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 2aet_1_A DATA FIRST_RESID 3 DATA SEQUENCE NFPTEYFLNT TVRLLEYIRY RDSNYTREER IENLHYAYNK AAHHFAQPRQ DATA SEQUENCE QQLLKVDPKR LQASLQTIVG MVVYSWAKVS KECMADLSIH YTYTLVLDDS DATA SEQUENCE KDDPYPTMVN YFDDLQAGRE QAHPWWALVN EHFPNVLRHF GPFCSLNLIR DATA SEQUENCE STLDFFEGCW IEQYNFGGFP GSHDYPQFLR RMNGLGHCVG ASLWPKEQFN DATA SEQUENCE ERSLFLEITS AIAQMENWMV WVNDLMSFYK EFDDERDQIS LVKNYVVSDE DATA SEQUENCE ISLHEALEKL TQDTLHSSKQ MVAVFSDKDP QVMDTIECFM HGYVTWHLCD DATA SEQUENCE RKYRLSEIYE KVKEEKTEDA QKFCKFYEQA ANVGAVSPSE WAYPPVAQLA DATA SEQUENCE NV 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.658 175.510 0.247 0.000 1.280 3 N CA 0.000 53.206 53.050 0.260 0.000 0.885 3 N CB 0.000 38.572 38.487 0.141 0.000 1.341 4 F N 3.375 123.267 119.950 -0.096 0.000 2.543 4 F HA 0.319 4.847 4.527 0.001 0.000 0.375 4 F C -1.359 174.325 175.800 -0.193 0.000 1.075 4 F CA -1.271 56.415 58.000 -0.524 0.000 1.225 4 F CB 0.707 39.392 39.000 -0.525 0.000 1.099 4 F HN 0.311 nan 8.300 nan 0.000 0.561 5 P HA 0.041 nan 4.420 nan 0.000 0.235 5 P C 0.738 177.784 177.300 -0.422 0.000 1.720 5 P CA 0.378 63.238 63.100 -0.400 0.000 1.003 5 P CB -0.372 31.230 31.700 -0.163 0.000 1.968 6 T N 0.111 114.552 114.554 -0.189 0.000 2.653 6 T HA -0.258 4.092 4.350 0.001 0.000 0.268 6 T C 1.612 176.352 174.700 0.067 0.000 1.035 6 T CA 2.029 64.174 62.100 0.074 0.000 1.154 6 T CB -0.327 68.625 68.868 0.140 0.000 0.862 6 T HN 0.523 nan 8.240 nan 0.000 0.441 7 E N 0.294 120.522 120.200 0.047 0.000 2.046 7 E HA -0.152 4.198 4.350 0.001 0.000 0.190 7 E C 2.165 178.831 176.600 0.109 0.000 0.982 7 E CA 0.795 57.230 56.400 0.058 0.000 0.800 7 E CB -0.680 29.047 29.700 0.046 0.000 0.756 7 E HN 0.455 nan 8.360 nan 0.000 0.449 8 Y N 1.269 121.546 120.300 -0.039 0.000 2.151 8 Y HA -0.266 4.284 4.550 0.001 0.000 0.284 8 Y C 1.937 177.807 175.900 -0.050 0.000 1.166 8 Y CA 1.328 59.404 58.100 -0.040 0.000 1.163 8 Y CB -0.773 37.671 38.460 -0.027 0.000 0.974 8 Y HN 0.163 nan 8.280 nan 0.000 0.511 9 F N -0.026 119.774 119.950 -0.251 0.000 2.075 9 F HA -0.236 4.292 4.527 0.001 0.000 0.297 9 F C 2.216 177.883 175.800 -0.221 0.000 1.113 9 F CA 1.849 59.658 58.000 -0.318 0.000 1.218 9 F CB -0.789 38.106 39.000 -0.175 0.000 0.984 9 F HN 0.049 nan 8.300 nan 0.000 0.472 10 L N 0.317 121.466 121.223 -0.124 0.000 2.013 10 L HA -0.323 4.018 4.340 0.001 0.000 0.212 10 L C 2.337 179.114 176.870 -0.155 0.000 1.073 10 L CA 2.012 56.712 54.840 -0.233 0.000 0.753 10 L CB -1.006 40.977 42.059 -0.127 0.000 0.890 10 L HN 0.296 nan 8.230 nan 0.000 0.432 11 N N -0.600 118.059 118.700 -0.068 0.000 2.069 11 N HA -0.189 4.551 4.740 0.001 0.000 0.191 11 N C 1.649 177.113 175.510 -0.076 0.000 1.031 11 N CA 2.260 55.305 53.050 -0.007 0.000 0.852 11 N CB -0.151 38.380 38.487 0.073 0.000 1.018 11 N HN 0.173 nan 8.380 nan 0.000 0.423 12 T N -1.082 113.344 114.554 -0.213 0.000 2.746 12 T HA -0.091 4.260 4.350 0.001 0.000 0.267 12 T C 1.739 176.244 174.700 -0.325 0.000 1.039 12 T CA 1.787 63.708 62.100 -0.298 0.000 1.142 12 T CB -0.758 67.817 68.868 -0.487 0.000 0.866 12 T HN 0.334 nan 8.240 nan 0.000 0.444 13 T N 1.937 116.226 114.554 -0.442 0.000 2.746 13 T HA -0.069 4.282 4.350 0.001 0.000 0.267 13 T C 2.204 176.818 174.700 -0.144 0.000 1.039 13 T CA 0.917 62.800 62.100 -0.360 0.000 1.142 13 T CB -0.516 68.103 68.868 -0.415 0.000 0.866 13 T HN 0.166 nan 8.240 nan 0.000 0.444 14 V N 1.355 121.268 119.914 -0.001 0.000 2.358 14 V HA -0.166 3.955 4.120 0.001 0.000 0.246 14 V C 2.590 178.760 176.094 0.128 0.000 1.047 14 V CA 1.576 63.972 62.300 0.160 0.000 1.035 14 V CB -0.583 31.412 31.823 0.286 0.000 0.658 14 V HN 0.359 nan 8.190 nan 0.000 0.452 15 R N -0.275 120.272 120.500 0.079 0.000 2.082 15 R HA -0.188 4.152 4.340 0.001 0.000 0.234 15 R C 2.313 178.672 176.300 0.099 0.000 1.136 15 R CA 1.928 58.114 56.100 0.144 0.000 0.935 15 R CB -0.864 29.452 30.300 0.025 0.000 0.842 15 R HN 0.420 nan 8.270 nan 0.000 0.430 16 L N 1.275 122.428 121.223 -0.118 0.000 2.051 16 L HA -0.224 4.117 4.340 0.001 0.000 0.214 16 L C 1.919 178.823 176.870 0.056 0.000 1.076 16 L CA 1.799 56.582 54.840 -0.095 0.000 0.758 16 L CB -0.415 41.558 42.059 -0.142 0.000 0.890 16 L HN 0.210 nan 8.230 nan 0.000 0.433 17 L N -0.880 120.291 121.223 -0.087 0.000 2.093 17 L HA -0.183 4.157 4.340 0.001 0.000 0.208 17 L C 2.570 179.474 176.870 0.057 0.000 1.085 17 L CA 1.576 56.276 54.840 -0.233 0.000 0.755 17 L CB -0.542 40.902 42.059 -1.024 0.000 0.904 17 L HN 0.400 nan 8.230 nan 0.000 0.435 18 E N -0.883 119.452 120.200 0.225 0.000 2.046 18 E HA -0.209 4.141 4.350 0.001 0.000 0.190 18 E C 2.136 178.927 176.600 0.318 0.000 0.982 18 E CA 1.115 57.716 56.400 0.336 0.000 0.800 18 E CB -0.165 29.737 29.700 0.335 0.000 0.756 18 E HN 0.358 nan 8.360 nan 0.000 0.449 19 Y N 1.258 121.641 120.300 0.139 0.000 2.081 19 Y HA -0.214 4.337 4.550 0.001 0.000 0.280 19 Y C 2.369 178.360 175.900 0.152 0.000 1.163 19 Y CA 1.492 59.675 58.100 0.138 0.000 1.135 19 Y CB -0.631 37.917 38.460 0.146 0.000 0.970 19 Y HN 0.145 nan 8.280 nan 0.000 0.498 20 I N -1.667 119.121 120.570 0.364 0.000 3.334 20 I HA 0.019 4.190 4.170 0.001 0.000 0.282 20 I C 0.285 176.612 176.117 0.350 0.000 1.313 20 I CA 0.525 61.993 61.300 0.281 0.000 1.396 20 I CB -0.506 37.675 38.000 0.301 0.000 1.054 20 I HN 0.124 nan 8.210 nan 0.000 0.495 21 R N -0.152 120.541 120.500 0.321 0.000 3.332 21 R HA -0.247 4.093 4.340 0.001 0.000 0.263 21 R C -0.507 175.964 176.300 0.285 0.000 1.053 21 R CA 0.310 56.587 56.100 0.294 0.000 0.705 21 R CB -2.799 27.651 30.300 0.249 0.000 1.166 21 R HN 0.562 nan 8.270 nan 0.000 0.427 22 Y N 2.444 122.801 120.300 0.094 0.000 2.729 22 Y HA -0.028 4.522 4.550 0.001 0.000 0.331 22 Y C 1.120 176.947 175.900 -0.123 0.000 1.208 22 Y CA 0.957 58.929 58.100 -0.212 0.000 1.521 22 Y CB 0.243 38.572 38.460 -0.218 0.000 1.233 22 Y HN 0.346 nan 8.280 nan 0.000 0.539 23 R N 2.607 122.549 120.500 -0.930 0.000 3.317 23 R HA 0.496 4.836 4.340 0.001 0.000 0.259 23 R C -1.440 174.525 176.300 -0.559 0.000 1.143 23 R CA -1.076 54.718 56.100 -0.510 0.000 0.969 23 R CB 0.833 31.003 30.300 -0.216 0.000 1.465 23 R HN 0.366 nan 8.270 nan 0.000 0.430 24 D N 1.143 121.378 120.400 -0.275 0.000 2.225 24 D HA 0.323 4.963 4.640 0.001 0.000 0.249 24 D C -0.387 175.846 176.300 -0.112 0.000 1.052 24 D CA -0.205 53.683 54.000 -0.187 0.000 0.909 24 D CB 1.861 42.598 40.800 -0.105 0.000 1.186 24 D HN 0.565 nan 8.370 nan 0.000 0.431 25 S N 0.628 116.290 115.700 -0.064 0.000 2.726 25 S HA 0.335 4.805 4.470 0.001 0.000 0.308 25 S C 0.389 175.005 174.600 0.027 0.000 1.115 25 S CA -0.877 57.329 58.200 0.009 0.000 0.965 25 S CB 1.309 64.552 63.200 0.071 0.000 1.145 25 S HN 0.248 nan 8.310 nan 0.000 0.532 26 N N 0.258 118.979 118.700 0.035 0.000 2.362 26 N HA 0.098 4.839 4.740 0.001 0.000 0.211 26 N C -1.229 174.319 175.510 0.064 0.000 1.170 26 N CA 0.144 53.211 53.050 0.027 0.000 0.828 26 N CB -0.325 38.162 38.487 -0.000 0.000 1.034 26 N HN 0.585 nan 8.380 nan 0.000 0.475 27 Y N 2.574 122.845 120.300 -0.048 0.000 2.595 27 Y HA 0.084 4.634 4.550 0.001 0.000 0.347 27 Y C 0.645 176.503 175.900 -0.071 0.000 1.025 27 Y CA -1.409 56.655 58.100 -0.060 0.000 1.295 27 Y CB -0.451 37.957 38.460 -0.087 0.000 1.147 27 Y HN -0.077 nan 8.280 nan 0.000 0.515 28 T N 1.618 116.302 114.554 0.216 0.000 2.907 28 T HA 0.185 4.536 4.350 0.001 0.000 0.298 28 T C 1.447 176.169 174.700 0.037 0.000 1.017 28 T CA -0.666 61.486 62.100 0.087 0.000 1.118 28 T CB 1.102 70.010 68.868 0.067 0.000 0.948 28 T HN 0.780 nan 8.240 nan 0.000 0.531 29 R N 0.968 121.456 120.500 -0.021 0.000 2.154 29 R HA -0.176 4.165 4.340 0.001 0.000 0.248 29 R C 1.786 178.085 176.300 -0.001 0.000 1.155 29 R CA 1.935 58.007 56.100 -0.048 0.000 0.979 29 R CB -0.202 30.085 30.300 -0.023 0.000 0.869 29 R HN 0.789 nan 8.270 nan 0.000 0.452 30 E N -0.010 120.209 120.200 0.033 0.000 2.152 30 E HA -0.141 4.209 4.350 0.001 0.000 0.192 30 E C 1.635 178.282 176.600 0.079 0.000 0.983 30 E CA 1.299 57.732 56.400 0.055 0.000 0.818 30 E CB 0.091 29.822 29.700 0.052 0.000 0.758 30 E HN 0.474 nan 8.360 nan 0.000 0.467 31 E N 0.116 120.380 120.200 0.107 0.000 2.112 31 E HA -0.040 4.311 4.350 0.001 0.000 0.190 31 E C 2.090 178.805 176.600 0.192 0.000 0.979 31 E CA 0.393 56.896 56.400 0.172 0.000 0.814 31 E CB -0.006 29.846 29.700 0.254 0.000 0.762 31 E HN 0.103 nan 8.360 nan 0.000 0.460 32 R N 0.660 121.197 120.500 0.062 0.000 2.083 32 R HA -0.126 4.215 4.340 0.001 0.000 0.237 32 R C 2.389 178.679 176.300 -0.016 0.000 1.137 32 R CA 1.291 57.328 56.100 -0.105 0.000 0.951 32 R CB -0.323 29.772 30.300 -0.342 0.000 0.851 32 R HN 0.207 nan 8.270 nan 0.000 0.434 33 I N 0.650 121.229 120.570 0.015 0.000 2.361 33 I HA -0.239 3.932 4.170 0.001 0.000 0.251 33 I C 1.998 178.210 176.117 0.158 0.000 1.133 33 I CA 1.295 62.637 61.300 0.071 0.000 1.413 33 I CB -0.314 37.758 38.000 0.120 0.000 1.073 33 I HN 0.277 nan 8.210 nan 0.000 0.424 34 E N 0.867 121.158 120.200 0.151 0.000 2.047 34 E HA -0.179 4.172 4.350 0.001 0.000 0.191 34 E C 1.875 178.613 176.600 0.230 0.000 0.987 34 E CA 1.073 57.585 56.400 0.188 0.000 0.799 34 E CB -0.067 29.713 29.700 0.134 0.000 0.752 34 E HN 0.513 nan 8.360 nan 0.000 0.449 35 N N 0.951 119.766 118.700 0.191 0.000 2.135 35 N HA -0.094 4.646 4.740 0.001 0.000 0.186 35 N C 2.108 177.735 175.510 0.195 0.000 1.027 35 N CA 0.669 53.847 53.050 0.212 0.000 0.849 35 N CB -0.377 38.240 38.487 0.217 0.000 1.002 35 N HN 0.110 nan 8.380 nan 0.000 0.425 36 L N 0.422 121.677 121.223 0.053 0.000 1.997 36 L HA -0.261 4.080 4.340 0.001 0.000 0.216 36 L C 2.466 179.509 176.870 0.289 0.000 1.074 36 L CA 1.691 56.446 54.840 -0.141 0.000 0.763 36 L CB -0.575 41.004 42.059 -0.801 0.000 0.890 36 L HN 0.293 nan 8.230 nan 0.000 0.434 37 H N -1.667 117.585 119.070 0.303 0.000 2.423 37 H HA -0.231 4.326 4.556 0.001 0.000 0.297 37 H C 2.006 177.497 175.328 0.273 0.000 1.075 37 H CA 1.628 57.871 56.048 0.326 0.000 1.342 37 H CB -0.054 29.845 29.762 0.227 0.000 1.395 37 H HN 0.329 nan 8.280 nan 0.000 0.530 38 Y N 0.307 120.671 120.300 0.106 0.000 2.163 38 Y HA -0.098 4.453 4.550 0.001 0.000 0.288 38 Y C 2.583 178.492 175.900 0.014 0.000 1.136 38 Y CA 1.675 59.795 58.100 0.032 0.000 1.147 38 Y CB -0.849 37.661 38.460 0.085 0.000 0.987 38 Y HN 0.305 nan 8.280 nan 0.000 0.509 39 A N -0.393 122.496 122.820 0.116 0.000 1.845 39 A HA -0.284 4.037 4.320 0.001 0.000 0.215 39 A C 2.190 179.769 177.584 -0.008 0.000 1.195 39 A CA 1.838 53.897 52.037 0.037 0.000 0.616 39 A CB -1.793 17.276 19.000 0.115 0.000 0.832 39 A HN 0.705 nan 8.150 nan 0.000 0.443 40 Y N 1.244 121.564 120.300 0.034 0.000 2.193 40 Y HA -0.306 4.245 4.550 0.001 0.000 0.285 40 Y C 2.222 178.057 175.900 -0.108 0.000 1.166 40 Y CA 2.324 60.451 58.100 0.045 0.000 1.181 40 Y CB -0.414 38.165 38.460 0.198 0.000 0.976 40 Y HN 0.504 nan 8.280 nan 0.000 0.520 41 N N 0.157 118.756 118.700 -0.167 0.000 2.244 41 N HA -0.191 4.550 4.740 0.001 0.000 0.183 41 N C 1.906 177.309 175.510 -0.177 0.000 1.016 41 N CA 1.429 54.343 53.050 -0.226 0.000 0.866 41 N CB -0.275 37.969 38.487 -0.404 0.000 0.980 41 N HN 0.362 nan 8.380 nan 0.000 0.430 42 K N -0.514 119.699 120.400 -0.312 0.000 2.116 42 K HA 0.079 4.400 4.320 0.001 0.000 0.203 42 K C 1.825 178.316 176.600 -0.181 0.000 1.052 42 K CA 0.843 56.968 56.287 -0.270 0.000 0.952 42 K CB -0.128 32.160 32.500 -0.353 0.000 0.729 42 K HN 0.242 nan 8.250 nan 0.000 0.446 43 A N 1.286 123.971 122.820 -0.225 0.000 1.855 43 A HA -0.075 4.246 4.320 0.001 0.000 0.215 43 A C 2.329 179.826 177.584 -0.146 0.000 1.191 43 A CA 1.777 53.691 52.037 -0.205 0.000 0.613 43 A CB -0.824 18.100 19.000 -0.127 0.000 0.829 43 A HN 0.418 nan 8.150 nan 0.000 0.442 44 A N -0.815 121.804 122.820 -0.336 0.000 1.908 44 A HA -0.220 4.100 4.320 0.001 0.000 0.218 44 A C 1.954 179.432 177.584 -0.178 0.000 1.181 44 A CA 2.104 53.938 52.037 -0.340 0.000 0.627 44 A CB -0.955 17.647 19.000 -0.664 0.000 0.818 44 A HN 0.688 nan 8.150 nan 0.000 0.445 45 H N -2.098 116.869 119.070 -0.172 0.000 2.423 45 H HA -0.115 4.442 4.556 0.001 0.000 0.297 45 H C 2.043 177.308 175.328 -0.105 0.000 1.075 45 H CA 1.658 57.640 56.048 -0.111 0.000 1.342 45 H CB -0.136 29.565 29.762 -0.102 0.000 1.395 45 H HN 0.742 nan 8.280 