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 3dp7_1_A DATA FIRST_RESID 5 DATA SEQUENCE YTKEQCTAAE AQRLAQEIAF GPVVFQVSRL MLKFGIFQLL SGKREGYTLQ DATA SEQUENCE EISGRTGLTR YAAQVLLEAS LTIGTILLEE DRYVLAKAGW FLLNDKMARV DATA SEQUENCE NMEFNHDVNY QGLFHLEEAL LNGRPEGLKV FGEWPTIYEG LSQLPEQVQK DATA SEQUENCE SWFGFDHFYS DQSFGKALEI VFSHHPKRLL DIGGNTGKWA TQCVQYNKEV DATA SEQUENCE EVTIVDLPQQ LEMMRKQTAG LSGSERIHGH GANLLDRDVP FPTGFDAVWM DATA SEQUENCE SQFLDCFSEE EVISILTRVA QSIGKDSKVY IMETLWDRQR YETASYCLTQ DATA SEQUENCE ISLYFTAMAN GNSKMFHSDD LIRCIENAGL EVEEIQDNIG LGHSILQCRL DATA SEQUENCE K 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 5 Y HA 0.000 nan 4.550 nan 0.000 0.201 5 Y C 0.000 175.954 175.900 0.090 0.000 1.272 5 Y CA 0.000 58.160 58.100 0.099 0.000 1.940 5 Y CB 0.000 38.494 38.460 0.056 0.000 1.050 6 T N 2.749 117.736 114.554 0.722 0.000 2.041 6 T HA -0.344 4.005 4.350 -0.001 0.000 0.171 6 T C 0.238 174.867 174.700 -0.119 0.000 1.787 6 T CA 3.220 65.463 62.100 0.238 0.000 0.997 6 T CB -0.675 68.314 68.868 0.202 0.000 0.822 6 T HN 0.436 nan 8.240 nan 0.000 0.410 7 K N 2.182 122.576 120.400 -0.010 0.000 4.116 7 K HA -0.188 4.132 4.320 -0.001 0.000 0.277 7 K C -0.339 176.230 176.600 -0.052 0.000 0.835 7 K CA 1.143 57.417 56.287 -0.020 0.000 0.740 7 K CB -1.821 30.667 32.500 -0.021 0.000 1.714 7 K HN 0.870 nan 8.250 nan 0.000 0.433 8 E N 0.346 120.540 120.200 -0.009 0.000 2.479 8 E HA 0.062 4.411 4.350 -0.001 0.000 0.273 8 E C -1.438 175.178 176.600 0.026 0.000 1.062 8 E CA -0.400 56.000 56.400 0.000 0.000 0.826 8 E CB 0.275 29.965 29.700 -0.018 0.000 1.126 8 E HN 0.344 nan 8.360 nan 0.000 0.418 9 Q N -0.671 119.145 119.800 0.027 0.000 2.667 9 Q HA -0.175 4.165 4.340 -0.001 0.000 0.210 9 Q C -0.759 175.261 176.000 0.034 0.000 1.417 9 Q CA 0.706 56.526 55.803 0.028 0.000 0.607 9 Q CB -1.278 27.473 28.738 0.022 0.000 0.739 9 Q HN 0.655 nan 8.270 nan 0.000 0.315 10 C N 2.448 121.767 119.300 0.032 0.000 3.559 10 C HA 0.391 4.850 4.460 -0.001 0.000 0.314 10 C C 0.268 175.273 174.990 0.025 0.000 1.419 10 C CA 0.644 59.681 59.018 0.032 0.000 1.775 10 C CB -0.034 27.729 27.740 0.037 0.000 2.430 10 C HN 0.832 nan 8.230 nan 0.000 0.686 11 T N -0.644 113.923 114.554 0.022 0.000 2.879 11 T HA 0.721 5.070 4.350 -0.001 0.000 0.290 11 T C -0.012 174.698 174.700 0.018 0.000 0.993 11 T CA -0.079 62.032 62.100 0.019 0.000 0.975 11 T CB 1.614 70.493 68.868 0.019 0.000 0.981 11 T HN 0.300 nan 8.240 nan 0.000 0.439 12 A N 2.499 125.329 122.820 0.016 0.000 2.474 12 A HA 0.504 4.824 4.320 -0.001 0.000 0.286 12 A C 1.820 179.413 177.584 0.016 0.000 1.196 12 A CA 0.175 52.221 52.037 0.015 0.000 0.924 12 A CB -0.829 18.180 19.000 0.014 0.000 1.120 12 A HN 1.819 nan 8.150 nan 0.000 0.530 13 A N -0.484 122.345 122.820 0.015 0.000 2.215 13 A HA 0.100 4.420 4.320 -0.001 0.000 0.208 13 A C 1.407 179.002 177.584 0.018 0.000 1.296 13 A CA 0.995 53.042 52.037 0.016 0.000 0.918 13 A CB -0.831 18.178 19.000 0.014 0.000 0.806 13 A HN 0.823 nan 8.150 nan 0.000 0.490 14 E N -0.274 119.937 120.200 0.018 0.000 2.512 14 E HA 0.102 4.452 4.350 -0.001 0.000 0.195 14 E C 1.268 177.882 176.600 0.023 0.000 1.083 14 E CA 0.613 57.025 56.400 0.020 0.000 0.873 14 E CB -0.202 29.508 29.700 0.018 0.000 0.897 14 E HN 0.476 nan 8.360 nan 0.000 0.514 15 A N 1.238 124.071 122.820 0.022 0.000 2.067 15 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 15 A C 2.171 179.772 177.584 0.027 0.000 1.158 15 A CA 1.240 53.291 52.037 0.023 0.000 0.661 15 A CB -0.490 18.522 19.000 0.020 0.000 0.801 15 A HN 0.416 nan 8.150 nan 0.000 0.452 16 Q N -0.456 119.360 119.800 0.027 0.000 2.124 16 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 16 Q C 2.301 178.328 176.000 0.044 0.000 0.977 16 Q CA 1.247 57.070 55.803 0.033 0.000 0.850 16 Q CB -0.153 28.603 28.738 0.030 0.000 0.901 16 Q HN 0.611 nan 8.270 nan 0.000 0.429 17 R N 0.208 120.733 120.500 0.042 0.000 2.090 17 R HA -0.115 4.225 4.340 -0.001 0.000 0.228 17 R C 2.326 178.663 176.300 0.061 0.000 1.110 17 R CA 0.823 56.953 56.100 0.051 0.000 0.973 17 R CB -0.251 30.073 30.300 0.039 0.000 0.869 17 R HN 0.318 nan 8.270 nan 0.000 0.440 18 L N 0.812 122.064 121.223 0.049 0.000 2.056 18 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 18 L C 2.190 179.095 176.870 0.059 0.000 1.078 18 L CA 2.006 56.877 54.840 0.051 0.000 0.749 18 L CB -0.822 41.260 42.059 0.038 0.000 0.901 18 L HN 0.116 nan 8.230 nan 0.000 0.433 19 A N -1.063 121.787 122.820 0.050 0.000 1.883 19 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 19 A C 2.254 179.877 177.584 0.065 0.000 1.186 19 A CA 1.922 53.985 52.037 0.042 0.000 0.624 19 A CB -0.714 18.304 19.000 0.030 0.000 0.822 19 A HN 0.533 nan 8.150 nan 0.000 0.444 20 Q N -0.238 119.627 119.800 0.107 0.000 2.084 20 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 20 Q C 1.935 178.116 176.000 0.301 0.000 0.978 20 Q CA 1.941 57.870 55.803 0.210 0.000 0.844 20 Q CB -0.396 28.473 28.738 0.218 0.000 0.898 20 Q HN 0.803 nan 8.270 nan 0.000 0.426 21 E N -0.253 120.065 120.200 0.196 0.000 2.033 21 E HA -0.220 4.129 4.350 -0.001 0.000 0.199 21 E C 2.035 178.738 176.600 0.172 0.000 1.011 21 E CA 1.454 57.963 56.400 0.182 0.000 0.815 21 E CB -0.320 29.447 29.700 0.111 0.000 0.755 21 E HN 0.331 nan 8.360 nan 0.000 0.451 22 I N 1.141 121.775 120.570 0.107 0.000 2.151 22 I HA -0.343 3.827 4.170 -0.001 0.000 0.243 22 I C 2.526 178.661 176.117 0.030 0.000 1.080 22 I CA 1.271 62.610 61.300 0.065 0.000 1.339 22 I CB -0.354 37.666 38.000 0.033 0.000 1.039 22 I HN 0.127 nan 8.210 nan 0.000 0.409 23 A N -0.089 122.725 122.820 -0.010 0.000 2.024 23 A HA -0.176 4.143 4.320 -0.001 0.000 0.220 23 A C 1.767 179.165 177.584 -0.310 0.000 1.164 23 A CA 1.608 53.535 52.037 -0.183 0.000 0.643 23 A CB -0.749 18.087 19.000 -0.274 0.000 0.806 23 A HN 0.460 nan 8.150 nan 0.000 0.451 24 F N -0.726 119.247 119.950 0.038 0.000 2.653 24 F HA 0.268 4.794 4.527 -0.001 0.000 0.304 24 F C 2.167 178.012 175.800 0.075 0.000 1.092 24 F CA -0.143 57.889 58.000 0.054 0.000 1.279 24 F CB -0.285 