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 3e0j_1_A DATA FIRST_RESID -3 DATA SEQUENCE HHHGMFSEQA AQRAHTLLSP PSANNATFAR VPVATYTNSS QPFRLXXXXX DATA SEQUENCE XXXXXXXYAT RLIQMRPFLE NRAQQHWGSG VGVKKLCELQ PEEKCCVVGT DATA SEQUENCE LFKAMXXXXX XXXXXXXXXX XXXXXXXSKY IHPDDELVLE DELQRIKLKG DATA SEQUENCE TIDVSKLVTG TVLAVFGSVR DDGKFLVEDY CFADLAPQKP APPLDTDRFV DATA SEQUENCE LLVSGLGLGG GGGESLLGTQ LLVDVVTGQL GDEGEQCSAA HVSRVILAGN DATA SEQUENCE LLSHXXXXXX XXXXXXXLTK KTQAASVEAV KMLDEILLQL SASVPVDVMP DATA SEQUENCE GEFDPTNYTL PQQPLHPCMF PLATAYSTLQ LVTNPYQATI DGVRFLGTSG DATA SEQUENCE QNVSDIFRYS SMEDHLEILE WTLRVRHISP TAPDTXXXXX XYKTDPFIFP DATA SEQUENCE ECPHVYFCGN TPSFGSKIIR GPEDQTVLLV TVPDFSATQT AcLVNLRSLA DATA SEQUENCE cQPISFSGFG AEDDDLGGL 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 -3 H HA 0.000 nan 4.556 nan 0.000 0.296 -3 H C 0.000 175.182 175.328 -0.243 0.000 0.993 -3 H CA 0.000 55.990 56.048 -0.096 0.000 1.023 -3 H CB 0.000 29.706 29.762 -0.093 0.000 1.292 -2 H N 3.076 122.249 119.070 0.170 0.000 2.906 -2 H HA 0.316 4.872 4.556 -0.000 0.000 0.324 -2 H C -1.008 174.433 175.328 0.188 0.000 0.973 -2 H CA -0.189 55.944 56.048 0.141 0.000 1.321 -2 H CB 1.483 31.306 29.762 0.101 0.000 1.535 -2 H HN 0.753 nan 8.280 nan 0.000 0.518 -1 H N 1.169 120.322 119.070 0.139 0.000 2.907 -1 H HA 0.195 4.751 4.556 -0.000 0.000 0.283 -1 H C 0.477 175.836 175.328 0.052 0.000 1.210 -1 H CA -0.177 55.922 56.048 0.084 0.000 1.747 -1 H CB -0.122 29.667 29.762 0.044 0.000 2.151 -1 H HN 0.823 nan 8.280 nan 0.000 0.477 0 G N 3.808 112.961 108.800 0.589 0.000 2.137 0 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.237 0 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.237 0 G C 0.447 175.458 174.900 0.186 0.000 1.002 0 G CA 0.226 45.447 45.100 0.203 0.000 0.702 0 G HN 0.541 nan 8.290 nan 0.000 0.515 1 M N -0.785 118.958 119.600 0.239 0.000 2.219 1 M HA 0.292 4.772 4.480 -0.000 0.000 0.307 1 M C 1.685 178.221 176.300 0.393 0.000 1.116 1 M CA -0.256 55.210 55.300 0.277 0.000 1.181 1 M CB -0.201 32.546 32.600 0.246 0.000 1.410 1 M HN 0.099 nan 8.290 nan 0.000 0.454 2 F N 1.827 121.979 119.950 0.337 0.000 2.010 2 F HA -0.244 4.283 4.527 -0.000 0.000 0.296 2 F C 2.431 178.270 175.800 0.066 0.000 1.146 2 F CA 2.475 60.622 58.000 0.245 0.000 1.181 2 F CB -0.638 38.428 39.000 0.109 0.000 0.965 2 F HN 0.641 nan 8.300 nan 0.000 0.480 3 S N -0.136 115.571 115.700 0.011 0.000 2.389 3 S HA -0.344 4.126 4.470 -0.000 0.000 0.231 3 S C 1.992 176.505 174.600 -0.145 0.000 1.052 3 S CA 1.725 59.849 58.200 -0.126 0.000 1.053 3 S CB -0.661 62.531 63.200 -0.013 0.000 0.886 3 S HN 0.572 nan 8.310 nan 0.000 0.456 4 E N 0.654 120.829 120.200 -0.040 0.000 2.007 4 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 4 E C 2.191 178.747 176.600 -0.072 0.000 0.999 4 E CA 1.117 57.502 56.400 -0.025 0.000 0.811 4 E CB -0.113 29.617 29.700 0.051 0.000 0.762 4 E HN 0.366 nan 8.360 nan 0.000 0.450 5 Q N -0.103 119.667 119.800 -0.050 0.000 2.197 5 Q HA -0.181 4.159 4.340 -0.000 0.000 0.207 5 Q C 1.948 177.802 176.000 -0.244 0.000 0.984 5 Q CA 1.356 57.103 55.803 -0.093 0.000 0.869 5 Q CB -0.458 28.279 28.738 -0.000 0.000 0.906 5 Q HN 0.358 nan 8.270 nan 0.000 0.426 6 A N 0.959 123.524 122.820 -0.425 0.000 1.873 6 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 6 A C 2.245 179.658 177.584 -0.285 0.000 1.186 6 A CA 1.641 53.378 52.037 -0.500 0.000 0.616 6 A CB -0.534 17.992 19.000 -0.791 0.000 0.823 6 A HN 0.353 nan 8.150 nan 0.000 0.442 7 A N -1.177 121.519 122.820 -0.207 0.000 2.167 7 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 7 A C 1.798 179.340 177.584 -0.070 0.000 1.151 7 A CA 0.985 52.948 52.037 -0.124 0.000 0.735 7 A CB -0.523 18.433 19.000 -0.073 0.000 0.802 7 A HN 0.619 nan 8.150 nan 0.000 0.467 8 Q N -0.317 119.433 119.800 -0.083 0.000 2.534 8 Q HA -0.193 4.147 4.340 -0.000 0.000 0.218 8 Q C 0.241 176.230 176.000 -0.018 0.000 0.989 8 Q CA 1.154 56.930 55.803 -0.046 0.000 0.903 8 Q CB -0.162 28.542 28.738 -0.056 0.000 0.942 8 Q HN 0.843 nan 8.270 nan 0.000 0.501 9 R N -2.804 117.688 120.500 -0.014 0.000 2.643 9 R HA 0.628 4.968 4.340 -0.000 0.000 0.269 9 R C -1.035 175.310 176.300 0.074 0.000 1.037 9 R CA -0.382 55.735 56.100 0.027 0.000 0.894 9 R CB 0.689 31.004 30.300 0.025 0.000 1.238 9 R HN -0.058 nan 8.270 nan 0.000 0.459 10 A N 2.072 124.959 122.820 0.112 0.000 2.653 10 A HA -0.055 4.265 4.320 -0.000 0.000 0.227 10 A C -0.256 177.474 177.584 0.244 0.000 1.066 10 A CA 0.663 52.809 52.037 0.182 0.000 0.771 10 A CB -0.390 18.670 19.000 0.100 0.000 0.980 10 A HN 0.752 nan 8.150 nan 0.000 0.507 11 H N -0.214 118.859 119.070 0.006 0.000 2.499 11 H HA 0.486 5.042 4.556 -0.000 0.000 0.352 11 H C 1.118 176.454 175.328 0.014 0.000 1.237 11 H CA 0.035 56.089 56.048 0.009 0.000 1.343 11 H CB 1.134 30.899 29.762 0.004 0.000 1.578 11 H HN 0.882 nan 8.280 nan 0.000 0.577 12 T N -2.488 112.149 114.554 0.139 0.000 3.200 12 T HA 0.030 4.380 4.350 -0.000 0.000 0.259 12 T C 1.185 175.920 174.700 0.059 0.000 0.855 12 T CA -0.319 61.830 62.100 0.080 0.000 0.865 12 T CB -0.279 68.624 68.868 0.058 0.000 1.270 12 T HN 0.353 nan 8.240 nan 0.000 0.563 13 L N 1.294 122.552 121.223 0.057 0.000 2.675 13 L HA 0.395 4.735 4.340 -0.000 0.000 0.238 13 L C 0.470 177.366 176.870 0.042 0.000 1.155 13 L CA 0.531 55.396 54.840 0.042 0.000 0.881 13 L CB -0.439 41.641 42.059 0.034 0.000 1.008 13 L HN 0.281 nan 8.230 nan 0.000 0.443 14 L N 0.100 121.353 121.223 0.051 0.000 2.843 14 L HA 0.298 4.638 4.340 -0.000 0.000 0.234 14 L C 0.066 176.953 176.870 0.029 0.000 1.264 14 L CA -0.040 54.824 54.840 0.040 0.000 1.052 14 L CB 0.538 42.626 42.059 0.048 0.000 1.372 14 L HN 0.143 nan 8.230 nan 0.000 0.466 15 S N 0.357 116.072 115.700 0.024 0.000 2.611 15 S HA 0.609 5.079 4.470 -0.000 0.000 0.270 15 S C -2.873 171.735 174.600 0.013 0.000 1.131 15 S CA -0.888 57.322 58.200 0.017 0.000 0.826 15 S CB 1.276 64.487 63.200 0.018 0.000 1.095 15 S HN 0.075 nan 8.310 nan 0.000 0.461 16 P HA 0.415 nan 4.420 nan 0.000 0.272 16 P C -2.610 174.694 177.300 0.006 0.000 1.223 16 P CA -0.739 62.366 63.100 0.007 0.000 0.784 16 P CB -0.504 31.199 31.700 0.005 0.000 0.923 17 P HA 0.000 nan 4.420 nan 0.000 0.261 17 P C -0.315 176.985 177.300 -0.000 0.000 1.165 17 P CA 0.452 63.553 63.100 0.001 0.000 0.759 17 P CB 0.185 31.885 31.700 0.000 0.000 0.772 18 S N 1.477 117.176 115.700 -0.002 0.000 2.664 18 S HA 0.735 5.205 4.470 -0.000 0.000 0.304 18 S C 0.861 175.455 174.600 -0.009 0.000 1.099 18 S CA -0.192 58.005 58.200 -0.004 0.000 1.003 18 S CB 2.010 65.208 63.200 -0.004 0.000 1.092 18 S HN 0.360 nan 8.310 nan 0.000 0.525 19 A N 1.135 123.948 122.820 -0.011 0.000 1.861 19 A HA 0.180 4.500 4.320 -0.000 0.000 0.212 19 A C 1.106 178.677 177.584 -0.021 0.000 1.199 19 A CA 0.267 52.295 52.037 -0.015 0.000 0.613 19 A CB -1.120 17.872 19.000 -0.013 0.000 0.846 19 A HN 0.900 nan 8.150 nan 0.000 0.446 20 N N 1.395 120.082 118.700 -0.022 0.000 2.315 20 N HA -0.049 4.690 4.740 -0.000 0.000 0.270 20 N C -1.140 174.345 175.510 -0.041 0.000 1.329 20 N CA 0.463 53.494 53.050 -0.031 0.000 0.860 20 N CB -0.126 38.346 38.487 -0.025 0.000 1.095 20 N HN 0.497 nan 8.380 nan 0.000 0.487 21 N N 1.107 119.771 118.700 -0.059 0.000 2.352 21 N HA 0.312 5.052 4.740 -0.000 0.000 0.291 21 N C -1.133 174.296 175.510 -0.135 0.000 1.040 21 N CA -0.635 52.368 53.050 -0.078 0.000 0.864 21 N CB 1.544 39.993 38.487 -0.063 0.000 1.440 21 N HN 0.470 nan 8.380 nan 0.000 0.483 22 A N 1.808 124.515 122.820 -0.189 0.000 2.401 22 A HA 0.477 4.797 4.320 -0.000 0.000 0.259 22 A C -0.354 176.951 177.584 -0.465 0.000 1.103 22 A CA 0.206 52.012 52.037 -0.384 0.000 0.789 22 A CB 0.120 18.818 19.000 -0.503 0.000 1.035 22 A HN 0.529 nan 8.150 nan 0.000 0.491 23 T N 2.233 116.481 114.554 -0.510 0.000 2.949 23 T HA 0.511 4.861 4.350 -0.000 0.000 0.300 23 T C -0.703 173.761 174.700 -0.394 0.000 0.988 23 T CA -0.131 61.762 62.100 -0.346 0.000 0.993 23 T CB 0.408 69.176 68.868 -0.166 0.000 0.984 23 T HN 0.346 nan 8.240 nan 0.000 0.442 24 F N 1.824 121.760 119.950 -0.023 0.000 2.394 24 F HA 0.612 5.139 4.527 -0.000 0.000 0.340 24 F C 0.948 176.722 175.800 -0.044 0.000 1.105 24 F CA -1.008 56.971 58.000 -0.034 0.000 1.124 24 F CB 0.958 39.935 39.000 -0.039 0.000 1.145 24 F HN 0.656 nan 8.300 nan 0.000 0.505 25 A N 4.421 127.334 122.820 0.154 0.000 2.309 25 A HA 0.416 4.736 4.320 -0.000 0.000 0.290 25 A C 0.322 177.920 177.584 0.023 0.000 1.206 25 A CA -0.634 51.439 52.037 0.060 0.000 0.850 25 A CB 0.234 19.256 19.000 0.037 0.000 1.118 25 A HN 0.918 nan 8.150 nan 0.000 0.523 26 R N 2.214 122.714 120.500 -0.000 0.000 2.827 26 R HA 0.291 4.631 4.340 -0.000 0.000 0.269 26 R C 0.348 176.610 176.300 -0.064 0.000 1.048 26 R CA 0.122 56.195 56.100 -0.044 0.000 1.173 26 R CB 0.324 30.605 30.300 -0.032 0.000 1.070 26 R HN 0.848 nan 8.270 nan 0.000 0.498 27 V N 0.617 120.478 119.914 -0.088 0.000 2.963 27 V HA 0.289 4.408 4.120 -0.000 0.000 0.306 27 V C -2.143 173.942 176.094 -0.015 0.000 1.077 27 V CA -1.597 60.669 62.300 -0.057 0.000 1.124 27 V CB 0.454 32.268 31.823 -0.015 0.000 0.987 27 V HN 0.771 nan 8.190 nan 0.000 0.487 28 P HA 0.187 nan 4.420 nan 0.000 0.263 28 P C 0.107 177.417 177.300 0.017 0.000 1.276 28 P CA 0.054 63.160 63.100 0.011 0.000 0.986 28 P CB 0.288 32.000 31.700 0.020 0.000 1.105 29 V N 2.542 122.458 119.914 0.004 0.000 3.273 29 V HA 0.100 4.220 4.120 -0.000 0.000 0.379 29 V C 1.614 177.717 176.094 0.015 0.000 1.256 29 V CA 0.787 63.086 62.300 -0.001 0.000 1.455 29 V CB -1.141 30.659 31.823 -0.039 0.000 1.247 29 V HN 0.509 nan 8.190 nan 0.000 0.469 30 A N 0.113 122.954 122.820 0.035 0.000 2.169 30 A HA 0.146 4.466 4.320 -0.000 0.000 0.210 30 A C 1.354 178.986 177.584 0.080 0.000 1.168 30 A CA 0.366 52.433 52.037 0.050 0.000 0.813 30 A CB 0.103 19.126 19.000 0.038 0.000 0.861 30 A HN 0.495 nan 8.150 nan 0.000 0.481 31 T N 0.365 114.972 114.554 0.088 0.000 3.281 31 T HA 0.477 4.826 4.350 -0.000 0.000 0.359 31 T C -0.953 173.843 174.700 0.160 0.000 1.459 31 T CA -0.110 62.049 62.100 0.099 0.000 1.114 31 T CB -0.735 68.174 68.868 0.067 0.000 1.162 31 T HN 0.332 nan 8.240 nan 0.000 0.665 32 Y N 0.953 121.263 120.300 0.018 0.000 2.562 32 Y HA 0.580 5.130 4.550 -0.000 0.000 0.345 32 Y C -1.077 174.844 175.900 0.035 0.000 1.045 32 Y CA -0.716 57.397 58.100 0.020 0.000 1.028 32 Y CB 2.075 40.545 38.460 0.017 0.000 1.297 32 Y HN 0.309 nan 8.280 nan 0.000 0.463 33 T N 5.145 119.310 114.554 -0.648 0.000 3.348 33 T HA 0.143 4.493 4.350 -0.000 0.000 0.328 33 T C -1.348 172.962 174.700 -0.650 0.000 0.913 33 T CA -0.866 60.976 62.100 -0.430 0.000 1.043 33 T CB 0.316 69.077 68.868 -0.177 0.000 1.021 33 T HN 0.675 nan 8.240 nan 0.000 0.461 34 N N 2.118 120.516 118.700 -0.503 0.000 2.492 34 N HA 0.123 4.863 4.740 -0.000 0.000 0.260 34 N C 0.351 175.833 175.510 -0.047 0.000 1.215 34 N CA 0.064 53.010 53.050 -0.173 0.000 0.923 34 N CB 0.911 39.517 38.487 0.199 0.000 1.092 34 N HN 0.678 nan 8.380 nan 0.000 0.448 35 S N 0.052 115.759 115.700 0.013 0.000 2.941 35 S HA 0.079 4.549 4.470 -0.000 0.000 0.248 35 S C 0.196 174.886 174.600 0.151 0.000 0.962 35 S CA -0.519 57.711 58.200 0.050 0.000 1.092 35 S CB -0.919 62.284 63.200 0.006 0.000 1.113 35 S HN 0.460 nan 8.310 nan 0.000 0.512 36 S N 0.137 115.976 115.700 0.231 0.000 2.614 36 S HA 0.145 4.615 4.470 -0.000 0.000 0.230 36 S C 1.304 176.134 174.600 0.383 0.000 0.952 36 S CA -0.318 58.131 58.200 0.415 0.000 0.949 36 S CB -0.063 63.354 63.200 0.362 0.000 0.786 36 S HN 0.409 nan 8.310 nan 0.000 0.478 37 Q N 2.977 122.899 119.800 0.203 0.000 2.029 37 Q HA -0.065 4.275 4.340 -0.000 0.000 0.209 37 Q C -0.964 175.094 176.000 0.097 0.000 0.999 37 Q CA 1.948 57.827 55.803 0.128 0.000 0.857 37 Q CB -2.187 26.592 28.738 0.068 0.000 0.926 37 Q HN 0.489 nan 8.270 nan 0.000 0.415 38 P HA -0.137 nan 4.420 nan 0.000 0.261 38 P C -0.398 176.680 177.300 -0.370 0.000 1.277 38 P CA 1.151 64.133 63.100 -0.196 0.000 0.748 38 P CB -0.334 31.186 31.700 -0.302 0.000 1.062 39 F N -1.245 118.752 119.950 0.078 0.000 2.834 39 F HA 0.256 4.783 4.527 -0.000 0.000 0.332 39 F C 1.394 177.247 175.800 0.088 0.000 1.056 39 F CA -0.425 57.641 58.000 0.111 0.000 1.178 39 F CB 0.359 39.429 39.000 0.117 0.000 1.037 39 F HN -0.302 nan 8.300 nan 0.000 0.580 40 R N 2.023 122.656 120.500 0.222 0.000 2.340 40 R HA 0.604 4.944 4.340 -0.000 0.000 0.300 40 R C -0.703 175.652 176.300 0.093 0.000 1.069 40 R CA 0.082 56.266 56.100 0.140 0.000 0.984 40 R CB 0.813 31.178 30.300 0.108 0.000 1.003 40 R HN 0.129 nan 8.270 nan 0.000 0.459 55 A N 0.558 123.488 122.820 0.183 0.000 1.881 55 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 55 A C 2.235 179.857 177.584 0.065 0.000 1.215 55 A CA 3.520 55.621 52.037 0.107 0.000 0.648 55 A CB -1.277 17.765 19.000 0.069 0.000 0.832 55 A HN 0.486 nan 8.150 nan 0.000 0.455 56 T N -0.880 113.690 114.554 0.026 0.000 2.714 56 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 56 T C 1.862 176.574 174.700 0.019 0.000 1.036 56 T CA 1.715 63.814 62.100 -0.002 0.000 1.148 56 T CB -0.460 68.382 68.868 -0.044 0.000 0.856 56 T HN 0.593 nan 8.240 nan 0.000 0.462 57 R N 0.699 121.227 120.500 0.048 0.000 2.082 57 R HA 0.114 4.454 4.340 -0.000 0.000 0.228 57 R C 2.668 179.023 176.300 0.093 0.000 1.140 57 R CA 1.349 57.505 56.100 0.092 0.000 0.920 57 R CB -0.882 29.496 30.300 0.131 0.000 0.828 57 R HN 0.299 nan 8.270 nan 0.000 0.430 58 L N 0.939 122.224 121.223 0.104 0.000 2.123 58 L HA -0.288 4.052 4.340 -0.000 0.000 0.217 58 L C 2.379 179.273 176.870 0.040 0.000 1.081 58 L CA 1.469 56.360 54.840 0.084 0.000 0.772 58 L CB -0.386 41.728 42.059 0.090 0.000 0.890 58 L HN 0.279 nan 8.230 nan 0.000 0.437 59 I N -1.384 119.200 120.570 0.024 0.000 2.202 59 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 59 I C 2.512 178.596 176.117 -0.055 0.000 1.091 59 I CA 1.285 62.578 61.300 -0.012 0.000 1.368 59 I CB -0.369 37.624 38.000 -0.011 0.000 1.058 59 I HN 0.325 nan 8.210 nan 0.000 0.410 60 Q N 0.019 119.794 119.800 -0.042 0.000 2.083 60 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 60 Q C 2.379 178.263 176.000 -0.194 0.000 0.969 60 Q CA 1.179 56.921 55.803 -0.101 0.000 0.838 60 Q CB -0.045 28.693 28.738 0.001 0.000 0.900 60 Q HN 0.448 nan 8.270 nan 0.000 0.436 61 M N 0.278 119.881 119.600 0.004 0.000 2.175 61 