nan 0.000 0.530 46 H N -0.283 118.702 119.070 -0.142 0.000 2.284 46 H HA -0.122 4.434 4.556 0.001 0.000 0.304 46 H C 1.359 176.498 175.328 -0.316 0.000 1.069 46 H CA 1.413 57.288 56.048 -0.289 0.000 1.327 46 H CB -0.291 29.154 29.762 -0.527 0.000 1.387 46 H HN 0.291 nan 8.280 nan 0.000 0.498 47 F N 1.049 120.901 119.950 -0.164 0.000 2.408 47 F HA -0.006 4.522 4.527 0.001 0.000 0.300 47 F C 2.668 178.352 175.800 -0.192 0.000 1.090 47 F CA 0.888 58.752 58.000 -0.226 0.000 1.427 47 F CB -0.445 38.438 39.000 -0.195 0.000 1.070 47 F HN 0.262 nan 8.300 nan 0.000 0.549 48 A N -0.938 121.859 122.820 -0.037 0.000 2.218 48 A HA 0.033 4.353 4.320 0.001 0.000 0.209 48 A C 1.157 178.699 177.584 -0.071 0.000 1.168 48 A CA -0.149 51.852 52.037 -0.060 0.000 0.804 48 A CB -0.481 18.453 19.000 -0.110 0.000 0.834 48 A HN 0.301 nan 8.150 nan 0.000 0.482 49 Q N -0.041 119.691 119.800 -0.113 0.000 2.474 49 Q HA 0.115 4.456 4.340 0.001 0.000 0.256 49 Q C -1.655 174.303 176.000 -0.070 0.000 1.048 49 Q CA -1.480 54.265 55.803 -0.096 0.000 0.922 49 Q CB 0.199 28.849 28.738 -0.147 0.000 1.288 49 Q HN 0.134 nan 8.270 nan 0.000 0.484 50 P HA -0.235 nan 4.420 nan 0.000 0.212 50 P C 0.989 178.275 177.300 -0.024 0.000 1.180 50 P CA 1.452 64.536 63.100 -0.027 0.000 0.906 50 P CB 0.011 31.700 31.700 -0.018 0.000 0.782 51 R N 0.170 120.653 120.500 -0.027 0.000 2.119 51 R HA -0.237 4.104 4.340 0.001 0.000 0.246 51 R C 2.076 178.371 176.300 -0.009 0.000 1.146 51 R CA 1.871 57.962 56.100 -0.015 0.000 0.962 51 R CB -1.115 29.175 30.300 -0.016 0.000 0.863 51 R HN 0.143 nan 8.270 nan 0.000 0.442 52 Q N 0.502 120.276 119.800 -0.044 0.000 2.050 52 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 52 Q C 2.189 178.217 176.000 0.045 0.000 0.980 52 Q CA 1.337 57.134 55.803 -0.010 0.000 0.840 52 Q CB -0.406 28.250 28.738 -0.138 0.000 0.898 52 Q HN 0.524 nan 8.270 nan 0.000 0.424 53 Q N 0.645 120.453 119.800 0.012 0.000 2.234 53 Q HA -0.185 4.156 4.340 0.001 0.000 0.206 53 Q C 1.963 177.978 176.000 0.024 0.000 0.980 53 Q CA 1.673 57.487 55.803 0.018 0.000 0.869 53 Q CB -0.014 28.722 28.738 -0.003 0.000 0.912 53 Q HN 0.709 nan 8.270 nan 0.000 0.436 54 Q N -1.238 118.576 119.800 0.023 0.000 2.396 54 Q HA 0.081 4.421 4.340 0.001 0.000 0.209 54 Q C 1.569 177.593 176.000 0.040 0.000 0.906 54 Q CA 0.186 56.004 55.803 0.025 0.000 0.927 54 Q CB 0.282 29.029 28.738 0.015 0.000 1.069 54 Q HN 0.267 nan 8.270 nan 0.000 0.523 55 L N 0.098 121.356 121.223 0.059 0.000 2.515 55 L HA 0.269 4.609 4.340 0.001 0.000 0.223 55 L C 0.328 177.270 176.870 0.119 0.000 1.079 55 L CA -0.179 54.709 54.840 0.079 0.000 0.857 55 L CB 0.517 42.623 42.059 0.079 0.000 1.050 55 L HN 0.200 nan 8.230 nan 0.000 0.476 56 L N 2.141 123.445 121.223 0.135 0.000 2.315 56 L HA 0.248 4.589 4.340 0.001 0.000 0.278 56 L C -0.029 176.907 176.870 0.111 0.000 1.088 56 L CA -0.209 54.738 54.840 0.179 0.000 0.899 56 L CB 0.073 42.277 42.059 0.241 0.000 1.277 56 L HN -0.147 nan 8.230 nan 0.000 0.431 57 K N 4.311 124.770 120.400 0.099 0.000 2.294 57 K HA 0.412 4.733 4.320 0.001 0.000 0.288 57 K C -0.889 175.734 176.600 0.039 0.000 1.072 57 K CA 0.011 56.330 56.287 0.053 0.000 0.960 57 K CB 0.640 33.163 32.500 0.038 0.000 1.043 57 K HN 0.341 nan 8.250 nan 0.000 0.455 58 V N 1.288 121.209 119.914 0.012 0.000 3.048 58 V HA 0.069 4.189 4.120 0.001 0.000 0.303 58 V C -0.607 175.472 176.094 -0.026 0.000 1.214 58 V CA -1.355 60.937 62.300 -0.012 0.000 0.984 58 V CB 2.584 34.385 31.823 -0.038 0.000 1.054 58 V HN 0.634 nan 8.190 nan 0.000 0.430 59 D N 3.923 124.304 120.400 -0.032 0.000 2.390 59 D HA 0.280 4.921 4.640 0.001 0.000 0.249 59 D C -1.578 174.695 176.300 -0.044 0.000 1.144 59 D CA -1.131 52.849 54.000 -0.033 0.000 0.880 59 D CB 1.912 42.692 40.800 -0.033 0.000 1.182 59 D HN 0.207 nan 8.370 nan 0.000 0.451 60 P HA -0.206 nan 4.420 nan 0.000 0.216 60 P C 0.774 178.046 177.300 -0.047 0.000 1.157 60 P CA 1.688 64.762 63.100 -0.044 0.000 0.880 60 P CB 0.159 31.839 31.700 -0.033 0.000 0.791 61 K N -0.712 119.663 120.400 -0.041 0.000 2.148 61 K HA -0.078 4.243 4.320 0.001 0.000 0.204 61 K C 2.192 178.764 176.600 -0.046 0.000 1.050 61 K CA 1.119 57.382 56.287 -0.040 0.000 0.942 61 K CB -0.182 32.296 32.500 -0.036 0.000 0.724 61 K HN 0.126 nan 8.250 nan 0.000 0.446 62 R N 0.300 120.769 120.500 -0.051 0.000 2.119 62 R HA -0.042 4.299 4.340 0.001 0.000 0.222 62 R C 2.256 178.512 176.300 -0.073 0.000 1.088 62 R CA 0.506 56.574 56.100 -0.055 0.000 0.984 62 R CB -0.271 29.999 30.300 -0.049 0.000 0.884 62 R HN 0.082 nan 8.270 nan 0.000 0.447 63 L N 1.459 122.624 121.223 -0.096 0.000 2.017 63 L HA -0.186 4.155 4.340 0.001 0.000 0.208 63 L C 2.434 179.220 176.870 -0.139 0.000 1.073 63 L CA 1.862 56.605 54.840 -0.163 0.000 0.745 63 L CB -0.535 41.409 42.059 -0.190 0.000 0.894 63 L HN 0.018 nan 8.230 nan 0.000 0.432 64 Q N -0.120 119.632 119.800 -0.080 0.000 2.061 64 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 64 Q C 2.132 178.127 176.000 -0.008 0.000 0.984 64 Q CA 2.439 58.227 55.803 -0.026 0.000 0.846 64 Q CB -0.557 28.172 28.738 -0.015 0.000 0.902 64 Q HN 0.612 nan 8.270 nan 0.000 0.421 65 A N -0.755 122.049 122.820 -0.027 0.000 1.873 65 A HA -0.139 4.181 4.320 0.001 0.000 0.215 65 A C 2.370 179.960 177.584 0.010 0.000 1.186 65 A CA 1.720 53.750 52.037 -0.013 0.000 0.616 65 A CB -0.906 18.075 19.000 -0.031 0.000 0.823 65 A HN 0.413 nan 8.150 nan 0.000 0.442 66 S N -0.601 115.087 115.700 -0.021 0.000 2.359 66 S HA -0.156 4.315 4.470 0.001 0.000 0.224 66 S C 1.902 176.509 174.600 0.012 0.000 1.035 66 S CA 1.540 59.733 58.200 -0.011 0.000 1.018 66 S CB -0.450 62.711 63.200 -0.064 0.000 0.876 66 S HN 0.485 nan 8.310 nan 0.000 0.448 67 L N 1.882 123.085 121.223 -0.034 0.000 2.012 67 L HA -0.158 4.182 4.340 0.001 0.000 0.210 67 L C 2.252 179.228 176.870 0.177 0.000 1.073 67 L CA 1.848 56.696 54.840 0.014 0.000 0.748 67 L CB -0.827 41.210 42.059 -0.037 0.000 0.891 67 L HN 0.321 nan 8.230 nan 0.000 0.431 68 Q N -1.636 118.288 119.800 0.206 0.000 2.124 68 Q HA -0.190 4.151 4.340 0.001 0.000 0.202 68 Q C 2.081 178.300 176.000 0.365 0.000 0.977 68 Q CA 2.030 58.021 55.803 0.314 0.000 0.850 68 Q CB -0.257 28.547 28.738 0.111 0.000 0.901 68 Q HN 0.526 nan 8.270 nan 0.000 0.429 69 T N 1.010 115.722 114.554 0.263 0.000 2.737 69 T HA -0.095 4.256 4.350 0.001 0.000 0.265 69 T C 1.776 176.692 174.700 0.360 0.000 1.038 69 T CA 0.757 63.082 62.100 0.375 0.000 1.144 69 T CB -0.010 69.036 68.868 0.296 0.000 0.866 69 T HN 0.135 nan 8.240 nan 0.000 0.434 70 I N 1.032 121.705 120.570 0.173 0.000 2.202 70 I HA -0.087 4.083 4.170 0.001 0.000 0.242 70 I C 2.551 178.615 176.117 -0.087 0.000 1.091 70 I CA 1.068 62.369 61.300 0.001 0.000 1.368 70 I CB -1.323 36.696 38.000 0.031 0.000 1.058 70 I HN 0.115 nan 8.210 nan 0.000 0.410 71 V N 1.354 121.299 119.914 0.052 0.000 2.392 71 V HA -0.222 3.898 4.120 0.001 0.000 0.249 71 V C 2.680 178.691 176.094 -0.139 0.000 1.059 71 V CA 2.006 64.328 62.300 0.036 0.000 1.051 71 V CB -1.445 30.538 31.823 0.268 0.000 0.658 71 V HN 0.526 nan 8.190 nan 0.000 0.455 72 G N -0.880 107.840 108.800 -0.134 0.000 2.446 72 G HA2 -0.343 3.617 3.960 0.001 0.000 0.217 72 G HA3 -0.343 3.617 3.960 0.001 0.000 0.217 72 G C 1.637 176.067 174.900 -0.783 0.000 1.168 72 G CA 1.219 46.080 45.100 -0.398 0.000 0.771 72 G HN 0.459 nan 8.290 nan 0.000 0.551 73 M N 0.252 119.122 119.600 -1.216 0.000 2.132 73 M HA -0.045 4.436 4.480 0.001 0.000 0.263 73 M C 2.512 178.572 176.300 -0.399 0.000 1.065 73 M CA 1.330 55.687 55.300 -1.572 0.000 1.122 73 M CB -0.152 31.155 32.600 -2.155 0.000 1.365 73 M HN 0.110 nan 8.290 nan 0.000 0.411 74 V N 0.243 120.001 119.914 -0.260 0.000 2.216 74 V HA -0.266 3.855 4.120 0.001 0.000 0.243 74 V C 2.451 178.688 176.094 0.239 0.000 1.044 74 V CA 1.956 64.247 62.300 -0.015 0.000 0.995 74 V CB -0.892 30.782 31.823 -0.249 0.000 0.633 74 V HN 0.422 nan 8.190 nan 0.000 0.446 75 V N -0.997 118.988 119.914 0.118 0.000 2.313 75 V HA -0.327 3.793 4.120 0.001 0.000 0.253 75 V C 2.247 178.587 176.094 0.409 0.000 1.070 75 V CA 2.241 64.686 62.300 0.242 0.000 1.057 75 V CB -0.907 31.000 31.823 0.139 0.000 0.653 75 V HN 0.567 nan 8.190 nan 0.000 0.450 76 Y N -0.010 120.316 120.300 0.043 0.000 2.561 76 Y HA 0.012 4.563 4.550 0.001 0.000 0.291 76 Y C 2.484 178.479 175.900 0.159 0.000 1.141 76 Y CA 0.790 58.916 58.100 0.044 0.000 1.303 76 Y CB -0.128 38.327 38.460 -0.009 0.000 1.015 76 Y HN 0.271 nan 8.280 nan 0.000 0.547 77 S N -3.172 112.769 115.700 0.402 0.000 2.613 77 S HA 0.038 4.509 4.470 0.001 0.000 0.235 77 S C 0.698 175.463 174.600 0.276 0.000 1.073 77 S CA -0.362 57.998 58.200 0.267 0.000 0.899 77 S CB 0.151 63.428 63.200 0.128 0.000 0.818 77 S HN 0.407 nan 8.310 nan 0.000 0.484 78 W N 2.862 124.284 121.300 0.204 0.000 2.708 78 W HA 0.462 5.123 4.660 0.001 0.000 0.440 78 W C 1.536 178.121 176.519 0.110 0.000 0.688 78 W CA -0.428 56.991 57.345 0.123 0.000 2.213 78 W CB -0.417 29.097 29.460 0.091 0.000 1.209 78 W HN 0.363 nan 8.180 nan 0.000 0.783 79 A N 0.981 123.966 122.820 0.274 0.000 1.958 79 A HA -0.254 4.067 4.320 0.001 0.000 0.221 79 A C 2.091 179.667 177.584 -0.013 0.000 1.178 79 A CA 1.532 53.663 52.037 0.156 0.000 0.642 79 A CB -0.100 18.971 19.000 0.118 0.000 0.816 79 A HN 0.098 nan 8.150 nan 0.000 0.453 80 K N -0.204 120.212 120.400 0.027 0.000 2.400 80 K HA 0.121 4.442 4.320 0.001 0.000 0.194 80 K C 0.957 177.598 176.600 0.069 0.000 1.033 80 K CA 0.690 56.988 56.287 0.018 0.000 1.021 80 K CB -1.021 31.510 32.500 0.051 0.000 0.808 80 K HN 0.570 nan 8.250 nan 0.000 0.505 81 V N -0.135 119.855 119.914 0.127 0.000 3.385 81 V HA 0.266 4.386 4.120 0.001 0.000 0.301 81 V C 0.858 177.006 176.094 0.090 0.000 1.082 81 V CA -0.976 61.406 62.300 0.136 0.000 1.085 81 V CB 1.027 32.967 31.823 0.196 0.000 1.152 81 V HN 0.235 nan 8.190 nan 0.000 0.465 82 S N 0.632 116.380 115.700 0.080 0.000 2.634 82 S HA 0.330 4.801 4.470 0.001 0.000 0.261 82 S C 0.793 175.432 174.600 0.065 0.000 1.271 82 S CA 0.003 58.231 58.200 0.046 0.000 0.985 82 S CB 0.664 63.884 63.200 0.033 0.000 0.968 82 S HN 0.758 nan 8.310 nan 0.000 0.568 83 K N 0.335 120.733 120.400 -0.003 0.000 2.026 83 K HA -0.071 4.250 4.320 0.001 0.000 0.208 83 K C 2.222 178.967 176.600 0.240 0.000 1.048 83 K CA 1.420 57.709 56.287 0.004 0.000 0.929 83 K CB -0.200 31.990 32.500 -0.517 0.000 0.713 83 K HN 0.555 nan 8.250 nan 0.000 0.439 84 E N 0.536 120.874 120.200 0.230 0.000 2.085 84 E HA -0.220 4.130 4.350 0.001 0.000 0.194 84 E C 2.148 178.901 176.600 0.255 0.000 0.994 84 E CA 0.838 57.438 56.400 0.333 0.000 0.801 84 E CB -0.516 29.353 29.700 0.281 0.000 0.743 84 E HN 0.306 nan 8.360 nan 0.000 0.453 85 C N 0.482 119.909 119.300 0.212 0.000 2.425 85 C HA -0.087 4.373 4.460 0.001 0.000 0.277 85 C C 2.745 177.673 174.990 -0.104 0.000 1.280 85 C CA 0.681 59.635 59.018 -0.108 0.000 1.744 85 C CB -0.908 26.863 27.740 0.052 0.000 1.989 85 C HN 0.394 nan 8.230 nan 0.000 0.491 86 M N 0.788 120.405 119.600 0.028 0.000 2.132 86 M HA -0.046 4.435 4.480 0.001 0.000 0.263 86 M C 2.553 178.851 176.300 -0.004 0.000 1.065 86 M CA 1.893 57.202 55.300 0.015 0.000 1.122 86 M CB -0.646 32.024 32.600 0.117 0.000 1.365 86 M HN 0.465 nan 8.290 nan 0.000 0.411 87 A N 0.922 123.779 122.820 0.061 0.000 1.851 87 A HA -0.204 4.117 4.320 0.001 0.000 0.216 87 A C 1.792 179.338 177.584 -0.064 0.000 1.195 87 A CA 2.151 54.186 52.037 -0.002 0.000 0.622 87 A CB -0.870 18.127 19.000 -0.006 0.000 0.831 87 A HN 0.410 nan 8.150 nan 0.000 0.444 88 D N -0.091 120.270 120.400 -0.067 0.000 2.178 88 D HA -0.088 4.552 4.640 0.001 0.000 0.201 88 D C 1.862 178.112 176.300 -0.084 0.000 0.980 88 D CA 0.919 54.878 54.000 -0.069 0.000 0.842 88 D CB -0.280 40.437 40.800 -0.137 0.000 0.948 88 D HN 0.464 nan 8.370 nan 0.000 0.472 89 L N 0.328 121.464 121.223 -0.145 0.000 2.240 89 L HA -0.050 4.291 4.340 0.001 0.000 0.211 89 L C 2.398 179.246 176.870 -0.037 0.000 1.106 89 L CA 0.405 55.155 54.840 -0.151 0.000 0.793 89 L CB -0.092 41.802 42.059 -0.274 0.000 0.927 89 L HN -0.097 nan 8.230 nan 0.000 0.446 90 S N 0.165 115.831 115.700 -0.058 0.000 2.383 90 S HA -0.076 4.394 4.470 0.001 0.000 0.227 90 S C 1.949 176.544 174.600 -0.007 0.000 1.026 90 S CA 1.068 59.259 58.200 -0.016 0.000 0.981 90 S CB -0.092 63.095 