38.746 39.000 0.052 0.000 1.044 24 F HN 0.225 nan 8.300 nan 0.000 0.564 25 G N 1.987 110.902 108.800 0.193 0.000 2.597 25 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.222 25 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.222 25 G C -0.594 174.432 174.900 0.211 0.000 1.135 25 G CA 1.084 46.285 45.100 0.169 0.000 0.759 25 G HN 0.241 nan 8.290 nan 0.000 0.595 26 P HA -0.002 nan 4.420 nan 0.000 0.217 26 P C 2.084 179.591 177.300 0.345 0.000 1.150 26 P CA 0.673 63.938 63.100 0.275 0.000 0.832 26 P CB -0.040 31.784 31.700 0.206 0.000 0.787 27 V N -0.696 119.388 119.914 0.284 0.000 2.346 27 V HA -0.149 3.971 4.120 -0.001 0.000 0.244 27 V C 2.473 178.679 176.094 0.187 0.000 1.037 27 V CA 1.370 63.808 62.300 0.230 0.000 1.029 27 V CB -1.046 30.924 31.823 0.245 0.000 0.663 27 V HN -0.083 nan 8.190 nan 0.000 0.454 28 V N -0.036 120.002 119.914 0.208 0.000 2.252 28 V HA -0.332 3.787 4.120 -0.001 0.000 0.249 28 V C 2.202 178.401 176.094 0.176 0.000 1.056 28 V CA 2.812 65.209 62.300 0.161 0.000 1.022 28 V CB -0.767 31.164 31.823 0.179 0.000 0.641 28 V HN 0.614 nan 8.190 nan 0.000 0.445 29 F N 0.678 120.690 119.950 0.103 0.000 2.069 29 F HA -0.235 4.291 4.527 -0.001 0.000 0.298 29 F C 2.612 178.437 175.800 0.042 0.000 1.113 29 F CA 2.072 60.130 58.000 0.097 0.000 1.214 29 F CB -0.378 38.715 39.000 0.154 0.000 0.978 29 F HN 0.087 nan 8.300 nan 0.000 0.474 30 Q N 0.257 120.136 119.800 0.132 0.000 2.084 30 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 30 Q C 2.618 178.484 176.000 -0.223 0.000 0.978 30 Q CA 1.811 57.549 55.803 -0.108 0.000 0.844 30 Q CB -1.317 27.439 28.738 0.030 0.000 0.898 30 Q HN 0.520 nan 8.270 nan 0.000 0.426 31 V N 0.046 119.891 119.914 -0.115 0.000 2.626 31 V HA -0.165 3.955 4.120 -0.001 0.000 0.252 31 V C 1.828 177.800 176.094 -0.203 0.000 1.067 31 V CA 2.101 64.309 62.300 -0.154 0.000 1.081 31 V CB -0.190 31.577 31.823 -0.093 0.000 0.686 31 V HN 0.221 nan 8.190 nan 0.000 0.468 32 S N -0.248 115.360 115.700 -0.154 0.000 2.414 32 S HA -0.018 4.451 4.470 -0.001 0.000 0.227 32 S C 1.964 176.451 174.600 -0.189 0.000 1.022 32 S CA 1.131 59.288 58.200 -0.072 0.000 0.958 32 S CB -0.394 62.838 63.200 0.052 0.000 0.797 32 S HN 0.666 nan 8.310 nan 0.000 0.493 33 R N 0.973 121.235 120.500 -0.397 0.000 2.103 33 R HA -0.052 4.288 4.340 -0.001 0.000 0.242 33 R C 1.908 177.928 176.300 -0.466 0.000 1.142 33 R CA 1.257 57.065 56.100 -0.487 0.000 0.960 33 R CB -0.261 29.596 30.300 -0.738 0.000 0.858 33 R HN 0.365 nan 8.270 nan 0.000 0.439 34 L N -0.611 120.282 121.223 -0.550 0.000 2.202 34 L HA -0.061 4.279 4.340 -0.001 0.000 0.205 34 L C 2.450 178.917 176.870 -0.672 0.000 1.083 34 L CA 0.279 54.637 54.840 -0.803 0.000 0.790 34 L CB -0.249 41.297 42.059 -0.855 0.000 0.942 34 L HN 0.217 nan 8.230 nan 0.000 0.452 35 M N 0.150 119.413 119.600 -0.562 0.000 2.143 35 M HA -0.252 4.227 4.480 -0.001 0.000 0.258 35 M C 1.939 177.773 176.300 -0.777 0.000 1.071 35 M CA 1.940 56.791 55.300 -0.747 0.000 1.088 35 M CB -0.314 31.648 32.600 -1.064 0.000 1.360 35 M HN 0.191 nan 8.290 nan 0.000 0.404 36 L N -0.561 120.367 121.223 -0.493 0.000 2.071 36 L HA -0.027 4.312 4.340 -0.001 0.000 0.201 36 L C 2.191 178.973 176.870 -0.146 0.000 1.076 36 L CA 2.010 56.769 54.840 -0.135 0.000 0.755 36 L CB -1.114 40.981 42.059 0.060 0.000 0.915 36 L HN 0.341 nan 8.230 nan 0.000 0.445 37 K N -0.850 119.404 120.400 -0.242 0.000 2.074 37 K HA -0.224 4.096 4.320 -0.001 0.000 0.209 37 K C 1.770 178.358 176.600 -0.021 0.000 1.048 37 K CA 2.046 58.218 56.287 -0.191 0.000 0.926 37 K CB -0.370 31.922 32.500 -0.345 0.000 0.713 37 K HN 0.284 nan 8.250 nan 0.000 0.444 38 F N 0.379 120.241 119.950 -0.146 0.000 2.771 38 F HA 0.217 4.744 4.527 -0.001 0.000 0.299 38 F C 1.531 177.256 175.800 -0.126 0.000 1.177 38 F CA 0.672 58.592 58.000 -0.133 0.000 1.450 38 F CB -0.370 38.538 39.000 -0.154 0.000 1.114 38 F HN 0.389 nan 8.300 nan 0.000 0.587 39 G N 0.389 109.211 108.800 0.038 0.000 2.149 39 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.235 39 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.235 39 G C 1.097 175.985 174.900 -0.020 0.000 1.018 39 G CA 0.457 45.562 45.100 0.008 0.000 0.728 39 G HN 0.427 nan 8.290 nan 0.000 0.508 40 I N -0.900 119.611 120.570 -0.097 0.000 2.480 40 I HA 0.070 4.239 4.170 -0.001 0.000 0.251 40 I C 2.387 178.495 176.117 -0.016 0.000 1.124 40 I CA 0.580 61.811 61.300 -0.116 0.000 1.444 40 I CB -0.348 37.520 38.000 -0.220 0.000 1.098 40 I HN 0.131 nan 8.210 nan 0.000 0.428 41 F N 1.352 121.303 119.950 0.002 0.000 2.171 41 F HA -0.243 4.283 4.527 -0.001 0.000 0.300 41 F C 2.713 178.532 175.800 0.031 0.000 1.090 41 F CA 1.454 59.464 58.000 0.016 0.000 1.293 41 F CB -0.955 38.035 39.000 -0.016 0.000 1.013 41 F HN 0.111 nan 8.300 nan 0.000 0.486 42 Q N 0.501 120.412 119.800 0.185 0.000 2.020 42 Q HA -0.141 4.198 4.340 -0.001 0.000 0.198 42 Q C 2.161 178.239 176.000 0.129 0.000 0.974 42 Q CA 1.322 57.196 55.803 0.119 0.000 0.829 42 Q CB -0.791 27.987 28.738 0.068 0.000 0.894 42 Q HN 0.330 nan 8.270 nan 0.000 0.433 43 L N -0.198 121.089 121.223 0.106 0.000 1.997 43 L HA -0.202 4.137 4.340 -0.001 0.000 0.216 43 L C 1.881 178.919 176.870 0.279 0.000 1.074 43 L CA 1.781 56.698 54.840 0.128 0.000 0.763 43 L CB -0.881 41.176 42.059 -0.004 0.000 0.890 43 L HN 0.365 nan 8.230 nan 0.000 0.434 44 L N -0.925 120.456 121.223 0.264 0.000 2.083 44 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 44 L C 2.774 179.772 176.870 0.214 0.000 1.083 44 L CA 1.848 56.858 54.840 0.283 0.000 0.752 44 L CB -1.400 40.823 42.059 0.275 0.000 0.899 44 L HN 0.395 nan 8.230 nan 0.000 0.433 45 S N -0.399 115.422 115.700 0.202 0.000 2.378 45 S HA -0.214 4.256 4.470 -0.001 0.000 0.229 45 S C 1.790 176.474 174.600 0.139 0.000 1.052 45 S CA 1.649 59.954 58.200 0.175 0.000 1.084 45 S CB -0.542 62.745 63.200 0.145 0.000 0.950 45 S HN 0.563 nan 8.310 nan 0.000 0.440 46 G N -0.186 108.697 108.800 0.139 0.000 3.181 46 G HA2 0.158 4.117 3.960 -0.001 0.000 0.219 46 G HA3 0.158 4.117 3.960 -0.001 