.016 402 E CA 0.042 56.414 56.400 -0.048 0.000 0.924 402 E CB 1.672 31.328 29.700 -0.074 0.000 0.961 402 E HN 0.661 nan 8.360 nan 0.000 0.459 403 E N 3.307 123.500 120.200 -0.011 0.000 2.136 403 E HA -0.357 3.991 4.350 -0.003 0.000 0.208 403 E C 0.981 177.577 176.600 -0.008 0.000 1.035 403 E CA 2.113 58.512 56.400 -0.002 0.000 0.838 403 E CB 0.241 29.942 29.700 0.001 0.000 0.748 403 E HN 0.467 nan 8.360 nan 0.000 0.459 404 E N 0.572 120.762 120.200 -0.017 0.000 2.058 404 E HA -0.176 4.172 4.350 -0.003 0.000 0.194 404 E C 2.028 178.615 176.600 -0.023 0.000 0.997 404 E CA 1.463 57.852 56.400 -0.019 0.000 0.801 404 E CB -0.185 29.500 29.700 -0.025 0.000 0.746 404 E HN 0.202 nan 8.360 nan 0.000 0.450 405 K N -0.133 120.246 120.400 -0.036 0.000 2.097 405 K HA -0.064 4.255 4.320 -0.003 0.000 0.205 405 K C 1.844 178.432 176.600 -0.019 0.000 1.050 405 K CA 0.656 56.918 56.287 -0.042 0.000 0.938 405 K CB -0.127 32.325 32.500 -0.080 0.000 0.718 405 K HN -0.022 nan 8.250 nan 0.000 0.442 406 L N 0.400 121.618 121.223 -0.008 0.000 2.017 406 L HA -0.186 4.153 4.340 -0.003 0.000 0.208 406 L C 1.958 178.833 176.870 0.008 0.000 1.073 406 L CA 1.380 56.225 54.840 0.009 0.000 0.745 406 L CB -0.677 41.394 42.059 0.021 0.000 0.894 406 L HN 0.117 nan 8.230 nan 0.000 0.432 407 L N -0.417 120.808 121.223 0.004 0.000 2.012 407 L HA -0.199 4.139 4.340 -0.003 0.000 0.210 407 L C 2.659 179.530 176.870 0.002 0.000 1.073 407 L CA 2.119 56.962 54.840 0.004 0.000 0.748 407 L CB -1.642 40.418 42.059 0.000 0.000 0.891 407 L HN 0.285 nan 8.230 nan 0.000 0.431 408 A N -1.173 121.646 122.820 -0.002 0.000 1.986 408 A HA -0.225 4.093 4.320 -0.003 0.000 0.220 408 A C 2.267 179.853 177.584 0.004 0.000 1.171 408 A CA 1.974 54.010 52.037 -0.002 0.000 0.640 408 A CB -0.736 18.259 19.000 -0.009 0.000 0.811 408 A HN 0.375 nan 8.150 nan 0.000 0.451 409 L N -0.291 120.936 121.223 0.007 0.000 1.982 409 L HA 0.110 4.449 4.340 -0.003 0.000 0.206 409 L C 2.512 179.392 176.870 0.016 0.000 1.078 409 L CA 2.408 57.257 54.840 0.015 0.000 0.749 409 L CB -1.346 40.725 42.059 0.021 0.000 0.894 409 L HN 0.291 nan 8.230 nan 0.000 0.436 410 G N -0.458 108.352 108.800 0.016 0.000 2.550 410 G HA2 -0.425 3.533 3.960 -0.003 0.000 0.222 410 G HA3 -0.425 3.533 3.960 -0.003 0.000 0.222 410 G C 1.709 176.616 174.900 0.012 0.000 1.113 410 G CA 1.316 46.426 45.100 0.016 0.000 0.748 410 G HN 0.481 nan 8.290 nan 0.000 0.585 411 K N -0.078 120.328 120.400 0.009 0.000 1.991 411 K HA -0.023 4.295 4.320 -0.003 0.000 0.212 411 K C 2.586 179.191 176.600 0.009 0.000 1.049 411 K CA 1.284 57.575 56.287 0.007 0.000 0.932 411 K CB -0.344 32.160 32.500 0.006 0.000 0.717 411 K HN 0.353 nan 8.250 nan 0.000 0.441 412 L N 1.112 122.341 121.223 0.010 0.000 2.042 412 L HA -0.236 4.102 4.340 -0.003 0.000 0.210 412 L C 2.471 179.349 176.870 0.013 0.000 1.076 412 L CA 1.181 56.028 54.840 0.012 0.000 0.749 412 L CB -0.461 41.606 42.059 0.014 0.000 0.893 412 L HN 0.288 nan 8.230 nan 0.000 0.432 413 L N -0.604 120.629 121.223 0.015 0.000 2.127 413 L HA -0.225 4.113 4.340 -0.003 0.000 0.211 413 L C 2.819 179.695 176.870 0.010 0.000 1.089 413 L CA 1.157 56.007 54.840 0.015 0.000 0.757 413 L CB -0.758 41.312 42.059 0.020 0.000 0.899 413 L HN 0.286 nan 8.230 nan 0.000 0.434 414 A N -0.011 122.814 122.820 0.009 0.000 1.897 414 A HA -0.099 4.219 4.320 -0.003 0.000 0.215 414 A C 2.233 179.820 177.584 0.005 0.000 1.181 414 A CA 0.969 53.009 52.037 0.006 0.000 0.620 414 A CB -0.566 18.438 19.000 0.006 0.000 0.821 414 A HN 0.318 nan 8.150 nan 0.000 0.443 415 L N -1.179 120.047 121.223 0.006 0.000 2.131 415 L HA -0.162 4.176 4.340 -0.003 0.000 0.210 415 L C 2.785 179.657 176.870 0.004 0.000 1.092 415 L CA 1.378 56.221 54.840 0.005 0.000 0.759 415 L CB -0.327 41.736 42.059 0.005 0.000 0.903 415 L HN 0.373 nan 8.230 nan 0.000 0.435 416 R N -0.428 120.075 120.500 0.005 0.000 2.148 416 R HA -0.059 4.279 4.340 -0.003 0.000 0.223 416 R C 1.194 177.494 176.300 0.000 0.000 1.088 416 R CA 0.970 57.071 56.100 0.003 0.000 0.985 416 R CB 0.084 30.387 30.300 0.005 0.000 0.880 416 R HN 0.466 nan 8.270 nan 0.000 0.451 417 G N -0.456 108.345 108.800 0.001 0.000 2.164 417 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.154 417 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.154 417 G C -0.471 174.427 174.900 -0.002 0.000 1.014 417 G CA -0.525 44.574 45.100 -0.002 0.000 0.683 417 G HN 0.307 nan 8.290 nan 0.000 0.500 418 Q N 0.122 119.922 119.800 -0.000 0.000 2.274 418 Q HA 0.518 4.856 4.340 -0.003 0.000 0.260 418 Q C -0.453 175.548 176.000 0.002 0.000 0.974 418 Q CA -0.581 55.222 55.803 -0.000 0.000 0.876 418 Q CB 1.686 30.425 28.738 0.002 0.000 1.297 418 Q HN 0.400 nan 8.270 nan 0.000 0.446 419 E N 1.571 121.771 120.200 0.001 0.000 2.003 419 E HA 0.165 4.513 4.350 -0.003 0.000 0.279 419 E C -0.986 175.617 176.600 0.005 0.000 1.132 419 E CA -0.214 56.187 56.400 0.001 0.000 0.888 419 E CB 1.135 30.834 29.700 -0.001 0.000 1.056 419 E HN 0.200 nan 8.360 nan 0.000 0.399 420 V N 3.225 123.143 119.914 0.007 0.000 2.716 420 V HA 0.628 4.746 4.120 -0.003 0.000 0.304 420 V C -0.661 175.438 176.094 0.008 0.000 1.053 420 V CA -0.124 62.182 62.300 0.010 0.000 0.984 420 V CB 1.695 33.526 31.823 0.013 0.000 1.021 420 V HN 0.740 nan 8.190 nan 0.000 0.467 421 S N 5.608 121.314 115.700 0.010 0.000 2.542 421 S HA 0.607 5.075 4.470 -0.003 0.000 0.276 421 S C -1.595 173.013 174.600 0.013 0.000 1.148 421 S CA -0.825 57.380 58.200 0.008 0.000 0.886 421 S CB 1.198 64.400 63.200 0.002 0.000 