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 61 M C 2.127 178.437 176.300 0.018 0.000 1.063 61 M CA 1.241 56.618 55.300 0.128 0.000 1.119 61 M CB -0.838 31.878 32.600 0.195 0.000 1.377 61 M HN 0.174 nan 8.290 nan 0.000 0.415 62 R N 0.951 121.434 120.500 -0.028 0.000 2.179 62 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 62 R C -0.894 175.370 176.300 -0.060 0.000 1.119 62 R CA 2.668 58.754 56.100 -0.023 0.000 0.915 62 R CB -1.708 28.573 30.300 -0.032 0.000 0.870 62 R HN 0.137 nan 8.270 nan 0.000 0.432 63 P HA -0.207 nan 4.420 nan 0.000 0.218 63 P C 0.740 177.999 177.300 -0.068 0.000 1.152 63 P CA 1.851 64.832 63.100 -0.199 0.000 0.857 63 P CB -0.169 31.294 31.700 -0.395 0.000 0.787 64 F N -1.783 118.177 119.950 0.018 0.000 2.037 64 F HA -0.132 4.395 4.527 -0.000 0.000 0.291 64 F C 2.155 177.957 175.800 0.003 0.000 1.137 64 F CA 0.185 58.189 58.000 0.007 0.000 1.178 64 F CB -1.184 37.824 39.000 0.014 0.000 0.995 64 F HN -0.244 nan 8.300 nan 0.000 0.472 65 L N 0.549 121.910 121.223 0.230 0.000 2.129 65 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 65 L C 2.126 179.049 176.870 0.089 0.000 1.087 65 L CA 1.668 56.585 54.840 0.128 0.000 0.757 65 L CB -0.921 41.209 42.059 0.118 0.000 0.896 65 L HN 0.185 nan 8.230 nan 0.000 0.434 66 E N -0.924 119.329 120.200 0.088 0.000 2.028 66 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 66 E C 1.892 178.531 176.600 0.066 0.000 0.988 66 E CA 0.873 57.321 56.400 0.081 0.000 0.799 66 E CB -0.240 29.497 29.700 0.061 0.000 0.755 66 E HN 0.442 nan 8.360 nan 0.000 0.447 67 N N 0.613 119.352 118.700 0.065 0.000 2.443 67 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 67 N C 1.625 177.140 175.510 0.008 0.000 1.037 67 N CA 0.593 53.671 53.050 0.048 0.000 0.896 67 N CB 0.175 38.704 38.487 0.070 0.000 0.959 67 N HN 0.028 nan 8.380 nan 0.000 0.442 68 R N 0.483 120.981 120.500 -0.005 0.000 2.066 68 R HA 0.136 4.476 4.340 -0.000 0.000 0.224 68 R C 2.027 178.229 176.300 -0.162 0.000 1.122 68 R CA 0.882 56.927 56.100 -0.091 0.000 0.974 68 R CB -0.967 29.286 30.300 -0.078 0.000 0.871 68 R HN 0.173 nan 8.270 nan 0.000 0.435 69 A N 1.145 123.884 122.820 -0.134 0.000 1.902 69 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 69 A C 2.113 179.663 177.584 -0.057 0.000 1.181 69 A CA 1.215 53.099 52.037 -0.255 0.000 0.623 69 A CB -0.408 18.641 19.000 0.081 0.000 0.818 69 A HN 0.351 nan 8.150 nan 0.000 0.443 70 Q N -0.507 119.317 119.800 0.040 0.000 2.135 70 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 70 Q C 2.316 178.337 176.000 0.036 0.000 0.981 70 Q CA 1.878 57.727 55.803 0.077 0.000 0.856 70 Q CB -0.195 28.582 28.738 0.064 0.000 0.902 70 Q HN 0.989 nan 8.270 nan 0.000 0.425 71 Q N -1.388 118.397 119.800 -0.026 0.000 2.302 71 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 71 Q C 1.432 177.399 176.000 -0.055 0.000 0.936 71 Q CA 0.913 56.692 55.803 -0.040 0.000 0.886 71 Q CB -0.246 28.450 28.738 -0.070 0.000 0.986 71 Q HN 0.509 nan 8.270 nan 0.000 0.487 72 H N -1.224 117.659 119.070 -0.312 0.000 2.462 72 H HA -0.040 4.516 4.556 -0.000 0.000 0.292 72 H C 0.261 175.290 175.328 -0.499 0.000 1.049 72 H CA 0.652 56.376 56.048 -0.540 0.000 1.334 72 H CB 0.474 29.653 29.762 -0.972 0.000 1.404 72 H HN 0.374 nan 8.280 nan 0.000 0.544 73 W N 0.398 121.701 121.300 0.006 0.000 2.499 73 W HA 0.361 5.021 4.660 -0.000 0.000 0.362 73 W C 0.570 177.056 176.519 -0.055 0.000 0.945 73 W CA 0.493 57.773 57.345 -0.109 0.000 1.721 73 W CB -0.102 29.221 29.460 -0.229 0.000 1.156 73 W HN 0.281 nan 8.180 nan 0.000 0.547 74 G N 1.504 110.397 108.800 0.155 0.000 2.846 74 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.660 74 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.660 74 G C 0.995 175.961 174.900 0.111 0.000 1.464 74 G CA 0.139 45.302 45.100 0.105 0.000 0.891 74 G HN 0.253 nan 8.290 nan 0.000 0.552 75 S N -0.630 115.117 115.700 0.078 0.000 2.422 75 S HA -0.120 4.350 4.470 -0.000 0.000 0.241 75 S C 2.244 176.899 174.600 0.091 0.000 1.076 75 S CA 2.070 60.314 58.200 0.074 0.000 1.066 75 S CB -0.850 62.382 63.200 0.053 0.000 0.890 75 S HN 2.486 nan 8.310 nan 0.000 0.465 76 G N 2.289 111.147 108.800 0.097 0.000 2.451 76 G HA2 0.268 4.227 3.960 -0.000 0.000 0.287 76 G HA3 0.268 4.227 3.960 -0.000 0.000 0.287 76 G C -0.063 174.924 174.900 0.144 0.000 0.617 76 G CA -0.275 44.889 45.100 0.106 0.000 2.108 76 G HN 0.451 nan 8.290 nan 0.000 0.531 77 V N 2.218 122.206 119.914 0.124 0.000 2.416 77 V HA 0.100 4.219 4.120 -0.000 0.000 0.267 77 V C 1.756 177.936 176.094 0.143 0.000 1.007 77 V CA 1.119 63.500 62.300 0.136 0.000 1.102 77 V CB 0.548 32.429 31.823 0.097 0.000 1.035 77 V HN 0.590 nan 8.190 nan 0.000 0.473 78 G N 4.206 113.125 108.800 0.198 0.000 2.920 78 G HA2 0.000 3.960 3.960 -0.000 0.000 0.208 78 G HA3 0.000 3.960 3.960 -0.000 0.000 0.208 78 G C 0.673 175.655 174.900 0.137 0.000 1.159 78 G CA -0.176 45.030 45.100 0.176 0.000 0.784 78 G HN 0.568 nan 8.290 nan 0.000 0.535 79 V N 1.872 121.867 119.914 0.134 0.000 2.726 79 V HA 0.007 4.127 4.120 -0.000 0.000 0.251 79 V C 0.114 176.250 176.094 0.071 0.000 0.966 79 V CA 0.903 63.264 62.300 0.101 0.000 1.185 79 V CB -0.638 31.237 31.823 0.086 0.000 1.006 79 V HN 0.111 nan 8.190 nan 0.000 0.473 80 K N 4.555 124.993 120.400 0.065 0.000 2.565 80 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 80 K C -0.064 176.560 176.600 0.039 0.000 0.958 80 K CA -0.757 55.558 56.287 0.048 0.000 0.806 80 K CB 2.297 34.826 32.500 0.048 0.000 1.194 80 K HN 0.485 nan 8.250 nan 0.000 0.434 81 K N 1.238 121.654 120.400 0.028 0.000 2.188 81 K HA 0.037 4.356 4.320 -0.000 0.000 0.246 81 K C 1.393 178.003 176.600 0.016 0.000 1.026 81 K CA -0.380 55.917 56.287 0.017 0.000 0.871 81 K CB 0.386 32.894 32.500 0.013 0.000 1.042 81 K HN 0.217 nan 8.250 nan 0.000 0.509 82 L N 1.452 122.677 121.223 0.003 0.000 2.362 82 L HA -0.158 4.182 4.340 -0.000 0.000 0.219 82 L C 2.186 179.065 176.870 0.015 0.000 1.134 82 L CA 1.467 56.310 54.840 0.005 0.000 0.807 82 L CB -0.614 41.435 42.059 -0.017 0.000 0.927 82 L HN 0.836 nan 8.230 nan 0.000 0.447 83 C N -2.190 117.116 119.300 0.010 0.000 2.538 83 C HA 0.048 4.508 4.460 -0.000 0.000 0.281 83 C C 1.918 176.915 174.990 0.011 0.000 1.320 83 C CA 0.075 59.097 59.018 0.008 0.000 1.714 83 C CB -1.229 26.513 27.740 0.003 0.000 2.095 83 C HN 0.530 nan 8.230 nan 0.000 0.497 84 E N 2.932 123.140 120.200 0.014 0.000 2.461 84 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 84 E C 0.650 177.260 176.600 0.016 0.000 1.129 84 E CA -0.148 56.260 56.400 0.014 0.000 0.902 84 E CB -0.444 29.266 29.700 0.015 0.000 0.963 84 E HN 0.806 nan 8.360 nan 0.000 0.503 85 L N -0.588 120.649 121.223 0.024 0.000 2.360 85 L HA 0.225 4.564 4.340 -0.000 0.000 0.276 85 L C -0.347 176.522 176.870 -0.001 0.000 1.121 85 L CA -0.656 54.200 54.840 0.027 0.000 0.845 85 L CB 0.698 42.798 42.059 0.067 0.000 1.143 85 L HN -0.130 nan 8.230 nan 0.000 0.452 86 Q N 4.341 124.130 119.800 -0.020 0.000 2.368 86 Q HA 0.449 4.789 4.340 -0.000 0.000 0.256 86 Q C -2.368 173.595 176.000 -0.061 0.000 0.980 86 Q CA -2.043 53.740 55.803 -0.034 0.000 0.887 86 Q CB 1.154 29.873 28.738 -0.033 0.000 1.221 86 Q HN 0.537 nan 8.270 nan 0.000 0.458 87 P HA -0.183 nan 4.420 nan 0.000 0.262 87 P C -0.094 177.143 177.300 -0.105 0.000 1.151 87 P CA 0.913 63.962 63.100 -0.085 0.000 0.757 87 P CB 0.404 32.066 31.700 -0.063 0.000 0.754 88 E N -1.049 119.061 120.200 -0.151 0.000 3.070 88 E HA -0.249 4.101 4.350 -0.000 0.000 0.285 88 E C 0.085 176.590 176.600 -0.158 0.000 0.972 88 E CA 0.923 57.228 56.400 -0.157 0.000 0.915 88 E CB -1.758 27.877 29.700 -0.109 0.000 1.466 88 E HN 0.697 nan 8.360 nan 0.000 0.432 89 E N 1.230 121.327 120.200 -0.172 0.000 2.197 89 E HA 0.194 4.544 4.350 -0.000 0.000 0.281 89 E C -0.361 176.106 176.600 -0.221 0.000 0.995 89 E CA -0.734 55.577 56.400 -0.148 0.000 0.808 89 E CB 0.696 30.340 29.700 -0.095 0.000 1.093 89 E HN -0.209 nan 8.360 nan 0.000 0.394 90 K N 4.451 124.726 120.400 -0.207 0.000 2.292 90 K HA 0.208 4.528 4.320 -0.000 0.000 0.290 90 K C -0.291 176.149 176.600 -0.267 0.000 1.083 90 K CA -0.173 55.918 56.287 -0.326 0.000 0.918 90 K CB -0.196 32.185 32.500 -0.198 0.000 1.089 90 K HN 0.591 nan 8.250 nan 0.000 0.473 91 C N -0.372 118.708 119.300 -0.367 0.000 3.311 91 C HA 0.648 5.108 4.460 -0.000 0.000 0.366 91 C C -0.446 174.478 174.990 -0.111 0.000 1.694 91 C CA -1.171 57.771 59.018 -0.127 0.000 1.244 91 C CB 1.606 29.342 27.740 -0.006 0.000 2.038 91 C HN 0.756 nan 8.230 nan 0.000 0.436 92 C N 1.793 121.154 119.300 0.101 0.000 2.346 92 C HA 0.788 5.248 4.460 -0.000 0.000 0.326 92 C C -0.510 174.547 174.990 0.111 0.000 1.224 92 C CA -0.009 59.117 59.018 0.179 0.000 1.408 92 C CB -0.303 27.663 27.740 0.377 0.000 2.089 92 C HN 0.792 nan 8.230 nan 0.000 0.456 93 V N 6.474 126.390 119.914 0.004 0.000 2.472 93 V HA 0.535 4.655 4.120 -0.000 0.000 0.290 93 V C -0.031 176.051 176.094 -0.020 0.000 1.037 93 V CA -0.493 61.773 62.300 -0.056 0.000 0.908 93 V CB 1.659 33.341 31.823 -0.236 0.000 0.985 93 V HN 0.652 nan 8.190 nan 0.000 0.454 94 V N 3.941 123.862 119.914 0.012 0.000 2.357 94 V HA 0.913 5.033 4.120 -0.000 0.000 0.284 94 V C 0.572 176.679 176.094 0.021 0.000 1.018 94 V CA 0.520 62.841 62.300 0.035 0.000 0.841 94 V CB 1.038 32.897 31.823 0.060 0.000 0.991 94 V HN 1.129 nan 8.190 nan 0.000 0.437 95 G N 3.459 112.274 108.800 0.024 0.000 2.731 95 G HA2 0.577 4.537 3.960 -0.000 0.000 0.309 95 G HA3 0.577 4.537 3.960 -0.000 0.000 0.309 95 G C -0.892 174.058 174.900 0.083 0.000 1.273 95 G CA -0.386 44.741 45.100 0.045 0.000 0.798 95 G HN 0.452 nan 8.290 nan 0.000 0.509 96 T N 0.538 115.168 114.554 0.127 0.000 2.895 96 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 96 T C -0.208 174.622 174.700 0.217 0.000 1.014 96 T CA -0.177 62.024 62.100 0.168 0.000 1.037 96 T CB 1.441 70.461 68.868 0.254 0.000 1.006 96 T HN 0.340 nan 8.240 nan 0.000 0.468 97 L N 2.341 123.640 121.223 0.127 0.000 2.334 97 L HA 0.674 5.014 4.340 -0.000 0.000 0.275 97 L C -1.187 175.751 176.870 0.113 0.000 1.036 97 L CA -0.763 54.174 54.840 0.163 0.000 0.807 97 L CB 1.024 43.135 42.059 0.087 0.000 1.231 97 L HN 0.540 nan 8.230 nan 0.000 0.438 98 F N 1.624 121.542 119.950 -0.053 0.000 2.569 98 F HA 0.508 5.035 4.527 -0.000 0.000 0.312 98 F C -0.076 175.704 175.800 -0.034 0.000 1.109 98 F CA -0.860 57.103 58.000 -0.062 0.000 0.919 98 F CB 1.929 40.877 39.000 -0.086 0.000 1.211 98 F HN 0.221 nan 8.300 nan 0.000 0.446 99 K N 1.870 122.337 120.400 0.112 0.000 2.267 99 K HA 0.968 5.288 4.320 -0.000 0.000 0.246 99 K C -1.409 175.208 176.600 0.028 0.000 0.954 99 K CA -0.639 55.684 56.287 0.062 0.000 0.824 99 K CB 2.155 34.682 32.500 0.045 0.000 1.167 99 K HN 0.849 nan 8.250 nan 0.000 0.431 100 A N 2.759 125.562 122.820 -0.029 0.000 2.567 100 A HA 0.376 4.696 4.320 -0.000 0.000 0.291 100 A C -1.607 175.830 177.584 -0.244 0.000 1.048 100 A CA -0.850 51.112 52.037 -0.125 0.000 0.661 100 A CB 1.415 20.373 19.000 -0.070 0.000 1.288 100 A HN 0.686 nan 8.150 nan 0.000 0.424 125 K N 0.333 120.616 120.400 -0.195 0.000 2.371 125 K HA 0.518 4.838 4.320 -0.000 0.000 0.251 125 K C -1.557 174.871 176.600 -0.286 0.000 0.934 125 K CA -0.497 55.616 56.287 -0.289 0.000 0.798 125 K CB 1.568 33.918 32.500 -0.251 0.000 1.204 125 K HN 0.419 nan 8.250 nan 0.000 0.427 126 Y N 1.619 121.929 120.300 0.016 0.000 2.625 126 Y HA 0.221 4.771 4.550 -0.000 0.000 0.285 126 Y C 0.528 176.160 175.900 -0.447 0.000 1.168 126 Y CA -1.079 56.913 58.100 -0.180 0.000 1.250 126 Y CB -0.665 37.711 38.460 -0.139 0.000 1.130 126 Y HN 0.429 nan 8.280 nan 0.000 0.526 127 I N -1.477 118.979 120.570 -0.189 0.000 2.692 127 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 127 I C -0.239 175.699 176.117 -0.300 0.000 1.159 127 I CA -0.367 60.811 61.300 -0.204 0.000 1.423 127 I CB 0.593 38.528 38.000 -0.107 0.000 1.380 127 I HN 0.066 nan 8.210 nan 0.000 0.580 128 H N 4.841 123.901 119.070 -0.018 0.000 2.472 128 H HA 0.330 4.886 4.556 -0.000 0.000 0.335 128 H C -1.753 173.568 175.328 -0.011 0.000 1.136 128 H CA -1.680 54.361 56.048 -0.010 0.000 1.264 128 H CB 0.584 30.335 29.762 -0.019 0.000 1.486 128 H HN 0.419 nan 8.280 nan 0.000 0.517 129 P HA -0.202 nan 4.420 nan 0.000 0.217 129 P C -0.435 176.896 177.300 0.053 0.000 1.158 129 P CA 1.659 64.792 63.100 0.054 0.000 0.887 129 P CB 0.239 31.968 31.700 0.048 0.000 0.792 130 D N -0.886 119.553 120.400 0.066 0.000 2.421 130 D HA 0.221 4.861 4.640 -0.000 0.000 0.254 130 D C -0.622 175.701 176.300 0.039 0.000 1.238 130 D CA -0.319 53.707 54.000 0.043 0.000 0.919 130 D CB 0.595 41.410 40.800 0.025 0.000 1.152 130 D HN -0.099 nan 8.370 nan 0.000 0.552 131 D N 0.983 121.411 120.400 0.046 0.000 2.549 131 D HA 0.512 5.152 4.640 -0.000 0.000 0.270 131 D C -0.141 176.165 176.300 0.011 0.000 1.181 131 D CA -0.296 53.719 54.000 0.025 0.000 1.070 131 D CB 1.371 42.213 40.800 0.071 0.000 1.154 131 D HN 0.258 nan 8.370 nan 0.000 0.602 132 E N -0.102 120.100 120.200 0.003 0.000 2.366 132 E HA 0.382 4.731 4.350 -0.000 0.000 0.278 132 E C -1.028 175.587 176.600 0.024 0.000 0.923 132 E CA -0.548 55.859 56.400 0.011 0.000 0.761 132 E CB 2.243 31.942 29.700 -0.002 0.000 1.231 132 E HN 0.171 nan 8.360 nan 0.000 0.443 133 L N 2.386 123.628 121.223 0.032 0.000 2.280 133 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 133 L C -0.299 176.595 176.870 0.040 0.000 1.023 133 L CA -0.986 53.880 54.840 0.045 0.000 0.819 133 L CB 1.466 43.545 42.059 0.033 0.000 1.212 133 L HN 0.231 nan 8.230 nan 0.000 0.420 134 V N 5.536 125.484 119.914 0.057 0.000 2.472 134 V HA 0.493 4.613 4.120 -0.000 0.000 0.290 134 V C -0.742 175.369 176.094 0.028 0.000 1.037 134 V CA -0.661 61.645 62.300 0.009 0.000 0.908 134 V CB 1.894 33.685 31.823 -0.053 0.000 0.985 134 V HN 0.589 nan 8.190 nan 0.000 0.454 135 L N 6.210 127.418 121.223 -0.026 0.000 2.262 135 L HA 0.593 4.933 4.340 -0.000 0.000 0.288 135 L C -0.052 176.779 176.870 -0.066 0.000 1.035 135 L CA 0.297 55.123 54.840 -0.023 0.000 0.820 135 L CB 1.039 43.043 42.059 -0.090 0.000 1.204 135 L HN 0.759 nan 8.230 nan 0.000 0.424 136 E N 3.066 123.243 120.200 -0.038 0.000 2.227 136 E HA 0.192 4.542 4.350 -0.000 0.000 0.282 136 E C -1.216 175.380 176.600 -0.008 0.000 1.015 136 E CA -0.354 55.990 56.400 -0.093 0.000 0.823 136 E CB 1.752 31.330 29.700 -0.204 0.000 1.081 136 E HN 0.649 nan 