63.200 -0.020 0.000 0.818 90 S HN 0.281 nan 8.310 nan 0.000 0.472 91 I N 0.441 120.949 120.570 -0.104 0.000 2.202 91 I HA -0.192 3.978 4.170 0.001 0.000 0.242 91 I C 2.420 178.460 176.117 -0.128 0.000 1.091 91 I CA 1.546 62.700 61.300 -0.243 0.000 1.368 91 I CB -0.430 37.119 38.000 -0.752 0.000 1.058 91 I HN 0.311 nan 8.210 nan 0.000 0.410 92 H N 0.205 119.161 119.070 -0.190 0.000 2.353 92 H HA -0.207 4.349 4.556 0.001 0.000 0.300 92 H C 1.841 177.024 175.328 -0.242 0.000 1.090 92 H CA 1.988 57.903 56.048 -0.221 0.000 1.327 92 H CB -0.069 29.433 29.762 -0.434 0.000 1.383 92 H HN 0.277 nan 8.280 nan 0.000 0.508 93 Y N -0.974 119.294 120.300 -0.053 0.000 2.516 93 Y HA -0.025 4.526 4.550 0.001 0.000 0.291 93 Y C 2.585 178.426 175.900 -0.098 0.000 1.131 93 Y CA 1.201 59.228 58.100 -0.122 0.000 1.281 93 Y CB -0.200 38.182 38.460 -0.131 0.000 1.013 93 Y HN 0.210 nan 8.280 nan 0.000 0.554 94 T N -1.081 113.498 114.554 0.042 0.000 2.942 94 T HA -0.132 4.219 4.350 0.001 0.000 0.265 94 T C 1.375 176.038 174.700 -0.062 0.000 1.062 94 T CA 1.045 63.113 62.100 -0.053 0.000 1.139 94 T CB -0.368 68.415 68.868 -0.142 0.000 0.883 94 T HN 0.208 nan 8.240 nan 0.000 0.468 95 Y N 2.289 122.597 120.300 0.014 0.000 2.114 95 Y HA -0.172 4.378 4.550 0.001 0.000 0.284 95 Y C 3.097 179.161 175.900 0.273 0.000 1.143 95 Y CA 1.454 59.589 58.100 0.058 0.000 1.135 95 Y CB -1.220 37.096 38.460 -0.238 0.000 0.980 95 Y HN 0.320 nan 8.280 nan 0.000 0.499 96 T N -1.564 113.139 114.554 0.248 0.000 2.788 96 T HA -0.217 4.134 4.350 0.001 0.000 0.268 96 T C 1.943 176.742 174.700 0.166 0.000 1.044 96 T CA 1.359 63.535 62.100 0.127 0.000 1.139 96 T CB -0.841 67.653 68.868 -0.623 0.000 0.867 96 T HN 0.193 nan 8.240 nan 0.000 0.454 97 L N 1.072 122.362 121.223 0.111 0.000 2.027 97 L HA 0.142 4.482 4.340 0.001 0.000 0.206 97 L C 2.678 179.628 176.870 0.132 0.000 1.074 97 L CA 1.191 56.109 54.840 0.131 0.000 0.745 97 L CB -0.913 41.196 42.059 0.084 0.000 0.898 97 L HN 0.151 nan 8.230 nan 0.000 0.433 98 V N -0.416 119.569 119.914 0.118 0.000 2.469 98 V HA -0.284 3.836 4.120 0.001 0.000 0.251 98 V C 2.549 178.710 176.094 0.111 0.000 1.064 98 V CA 1.713 64.070 62.300 0.095 0.000 1.066 98 V CB -0.461 31.410 31.823 0.079 0.000 0.667 98 V HN 0.498 nan 8.190 nan 0.000 0.461 99 L N 0.160 121.466 121.223 0.138 0.000 2.187 99 L HA -0.191 4.150 4.340 0.001 0.000 0.213 99 L C 1.991 178.777 176.870 -0.140 0.000 1.100 99 L CA 1.965 56.720 54.840 -0.142 0.000 0.765 99 L CB -0.769 40.968 42.059 -0.537 0.000 0.904 99 L HN 0.389 nan 8.230 nan 0.000 0.437 100 D N -0.579 119.803 120.400 -0.029 0.000 2.392 100 D HA -0.141 4.500 4.640 0.001 0.000 0.228 100 D C 0.912 177.181 176.300 -0.051 0.000 1.003 100 D CA 0.784 54.752 54.000 -0.053 0.000 0.917 100 D CB 0.050 40.862 40.800 0.020 0.000 0.890 100 D HN 0.468 nan 8.370 nan 0.000 0.532 101 D N -0.319 120.058 120.400 -0.038 0.000 2.349 101 D HA -0.015 4.625 4.640 0.001 0.000 0.215 101 D C 0.453 176.726 176.300 -0.045 0.000 1.016 101 D CA 0.276 54.256 54.000 -0.033 0.000 0.870 101 D CB 0.281 41.072 40.800 -0.016 0.000 0.917 101 D HN -0.111 nan 8.370 nan 0.000 0.524 102 S N 0.066 115.725 115.700 -0.069 0.000 2.499 102 S HA 0.194 4.665 4.470 0.001 0.000 0.279 102 S C 0.968 175.513 174.600 -0.093 0.000 1.219 102 S CA -0.489 57.667 58.200 -0.073 0.000 1.062 102 S CB 1.254 64.408 63.200 -0.076 0.000 0.978 102 S HN -0.069 nan 8.310 nan 0.000 0.489 103 K N 2.157 122.509 120.400 -0.080 0.000 2.308 103 K HA 0.074 4.394 4.320 0.001 0.000 0.197 103 K C -0.474 176.066 176.600 -0.100 0.000 1.049 103 K CA 0.066 56.301 56.287 -0.086 0.000 0.991 103 K CB 0.063 32.521 32.500 -0.070 0.000 0.836 103 K HN 0.656 nan 8.250 nan 0.000 0.500 104 D N 2.784 123.127 120.400 -0.094 0.000 2.586 104 D HA -0.112 4.529 4.640 0.001 0.000 0.234 104 D C -0.183 176.036 176.300 -0.134 0.000 1.132 104 D CA 0.694 54.632 54.000 -0.103 0.000 0.860 104 D CB 0.489 41.227 40.800 -0.104 0.000 1.159 104 D HN 0.128 nan 8.370 nan 0.000 0.490 105 D N 2.562 122.888 120.400 -0.123 0.000 2.450 105 D HA 0.048 4.689 4.640 0.001 0.000 0.247 105 D C -1.705 174.474 176.300 -0.201 0.000 1.162 105 D CA -1.247 52.669 54.000 -0.140 0.000 0.879 105 D CB 1.051 41.823 40.800 -0.047 0.000 1.163 105 D HN 0.052 nan 8.370 nan 0.000 0.472 106 P HA -0.045 nan 4.420 nan 0.000 0.231 106 P C 0.729 177.792 177.300 -0.395 0.000 1.168 106 P CA 0.301 63.087 63.100 -0.523 0.000 0.779 106 P CB -0.021 30.976 31.700 -1.172 0.000 0.844 107 Y N 2.408 122.489 120.300 -0.365 0.000 1.977 107 Y HA -0.253 4.298 4.550 0.001 0.000 0.264 107 Y C -0.764 175.177 175.900 0.067 0.000 1.167 107 Y CA 2.632 60.749 58.100 0.029 0.000 1.102 107 Y CB -2.005 36.576 38.460 0.202 0.000 0.948 107 Y HN 0.073 nan 8.280 nan 0.000 0.489 108 P HA -0.173 nan 4.420 nan 0.000 0.216 108 P C 1.447 178.829 177.300 0.136 0.000 1.150 108 P CA 2.973 66.228 63.100 0.259 0.000 0.843 108 P CB -0.436 31.366 31.700 0.172 0.000 0.787 109 T N -5.711 108.908 114.554 0.108 0.000 3.129 109 T HA 0.120 4.470 4.350 0.001 0.000 0.251 109 T C 1.376 176.201 174.700 0.210 0.000 1.117 109 T CA 0.502 62.691 62.100 0.148 0.000 1.034 109 T CB -0.482 68.479 68.868 0.154 0.000 0.968 109 T HN -0.107 nan 8.240 nan 0.000 0.526 110 M N 0.665 120.354 119.600 0.148 0.000 2.333 110 M HA 0.337 4.817 4.480 0.001 0.000 0.257 110 M C 1.861 178.259 176.300 0.163 0.000 1.078 110 M CA -0.082 55.340 55.300 0.204 0.000 1.005 110 M CB -0.038 32.678 32.600 0.193 0.000 1.444 110 M HN 0.153 nan 8.290 nan 0.000 0.496 111 V N 1.692 121.646 119.914 0.066 0.000 2.380 111 V HA -0.233 3.888 4.120 0.001 0.000 0.251 111 V C 1.222 177.376 176.094 0.101 0.000 1.063 111 V CA 1.452 63.775 62.300 0.038 0.000 1.055 111 V CB -0.506 31.347 31.823 0.050 0.000 0.657 111 V HN 0.503 nan 8.190 nan 0.000 0.455 112 N N -1.637 117.136 118.700 0.121 0.000 2.401 112 N HA 0.114 4.855 4.740 0.001 0.000 0.264 112 N C 0.916 176.481 175.510 0.092 0.000 1.238 112 N CA -0.179 52.931 53.050 0.101 0.000 0.889 112 N CB 0.425 38.949 38.487 0.061 0.000 1.196 112 N HN 0.537 nan 8.380 nan 0.000 0.511 113 Y N 1.036 121.371 120.300 0.058 0.000 2.053 113 Y HA -0.269 4.282 4.550 0.001 0.000 0.277 113 Y C 1.985 177.881 175.900 -0.008 0.000 1.159 113 Y CA 1.742 59.847 58.100 0.009 0.000 1.125 113 Y CB -0.487 37.993 38.460 0.033 0.000 0.969 113 Y HN 0.080 nan 8.280 nan 0.000 0.492 114 F N 1.102 120.933 119.950 -0.198 0.000 2.102 114 F HA -0.194 4.334 4.527 0.001 0.000 0.298 114 F C 2.245 177.913 175.800 -0.220 0.000 1.105 114 F CA 2.199 60.042 58.000 -0.263 0.000 1.239 114 F CB -0.559 38.416 39.000 -0.041 0.000 0.991 114 F HN 0.109 nan 8.300 nan 0.000 0.474 115 D N 0.255 120.639 120.400 -0.027 0.000 2.123 115 D HA -0.192 4.448 4.640 0.001 0.000 0.196 115 D C 1.808 177.969 176.300 -0.232 0.000 0.992 115 D CA 1.625 55.564 54.000 -0.102 0.000 0.833 115 D CB -0.460 40.353 40.800 0.023 0.000 0.954 115 D HN 0.353 nan 8.370 nan 0.000 0.455 116 D N 0.376 120.643 120.400 -0.222 0.000 2.144 116 D HA -0.114 4.527 4.640 0.001 0.000 0.199 116 D C 2.205 178.308 176.300 -0.328 0.000 0.984 116 D CA 0.226 54.094 54.000 -0.220 0.000 0.834 116 D CB -0.246 40.457 40.800 -0.162 0.000 0.955 116 D HN 0.143 nan 8.370 nan 0.000 0.465 117 L N 0.868 121.775 121.223 -0.525 0.000 2.017 117 L HA -0.195 4.146 4.340 0.001 0.000 0.208 117 L C 2.253 178.821 176.870 -0.504 0.000 1.073 117 L CA 1.761 56.249 54.840 -0.585 0.000 0.745 117 L CB -0.608 40.938 42.059 -0.855 0.000 0.894 117 L HN -0.124 nan 8.230 nan 0.000 0.432 118 Q N -0.456 118.957 119.800 -0.645 0.000 2.224 118 Q HA -0.048 4.293 4.340 0.001 0.000 0.203 118 Q C 1.801 177.633 176.000 -0.280 0.000 0.970 118 Q CA 1.626 57.128 55.803 -0.502 0.000 0.865 118 Q CB -0.219 28.151 28.738 -0.613 0.000 0.922 118 Q HN 0.590 nan 8.270 nan 0.000 0.445 119 A N -1.181 121.492 122.820 -0.245 0.000 2.275 119 A HA 0.446 4.766 4.320 0.001 0.000 0.212 119 A C 1.456 178.962 177.584 -0.131 0.000 1.201 119 A CA 0.567 52.513 52.037 -0.152 0.000 0.843 119 A CB -0.413 18.516 19.000 -0.118 0.000 0.873 119 A HN 0.606 nan 8.150 nan 0.000 0.492 120 G N -0.389 108.316 108.800 -0.158 0.000 2.143 120 G HA2 -0.259 3.702 3.960 0.001 0.000 0.248 120 G HA3 -0.259 3.702 3.960 0.001 0.000 0.248 120 G C 0.211 175.052 174.900 -0.098 0.000 0.991 120 G CA 0.299 45.325 45.100 -0.122 0.000 0.689 120 G HN 0.611 nan 8.290 nan 0.000 0.522 121 R N 0.356 120.792 120.500 -0.107 0.000 2.404 121 R HA 0.412 4.752 4.340 0.001 0.000 0.291 121 R C 0.551 176.810 176.300 -0.069 0.000 1.025 121 R CA -0.628 55.428 56.100 -0.074 0.000 0.991 121 R CB 1.063 31.323 30.300 -0.067 0.000 1.053 121 R HN 0.485 nan 8.270 nan 0.000 0.479 122 E N 2.304 122.483 120.200 -0.034 0.000 2.442 122 E HA -0.107 4.244 4.350 0.001 0.000 0.262 122 E C -0.302 176.302 176.600 0.005 0.000 1.004 122 E CA -0.135 56.259 56.400 -0.010 0.000 0.928 122 E CB 0.720 30.427 29.700 0.012 0.000 0.937 122 E HN 0.212 nan 8.360 nan 0.000 0.446 123 Q N 1.786 121.607 119.800 0.035 0.000 2.421 123 Q HA 0.036 4.377 4.340 0.001 0.000 0.255 123 Q C 0.499 176.583 176.000 0.141 0.000 1.013 123 Q CA 0.580 56.436 55.803 0.089 0.000 0.895 123 Q CB 1.372 30.219 28.738 0.180 0.000 1.271 123 Q HN 0.728 nan 8.270 nan 0.000 0.460 124 A N 2.208 125.128 122.820 0.166 0.000 1.930 124 A HA -0.102 4.219 4.320 0.001 0.000 0.215 124 A C 0.815 178.519 177.584 0.200 0.000 1.176 124 A CA 0.686 52.813 52.037 0.151 0.000 0.632 124 A CB -0.234 18.844 19.000 0.130 0.000 0.819 124 A HN 0.693 nan 8.150 nan 0.000 0.445 125 H N 1.701 120.910 119.070 0.231 0.000 3.017 125 H HA 0.128 4.685 4.556 0.001 0.000 0.276 125 H C -1.503 173.980 175.328 0.259 0.000 1.062 125 H CA -1.884 54.323 56.048 0.264 0.000 1.486 125 H CB 1.050 31.049 29.762 0.395 0.000 1.507 125 H HN 0.164 nan 8.280 nan 0.000 0.508 126 P HA -0.246 nan 4.420 nan 0.000 0.218 126 P C 1.673 179.183 177.300 0.350 0.000 1.154 126 P CA 1.317 64.578 63.100 0.269 0.000 0.872 126 P CB -0.085 31.713 31.700 0.162 0.000 0.790 127 W N -0.119 121.392 121.300 0.352 0.000 2.317 127 W HA -0.153 4.508 4.660 0.001 0.000 0.318 127 W C 2.517 178.979 176.519 -0.095 0.000 1.227 127 W CA 1.647 59.021 57.345 0.047 0.000 1.269 127 W CB -1.322 28.072 29.460 -0.110 0.000 1.155 127 W HN -0.085 nan 8.180 nan 0.000 0.484 128 W N -0.023 121.432 121.300 0.257 0.000 2.350 128 W HA -0.224 4.437 4.660 0.001 0.000 0.289 128 W C 2.564 179.029 176.519 -0.090 0.000 1.215 128 W CA 1.554 58.904 57.345 0.010 0.000 1.236 128 W CB -0.736 28.756 29.460 0.052 0.000 1.130 128 W HN -0.006 nan 8.180 nan 0.000 0.541 129 A N 0.035 122.985 122.820 0.217 0.000 1.877 129 A HA -0.177 4.143 4.320 0.001 0.000 0.216 129 A C 1.898 179.471 177.584 -0.017 0.000 1.186 129 A CA 1.475 53.573 52.037 0.101 0.000 0.620 129 A CB -0.967 18.096 19.000 0.105 0.000 0.822 129 A HN 0.274 nan 8.150 nan 0.000 0.443 130 L N -0.650 120.492 121.223 -0.135 0.000 2.005 130 L HA -0.127 4.214 4.340 0.001 0.000 0.207 130 L C 2.537 179.132 176.870 -0.458 0.000 1.072 130 L CA 1.070 55.758 54.840 -0.253 0.000 0.744 130 L CB -0.755 41.119 42.059 -0.308 0.000 0.895 130 L HN 0.226 nan 8.230 nan 0.000 0.433 131 V N 0.356 119.779 119.914 -0.818 0.000 2.332 131 V HA -0.269 3.852 4.120 0.001 0.000 0.248 131 V C 2.155 178.106 176.094 -0.238 0.000 1.055 131 V CA 1.869 63.667 62.300 -0.836 0.000 1.038 131 V CB -0.693 30.347 31.823 -1.304 0.000 0.651 131 V HN 0.484 nan 8.190 nan 0.000 0.450 132 N N -0.268 118.437 118.700 0.008 0.000 2.354 132 N HA -0.123 4.618 4.740 0.001 0.000 0.179 132 N C 1.874 177.454 175.510 0.116 0.000 1.021 132 N CA 1.119 54.275 53.050 0.177 0.000 0.887 132 N CB -0.168 38.415 38.487 0.159 0.000 0.974 132 N HN 0.685 nan 8.380 nan 0.000 0.437 133 E N -0.033 120.198 120.200 0.053 0.000 2.107 133 E HA -0.195 4.156 4.350 0.001 0.000 0.191 133 E C 1.616 178.270 176.600 0.089 0.000 0.982 133 E CA 0.822 57.257 56.400 0.057 0.000 0.809 133 E CB -0.049 29.677 29.700 0.045 0.000 0.756 133 E HN 0.426 nan 8.360 nan 0.000 0.459 134 H N -0.799 118.277 119.070 0.009 0.000 2.544 134 H HA -0.041 4.515 4.556 0.001 0.000 0.269 134 H C 1.598 176.971 175.328 0.075 0.000 0.970 134 H CA 0.265 56.331 56.048 0.030 0.000 1.219 134 H CB 0.014 29.793 29.762 0.027 0.000 1.421 134 H HN 0.187 nan 8.280 nan 0.000 0.555 135 F N 2.138 122.026 119.950 -0.103 0.000 2.115 135 F HA -0.109 