0.000 0.219 46 G C 0.236 175.181 174.900 0.076 0.000 1.182 46 G CA -0.044 45.120 45.100 0.107 0.000 0.791 46 G HN 0.215 nan 8.290 nan 0.000 0.537 47 K N 0.704 121.133 120.400 0.048 0.000 2.723 47 K HA 0.160 4.479 4.320 -0.001 0.000 0.229 47 K C 0.710 177.268 176.600 -0.070 0.000 1.022 47 K CA -0.613 55.625 56.287 -0.081 0.000 1.045 47 K CB 1.476 33.771 32.500 -0.343 0.000 1.227 47 K HN 0.098 nan 8.250 nan 0.000 0.516 48 R N 0.973 121.447 120.500 -0.044 0.000 2.103 48 R HA -0.197 4.142 4.340 -0.001 0.000 0.242 48 R C 1.536 177.803 176.300 -0.056 0.000 1.142 48 R CA 1.553 57.633 56.100 -0.034 0.000 0.960 48 R CB -0.513 29.768 30.300 -0.032 0.000 0.858 48 R HN 0.624 nan 8.270 nan 0.000 0.439 49 E N 0.840 120.982 120.200 -0.095 0.000 2.150 49 E HA -0.003 4.346 4.350 -0.001 0.000 0.193 49 E C 0.427 176.951 176.600 -0.128 0.000 0.985 49 E CA 0.832 57.168 56.400 -0.106 0.000 0.814 49 E CB -0.086 29.541 29.700 -0.122 0.000 0.752 49 E HN 0.474 nan 8.360 nan 0.000 0.466 50 G N -1.017 107.664 108.800 -0.200 0.000 2.685 50 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.387 50 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.387 50 G C -1.160 173.566 174.900 -0.289 0.000 1.324 50 G CA -0.202 44.806 45.100 -0.154 0.000 0.878 50 G HN 0.168 nan 8.290 nan 0.000 0.527 51 Y N -0.386 119.965 120.300 0.085 0.000 2.576 51 Y HA 0.701 5.250 4.550 -0.001 0.000 0.346 51 Y C 1.132 177.098 175.900 0.111 0.000 1.018 51 Y CA 0.007 58.157 58.100 0.083 0.000 1.050 51 Y CB 2.114 40.625 38.460 0.084 0.000 1.280 51 Y HN 1.071 nan 8.280 nan 0.000 0.474 52 T N -1.031 113.692 114.554 0.282 0.000 2.816 52 T HA 0.232 4.581 4.350 -0.001 0.000 0.282 52 T C 0.909 175.746 174.700 0.229 0.000 0.993 52 T CA -0.605 61.614 62.100 0.197 0.000 0.994 52 T CB 0.816 69.755 68.868 0.119 0.000 1.025 52 T HN 0.635 nan 8.240 nan 0.000 0.529 53 L N 0.450 121.809 121.223 0.227 0.000 1.994 53 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 53 L C 2.760 179.678 176.870 0.079 0.000 1.071 53 L CA 1.937 56.881 54.840 0.173 0.000 0.745 53 L CB -1.267 40.900 42.059 0.179 0.000 0.892 53 L HN 0.913 nan 8.230 nan 0.000 0.431 54 Q N 0.064 119.906 119.800 0.070 0.000 2.197 54 Q HA -0.258 4.081 4.340 -0.001 0.000 0.207 54 Q C 1.841 177.854 176.000 0.022 0.000 0.984 54 Q CA 2.301 58.127 55.803 0.038 0.000 0.869 54 Q CB -0.190 28.570 28.738 0.037 0.000 0.906 54 Q HN 0.775 nan 8.270 nan 0.000 0.426 55 E N 0.375 120.603 120.200 0.047 0.000 2.047 55 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 55 E C 2.320 178.857 176.600 -0.104 0.000 0.987 55 E CA 1.138 57.545 56.400 0.011 0.000 0.799 55 E CB -0.166 29.616 29.700 0.137 0.000 0.752 55 E HN 0.418 nan 8.360 nan 0.000 0.449 56 I N 1.245 121.771 120.570 -0.073 0.000 2.163 56 I HA -0.278 3.891 4.170 -0.001 0.000 0.243 56 I C 2.738 178.784 176.117 -0.118 0.000 1.085 56 I CA 0.896 62.117 61.300 -0.132 0.000 1.347 56 I CB -0.702 37.262 38.000 -0.060 0.000 1.044 56 I HN 0.093 nan 8.210 nan 0.000 0.408 57 S N 1.010 116.666 115.700 -0.073 0.000 2.365 57 S HA -0.192 4.277 4.470 -0.001 0.000 0.221 57 S C 2.127 176.680 174.600 -0.079 0.000 1.037 57 S CA 2.027 60.187 58.200 -0.068 0.000 1.060 57 S CB -0.862 62.318 63.200 -0.034 0.000 0.974 57 S HN 0.575 nan 8.310 nan 0.000 0.427 58 G N 2.908 111.667 108.800 -0.068 0.000 2.586 58 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.218 58 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.218 58 G C 1.539 176.385 174.900 -0.091 0.000 1.216 58 G CA 1.034 46.093 45.100 -0.067 0.000 0.786 58 G HN 0.503 nan 8.290 nan 0.000 0.583 59 R N 0.567 120.989 120.500 -0.129 0.000 2.083 59 R HA -0.099 4.241 4.340 -0.001 0.000 0.237 59 R C 2.748 178.973 176.300 -0.125 0.000 1.137 59 R CA 1.954 57.967 56.100 -0.145 0.000 0.951 59 R CB -1.888 28.267 30.300 -0.243 0.000 0.851 59 R HN 0.579 nan 8.270 nan 0.000 0.434 60 T N -2.215 112.259 114.554 -0.134 0.000 3.085 60 T HA 0.135 4.485 4.350 -0.001 0.000 0.263 60 T C 1.248 175.860 174.700 -0.148 0.000 1.127 60 T CA 0.571 62.592 62.100 -0.131 0.000 1.103 60 T CB -0.162 68.625 68.868 -0.134 0.000 0.921 60 T HN 0.492 nan 8.240 nan 0.000 0.510 61 G N 1.382 110.107 108.800 -0.126 0.000 2.350 61 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.298 61 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.298 61 G C -0.278 174.526 174.900 -0.160 0.000 1.037 61 G CA 0.239 45.265 45.100 -0.123 0.000 1.074 61 G HN 0.655 nan 8.290 nan 0.000 0.511 62 L N -0.052 121.079 121.223 -0.153 0.000 2.346 62 L HA 0.476 4.816 4.340 -0.001 0.000 0.274 62 L C 1.231 178.050 176.870 -0.084 0.000 1.007 62 L CA -1.029 53.714 54.840 -0.162 0.000 0.818 62 L CB 1.770 43.720 42.059 -0.182 0.000 1.284 62 L HN 0.194 nan 8.230 nan 0.000 0.424 63 T N 1.235 115.760 114.554 -0.047 0.000 2.854 63 T HA -0.122 4.228 4.350 -0.001 0.000 0.336 63 T C 1.210 175.920 174.700 0.017 0.000 1.095 63 T CA 0.383 62.488 62.100 0.009 0.000 1.118 63 T CB 0.526 69.441 68.868 0.078 0.000 1.025 63 T HN 0.633 nan 8.240 nan 0.000 0.549 64 R N 1.097 121.619 120.500 0.037 0.000 2.070 64 R HA -0.164 4.175 4.340 -0.001 0.000 0.233 64 R C 2.160 178.491 176.300 0.052 0.000 1.137 64 R CA 1.773 57.894 56.100 0.036 0.000 0.945 64 R CB -0.703 29.625 30.300 0.046 0.000 0.845 64 R HN 0.785 nan 8.270 nan 0.000 0.430 65 Y N 0.906 121.195 120.300 -0.019 0.000 2.002 65 Y HA -0.373 4.176 4.550 -0.001 0.000 0.268 65 Y C 2.218 178.105 175.900 -0.021 0.000 1.177 65 Y CA 2.369 60.460 58.100 -0.016 0.000 1.111 65 Y CB -0.904 37.547 38.460 -0.014 0.000 0.952 65 Y HN 0.262 nan 8.280 nan 0.000 0.491 66 A N 0.347 123.156 122.820 -0.019 0.000 1.917 66 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 66 A C 2.403 179.889 177.584 -0.162 0.000 1.182 66 A CA 2.426 54.393 52.037 -0.116 0.000 0.633 66 A CB -1.607 17.405 19.000 0.020 0.000 0.819 66 A HN 0.736 nan 8.150 nan 0.000 0.448 67 A N -1.362 121.387 122.820 -0.119 0.000 1.968 67 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 67 A C 2.143 179.620 177.584 -0.178 0.000 1.169 67 A CA 1.552 53.512 52.037 -0.129 0.000 0.638 