8.360 nan 0.000 0.396 137 D N 1.508 121.890 120.400 -0.029 0.000 2.384 137 D HA 0.088 4.728 4.640 -0.000 0.000 0.250 137 D C 0.589 176.891 176.300 0.004 0.000 1.029 137 D CA -0.311 53.686 54.000 -0.004 0.000 0.990 137 D CB 1.125 41.916 40.800 -0.016 0.000 1.175 137 D HN 0.174 nan 8.370 nan 0.000 0.532 138 E N 0.034 120.244 120.200 0.016 0.000 2.097 138 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 138 E C 1.504 178.106 176.600 0.003 0.000 1.000 138 E CA 1.426 57.837 56.400 0.019 0.000 0.804 138 E CB -0.187 29.524 29.700 0.019 0.000 0.740 138 E HN 0.434 nan 8.360 nan 0.000 0.454 139 L N 0.120 121.339 121.223 -0.005 0.000 1.984 139 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 139 L C 1.798 178.652 176.870 -0.027 0.000 1.111 139 L CA 0.591 55.424 54.840 -0.012 0.000 0.770 139 L CB -0.951 41.102 42.059 -0.009 0.000 0.900 139 L HN 0.143 nan 8.230 nan 0.000 0.441 140 Q N 1.671 121.451 119.800 -0.032 0.000 2.448 140 Q HA 0.447 4.787 4.340 -0.000 0.000 0.192 140 Q C -0.742 175.215 176.000 -0.072 0.000 1.001 140 Q CA -0.828 54.947 55.803 -0.047 0.000 1.018 140 Q CB 1.335 30.053 28.738 -0.033 0.000 1.290 140 Q HN 0.410 nan 8.270 nan 0.000 0.517 141 R N -0.014 120.435 120.500 -0.084 0.000 2.531 141 R HA 0.578 4.918 4.340 -0.000 0.000 0.293 141 R C -1.300 174.951 176.300 -0.082 0.000 1.124 141 R CA -0.523 55.508 56.100 -0.115 0.000 0.945 141 R CB 0.780 30.960 30.300 -0.201 0.000 1.195 141 R HN 0.744 nan 8.270 nan 0.000 0.433 142 I N 2.204 122.738 120.570 -0.059 0.000 2.566 142 I HA 0.373 4.543 4.170 -0.000 0.000 0.303 142 I C -0.247 175.861 176.117 -0.015 0.000 0.983 142 I CA -0.944 60.346 61.300 -0.018 0.000 1.235 142 I CB 1.695 39.711 38.000 0.028 0.000 1.386 142 I HN 0.733 nan 8.210 nan 0.000 0.494 143 K N 5.016 125.425 120.400 0.015 0.000 2.127 143 K HA 0.606 4.926 4.320 -0.000 0.000 0.240 143 K C -1.469 175.170 176.600 0.064 0.000 1.024 143 K CA -0.488 55.812 56.287 0.021 0.000 0.918 143 K CB 0.978 33.487 32.500 0.015 0.000 1.108 143 K HN 0.536 nan 8.250 nan 0.000 0.485 144 L N 1.673 122.933 121.223 0.061 0.000 2.408 144 L HA 0.486 4.826 4.340 -0.000 0.000 0.268 144 L C -0.621 176.304 176.870 0.092 0.000 0.986 144 L CA -0.702 54.196 54.840 0.098 0.000 0.820 144 L CB 2.136 44.232 42.059 0.061 0.000 1.303 144 L HN 0.609 nan 8.230 nan 0.000 0.411 145 K N 0.741 121.213 120.400 0.119 0.000 2.261 145 K HA 0.945 5.265 4.320 -0.000 0.000 0.242 145 K C -0.104 176.563 176.600 0.111 0.000 1.083 145 K CA -0.593 55.745 56.287 0.085 0.000 0.880 145 K CB 2.089 34.619 32.500 0.051 0.000 1.353 145 K HN 0.731 nan 8.250 nan 0.000 0.486 146 G N 0.026 108.878 108.800 0.087 0.000 2.418 146 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.206 146 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.206 146 G C -0.801 174.169 174.900 0.116 0.000 1.202 146 G CA -0.283 44.879 45.100 0.102 0.000 1.061 146 G HN 0.696 nan 8.290 nan 0.000 0.563 147 T N -0.934 113.711 114.554 0.151 0.000 3.378 147 T HA 0.644 4.994 4.350 -0.000 0.000 0.359 147 T C -0.167 174.706 174.700 0.288 0.000 1.815 147 T CA 0.098 62.295 62.100 0.163 0.000 1.509 147 T CB 0.382 69.318 68.868 0.113 0.000 1.049 147 T HN 1.235 nan 8.240 nan 0.000 0.705 148 I N 1.670 122.416 120.570 0.294 0.000 2.447 148 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 148 I C -1.012 175.236 176.117 0.219 0.000 1.023 148 I CA -0.773 60.769 61.300 0.403 0.000 1.083 148 I CB 1.542 39.636 38.000 0.157 0.000 1.245 148 I HN 0.287 nan 8.210 nan 0.000 0.434 149 D N 5.261 125.821 120.400 0.267 0.000 2.458 149 D HA 0.081 4.721 4.640 -0.000 0.000 0.243 149 D C 0.583 176.935 176.300 0.088 0.000 1.146 149 D CA 0.243 54.340 54.000 0.161 0.000 0.877 149 D CB 1.722 42.633 40.800 0.185 0.000 1.176 149 D HN 0.332 nan 8.370 nan 0.000 0.461 150 V N 2.631 122.577 119.914 0.053 0.000 3.048 150 V HA -0.105 4.015 4.120 -0.000 0.000 0.241 150 V C 2.286 178.378 176.094 -0.004 0.000 1.129 150 V CA 1.019 63.335 62.300 0.027 0.000 1.128 150 V CB -0.352 31.491 31.823 0.033 0.000 0.849 150 V HN 0.649 nan 8.190 nan 0.000 0.475 151 S N 0.374 116.067 115.700 -0.013 0.000 2.420 151 S HA -0.261 4.209 4.470 -0.000 0.000 0.237 151 S C 1.850 176.384 174.600 -0.111 0.000 1.023 151 S CA 1.706 59.872 58.200 -0.056 0.000 0.991 151 S CB -0.227 62.941 63.200 -0.053 0.000 0.792 151 S HN 0.581 nan 8.310 nan 0.000 0.488 152 K N -0.019 120.328 120.400 -0.089 0.000 2.078 152 K HA 0.191 4.511 4.320 -0.000 0.000 0.203 152 K C 0.084 176.521 176.600 -0.271 0.000 1.043 152 K CA 0.248 56.430 56.287 -0.175 0.000 0.960 152 K CB -0.109 32.359 32.500 -0.053 0.000 0.761 152 K HN 0.220 nan 8.250 nan 0.000 0.448 153 L N 0.888 122.060 121.223 -0.085 0.000 2.453 153 L HA 0.173 4.513 4.340 -0.000 0.000 0.261 153 L C -0.349 176.494 176.870 -0.045 0.000 1.179 153 L CA 0.052 54.880 54.840 -0.020 0.000 0.813 153 L CB 1.480 43.635 42.059 0.160 0.000 1.110 153 L HN -0.121 nan 8.230 nan 0.000 0.466 154 V N -1.489 118.435 119.914 0.017 0.000 3.087 154 V HA 0.329 4.449 4.120 -0.000 0.000 0.306 154 V C -0.543 175.599 176.094 0.080 0.000 1.187 154 V CA -1.295 61.035 62.300 0.050 0.000 0.999 154 V CB 1.973 33.821 31.823 0.042 0.000 1.049 154 V HN 0.794 nan 8.190 nan 0.000 0.431 155 T N 1.245 115.817 114.554 0.031 0.000 2.466 155 T HA 0.306 4.656 4.350 -0.000 0.000 0.234 155 T C 1.228 175.819 174.700 -0.181 0.000 1.069 155 T CA 0.968 62.982 62.100 -0.143 0.000 1.271 155 T CB -0.518 68.277 68.868 -0.122 0.000 1.048 155 T HN 2.058 nan 8.240 nan 0.000 0.487 156 G N 2.479 111.105 108.800 -0.290 0.000 2.336 156 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.194 156 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.194 156 G C 0.234 175.129 174.900 -0.008 0.000 0.999 156 G CA -0.284 44.727 45.100 -0.149 0.000 0.669 156 G HN 0.932 nan 8.290 nan 0.000 0.482 157 T N 0.925 115.528 114.554 0.081 0.000 2.903 157 T HA 0.433 4.783 4.350 -0.000 0.000 0.314 157 T C 0.243 175.026 174.700 0.138 0.000 1.078 157 T CA 0.539 62.741 62.100 0.171 0.000 1.114 157 T CB 2.275 71.350 68.868 0.345 0.000 0.987 157 T HN 0.686 nan 8.240 nan 0.000 0.548 158 V N 4.304 124.319 119.914 0.168 0.000 2.340 158 V HA 0.388 4.508 4.120 -0.000 0.000 0.277 158 V C 0.102 176.313 176.094 0.195 0.000 1.017 158 V CA -0.751 61.645 62.300 0.160 0.000 0.820 158 V CB 0.215 32.129 31.823 0.151 0.000 1.028 158 V HN 0.730 nan 8.190 nan 0.000 0.436 159 L N 1.897 123.191 121.223 0.119 0.000 2.347 159 L HA 1.101 5.441 4.340 -0.000 0.000 0.268 159 L C 0.102 176.965 176.870 -0.010 0.000 1.019 159 L CA -0.831 53.995 54.840 -0.022 0.000 0.806 159 L CB 2.004 43.919 42.059 -0.240 0.000 1.339 159 L HN 0.459 nan 8.230 nan 0.000 0.463 160 A N 1.382 124.184 122.820 -0.030 0.000 2.536 160 A HA 0.586 4.905 4.320 -0.000 0.000 0.329 160 A C -0.546 177.194 177.584 0.260 0.000 1.321 160 A CA -0.447 51.663 52.037 0.120 0.000 0.804 160 A CB 0.686 19.761 19.000 0.124 0.000 1.126 160 A HN 0.525 nan 8.150 nan 0.000 0.480 161 V N 2.814 122.823 119.914 0.159 0.000 2.686 161 V HA 0.684 4.804 4.120 -0.000 0.000 0.295 161 V C -0.894 175.333 176.094 0.221 0.000 1.057 161 V CA -0.260 62.140 62.300 0.167 0.000 1.012 161 V CB 1.338 33.098 31.823 -0.106 0.000 1.006 161 V HN 0.727 nan 8.190 nan 0.000 0.477 162 F N 5.146 125.134 119.950 0.063 0.000 2.562 162 F HA 0.832 5.359 4.527 -0.000 0.000 0.319 162 F C 0.013 175.876 175.800 0.105 0.000 1.154 162 F CA 0.539 58.476 58.000 -0.106 0.000 0.931 162 F CB 1.550 40.046 39.000 -0.841 0.000 1.198 162 F HN 0.815 nan 8.300 nan 0.000 0.444 163 G N 2.469 111.041 108.800 -0.379 0.000 2.356 163 G HA2 0.484 4.444 3.960 -0.000 0.000 0.281 163 G HA3 0.484 4.444 3.960 -0.000 0.000 0.281 163 G C -1.774 172.618 174.900 -0.847 0.000 1.246 163 G CA -0.270 44.559 45.100 -0.450 0.000 0.889 163 G HN 1.101 nan 8.290 nan 0.000 0.486 164 S N -1.337 113.670 115.700 -1.154 0.000 2.595 164 S HA 0.762 5.232 4.470 -0.000 0.000 0.281 164 S C -0.500 173.380 174.600 -1.200 0.000 1.117 164 S CA -0.634 56.938 58.200 -1.047 0.000 0.873 164 S CB 1.626 64.507 63.200 -0.532 0.000 1.108 164 S HN 1.259 nan 8.310 nan 0.000 0.477 165 V N 2.340 121.820 119.914 -0.724 0.000 2.686 165 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 165 V C 0.316 176.250 176.094 -0.267 0.000 1.055 165 V CA -0.553 61.512 62.300 -0.392 0.000 1.050 165 V CB 0.185 31.924 31.823 -0.140 0.000 0.984 165 V HN 0.780 nan 8.190 nan 0.000 0.482 166 R N 2.079 122.472 120.500 -0.178 0.000 2.875 166 R HA 0.360 4.700 4.340 -0.000 0.000 0.251 166 R C 1.009 177.262 176.300 -0.080 0.000 1.123 166 R CA -1.006 55.016 56.100 -0.129 0.000 1.064 166 R CB 0.464 30.695 30.300 -0.114 0.000 1.205 166 R HN 0.822 nan 8.270 nan 0.000 0.503 167 D N -0.224 120.135 120.400 -0.068 0.000 2.265 167 D HA -0.194 4.446 4.640 -0.000 0.000 0.208 167 D C 0.630 176.907 176.300 -0.038 0.000 0.977 167 D CA 0.918 54.889 54.000 -0.049 0.000 0.871 167 D CB 0.126 40.899 40.800 -0.044 0.000 0.925 167 D HN 0.382 nan 8.370 nan 0.000 0.485 168 D N 0.131 120.508 120.400 -0.038 0.000 2.234 168 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 168 D C 1.865 178.153 176.300 -0.020 0.000 0.962 168 D CA 1.692 55.676 54.000 -0.026 0.000 0.855 168 D CB 0.139 40.925 40.800 -0.023 0.000 0.951 168 D HN 0.380 nan 8.370 nan 0.000 0.500 169 G N 0.154 108.939 108.800 -0.024 0.000 2.232 169 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 169 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 169 G C 0.334 175.238 174.900 0.007 0.000 0.996 169 G CA 0.239 45.332 45.100 -0.012 0.000 0.626 169 G HN 0.416 nan 8.290 nan 0.000 0.509 170 K N -0.158 120.246 120.400 0.008 0.000 2.154 170 K HA 0.577 4.896 4.320 -0.000 0.000 0.264 170 K C -0.790 175.848 176.600 0.064 0.000 1.008 170 K CA -0.680 55.633 56.287 0.043 0.000 0.937 170 K CB 1.277 33.796 32.500 0.031 0.000 1.002 170 K HN 0.121 nan 8.250 nan 0.000 0.469 171 F N 3.082 123.011 119.950 -0.035 0.000 2.391 171 F HA 0.251 4.778 4.527 -0.000 0.000 0.359 171 F C -0.359 175.419 175.800 -0.037 0.000 1.122 171 F CA -0.968 57.005 58.000 -0.046 0.000 1.120 171 F CB 0.548 39.520 39.000 -0.046 0.000 1.142 171 F HN 0.343 nan 8.300 nan 0.000 0.483 172 L N 7.811 128.970 121.223 -0.106 0.000 2.290 172 L HA 0.541 4.881 4.340 -0.000 0.000 0.284 172 L C -1.226 175.703 176.870 0.098 0.000 1.078 172 L CA -0.433 54.405 54.840 -0.002 0.000 0.815 172 L CB 0.856 42.853 42.059 -0.105 0.000 1.162 172 L HN 0.407 nan 8.230 nan 0.000 0.435 173 V N 5.267 125.320 119.914 0.232 0.000 2.472 173 V HA 0.324 4.444 4.120 -0.000 0.000 0.290 173 V C 0.400 176.612 176.094 0.197 0.000 1.037 173 V CA -0.372 62.100 62.300 0.287 0.000 0.908 173 V CB 1.480 33.498 31.823 0.327 0.000 0.985 173 V HN 0.910 nan 8.190 nan 0.000 0.454 174 E N 1.443 121.768 120.200 0.209 0.000 2.399 174 E HA 0.190 4.540 4.350 -0.000 0.000 0.205 174 E C -0.458 176.225 176.600 0.139 0.000 0.906 174 E CA 0.247 56.745 56.400 0.162 0.000 0.998 174 E CB 0.887 30.692 29.700 0.175 0.000 1.002 174 E HN 0.824 nan 8.360 nan 0.000 0.501 175 D N -0.694 119.828 120.400 0.203 0.000 2.836 175 D HA 0.187 4.827 4.640 -0.000 0.000 0.215 175 D C -1.775 174.730 176.300 0.342 0.000 1.255 175 D CA -0.610 53.458 54.000 0.114 0.000 0.822 175 D CB 1.016 41.846 40.800 0.049 0.000 1.656 175 D HN -0.045 nan 8.370 nan 0.000 0.511 176 Y N 0.534 121.006 120.300 0.287 0.000 2.609 176 Y HA 0.810 5.360 4.550 -0.000 0.000 0.342 176 Y C -0.574 175.321 175.900 -0.010 0.000 1.058 176 Y CA -1.424 56.797 58.100 0.202 0.000 1.055 176 Y CB 0.675 39.135 38.460 -0.000 0.000 1.292 176 Y HN 0.647 nan 8.280 nan 0.000 0.476 177 C N -0.173 119.133 119.300 0.011 0.000 3.323 177 C HA 0.907 5.367 4.460 -0.000 0.000 0.324 177 C C -1.461 173.279 174.990 -0.417 0.000 1.428 177 C CA -1.119 57.819 59.018 -0.132 0.000 1.368 177 C CB 0.856 28.639 27.740 0.070 0.000 1.731 177 C HN 0.841 nan 8.230 nan 0.000 0.455 178 F N -0.678 119.312 119.950 0.066 0.000 2.654 178 F HA 0.748 5.275 4.527 -0.000 0.000 0.334 178 F C 1.394 177.154 175.800 -0.067 0.000 1.078 178 F CA -0.432 57.568 58.000 -0.001 0.000 0.986 178 F CB 1.078 40.040 39.000 -0.064 0.000 1.362 178 F HN 0.859 nan 8.300 nan 0.000 0.498 179 A N -0.496 122.407 122.820 0.139 0.000 1.978 179 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 179 A C 0.998 178.513 177.584 -0.114 0.000 1.170 179 A CA 1.949 53.993 52.037 0.011 0.000 0.636 179 A CB -0.824 18.187 19.000 0.018 0.000 0.810 179 A HN 0.913 nan 8.150 nan 0.000 0.448 180 D N -2.139 118.179 120.400 -0.138 0.000 3.765 180 D HA -0.168 4.472 4.640 -0.000 0.000 0.174 180 D C -0.311 175.787 176.300 -0.337 0.000 1.131 180 D CA 1.556 55.419 54.000 -0.229 0.000 1.081 180 D CB -1.267 39.418 40.800 -0.193 0.000 0.584 180 D HN 0.283 nan 8.370 nan 0.000 0.662 181 L N 0.897 121.926 121.223 -0.324 0.000 2.325 181 L HA 0.690 5.030 4.340 -0.000 0.000 0.279 181 L C 1.007 177.679 176.870 -0.330 0.000 1.054 181 L CA -0.446 54.173 54.840 -0.370 0.000 0.804 181 L CB 1.240 43.111 42.059 -0.314 0.000 1.200 181 L HN 0.509 nan 8.230 nan 0.000 0.436 182 A N 4.368 126.986 122.820 -0.337 0.000 2.267 182 A HA 0.605 4.925 4.320 -0.000 0.000 0.271 182 A C -2.257 175.201 177.584 -0.209 0.000 1.131 182 A CA -1.260 50.597 52.037 -0.300 0.000 0.818 182 A CB -0.413 18.439 19.000 -0.246 0.000 1.118 182 A HN 0.541 nan 8.150 nan 0.000 0.501 183 P HA 0.087 nan 4.420 nan 0.000 0.270 183 P C -1.054 176.179 177.300 -0.111 0.000 1.223 183 P CA 0.215 63.249 63.100 -0.110 0.000 0.785 183 P CB 0.609 32.268 31.700 -0.068 0.000 0.923 184 Q N 1.028 120.770 119.800 -0.096 0.000 2.418 184 Q HA 0.155 4.495 4.340 -0.000 0.000 0.240 184 Q C -0.946 175.021 176.000 -0.055 0.000 0.859 184 Q CA -0.650 55.086 55.803 -0.110 0.000 0.916 184 Q CB 1.356 29.991 28.738 -0.172 0.000 1.448 184 Q HN 0.439 nan 8.270 nan 0.000 0.439 185 K N 2.936 123.324 120.400 -0.020 0.000 2.218 185 K HA 0.530 4.850 4.320 -0.000 0.000 0.276 185 K C -2.579 174.096 176.600 0.123 0.000 1.022 185 K CA -1.634 54.673 56.287 0.033 0.000 0.946 185 K CB 0.606 33.127 32.500 0.034 0.000 1.000 185 K HN 0.216 nan 8.250 nan 0.000 0.468 186 P HA -0.018 nan 4.420 nan 0.000 0.268 186 P C -0.818 176.554 177.300 0.121 0.000 1.204 186 P CA -0.043 63.154 63.100 0.163 0.000 0.768 186 P CB 0.730 32.468 31.700 0.063 0.000 0.842 187 A N 5.686 128.480 122.820 -0.042 0.000 2.477 187 A HA 0.349 4.669 4.320 -0.000 0.000 0.246 187 A C -1.647 175.871 177.584 -0.111 0.000 1.078 187 