4.418 4.527 0.001 0.000 0.300 135 F C -0.758 174.917 175.800 -0.209 0.000 1.092 135 F CA 0.780 58.698 58.000 -0.136 0.000 1.245 135 F CB -1.434 37.539 39.000 -0.044 0.000 0.995 135 F HN 0.283 nan 8.300 nan 0.000 0.481 136 P HA -0.221 nan 4.420 nan 0.000 0.216 136 P C 1.200 178.476 177.300 -0.040 0.000 1.154 136 P CA 2.282 65.370 63.100 -0.020 0.000 0.865 136 P CB -0.238 31.444 31.700 -0.030 0.000 0.789 137 N N -1.044 117.548 118.700 -0.179 0.000 2.192 137 N HA -0.135 4.606 4.740 0.001 0.000 0.188 137 N C 1.384 176.892 175.510 -0.003 0.000 1.013 137 N CA 0.892 53.849 53.050 -0.155 0.000 0.863 137 N CB -0.324 37.919 38.487 -0.408 0.000 0.990 137 N HN 0.007 nan 8.380 nan 0.000 0.430 138 V N 1.032 120.917 119.914 -0.049 0.000 2.446 138 V HA -0.073 4.048 4.120 0.001 0.000 0.244 138 V C 2.068 178.329 176.094 0.278 0.000 1.039 138 V CA 0.977 63.312 62.300 0.059 0.000 1.045 138 V CB -0.307 31.520 31.823 0.007 0.000 0.681 138 V HN 0.277 nan 8.190 nan 0.000 0.459 139 L N 0.892 122.232 121.223 0.195 0.000 2.201 139 L HA -0.135 4.206 4.340 0.001 0.000 0.212 139 L C 2.785 179.803 176.870 0.247 0.000 1.105 139 L CA 1.505 56.460 54.840 0.191 0.000 0.775 139 L CB -0.698 41.325 42.059 -0.061 0.000 0.913 139 L HN 0.449 nan 8.230 nan 0.000 0.440 140 R N -0.359 120.248 120.500 0.179 0.000 2.200 140 R HA -0.171 4.170 4.340 0.001 0.000 0.234 140 R C 1.341 177.645 176.300 0.007 0.000 1.127 140 R CA 1.364 57.507 56.100 0.072 0.000 0.989 140 R CB -0.755 29.542 30.300 -0.004 0.000 0.869 140 R HN 0.535 nan 8.270 nan 0.000 0.459 141 H N -0.671 118.337 119.070 -0.104 0.000 2.543 141 H HA 0.160 4.716 4.556 0.001 0.000 0.269 141 H C -0.350 174.537 175.328 -0.735 0.000 1.005 141 H CA 0.125 55.908 56.048 -0.442 0.000 1.146 141 H CB 0.060 29.411 29.762 -0.685 0.000 1.353 141 H HN 0.111 nan 8.280 nan 0.000 0.595 142 F N -0.632 119.404 119.950 0.143 0.000 2.650 142 F HA 0.491 5.019 4.527 0.001 0.000 0.320 142 F C 0.936 176.791 175.800 0.092 0.000 1.091 142 F CA -1.142 56.932 58.000 0.124 0.000 0.962 142 F CB 0.846 39.908 39.000 0.102 0.000 1.363 142 F HN -0.146 nan 8.300 nan 0.000 0.482 143 G N 0.392 109.395 108.800 0.338 0.000 2.547 143 G HA2 0.418 4.379 3.960 0.001 0.000 0.291 143 G HA3 0.418 4.379 3.960 0.001 0.000 0.291 143 G C -1.948 173.072 174.900 0.199 0.000 1.211 143 G CA -1.327 43.911 45.100 0.230 0.000 0.950 143 G HN 0.390 nan 8.290 nan 0.000 0.504 144 P HA -0.196 nan 4.420 nan 0.000 0.215 144 P C 1.608 178.999 177.300 0.151 0.000 1.153 144 P CA 0.984 64.159 63.100 0.125 0.000 0.853 144 P CB 0.070 31.839 31.700 0.116 0.000 0.788 145 F N 1.039 121.051 119.950 0.104 0.000 2.051 145 F HA -0.207 4.321 4.527 0.001 0.000 0.296 145 F C 2.417 178.251 175.800 0.057 0.000 1.122 145 F CA 1.533 59.601 58.000 0.113 0.000 1.201 145 F CB -1.218 37.901 39.000 0.198 0.000 0.978 145 F HN -0.042 nan 8.300 nan 0.000 0.472 146 C N -0.144 119.185 119.300 0.049 0.000 2.413 146 C HA -0.188 4.272 4.460 0.001 0.000 0.276 146 C C 3.068 177.928 174.990 -0.216 0.000 1.248 146 C CA 1.541 60.501 59.018 -0.097 0.000 1.742 146 C CB -1.492 26.331 27.740 0.138 0.000 2.017 146 C HN 0.596 nan 8.230 nan 0.000 0.481 147 S N 0.654 116.287 115.700 -0.110 0.000 2.359 147 S HA -0.199 4.271 4.470 0.001 0.000 0.224 147 S C 1.710 176.171 174.600 -0.232 0.000 1.035 147 S CA 1.550 59.642 58.200 -0.179 0.000 1.018 147 S CB -0.519 62.626 63.200 -0.091 0.000 0.876 147 S HN 0.570 nan 8.310 nan 0.000 0.448 148 L N 2.742 123.844 121.223 -0.201 0.000 2.079 148 L HA -0.129 4.212 4.340 0.001 0.000 0.210 148 L C 1.798 178.554 176.870 -0.191 0.000 1.081 148 L CA 1.687 56.415 54.840 -0.186 0.000 0.752 148 L CB -0.673 41.285 42.059 -0.169 0.000 0.896 148 L HN 0.268 nan 8.230 nan 0.000 0.433 149 N N -0.732 117.799 118.700 -0.281 0.000 2.142 149 N HA -0.166 4.574 4.740 0.001 0.000 0.186 149 N C 1.795 177.274 175.510 -0.051 0.000 1.023 149 N CA 1.514 54.457 53.050 -0.178 0.000 0.852 149 N CB -0.178 38.143 38.487 -0.277 0.000 0.998 149 N HN 0.263 nan 8.380 nan 0.000 0.424 150 L N 1.760 122.913 121.223 -0.116 0.000 1.976 150 L HA -0.098 4.242 4.340 0.001 0.000 0.209 150 L C 2.335 179.288 176.870 0.138 0.000 1.071 150 L CA 1.202 56.032 54.840 -0.017 0.000 0.746 150 L CB -0.737 41.229 42.059 -0.156 0.000 0.890 150 L HN 0.120 nan 8.230 nan 0.000 0.432 151 I N -1.037 119.516 120.570 -0.029 0.000 2.151 151 I HA -0.389 3.781 4.170 0.001 0.000 0.243 151 I C 2.700 178.934 176.117 0.196 0.000 1.080 151 I CA 1.380 62.711 61.300 0.052 0.000 1.339 151 I CB -0.390 37.524 38.000 -0.143 0.000 1.039 151 I HN 0.278 nan 8.210 nan 0.000 0.409 152 R N 0.021 120.590 120.500 0.115 0.000 2.070 152 R HA -0.156 4.185 4.340 0.001 0.000 0.232 152 R C 2.575 178.985 176.300 0.183 0.000 1.138 152 R CA 1.758 57.940 56.100 0.135 0.000 0.936 152 R CB -0.666 29.687 30.300 0.089 0.000 0.839 152 R HN 0.244 nan 8.270 nan 0.000 0.429 153 S N -0.057 115.746 115.700 0.172 0.000 2.374 153 S HA -0.165 4.306 4.470 0.001 0.000 0.227 153 S C 1.821 176.603 174.600 0.304 0.000 1.037 153 S CA 1.978 60.286 58.200 0.180 0.000 1.024 153 S CB -0.257 63.049 63.200 0.177 0.000 0.861 153 S HN 0.368 nan 8.310 nan 0.000 0.456 154 T N 2.152 116.946 114.554 0.400 0.000 2.788 154 T HA -0.041 4.310 4.350 0.001 0.000 0.268 154 T C 1.649 176.728 174.700 0.631 0.000 1.044 154 T CA 1.262 63.678 62.100 0.526 0.000 1.139 154 T CB -0.376 68.869 68.868 0.628 0.000 0.867 154 T HN 0.264 nan 8.240 nan 0.000 0.454 155 L N 1.542 123.110 121.223 0.576 0.000 2.056 155 L HA -0.047 4.293 4.340 0.001 0.000 0.207 155 L C 1.790 178.913 176.870 0.421 0.000 1.078 155 L CA 1.770 56.955 54.840 0.574 0.000 0.749 155 L CB -0.648 41.624 42.059 0.355 0.000 0.901 155 L HN 0.064 nan 8.230 nan 0.000 0.433 156 D N -1.017 119.557 120.400 0.289 0.000 2.117 156 D HA -0.251 4.389 4.640 0.001 0.000 0.197 156 D C 2.010 178.408 176.300 0.163 0.000 0.987 156 D CA 1.394 55.491 54.000 0.162 0.000 0.829 156 D CB -0.404 40.439 40.800 0.071 0.000 0.961 156 D HN 0.354 nan 8.370 nan 0.000 0.460 157 F N 0.632 120.655 119.950 0.123 0.000 2.095 157 F HA -0.224 4.304 4.527 0.001 0.000 0.298 157 F C 2.100 177.903 175.800 0.005 0.000 1.104 157 F CA 1.057 59.093 58.000 0.060 0.000 1.232 157 F CB -0.526 38.534 39.000 0.100 0.000 0.987 157 F HN -0.093 nan 8.300 nan 0.000 0.475 158 F N 1.280 121.153 119.950 -0.128 0.000 2.095 158 F HA -0.229 4.299 4.527 0.001 0.000 0.298 158 F C 2.591 178.302 175.800 -0.149 0.000 1.104 158 F CA 2.293 60.109 58.000 -0.305 0.000 1.232 158 F CB -0.765 38.228 39.000 -0.010 0.000 0.987 158 F HN 0.201 nan 8.300 nan 0.000 0.475 159 E N -0.445 119.823 120.200 0.113 0.000 2.106 159 E HA -0.104 4.247 4.350 0.001 0.000 0.192 159 E C 2.483 179.019 176.600 -0.106 0.000 0.984 159 E CA 1.028 57.472 56.400 0.074 0.000 0.806 159 E CB -0.673 29.074 29.700 0.078 0.000 0.750 159 E HN 0.492 nan 8.360 nan 0.000 0.458 160 G N 0.657 109.326 108.800 -0.218 0.000 2.446 160 G HA2 -0.315 3.646 3.960 0.001 0.000 0.217 160 G HA3 -0.315 3.646 3.960 0.001 0.000 0.217 160 G C 1.710 176.423 174.900 -0.312 0.000 1.168 160 G CA 1.019 45.950 45.100 -0.282 0.000 0.771 160 G HN 0.417 nan 8.290 nan 0.000 0.551 161 C N -0.936 118.047 119.300 -0.529 0.000 2.425 161 C HA -0.023 4.438 4.460 0.001 0.000 0.277 161 C C 2.351 177.204 174.990 -0.228 0.000 1.280 161 C CA 0.325 59.051 59.018 -0.487 0.000 1.744 161 C CB -1.046 26.236 27.740 -0.763 0.000 1.989 161 C HN 0.666 nan 8.230 nan 0.000 0.491 162 W N 1.769 122.800 121.300 -0.448 0.000 2.333 162 W HA -0.087 4.574 4.660 0.001 0.000 0.316 162 W C 2.140 178.643 176.519 -0.027 0.000 1.215 162 W CA 1.262 58.451 57.345 -0.260 0.000 1.278 162 W CB -1.010 28.288 29.460 -0.270 0.000 1.154 162 W HN 0.297 nan 8.180 nan 0.000 0.486 163 I N 0.568 121.234 120.570 0.161 0.000 2.208 163 I HA -0.313 3.857 4.170 0.001 0.000 0.245 163 I C 2.128 178.387 176.117 0.235 0.000 1.097 163 I CA 1.743 63.111 61.300 0.113 0.000 1.363 163 I CB -0.741 37.288 38.000 0.049 0.000 1.051 163 I HN -0.013 nan 8.210 nan 0.000 0.413 164 E N 0.536 120.813 120.200 0.128 0.000 2.338 164 E HA -0.216 4.135 4.350 0.001 0.000 0.197 164 E C 1.977 178.657 176.600 0.133 0.000 1.007 164 E CA 0.553 57.023 56.400 0.116 0.000 0.849 164 E CB -0.083 29.621 29.700 0.007 0.000 0.774 164 E HN 0.594 nan 8.360 nan 0.000 0.506 165 Q N -0.421 119.470 119.800 0.151 0.000 2.364 165 Q HA -0.144 4.196 4.340 0.001 0.000 0.209 165 Q C 0.891 176.892 176.000 0.000 0.000 0.977 165 Q CA 0.863 56.690 55.803 0.041 0.000 0.885 165 Q CB 0.011 28.742 28.738 -0.012 0.000 0.941 165 Q HN 0.447 nan 8.270 nan 0.000 0.464 166 Y N 0.145 120.484 120.300 0.066 0.000 2.511 166 Y HA 0.010 4.560 4.550 0.001 0.000 0.279 166 Y C 0.651 176.606 175.900 0.092 0.000 1.157 166 Y CA 0.149 58.284 58.100 0.058 0.000 1.300 166 Y CB -0.002 38.470 38.460 0.020 0.000 1.052 166 Y HN 0.139 nan 8.280 nan 0.000 0.529 167 N N -0.053 118.778 118.700 0.217 0.000 2.725 167 N HA -0.279 4.461 4.740 0.001 0.000 0.251 167 N C -1.082 174.567 175.510 0.232 0.000 1.031 167 N CA 0.244 53.392 53.050 0.163 0.000 0.720 167 N CB -1.567 36.974 38.487 0.090 0.000 0.930 167 N HN 0.245 nan 8.380 nan 0.000 0.543 168 F N -0.368 119.634 119.950 0.086 0.000 2.361 168 F HA 0.619 5.147 4.527 0.001 0.000 0.364 168 F C 1.419 177.258 175.800 0.065 0.000 1.117 168 F CA -0.559 57.441 58.000 0.001 0.000 1.071 168 F CB 0.835 39.780 39.000 -0.092 0.000 1.188 168 F HN 0.049 nan 8.300 nan 0.000 0.464 169 G N 3.078 111.640 108.800 -0.396 0.000 2.985 169 G HA2 0.413 4.374 3.960 0.001 0.000 0.209 169 G HA3 0.413 4.374 3.960 0.001 0.000 0.209 169 G C 0.534 175.077 174.900 -0.596 0.000 1.165 169 G CA 0.277 45.214 45.100 -0.271 0.000 0.776 169 G HN 1.357 nan 8.290 nan 0.000 0.541 170 G N -0.962 106.640 108.800 -1.996 0.000 2.629 170 G HA2 0.008 3.968 3.960 0.001 0.000 0.686 170 G HA3 0.008 3.968 3.960 0.001 0.000 0.686 170 G C -0.660 173.641 174.900 -0.999 0.000 1.232 170 G CA -1.126 42.795 45.100 -1.965 0.000 0.803 170 G HN 0.188 nan 8.290 nan 0.000 0.638 171 F N 1.328 121.059 119.950 -0.365 0.000 2.412 171 F HA 0.477 5.004 4.527 0.001 0.000 0.348 171 F C -1.316 174.450 175.800 -0.056 0.000 1.102 171 F CA -1.993 55.968 58.000 -0.065 0.000 1.196 171 F CB 0.959 39.983 39.000 0.040 0.000 1.144 171 F HN 0.166 nan 8.300 nan 0.000 0.541 172 P HA 0.160 nan 4.420 nan 0.000 0.261 172 P C 0.679 178.045 177.300 0.110 0.000 1.183 172 P CA 1.247 64.423 63.100 0.127 0.000 0.761 172 P CB 0.428 32.189 31.700 0.101 0.000 0.785 173 G N 2.398 111.267 108.800 0.115 0.000 2.232 173 G HA2 -0.246 3.714 3.960 0.001 0.000 0.226 173 G HA3 -0.246 3.714 3.960 0.001 0.000 0.226 173 G C 0.671 175.419 174.900 -0.253 0.000 0.996 173 G CA 0.087 45.159 45.100 -0.047 0.000 0.626 173 G HN 0.627 nan 8.290 nan 0.000 0.509 174 S N 1.518 117.219 115.700 0.001 0.000 4.087 174 S HA 0.404 4.875 4.470 0.001 0.000 0.213 174 S C 1.702 176.400 174.600 0.163 0.000 1.415 174 S CA -0.048 58.176 58.200 0.040 0.000 0.893 174 S CB -0.372 62.909 63.200 0.135 0.000 1.529 174 S HN 0.387 nan 8.310 nan 0.000 0.457 175 H N 1.633 120.779 119.070 0.127 0.000 2.489 175 H HA -0.048 4.509 4.556 0.001 0.000 0.295 175 H C 1.301 176.732 175.328 0.172 0.000 1.082 175 H CA 1.057 57.188 56.048 0.139 0.000 1.295 175 H CB -0.009 29.811 29.762 0.095 0.000 1.380 175 H HN 0.564 nan 8.280 nan 0.000 0.548 176 D N -0.438 120.112 120.400 0.250 0.000 2.347 176 D HA -0.106 4.535 4.640 0.001 0.000 0.213 176 D C 1.876 178.315 176.300 0.232 0.000 0.985 176 D CA 0.148 54.274 54.000 0.211 0.000 0.879 176 D CB -0.247 40.630 40.800 0.127 0.000 0.919 176 D HN 0.343 nan 8.370 nan 0.000 0.526 177 Y N 2.018 122.389 120.300 0.117 0.000 2.128 177 Y HA -0.130 4.420 4.550 0.001 0.000 0.284 177 Y C -0.882 175.143 175.900 0.208 0.000 1.154 177 Y CA 1.518 59.693 58.100 0.125 0.000 1.149 177 Y CB -1.164 37.313 38.460 0.029 0.000 0.976 177 Y HN 0.017 nan 8.280 nan 0.000 0.505 178 P HA -0.212 nan 4.420 nan 0.000 0.214 178 P C 1.243 178.499 177.300 -0.074 0.000 1.163 178 P CA 2.557 65.605 63.100 -0.087 0.000 0.889 178 P CB -0.109 31.577 31.700 -0.024 0.000 0.790 179 Q N -2.379 117.486 119.800 0.109 0.000 2.297 179 Q HA -0.101 4.240 4.340 0.001 0.000 0.204 179 Q C 1.917 177.962 176.000 0.075 0.000 0.962 179 Q CA 0.623 56.508 55.803 0.136 0.000 0.879 179 Q CB -0.498 28.395 28.738 0.259 0.000 0.947 179 Q HN 0.263 nan 