67 A CB -0.422 18.520 19.000 -0.098 0.000 0.812 67 A HN 0.654 nan 8.150 nan 0.000 0.446 68 Q N -0.562 119.135 119.800 -0.172 0.000 2.123 68 Q HA -0.071 4.268 4.340 -0.001 0.000 0.199 68 Q C 1.918 177.795 176.000 -0.206 0.000 0.966 68 Q CA 1.463 57.173 55.803 -0.155 0.000 0.845 68 Q CB -0.108 28.576 28.738 -0.091 0.000 0.907 68 Q HN 0.376 nan 8.270 nan 0.000 0.439 69 V N 0.750 120.480 119.914 -0.307 0.000 2.358 69 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 69 V C 2.179 178.143 176.094 -0.215 0.000 1.047 69 V CA 1.401 63.520 62.300 -0.301 0.000 1.035 69 V CB -0.271 31.246 31.823 -0.509 0.000 0.658 69 V HN 0.388 nan 8.190 nan 0.000 0.452 70 L N -1.131 119.964 121.223 -0.213 0.000 2.056 70 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 70 L C 2.318 179.056 176.870 -0.220 0.000 1.078 70 L CA 1.443 56.166 54.840 -0.194 0.000 0.749 70 L CB -0.419 41.527 42.059 -0.189 0.000 0.901 70 L HN 0.294 nan 8.230 nan 0.000 0.433 71 L N -0.738 120.314 121.223 -0.285 0.000 2.072 71 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 71 L C 2.559 179.249 176.870 -0.300 0.000 1.079 71 L CA 1.094 55.672 54.840 -0.435 0.000 0.752 71 L CB -0.351 41.251 42.059 -0.761 0.000 0.906 71 L HN 0.240 nan 8.230 nan 0.000 0.436 72 E N 0.133 120.225 120.200 -0.180 0.000 2.051 72 E HA -0.247 4.103 4.350 -0.001 0.000 0.192 72 E C 2.266 178.831 176.600 -0.058 0.000 0.991 72 E CA 1.272 57.636 56.400 -0.059 0.000 0.799 72 E CB -0.191 29.481 29.700 -0.047 0.000 0.748 72 E HN 0.497 nan 8.360 nan 0.000 0.449 73 A N 0.784 123.549 122.820 -0.091 0.000 1.972 73 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 73 A C 2.284 179.841 177.584 -0.046 0.000 1.169 73 A CA 1.456 53.446 52.037 -0.078 0.000 0.635 73 A CB -0.228 18.718 19.000 -0.089 0.000 0.810 73 A HN 0.090 nan 8.150 nan 0.000 0.446 74 S N -0.776 114.895 115.700 -0.047 0.000 2.414 74 S HA -0.033 4.436 4.470 -0.001 0.000 0.227 74 S C 1.761 176.394 174.600 0.054 0.000 1.022 74 S CA 0.967 59.178 58.200 0.017 0.000 0.958 74 S CB -0.265 62.946 63.200 0.017 0.000 0.797 74 S HN 0.488 nan 8.310 nan 0.000 0.493 75 L N 2.279 123.529 121.223 0.046 0.000 2.046 75 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 75 L C 2.528 179.440 176.870 0.069 0.000 1.077 75 L CA 2.152 57.057 54.840 0.107 0.000 0.747 75 L CB -1.019 41.146 42.059 0.176 0.000 0.896 75 L HN 0.476 nan 8.230 nan 0.000 0.432 76 T N -3.625 110.949 114.554 0.033 0.000 3.014 76 T HA -0.010 4.339 4.350 -0.001 0.000 0.263 76 T C 1.987 176.696 174.700 0.014 0.000 1.078 76 T CA 1.023 63.131 62.100 0.014 0.000 1.135 76 T CB -0.591 68.266 68.868 -0.019 0.000 0.895 76 T HN 0.332 nan 8.240 nan 0.000 0.480 77 I N 1.478 122.060 120.570 0.019 0.000 2.252 77 I HA 0.118 4.288 4.170 -0.001 0.000 0.245 77 I C 2.105 178.251 176.117 0.048 0.000 1.102 77 I CA 1.546 62.867 61.300 0.034 0.000 1.385 77 I CB -0.532 37.497 38.000 0.049 0.000 1.064 77 I HN 0.631 nan 8.210 nan 0.000 0.414 78 G N 0.488 109.326 108.800 0.064 0.000 2.155 78 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.135 78 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.135 78 G C 0.662 175.612 174.900 0.083 0.000 1.023 78 G CA 0.339 45.480 45.100 0.068 0.000 0.688 78 G HN 0.327 nan 8.290 nan 0.000 0.499 79 T N -1.330 113.293 114.554 0.115 0.000 3.065 79 T HA 0.534 4.883 4.350 -0.001 0.000 0.252 79 T C 1.172 175.981 174.700 0.183 0.000 1.099 79 T CA 0.967 63.139 62.100 0.121 0.000 1.063 79 T CB 0.202 69.183 68.868 0.188 0.000 0.948 79 T HN 1.443 nan 8.240 nan 0.000 0.506 80 I N -1.673 119.015 120.570 0.196 0.000 2.934 80 I HA 0.742 4.912 4.170 -0.001 0.000 0.306 80 I C -1.459 174.767 176.117 0.182 0.000 1.110 80 I CA -1.979 59.447 61.300 0.210 0.000 1.019 80 I CB 2.162 40.312 38.000 0.250 0.000 1.227 80 I HN -0.134 nan 8.210 nan 0.000 0.434 81 L N 3.153 124.480 121.223 0.173 0.000 2.313 81 L HA 0.608 4.947 4.340 -0.001 0.000 0.268 81 L C -0.964 175.979 176.870 0.121 0.000 1.010 81 L CA -1.011 53.904 54.840 0.126 0.000 0.814 81 L CB 1.973 44.073 42.059 0.069 0.000 1.304 81 L HN 0.498 nan 8.230 nan 0.000 0.441 82 L N 1.221 122.460 121.223 0.027 0.000 2.298 82 L HA 0.424 4.764 4.340 -0.001 0.000 0.284 82 L C -0.853 175.954 176.870 -0.105 0.000 1.013 82 L CA 0.118 54.882 54.840 -0.128 0.000 0.824 82 L CB 1.202 43.154 42.059 -0.178 0.000 1.221 82 L HN 0.499 nan 8.230 nan 0.000 0.418 83 E N 4.780 124.908 120.200 -0.121 0.000 2.155 83 E HA 0.359 4.709 4.350 -0.001 0.000 0.264 83 E C -0.187 176.353 176.600 -0.100 0.000 0.886 83 E CA -0.396 55.954 56.400 -0.084 0.000 0.752 83 E CB 1.274 30.942 29.700 -0.054 0.000 1.133 83 E HN 0.751 nan 8.360 nan 0.000 0.414 84 E N 1.670 121.821 120.200 -0.082 0.000 3.361 84 E HA -0.320 4.029 4.350 -0.001 0.000 0.443 84 E C 0.244 176.778 176.600 -0.110 0.000 1.573 84 E CA 2.161 58.515 56.400 -0.076 0.000 1.190 84 E CB -0.598 29.067 29.700 -0.058 0.000 1.374 84 E HN 0.749 nan 8.360 nan 0.000 0.442 85 D N 0.816 121.147 120.400 -0.114 0.000 2.535 85 D HA 0.199 4.838 4.640 -0.001 0.000 0.229 85 D C -0.214 175.971 176.300 -0.191 0.000 1.238 85 D CA -0.036 53.873 54.000 -0.151 0.000 0.824 85 D CB 0.159 40.912 40.800 -0.077 0.000 1.045 85 D HN 0.098 nan 8.370 nan 0.000 0.500 86 R N 0.082 120.472 120.500 -0.183 0.000 2.460 86 R HA 0.446 4.786 4.340 -0.001 0.000 0.303 86 R C -0.882 175.296 176.300 -0.203 0.000 0.968 86 R CA -0.735 55.292 56.100 -0.122 0.000 0.889 86 R CB 1.343 31.616 30.300 -0.045 0.000 1.123 86 R HN -0.010 nan 8.270 nan 0.000 0.455 87 Y N 1.542 121.881 120.300 0.065 0.000 2.304 87 Y HA 0.305 4.854 4.550 -0.001 0.000 0.328 87 Y C 0.629 176.577 175.900 0.081 0.000 1.123 87 Y CA -0.553 57.589 58.100 0.071 0.000 1.218 87 Y CB 1.311 39.819 38.460 0.080 0.000 1.207 87 Y HN 0.259 nan 8.280 nan 0.000 0.495 88 V N 1.795 121.835 119.914 0.211 0.000 2.864 88 V HA 0.517 4.636 4.120 -0.001 0.000 0.314 88 V C -0.696 175.505 176.094 0.178 0.000 1.073 88 V CA -1.467 60.924 62.300 0.151 0.000 0.956 88 V CB 1.755 33.621 31.823 0.071 0.000 1.023 88 V HN 0.569 nan 8.190 nan 0.000 0.435 89 L N 3.526 124.853 