A CA -0.896 50.985 52.037 -0.260 0.000 0.770 187 A CB -1.063 17.516 19.000 -0.702 0.000 1.011 187 A HN 0.460 nan 8.150 nan 0.000 0.494 188 P HA 0.191 nan 4.420 nan 0.000 0.270 188 P C -2.565 174.707 177.300 -0.047 0.000 1.223 188 P CA -0.804 62.275 63.100 -0.036 0.000 0.785 188 P CB -0.323 31.367 31.700 -0.016 0.000 0.923 189 P HA 0.223 nan 4.420 nan 0.000 0.271 189 P C -0.707 176.575 177.300 -0.030 0.000 1.216 189 P CA 0.137 63.215 63.100 -0.037 0.000 0.776 189 P CB 0.789 32.472 31.700 -0.029 0.000 0.881 190 L N 2.360 123.561 121.223 -0.037 0.000 2.334 190 L HA 0.300 4.639 4.340 -0.000 0.000 0.276 190 L C 1.102 177.957 176.870 -0.025 0.000 1.014 190 L CA -0.639 54.186 54.840 -0.025 0.000 0.815 190 L CB 1.649 43.690 42.059 -0.031 0.000 1.268 190 L HN 0.248 nan 8.230 nan 0.000 0.428 191 D N 0.064 120.461 120.400 -0.006 0.000 2.271 191 D HA 0.005 4.644 4.640 -0.000 0.000 0.206 191 D C 0.727 177.025 176.300 -0.003 0.000 0.967 191 D CA 0.897 54.895 54.000 -0.004 0.000 0.867 191 D CB 0.539 41.346 40.800 0.011 0.000 0.960 191 D HN 0.640 nan 8.370 nan 0.000 0.509 192 T N 0.008 114.570 114.554 0.013 0.000 2.861 192 T HA 0.340 4.690 4.350 -0.000 0.000 0.287 192 T C -0.543 174.164 174.700 0.011 0.000 1.003 192 T CA -1.110 61.002 62.100 0.019 0.000 0.977 192 T CB 2.521 71.445 68.868 0.094 0.000 0.996 192 T HN -0.184 nan 8.240 nan 0.000 0.448 193 D N 2.390 122.763 120.400 -0.045 0.000 2.449 193 D HA 0.212 4.852 4.640 -0.000 0.000 0.236 193 D C -0.138 176.220 176.300 0.097 0.000 1.149 193 D CA -0.283 53.680 54.000 -0.061 0.000 0.878 193 D CB 0.432 41.173 40.800 -0.099 0.000 1.198 193 D HN 0.379 nan 8.370 nan 0.000 0.446 194 R N 0.942 121.455 120.500 0.022 0.000 2.628 194 R HA 0.505 4.845 4.340 -0.000 0.000 0.288 194 R C -0.917 175.428 176.300 0.075 0.000 0.980 194 R CA -0.805 55.405 56.100 0.182 0.000 0.891 194 R CB 0.784 31.147 30.300 0.105 0.000 1.188 194 R HN 0.359 nan 8.270 nan 0.000 0.450 195 F N 0.179 120.182 119.950 0.088 0.000 2.507 195 F HA 0.624 5.151 4.527 -0.000 0.000 0.327 195 F C 0.202 176.011 175.800 0.015 0.000 1.068 195 F CA -1.096 56.942 58.000 0.063 0.000 0.965 195 F CB 1.791 40.821 39.000 0.051 0.000 1.192 195 F HN -0.022 nan 8.300 nan 0.000 0.476 196 V N 3.533 123.563 119.914 0.193 0.000 2.443 196 V HA 0.336 4.456 4.120 -0.000 0.000 0.293 196 V C -1.084 175.056 176.094 0.077 0.000 1.021 196 V CA -0.735 61.606 62.300 0.068 0.000 0.848 196 V CB 1.756 33.573 31.823 -0.009 0.000 0.998 196 V HN 0.532 nan 8.190 nan 0.000 0.424 197 L N 7.130 128.354 121.223 0.003 0.000 2.260 197 L HA 0.555 4.895 4.340 -0.000 0.000 0.289 197 L C -0.626 176.212 176.870 -0.053 0.000 1.057 197 L CA 0.283 55.106 54.840 -0.028 0.000 0.811 197 L CB 0.613 42.623 42.059 -0.081 0.000 1.184 197 L HN 0.526 nan 8.230 nan 0.000 0.429 198 L N 6.515 127.716 121.223 -0.036 0.000 2.272 198 L HA 0.683 5.023 4.340 -0.000 0.000 0.289 198 L C -0.585 176.239 176.870 -0.076 0.000 1.032 198 L CA -0.695 54.076 54.840 -0.114 0.000 0.810 198 L CB 1.539 43.508 42.059 -0.149 0.000 1.205 198 L HN 0.402 nan 8.230 nan 0.000 0.422 199 V N 1.608 121.451 119.914 -0.118 0.000 3.102 199 V HA 0.791 4.911 4.120 -0.000 0.000 0.312 199 V C -0.381 175.659 176.094 -0.090 0.000 1.135 199 V CA -0.595 61.661 62.300 -0.072 0.000 1.022 199 V CB 2.256 33.984 31.823 -0.157 0.000 1.056 199 V HN 0.834 nan 8.190 nan 0.000 0.436 200 S N 0.463 116.147 115.700 -0.027 0.000 2.565 200 S HA 0.606 5.076 4.470 -0.000 0.000 0.274 200 S C 0.097 174.708 174.600 0.019 0.000 1.144 200 S CA 0.678 58.859 58.200 -0.033 0.000 0.849 200 S CB 1.377 64.555 63.200 -0.037 0.000 1.103 200 S HN 2.656 nan 8.310 nan 0.000 0.455 201 G N 2.194 110.987 108.800 -0.011 0.000 2.182 201 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.248 201 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.248 201 G C 0.659 175.577 174.900 0.030 0.000 1.042 201 G CA 0.302 45.406 45.100 0.008 0.000 0.775 201 G HN 1.039 nan 8.290 nan 0.000 0.501 202 L N 0.345 121.545 121.223 -0.038 0.000 2.189 202 L HA 0.044 4.384 4.340 -0.000 0.000 0.214 202 L C 2.313 179.168 176.870 -0.025 0.000 1.097 202 L CA 1.060 55.858 54.840 -0.069 0.000 0.764 202 L CB -0.578 41.377 42.059 -0.173 0.000 0.900 202 L HN 1.127 nan 8.230 nan 0.000 0.436 203 G N 1.596 110.371 108.800 -0.042 0.000 2.306 203 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.274 203 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.274 203 G C -0.015 174.851 174.900 -0.057 0.000 0.890 203 G CA -0.005 45.059 45.100 -0.059 0.000 1.298 203 G HN 0.248 nan 8.290 nan 0.000 0.445 204 L N 0.075 121.260 121.223 -0.064 0.000 2.371 204 L HA 0.591 4.931 4.340 -0.000 0.000 0.272 204 L C 1.611 178.451 176.870 -0.050 0.000 1.124 204 L CA 0.702 55.514 54.840 -0.047 0.000 0.816 204 L CB 1.258 43.294 42.059 -0.039 0.000 1.129 204 L HN 0.824 nan 8.230 nan 0.000 0.448 205 G N 1.690 110.472 108.800 -0.030 0.000 2.909 205 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.198 205 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.198 205 G C 0.138 175.029 174.900 -0.015 0.000 1.124 205 G CA -0.259 44.830 45.100 -0.019 0.000 0.796 205 G HN 1.059 nan 8.290 nan 0.000 0.489 206 G N -2.011 106.774 108.800 -0.025 0.000 2.725 206 G HA2 0.687 4.647 3.960 -0.000 0.000 0.288 206 G HA3 0.687 4.647 3.960 -0.000 0.000 0.288 206 G C 0.763 175.652 174.900 -0.017 0.000 1.399 206 G CA 1.024 46.113 45.100 -0.018 0.000 0.859 206 G HN 1.873 nan 8.290 nan 0.000 0.479 207 G N -1.855 106.937 108.800 -0.013 0.000 2.255 207 G HA2 0.480 4.440 3.960 -0.000 0.000 0.196 207 G HA3 0.480 4.440 3.960 -0.000 0.000 0.196 207 G C 1.140 176.035 174.900 -0.007 0.000 0.998 207 G CA 1.009 46.103 45.100 -0.011 0.000 0.656 207 G HN 2.879 nan 8.290 nan 0.000 0.490 208 G N -0.874 107.922 108.800 -0.006 0.000 3.019 208 G HA2 0.381 4.341 3.960 -0.000 0.000 0.686 208 G HA3 0.381 4.341 3.960 -0.000 0.000 0.686 208 G C 1.395 176.291 174.900 -0.007 0.000 1.056 208 G CA 0.734 45.830 45.100 -0.006 0.000 0.774 208 G HN 1.814 nan 8.290 nan 0.000 0.583 209 G N 0.169 108.964 108.800 -0.009 0.000 2.605 209 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.222 209 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.222 209 G C 1.309 176.199 174.900 -0.017 0.000 1.092 209 G CA 1.581 46.673 45.100 -0.014 0.000 0.730 209 G HN 0.848 nan 8.290 nan 0.000 0.588 210 E N 0.485 120.675 120.200 -0.016 0.000 2.106 210 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 210 E C 2.655 179.253 176.600 -0.004 0.000 0.984 210 E CA 0.939 57.325 56.400 -0.022 0.000 0.806 210 E CB -0.311 29.375 29.700 -0.022 0.000 0.750 210 E HN 0.379 nan 8.360 nan 0.000 0.458 211 S N 0.146 115.850 115.700 0.007 0.000 2.402 211 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 211 S C 2.031 176.674 174.600 0.071 0.000 1.030 211 S CA 0.802 59.028 58.200 0.043 0.000 1.003 211 S CB -0.111 63.111 63.200 0.037 0.000 0.813 211 S HN 0.185 nan 8.310 nan 0.000 0.477 212 L N 0.330 121.565 121.223 0.020 0.000 1.982 212 L HA -0.035 4.304 4.340 -0.000 0.000 0.206 212 L C 2.400 179.263 176.870 -0.013 0.000 1.078 212 L CA 1.137 55.975 54.840 -0.004 0.000 0.749 212 L CB -0.898 41.148 42.059 -0.023 0.000 0.894 212 L HN 0.320 nan 8.230 nan 0.000 0.436 213 L N 0.814 122.021 121.223 -0.026 0.000 2.064 213 L HA -0.208 4.132 4.340 -0.000 0.000 0.216 213 L C 2.279 179.144 176.870 -0.010 0.000 1.077 213 L CA 2.324 57.141 54.840 -0.038 0.000 0.766 213 L CB -1.204 40.815 42.059 -0.066 0.000 0.890 213 L HN 0.269 nan 8.230 nan 0.000 0.435 214 G N -2.202 106.624 108.800 0.042 0.000 2.459 214 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 214 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 214 G C 1.447 176.398 174.900 0.085 0.000 1.183 214 G CA 1.291 46.469 45.100 0.131 0.000 0.776 214 G HN 0.460 nan 8.290 nan 0.000 0.552 215 T N 0.314 114.917 114.554 0.081 0.000 2.746 215 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 215 T C 2.269 176.812 174.700 -0.262 0.000 1.039 215 T CA 1.617 63.611 62.100 -0.178 0.000 1.142 215 T CB -0.259 68.507 68.868 -0.170 0.000 0.866 215 T HN 0.462 nan 8.240 nan 0.000 0.444 216 Q N 0.559 120.264 119.800 -0.159 0.000 2.061 216 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 216 Q C 2.346 178.239 176.000 -0.178 0.000 0.984 216 Q CA 1.377 57.089 55.803 -0.152 0.000 0.846 216 Q CB -0.365 28.316 28.738 -0.094 0.000 0.902 216 Q HN 0.501 nan 8.270 nan 0.000 0.421 217 L N 0.559 121.690 121.223 -0.154 0.000 2.043 217 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 217 L C 2.596 179.247 176.870 -0.365 0.000 1.075 217 L CA 0.817 55.587 54.840 -0.115 0.000 0.752 217 L CB -0.731 41.388 42.059 0.100 0.000 0.891 217 L HN 0.348 nan 8.230 nan 0.000 0.432 218 L N -0.116 120.588 121.223 -0.866 0.000 1.944 218 L HA -0.205 4.135 4.340 -0.000 0.000 0.218 218 L C 2.478 179.068 176.870 -0.468 0.000 1.075 218 L CA 1.927 56.108 54.840 -1.099 0.000 0.767 218 L CB -0.772 40.674 42.059 -1.022 0.000 0.890 218 L HN -0.054 nan 8.230 nan 0.000 0.434 219 V N 0.379 120.063 119.914 -0.384 0.000 2.231 219 V HA -0.393 3.727 4.120 -0.000 0.000 0.250 219 V C 2.328 178.317 176.094 -0.176 0.000 1.058 219 V CA 2.249 64.393 62.300 -0.259 0.000 1.022 219 V CB -1.132 30.553 31.823 -0.230 0.000 0.640 219 V HN 0.498 nan 8.190 nan 0.000 0.445 220 D N -0.298 120.015 120.400 -0.145 0.000 2.271 220 D HA -0.123 4.517 4.640 -0.000 0.000 0.207 220 D C 1.922 178.201 176.300 -0.034 0.000 0.983 220 D CA 1.087 55.040 54.000 -0.077 0.000 0.878 220 D CB -0.251 40.517 40.800 -0.053 0.000 0.920 220 D HN 0.399 nan 8.370 nan 0.000 0.479 221 V N 0.103 120.003 119.914 -0.024 0.000 2.446 221 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 221 V C 2.528 178.624 176.094 0.003 0.000 1.039 221 V CA 0.971 63.299 62.300 0.047 0.000 1.045 221 V CB -0.301 31.617 31.823 0.159 0.000 0.681 221 V HN 0.094 nan 8.190 nan 0.000 0.459 222 V N -0.565 119.316 119.914 -0.056 0.000 2.453 222 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 222 V C 2.445 178.499 176.094 -0.067 0.000 1.048 222 V CA 2.176 64.428 62.300 -0.078 0.000 1.049 222 V CB -1.622 30.130 31.823 -0.118 0.000 0.672 222 V HN 0.555 nan 8.190 nan 0.000 0.457 223 T N 0.421 114.929 114.554 -0.076 0.000 2.746 223 T HA 0.125 4.475 4.350 -0.000 0.000 0.267 223 T C 1.608 176.289 174.700 -0.032 0.000 1.039 223 T CA 1.999 64.057 62.100 -0.070 0.000 1.142 223 T CB -0.436 68.382 68.868 -0.083 0.000 0.866 223 T HN 0.996 nan 8.240 nan 0.000 0.444 224 G N -0.158 108.637 108.800 -0.009 0.000 2.183 224 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.168 224 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.168 224 G C 0.818 175.732 174.900 0.025 0.000 1.008 224 G CA 0.191 45.308 45.100 0.027 0.000 0.677 224 G HN 0.302 nan 8.290 nan 0.000 0.498 225 Q N -0.404 119.398 119.800 0.004 0.000 1.994 225 Q HA 0.137 4.477 4.340 -0.000 0.000 0.198 225 Q C 1.790 177.800 176.000 0.016 0.000 0.976 225 Q CA 1.724 57.528 55.803 0.002 0.000 0.828 225 Q CB -0.402 28.326 28.738 -0.017 0.000 0.894 225 Q HN 0.943 nan 8.270 nan 0.000 0.432 226 L N -2.399 118.839 121.223 0.024 0.000 2.400 226 L HA 0.808 5.147 4.340 -0.000 0.000 0.264 226 L C 0.492 177.389 176.870 0.044 0.000 1.061 226 L CA -0.032 54.829 54.840 0.035 0.000 0.799 226 L CB 0.476 42.562 42.059 0.044 0.000 1.240 226 L HN 0.391 nan 8.230 nan 0.000 0.461 227 G N -0.175 108.646 108.800 0.036 0.000 2.707 227 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.686 227 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.686 227 G C -1.116 173.793 174.900 0.014 0.000 1.315 227 G CA -0.113 45.000 45.100 0.021 0.000 0.832 227 G HN 1.073 nan 8.290 nan 0.000 0.573 228 D N -0.563 119.826 120.400 -0.018 0.000 2.432 228 D HA 0.360 5.000 4.640 -0.000 0.000 0.258 228 D C 1.759 178.073 176.300 0.023 0.000 1.146 228 D CA -0.304 53.689 54.000 -0.011 0.000 1.015 228 D CB 1.088 41.841 40.800 -0.078 0.000 1.107 228 D HN 0.527 nan 8.370 nan 0.000 0.529 229 E N 0.274 120.523 120.200 0.081 0.000 2.187 229 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 229 E C 1.672 178.310 176.600 0.064 0.000 1.004 229 E CA 1.260 57.784 56.400 0.207 0.000 0.813 229 E CB -0.051 29.798 29.700 0.248 0.000 0.736 229 E HN 0.615 nan 8.360 nan 0.000 0.468 230 G N 1.360 110.134 108.800 -0.044 0.000 2.453 230 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.215 230 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.215 230 G C 1.355 176.135 174.900 -0.201 0.000 1.201 230 G CA 0.542 45.562 45.100 -0.134 0.000 0.784 230 G HN 0.118 nan 8.290 nan 0.000 0.545 231 E N 0.594 120.689 120.200 -0.174 0.000 2.035 231 E HA -0.232 4.118 4.350 -0.000 0.000 0.204 231 E C 2.680 179.217 176.600 -0.105 0.000 1.025 231 E CA 1.593 57.900 56.400 -0.155 0.000 0.835 231 E CB -0.480 29.191 29.700 -0.048 0.000 0.764 231 E HN 0.587 nan 8.360 nan 0.000 0.457 232 Q N -0.022 119.748 119.800 -0.050 0.000 1.998 232 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 232 Q C 2.539 178.356 176.000 -0.305 0.000 1.002 232 Q CA 1.895 57.682 55.803 -0.026 0.000 0.858 232 Q CB -0.639 28.211 28.738 0.187 0.000 0.932 232 Q HN 0.391 nan 8.270 nan 0.000 0.416 233 C N -0.045 118.798 119.300 -0.761 0.000 2.403 233 C HA -0.142 4.318 4.460 -0.000 0.000 0.282 233 C C 2.869 177.624 174.990 -0.391 0.000 1.297 233 C CA 1.335 59.600 59.018 -1.256 0.000 1.785 233 C CB -0.858 26.176 27.740 -1.176 0.000 1.963 233 C HN 0.458 nan 8.230 nan 0.000 0.507 234 S N -0.713 114.842 115.700 -0.242 0.000 2.421 234 S HA 0.202 4.672 4.470 -0.000 0.000 0.224 234 S C 2.117 176.712 174.600 -0.009 0.000 1.035 234 S CA 0.859 58.990 58.200 -0.116 0.000 0.953 234 S CB -0.235 62.716 63.200 -0.414 0.000 0.810 234 S HN 0.779 nan 8.310 nan 0.000 0.497 235 A N 1.528 124.368 122.820 0.034 0.000 1.933 235 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 235 A C 2.283 179.851 177.584 -0.027 0.000 1.175 235 A CA 1.720 53.785 52.037 0.046 0.000 0.628 235 A CB -1.037 17.997 19.000 0.058 0.000 0.814 235 A HN 0.564 nan 8.150 nan 0.000 0.444 236 A N -0.880 121.896 122.820 -0.073 0.000 1.978 236 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 236 A C 1.804 179.314 177.584 -0.122 0.000 1.170 236 A CA 1.878 53.850 52.037 -0.109 0.000 0.636 236 A CB -0.877 18.001 19.000 -0.204 0.000 0.810 236 A HN 0.695 nan 8.150 nan 0.000 0.448 237 H N -1.380 117.664 119.070 -0.043 0.000 2.556 237 H HA 0.196 4.752 4.556 -0.000 0.000 0.268 237 H C 0.123 175.539 175.328 0.148 0.000 0.996 237 H CA 0.260 56.349 56.048 0.067 0.000 1.157 237 H CB -0.088 29.758 29.762 0.140 0.000 1.355 237 H HN 0.214 nan 8.280 nan 0.000 0.597 238 V N 0.641 120.637 119.914 0.136 0.000 2.521 238 V HA -0.075 4.045 4.120 -0.000 0.000 0.286 238 V C 1.316 177.459 176.094 0.081 0.000 1.034 238 V CA 0.601 62.980 62.300 0.133 0.000 1.045 238 V CB 1.463 33.288 31.823 0.004 0.000 0.974 238 V HN 0.369 nan 8.190 nan 0.000 0.480 239 S N 5.300 121.056 115.700 0.094 0.000 2.421 239 S HA 0.237 4.707 4.470 -0.000 0.000 0.224 239 S C 0.803 175.385 174.600 -0.029 0.000 1.035 239 S CA 0.486 58.705 58.200 0.031 0.000 0.953 239 S CB 0.134 63.360 63.200 0.044 0.000 0.810 239 S HN 0.781 nan 8.310 nan 0.000 0.497 240 R N -0.777 119.695 120.500 -0.047 0.000 2.734 240 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 240 R C -1.966 174.278 176.300 -0.093 0.000 1.021 240 R CA -0.749 55.295 56.100 -0.094 0.000 0.893 240 R CB 2.015 32.245 30.300 -0.118 0.000 1.244 240 R HN 0.039 nan 8.270 nan 0.000 0.464 241 V N 2.707 122.555 119.914 -0.109 0.000 2.482 241 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 241 V C -0.570 175.458 176.094 -0.110 0.000 1.026 241 V CA -0.573 61.659 62.300 -0.114 0.000 0.856 241 V CB 1.763 33.503 31.823 -0.138 0.000 1.001 241 V HN 0.519 nan 8.190 nan 0.000 0.424 242 I N 5.895 126.403 120.570 -0.102 0.000 2.339 242 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 242 I C -0.490 175.542 176.117 -0.142 0.000 0.994 242 I CA -0.460 60.791 61.300 -0.082 0.000 1.191 242 I CB 1.385 39.360 38.000 -0.041 0.000 1.343 242 I HN 0.284 nan 8.210 nan 0.000 0.458 243 L N 6.313 127.458 121.223 -0.131 0.000 2.262 243 L HA 0.510 4.850 4.340 -0.000 0.000 0.288 243 L C 0.404 177.214 176.870 -0.099 0.000 1.035 243 L CA -0.500 54.254 54.840 -0.144 0.000 0.820 243 L CB 1.391 43.349 42.059 -0.167 0.000 1.204 243 L HN 0.656 nan 8.230 nan 0.000 0.424 244 A N 3.496 126.258 122.820 -0.097 0.000 2.774 244 A HA 0.615 4.935 4.320 -0.000 0.000 0.326 244 A C 0.885 178.461 177.584 -0.013 0.000 1.478 244 A CA 0.220 52.243 52.037 -0.023 0.000 1.099 244 A CB -0.153 18.843 19.000 -0.006 0.000 1.148 244 A HN 0.985 nan 8.150 nan 0.000 0.519 245 G N 2.098 110.891 108.800 -0.011 0.000 2.953 245 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.421 245 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.421 245 G C 0.124 175.012 174.900 -0.019 0.000 1.531 245 G CA -0.213 44.884 45.100 -0.005 0.000 0.971 245 G HN 1.547 nan 8.290 nan 0.000 0.558 246 N N -1.364 117.331 118.700 -0.008 0.000 2.681 246 N HA -0.160 4.580 4.740 -0.000 0.000 0.259 246 N C 1.211 176.695 175.510 -0.044 0.000 1.066 246 N CA 1.125 54.159 53.050 -0.026 0.000 0.717 246 N CB -0.767 37.700 38.487 -0.033 0.000 0.885 246 N HN 0.641 nan 8.380 nan 0.000 0.547 247 L N -0.918 120.283 121.223 -0.037 0.000 2.463 247 L HA 0.223 4.563 4.340 -0.000 0.000 0.219 247 L C 0.885 177.721 176.870 -0.057 0.000 1.088 247 L CA 0.828 55.633 54.840 -0.058 0.000 0.849 247 L CB 0.157 42.178 42.059 -0.062 0.000 1.012 247 L HN 0.173 nan 8.230 nan 0.000 0.468 248 L N -1.397 119.791 121.223 -0.057 0.000 2.341 248 L HA 0.548 4.888 4.340 -0.000 0.000 0.267 248 L C -0.332 176.366 176.870 -0.286 0.000 1.009 248 L CA -0.302 54.472 54.840 -0.110 0.000 0.819 248 L CB 2.062 44.109 42.059 -0.020 0.000 1.323 248 L HN -0.212 nan 8.230 nan 0.000 0.425 249 S N -0.688 114.766 115.700 -0.411 0.000 2.564 249 S HA 0.663 5.133 4.470 -0.000 0.000 0.274 249 S C -1.252 172.969 174.600 -0.631 0.000 1.124 249 S CA -0.616 57.252 58.200 -0.553 0.000 0.869 249 S CB 1.115 64.167 63.200 -0.246 0.000 1.105 249 S HN 0.666 nan 8.310 nan 0.000 0.472 265 T N -0.426 114.136 114.554 0.013 0.000 2.731 265 T HA -0.390 3.960 4.350 -0.000 0.000 0.263 265 T C 1.580 176.286 174.700 0.011 0.000 1.033 265 T CA 2.353 64.460 62.100 0.012 0.000 1.160 265 T CB -0.748 68.126 68.868 0.010 0.000 0.849 265 T HN 0.450 nan 8.240 nan 0.000 0.469 266 K N 1.907 122.313 120.400 0.010 0.000 1.977 266 K HA -0.124 4.196 4.320 -0.000 0.000 0.218 266 K C 2.279 178.885 176.600 0.010 0.000 1.051 266 K CA 2.130 58.422 56.287 0.009 0.000 0.953 266 K CB -0.609 31.896 32.500 0.008 0.000 0.727 266 K HN 0.537 nan 8.250 nan 0.000 0.445 267 K N -0.511 119.896 120.400 0.012 0.000 2.167 267 K HA 0.018 4.337 4.320 -0.000 0.000 0.203 267 K C 2.145 178.756 176.600 0.018 0.000 1.052 267 K CA 1.462 57.758 56.287 0.013 0.000 0.956 267 K CB -0.158 32.350 32.500 0.013 0.000 0.735 267 K HN 0.272 nan 8.250 nan 0.000 0.451 268 T N 1.552 116.118 114.554 0.021 0.000 2.665 268 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 268 T C 1.804 176.523 174.700 0.031 0.000 1.035 268 T CA 1.406 63.523 62.100 0.028 0.000 1.151 268 T CB -0.178 68.706 68.868 0.028 0.000 0.862 268 T HN 0.308 nan 8.240 nan 0.000 0.438 269 Q N 0.736 120.549 119.800 0.022 0.000 1.956 269 Q HA -0.205 4.135 4.340 -0.000 0.000 0.208 269 Q C 2.678 178.691 176.000 0.022 0.000 0.998 269 Q CA 1.891 57.706 55.803 0.020 0.000 0.855 269 Q CB -0.486 28.259 28.738 0.012 0.000 0.928 269 Q HN 0.507 nan 8.270 nan 0.000 0.418 270 A N 0.988 123.819 122.820 0.017 0.000 1.909 270 A HA -0.331 3.989 4.320 -0.000 0.000 0.221 270 A C 2.307 179.904 177.584 0.022 0.000 1.223 270 A CA 2.879 54.925 52.037 0.016 0.000 0.658 270 A CB -1.418 17.589 19.000 0.013 0.000 0.831 270 A HN 0.661 nan 8.150 nan 0.000 0.462 271 A N -1.262 121.573 122.820 0.026 0.000 1.849 271 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 271 A C 2.505 180.115 177.584 0.043 0.000 1.202 271 A CA 2.669 54.724 52.037 0.031 0.000 0.629 271 A CB -1.382 17.638 19.000 0.033 0.000 0.834 271 A HN 0.713 nan 8.150 nan 0.000 0.447 272 S N -0.907 114.828 115.700 0.059 0.000 2.380 272 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 272 S C 1.900 176.538 174.600 0.063 0.000 1.043 272 S CA 1.842 60.092 58.200 0.084 0.000 1.038 272 S CB -0.636 62.620 63.200 0.093 0.000 0.872 272 S HN 0.357 nan 8.310 nan 0.000 0.456 273 V N 1.291 121.229 119.914 0.041 0.000 2.307 273 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 273 V C 2.502 178.615 176.094 0.032 0.000 1.045 273 V CA 2.194 64.512 62.300 0.030 0.000 1.024 273 V CB -1.021 30.812 31.823 0.016 0.000 0.651 273 V HN 0.508 nan 8.190 nan 0.000 0.449 274 E N 1.118 121.334 120.200 0.027 0.000 2.049 274 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 274 E C 2.117 178.734 176.600 0.028 0.000 1.007 274 E CA 1.988 58.402 56.400 0.023 0.000 0.809 274 E CB -0.698 29.012 29.700 0.017 0.000 0.749 274 E HN 0.472 nan 8.360 nan 0.000 0.450 275 A N 0.309 123.149 122.820 0.032 0.000 1.863 275 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 275 A C 2.572 180.186 177.584 0.050 0.000 1.233 275 A CA 2.670 54.725 52.037 0.031 0.000 0.655 275 A CB -1.358 17.663 19.000 0.035 0.000 0.839 275 A HN 0.227 nan 8.150 nan 0.000 0.454 276 V N 0.971 120.931 119.914 0.076 0.000 2.278 276 V HA -0.387 3.733 4.120 -0.000 0.000 0.251 276 V C 2.588 178.754 176.094 0.120 0.000 1.062 276 V CA 2.725 65.098 62.300 0.121 0.000 1.038 276 V CB -0.919 30.961 31.823 0.095 0.000 0.646 276 V HN 0.750 nan 8.190 nan 0.000 0.447 277 K N -0.301 120.143 120.400 0.073 0.000 2.015 277 K HA -0.271 4.049 4.320 -0.000 0.000 0.216 277 K C 2.232 178.862 176.600 0.050 0.000 1.052 277 K CA 2.502 58.825 56.287 0.061 0.000 0.937 277 K CB -0.302 32.218 32.500 0.034 0.000 0.719 277 K HN 0.413 nan 8.250 nan 0.000 0.446 278 M N 0.580 120.195 119.600 0.024 0.000 2.073 278 M HA -0.220 4.260 4.480 -0.000 0.000 0.258 278 M C 2.344 178.629 176.300 -0.026 0.000 1.070 278 M CA 1.377 56.672 55.300 -0.007 0.000 1.103 278 M CB -0.526 32.063 32.600 -0.019 0.000 1.321 278 M HN 0.257 nan 8.290 nan 0.000 0.405 279 L N 0.888 122.104 121.223 -0.011 0.000 2.129 279 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 279 L C 1.790 178.597 176.870 -0.105 0.000 1.087 279 L CA 2.108 56.908 54.840 -0.065 0.000 0.757 279 L CB -1.011 41.043 42.059 -0.008 0.000 0.896 279 L HN 0.252 nan 8.230 nan 0.000 0.434 280 D N -0.433 119.987 120.400 0.032 0.000 2.084 280 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 280 D C 1.987 178.272 176.300 -0.025 0.000 0.985 280 D CA 1.649 55.687 54.000 0.064 0.000 0.826 280 D CB -0.029 40.879 40.800 0.179 0.000 0.978 280 D HN 0.574 nan 8.370 nan 0.000 0.456 281 E N -0.021 120.168 120.200 -0.017 0.000 2.097 281 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 281 E C 2.470 179.017 176.600 -0.088 0.000 1.000 281 E CA 0.789 57.166 56.400 -0.039 0.000 0.804 281 E CB -0.087 29.594 29.700 -0.031 0.000 0.740 281 E HN 0.423 nan 8.360 nan 0.000 0.454 282 I N 0.979 121.479 120.570 -0.117 0.000 2.163 282 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 282 I C 2.474 178.474 176.117 -0.195 0.000 1.081 282 I CA 0.978 62.180 61.300 -0.163 0.000 1.353 282 I CB -0.241 37.646 38.000 -0.189 0.000 1.054 282 I HN 0.113 nan 8.210 nan 0.000 0.407 283 L N 0.098 121.185 121.223 -0.227 0.000 2.079 283 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 283 L C 2.565 179.314 176.870 -0.201 0.000 1.081 283 L CA 0.907 55.589 54.840 -0.263 0.000 0.752 283 L CB -0.504 41.320 42.059 -0.391 0.000 0.896 283 L HN 0.321 nan 8.230 nan 0.000 0.433 284 L N -0.012 121.124 121.223 -0.144 0.000 1.955 284 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 284 L C 2.614 179.355 176.870 -0.215 0.000 1.072 284 L CA 1.842 56.609 54.840 -0.120 0.000 0.755 284 L CB -0.855 41.181 42.059 -0.038 0.000 0.888 284 L HN 0.282 nan 8.230 nan 0.000 0.432 285 Q N -0.436 119.260 119.800 -0.174 0.000 2.096 285 Q HA -0.269 4.070 4.340 -0.000 0.000 0.208 285 Q C 2.321 178.184 176.000 -0.227 0.000 0.993 285 Q CA 2.245 57.938 55.803 -0.184 0.000 0.862 285 Q CB -0.659 27.991 28.738 -0.146 0.000 0.915 285 Q HN 0.550 nan 8.270 nan 0.000 0.416 286 L N 0.669 121.758 121.223 -0.224 0.000 1.989 286 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 286 L C 2.616 179.330 176.870 -0.261 0.000 1.071 286 L CA 1.377 56.082 54.840 -0.225 0.000 0.749 286 L CB -0.556 41.370 42.059 -0.221 0.000 0.890 286 L HN 0.158 nan 8.230 nan 0.000 0.431 287 S N 0.046 115.565 115.700 -0.302 0.000 2.387 287 S HA -0.231 4.239 4.470 -0.000 0.000 0.230 287 S C 2.047 176.286 174.600 -0.603 0.000 1.035 287 S CA 1.284 59.266 58.200 -0.363 0.000 1.014 287 S CB -0.465 62.551 63.200 -0.306 0.000 0.836 287 S HN 0.517 nan 8.310 nan 0.000 0.466 288 A N 0.066 122.426 122.820 -0.766 0.000 2.172 288 A HA 0.101 4.420 4.320 -0.000 0.000 0.216 288 A C 2.107 179.482 177.584 -0.349 0.000 1.154 288 A CA 1.485 53.039 52.037 -0.804 0.000 0.701 288 A CB -0.303 18.350 19.000 -0.577 0.000 0.789 288 A HN 0.438 nan 8.150 nan 0.000 0.465 289 S N -2.633 112.907 115.700 -0.266 0.000 2.670 289 S HA 0.414 4.884 4.470 -0.000 0.000 0.241 289 S C 0.173 174.697 174.600 -0.126 0.000 1.077 289 S CA 0.655 58.761 58.200 -0.155 0.000 0.899 289 S CB 0.295 63.416 63.200 -0.131 0.000 0.835 289 S HN 0.496 nan 8.310 nan 0.000 0.481 290 V N 1.693 121.518 119.914 -0.149 0.000 3.178 290 V HA 0.544 4.664 4.120 -0.000 0.000 0.302 290 V C -2.972 173.040 176.094 -0.137 0.000 1.262 290 V CA -2.156 60.071 62.300 -0.120 0.000 1.030 290 V CB 2.090 33.847 31.823 -0.108 0.000 1.074 290 V HN 0.086 nan 8.190 nan 0.000 0.438 291 P HA 0.246 nan 4.420 nan 0.000 0.264 291 P C -1.454 175.749 177.300 -0.162 0.000 1.193 291 P CA 0.316 63.323 63.100 -0.155 0.000 0.763 291 P CB 0.520 32.109 31.700 -0.185 0.000 0.810 292 V N 4.300 124.115 119.914 -0.165 0.000 2.577 292 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 292 V C -0.580 175.417 176.094 -0.162 0.000 1.042 292 V CA -0.528 61.674 62.300 -0.164 0.000 0.872 292 V CB 2.221 33.935 31.823 -0.181 0.000 0.998 292 V HN 0.382 nan 8.190 nan 0.000 0.423 293 D N 3.333 123.645 120.400 -0.147 0.000 2.344 293 D HA 0.528 5.168 4.640 -0.000 0.000 0.239 293 D C -0.424 175.770 176.300 -0.177 0.000 1.064 293 D CA -0.114 53.783 54.000 -0.171 0.000 0.829 293 D CB 2.235 42.950 40.800 -0.142 0.000 1.129 293 D HN 0.258 nan 8.370 nan 0.000 0.506 294 V N 2.837 122.642 119.914 -0.182 0.000 2.472 294 V HA 0.478 4.598 4.120 -0.000 0.000 0.290 294 V C 0.330 176.350 176.094 -0.125 0.000 1.037 294 V CA -0.609 61.600 62.300 -0.151 0.000 0.908 294 V CB 1.400 33.128 31.823 -0.158 0.000 0.985 294 V HN 0.415 nan 8.190 nan 0.000 0.454 295 M N 6.812 126.364 119.600 -0.080 0.000 2.383 295 M HA 0.469 4.949 4.480 -0.000 0.000 0.325 295 M C -2.651 173.648 176.300 -0.002 0.000 1.092 295 M CA -1.782 53.492 55.300 -0.042 0.000 0.961 295 M CB 2.711 35.316 32.600 0.008 0.000 1.672 295 M HN 0.390 nan 8.290 nan 0.000 0.438 296 P HA 0.229 nan 4.420 nan 0.000 0.272 296 P C -0.610 176.707 177.300 0.029 0.000 1.230 296 P CA 0.026 63.149 63.100 0.038 0.000 0.788 296 P CB 1.195 32.921 31.700 0.043 0.000 0.949 297 G N 0.572 109.392 108.800 0.033 0.000 3.264 297 G HA2 0.197 4.157 3.960 -0.000 0.000 0.168 297 G HA3 0.197 4.157 3.960 -0.000 0.000 0.168 297 G C 0.712 175.631 174.900 0.032 0.000 1.145 297 G CA -0.079 45.039 45.100 0.029 0.000 0.855 297 G HN 0.408 nan 8.290 nan 0.000 0.629 298 E N -0.529 119.710 120.200 0.064 0.000 2.012 298 E HA -0.082 4.268 4.350 -0.000 0.000 0.211 298 E C 0.145 176.875 176.600 0.217 0.000 1.029 298 E CA 1.459 57.947 56.400 0.147 0.000 0.867 298 E CB -0.260 29.530 29.700 0.149 0.000 0.790 298 E HN 0.126 nan 8.360 nan 0.000 0.482 299 F N 1.244 121.134 119.950 -0.101 0.000 2.389 299 F HA 0.312 4.839 4.527 -0.000 0.000 0.327 299 F C -0.701 175.149 175.800 0.083 0.000 1.204 299 F CA -0.798 57.147 58.000 -0.092 0.000 1.209 299 F CB 0.448 39.485 39.000 0.061 0.000 1.460 299 F HN -0.125 nan 8.300 nan 0.000 0.537 300 D N 1.376 121.835 120.400 0.099 0.000 2.272 300 D HA 0.323 4.963 4.640 -0.000 0.000 0.247 300 D C -2.374 173.964 176.300 0.063 0.000 0.990 300 D CA -1.906 52.167 54.000 0.122 0.000 0.931 300 D CB 1.552 42.411 40.800 0.099 0.000 1.195 300 D HN 0.001 nan 8.370 nan 0.000 0.477 301 P HA 0.065 nan 4.420 nan 0.000 0.248 301 P C -0.454 176.883 177.300 0.062 0.000 1.550 301 P CA 0.693 63.827 63.100 0.056 0.000 1.252 301 P CB 0.073 31.793 31.700 0.033 0.000 1.869 302 T N 0.600 115.197 114.554 0.071 0.000 2.661 302 T HA 0.178 4.528 4.350 -0.000 0.000 0.303 302 T C -1.421 173.356 174.700 0.129 0.000 1.658 302 T CA -0.948 61.200 62.100 0.080 0.000 0.974 302 T CB 0.309 69.216 68.868 0.065 0.000 1.857 302 T HN 0.191 nan 