1.109 421 S HN 0.645 nan 8.310 nan 0.000 0.458 422 L N 2.682 123.915 121.223 0.015 0.000 2.292 422 L HA 0.752 5.091 4.340 -0.003 0.000 0.284 422 L C 0.969 177.853 176.870 0.023 0.000 1.065 422 L CA -0.047 54.807 54.840 0.024 0.000 0.806 422 L CB 0.789 42.863 42.059 0.026 0.000 1.175 422 L HN 1.056 nan 8.230 nan 0.000 0.431 423 A N 4.878 127.716 122.820 0.029 0.000 2.406 423 A HA 0.651 4.969 4.320 -0.003 0.000 0.243 423 A C 0.120 177.731 177.584 0.045 0.000 1.082 423 A CA -0.191 51.860 52.037 0.023 0.000 0.786 423 A CB 0.231 19.248 19.000 0.028 0.000 1.029 423 A HN 0.731 nan 8.150 nan 0.000 0.495 424 R N -0.172 120.346 120.500 0.031 0.000 2.574 424 R HA 0.348 4.686 4.340 -0.003 0.000 0.288 424 R C -1.038 175.302 176.300 0.067 0.000 1.004 424 R CA -0.620 55.521 56.100 0.068 0.000 0.895 424 R CB 1.570 31.898 30.300 0.047 0.000 1.191 424 R HN 0.666 nan 8.270 nan 0.000 0.444 425 F N 1.736 121.697 119.950 0.019 0.000 2.647 425 F HA -0.035 4.490 4.527 -0.003 0.000 0.363 425 F C 1.619 177.410 175.800 -0.015 0.000 1.130 425 F CA 2.446 60.467 58.000 0.034 0.000 1.351 425 F CB 0.510 39.570 39.000 0.100 0.000 1.026 425 F HN 0.899 nan 8.300 nan 0.000 0.607 426 G N 2.818 111.032 108.800 -0.977 0.000 2.230 426 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.270 426 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.270 426 G C 0.360 175.046 174.900 -0.358 0.000 0.987 426 G CA 0.680 45.408 45.100 -0.619 0.000 0.664 426 G HN 0.682 nan 8.290 nan 0.000 0.539 427 E N 1.506 121.537 120.200 -0.282 0.000 2.001 427 E HA 0.476 4.825 4.350 -0.003 0.000 0.279 427 E C 1.040 177.526 176.600 -0.190 0.000 1.045 427 E CA 0.161 56.463 56.400 -0.163 0.000 0.833 427 E CB 0.173 29.828 29.700 -0.075 0.000 1.077 427 E HN 0.414 nan 8.360 nan 0.000 0.397 428 G N 2.522 111.217 108.800 -0.175 0.000 2.353 428 G HA2 0.207 4.166 3.960 -0.003 0.000 0.239 428 G HA3 0.207 4.166 3.960 -0.003 0.000 0.239 428 G C -0.190 174.647 174.900 -0.104 0.000 1.295 428 G CA -0.276 44.732 45.100 -0.154 0.000 0.884 428 G HN 0.324 nan 8.290 nan 0.000 0.537 429 V N 6.016 125.870 119.914 -0.101 0.000 2.384 429 V HA 0.354 4.472 4.120 -0.003 0.000 0.287 429 V C -1.646 174.415 176.094 -0.056 0.000 1.020 429 V CA -1.514 60.745 62.300 -0.069 0.000 0.850 429 V CB 1.958 33.740 31.823 -0.067 0.000 0.987 429 V HN 0.728 nan 8.190 nan 0.000 0.436 430 P HA 0.311 nan 4.420 nan 0.000 0.271 430 P C -0.036 177.250 177.300 -0.024 0.000 1.218 430 P CA 0.525 63.608 63.100 -0.030 0.000 0.780 430 P CB 1.443 33.129 31.700 -0.023 0.000 0.901 431 V N 0.000 119.903 119.914 -0.019 0.000 2.409 431 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 431 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 431 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556