121.223 0.173 0.000 2.540 89 L HA 0.578 4.918 4.340 -0.001 0.000 0.276 89 L C 0.655 177.600 176.870 0.125 0.000 1.212 89 L CA 1.234 56.182 54.840 0.180 0.000 0.893 89 L CB 0.185 42.356 42.059 0.186 0.000 1.138 89 L HN 1.184 nan 8.230 nan 0.000 0.491 90 A N 5.111 128.003 122.820 0.120 0.000 2.248 90 A HA 0.416 4.736 4.320 -0.001 0.000 0.316 90 A C 1.130 178.772 177.584 0.097 0.000 1.101 90 A CA -0.413 51.677 52.037 0.087 0.000 0.875 90 A CB 0.503 19.555 19.000 0.087 0.000 1.207 90 A HN 0.835 nan 8.150 nan 0.000 0.504 91 K N -0.380 120.078 120.400 0.098 0.000 2.057 91 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 91 K C 2.089 178.894 176.600 0.341 0.000 1.049 91 K CA 1.481 57.874 56.287 0.176 0.000 0.931 91 K CB -0.271 32.325 32.500 0.161 0.000 0.714 91 K HN 0.720 nan 8.250 nan 0.000 0.440 92 A N 0.805 123.749 122.820 0.207 0.000 1.933 92 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 92 A C 2.310 179.907 177.584 0.022 0.000 1.175 92 A CA 1.906 54.039 52.037 0.160 0.000 0.628 92 A CB -0.916 18.118 19.000 0.055 0.000 0.814 92 A HN 0.452 nan 8.150 nan 0.000 0.444 93 G N -1.682 107.041 108.800 -0.128 0.000 2.402 93 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 93 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 93 G C 1.372 176.011 174.900 -0.435 0.000 1.162 93 G CA 0.974 45.695 45.100 -0.632 0.000 0.777 93 G HN 0.667 nan 8.290 nan 0.000 0.539 94 W N 1.036 122.173 121.300 -0.272 0.000 2.318 94 W HA -0.098 4.562 4.660 -0.001 0.000 0.313 94 W C 2.255 178.595 176.519 -0.298 0.000 1.221 94 W CA 1.694 58.882 57.345 -0.262 0.000 1.266 94 W CB -0.410 28.896 29.460 -0.257 0.000 1.150 94 W HN 0.169 nan 8.180 nan 0.000 0.496 95 F N 0.106 120.083 119.950 0.045 0.000 2.095 95 F HA -0.243 4.283 4.527 -0.001 0.000 0.298 95 F C 2.385 178.047 175.800 -0.229 0.000 1.104 95 F CA 1.762 59.697 58.000 -0.107 0.000 1.232 95 F CB -1.280 37.737 39.000 0.029 0.000 0.987 95 F HN -0.200 nan 8.300 nan 0.000 0.475 96 L N -0.641 120.541 121.223 -0.069 0.000 2.043 96 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 96 L C 2.460 179.212 176.870 -0.196 0.000 1.075 96 L CA 0.892 55.642 54.840 -0.150 0.000 0.752 96 L CB -0.727 41.183 42.059 -0.249 0.000 0.891 96 L HN 0.203 nan 8.230 nan 0.000 0.432 97 L N -0.376 120.654 121.223 -0.322 0.000 2.046 97 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 97 L C 1.980 178.640 176.870 -0.350 0.000 1.077 97 L CA 1.901 56.577 54.840 -0.274 0.000 0.747 97 L CB -0.575 41.300 42.059 -0.307 0.000 0.896 97 L HN 0.311 nan 8.230 nan 0.000 0.432 98 N N -1.678 116.686 118.700 -0.559 0.000 2.397 98 N HA -0.011 4.728 4.740 -0.001 0.000 0.190 98 N C -0.118 175.150 175.510 -0.403 0.000 1.099 98 N CA 0.016 52.678 53.050 -0.645 0.000 0.876 98 N CB 0.412 38.073 38.487 -1.378 0.000 1.143 98 N HN 0.327 nan 8.380 nan 0.000 0.468 99 D N 1.965 122.209 120.400 -0.261 0.000 2.339 99 D HA 0.006 4.645 4.640 -0.001 0.000 0.256 99 D C 1.004 177.263 176.300 -0.069 0.000 1.214 99 D CA 0.046 54.010 54.000 -0.060 0.000 0.877 99 D CB 1.662 42.555 40.800 0.155 0.000 1.111 99 D HN -0.056 nan 8.370 nan 0.000 0.478 100 K N 4.376 124.749 120.400 -0.046 0.000 2.147 100 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 100 K C 2.019 178.438 176.600 -0.301 0.000 1.049 100 K CA 1.069 57.309 56.287 -0.077 0.000 0.936 100 K CB -0.036 32.504 32.500 0.066 0.000 0.722 100 K HN 0.479 nan 8.250 nan 0.000 0.446 101 M N -0.228 119.198 119.600 -0.290 0.000 2.117 101 M HA -0.152 4.327 4.480 -0.001 0.000 0.262 101 M C 2.042 178.159 176.300 -0.305 0.000 1.065 101 M CA 1.897 56.849 55.300 -0.581 0.000 1.114 101 M CB -0.193 32.361 32.600 -0.078 0.000 1.361 101 M HN 0.359 nan 8.290 nan 0.000 0.408 102 A N 0.241 122.995 122.820 -0.110 0.000 1.898 102 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 102 A C 2.013 179.580 177.584 -0.029 0.000 1.181 102 A CA 1.506 53.530 52.037 -0.021 0.000 0.620 102 A CB -0.552 18.459 19.000 0.019 0.000 0.819 102 A HN 0.510 nan 8.150 nan 0.000 0.442 103 R N -0.654 119.800 120.500 -0.076 0.000 2.073 103 R HA -0.073 4.266 4.340 -0.001 0.000 0.234 103 R C 2.055 178.335 176.300 -0.033 0.000 1.134 103 R CA 1.426 57.496 56.100 -0.050 0.000 0.952 103 R CB -0.667 29.593 30.300 -0.067 0.000 0.850 103 R HN 0.363 nan 8.270 nan 0.000 0.433 104 V N 1.875 121.710 119.914 -0.132 0.000 2.255 104 V HA -0.319 3.800 4.120 -0.001 0.000 0.247 104 V C 1.673 177.802 176.094 0.058 0.000 1.051 104 V CA 2.207 64.440 62.300 -0.111 0.000 1.018 104 V CB -0.677 30.884 31.823 -0.437 0.000 0.641 104 V HN 0.438 nan 8.190 nan 0.000 0.445 105 N N -0.561 118.173 118.700 0.057 0.000 2.120 105 N HA -0.200 4.540 4.740 -0.001 0.000 0.188 105 N C 1.885 177.569 175.510 0.291 0.000 1.024 105 N CA 1.560 54.743 53.050 0.223 0.000 0.852 105 N CB -0.193 38.413 38.487 0.199 0.000 1.003 105 N HN 0.452 nan 8.380 nan 0.000 0.424 106 M N 1.195 120.940 119.600 0.242 0.000 2.077 106 M HA -0.152 4.328 4.480 -0.001 0.000 0.261 106 M C 1.851 178.357 176.300 0.343 0.000 1.070 106 M CA 1.635 57.136 55.300 0.335 0.000 1.125 106 M CB 0.100 32.782 32.600 0.136 0.000 1.339 106 M HN 0.060 nan 8.290 nan 0.000 0.409 107 E N -0.295 120.040 120.200 0.225 0.000 2.058 107 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 107 E C 1.695 178.488 176.600 0.321 0.000 0.997 107 E CA 1.829 58.372 56.400 0.237 0.000 0.801 107 E CB -0.295 29.504 29.700 0.165 0.000 0.746 107 E HN 0.498 nan 8.360 nan 0.000 0.450 108 F N 2.395 122.413 119.950 0.113 0.000 2.043 108 F HA -0.303 4.223 4.527 -0.001 0.000 0.297 108 F C 1.887 177.720 175.800 0.056 0.000 1.118 108 F CA 1.723 59.739 58.000 0.028 0.000 1.202 108 F CB -0.527 38.424 39.000 -0.081 0.000 0.965 108 F HN 0.006 nan 8.300 nan 0.000 0.482 109 N N -0.807 117.937 118.700 0.073 0.000 2.272 109 N HA -0.211 4.528 4.740 -0.001 0.000 0.185 109 N C 1.787 177.366 175.510 0.115 0.000 1.014 109 N CA 1.470 54.470 53.050 -0.084 0.000 0.870 109 N CB -0.655 37.772 38.487 -0.100 0.000 0.975 109 N HN 0.517 nan 8.380 nan 0.000 0.433 110 H N 0.945 120.214 119.070 0.332 0.000 2.276 110 