8.240 nan 0.000 0.475 303 N N 1.665 120.438 118.700 0.122 0.000 2.479 303 N HA 0.097 4.837 4.740 -0.000 0.000 0.257 303 N C 0.238 175.903 175.510 0.258 0.000 1.232 303 N CA -0.086 53.065 53.050 0.168 0.000 0.920 303 N CB 0.498 39.047 38.487 0.104 0.000 1.105 303 N HN 0.556 nan 8.380 nan 0.000 0.444 304 Y N 0.146 120.411 120.300 -0.059 0.000 2.365 304 Y HA -0.007 4.543 4.550 -0.000 0.000 0.293 304 Y C 2.042 177.954 175.900 0.020 0.000 1.119 304 Y CA 0.159 58.224 58.100 -0.057 0.000 1.203 304 Y CB -0.899 37.498 38.460 -0.106 0.000 1.026 304 Y HN 0.569 nan 8.280 nan 0.000 0.549 305 T N 0.270 114.944 114.554 0.200 0.000 2.636 305 T HA -0.081 4.269 4.350 -0.000 0.000 0.348 305 T C 1.486 176.288 174.700 0.170 0.000 1.076 305 T CA -0.175 62.016 62.100 0.151 0.000 1.064 305 T CB 0.270 69.198 68.868 0.100 0.000 0.995 305 T HN 0.103 nan 8.240 nan 0.000 0.547 306 L N 2.748 124.090 121.223 0.198 0.000 1.973 306 L HA 0.229 4.569 4.340 -0.000 0.000 0.208 306 L C -1.257 175.802 176.870 0.316 0.000 1.073 306 L CA 1.521 56.532 54.840 0.284 0.000 0.746 306 L CB -1.897 40.443 42.059 0.467 0.000 0.891 306 L HN 0.566 nan 8.230 nan 0.000 0.433 307 P HA 0.034 nan 4.420 nan 0.000 0.252 307 P C -0.849 176.576 177.300 0.209 0.000 1.694 307 P CA 0.146 63.457 63.100 0.352 0.000 1.163 307 P CB -0.275 31.639 31.700 0.356 0.000 1.934 308 Q N 2.074 121.971 119.800 0.162 0.000 2.274 308 Q HA 0.020 4.360 4.340 -0.000 0.000 0.280 308 Q C 0.437 176.495 176.000 0.097 0.000 1.047 308 Q CA 0.071 55.941 55.803 0.112 0.000 0.907 308 Q CB 0.417 29.203 28.738 0.080 0.000 1.171 308 Q HN 0.358 nan 8.270 nan 0.000 0.381 309 Q N 2.821 122.670 119.800 0.083 0.000 2.259 309 Q HA 0.310 4.650 4.340 -0.000 0.000 0.246 309 Q C -2.151 173.876 176.000 0.045 0.000 0.920 309 Q CA -2.239 53.604 55.803 0.066 0.000 0.895 309 Q CB 0.068 28.838 28.738 0.054 0.000 1.220 309 Q HN 0.400 nan 8.270 nan 0.000 0.439 310 P HA -0.144 nan 4.420 nan 0.000 0.272 310 P C -0.210 177.109 177.300 0.031 0.000 1.210 310 P CA 0.442 63.553 63.100 0.018 0.000 0.789 310 P CB 0.440 32.140 31.700 0.000 0.000 0.849 311 L N 1.061 122.321 121.223 0.063 0.000 2.456 311 L HA 0.204 4.544 4.340 -0.000 0.000 0.257 311 L C 1.110 178.009 176.870 0.049 0.000 1.162 311 L CA -0.537 54.352 54.840 0.081 0.000 0.808 311 L CB 0.256 42.418 42.059 0.172 0.000 1.136 311 L HN 0.472 nan 8.230 nan 0.000 0.466 312 H N 2.650 121.674 119.070 -0.076 0.000 2.690 312 H HA 0.145 4.701 4.556 -0.000 0.000 0.314 312 H C -1.904 173.328 175.328 -0.159 0.000 1.069 312 H CA -2.116 53.875 56.048 -0.095 0.000 1.436 312 H CB 1.602 31.307 29.762 -0.095 0.000 1.462 312 H HN 0.260 nan 8.280 nan 0.000 0.511 313 P HA -0.205 nan 4.420 nan 0.000 0.219 313 P C 1.609 178.956 177.300 0.078 0.000 1.144 313 P CA 1.388 64.577 63.100 0.148 0.000 0.806 313 P CB -0.148 31.626 31.700 0.124 0.000 0.771 314 C N -2.912 116.467 119.300 0.131 0.000 2.443 314 C HA 0.008 4.468 4.460 -0.000 0.000 0.290 314 C C 2.182 177.027 174.990 -0.242 0.000 1.476 314 C CA 0.306 59.219 59.018 -0.175 0.000 1.772 314 C CB -2.022 25.400 27.740 -0.530 0.000 1.714 314 C HN 0.142 nan 8.230 nan 0.000 0.562 315 M N -0.662 118.702 119.600 -0.394 0.000 2.429 315 M HA 0.268 4.748 4.480 -0.000 0.000 0.265 315 M C -0.058 175.932 176.300 -0.516 0.000 1.120 315 M CA 0.981 55.914 55.300 -0.612 0.000 1.173 315 M CB -0.059 31.858 32.600 -1.137 0.000 1.343 315 M HN 0.261 nan 8.290 nan 0.000 0.464 316 F N 0.041 120.005 119.950 0.024 0.000 2.387 316 F HA 0.356 4.883 4.527 -0.000 0.000 0.332 316 F C -2.031 173.781 175.800 0.021 0.000 1.174 316 F CA -3.039 54.971 58.000 0.016 0.000 1.257 316 F CB -0.878 38.128 39.000 0.011 0.000 1.569 316 F HN -0.132 nan 8.300 nan 0.000 0.554 317 P HA -0.187 nan 4.420 nan 0.000 0.210 317 P C 2.083 179.443 177.300 0.100 0.000 1.189 317 P CA 1.470 64.617 63.100 0.079 0.000 0.920 317 P CB 0.366 32.091 31.700 0.042 0.000 0.782 318 L N -1.014 120.270 121.223 0.101 0.000 1.991 318 L HA -0.320 4.020 4.340 -0.000 0.000 0.221 318 L C 2.504 179.458 176.870 0.140 0.000 1.079 318 L CA 2.237 57.138 54.840 0.100 0.000 0.778 318 L CB -1.457 40.652 42.059 0.084 0.000 0.893 318 L HN -0.004 nan 8.230 nan 0.000 0.437 319 A N 0.138 123.045 122.820 0.146 0.000 1.841 319 A HA -0.225 4.095 4.320 -0.000 0.000 0.214 319 A C 2.364 180.058 177.584 0.183 0.000 1.195 319 A CA 2.416 54.539 52.037 0.144 0.000 0.611 319 A CB -1.277 17.751 19.000 0.045 0.000 0.835 319 A HN 0.561 nan 8.150 nan 0.000 0.443 320 T N -1.350 113.303 114.554 0.165 0.000 2.882 320 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 320 T C 1.647 176.395 174.700 0.081 0.000 1.104 320 T CA 1.688 63.865 62.100 0.128 0.000 1.118 320 T CB -0.701 68.241 68.868 0.123 0.000 0.831 320 T HN 0.721 nan 8.240 nan 0.000 0.529 321 A N -0.028 122.831 122.820 0.066 0.000 2.125 321 A HA 0.158 4.478 4.320 -0.000 0.000 0.219 321 A C 0.577 178.051 177.584 -0.183 0.000 1.156 321 A CA 0.394 52.391 52.037 -0.066 0.000 0.671 321 A CB -0.662 18.270 19.000 -0.113 0.000 0.794 321 A HN 0.665 nan 8.150 nan 0.000 0.459 322 Y N -0.036 120.258 120.300 -0.010 0.000 2.320 322 Y HA 0.266 4.816 4.550 -0.000 0.000 0.334 322 Y C 1.698 177.582 175.900 -0.026 0.000 1.055 322 Y CA 0.041 58.127 58.100 -0.023 0.000 1.143 322 Y CB 1.425 39.864 38.460 -0.036 0.000 1.193 322 Y HN 0.229 nan 8.280 nan 0.000 0.477 323 S N -1.236 114.525 115.700 0.102 0.000 2.547 323 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 323 S C 1.552 176.175 174.600 0.039 0.000 0.980 323 S CA 1.151 59.381 58.200 0.049 0.000 0.941 323 S CB -0.682 62.533 63.200 0.025 0.000 0.763 323 S HN 0.857 nan 8.310 nan 0.000 0.532 324 T N -0.680 113.915 114.554 0.069 0.000 3.054 324 T HA 0.262 4.612 4.350 -0.000 0.000 0.259 324 T C 0.540 175.208 174.700 -0.052 0.000 1.092 324 T CA -0.306 61.785 62.100 -0.015 0.000 1.121 324 T CB -0.509 68.340 68.868 -0.032 0.000 0.912 324 T HN 0.315 nan 8.240 nan 0.000 0.489 325 L N 1.906 123.125 121.223 -0.007 0.000 2.452 325 L HA 0.478 4.818 4.340 -0.000 0.000 0.267 325 L C -0.273 176.572 176.870 -0.041 0.000 1.188 325 L CA 0.071 54.886 54.840 -0.041 0.000 0.821 325 L CB 0.734 42.795 42.059 0.003 0.000 1.102 325 L HN 0.426 nan 8.230 nan 0.000 0.470 326 Q N 4.536 124.295 119.800 -0.068 0.000 2.331 326 Q HA 0.344 4.684 4.340 -0.000 0.000 0.249 326 Q C -2.086 173.869 176.000 -0.075 0.000 0.913 326 Q CA -0.493 55.274 55.803 -0.060 0.000 0.874 326 Q CB 1.064 29.750 28.738 -0.087 0.000 1.384 326 Q HN 0.747 nan 8.270 nan 0.000 0.427 327 L N 5.123 126.329 121.223 -0.027 0.000 2.312 327 L HA 0.407 4.747 4.340 -0.000 0.000 0.287 327 L C 0.586 177.412 176.870 -0.074 0.000 1.091 327 L CA -0.724 54.102 54.840 -0.023 0.000 0.846 327 L CB 0.170 42.269 42.059 0.066 0.000 1.219 327 L HN 0.441 nan 8.230 nan 0.000 0.439 328 V N 0.030 119.837 119.914 -0.179 0.000 3.262 328 V HA 0.586 4.706 4.120 -0.000 0.000 0.313 328 V C 0.850 176.859 176.094 -0.141 0.000 1.070 328 V CA -0.576 61.584 62.300 -0.233 0.000 1.049 328 V CB 1.366 32.807 31.823 -0.636 0.000 1.157 328 V HN 0.775 nan 8.190 nan 0.000 0.454 329 T N -0.191 114.315 114.554 -0.081 0.000 2.680 329 T HA 0.081 4.431 4.350 -0.000 0.000 0.314 329 T C 0.845 175.526 174.700 -0.032 0.000 1.045 329 T CA 0.713 62.813 62.100 0.000 0.000 1.025 329 T CB 0.220 69.133 68.868 0.075 0.000 1.000 329 T HN 0.949 nan 8.240 nan 0.000 0.535 330 N N 1.086 119.783 118.700 -0.005 0.000 2.173 330 N HA 0.093 4.833 4.740 -0.000 0.000 0.195 330 N C -2.088 173.325 175.510 -0.162 0.000 1.049 330 N CA -0.375 52.656 53.050 -0.031 0.000 0.977 330 N CB -1.434 37.063 38.487 0.016 0.000 1.163 330 N HN 0.384 nan 8.380 nan 0.000 0.505 331 P HA -0.082 nan 4.420 nan 0.000 0.253 331 P C -1.093 175.637 177.300 -0.951 0.000 1.159 331 P CA 0.705 63.397 63.100 -0.680 0.000 0.779 331 P CB -0.596 30.602 31.700 -0.836 0.000 0.745 332 Y N 4.384 124.303 120.300 -0.635 0.000 2.341 332 Y HA 0.424 4.974 4.550 -0.000 0.000 0.337 332 Y C -0.290 175.437 175.900 -0.288 0.000 1.014 332 Y CA -0.801 57.065 58.100 -0.391 0.000 1.111 332 Y CB 1.257 39.661 38.460 -0.094 0.000 1.194 332 Y HN 0.350 nan 8.280 nan 0.000 0.462 333 Q N 3.967 123.601 119.800 -0.277 0.000 2.394 333 Q HA 0.901 5.241 4.340 -0.000 0.000 0.273 333 Q C -1.571 174.239 176.000 -0.318 0.000 1.089 333 Q CA -1.266 54.368 55.803 -0.281 0.000 0.812 333 Q CB 2.510 31.263 28.738 0.025 0.000 1.353 333 Q HN 0.890 nan 8.270 nan 0.000 0.438 334 A N 0.798 123.434 122.820 -0.307 0.000 2.569 334 A HA 0.551 4.871 4.320 -0.000 0.000 0.292 334 A C -1.363 176.105 177.584 -0.193 0.000 1.032 334 A CA -0.643 51.211 52.037 -0.305 0.000 0.669 334 A CB 1.629 20.399 19.000 -0.383 0.000 1.290 334 A HN 0.473 nan 8.150 nan 0.000 0.422 335 T N 1.949 116.357 114.554 -0.245 0.000 2.874 335 T HA 0.524 4.874 4.350 -0.000 0.000 0.321 335 T C -0.286 174.374 174.700 -0.067 0.000 1.075 335 T CA 0.116 62.170 62.100 -0.076 0.000 0.966 335 T CB -0.243 68.603 68.868 -0.037 0.000 1.001 335 T HN 0.427 nan 8.240 nan 0.000 0.476 336 I N 2.661 123.237 120.570 0.010 0.000 2.342 336 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 336 I C 0.277 176.428 176.117 0.056 0.000 1.010 336 I CA -0.529 60.794 61.300 0.038 0.000 1.308 336 I CB 0.829 38.751 38.000 -0.131 0.000 1.400 336 I HN 0.539 nan 8.210 nan 0.000 0.488 337 D N 5.593 126.033 120.400 0.067 0.000 2.739 337 D HA -0.224 4.416 4.640 -0.000 0.000 0.230 337 D C 1.134 177.455 176.300 0.035 0.000 1.167 337 D CA 1.685 55.716 54.000 0.052 0.000 0.640 337 D CB -0.844 39.985 40.800 0.048 0.000 1.045 337 D HN 1.127 nan 8.370 nan 0.000 0.421 338 G N -2.515 106.306 108.800 0.035 0.000 2.157 338 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 338 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 338 G C 0.249 175.144 174.900 -0.009 0.000 0.979 338 G CA 0.148 45.257 45.100 0.014 0.000 0.650 338 G HN 0.575 nan 8.290 nan 0.000 0.529 339 V N 1.191 121.138 119.914 0.055 0.000 2.409 339 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 339 V C 0.841 177.131 176.094 0.327 0.000 1.020 339 V CA -0.912 61.437 62.300 0.081 0.000 0.848 339 V CB 1.557 33.493 31.823 0.188 0.000 0.990 339 V HN 0.337 nan 8.190 nan 0.000 0.430 340 R N 3.522 124.319 120.500 0.496 0.000 2.296 340 R HA 0.371 4.711 4.340 -0.000 0.000 0.323 340 R C -1.140 175.348 176.300 0.313 0.000 1.067 340 R CA 0.030 56.352 56.100 0.370 0.000 0.946 340 R CB 0.342 30.789 30.300 0.244 0.000 0.991 340 R HN 0.479 nan 8.270 nan 0.000 0.448 341 F N 3.267 123.221 119.950 0.006 0.000 2.458 341 F HA 0.488 5.015 4.527 -0.000 0.000 0.330 341 F C -0.219 175.483 175.800 -0.163 0.000 1.082 341 F CA -0.920 57.067 58.000 -0.022 0.000 0.995 341 F CB 1.504 40.509 39.000 0.008 0.000 1.170 341 F HN 0.231 nan 8.300 nan 0.000 0.478 342 L N 1.951 123.114 121.223 -0.100 0.000 2.526 342 L HA 0.863 5.203 4.340 -0.000 0.000 0.263 342 L C -0.944 175.418 176.870 -0.846 0.000 0.943 342 L CA -0.115 54.539 54.840 -0.310 0.000 0.859 342 L CB 1.833 43.869 42.059 -0.039 0.000 1.313 342 L HN 0.649 nan 8.230 nan 0.000 0.406 343 G N 1.153 109.212 108.800 -1.236 0.000 2.601 343 G HA2 0.621 4.581 3.960 -0.000 0.000 0.291 343 G HA3 0.621 4.581 3.960 -0.000 0.000 0.291 343 G C -1.351 173.036 174.900 -0.854 0.000 1.456 343 G CA 0.102 44.031 45.100 -1.952 0.000 0.804 343 G HN 0.876 nan 8.290 nan 0.000 0.499 344 T N -2.572 111.717 114.554 -0.442 0.000 2.916 344 T HA 0.611 4.961 4.350 -0.000 0.000 0.292 344 T C 1.057 175.802 174.700 0.075 0.000 1.064 344 T CA 0.376 62.386 62.100 -0.150 0.000 1.011 344 T CB 1.586 70.346 68.868 -0.181 0.000 1.152 344 T HN 1.254 nan 8.240 nan 0.000 0.510 345 S N -0.238 115.498 115.700 0.060 0.000 2.803 345 S HA 0.484 4.954 4.470 -0.000 0.000 0.228 345 S C 1.623 176.240 174.600 0.028 0.000 0.953 345 S CA 0.080 58.322 58.200 0.069 0.000 0.983 345 S CB -0.929 62.297 63.200 0.044 0.000 0.784 345 S HN 1.861 nan 8.310 nan 0.000 0.498 346 G N 1.438 110.246 108.800 0.013 0.000 3.047 346 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.203 346 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.203 346 G C 0.779 175.685 174.900 0.009 0.000 1.444 346 G CA 0.104 45.201 45.100 -0.004 0.000 1.020 346 G HN 0.418 nan 8.290 nan 0.000 0.563 347 Q N 1.466 121.278 119.800 0.021 0.000 2.129 347 Q HA -0.335 4.005 4.340 -0.000 0.000 0.218 347 Q C 2.428 178.466 176.000 0.063 0.000 1.040 347 Q CA 3.379 59.209 55.803 0.045 0.000 0.913 347 Q CB -0.641 28.136 28.738 0.065 0.000 1.030 347 Q HN 0.854 nan 8.270 nan 0.000 0.419 348 N N 0.270 119.010 118.700 0.066 0.000 2.037 348 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 348 N C 1.676 177.261 175.510 0.126 0.000 1.034 348 N CA 2.230 55.344 53.050 0.106 0.000 0.861 348 N CB -1.028 37.512 38.487 0.088 0.000 1.039 348 N HN 0.231 nan 8.380 nan 0.000 0.427 349 V N 1.054 121.038 119.914 0.117 0.000 2.358 349 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 349 V C 2.530 178.721 176.094 0.162 0.000 1.047 349 V CA 1.902 64.299 62.300 0.161 0.000 1.035 349 V CB -0.827 31.097 31.823 0.169 0.000 0.658 349 V HN 0.389 nan 8.190 nan 0.000 0.452 350 S N -0.116 115.644 115.700 0.100 0.000 2.402 350 S HA -0.244 4.226 4.470 -0.000 0.000 0.233 350 S C 1.648 176.291 174.600 0.072 0.000 1.030 350 S CA 1.748 59.984 58.200 0.060 0.000 1.003 350 S CB -0.346 62.859 63.200 0.008 0.000 0.813 350 S HN 0.660 nan 8.310 nan 0.000 0.477 351 D N 1.192 121.618 120.400 0.043 0.000 2.146 351 D HA 0.095 4.735 4.640 -0.000 0.000 0.209 351 D C 1.998 178.247 176.300 -0.086 0.000 0.973 351 D CA 0.651 54.611 54.000 -0.065 0.000 0.860 351 D CB -0.395 40.364 40.800 -0.069 0.000 1.015 351 D HN 0.304 nan 8.370 nan 0.000 0.465 352 I N 1.006 121.580 120.570 0.008 0.000 2.290 352 I HA -0.312 3.857 4.170 -0.000 0.000 0.253 352 I C 2.360 178.452 176.117 -0.041 0.000 1.112 352 I CA 0.988 62.275 61.300 -0.021 0.000 1.377 352 I CB -0.283 37.742 38.000 0.042 0.000 1.060 352 I HN -0.063 nan 8.210 nan 0.000 0.428 353 F N 1.956 121.838 119.950 -0.114 0.000 2.113 353 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 353 F C 2.648 178.372 175.800 -0.127 0.000 1.103 353 F CA 1.542 59.463 58.000 -0.131 0.000 1.248 353 F CB -0.355 38.588 39.000 -0.095 0.000 0.999 353 F HN -0.174 nan 8.300 nan 0.000 0.475 354 R N -1.114 119.505 120.500 0.199 0.000 2.117 354 R HA -0.210 4.130 4.340 -0.000 0.000 0.243 354 R C 1.293 177.722 176.300 0.215 0.000 1.143 354 R CA 1.749 57.887 56.100 0.063 0.000 