8.270 nan 0.000 0.462 180 F N 0.984 120.888 119.950 -0.077 0.000 2.113 180 F HA -0.202 4.325 4.527 0.001 0.000 0.297 180 F C 1.783 177.480 175.800 -0.172 0.000 1.103 180 F CA 0.938 58.879 58.000 -0.098 0.000 1.248 180 F CB -0.178 38.768 39.000 -0.090 0.000 0.999 180 F HN 0.049 nan 8.300 nan 0.000 0.475 181 L N 0.868 121.869 121.223 -0.369 0.000 2.072 181 L HA -0.031 4.310 4.340 0.001 0.000 0.205 181 L C 2.463 179.152 176.870 -0.300 0.000 1.079 181 L CA 1.624 56.180 54.840 -0.473 0.000 0.752 181 L CB -0.988 40.763 42.059 -0.515 0.000 0.906 181 L HN 0.104 nan 8.230 nan 0.000 0.436 182 R N -0.226 120.157 120.500 -0.195 0.000 2.115 182 R HA -0.057 4.283 4.340 0.001 0.000 0.230 182 R C 2.343 178.581 176.300 -0.103 0.000 1.111 182 R CA 1.427 57.465 56.100 -0.102 0.000 0.976 182 R CB -0.320 29.959 30.300 -0.035 0.000 0.870 182 R HN 0.328 nan 8.270 nan 0.000 0.445 183 R N -1.077 119.335 120.500 -0.147 0.000 2.153 183 R HA 0.077 4.418 4.340 0.001 0.000 0.218 183 R C 1.984 178.183 176.300 -0.167 0.000 1.072 183 R CA 0.996 57.008 56.100 -0.147 0.000 0.990 183 R CB -0.041 30.177 30.300 -0.137 0.000 0.889 183 R HN 0.225 nan 8.270 nan 0.000 0.452 184 M N 1.206 120.651 119.600 -0.258 0.000 2.099 184 M HA -0.126 4.355 4.480 0.001 0.000 0.262 184 M C 1.324 177.574 176.300 -0.082 0.000 1.067 184 M CA 1.580 56.737 55.300 -0.238 0.000 1.124 184 M CB -0.711 31.641 32.600 -0.413 0.000 1.353 184 M HN 0.140 nan 8.290 nan 0.000 0.410 185 N N -0.125 118.534 118.700 -0.069 0.000 2.336 185 N HA 0.037 4.778 4.740 0.001 0.000 0.189 185 N C 1.359 177.032 175.510 0.271 0.000 1.113 185 N CA 0.888 53.984 53.050 0.077 0.000 0.858 185 N CB -0.974 37.492 38.487 -0.035 0.000 0.970 185 N HN 0.221 nan 8.380 nan 0.000 0.471 186 G N 0.237 109.122 108.800 0.141 0.000 2.421 186 G HA2 -0.001 3.959 3.960 0.001 0.000 0.217 186 G HA3 -0.001 3.959 3.960 0.001 0.000 0.217 186 G C 0.667 175.666 174.900 0.164 0.000 1.143 186 G CA 0.391 45.569 45.100 0.130 0.000 0.784 186 G HN 0.355 nan 8.290 nan 0.000 0.541 187 L N -0.725 120.604 121.223 0.177 0.000 4.291 187 L HA -0.220 4.121 4.340 0.001 0.000 0.413 187 L C 2.151 179.119 176.870 0.164 0.000 1.162 187 L CA -0.042 54.909 54.840 0.186 0.000 0.961 187 L CB -1.561 40.611 42.059 0.188 0.000 2.095 187 L HN 0.329 nan 8.230 nan 0.000 0.838 188 G N -0.802 108.060 108.800 0.103 0.000 2.476 188 G HA2 -0.249 3.711 3.960 0.001 0.000 0.218 188 G HA3 -0.249 3.711 3.960 0.001 0.000 0.218 188 G C 1.043 176.066 174.900 0.205 0.000 1.164 188 G CA 1.360 46.527 45.100 0.111 0.000 0.768 188 G HN 0.730 nan 8.290 nan 0.000 0.560 189 H N -1.510 117.573 119.070 0.022 0.000 2.502 189 H HA 0.007 4.563 4.556 0.001 0.000 0.283 189 H C 2.524 177.855 175.328 0.005 0.000 1.015 189 H CA 0.359 56.407 56.048 -0.002 0.000 1.298 189 H CB 0.173 29.928 29.762 -0.011 0.000 1.411 189 H HN 0.445 nan 8.280 nan 0.000 0.556 190 C N 0.276 119.696 119.300 0.200 0.000 2.489 190 C HA -0.081 4.379 4.460 0.001 0.000 0.279 190 C C 2.737 177.858 174.990 0.219 0.000 1.266 190 C CA 0.416 59.542 59.018 0.180 0.000 1.707 190 C CB -0.991 26.908 27.740 0.265 0.000 2.059 190 C HN 0.297 nan 8.230 nan 0.000 0.481 191 V N 1.464 121.544 119.914 0.276 0.000 2.233 191 V HA -0.094 4.027 4.120 0.001 0.000 0.247 191 V C 2.780 178.849 176.094 -0.042 0.000 1.050 191 V CA 2.558 65.009 62.300 0.252 0.000 1.010 191 V CB -1.518 30.352 31.823 0.078 0.000 0.637 191 V HN 0.728 nan 8.190 nan 0.000 0.444 192 G N -0.874 107.853 108.800 -0.121 0.000 2.442 192 G HA2 -0.208 3.753 3.960 0.001 0.000 0.219 192 G HA3 -0.208 3.753 3.960 0.001 0.000 0.219 192 G C 1.578 176.437 174.900 -0.068 0.000 1.141 192 G CA 1.022 46.008 45.100 -0.189 0.000 0.763 192 G HN 0.665 nan 8.290 nan 0.000 0.554 193 A N 0.729 123.539 122.820 -0.016 0.000 2.169 193 A HA 0.250 4.570 4.320 0.001 0.000 0.212 193 A C 2.450 180.003 177.584 -0.052 0.000 1.153 193 A CA 1.590 53.652 52.037 0.042 0.000 0.756 193 A CB -0.222 18.724 19.000 -0.090 0.000 0.813 193 A HN 0.614 nan 8.150 nan 0.000 0.471 194 S N -0.523 115.122 115.700 -0.092 0.000 2.593 194 S HA 0.162 4.632 4.470 0.001 0.000 0.217 194 S C 1.265 176.090 174.600 0.375 0.000 0.966 194 S CA 0.215 58.413 58.200 -0.003 0.000 0.914 194 S CB -0.449 62.868 63.200 0.195 0.000 0.776 194 S HN 0.430 nan 8.310 nan 0.000 0.523 195 L N -0.346 120.732 121.223 -0.242 0.000 2.599 195 L HA 0.255 4.596 4.340 0.001 0.000 0.230 195 L C -0.184 176.035 176.870 -1.084 0.000 1.141 195 L CA 0.029 54.367 54.840 -0.835 0.000 0.877 195 L CB -0.237 40.870 42.059 -1.586 0.000 1.009 195 L HN 0.461 nan 8.230 nan 0.000 0.447 196 W N -0.107 121.235 121.300 0.071 0.000 2.319 196 W HA 0.366 5.026 4.660 0.001 0.000 0.288 196 W C -2.527 174.151 176.519 0.265 0.000 0.959 196 W CA -2.102 55.185 57.345 -0.097 0.000 1.784 196 W CB -0.004 29.290 29.460 -0.277 0.000 1.848 196 W HN -0.252 nan 8.180 nan 0.000 0.408 197 P HA 0.001 nan 4.420 nan 0.000 0.271 197 P C 0.962 178.383 177.300 0.201 0.000 1.226 197 P CA -0.015 63.104 63.100 0.032 0.000 0.765 197 P CB 0.868 32.546 31.700 -0.037 0.000 0.835 198 K N 2.705 123.174 120.400 0.114 0.000 2.589 198 K HA -0.197 4.124 4.320 0.001 0.000 0.195 198 K C 1.216 177.869 176.600 0.088 0.000 1.040 198 K CA 1.442 57.818 56.287 0.148 0.000 0.950 198 K CB -0.201 32.366 32.500 0.111 0.000 0.781 198 K HN 0.394 nan 8.250 nan 0.000 0.486 199 E N 0.458 120.690 120.200 0.054 0.000 2.340 199 E HA -0.047 4.304 4.350 0.001 0.000 0.194 199 E C 0.999 177.605 176.600 0.009 0.000 0.996 199 E CA 0.410 56.816 56.400 0.010 0.000 0.869 199 E CB 0.399 30.082 29.700 -0.029 0.000 0.835 199 E HN 0.436 nan 8.360 nan 0.000 0.493 200 Q N -1.126 118.710 119.800 0.060 0.000 2.189 200 Q HA 0.255 4.595 4.340 0.001 0.000 0.223 200 Q C -1.088 174.679 176.000 -0.389 0.000 0.828 200 Q CA 0.010 55.738 55.803 -0.125 0.000 0.967 200 Q CB 1.046 29.724 28.738 -0.100 0.000 1.139 200 Q HN 0.001 nan 8.270 nan 0.000 0.497 201 F N -0.201 119.819 119.950 0.116 0.000 2.613 201 F HA 0.392 4.919 4.527 0.001 0.000 0.310 201 F C -0.426 175.433 175.800 0.098 0.000 1.085 201 F CA -1.263 56.816 58.000 0.133 0.000 0.945 201 F CB 1.426 40.572 39.000 0.244 0.000 1.298 201 F HN -0.224 nan 8.300 nan 0.000 0.455 202 N N 1.901 120.754 118.700 0.256 0.000 2.558 202 N HA 0.097 4.838 4.740 0.001 0.000 0.242 202 N C 0.642 176.243 175.510 0.152 0.000 0.979 202 N CA 0.080 53.226 53.050 0.160 0.000 0.931 202 N CB 1.225 39.766 38.487 0.090 0.000 1.122 202 N HN 0.898 nan 8.380 nan 0.000 0.508 203 E N 2.897 123.200 120.200 0.172 0.000 2.136 203 E HA -0.244 4.107 4.350 0.001 0.000 0.202 203 E C 1.160 177.847 176.600 0.145 0.000 1.019 203 E CA 1.679 58.177 56.400 0.163 0.000 0.819 203 E CB 0.365 30.202 29.700 0.229 0.000 0.739 203 E HN 0.562 nan 8.360 nan 0.000 0.458 204 R N -0.593 119.979 120.500 0.120 0.000 2.062 204 R HA 0.026 4.367 4.340 0.001 0.000 0.226 204 R C 2.581 178.919 176.300 0.063 0.000 1.125 204 R CA 1.367 57.516 56.100 0.081 0.000 0.966 204 R CB -0.037 30.283 30.300 0.033 0.000 0.861 204 R HN 0.024 nan 8.270 nan 0.000 0.433 205 S N 0.806 116.537 115.700 0.052 0.000 2.428 205 S HA 0.023 4.493 4.470 0.001 0.000 0.230 205 S C 1.466 176.085 174.600 0.031 0.000 1.014 205 S CA 0.832 59.052 58.200 0.035 0.000 0.957 205 S CB 0.124 63.343 63.200 0.032 0.000 0.784 205 S HN 0.203 nan 8.310 nan 0.000 0.499 206 L N 0.096 121.334 121.223 0.026 0.000 2.857 206 L HA 0.330 4.671 4.340 0.001 0.000 0.249 206 L C 1.320 178.113 176.870 -0.128 0.000 1.172 206 L CA -0.162 54.649 54.840 -0.049 0.000 0.980 206 L CB -0.186 41.834 42.059 -0.065 0.000 1.299 206 L HN 0.155 nan 8.230 nan 0.000 0.535 207 F N 1.268 121.107 119.950 -0.185 0.000 2.085 207 F HA -0.347 4.180 4.527 0.001 0.000 0.299 207 F C 2.020 177.666 175.800 -0.257 0.000 1.096 207 F CA 2.030 59.864 58.000 -0.276 0.000 1.227 207 F CB 0.009 38.832 39.000 -0.296 0.000 0.983 207 F HN 0.014 nan 8.300 nan 0.000 0.482 208 L N -0.093 121.104 121.223 -0.043 0.000 2.046 208 L HA -0.201 4.139 4.340 0.001 0.000 0.208 208 L C 2.571 179.342 176.870 -0.166 0.000 1.077 208 L CA 1.602 56.395 54.840 -0.078 0.000 0.747 208 L CB -0.988 41.068 42.059 -0.004 0.000 0.896 208 L HN 0.236 nan 8.230 nan 0.000 0.432 209 E N 0.591 120.687 120.200 -0.172 0.000 2.072 209 E HA -0.167 4.184 4.350 0.001 0.000 0.190 209 E C 2.220 178.624 176.600 -0.325 0.000 0.982 209 E CA 1.128 57.441 56.400 -0.145 0.000 0.803 209 E CB -0.464 29.162 29.700 -0.124 0.000 0.755 209 E HN 0.514 nan 8.360 nan 0.000 0.453 210 I N 1.715 121.933 120.570 -0.585 0.000 2.142 210 I HA -0.251 3.919 4.170 0.001 0.000 0.240 210 I C 2.470 178.347 176.117 -0.399 0.000 1.078 210 I CA 1.707 62.539 61.300 -0.780 0.000 1.343 210 I CB -0.557 36.987 38.000 -0.760 0.000 1.046 210 I HN 0.083 nan 8.210 nan 0.000 0.405 211 T N -0.085 114.205 114.554 -0.440 0.000 2.635 211 T HA -0.213 4.137 4.350 0.001 0.000 0.267 211 T C 2.152 176.768 174.700 -0.139 0.000 1.040 211 T CA 1.997 63.919 62.100 -0.298 0.000 1.156 211 T CB -0.267 68.339 68.868 -0.436 0.000 0.863 211 T HN 0.248 nan 8.240 nan 0.000 0.430 212 S N 0.714 116.358 115.700 -0.094 0.000 2.365 212 S HA -0.124 4.346 4.470 0.001 0.000 0.225 212 S C 2.483 177.166 174.600 0.138 0.000 1.039 212 S CA 1.159 59.380 58.200 0.035 0.000 1.033 212 S CB -0.600 62.634 63.200 0.056 0.000 0.887 212 S HN 0.586 nan 8.310 nan 0.000 0.447 213 A N 1.398 124.293 122.820 0.126 0.000 1.883 213 A HA -0.118 4.202 4.320 0.001 0.000 0.217 213 A C 2.046 179.631 177.584 0.002 0.000 1.186 213 A CA 1.557 53.621 52.037 0.044 0.000 0.624 213 A CB -0.834 18.158 19.000 -0.012 0.000 0.822 213 A HN 0.533 nan 8.150 nan 0.000 0.444 214 I N -0.289 120.264 120.570 -0.029 0.000 2.151 214 I HA -0.341 3.830 4.170 0.001 0.000 0.243 214 I C 2.937 178.993 176.117 -0.101 0.000 1.080 214 I CA 1.319 62.560 61.300 -0.099 0.000 1.339 214 I CB -0.377 37.500 38.000 -0.206 0.000 1.039 214 I HN 0.385 nan 8.210 nan 0.000 0.409 215 A N -0.223 122.556 122.820 -0.069 0.000 1.969 215 A HA -0.195 4.126 4.320 0.001 0.000 0.218 215 A C 2.228 179.830 177.584 0.030 0.000 1.169 215 A CA 1.343 53.372 52.037 -0.013 0.000 0.635 215 A CB -0.355 18.649 19.000 0.006 0.000 0.810 215 A HN 0.506 nan 8.150 nan 0.000 0.445 216 Q N -2.125 117.713 119.800 0.063 0.000 2.259 216 Q HA 0.041 4.381 4.340 0.001 0.000 0.201 216 Q C 2.012 178.060 176.000 0.080 0.000 0.938 216 Q CA 1.056 56.920 55.803 0.102 0.000 0.872 216 Q CB -0.152 28.707 28.738 0.202 0.000 0.971 216 Q HN 0.563 nan 8.270 nan 0.000 0.494 217 M N 1.587 121.201 119.600 0.024 0.000 2.175 217 M HA -0.170 4.310 4.480 0.001 0.000 0.264 217 M C 1.844 178.150 176.300 0.011 0.000 1.063 217 M CA 1.590 56.891 55.300 0.001 0.000 1.119 217 M CB -0.196 32.309 32.600 -0.159 0.000 1.377 217 M HN 0.186 nan 8.290 nan 0.000 0.415 218 E N -0.360 119.833 120.200 -0.012 0.000 2.070 218 E HA -0.273 4.078 4.350 0.001 0.000 0.197 218 E C 1.468 177.967 176.600 -0.168 0.000 1.004 218 E CA 1.873 58.260 56.400 -0.022 0.000 0.805 218 E CB -0.183 29.562 29.700 0.076 0.000 0.744 218 E HN 0.559 nan 8.360 nan 0.000 0.451 219 N N -0.675 117.865 118.700 -0.267 0.000 2.376 219 N HA -0.094 4.646 4.740 0.001 0.000 0.177 219 N C 1.185 176.425 175.510 -0.451 0.000 1.024 219 N CA 0.880 53.491 53.050 -0.732 0.000 0.893 219 N CB -0.328 37.582 38.487 -0.962 0.000 0.980 219 N HN 0.367 nan 8.380 nan 0.000 0.439 220 W N 1.784 122.982 121.300 -0.170 0.000 2.408 220 W HA 0.045 4.706 4.660 0.001 0.000 0.311 220 W C 2.307 178.840 176.519 0.024 0.000 1.190 220 W CA 0.876 58.238 57.345 0.029 0.000 1.321 220 W CB -0.316 29.174 29.460 0.050 0.000 1.143 220 W HN -0.130 nan 8.180 nan 0.000 0.501 221 M N 0.937 120.639 119.600 0.170 0.000 2.073 221 M HA -0.210 4.271 4.480 0.001 0.000 0.258 221 M C 2.002 178.304 176.300 0.005 0.000 1.070 221 M CA 2.815 58.119 55.300 0.006 0.000 1.103 221 M CB -1.365 31.251 32.600 0.026 0.000 1.321 221 M HN 0.093 nan 8.290 nan 0.000 0.405 222 V N -2.255 117.628 119.914 -0.052 0.000 2.358 222 V HA -0.212 3.909 4.120 0.001 0.000 0.246 222 V C 2.090 178.224 176.094 0.066 0.000 1.047 222 V CA 1.413 63.708 62.300 -0.009 0.000 1.035 222 V CB -1.640 30.108 31.823 -0.125 0.000 0.658 222 V HN 0.509 nan 8.190 nan 0.000 0.452 223 W N 0.461 121.727 121.300 -0.056 0.000 2.402 223 W HA 0.081 4.741 4.660 0.001 0.000 0.286 223 W C 2.633 179.025 176.519 -0.212 0.000 1.221 223 W CA 1.037 