H HA 0.043 4.598 4.556 -0.001 0.000 0.307 110 H C 1.266 176.710 175.328 0.194 0.000 1.061 110 H CA 1.525 57.787 56.048 0.357 0.000 1.336 110 H CB -0.043 29.912 29.762 0.323 0.000 1.396 110 H HN 0.047 nan 8.280 nan 0.000 0.503 111 D N -0.434 120.030 120.400 0.107 0.000 2.123 111 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 111 D C 2.293 178.650 176.300 0.096 0.000 0.976 111 D CA 1.430 55.457 54.000 0.046 0.000 0.831 111 D CB 0.072 40.954 40.800 0.137 0.000 0.974 111 D HN 0.276 nan 8.370 nan 0.000 0.469 112 V N 1.402 121.326 119.914 0.016 0.000 2.426 112 V HA -0.047 4.073 4.120 -0.001 0.000 0.242 112 V C 1.782 177.855 176.094 -0.035 0.000 1.036 112 V CA 1.087 63.386 62.300 -0.003 0.000 1.044 112 V CB -0.197 31.459 31.823 -0.278 0.000 0.688 112 V HN 0.081 nan 8.190 nan 0.000 0.462 113 N N -1.323 117.236 118.700 -0.236 0.000 2.482 113 N HA 0.013 4.752 4.740 -0.001 0.000 0.179 113 N C 1.655 177.075 175.510 -0.150 0.000 1.039 113 N CA 0.522 53.428 53.050 -0.239 0.000 0.884 113 N CB -0.226 38.009 38.487 -0.420 0.000 1.113 113 N HN 0.472 nan 8.380 nan 0.000 0.440 114 Y N 2.690 122.869 120.300 -0.202 0.000 1.977 114 Y HA -0.346 4.204 4.550 -0.001 0.000 0.264 114 Y C 2.483 178.300 175.900 -0.139 0.000 1.167 114 Y CA 2.278 60.270 58.100 -0.180 0.000 1.102 114 Y CB -0.426 37.971 38.460 -0.105 0.000 0.948 114 Y HN 0.077 nan 8.280 nan 0.000 0.489 115 Q N -0.854 119.032 119.800 0.143 0.000 2.077 115 Q HA -0.196 4.144 4.340 -0.001 0.000 0.206 115 Q C 2.450 178.421 176.000 -0.048 0.000 0.989 115 Q CA 1.570 57.395 55.803 0.037 0.000 0.853 115 Q CB -0.753 27.950 28.738 -0.059 0.000 0.907 115 Q HN 0.700 nan 8.270 nan 0.000 0.418 116 G N 0.213 108.956 108.800 -0.095 0.000 2.470 116 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.220 116 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.220 116 G C 1.256 176.141 174.900 -0.025 0.000 1.121 116 G CA 0.286 45.373 45.100 -0.022 0.000 0.766 116 G HN 0.197 nan 8.290 nan 0.000 0.553 117 L N -0.737 120.404 121.223 -0.138 0.000 2.275 117 L HA 0.098 4.437 4.340 -0.001 0.000 0.215 117 L C 2.370 179.124 176.870 -0.193 0.000 1.119 117 L CA 0.211 54.935 54.840 -0.194 0.000 0.790 117 L CB -0.256 41.622 42.059 -0.302 0.000 0.919 117 L HN 0.241 nan 8.230 nan 0.000 0.443 118 F N 0.528 120.259 119.950 -0.365 0.000 2.202 118 F HA -0.247 4.279 4.527 -0.001 0.000 0.301 118 F C 1.869 177.387 175.800 -0.470 0.000 1.082 118 F CA 1.703 59.428 58.000 -0.458 0.000 1.313 118 F CB -0.159 38.487 39.000 -0.590 0.000 1.024 118 F HN 0.203 nan 8.300 nan 0.000 0.495 119 H N -0.929 118.112 119.070 -0.048 0.000 2.519 119 H HA 0.132 4.687 4.556 -0.001 0.000 0.289 119 H C 1.617 176.863 175.328 -0.136 0.000 1.040 119 H CA 0.115 56.104 56.048 -0.099 0.000 1.165 119 H CB 0.082 29.832 29.762 -0.021 0.000 1.462 119 H HN 0.258 nan 8.280 nan 0.000 0.555 120 L N 0.938 122.097 121.223 -0.107 0.000 2.083 120 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 120 L C 2.257 179.061 176.870 -0.110 0.000 1.083 120 L CA 1.738 56.512 54.840 -0.110 0.000 0.752 120 L CB -0.283 41.687 42.059 -0.149 0.000 0.899 120 L HN 0.362 nan 8.230 nan 0.000 0.433 121 E N -0.219 119.891 120.200 -0.150 0.000 2.048 121 E HA -0.329 4.020 4.350 -0.001 0.000 0.202 121 E C 1.859 178.408 176.600 -0.085 0.000 1.021 121 E CA 2.232 58.553 56.400 -0.131 0.000 0.825 121 E CB -0.101 29.496 29.700 -0.173 0.000 0.756 121 E HN 0.687 nan 8.360 nan 0.000 0.454 122 E N 0.117 120.280 120.200 -0.062 0.000 2.274 122 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 122 E C 1.700 178.279 176.600 -0.037 0.000 0.996 122 E CA 0.842 57.218 56.400 -0.039 0.000 0.840 122 E CB -0.108 29.581 29.700 -0.019 0.000 0.772 122 E HN 0.382 nan 8.360 nan 0.000 0.491 123 A N 1.040 123.837 122.820 -0.038 0.000 1.898 123 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 123 A C 1.948 179.507 177.584 -0.042 0.000 1.181 123 A CA 0.942 52.956 52.037 -0.039 0.000 0.620 123 A CB -0.374 18.600 19.000 -0.043 0.000 0.819 123 A HN 0.148 nan 8.150 nan 0.000 0.442 124 L N -0.836 120.355 121.223 -0.052 0.000 2.027 124 L HA -0.099 4.240 4.340 -0.001 0.000 0.206 124 L C 2.443 179.288 176.870 -0.041 0.000 1.074 124 L CA 1.357 56.167 54.840 -0.050 0.000 0.745 124 L CB -1.404 40.618 42.059 -0.061 0.000 0.898 124 L HN 0.255 nan 8.230 nan 0.000 0.433 125 L N -0.458 120.739 121.223 -0.043 0.000 2.046 125 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 125 L C 2.119 178.971 176.870 -0.029 0.000 1.077 125 L CA 1.755 56.574 54.840 -0.037 0.000 0.747 125 L CB -1.121 40.915 42.059 -0.040 0.000 0.896 125 L HN 0.414 nan 8.230 nan 0.000 0.432 126 N N -1.694 116.989 118.700 -0.028 0.000 2.409 126 N HA 0.103 4.843 4.740 -0.001 0.000 0.174 126 N C 1.030 176.530 175.510 -0.017 0.000 1.037 126 N CA 0.624 53.661 53.050 -0.022 0.000 0.898 126 N CB 0.286 38.758 38.487 -0.024 0.000 1.010 126 N HN 0.404 nan 8.380 nan 0.000 0.445 127 G N 1.226 110.015 108.800 -0.018 0.000 2.132 127 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.228 127 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.228 127 G C -0.234 174.662 174.900 -0.006 0.000 1.000 127 G CA 0.210 45.303 45.100 -0.011 0.000 0.693 127 G HN 0.414 nan 8.290 nan 0.000 0.515 128 R N -1.289 119.204 120.500 -0.011 0.000 2.855 128 R HA 0.770 5.109 4.340 -0.001 0.000 0.266 128 R C -3.066 173.223 176.300 -0.017 0.000 1.034 128 R CA -2.222 53.874 56.100 -0.006 0.000 0.944 128 R CB 0.720 31.019 30.300 -0.000 0.000 1.219 128 R HN 0.010 nan 8.270 nan 0.000 0.474 129 P HA 0.124 nan 4.420 nan 0.000 0.256 129 P C -0.556 176.726 177.300 -0.031 0.000 1.689 129 P CA -0.062 63.021 63.100 -0.029 0.000 1.124 129 P CB 1.256 32.940 31.700 -0.026 0.000 1.766 130 E N 2.785 122.962 120.200 -0.038 0.000 2.204 130 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 130 E C 2.248 178.799 176.600 -0.081 0.000 0.989 130 E CA 1.453 57.817 56.400 -0.060 0.000 0.824 130 E CB -0.798 28.877 29.700 -0.042 0.000 0.756 130 E HN 0.482 nan 8.360 nan 0.000 0.477 131 G N 0.356 109.138 108.800 -0.029 0.000 2.443 131 