0.968 354 R CB -0.517 29.732 30.300 -0.085 0.000 0.863 354 R HN 0.347 nan 8.270 nan 0.000 0.444 355 Y N -1.079 119.179 120.300 -0.070 0.000 2.507 355 Y HA 0.357 4.907 4.550 -0.000 0.000 0.254 355 Y C 0.633 176.440 175.900 -0.155 0.000 1.171 355 Y CA -0.785 57.275 58.100 -0.067 0.000 1.238 355 Y CB -0.051 38.418 38.460 0.015 0.000 1.148 355 Y HN -0.089 nan 8.280 nan 0.000 0.525 356 S N -1.249 114.381 115.700 -0.118 0.000 2.766 356 S HA 0.455 4.925 4.470 -0.000 0.000 0.307 356 S C 1.134 175.538 174.600 -0.327 0.000 1.121 356 S CA -0.056 57.997 58.200 -0.246 0.000 0.980 356 S CB 1.871 64.853 63.200 -0.363 0.000 1.159 356 S HN 0.020 nan 8.310 nan 0.000 0.546 357 S N 0.363 115.883 115.700 -0.300 0.000 2.497 357 S HA 0.342 4.812 4.470 -0.000 0.000 0.218 357 S C 0.597 175.001 174.600 -0.326 0.000 1.023 357 S CA -0.204 57.824 58.200 -0.287 0.000 0.913 357 S CB -0.473 62.622 63.200 -0.175 0.000 0.800 357 S HN 0.713 nan 8.310 nan 0.000 0.505 358 M N 2.316 121.723 119.600 -0.322 0.000 2.240 358 M HA 0.003 4.482 4.480 -0.000 0.000 0.346 358 M C 1.041 177.150 176.300 -0.319 0.000 1.236 358 M CA 0.396 55.535 55.300 -0.269 0.000 0.986 358 M CB 0.436 32.877 32.600 -0.265 0.000 1.786 358 M HN 0.244 nan 8.290 nan 0.000 0.457 359 E N 1.488 121.572 120.200 -0.193 0.000 2.152 359 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 359 E C -0.148 176.398 176.600 -0.089 0.000 0.934 359 E CA 0.560 56.888 56.400 -0.120 0.000 0.869 359 E CB -0.073 29.592 29.700 -0.058 0.000 0.842 359 E HN 0.691 nan 8.360 nan 0.000 0.472 360 D N 1.132 121.492 120.400 -0.067 0.000 2.382 360 D HA -0.040 4.600 4.640 -0.000 0.000 0.259 360 D C 1.160 177.440 176.300 -0.034 0.000 1.224 360 D CA 0.247 54.228 54.000 -0.031 0.000 0.894 360 D CB 0.438 41.244 40.800 0.010 0.000 1.127 360 D HN 0.064 nan 8.370 nan 0.000 0.487 361 H N 3.151 122.267 119.070 0.078 0.000 2.352 361 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 361 H C 1.863 177.218 175.328 0.045 0.000 1.097 361 H CA 0.874 56.963 56.048 0.068 0.000 1.311 361 H CB -0.050 29.723 29.762 0.019 0.000 1.377 361 H HN 0.422 nan 8.280 nan 0.000 0.504 362 L N 1.658 122.963 121.223 0.138 0.000 2.129 362 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 362 L C 2.393 179.307 176.870 0.074 0.000 1.087 362 L CA 1.831 56.709 54.840 0.062 0.000 0.757 362 L CB -0.579 41.481 42.059 0.003 0.000 0.896 362 L HN 0.286 nan 8.230 nan 0.000 0.434 363 E N -0.328 119.914 120.200 0.070 0.000 2.016 363 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 363 E C 2.265 178.944 176.600 0.131 0.000 0.985 363 E CA 1.481 57.925 56.400 0.075 0.000 0.802 363 E CB -0.299 29.423 29.700 0.037 0.000 0.762 363 E HN 0.588 nan 8.360 nan 0.000 0.448 364 I N 1.118 121.755 120.570 0.110 0.000 2.236 364 I HA -0.292 3.878 4.170 -0.000 0.000 0.249 364 I C 2.622 178.905 176.117 0.276 0.000 1.102 364 I CA 0.666 62.064 61.300 0.163 0.000 1.365 364 I CB -0.368 37.703 38.000 0.118 0.000 1.051 364 I HN 0.286 nan 8.210 nan 0.000 0.420 365 L N 0.993 122.350 121.223 0.223 0.000 1.994 365 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 365 L C 2.567 179.588 176.870 0.252 0.000 1.071 365 L CA 2.002 56.999 54.840 0.261 0.000 0.745 365 L CB -0.676 41.494 42.059 0.185 0.000 0.892 365 L HN 0.217 nan 8.230 nan 0.000 0.431 366 E N -1.544 118.749 120.200 0.155 0.000 2.118 366 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 366 E C 1.992 178.597 176.600 0.008 0.000 0.992 366 E CA 1.456 57.884 56.400 0.047 0.000 0.804 366 E CB -0.413 29.305 29.700 0.030 0.000 0.741 366 E HN 0.601 nan 8.360 nan 0.000 0.458 367 W N 1.674 122.935 121.300 -0.065 0.000 2.311 367 W HA -0.309 4.351 4.660 -0.000 0.000 0.326 367 W C 2.689 179.120 176.519 -0.145 0.000 1.239 367 W CA 3.424 60.700 57.345 -0.115 0.000 1.258 367 W CB -1.075 28.339 29.460 -0.078 0.000 1.165 367 W HN 0.200 nan 8.180 nan 0.000 0.466 368 T N -0.907 113.653 114.554 0.011 0.000 2.737 368 T HA -0.313 4.037 4.350 -0.000 0.000 0.269 368 T C 1.856 176.321 174.700 -0.392 0.000 1.040 368 T CA 1.757 63.784 62.100 -0.123 0.000 1.142 368 T CB -0.950 68.059 68.868 0.236 0.000 0.861 368 T HN 0.153 nan 8.240 nan 0.000 0.456 369 L N 0.525 121.450 121.223 -0.496 0.000 2.141 369 L HA 0.129 4.469 4.340 -0.000 0.000 0.209 369 L C 2.747 179.176 176.870 -0.736 0.000 1.094 369 L CA 1.388 55.698 54.840 -0.883 0.000 0.763 369 L CB -0.374 41.238 42.059 -0.746 0.000 0.908 369 L HN 0.127 nan 8.230 nan 0.000 0.437 370 R N -1.342 118.813 120.500 -0.576 0.000 2.200 370 R HA 0.140 4.480 4.340 -0.000 0.000 0.208 370 R C 1.483 177.441 176.300 -0.570 0.000 1.033 370 R CA 0.705 56.493 56.100 -0.519 0.000 1.000 370 R CB -0.345 29.675 30.300 -0.466 0.000 0.906 370 R HN 0.251 nan 8.270 nan 0.000 0.462 371 V N 1.157 120.634 119.914 -0.728 0.000 3.421 371 V HA 0.151 4.271 4.120 -0.000 0.000 0.316 371 V C 0.812 176.756 176.094 -0.250 0.000 1.347 371 V CA -0.206 61.727 62.300 -0.613 0.000 1.183 371 V CB -0.718 30.448 31.823 -1.096 0.000 1.092 371 V HN 0.285 nan 8.190 nan 0.000 0.433 372 R N 1.442 121.758 120.500 -0.308 0.000 3.484 372 R HA -0.228 4.112 4.340 -0.000 0.000 0.260 372 R C -0.005 176.497 176.300 0.336 0.000 1.053 372 R CA 0.756 56.782 56.100 -0.122 0.000 0.703 372 R CB -1.485 28.774 30.300 -0.069 0.000 1.089 372 R HN 0.704 nan 8.270 nan 0.000 0.459 373 H N -0.489 118.741 119.070 0.268 0.000 3.287 373 H HA 0.133 4.689 4.556 -0.000 0.000 0.329 373 H C 1.231 176.784 175.328 0.375 0.000 1.130 373 H CA -0.400 55.863 56.048 0.358 0.000 1.593 373 H CB 0.567 30.446 29.762 0.194 0.000 1.916 373 H HN 0.045 nan 8.280 nan 0.000 0.503 374 I N 2.416 123.097 120.570 0.185 0.000 2.229 374 I HA -0.265 3.905 4.170 -0.000 0.000 0.250 374 I C 0.798 177.043 176.117 0.213 0.000 1.096 374 I CA 1.721 63.086 61.300 0.108 0.000 1.358 374 I CB -0.059 37.698 38.000 -0.406 0.000 1.047 374 I HN 0.319 nan 8.210 nan 0.000 0.422 375 S N -0.538 115.419 115.700 0.428 0.000 2.689 375 S HA 0.224 4.694 4.470 -0.000 0.000 0.151 375 S C -1.784 173.224 174.600 0.679 0.000 1.155 375 S CA -0.960 57.535 58.200 0.492 0.000 1.144 375 S CB 0.574 63.971 63.200 0.327 0.000 1.526 375 S HN -0.071 nan 8.310 nan 0.000 0.419 376 P HA -0.104 nan 4.420 nan 0.000 0.219 376 P C 1.348 178.754 177.300 0.176 0.000 1.146 376 P CA 1.146 64.248 63.100 0.003 0.000 0.808 376 P CB -0.216 31.510 31.700 0.044 0.000 0.779 377 T N -1.655 113.044 114.554 0.241 0.000 3.228 377 T HA 0.185 4.535 4.350 -0.000 0.000 0.261 377 T C 0.674 175.501 174.700 0.210 0.000 1.171 377 T CA 0.057 62.269 62.100 0.187 0.000 1.056 377 T CB -0.850 68.086 68.868 0.113 0.000 0.938 377 T HN 0.091 nan 8.240 nan 0.000 0.539 378 A N 1.674 124.652 122.820 0.262 0.000 2.325 378 A HA 0.763 5.083 4.320 -0.000 0.000 0.333 378 A C -2.618 175.034 177.584 0.113 0.000 1.155 378 A CA -1.837 50.333 52.037 0.220 0.000 0.814 378 A CB 0.881 20.063 19.000 0.304 0.000 1.206 378 A HN 0.309 nan 8.150 nan 0.000 0.482 379 P HA 0.282 nan 4.420 nan 0.000 0.274 379 P C -0.989 176.147 177.300 -0.273 0.000 1.237 379 P CA -0.155 62.897 63.100 -0.079 0.000 0.793 379 P CB 0.502 32.221 31.700 0.033 0.000 0.977 380 D N 0.302 120.449 120.400 -0.421 0.000 2.304 380 D HA 0.463 5.103 4.640 -0.000 0.000 0.250 380 D C 0.218 176.382 176.300 -0.225 0.000 1.107 380 D CA 0.514 54.292 54.000 -0.371 0.000 0.885 380 D CB 0.351 40.901 40.800 -0.417 0.000 1.192 380 D HN 0.397 nan 8.370 nan 0.000 0.436 389 K N 2.282 122.653 120.400 -0.049 0.000 3.205 389 K HA 0.470 4.790 4.320 -0.000 0.000 0.202 389 K C -1.034 175.513 176.600 -0.089 0.000 1.160 389 K CA 0.112 56.301 56.287 -0.163 0.000 0.995 389 K CB 0.736 33.124 32.500 -0.187 0.000 1.041 389 K HN 0.210 nan 8.250 nan 0.000 0.507 390 T N 0.206 114.712 114.554 -0.080 0.000 2.841 390 T HA 0.177 4.527 4.350 -0.000 0.000 0.283 390 T C -0.565 174.072 174.700 -0.106 0.000 1.000 390 T CA -0.653 61.407 62.100 -0.066 0.000 0.977 390 T CB 2.073 70.914 68.868 -0.045 0.000 0.979 390 T HN 0.043 nan 8.240 nan 0.000 0.446 391 D N 3.399 123.750 120.400 -0.082 0.000 2.339 391 D HA 0.184 4.824 4.640 -0.000 0.000 0.256 391 D C -1.446 174.773 176.300 -0.135 0.000 1.214 391 D CA -1.965 51.964 54.000 -0.119 0.000 0.877 391 D CB 1.740 42.533 40.800 -0.011 0.000 1.111 391 D HN 0.146 nan 8.370 nan 0.000 0.478 392 P HA -0.042 nan 4.420 nan 0.000 0.219 392 P C 1.075 178.346 177.300 -0.048 0.000 1.150 392 P CA 0.744 63.706 63.100 -0.231 0.000 0.814 392 P CB 0.006 31.501 31.700 -0.342 0.000 0.787 393 F N -0.790 118.936 119.950 -0.373 0.000 2.772 393 F HA 0.113 4.640 4.527 -0.000 0.000 0.302 393 F C 0.796 176.214 175.800 -0.637 0.000 1.225 393 F CA -0.338 57.345 58.000 -0.529 0.000 1.429 393 F CB -0.388 38.249 39.000 -0.605 0.000 1.104 393 F HN -0.148 nan 8.300 nan 0.000 0.550 394 I N 0.672 121.140 120.570 -0.170 0.000 2.355 394 I HA 0.161 4.331 4.170 -0.000 0.000 0.288 394 I C -0.462 175.644 176.117 -0.018 0.000 0.999 394 I CA -0.967 60.340 61.300 0.013 0.000 1.163 394 I CB 0.754 38.847 38.000 0.156 0.000 1.316 394 I HN -0.170 nan 8.210 nan 0.000 0.454 395 F N 8.084 127.976 119.950 -0.097 0.000 2.569 395 F HA 0.084 4.611 4.527 -0.000 0.000 0.395 395 F C -1.471 174.258 175.800 -0.117 0.000 1.028 395 F CA -1.288 56.637 58.000 -0.125 0.000 1.158 395 F CB -0.264 38.613 39.000 -0.204 0.000 1.023 395 F HN 0.371 nan 8.300 nan 0.000 0.547 396 P HA -0.035 nan 4.420 nan 0.000 0.217 396 P C -0.092 177.208 177.300 -0.000 0.000 1.154 396 P CA 1.155 64.271 63.100 0.027 0.000 0.841 396 P CB 0.471 32.173 31.700 0.004 0.000 0.790 397 E N -2.513 117.685 120.200 -0.004 0.000 2.423 397 E HA 0.364 4.714 4.350 -0.000 0.000 0.269 397 E C -1.283 175.292 176.600 -0.043 0.000 0.948 397 E CA -0.987 55.387 56.400 -0.043 0.000 0.802 397 E CB 2.221 31.893 29.700 -0.046 0.000 1.339 397 E HN -0.174 nan 8.360 nan 0.000 0.445 398 C N 3.014 122.240 119.300 -0.122 0.000 2.330 398 C HA 0.498 4.958 4.460 -0.000 0.000 0.344 398 C C -2.110 172.748 174.990 -0.220 0.000 1.273 398 C CA -2.029 56.891 59.018 -0.165 0.000 1.879 398 C CB -0.008 27.591 27.740 -0.235 0.000 2.376 398 C HN 0.443 nan 8.230 nan 0.000 0.534 399 P HA 0.110 nan 4.420 nan 0.000 0.272 399 P C -0.271 176.862 177.300 -0.279 0.000 1.254 399 P CA 0.445 63.452 63.100 -0.155 0.000 0.795 399 P CB 0.872 32.575 31.700 0.005 0.000 1.022 400 H N -1.999 117.025 119.070 -0.078 0.000 2.506 400 H HA 0.212 4.768 4.556 -0.000 0.000 0.289 400 H C -0.017 175.196 175.328 -0.191 0.000 1.009 400 H CA 0.286 56.268 56.048 -0.110 0.000 1.303 400 H CB 0.569 30.284 29.762 -0.079 0.000 1.453 400 H HN 0.000 nan 8.280 nan 0.000 0.526 401 V N 0.877 120.686 119.914 -0.174 0.000 2.531 401 V HA 0.186 4.306 4.120 -0.000 0.000 0.301 401 V C -1.598 174.394 176.094 -0.170 0.000 1.034 401 V CA -0.975 61.114 62.300 -0.351 0.000 0.865 401 V CB 1.906 33.099 31.823 -1.051 0.000 0.995 401 V HN 0.164 nan 8.190 nan 0.000 0.424 402 Y N 7.147 127.325 120.300 -0.204 0.000 2.326 402 Y HA 0.742 5.292 4.550 -0.000 0.000 0.329 402 Y C -0.805 175.044 175.900 -0.085 0.000 0.973 402 Y CA -1.705 56.288 58.100 -0.178 0.000 1.162 402 Y CB 1.377 39.766 38.460 -0.120 0.000 1.147 402 Y HN 0.647 nan 8.280 nan 0.000 0.456 403 F N 4.186 123.895 119.950 -0.401 0.000 2.572 403 F HA 0.848 5.375 4.527 -0.000 0.000 0.342 403 F C -1.068 174.480 175.800 -0.419 0.000 1.064 403 F CA -2.096 55.711 58.000 -0.321 0.000 1.008 403 F CB 0.803 39.725 39.000 -0.129 0.000 1.303 403 F HN 0.577 nan 8.300 nan 0.000 0.492 404 C N 1.413 120.827 119.300 0.190 0.000 2.888 404 C HA 0.796 5.256 4.460 -0.000 0.000 0.308 404 C C 1.000 176.050 174.990 0.100 0.000 1.213 404 C CA 0.292 59.343 59.018 0.055 0.000 1.461 404 C CB 0.810 28.518 27.740 -0.053 0.000 1.934 404 C HN 1.387 nan 8.230 nan 0.000 0.474 405 G N 2.667 111.503 108.800 0.059 0.000 1.990 405 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.705 405 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.705 405 G C 0.374 175.250 174.900 -0.040 0.000 1.350 405 G CA -0.201 44.909 45.100 0.018 0.000 1.103 405 G HN 0.968 nan 8.290 nan 0.000 0.530 406 N N 1.105 119.767 118.700 -0.063 0.000 3.027 406 N HA 0.064 4.804 4.740 -0.000 0.000 0.309 406 N C -0.062 175.345 175.510 -0.171 0.000 1.222 406 N CA -0.038 52.960 53.050 -0.088 0.000 1.187 406 N CB -0.075 38.368 38.487 -0.073 0.000 1.458 406 N HN 0.193 nan 8.380 nan 0.000 0.535 407 T N 2.029 116.463 114.554 -0.200 0.000 2.903 407 T HA 0.042 4.392 4.350 -0.000 0.000 0.314 407 T C -0.899 173.655 174.700 -0.243 0.000 1.078 407 T CA -0.798 61.090 62.100 -0.352 0.000 1.114 407 T CB 1.110 69.827 68.868 -0.252 0.000 0.987 407 T HN 0.314 nan 8.240 nan 0.000 0.548 408 P HA 0.116 nan 4.420 nan 0.000 0.241 408 P C -0.301 176.969 177.300 -0.050 0.000 1.191 408 P CA 0.138 63.163 63.100 -0.125 0.000 0.771 408 P CB 0.514 32.157 31.700 -0.095 0.000 0.929 409 S N -0.535 115.143 115.700 -0.037 0.000 2.533 409 S HA 0.348 4.818 4.470 -0.000 0.000 0.271 409 S C -0.932 173.700 174.600 0.054 0.000 1.143 409 S CA -0.587 57.633 58.200 0.033 0.000 0.891 409 S CB 0.948 64.181 63.200 0.055 0.000 1.105 409 S HN 0.036 nan 8.310 nan 0.000 0.468 410 F N 2.431 122.376 119.950 -0.009 0.000 2.602 410 F HA 0.502 5.029 4.527 -0.000 0.000 0.367 410 F C 0.624 176.437 175.800 0.021 0.000 1.126 410 F CA 0.675 58.677 58.000 0.004 0.000 1.321 410 F CB 0.165 39.168 39.000 0.006 0.000 1.094 410 F HN 0.611 nan 8.300 nan 0.000 0.594 411 G N 3.021 111.031 108.800 -1.317 0.000 2.719 411 G HA2 0.517 4.477 3.960 -0.000 0.000 0.298 411 G HA3 0.517 4.477 3.960 -0.000 0.000 0.298 411 G C -1.918 172.373 174.900 -1.015 0.000 1.411 411 G CA -0.447 44.111 45.100 -0.903 0.000 0.991 411 G HN 0.903 nan 8.290 nan 0.000 0.509 412 S N 0.280 115.668 115.700 -0.520 0.000 2.535 412 S HA 0.813 5.283 4.470 -0.000 0.000 0.272 412 S C -1.164 173.393 174.600 -0.072 0.000 1.149 412 S CA -0.720 57.340 58.200 -0.233 0.000 0.888 412 S CB 1.946 65.134 63.200 -0.021 0.000 1.110 412 S HN 1.208 nan 8.310 nan 0.000 0.463 413 K N 3.612 123.975 120.400 -0.061 0.000 2.598 413 K HA 0.523 4.843 4.320 -0.000 0.000 0.271 413 K C -2.002 174.552 176.600 -0.078 0.000 0.947 413 K CA -0.704 55.556 56.287 -0.045 0.000 0.854 413 K CB 1.094 33.575 32.500 -0.031 0.000 1.401 413 K HN 0.662 nan 8.250 nan 0.000 0.415 414 I N 5.651 126.161 120.570 -0.100 0.000 2.377 414 I HA 0.463 4.633 4.170 -0.000 0.000 0.293 414 I C 0.044 176.100 176.117 -0.102 0.000 0.987 414 I CA -1.059 60.149 61.300 -0.155 0.000 