58.319 57.345 -0.105 0.000 1.257 223 W CB -1.141 28.256 29.460 -0.105 0.000 1.120 223 W HN 0.203 nan 8.180 nan 0.000 0.551 224 V N 1.004 120.821 119.914 -0.162 0.000 2.427 224 V HA -0.288 3.833 4.120 0.001 0.000 0.248 224 V C 2.414 178.344 176.094 -0.273 0.000 1.051 224 V CA 2.110 64.175 62.300 -0.392 0.000 1.048 224 V CB -0.848 30.465 31.823 -0.850 0.000 0.666 224 V HN 0.257 nan 8.190 nan 0.000 0.456 225 N N 0.224 118.891 118.700 -0.055 0.000 2.142 225 N HA -0.206 4.534 4.740 0.001 0.000 0.186 225 N C 1.546 177.100 175.510 0.074 0.000 1.023 225 N CA 1.716 54.770 53.050 0.005 0.000 0.852 225 N CB -0.156 38.513 38.487 0.304 0.000 0.998 225 N HN 0.433 nan 8.380 nan 0.000 0.424 226 D N 0.987 121.465 120.400 0.131 0.000 2.123 226 D HA -0.161 4.480 4.640 0.001 0.000 0.196 226 D C 2.025 178.431 176.300 0.176 0.000 0.992 226 D CA 0.599 54.705 54.000 0.176 0.000 0.833 226 D CB -0.173 40.748 40.800 0.201 0.000 0.954 226 D HN 0.259 nan 8.370 nan 0.000 0.455 227 L N 0.780 122.049 121.223 0.078 0.000 1.976 227 L HA -0.144 4.197 4.340 0.001 0.000 0.209 227 L C 2.284 179.299 176.870 0.242 0.000 1.071 227 L CA 1.546 56.436 54.840 0.084 0.000 0.746 227 L CB -0.548 41.457 42.059 -0.091 0.000 0.890 227 L HN -0.069 nan 8.230 nan 0.000 0.432 228 M N -1.201 118.426 119.600 0.045 0.000 2.202 228 M HA -0.143 4.337 4.480 0.001 0.000 0.262 228 M C 2.212 178.675 176.300 0.272 0.000 1.063 228 M CA 1.431 56.795 55.300 0.107 0.000 1.097 228 M CB -1.372 31.011 32.600 -0.362 0.000 1.382 228 M HN 0.293 nan 8.290 nan 0.000 0.413 229 S N 0.209 116.071 115.700 0.269 0.000 2.489 229 S HA -0.026 4.444 4.470 0.001 0.000 0.228 229 S C 1.495 176.289 174.600 0.322 0.000 0.995 229 S CA 0.142 58.566 58.200 0.373 0.000 0.934 229 S CB -0.508 62.909 63.200 0.362 0.000 0.771 229 S HN 0.383 nan 8.310 nan 0.000 0.522 230 F N 1.557 121.645 119.950 0.230 0.000 2.236 230 F HA -0.203 4.324 4.527 0.001 0.000 0.302 230 F C 1.872 177.828 175.800 0.259 0.000 1.073 230 F CA 1.091 59.242 58.000 0.252 0.000 1.336 230 F CB -0.347 38.827 39.000 0.289 0.000 1.040 230 F HN 0.291 nan 8.300 nan 0.000 0.507 231 Y N 1.789 122.063 120.300 -0.043 0.000 2.206 231 Y HA -0.119 4.431 4.550 0.001 0.000 0.292 231 Y C 2.464 178.186 175.900 -0.297 0.000 1.123 231 Y CA 2.222 60.071 58.100 -0.418 0.000 1.142 231 Y CB -0.780 37.304 38.460 -0.627 0.000 1.006 231 Y HN 0.186 nan 8.280 nan 0.000 0.518 232 K N -0.129 120.061 120.400 -0.349 0.000 2.097 232 K HA -0.143 4.178 4.320 0.001 0.000 0.205 232 K C 1.614 178.051 176.600 -0.272 0.000 1.050 232 K CA 1.993 58.044 56.287 -0.392 0.000 0.938 232 K CB -0.456 31.935 32.500 -0.181 0.000 0.718 232 K HN 0.357 nan 8.250 nan 0.000 0.442 233 E N -0.004 120.105 120.200 -0.152 0.000 2.427 233 E HA -0.069 4.282 4.350 0.001 0.000 0.196 233 E C 1.442 177.948 176.600 -0.156 0.000 1.028 233 E CA 0.152 56.484 56.400 -0.113 0.000 0.864 233 E CB -0.164 29.523 29.700 -0.020 0.000 0.813 233 E HN 0.248 nan 8.360 nan 0.000 0.514 234 F N 2.182 121.889 119.950 -0.404 0.000 2.063 234 F HA -0.271 4.257 4.527 0.001 0.000 0.298 234 F C 1.609 177.271 175.800 -0.230 0.000 1.109 234 F CA 1.768 59.529 58.000 -0.397 0.000 1.212 234 F CB 0.169 38.949 39.000 -0.367 0.000 0.973 234 F HN -0.059 nan 8.300 nan 0.000 0.480 235 D N -0.690 119.611 120.400 -0.165 0.000 2.363 235 D HA 0.008 4.648 4.640 0.001 0.000 0.214 235 D C -0.223 175.981 176.300 -0.160 0.000 1.093 235 D CA 0.165 54.054 54.000 -0.186 0.000 0.837 235 D CB -0.454 40.289 40.800 -0.094 0.000 0.948 235 D HN 0.244 nan 8.370 nan 0.000 0.507 236 D N 1.254 121.559 120.400 -0.157 0.000 2.416 236 D HA -0.001 4.640 4.640 0.001 0.000 0.240 236 D C 1.063 177.301 176.300 -0.104 0.000 1.250 236 D CA 0.176 54.103 54.000 -0.122 0.000 0.967 236 D CB 0.337 41.070 40.800 -0.112 0.000 1.059 236 D HN 0.034 nan 8.370 nan 0.000 0.512 237 E N 2.099 122.243 120.200 -0.094 0.000 2.401 237 E HA -0.140 4.211 4.350 0.001 0.000 0.199 237 E C 1.565 178.130 176.600 -0.058 0.000 1.023 237 E CA 0.423 56.777 56.400 -0.077 0.000 0.859 237 E CB 0.369 30.029 29.700 -0.068 0.000 0.780 237 E HN 0.448 nan 8.360 nan 0.000 0.523 238 R N 0.893 121.358 120.500 -0.057 0.000 2.062 238 R HA -0.050 4.290 4.340 0.001 0.000 0.226 238 R C 0.730 177.008 176.300 -0.037 0.000 1.125 238 R CA 0.696 56.769 56.100 -0.045 0.000 0.966 238 R CB -0.009 30.262 30.300 -0.048 0.000 0.861 238 R HN -0.004 nan 8.270 nan 0.000 0.433 239 D N 0.798 121.172 120.400 -0.043 0.000 2.348 239 D HA -0.031 4.609 4.640 0.001 0.000 0.259 239 D C 0.321 176.606 176.300 -0.025 0.000 1.296 239 D CA 0.364 54.347 54.000 -0.028 0.000 0.931 239 D CB 0.814 41.596 40.800 -0.030 0.000 1.067 239 D HN 0.089 nan 8.370 nan 0.000 0.503 240 Q N 2.552 122.346 119.800 -0.010 0.000 2.350 240 Q HA 0.194 4.534 4.340 0.001 0.000 0.225 240 Q C 0.766 176.771 176.000 0.008 0.000 0.878 240 Q CA 0.268 56.068 55.803 -0.006 0.000 0.935 240 Q CB 0.645 29.381 28.738 -0.002 0.000 1.099 240 Q HN 0.712 nan 8.270 nan 0.000 0.527 241 I N -1.276 119.306 120.570 0.020 0.000 3.399 241 I HA 0.380 4.551 4.170 0.001 0.000 0.345 241 I C 0.078 176.208 176.117 0.021 0.000 1.512 241 I CA -0.822 60.494 61.300 0.028 0.000 1.047 241 I CB 0.420 38.452 38.000 0.054 0.000 1.552 241 I HN -0.145 nan 8.210 nan 0.000 0.494 242 S N 0.593 116.309 115.700 0.025 0.000 2.600 242 S HA 0.165 4.635 4.470 0.001 0.000 0.265 242 S C 1.039 175.630 174.600 -0.014 0.000 1.325 242 S CA -0.633 57.587 58.200 0.033 0.000 1.002 242 S CB 1.799 65.046 63.200 0.078 0.000 0.921 242 S HN 0.512 nan 8.310 nan 0.000 0.554 243 L N 2.120 123.317 121.223 -0.043 0.000 2.129 243 L HA -0.082 4.259 4.340 0.001 0.000 0.212 243 L C 2.115 178.786 176.870 -0.332 0.000 1.087 243 L CA 1.695 56.412 54.840 -0.205 0.000 0.757 243 L CB -0.751 41.229 42.059 -0.132 0.000 0.896 243 L HN 0.695 nan 8.230 nan 0.000 0.434 244 V N -0.765 119.115 119.914 -0.055 0.000 2.407 244 V HA -0.183 3.937 4.120 0.001 0.000 0.245 244 V C 2.485 178.649 176.094 0.118 0.000 1.041 244 V CA 1.661 64.016 62.300 0.091 0.000 1.040 244 V CB -0.623 31.353 31.823 0.256 0.000 0.671 244 V HN 0.415 nan 8.190 nan 0.000 0.455 245 K N 0.434 120.886 120.400 0.088 0.000 2.211 245 K HA -0.128 4.192 4.320 0.001 0.000 0.203 245 K C 1.936 178.568 176.600 0.052 0.000 1.050 245 K CA 1.312 57.643 56.287 0.074 0.000 0.945 245 K CB -0.244 32.282 32.500 0.043 0.000 0.732 245 K HN 0.426 nan 8.250 nan 0.000 0.451 246 N N 0.372 119.077 118.700 0.009 0.000 2.171 246 N HA -0.123 4.618 4.740 0.001 0.000 0.184 246 N C 1.649 177.222 175.510 0.106 0.000 1.021 246 N CA 1.099 54.161 53.050 0.020 0.000 0.854 246 N CB -0.394 38.081 38.487 -0.020 0.000 0.994 246 N HN 0.171 nan 8.380 nan 0.000 0.426 247 Y N 1.268 121.610 120.300 0.071 0.000 2.207 247 Y HA -0.078 4.472 4.550 0.001 0.000 0.287 247 Y C 2.446 178.373 175.900 0.045 0.000 1.156 247 Y CA 0.173 58.305 58.100 0.055 0.000 1.182 247 Y CB -0.890 37.587 38.460 0.028 0.000 0.979 247 Y HN -0.169 nan 8.280 nan 0.000 0.521 248 V N -1.161 118.881 119.914 0.214 0.000 2.295 248 V HA -0.273 3.848 4.120 0.001 0.000 0.246 248 V C 2.285 178.441 176.094 0.103 0.000 1.049 248 V CA 1.772 64.153 62.300 0.135 0.000 1.024 248 V CB -0.915 30.976 31.823 0.113 0.000 0.648 248 V HN 0.207 nan 8.190 nan 0.000 0.447 249 V N -0.779 119.186 119.914 0.085 0.000 2.323 249 V HA -0.168 3.953 4.120 0.001 0.000 0.244 249 V C 2.513 178.652 176.094 0.075 0.000 1.041 249 V CA 2.173 64.504 62.300 0.053 0.000 1.025 249 V CB -0.434 31.384 31.823 -0.007 0.000 0.656 249 V HN 0.507 nan 8.190 nan 0.000 0.451 250 S N -0.079 115.687 115.700 0.109 0.000 2.371 250 S HA -0.151 4.320 4.470 0.001 0.000 0.224 250 S C 1.616 176.376 174.600 0.267 0.000 1.029 250 S CA 1.429 59.731 58.200 0.170 0.000 0.978 250 S CB -0.246 63.092 63.200 0.230 0.000 0.833 250 S HN 0.612 nan 8.310 nan 0.000 0.466 251 D N 0.527 121.056 120.400 0.216 0.000 2.346 251 D HA 0.074 4.714 4.640 0.001 0.000 0.206 251 D C -0.131 176.215 176.300 0.076 0.000 1.001 251 D CA 0.244 54.306 54.000 0.103 0.000 0.871 251 D CB -0.047 40.717 40.800 -0.060 0.000 0.943 251 D HN 0.452 nan 8.370 nan 0.000 0.518 252 E N 0.467 120.724 120.200 0.094 0.000 2.264 252 E HA -0.178 4.172 4.350 0.001 0.000 0.223 252 E C -0.003 176.623 176.600 0.043 0.000 1.220 252 E CA 0.122 56.566 56.400 0.073 0.000 0.692 252 E CB -2.047 27.703 29.700 0.083 0.000 1.203 252 E HN 0.517 nan 8.360 nan 0.000 0.384 253 I N -3.162 117.433 120.570 0.043 0.000 3.145 253 I HA 0.638 4.808 4.170 0.001 0.000 0.313 253 I C 0.506 176.657 176.117 0.057 0.000 1.122 253 I CA -1.096 60.222 61.300 0.029 0.000 0.987 253 I CB 2.004 39.999 38.000 -0.008 0.000 1.236 253 I HN 0.061 nan 8.210 nan 0.000 0.453 254 S N 2.143 117.882 115.700 0.064 0.000 2.592 254 S HA 0.160 4.631 4.470 0.001 0.000 0.271 254 S C 0.878 175.555 174.600 0.128 0.000 1.326 254 S CA -0.575 57.683 58.200 0.097 0.000 1.024 254 S CB 1.433 64.701 63.200 0.114 0.000 0.921 254 S HN 0.778 nan 8.310 nan 0.000 0.527 255 L N 1.634 122.953 121.223 0.159 0.000 2.081 255 L HA -0.114 4.226 4.340 0.001 0.000 0.212 255 L C 2.276 179.289 176.870 0.237 0.000 1.080 255 L CA 2.514 57.483 54.840 0.215 0.000 0.754 255 L CB -1.556 40.651 42.059 0.247 0.000 0.893 255 L HN 1.064 nan 8.230 nan 0.000 0.433 256 H N -0.166 118.989 119.070 0.141 0.000 2.293 256 H HA -0.136 4.420 4.556 0.001 0.000 0.300 256 H C 2.075 177.443 175.328 0.067 0.000 1.082 256 H CA 2.298 58.415 56.048 0.115 0.000 1.308 256 H CB -0.029 29.773 29.762 0.067 0.000 1.375 256 H HN 0.525 nan 8.280 nan 0.000 0.495 257 E N 0.077 120.254 120.200 -0.039 0.000 2.085 257 E HA -0.205 4.145 4.350 0.001 0.000 0.194 257 E C 2.423 178.942 176.600 -0.135 0.000 0.994 257 E CA 0.813 57.136 56.400 -0.128 0.000 0.801 257 E CB -0.253 29.422 29.700 -0.041 0.000 0.743 257 E HN 0.611 nan 8.360 nan 0.000 0.453 258 A N 1.696 124.495 122.820 -0.035 0.000 1.883 258 A HA -0.194 4.127 4.320 0.001 0.000 0.217 258 A C 2.232 179.802 177.584 -0.022 0.000 1.186 258 A CA 1.334 53.385 52.037 0.024 0.000 0.624 258 A CB -0.627 18.480 19.000 0.177 0.000 0.822 258 A HN 0.238 nan 8.150 nan 0.000 0.444 259 L N -0.024 121.151 121.223 -0.081 0.000 2.131 259 L HA -0.123 4.218 4.340 0.001 0.000 0.210 259 L C 2.073 178.811 176.870 -0.220 0.000 1.092 259 L CA 2.224 56.921 54.840 -0.238 0.000 0.759 259 L CB -0.590 41.258 42.059 -0.352 0.000 0.903 259 L HN 0.527 nan 8.230 nan 0.000 0.435 260 E N -0.574 119.503 120.200 -0.205 0.000 2.072 260 E HA -0.265 4.085 4.350 0.001 0.000 0.191 260 E C 2.108 178.599 176.600 -0.182 0.000 0.985 260 E CA 1.218 57.522 56.400 -0.160 0.000 0.801 260 E CB -0.073 29.483 29.700 -0.240 0.000 0.750 260 E HN 0.464 nan 8.360 nan 0.000 0.452 261 K N 0.811 121.073 120.400 -0.229 0.000 2.026 261 K HA -0.201 4.120 4.320 0.001 0.000 0.208 261 K C 2.280 178.695 176.600 -0.309 0.000 1.048 261 K CA 0.995 57.104 56.287 -0.298 0.000 0.929 261 K CB -0.143 32.077 32.500 -0.467 0.000 0.713 261 K HN 0.022 nan 8.250 nan 0.000 0.439 262 L N 1.346 122.426 121.223 -0.238 0.000 2.012 262 L HA -0.204 4.136 4.340 0.001 0.000 0.210 262 L C 2.323 178.987 176.870 -0.344 0.000 1.073 262 L CA 2.681 57.349 54.840 -0.287 0.000 0.748 262 L CB -1.103 40.858 42.059 -0.163 0.000 0.891 262 L HN 0.468 nan 8.230 nan 0.000 0.431 263 T N -3.321 111.061 114.554 -0.287 0.000 2.746 263 T HA -0.236 4.115 4.350 0.001 0.000 0.267 263 T C 1.799 176.366 174.700 -0.221 0.000 1.039 263 T CA 1.514 63.452 62.100 -0.269 0.000 1.142 263 T CB -0.657 68.051 68.868 -0.266 0.000 0.866 263 T HN 0.557 nan 8.240 nan 0.000 0.444 264 Q N 0.882 120.566 119.800 -0.193 0.000 2.096 264 Q HA -0.130 4.211 4.340 0.001 0.000 0.204 264 Q C 2.268 178.176 176.000 -0.153 0.000 0.982 264 Q CA 1.653 57.372 55.803 -0.139 0.000 0.850 264 Q CB -0.227 28.438 28.738 -0.122 0.000 0.901 264 Q HN 0.597 nan 8.270 nan 0.000 0.422 265 D N -0.153 120.043 120.400 -0.339 0.000 2.117 265 D HA -0.093 4.548 4.640 0.001 0.000 0.198 265 D C 1.893 178.001 176.300 -0.320 0.000 0.982 265 D CA 1.408 55.087 54.000 -0.534 0.000 0.828 265 D CB -0.061 39.952 40.800 -1.310 0.000 0.967 265 D HN 0.202 nan 8.370 nan 0.000 0.464 266 T N 1.782 116.161 114.554 -0.292 0.000 2.674 266 T HA -0.091 4.259 4.350 0.001 0.000 0.265 266 T C 2.297 177.001 174.700 0.007 0.000 1.039 266 T CA 0.624 62.690 62.100 -0.058 0.000 1.150 266 T CB -0.354 68.418 68.868 -0.160 0.000 