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.219 131 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.219 131 G C 1.396 176.249 174.900 -0.078 0.000 1.131 131 G CA 0.667 45.757 45.100 -0.017 0.000 0.775 131 G HN 0.338 nan 8.290 nan 0.000 0.547 132 L N 0.536 121.744 121.223 -0.025 0.000 2.353 132 L HA 0.093 4.432 4.340 -0.001 0.000 0.220 132 L C 2.347 179.228 176.870 0.018 0.000 1.133 132 L CA 1.372 56.258 54.840 0.076 0.000 0.798 132 L CB -0.255 41.895 42.059 0.151 0.000 0.922 132 L HN 0.090 nan 8.230 nan 0.000 0.445 133 K N -0.968 119.369 120.400 -0.104 0.000 2.439 133 K HA -0.028 4.291 4.320 -0.001 0.000 0.197 133 K C 1.812 178.295 176.600 -0.194 0.000 1.041 133 K CA 1.137 57.327 56.287 -0.162 0.000 0.970 133 K CB -0.210 32.166 32.500 -0.207 0.000 0.773 133 K HN 0.406 nan 8.250 nan 0.000 0.479 134 V N -0.177 119.580 119.914 -0.262 0.000 3.573 134 V HA -0.061 4.059 4.120 -0.001 0.000 0.270 134 V C 0.945 176.829 176.094 -0.351 0.000 1.221 134 V CA 1.021 63.128 62.300 -0.323 0.000 1.163 134 V CB -0.425 31.168 31.823 -0.384 0.000 0.847 134 V HN 0.045 nan 8.190 nan 0.000 0.468 135 F N 0.788 120.747 119.950 0.015 0.000 2.539 135 F HA 0.725 5.252 4.527 -0.001 0.000 0.277 135 F C 1.504 177.267 175.800 -0.062 0.000 0.925 135 F CA 0.339 58.387 58.000 0.080 0.000 1.193 135 F CB -0.463 38.685 39.000 0.246 0.000 1.128 135 F HN 0.288 nan 8.300 nan 0.000 0.740 136 G N -0.482 108.272 108.800 -0.077 0.000 2.753 136 G HA2 0.442 4.402 3.960 -0.001 0.000 0.303 136 G HA3 0.442 4.402 3.960 -0.001 0.000 0.303 136 G C -1.098 173.392 174.900 -0.683 0.000 1.242 136 G CA -0.247 44.400 45.100 -0.756 0.000 0.810 136 G HN -0.032 nan 8.290 nan 0.000 0.515 137 E N 0.388 120.016 120.200 -0.953 0.000 2.869 137 E HA 0.149 4.498 4.350 -0.001 0.000 0.207 137 E C -0.562 175.817 176.600 -0.369 0.000 0.986 137 E CA -0.816 55.292 56.400 -0.486 0.000 1.131 137 E CB -0.228 29.262 29.700 -0.349 0.000 1.098 137 E HN 0.533 nan 8.360 nan 0.000 0.459 138 W N 1.411 122.709 121.300 -0.002 0.000 2.150 138 W HA 0.232 4.891 4.660 -0.001 0.000 0.341 138 W C -1.597 174.922 176.519 -0.000 0.000 1.276 138 W CA -1.898 55.447 57.345 -0.000 0.000 1.238 138 W CB -0.138 29.318 29.460 -0.006 0.000 1.128 138 W HN -0.039 nan 8.180 nan 0.000 0.581 139 P HA -0.091 nan 4.420 nan 0.000 0.220 139 P C 0.384 177.772 177.300 0.147 0.000 1.148 139 P CA 1.819 65.009 63.100 0.150 0.000 0.803 139 P CB 0.215 31.996 31.700 0.136 0.000 0.782 140 T N -5.493 109.166 114.554 0.176 0.000 2.802 140 T HA 0.331 4.680 4.350 -0.001 0.000 0.311 140 T C 0.478 175.170 174.700 -0.014 0.000 1.405 140 T CA -0.767 61.395 62.100 0.103 0.000 1.016 140 T CB 0.655 69.654 68.868 0.218 0.000 1.352 140 T HN -0.134 nan 8.240 nan 0.000 0.498 141 I N 0.105 120.527 120.570 -0.247 0.000 2.676 141 I HA -0.010 4.159 4.170 -0.001 0.000 0.259 141 I C 1.403 177.164 176.117 -0.594 0.000 1.194 141 I CA 0.840 61.885 61.300 -0.426 0.000 1.473 141 I CB -0.116 37.599 38.000 -0.474 0.000 1.096 141 I HN 0.734 nan 8.210 nan 0.000 0.443 142 Y N 1.422 121.617 120.300 -0.175 0.000 2.145 142 Y HA -0.249 4.300 4.550 -0.001 0.000 0.286 142 Y C 2.470 178.236 175.900 -0.222 0.000 1.145 142 Y CA 1.660 59.654 58.100 -0.177 0.000 1.148 142 Y CB -0.711 37.728 38.460 -0.035 0.000 0.981 142 Y HN 0.235 nan 8.280 nan 0.000 0.507 143 E N -1.043 119.124 120.200 -0.055 0.000 2.216 143 E HA -0.039 4.310 4.350 -0.001 0.000 0.192 143 E C 2.206 178.500 176.600 -0.511 0.000 0.988 143 E CA 0.783 57.106 56.400 -0.128 0.000 0.834 143 E CB -0.279 29.443 29.700 0.037 0.000 0.772 143 E HN 0.515 nan 8.360 nan 0.000 0.479 144 G N 0.881 109.135 108.800 -0.910 0.000 3.042 144 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.212 144 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.212 144 G C 1.365 175.467 174.900 -1.330 0.000 1.166 144 G CA -0.230 43.589 45.100 -2.134 0.000 0.767 144 G HN 0.063 nan 8.290 nan 0.000 0.546 145 L N 2.263 123.003 121.223 -0.805 0.000 1.989 145 L HA -0.097 4.242 4.340 -0.001 0.000 0.211 145 L C 2.639 179.225 176.870 -0.474 0.000 1.071 145 L CA 2.582 57.019 54.840 -0.672 0.000 0.749 145 L CB -0.903 40.775 42.059 -0.635 0.000 0.890 145 L HN 0.207 nan 8.230 nan 0.000 0.431 146 S N -1.183 114.322 115.700 -0.326 0.000 2.626 146 S HA -0.156 4.313 4.470 -0.001 0.000 0.245 146 S C 1.464 175.969 174.600 -0.157 0.000 0.973 146 S CA 0.981 59.082 58.200 -0.165 0.000 0.959 146 S CB -0.468 62.680 63.200 -0.087 0.000 0.762 146 S HN 0.702 nan 8.310 nan 0.000 0.539 147 Q N -0.328 119.309 119.800 -0.271 0.000 2.140 147 Q HA 0.359 4.698 4.340 -0.001 0.000 0.227 147 Q C -0.253 175.675 176.000 -0.121 0.000 0.798 147 Q CA -0.186 55.538 55.803 -0.132 0.000 0.987 147 Q CB 0.482 29.217 28.738 -0.005 0.000 1.161 147 Q HN 0.492 nan 8.270 nan 0.000 0.480 148 L N 1.989 123.039 121.223 -0.288 0.000 2.464 148 L HA 0.249 4.588 4.340 -0.001 0.000 0.264 148 L C -2.031 174.715 176.870 -0.206 0.000 1.199 148 L CA -1.877 52.760 54.840 -0.338 0.000 0.818 148 L CB -0.277 41.450 42.059 -0.554 0.000 1.102 148 L HN -0.160 nan 8.230 nan 0.000 0.473 149 P HA -0.025 nan 4.420 nan 0.000 0.270 149 P C 0.264 177.537 177.300 -0.046 0.000 1.221 149 P CA -0.077 62.977 63.100 -0.077 0.000 0.788 149 P CB 0.450 32.119 31.700 -0.051 0.000 0.904 150 E N 0.615 120.819 120.200 0.007 0.000 2.035 150 E HA -0.340 4.009 4.350 -0.001 0.000 0.204 150 E C 1.763 178.397 176.600 0.057 0.000 1.025 150 E CA 1.468 57.894 56.400 0.042 0.000 0.835 150 E CB -0.404 29.326 29.700 0.050 0.000 0.764 150 E HN 0.436 nan 8.360 nan 0.000 0.457 151 Q N 0.974 120.807 119.800 0.054 0.000 2.096 151 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 151 Q C 2.219 178.267 176.000 0.080 0.000 0.982 151 Q CA 1.423 57.274 55.803 0.080 0.000 0.850 151 Q CB -0.278 28.511 28.738 0.085 0.000 0.901 151 Q HN 0.184 nan 8.270 nan 0.000 0.422 152 V N 0.675 120.596 119.914 0.012 0.000 2.332 152 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 152 V C 2.309 178.408 176.094 0.009 0.000 1.055 152 V CA 2.272 64.549 62.300 -0.037 0.000 1.038 152 V CB -0.725 30.928 