1.185 414 I CB 1.373 39.203 38.000 -0.284 0.000 1.341 414 I HN 0.601 nan 8.210 nan 0.000 0.455 415 I N 3.608 124.119 120.570 -0.098 0.000 2.892 415 I HA 0.665 4.835 4.170 -0.000 0.000 0.306 415 I C -0.930 175.139 176.117 -0.081 0.000 1.078 415 I CA -0.927 60.326 61.300 -0.078 0.000 1.032 415 I CB 2.274 40.223 38.000 -0.084 0.000 1.229 415 I HN 0.504 nan 8.210 nan 0.000 0.435 416 R N 2.247 122.706 120.500 -0.069 0.000 2.919 416 R HA 0.792 5.132 4.340 -0.000 0.000 0.260 416 R C -0.414 175.831 176.300 -0.092 0.000 1.067 416 R CA -0.981 55.079 56.100 -0.066 0.000 1.003 416 R CB 2.014 32.292 30.300 -0.036 0.000 1.192 416 R HN 0.975 nan 8.270 nan 0.000 0.488 417 G N 0.255 108.996 108.800 -0.098 0.000 2.714 417 G HA2 0.428 4.388 3.960 -0.000 0.000 0.292 417 G HA3 0.428 4.388 3.960 -0.000 0.000 0.292 417 G C -2.296 172.539 174.900 -0.108 0.000 1.308 417 G CA -1.461 43.566 45.100 -0.122 0.000 0.964 417 G HN 0.166 nan 8.290 nan 0.000 0.484 418 P HA -0.168 nan 4.420 nan 0.000 0.210 418 P C 0.157 177.399 177.300 -0.096 0.000 1.151 418 P CA 1.273 64.300 63.100 -0.121 0.000 0.949 418 P CB 0.114 31.725 31.700 -0.148 0.000 0.786 419 E N 0.810 120.952 120.200 -0.097 0.000 1.814 419 E HA 0.112 4.462 4.350 -0.000 0.000 0.264 419 E C -0.651 175.907 176.600 -0.070 0.000 1.179 419 E CA -0.159 56.196 56.400 -0.075 0.000 0.972 419 E CB -1.572 28.084 29.700 -0.074 0.000 1.077 419 E HN 0.315 nan 8.360 nan 0.000 0.417 420 D N 2.795 123.161 120.400 -0.057 0.000 7.216 420 D HA -0.247 4.393 4.640 -0.000 0.000 0.166 420 D C -0.556 175.718 176.300 -0.044 0.000 1.310 420 D CA 0.739 54.712 54.000 -0.046 0.000 0.825 420 D CB -0.314 40.469 40.800 -0.029 0.000 1.567 420 D HN 0.313 nan 8.370 nan 0.000 0.908 421 Q N 1.059 120.823 119.800 -0.060 0.000 2.351 421 Q HA 0.731 5.071 4.340 -0.000 0.000 0.273 421 Q C -0.427 175.545 176.000 -0.047 0.000 1.077 421 Q CA -0.916 54.850 55.803 -0.062 0.000 0.843 421 Q CB 2.173 30.845 28.738 -0.110 0.000 1.367 421 Q HN 0.397 nan 8.270 nan 0.000 0.449 422 T N 0.216 114.758 114.554 -0.020 0.000 2.824 422 T HA 0.684 5.034 4.350 -0.000 0.000 0.282 422 T C -0.970 173.710 174.700 -0.034 0.000 0.993 422 T CA -0.663 61.433 62.100 -0.006 0.000 0.967 422 T CB 1.107 70.018 68.868 0.071 0.000 0.960 422 T HN 0.287 nan 8.240 nan 0.000 0.441 423 V N 3.674 123.539 119.914 -0.082 0.000 2.668 423 V HA 0.452 4.572 4.120 -0.000 0.000 0.304 423 V C -1.089 174.939 176.094 -0.110 0.000 1.071 423 V CA -0.956 61.285 62.300 -0.098 0.000 0.894 423 V CB 2.075 33.812 31.823 -0.142 0.000 1.008 423 V HN 0.803 nan 8.190 nan 0.000 0.425 424 L N 6.820 127.977 121.223 -0.110 0.000 2.257 424 L HA 0.625 4.964 4.340 -0.000 0.000 0.290 424 L C -0.607 176.221 176.870 -0.069 0.000 1.044 424 L CA 0.341 55.108 54.840 -0.122 0.000 0.810 424 L CB 0.598 42.565 42.059 -0.154 0.000 1.193 424 L HN 0.525 nan 8.230 nan 0.000 0.425 425 L N 5.685 126.883 121.223 -0.043 0.000 2.379 425 L HA 0.785 5.125 4.340 -0.000 0.000 0.269 425 L C -0.632 176.215 176.870 -0.038 0.000 1.084 425 L CA -1.036 53.809 54.840 0.009 0.000 0.802 425 L CB 1.633 43.711 42.059 0.031 0.000 1.175 425 L HN 0.382 nan 8.230 nan 0.000 0.448 426 V N -0.166 119.729 119.914 -0.032 0.000 2.891 426 V HA 0.333 4.453 4.120 -0.000 0.000 0.304 426 V C -0.383 175.660 176.094 -0.086 0.000 1.171 426 V CA -0.655 61.594 62.300 -0.085 0.000 0.943 426 V CB 2.303 34.129 31.823 0.006 0.000 1.037 426 V HN 0.889 nan 8.190 nan 0.000 0.427 427 T N 0.600 115.031 114.554 -0.205 0.000 2.842 427 T HA 0.617 4.967 4.350 -0.000 0.000 0.308 427 T C -0.546 174.080 174.700 -0.123 0.000 1.041 427 T CA -0.608 61.410 62.100 -0.136 0.000 0.964 427 T CB 1.116 69.903 68.868 -0.136 0.000 0.972 427 T HN 0.341 nan 8.240 nan 0.000 0.460 428 V N 7.814 127.704 119.914 -0.039 0.000 2.387 428 V HA 0.273 4.393 4.120 -0.000 0.000 0.260 428 V C -1.530 174.572 176.094 0.014 0.000 1.054 428 V CA -1.738 60.571 62.300 0.016 0.000 0.967 428 V CB 0.232 32.035 31.823 -0.033 0.000 1.036 428 V HN 0.786 nan 8.190 nan 0.000 0.481 429 P HA -0.077 nan 4.420 nan 0.000 0.270 429 P C -0.451 176.867 177.300 0.031 0.000 1.216 429 P CA -0.038 63.080 63.100 0.030 0.000 0.788 429 P CB 0.705 32.453 31.700 0.079 0.000 0.883 430 D N 0.760 121.159 120.400 -0.003 0.000 2.422 430 D HA 0.029 4.669 4.640 -0.000 0.000 0.227 430 D C 0.978 177.311 176.300 0.056 0.000 1.190 430 D CA -0.454 53.556 54.000 0.017 0.000 0.905 430 D CB -0.833 39.949 40.800 -0.029 0.000 1.034 430 D HN 0.152 nan 8.370 nan 0.000 0.507 431 F N 3.184 123.115 119.950 -0.033 0.000 2.141 431 F HA -0.307 4.220 4.527 -0.000 0.000 0.300 431 F C 2.418 178.200 175.800 -0.031 0.000 1.079 431 F CA 1.912 59.899 58.000 -0.023 0.000 1.264 431 F CB -0.357 38.617 39.000 -0.043 0.000 1.011 431 F HN 0.464 nan 8.300 nan 0.000 0.487 432 S N -0.477 115.325 115.700 0.169 0.000 2.381 432 S HA -0.286 4.184 4.470 -0.000 0.000 0.230 432 S C 1.935 176.529 174.600 -0.009 0.000 1.052 432 S CA 1.784 60.033 58.200 0.081 0.000 1.068 432 S CB -0.597 62.620 63.200 0.028 0.000 0.918 432 S HN 0.493 nan 8.310 nan 0.000 0.448 433 A N -0.847 121.946 122.820 -0.045 0.000 2.431 433 A HA 0.315 4.635 4.320 -0.000 0.000 0.239 433 A C 1.894 179.415 177.584 -0.106 0.000 1.230 433 A CA 0.915 52.912 52.037 -0.067 0.000 0.928 433 A CB -0.151 18.820 19.000 -0.049 0.000 1.006 433 A HN 0.669 nan 8.150 nan 0.000 0.520 434 T N -4.155 110.302 114.554 -0.162 0.000 3.026 434 T HA 0.093 4.443 4.350 -0.000 0.000 0.245 434 T C 0.591 175.080 174.700 -0.351 0.000 1.004 434 T CA 0.861 62.849 62.100 -0.187 0.000 1.069 434 T CB -0.243 68.553 68.868 -0.119 0.000 1.005 434 T HN 0.362 nan 8.240 nan 0.000 0.472 435 Q N 1.572 120.930 119.800 -0.737 0.000 2.470 435 Q HA -0.108 4.232 4.340 -0.000 0.000 0.294 435 Q C -0.972 174.544 176.000 -0.806 0.000 1.356 435 Q CA 0.831 55.758 55.803 -1.461 0.000 0.805 435 Q CB -2.581 25.761 28.738 -0.660 0.000 1.157 435 Q HN 0.704 nan 8.270 nan 0.000 0.431 436 T N -0.878 113.381 114.554 -0.491 0.000 2.896 436 T HA 0.885 5.235 4.350 -0.000 0.000 0.297 436 T C -0.745 174.093 174.700 0.229 0.000 1.108 436 T CA -0.144 61.941 62.100 -0.026 0.000 1.004 436 T CB 2.266 71.100 68.868 -0.055 0.000 1.159 436 T HN 0.431 nan 8.240 nan 0.000 0.499 437 A N 0.344 123.298 122.820 0.223 0.000 2.606 437 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 437 A C -0.637 177.011 177.584 0.107 0.000 1.082 437 A CA -0.822 51.343 52.037 0.214 0.000 0.685 437 A CB 0.984 20.133 19.000 0.248 0.000 1.284 437 A HN 1.167 nan 8.150 nan 0.000 0.408 438 c N 1.718 120.404 118.600 0.144 0.000 2.364 438 c HA 0.824 5.394 4.570 -0.000 0.000 0.356 438 c C -0.584 173.558 174.090 0.087 0.000 1.201 438 c CA -0.585 55.827 56.329 0.138 0.000 2.227 438 c CB -0.327 42.418 42.510 0.391 0.000 2.387 438 c HN 0.713 nan 8.230 nan 0.000 0.546 439 L N 5.771 127.041 121.223 0.078 0.000 2.342 439 L HA 0.454 4.793 4.340 -0.000 0.000 0.276 439 L C -0.627 176.356 176.870 0.188 0.000 0.997 439 L CA -0.455 54.451 54.840 0.110 0.000 0.838 439 L CB 1.656 43.723 42.059 0.014 0.000 1.224 439 L HN 0.568 nan 8.230 nan 0.000 0.416 440 V N 3.142 123.160 119.914 0.173 0.000 2.383 440 V HA 0.240 4.360 4.120 -0.000 0.000 0.275 440 V C 0.349 176.413 176.094 -0.050 0.000 1.036 440 V CA -0.714 61.649 62.300 0.105 0.000 0.889 440 V CB 1.428 33.357 31.823 0.176 0.000 0.985 440 V HN 0.641 nan 8.190 nan 0.000 0.459 441 N N 4.590 123.130 118.700 -0.267 0.000 2.444 441 N HA 0.259 4.999 4.740 -0.000 0.000 0.271 441 N C 0.702 176.041 175.510 -0.285 0.000 1.069 441 N CA -0.288 52.367 53.050 -0.658 0.000 0.965 441 N CB 1.592 39.608 38.487 -0.786 0.000 1.092 441 N HN 0.644 nan 8.380 nan 0.000 0.476 442 L N 3.453 124.555 121.223 -0.202 0.000 2.395 442 L HA -0.011 4.329 4.340 -0.000 0.000 0.218 442 L C 2.150 178.965 176.870 -0.091 0.000 1.130 442 L CA 0.558 55.363 54.840 -0.059 0.000 0.826 442 L CB -0.165 41.911 42.059 0.028 0.000 0.941 442 L HN 0.593 nan 8.230 nan 0.000 0.451 443 R N -0.168 120.243 120.500 -0.147 0.000 2.310 443 R HA 0.002 4.342 4.340 -0.000 0.000 0.202 443 R C 1.608 177.829 176.300 -0.131 0.000 0.933 443 R CA 1.046 57.071 56.100 -0.126 0.000 1.054 443 R CB 0.098 30.320 30.300 -0.130 0.000 0.985 443 R HN 0.269 nan 8.270 nan 0.000 0.489 444 S N -0.556 115.067 115.700 -0.128 0.000 2.648 444 S HA 0.166 4.636 4.470 -0.000 0.000 0.270 444 S C 0.301 174.913 174.600 0.021 0.000 1.080 444 S CA -0.195 57.960 58.200 -0.074 0.000 1.159 444 S CB 0.290 63.414 63.200 -0.127 0.000 1.091 444 S HN 0.198 nan 8.310 nan 0.000 0.605 445 L N 0.927 122.124 121.223 -0.043 0.000 3.468 445 L HA -0.086 4.254 4.340 -0.000 0.000 0.537 445 L C -0.035 176.776 176.870 -0.098 0.000 1.321 445 L CA 0.840 55.643 54.840 -0.062 0.000 0.899 445 L CB -1.989 40.033 42.059 -0.061 0.000 1.635 445 L HN 0.617 nan 8.230 nan 0.000 0.856 446 A N -0.160 122.606 122.820 -0.090 0.000 2.285 446 A HA 0.721 5.041 4.320 -0.000 0.000 0.310 446 A C 0.031 177.617 177.584 0.004 0.000 1.266 446 A CA -0.315 51.664 52.037 -0.097 0.000 0.832 446 A CB 1.221 20.177 19.000 -0.074 0.000 1.163 446 A HN 0.367 nan 8.150 nan 0.000 0.499 447 c N 1.736 120.371 118.600 0.059 0.000 2.405 447 c HA 0.762 5.332 4.570 -0.000 0.000 0.365 447 c C 0.140 174.337 174.090 0.179 0.000 1.233 447 c CA 0.004 56.440 56.329 0.179 0.000 2.230 447 c CB 0.865 43.578 42.510 0.339 0.000 2.443 447 c HN 0.903 nan 8.230 nan 0.000 0.556 448 Q N 4.484 124.337 119.800 0.088 0.000 2.295 448 Q HA 0.444 4.784 4.340 -0.000 0.000 0.268 448 Q C -2.889 172.956 176.000 -0.259 0.000 1.010 448 Q CA -1.146 54.626 55.803 -0.053 0.000 0.856 448 Q CB 2.297 31.086 28.738 0.086 0.000 1.349 448 Q HN 0.400 nan 8.270 nan 0.000 0.412 449 P HA 0.318 nan 4.420 nan 0.000 0.274 449 P C -0.892 176.243 177.300 -0.276 0.000 1.237 449 P CA -0.133 62.619 63.100 -0.579 0.000 0.793 449 P CB 0.721 31.934 31.700 -0.810 0.000 0.977 450 I N 0.653 121.098 120.570 -0.207 0.000 2.499 450 I HA 0.296 4.466 4.170 -0.000 0.000 0.288 450 I C -0.519 175.390 176.117 -0.346 0.000 1.048 450 I CA -0.432 60.707 61.300 -0.268 0.000 1.062 450 I CB 2.076 39.962 38.000 -0.190 0.000 1.238 450 I HN 0.164 nan 8.210 nan 0.000 0.426 451 S N 5.540 120.916 115.700 -0.541 0.000 2.532 451 S HA 0.697 5.167 4.470 -0.000 0.000 0.299 451 S C -0.816 173.404 174.600 -0.633 0.000 1.105 451 S CA -0.511 57.430 58.200 -0.430 0.000 1.018 451 S CB 1.300 64.354 63.200 -0.244 0.000 1.021 451 S HN 0.281 nan 8.310 nan 0.000 0.483 452 F N 1.751 121.657 119.950 -0.074 0.000 2.458 452 F HA 0.774 5.301 4.527 -0.000 0.000 0.330 452 F C 0.804 176.564 175.800 -0.066 0.000 1.082 452 F CA -0.544 57.436 58.000 -0.032 0.000 0.995 452 F CB 1.808 40.836 39.000 0.046 0.000 1.170 452 F HN 0.596 nan 8.300 nan 0.000 0.478 453 S N 0.043 115.803 115.700 0.099 0.000 2.552 453 S HA 0.865 5.335 4.470 -0.000 0.000 0.272 453 S C -0.962 173.640 174.600 0.003 0.000 1.150 453 S CA -0.867 57.349 58.200 0.028 0.000 0.849 453 S CB 1.496 64.692 63.200 -0.006 0.000 1.113 453 S HN 1.094 nan 8.310 nan 0.000 0.458 454 G N 1.053 109.823 108.800 -0.049 0.000 2.638 454 G HA2 0.618 4.578 3.960 -0.000 0.000 0.302 454 G HA3 0.618 4.578 3.960 -0.000 0.000 0.302 454 G C -0.525 174.288 174.900 -0.145 0.000 1.365 454 G CA -0.992 44.010 45.100 -0.163 0.000 0.987 454 G HN 1.081 nan 8.290 nan 0.000 0.495 455 F N 1.009 120.966 119.950 0.012 0.000 2.628 455 F HA 0.566 5.093 4.527 -0.000 0.000 0.362 455 F C 0.593 176.396 175.800 0.005 0.000 1.148 455 F CA -0.908 57.096 58.000 0.006 0.000 1.352 455 F CB 0.269 39.272 39.000 0.005 0.000 1.081 455 F HN 0.546 nan 8.300 nan 0.000 0.605 456 G N 0.392 109.377 108.800 0.309 0.000 2.568 456 G HA2 0.616 4.576 3.960 -0.000 0.000 0.313 456 G HA3 0.616 4.576 3.960 -0.000 0.000 0.313 456 G C -1.257 173.761 174.900 0.196 0.000 1.227 456 G CA -0.914 44.309 45.100 0.204 0.000 0.979 456 G HN 1.075 nan 8.290 nan 0.000 0.486 457 A N 0.141 123.040 122.820 0.131 0.000 2.505 457 A HA 0.515 4.835 4.320 -0.000 0.000 0.271 457 A C 0.333 177.944 177.584 0.046 0.000 1.112 457 A CA 0.601 52.685 52.037 0.079 0.000 0.781 457 A CB -0.236 18.799 19.000 0.057 0.000 1.059 457 A HN 0.694 nan 8.150 nan 0.000 0.508 458 E N 1.349 121.562 120.200 0.021 0.000 2.388 458 E HA 0.393 4.743 4.350 -0.000 0.000 0.280 458 E C -2.250 174.341 176.600 -0.015 0.000 1.019 458 E CA -0.653 55.752 56.400 0.008 0.000 0.806 458 E CB 1.679 31.390 29.700 0.018 0.000 1.246 458 E HN 0.558 nan 8.360 nan 0.000 0.443 459 D N 1.491 121.883 120.400 -0.012 0.000 2.863 459 D HA 0.272 4.912 4.640 -0.000 0.000 0.245 459 D C -1.393 174.899 176.300 -0.013 0.000 1.211 459 D CA -0.339 53.650 54.000 -0.019 0.000 0.888 459 D CB 1.778 42.568 40.800 -0.017 0.000 1.483 459 D HN 0.306 nan 8.370 nan 0.000 0.533 460 D N 1.366 121.757 120.400 -0.015 0.000 2.706 460 D HA 0.184 4.824 4.640 -0.000 0.000 0.236 460 D C -0.294 175.999 176.300 -0.012 0.000 1.231 460 D CA -0.083 53.910 54.000 -0.011 0.000 0.828 460 D CB 0.441 41.234 40.800 -0.011 0.000 1.015 460 D HN 0.170 nan 8.370 nan 0.000 0.484 461 D N -0.622 119.771 120.400 -0.012 0.000 2.563 461 D HA 0.205 4.845 4.640 -0.000 0.000 0.237 461 D C 1.212 177.507 176.300 -0.008 0.000 1.282 461 D CA 0.053 54.047 54.000 -0.011 0.000 0.816 461 D CB 0.664 41.455 40.800 -0.015 0.000 1.066 461 D HN 0.183 nan 8.370 nan 0.000 0.501 462 L N -1.935 119.284 121.223 -0.007 0.000 2.678 462 L HA 0.445 4.785 4.340 -0.000 0.000 0.211 462 L C 1.471 178.339 176.870 -0.003 0.000 1.043 462 L CA 0.040 54.878 54.840 -0.004 0.000 0.881 462 L CB -0.698 41.359 42.059 -0.003 0.000 1.361 462 L HN 0.085 nan 8.230 nan 0.000 0.484 463 G N 0.803 109.601 108.800 -0.003 0.000 2.578 463 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.284 463 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.284 463 G C 0.373 175.273 174.900 -0.000 0.000 1.283 463 G CA -0.207 44.892 45.100 -0.002 0.000 0.944 463 G HN 0.596 nan 8.290 nan 0.000 0.558 464 G N -0.682 108.117 108.800 -0.000 0.000 2.360 464 G HA2 0.604 4.564 3.960 -0.000 0.000 0.279 464 G HA3 0.604 4.564 3.960 -0.000 0.000 0.279 464 G C -0.086 174.815 174.900 0.000 0.000 1.189 464 G CA 0.573 45.673 45.100 0.001 0.000 0.941 464 G HN 1.117 nan 8.290 nan 0.000 0.445 465 L N 0.000 121.224 121.223 0.001 0.000 2.949 465 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 465 L CA 0.000 54.840 54.840 0.001 0.000 0.813 465 L CB 0.000 42.059 42.059 0.001 0.000 0.961 465 L HN 0.000 nan 8.230 nan 0.000 0.502