0.864 266 T HN 0.101 nan 8.240 nan 0.000 0.427 267 L N -0.012 121.143 121.223 -0.113 0.000 2.012 267 L HA -0.170 4.171 4.340 0.001 0.000 0.210 267 L C 2.570 179.445 176.870 0.008 0.000 1.073 267 L CA 1.897 56.599 54.840 -0.230 0.000 0.748 267 L CB -0.726 41.124 42.059 -0.349 0.000 0.891 267 L HN 0.481 nan 8.230 nan 0.000 0.431 268 H N -0.879 118.193 119.070 0.002 0.000 2.321 268 H HA -0.210 4.347 4.556 0.001 0.000 0.300 268 H C 2.621 178.076 175.328 0.211 0.000 1.087 268 H CA 1.373 57.491 56.048 0.116 0.000 1.319 268 H CB 0.272 30.081 29.762 0.078 0.000 1.379 268 H HN 0.220 nan 8.280 nan 0.000 0.501 269 S N -0.384 115.532 115.700 0.360 0.000 2.374 269 S HA -0.206 4.265 4.470 0.001 0.000 0.227 269 S C 2.257 177.141 174.600 0.473 0.000 1.037 269 S CA 1.737 60.187 58.200 0.416 0.000 1.024 269 S CB -0.364 63.197 63.200 0.602 0.000 0.861 269 S HN 0.550 nan 8.310 nan 0.000 0.456 270 S N 1.432 117.437 115.700 0.508 0.000 2.343 270 S HA -0.125 4.346 4.470 0.001 0.000 0.219 270 S C 1.888 176.713 174.600 0.375 0.000 1.033 270 S CA 1.502 59.980 58.200 0.464 0.000 1.014 270 S CB -0.579 62.889 63.200 0.447 0.000 0.915 270 S HN 0.658 nan 8.310 nan 0.000 0.435 271 K N 0.854 121.540 120.400 0.475 0.000 2.044 271 K HA -0.204 4.117 4.320 0.001 0.000 0.210 271 K C 2.198 178.965 176.600 0.279 0.000 1.049 271 K CA 1.474 58.017 56.287 0.425 0.000 0.927 271 K CB -0.135 32.633 32.500 0.448 0.000 0.713 271 K HN 0.175 nan 8.250 nan 0.000 0.443 272 Q N 0.119 120.108 119.800 0.315 0.000 2.167 272 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 272 Q C 1.955 178.064 176.000 0.182 0.000 0.970 272 Q CA 1.215 57.158 55.803 0.233 0.000 0.855 272 Q CB -0.284 28.612 28.738 0.263 0.000 0.911 272 Q HN 0.366 nan 8.270 nan 0.000 0.438 273 M N 0.073 119.801 119.600 0.214 0.000 2.067 273 M HA -0.131 4.350 4.480 0.001 0.000 0.260 273 M C 1.956 178.408 176.300 0.253 0.000 1.069 273 M CA 1.435 56.873 55.300 0.231 0.000 1.117 273 M CB -0.547 32.075 32.600 0.038 0.000 1.334 273 M HN -0.026 nan 8.290 nan 0.000 0.407 274 V N 0.668 120.678 119.914 0.159 0.000 2.261 274 V HA -0.203 3.918 4.120 0.001 0.000 0.246 274 V C 2.369 178.523 176.094 0.100 0.000 1.047 274 V CA 1.838 64.216 62.300 0.130 0.000 1.015 274 V CB -1.820 30.070 31.823 0.112 0.000 0.642 274 V HN 0.648 nan 8.190 nan 0.000 0.446 275 A N -1.019 121.850 122.820 0.081 0.000 2.277 275 A HA 0.046 4.367 4.320 0.001 0.000 0.208 275 A C 1.882 179.447 177.584 -0.032 0.000 1.202 275 A CA 1.440 53.497 52.037 0.033 0.000 0.762 275 A CB -0.342 18.688 19.000 0.049 0.000 0.770 275 A HN 0.402 nan 8.150 nan 0.000 0.487 276 V N -3.280 116.580 119.914 -0.090 0.000 3.431 276 V HA 0.139 4.259 4.120 0.001 0.000 0.255 276 V C 1.154 176.927 176.094 -0.534 0.000 1.403 276 V CA 0.464 62.558 62.300 -0.343 0.000 1.101 276 V CB -0.234 31.277 31.823 -0.521 0.000 0.891 276 V HN 0.501 nan 8.190 nan 0.000 0.446 277 F N -0.036 119.913 119.950 -0.001 0.000 2.721 277 F HA 0.222 4.749 4.527 0.001 0.000 0.301 277 F C 2.264 178.067 175.800 0.005 0.000 1.096 277 F CA 0.460 58.458 58.000 -0.003 0.000 1.308 277 F CB -0.078 38.917 39.000 -0.008 0.000 1.086 277 F HN -0.056 nan 8.300 nan 0.000 0.587 278 S N 0.166 115.936 115.700 0.117 0.000 2.378 278 S HA -0.215 4.255 4.470 0.001 0.000 0.221 278 S C 1.151 175.788 174.600 0.062 0.000 1.037 278 S CA 1.823 60.072 58.200 0.082 0.000 1.069 278 S CB -0.662 62.569 63.200 0.051 0.000 1.006 278 S HN 0.504 nan 8.310 nan 0.000 0.423 279 D N 1.577 121.993 120.400 0.027 0.000 2.885 279 D HA 0.241 4.881 4.640 0.001 0.000 0.234 279 D C -0.142 176.169 176.300 0.018 0.000 1.129 279 D CA 0.189 54.199 54.000 0.017 0.000 0.991 279 D CB -0.043 40.755 40.800 -0.003 0.000 1.137 279 D HN 0.021 nan 8.370 nan 0.000 0.459 280 K N 0.285 120.719 120.400 0.056 0.000 2.482 280 K HA 0.180 4.500 4.320 0.001 0.000 0.257 280 K C -0.746 175.911 176.600 0.095 0.000 0.969 280 K CA -0.900 55.432 56.287 0.075 0.000 0.842 280 K CB 1.558 34.145 32.500 0.143 0.000 1.359 280 K HN -0.046 nan 8.250 nan 0.000 0.441 281 D N 2.804 123.256 120.400 0.087 0.000 3.061 281 D HA -0.099 4.542 4.640 0.001 0.000 0.226 281 D C -1.595 174.775 176.300 0.118 0.000 1.168 281 D CA -0.386 53.667 54.000 0.090 0.000 0.822 281 D CB 0.762 41.620 40.800 0.097 0.000 1.152 281 D HN 0.144 nan 8.370 nan 0.000 0.555 282 P HA -0.236 nan 4.420 nan 0.000 0.217 282 P C 1.408 178.777 177.300 0.115 0.000 1.162 282 P CA 1.663 64.814 63.100 0.086 0.000 0.901 282 P CB -0.010 31.721 31.700 0.052 0.000 0.793 283 Q N -0.344 119.523 119.800 0.110 0.000 2.152 283 Q HA -0.181 4.159 4.340 0.001 0.000 0.206 283 Q C 1.814 178.035 176.000 0.367 0.000 0.985 283 Q CA 1.758 57.646 55.803 0.142 0.000 0.863 283 Q CB -0.445 28.295 28.738 0.003 0.000 0.904 283 Q HN 0.063 nan 8.270 nan 0.000 0.422 284 V N 0.627 120.792 119.914 0.418 0.000 2.283 284 V HA -0.249 3.872 4.120 0.001 0.000 0.243 284 V C 2.310 178.584 176.094 0.300 0.000 1.039 284 V CA 1.755 64.360 62.300 0.508 0.000 1.016 284 V CB -0.525 31.463 31.823 0.276 0.000 0.650 284 V HN 0.500 nan 8.190 nan 0.000 0.449 285 M N 1.011 120.729 119.600 0.197 0.000 2.279 285 M HA -0.160 4.321 4.480 0.001 0.000 0.264 285 M C 1.573 177.903 176.300 0.051 0.000 1.062 285 M CA 1.987 57.356 55.300 0.115 0.000 1.099 285 M CB -0.848 31.834 32.600 0.136 0.000 1.394 285 M HN 0.411 nan 8.290 nan 0.000 0.426 286 D N -0.964 119.488 120.400 0.087 0.000 2.084 286 D HA -0.134 4.506 4.640 0.001 0.000 0.196 286 D C 1.606 177.909 176.300 0.006 0.000 0.985 286 D CA 2.031 56.059 54.000 0.046 0.000 0.826 286 D CB -0.251 40.590 40.800 0.068 0.000 0.978 286 D HN 0.411 nan 8.370 nan 0.000 0.456 287 T N 0.253 114.835 114.554 0.046 0.000 2.684 287 T HA -0.139 4.212 4.350 0.001 0.000 0.267 287 T C 2.068 176.630 174.700 -0.230 0.000 1.036 287 T CA 1.176 63.213 62.100 -0.105 0.000 1.148 287 T CB -0.293 68.426 68.868 -0.249 0.000 0.863 287 T HN 0.198 nan 8.240 nan 0.000 0.436 288 I N 0.565 121.011 120.570 -0.207 0.000 2.202 288 I HA -0.153 4.018 4.170 0.001 0.000 0.242 288 I C 2.738 178.690 176.117 -0.275 0.000 1.091 288 I CA 1.471 62.593 61.300 -0.297 0.000 1.368 288 I CB -0.391 37.373 38.000 -0.393 0.000 1.058 288 I HN 0.335 nan 8.210 nan 0.000 0.410 289 E N 0.350 120.408 120.200 -0.237 0.000 2.110 289 E HA -0.236 4.114 4.350 0.001 0.000 0.193 289 E C 2.369 178.716 176.600 -0.422 0.000 0.988 289 E CA 1.496 57.687 56.400 -0.347 0.000 0.804 289 E CB 0.006 29.573 29.700 -0.223 0.000 0.745 289 E HN 0.487 nan 8.360 nan 0.000 0.458 290 C N 0.087 119.270 119.300 -0.195 0.000 2.446 290 C HA -0.077 4.384 4.460 0.001 0.000 0.277 290 C C 2.307 177.259 174.990 -0.063 0.000 1.275 290 C CA 0.536 59.507 59.018 -0.079 0.000 1.727 290 C CB -1.201 26.536 27.740 -0.004 0.000 2.010 290 C HN 0.586 nan 8.230 nan 0.000 0.486 291 F N 1.453 121.246 119.950 -0.261 0.000 2.069 291 F HA -0.218 4.309 4.527 0.001 0.000 0.298 291 F C 2.296 178.027 175.800 -0.114 0.000 1.113 291 F CA 1.885 59.713 58.000 -0.286 0.000 1.214 291 F CB -0.580 38.107 39.000 -0.523 0.000 0.978 291 F HN 0.144 nan 8.300 nan 0.000 0.474 292 M N -0.583 118.814 119.600 -0.339 0.000 2.082 292 M HA -0.289 4.191 4.480 0.001 0.000 0.258 292 M C 2.287 178.664 176.300 0.128 0.000 1.069 292 M CA 2.362 57.461 55.300 -0.336 0.000 1.102 292 M CB -1.095 31.094 32.600 -0.686 0.000 1.336 292 M HN 0.314 nan 8.290 nan 0.000 0.404 293 H N -1.097 118.033 119.070 0.099 0.000 2.326 293 H HA -0.068 4.489 4.556 0.001 0.000 0.301 293 H C 2.305 177.795 175.328 0.269 0.000 1.081 293 H CA 0.836 57.044 56.048 0.268 0.000 1.334 293 H CB -0.366 29.469 29.762 0.122 0.000 1.385 293 H HN 0.491 nan 8.280 nan 0.000 0.504 294 G N 0.110 109.069 108.800 0.266 0.000 2.418 294 G HA2 -0.340 3.621 3.960 0.001 0.000 0.217 294 G HA3 -0.340 3.621 3.960 0.001 0.000 0.217 294 G C 1.476 176.545 174.900 0.282 0.000 1.158 294 G CA 0.844 46.090 45.100 0.242 0.000 0.771 294 G HN 0.387 nan 8.290 nan 0.000 0.545 295 Y N 1.151 121.421 120.300 -0.049 0.000 2.165 295 Y HA -0.165 4.386 4.550 0.001 0.000 0.286 295 Y C 2.917 178.988 175.900 0.285 0.000 1.155 295 Y CA 1.606 59.696 58.100 -0.016 0.000 1.164 295 Y CB -0.328 37.889 38.460 -0.405 0.000 0.978 295 Y HN 0.053 nan 8.280 nan 0.000 0.513 296 V N -0.974 119.118 119.914 0.298 0.000 2.358 296 V HA -0.288 3.833 4.120 0.001 0.000 0.246 296 V C 2.236 178.373 176.094 0.072 0.000 1.047 296 V CA 2.254 64.618 62.300 0.106 0.000 1.035 296 V CB -1.038 30.789 31.823 0.006 0.000 0.658 296 V HN 0.439 nan 8.190 nan 0.000 0.452 297 T N -1.046 113.637 114.554 0.215 0.000 2.652 297 T HA -0.291 4.060 4.350 0.001 0.000 0.267 297 T C 1.438 176.267 174.700 0.215 0.000 1.039 297 T CA 2.138 64.368 62.100 0.218 0.000 1.153 297 T CB -0.444 68.602 68.868 0.296 0.000 0.863 297 T HN 0.691 nan 8.240 nan 0.000 0.428 298 W N 2.124 123.483 121.300 0.100 0.000 2.304 298 W HA -0.223 4.437 4.660 0.001 0.000 0.315 298 W C 2.315 178.739 176.519 -0.159 0.000 1.233 298 W CA 1.468 58.778 57.345 -0.060 0.000 1.261 298 W CB -0.803 28.557 29.460 -0.166 0.000 1.150 298 W HN 0.428 nan 8.180 nan 0.000 0.494 299 H N -0.342 118.528 119.070 -0.333 0.000 2.290 299 H HA -0.175 4.381 4.556 0.001 0.000 0.298 299 H C 2.318 177.456 175.328 -0.315 0.000 1.087 299 H CA 2.349 58.023 56.048 -0.623 0.000 1.291 299 H CB -0.828 28.561 29.762 -0.622 0.000 1.369 299 H HN 0.212 nan 8.280 nan 0.000 0.492 300 L N -0.407 120.754 121.223 -0.103 0.000 2.191 300 L HA -0.193 4.147 4.340 0.001 0.000 0.212 300 L C 2.775 179.508 176.870 -0.228 0.000 1.103 300 L CA 0.759 55.499 54.840 -0.167 0.000 0.769 300 L CB -0.188 41.671 42.059 -0.333 0.000 0.908 300 L HN 0.296 nan 8.230 nan 0.000 0.438 301 C N -1.592 117.603 119.300 -0.175 0.000 2.519 301 C HA 0.008 4.468 4.460 0.001 0.000 0.281 301 C C 1.285 176.218 174.990 -0.095 0.000 1.331 301 C CA -0.629 58.318 59.018 -0.118 0.000 1.725 301 C CB -0.340 27.399 27.740 -0.001 0.000 2.079 301 C HN 0.380 nan 8.230 nan 0.000 0.496 302 D N 1.012 121.284 120.400 -0.213 0.000 2.450 302 D HA 0.004 4.644 4.640 0.001 0.000 0.247 302 D C 0.895 177.122 176.300 -0.123 0.000 1.162 302 D CA 0.205 54.070 54.000 -0.225 0.000 0.879 302 D CB 0.512 40.981 40.800 -0.552 0.000 1.163 302 D HN 0.375 nan 8.370 nan 0.000 0.472 303 R N 3.240 123.691 120.500 -0.082 0.000 2.293 303 R HA -0.147 4.193 4.340 0.001 0.000 0.219 303 R C 1.974 178.197 176.300 -0.129 0.000 1.091 303 R CA 0.596 56.662 56.100 -0.056 0.000 1.004 303 R CB 0.115 30.395 30.300 -0.033 0.000 0.865 303 R HN 0.472 nan 8.270 nan 0.000 0.469 304 K N 0.572 120.812 120.400 -0.267 0.000 2.057 304 K HA -0.179 4.141 4.320 0.001 0.000 0.207 304 K C 0.955 177.219 176.600 -0.559 0.000 1.049 304 K CA 1.475 57.480 56.287 -0.471 0.000 0.931 304 K CB -0.024 32.038 32.500 -0.730 0.000 0.714 304 K HN 0.165 nan 8.250 nan 0.000 0.440 305 Y N 0.436 120.650 120.300 -0.143 0.000 2.511 305 Y HA 0.178 4.728 4.550 0.001 0.000 0.279 305 Y C 0.247 176.186 175.900 0.065 0.000 1.157 305 Y CA 0.325 58.396 58.100 -0.047 0.000 1.300 305 Y CB 0.141 38.570 38.460 -0.052 0.000 1.052 305 Y HN 0.026 nan 8.280 nan 0.000 0.529 306 R N -0.359 120.212 120.500 0.119 0.000 3.610 306 R HA -0.250 4.091 4.340 0.001 0.000 0.274 306 R C 0.692 177.169 176.300 0.295 0.000 1.123 306 R CA 0.646 56.854 56.100 0.179 0.000 0.747 306 R CB -2.287 28.091 30.300 0.130 0.000 1.149 306 R HN 0.427 nan 8.270 nan 0.000 0.471 307 L N -0.100 121.292 121.223 0.282 0.000 2.362 307 L HA -0.128 4.213 4.340 0.001 0.000 0.219 307 L C 2.455 179.528 176.870 0.339 0.000 1.134 307 L CA 1.557 56.562 54.840 0.275 0.000 0.807 307 L CB -0.326 41.961 42.059 0.379 0.000 0.927 307 L HN 0.466 nan 8.230 nan 0.000 0.447 308 S N -0.808 115.096 115.700 0.340 0.000 2.442 308 S HA -0.189 4.281 4.470 0.001 0.000 0.236 308 S C 1.607 176.296 174.600 0.149 0.000 1.007 308 S CA 0.932 59.291 58.200 0.265 0.000 0.965 308 S CB -0.184 63.153 63.200 0.228 0.000 0.773 308 S HN 0.500 nan 8.310 nan 0.000 0.504 309 E N 0.964 121.233 120.200 0.115 0.000 2.072 309 E HA 0.005 4.355 4.350 0.001 0.000 0.191 309 E C 1.951 178.524 176.600 -0.045 0.000 0.985 309 E CA 1.342 57.775 56.400 0.055 0.000 0.801 309 E CB -0.272 29.509 29.700 0.135 0.000 0.750 309 E HN 0.581 nan 8.360 nan 0.000 0.452 310 I N 0.318 120.788 120.570 -0.166 0.000 2.315 310 I HA -0.263 3.908 4.170 0.001 0.000 0.248 310 I C 2.352 178.488 176.117 0.031 0.000 1.117 310 I CA 0.934 62.111 61.300 -0.204 0.000 1.404 310 I CB -0.215 37.575 38.000 -0.351 0.000 1.071 310 I HN 0.175 nan 8.210 nan 0.000 0.419 311 Y N 2.083 122.407 120.300 0.039 0.000 2.114 311 Y HA -0.318 4.233 4.550 0.001 0.000 0.284 311 Y C 2.411 178.255 175.900 -0.093 0.000 1.143 311 Y CA 1.948 60.024 58.100 -0.041 0.000 1.135 311 Y CB -0.202 37.867 38.460 -0.653 0.000 0.980 311 Y HN 0.041 nan 8.280 nan 0.000 0.499 312 E N 0.465 120.677 120.200 0.020 0.000 2.333 312 E HA -0.145 4.206 4.350 0.001 0.000 0.198 312 E C 1.403 177.948 176.600 -0.093 0.000 1.007 312 E CA 1.235 57.614 56.400 -0.035 0.000 0.845 312 E CB -0.102 29.633 29.700 0.058 0.000 0.766 312 E HN 0.526 nan 8.360 nan 0.000 0.507 313 K N -1.030 119.316 120.400 -0.090 0.000 2.353 313 K HA 0.103 4.423 4.320 0.001 0.000 0.195 313 K C 0.861 177.409 176.600 -0.086 0.000 1.031 313 K CA 0.735 56.978 56.287 -0.073 0.000 1.079 313 K CB 1.277 33.742 32.500 -0.057 0.000 0.857 313 K HN 0.101 nan 8.250 nan 0.000 0.535 314 V N -2.832 117.008 119.914 -0.125 0.000 3.329 314 V HA 0.202 4.322 4.120 0.001 0.000 0.317 314 V C 1.405 177.406 176.094 -0.155 0.000 1.495 314 V CA -0.343 61.899 62.300 -0.097 0.000 1.105 314 V CB 0.369 32.165 31.823 -0.045 0.000 0.985 314 V HN -0.003 nan 8.190 nan 0.000 0.475 315 K N 1.590 121.806 120.400 -0.307 0.000 2.152 315 K HA -0.056 4.265 4.320 0.001 0.000 0.206 315 K C 0.679 177.165 176.600 -0.190 0.000 1.048 315 K CA 1.724 57.765 56.287 -0.410 0.000 0.933 315 K CB 0.122 32.282 32.500 -0.567 0.000 0.721 315 K HN 0.719 nan 8.250 nan 0.000 0.447 316 E N 1.321 121.445 120.200 -0.126 0.000 2.267 316 E HA 0.158 4.508 4.350 0.001 0.000 0.241 316 E C -1.392 175.180 176.600 -0.046 0.000 0.950 316 E CA -0.159 56.199 56.400 -0.070 0.000 0.776 316 E CB 1.101 30.768 29.700 -0.055 0.000 1.207 316 E HN 0.202 nan 8.360 nan 0.000 0.436 317 E N 1.604 121.785 120.200 -0.033 0.000 2.347 317 E HA 0.131 4.482 4.350 0.001 0.000 0.285 317 E C -0.423 176.174 176.600 -0.004 0.000 0.925 317 E CA -0.476 55.914 56.400 -0.016 0.000 0.779 317 E CB 1.622 31.315 29.700 -0.012 0.000 1.233 317 E HN 0.126 nan 8.360 nan 0.000 0.414 318 K N 0.675 121.075 120.400 -0.001 0.000 2.569 318 K HA 0.076 4.397 4.320 0.001 0.000 0.193 318 K C 0.264 176.871 176.600 0.012 0.000 1.026 318 K CA 0.346 56.636 56.287 0.004 0.000 1.093 318 K CB -0.028 32.474 32.500 0.003 0.000 0.849 318 K HN 0.344 nan 8.250 nan 0.000 0.509 319 T N 1.361 115.925 114.554 0.016 0.000 2.926 319 T HA -0.042 4.308 4.350 0.001 0.000 0.307 319 T C 1.306 176.027 174.700 0.035 0.000 1.059 319 T CA -0.053 62.062 62.100 0.025 0.000 1.122 319 T CB 1.499 70.383 68.868 0.028 0.000 0.972 319 T HN 0.275 nan 8.240 nan 0.000 0.545 320 E N 1.338 121.562 120.200 0.040 0.000 2.028 320 E HA -0.171 4.179 4.350 0.001 0.000 0.191 320 E C 1.200 177.844 176.600 0.074 0.000 0.988 320 E CA 1.174 57.603 56.400 0.048 0.000 0.799 320 E CB 0.113 29.842 29.700 0.047 0.000 0.755 320 E HN 0.579 nan 8.360 nan 0.000 0.447 321 D N 0.546 120.997 120.400 0.085 0.000 2.078 321 D HA -0.175 4.466 4.640 0.001 0.000 0.193 321 D C 1.942 178.336 176.300 0.156 0.000 0.990 321 D CA 1.458 55.532 54.000 0.122 0.000 0.827 321 D CB -0.619 40.237 40.800 0.094 0.000 0.975 321 D HN 0.291 nan 8.370 nan 0.000 0.451 322 A N 0.952 123.838 122.820 0.109 0.000 1.940 322 A HA -0.324 3.997 4.320 0.001 0.000 0.221 322 A C 2.136 179.814 177.584 0.156 0.000 1.190 322 A CA 2.199 54.306 52.037 0.117 0.000 0.647 322 A CB -0.825 18.205 19.000 0.050 0.000 0.821 322 A HN 0.322 nan 8.150 nan 0.000 0.457 323 Q N -1.208 118.654 119.800 0.104 0.000 2.137 323 Q HA -0.044 4.296 4.340 0.001 0.000 0.198 323 Q C 2.110 178.164 176.000 0.090 0.000 0.960 323 Q CA 1.176 57.025 55.803 0.076 0.000 0.847 323 Q CB -0.087 28.672 28.738 0.035 0.000 0.915 323 Q HN 0.648 nan 8.270 nan 0.000 0.448 324 K N 0.032 120.498 120.400 0.110 0.000 2.147 324 K HA -0.143 4.178 4.320 0.001 0.000 0.205 324 K C 1.815 178.555 176.600 0.233 0.000 1.049 324 K CA 0.940 57.268 56.287 0.069 0.000 0.936 324 K CB -0.108 32.471 32.500 0.131 0.000 0.722 324 K HN 0.102 nan 8.250 nan 0.000 0.446 325 F N 1.434 121.514 119.950 0.216 0.000 2.084 325 F HA -0.256 4.272 4.527 0.001 0.000 0.296 325 F C 2.172 178.183 175.800 0.352 0.000 1.111 325 F CA 1.235 59.422 58.000 0.312 0.000 1.224 325 F CB -0.609 38.515 39.000 0.207 0.000 0.991 325 F HN -0.022 nan 8.300 nan 0.000 0.471 326 C N 1.381 120.809 119.300 0.213 0.000 2.413 326 C HA -0.189 4.272 4.460 0.001 0.000 0.276 326 C C 2.696 177.798 174.990 0.186 0.000 1.248 326 C CA 1.324 60.467 59.018 0.208 0.000 1.742 326 C CB -1.237 26.575 27.740 0.119 0.000 2.017 326 C HN 0.464 nan 8.230 nan 0.000 0.481 327 K N 0.124 120.569 120.400 0.076 0.000 2.044 327 K HA -0.168 4.153 4.320 0.001 0.000 0.210 327 K C 1.733 178.348 176.600 0.025 0.000 1.049 327 K CA 1.636 57.917 56.287 -0.010 0.000 0.927 327 K CB -0.440 31.964 32.500 -0.159 0.000 0.713 327 K HN 0.390 nan 8.250 nan 0.000 0.443 328 F N 0.201 120.189 119.950 0.063 0.000 2.075 328 F HA -0.218 4.310 4.527 0.001 0.000 0.297 328 F C 2.477 178.280 175.800 0.006 0.000 1.113 328 F CA 1.076 59.118 58.000 0.069 0.000 1.218 328 F CB -1.054 37.940 39.000 -0.010 0.000 0.984 328 F HN 0.042 nan 8.300 nan 0.000 0.472 329 Y N 1.278 121.530 120.300 -0.080 0.000 2.081 329 Y HA -0.303 4.248 4.550 0.001 0.000 0.280 329 Y C 2.274 178.104 175.900 -0.117 0.000 1.163 329 Y CA 2.196 60.163 58.100 -0.221 0.000 1.135 329 Y CB -0.734 37.498 38.460 -0.380 0.000 0.970 329 Y HN 0.194 nan 8.280 nan 0.000 0.498 330 E N -0.497 119.849 120.200 0.243 0.000 2.265 330 E HA -0.230 4.121 4.350 0.001 0.000 0.196 330 E C 2.161 178.807 176.600 0.077 0.000 0.996 330 E CA 1.103 57.592 56.400 0.148 0.000 0.832 330 E CB -0.124 29.664 29.700 0.148 0.000 0.756 330 E HN 0.665 nan 8.360 nan 0.000 0.491 331 Q N 0.178 120.043 119.800 0.109 0.000 2.016 331 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 331 Q C 2.362 178.402 176.000 0.067 0.000 0.978 331 Q CA 1.350 57.212 55.803 0.098 0.000 0.833 331 Q CB -0.183 28.674 28.738 0.198 0.000 0.895 331 Q HN 0.274 nan 8.270 nan 0.000 0.427 332 A N 1.215 124.098 122.820 0.104 0.000 1.902 332 A HA -0.125 4.195 4.320 0.001 0.000 0.217 332 A C 2.326 179.878 177.584 -0.053 0.000 1.181 332 A CA 1.613 53.680 52.037 0.050 0.000 0.623 332 A CB -0.822 18.178 19.000 0.000 0.000 0.818 332 A HN 0.404 nan 8.150 nan 0.000 0.443 333 A N 0.519 123.264 122.820 -0.124 0.000 1.892 333 A HA -0.286 4.035 4.320 0.001 0.000 0.218 333 A C 2.034 179.605 177.584 -0.022 0.000 1.188 333 A CA 2.262 54.245 52.037 -0.090 0.000 0.631 333 A CB -0.800 18.172 19.000 -0.047 0.000 0.822 333 A HN 0.574 nan 8.150 nan 0.000 0.447 334 N N 0.090 118.784 118.700 -0.010 0.000 2.149 334 N HA -0.145 4.595 4.740 0.001 0.000 0.188 334 N C 1.398 176.893 175.510 -0.025 0.000 1.019 334 N CA 2.240 55.286 53.050 -0.006 0.000 0.857 334 N CB -0.237 38.248 38.487 -0.003 0.000 0.997 334 N HN 0.333 nan 8.380 nan 0.000 0.426 335 V N -2.699 117.184 119.914 -0.051 0.000 3.431 335 V HA 0.398 4.519 4.120 0.001 0.000 0.253 335 V C 2.056 178.065 176.094 -0.142 0.000 1.184 335 V CA 1.029 63.264 62.300 -0.108 0.000 1.104 335 V CB 0.092 31.822 31.823 -0.155 0.000 0.799 335 V HN 0.271 nan 8.190 nan 0.000 0.462 336 G N 0.066 108.836 108.800 -0.050 0.000 2.762 336 G HA2 0.321 4.282 3.960 0.001 0.000 0.209 336 G HA3 0.321 4.282 3.960 0.001 0.000 0.209 336 G C 0.932 175.939 174.900 0.179 0.000 1.134 336 G CA 0.581 45.749 45.100 0.115 0.000 0.781 336 G HN 0.586 nan 8.290 nan 0.000 0.528 337 A N 1.246 124.114 122.820 0.080 0.000 2.899 337 A HA 0.555 4.876 4.320 0.001 0.000 0.287 337 A C -0.314 177.335 177.584 0.108 0.000 1.715 337 A CA -0.025 52.061 52.037 0.082 0.000 1.393 337 A CB -0.427 18.599 19.000 0.045 0.000 1.070 337 A HN 0.126 nan 8.150 nan 0.000 0.587 338 V N 1.919 121.930 119.914 0.161 0.000 2.483 338 V HA 0.375 4.496 4.120 0.001 0.000 0.295 338 V C 0.854 177.107 176.094 0.265 0.000 1.035 338 V CA -0.551 61.867 62.300 0.196 0.000 0.896 338 V CB 1.755 33.698 31.823 0.200 0.000 0.986 338 V HN 0.773 nan 8.190 nan 0.000 0.447 339 S N 5.325 121.159 115.700 0.222 0.000 2.531 339 S HA 0.214 4.684 4.470 0.001 0.000 0.279 339 S C -1.428 173.310 174.600 0.231 0.000 1.305 339 S CA -0.839 57.467 58.200 0.177 0.000 1.058 339 S CB 1.061 64.322 63.200 0.102 0.000 0.899 339 S HN 0.610 nan 8.310 nan 0.000 0.493 340 P HA -0.087 nan 4.420 nan 0.000 0.221 340 P C 1.477 178.524 177.300 -0.421 0.000 1.145 340 P CA 1.064 63.954 63.100 -0.349 0.000 0.795 340 P CB -0.086 31.406 31.700 -0.346 0.000 0.775 341 S N -0.617 115.004 115.700 -0.132 0.000 2.442 341 S HA -0.148 4.323 4.470 0.001 0.000 0.236 341 S C 1.718 176.341 174.600 0.037 0.000 1.007 341 S CA 0.967 59.121 58.200 -0.076 0.000 0.965 341 S CB -0.971 62.193 63.200 -0.060 0.000 0.773 341 S HN 0.254 nan 8.310 nan 0.000 0.504 342 E N -0.145 120.149 120.200 0.157 0.000 2.435 342 E HA 0.018 4.369 4.350 0.001 0.000 0.195 342 E C 1.389 178.327 176.600 0.563 0.000 1.029 342 E CA 0.888 57.475 56.400 0.312 0.000 0.865 342 E CB 0.028 29.924 29.700 0.327 0.000 0.833 342 E HN 0.969 nan 8.360 nan 0.000 0.510 343 W N -1.684 119.786 121.300 0.283 0.000 5.194 343 W HA 0.374 5.035 4.660 0.001 0.000 0.169 343 W C 0.414 176.819 176.519 -0.191 0.000 1.110 343 W CA 0.050 57.494 57.345 0.165 0.000 1.861 343 W CB -0.314 29.224 29.460 0.131 0.000 0.573 343 W HN -0.150 nan 8.180 nan 0.000 1.069 344 A N 2.815 124.849 122.820 -1.310 0.000 2.981 344 A HA 0.398 4.718 4.320 0.001 0.000 0.280 344 A C -0.962 175.964 177.584 -1.097 0.000 1.797 344 A CA 0.583 51.453 52.037 -1.945 0.000 1.456 344 A CB -2.159 15.551 19.000 -2.150 0.000 1.057 344 A HN 0.470 nan 8.150 nan 0.000 0.602 345 Y N -0.395 119.563 120.300 -0.569 0.000 2.558 345 Y HA 0.754 5.304 4.550 0.001 0.000 0.333 345 Y C -3.188 172.836 175.900 0.207 0.000 1.125 345 Y CA -2.928 55.113 58.100 -0.099 0.000 1.039 345 Y CB 0.715 39.131 38.460 -0.075 0.000 1.331 345 Y HN 0.236 nan 8.280 nan 0.000 0.456 346 P HA 0.338 nan 4.420 nan 0.000 0.282 346 P C -2.768 174.646 177.300 0.189 0.000 1.287 346 P CA -1.710 61.530 63.100 0.234 0.000 0.792 346 P CB 0.780 32.574 31.700 0.158 0.000 1.163 347 P HA -0.001 nan 4.420 nan 0.000 0.271 347 P C 1.292 178.626 177.300 0.057 0.000 1.218 347 P CA -0.030 63.128 63.100 0.096 0.000 0.780 347 P CB 0.601 32.320 31.700 0.033 0.000 0.901 348 V N 2.850 122.790 119.914 0.043 0.000 2.324 348 V HA -0.322 3.799 4.120 0.001 0.000 0.250 348 V C 2.682 178.752 176.094 -0.040 0.000 1.060 348 V CA 2.851 65.127 62.300 -0.039 0.000 1.042 348 V CB -1.799 29.994 31.823 -0.051 0.000 0.650 348 V HN 0.689 nan 8.190 nan 0.000 0.450 349 A N -0.576 122.230 122.820 -0.023 0.000 1.917 349 A HA -0.357 3.964 4.320 0.001 0.000 0.219 349 A C 2.299 179.868 177.584 -0.025 0.000 1.182 349 A CA 2.387 54.409 52.037 -0.024 0.000 0.633 349 A CB -0.594 18.395 19.000 -0.019 0.000 0.819 349 A HN 0.647 nan 8.150 nan 0.000 0.448 350 Q N -0.597 119.192 119.800 -0.018 0.000 2.119 350 Q HA -0.073 4.268 4.340 0.001 0.000 0.201 350 Q C 1.984 177.963 176.000 -0.035 0.000 0.972 350 Q CA 1.216 57.009 55.803 -0.017 0.000 0.847 350 Q CB -0.194 28.544 28.738 -0.000 0.000 0.903 350 Q HN 0.681 nan 8.270 nan 0.000 0.433 351 L N 0.134 121.317 121.223 -0.068 0.000 2.093 351 L HA -0.116 4.224 4.340 0.001 0.000 0.208 351 L C 2.499 179.318 176.870 -0.086 0.000 1.085 351 L CA 0.969 55.736 54.840 -0.123 0.000 0.755 351 L CB -0.462 41.445 42.059 -0.254 0.000 0.904 351 L HN 0.317 nan 8.230 nan 0.000 0.435 352 A N -0.384 122.397 122.820 -0.066 0.000 1.968 352 A HA -0.234 4.087 4.320 0.001 0.000 0.217 352 A C 2.016 179.582 177.584 -0.029 0.000 1.169 352 A CA 1.852 53.862 52.037 -0.045 0.000 0.638 352 A CB -0.736 18.243 19.000 -0.035 0.000 0.812 352 A HN 0.553 nan 8.150 nan 0.000 0.446 353 N N -0.639 118.046 118.700 -0.025 0.000 2.300 353 N HA -0.026 4.715 4.740 0.001 0.000 0.179 353 N C 0.559 176.061 175.510 -0.012 0.000 1.016 353 N CA 0.378 53.418 53.050 -0.016 0.000 0.876 353 N CB -0.004 38.475 38.487 -0.013 0.000 0.979 353 N HN 0.243 nan 8.380 nan 0.000 0.432 354 V N 0.000 119.906 119.914 -0.014 0.000 2.409 354 V HA 0.000 4.121 4.120 0.001 0.000 0.244 354 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 354 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556