31.823 -0.284 0.000 0.651 152 V HN 0.453 nan 8.190 nan 0.000 0.450 153 Q N -0.427 119.365 119.800 -0.014 0.000 2.020 153 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 153 Q C 2.504 178.648 176.000 0.239 0.000 0.982 153 Q CA 1.247 57.060 55.803 0.018 0.000 0.838 153 Q CB -0.309 28.481 28.738 0.088 0.000 0.899 153 Q HN 0.427 nan 8.270 nan 0.000 0.423 154 K N 0.609 121.171 120.400 0.270 0.000 2.032 154 K HA -0.193 4.126 4.320 -0.001 0.000 0.218 154 K C 2.155 178.929 176.600 0.289 0.000 1.054 154 K CA 1.871 58.332 56.287 0.289 0.000 0.941 154 K CB -0.384 32.227 32.500 0.185 0.000 0.720 154 K HN 0.082 nan 8.250 nan 0.000 0.449 155 S N -0.436 115.416 115.700 0.252 0.000 2.383 155 S HA -0.142 4.327 4.470 -0.001 0.000 0.227 155 S C 1.479 176.292 174.600 0.356 0.000 1.026 155 S CA 1.095 59.465 58.200 0.284 0.000 0.981 155 S CB -0.338 63.031 63.200 0.283 0.000 0.818 155 S HN 0.481 nan 8.310 nan 0.000 0.472 156 W N 1.561 122.963 121.300 0.169 0.000 2.335 156 W HA -0.161 4.498 4.660 -0.001 0.000 0.311 156 W C 1.501 178.080 176.519 0.100 0.000 1.213 156 W CA 1.329 58.758 57.345 0.139 0.000 1.274 156 W CB -0.458 28.945 29.460 -0.096 0.000 1.148 156 W HN 0.206 nan 8.180 nan 0.000 0.498 157 F N 0.607 120.841 119.950 0.473 0.000 2.134 157 F HA -0.063 4.463 4.527 -0.001 0.000 0.299 157 F C 2.602 178.457 175.800 0.093 0.000 1.097 157 F CA 1.724 59.901 58.000 0.296 0.000 1.264 157 F CB -1.425 37.748 39.000 0.289 0.000 1.001 157 F HN -0.015 nan 8.300 nan 0.000 0.479 158 G N -0.482 108.487 108.800 0.281 0.000 2.446 158 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.217 158 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.217 158 G C 1.686 176.643 174.900 0.096 0.000 1.168 158 G CA 0.945 46.148 45.100 0.171 0.000 0.771 158 G HN 0.389 nan 8.290 nan 0.000 0.551 159 F N 2.090 121.907 119.950 -0.222 0.000 2.102 159 F HA -0.107 4.419 4.527 -0.001 0.000 0.298 159 F C 2.109 177.721 175.800 -0.313 0.000 1.105 159 F CA 2.048 59.764 58.000 -0.472 0.000 1.239 159 F CB -0.583 37.520 39.000 -1.495 0.000 0.991 159 F HN 0.291 nan 8.300 nan 0.000 0.474 160 D N -1.224 118.666 120.400 -0.850 0.000 2.149 160 D HA -0.294 4.345 4.640 -0.001 0.000 0.198 160 D C 2.130 178.252 176.300 -0.297 0.000 0.990 160 D CA 1.800 55.304 54.000 -0.827 0.000 0.839 160 D CB -0.304 40.064 40.800 -0.720 0.000 0.948 160 D HN 0.591 nan 8.370 nan 0.000 0.460 161 H N -1.442 117.537 119.070 -0.150 0.000 2.343 161 H HA -0.046 4.510 4.556 -0.001 0.000 0.303 161 H C 1.712 176.999 175.328 -0.068 0.000 1.068 161 H CA 1.597 57.626 56.048 -0.032 0.000 1.359 161 H CB -0.532 29.259 29.762 0.047 0.000 1.402 161 H HN 0.223 nan 8.280 nan 0.000 0.515 162 F N -0.067 119.821 119.950 -0.102 0.000 2.202 162 F HA -0.218 4.308 4.527 -0.001 0.000 0.301 162 F C 0.910 176.464 175.800 -0.411 0.000 1.082 162 F CA 1.292 59.147 58.000 -0.240 0.000 1.313 162 F CB -0.199 38.633 39.000 -0.281 0.000 1.024 162 F HN 0.230 nan 8.300 nan 0.000 0.495 163 Y N -1.044 119.109 120.300 -0.244 0.000 2.485 163 Y HA 0.172 4.722 4.550 -0.001 0.000 0.260 163 Y C 1.809 177.644 175.900 -0.108 0.000 1.173 163 Y CA 0.333 58.304 58.100 -0.214 0.000 1.252 163 Y CB 0.179 38.462 38.460 -0.295 0.000 1.123 163 Y HN -0.001 nan 8.280 nan 0.000 0.524 164 S N -1.709 113.936 115.700 -0.092 0.000 3.249 164 S HA 0.012 4.481 4.470 -0.001 0.000 0.237 164 S C 0.431 174.911 174.600 -0.200 0.000 1.007 164 S CA -0.175 57.992 58.200 -0.054 0.000 0.811 164 S CB -0.044 63.144 63.200 -0.020 0.000 0.832 164 S HN 0.316 nan 8.310 nan 0.000 0.573 165 D N 1.006 121.210 120.400 -0.326 0.000 1.951 165 D HA 0.013 4.652 4.640 -0.001 0.000 0.227 165 D C 0.681 176.720 176.300 -0.435 0.000 1.384 165 D CA 1.656 55.418 54.000 -0.397 0.000 0.927 165 D CB 0.220 40.520 40.800 -0.833 0.000 1.608 165 D HN 0.394 nan 8.370 nan 0.000 0.567 166 Q N -2.397 117.168 119.800 -0.393 0.000 4.332 166 Q HA -0.081 4.259 4.340 -0.001 0.000 0.327 166 Q C -0.658 175.133 176.000 -0.349 0.000 0.730 166 Q CA 0.377 55.888 55.803 -0.486 0.000 1.037 166 Q CB -1.198 27.027 28.738 -0.855 0.000 0.987 166 Q HN 0.460 nan 8.270 nan 0.000 0.588 167 S N -1.882 113.484 115.700 -0.557 0.000 4.167 167 S HA 0.652 5.121 4.470 -0.001 0.000 0.168 167 S C -1.083 173.735 174.600 0.364 0.000 1.032 167 S CA 0.554 58.705 58.200 -0.082 0.000 1.146 167 S CB 0.720 63.877 63.200 -0.071 0.000 1.888 167 S HN 0.535 nan 8.310 nan 0.000 0.844 168 F N 0.740 120.713 119.950 0.039 0.000 2.548 168 F HA 0.241 4.767 4.527 -0.001 0.000 0.362 168 F C 0.975 176.815 175.800 0.066 0.000 1.095 168 F CA 0.056 58.109 58.000 0.089 0.000 0.966 168 F CB -0.329 38.803 39.000 0.220 0.000 1.942 168 F HN 0.493 nan 8.300 nan 0.000 0.442 169 G N 0.857 109.747 108.800 0.150 0.000 2.701 169 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.215 169 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.215 169 G C 1.773 176.724 174.900 0.086 0.000 1.297 169 G CA 1.102 46.259 45.100 0.094 0.000 0.807 169 G HN 0.105 nan 8.290 nan 0.000 0.608 170 K N 0.836 121.279 120.400 0.071 0.000 2.023 170 K HA -0.277 4.042 4.320 -0.001 0.000 0.227 170 K C 2.901 179.558 176.600 0.095 0.000 1.054 170 K CA 1.813 58.141 56.287 0.068 0.000 0.977 170 K CB -1.357 31.173 32.500 0.049 0.000 0.733 170 K HN 0.303 nan 8.250 nan 0.000 0.451 171 A N 1.350 124.252 122.820 0.137 0.000 1.884 171 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 171 A C 2.287 179.997 177.584 0.211 0.000 1.197 171 A CA 1.936 54.089 52.037 0.192 0.000 0.637 171 A CB -0.750 18.435 19.000 0.309 0.000 0.827 171 A HN 0.251 nan 8.150 nan 0.000 0.450 172 L N 0.431 121.796 121.223 0.237 0.000 1.971 172 L HA -0.219 4.121 4.340 -0.001 0.000 0.215 172 L C 2.600 179.411 176.870 -0.098 0.000 1.072 172 L CA 2.868 57.720 54.840 0.021 0.000 0.758 172 L CB -1.190 40.679 42.059 -0.318 0.000 0.889 172 L HN 0.754 nan 8.230 nan 0.000 0.433 173 E N -0.990 119.159 120.200 -0.085 0.000 2.265 173 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 173 E C 2.034 178.700 176.600 0.109 0.000 0.996 173 E CA 1.531 57.952 56.400 0.034 0.000 0.832 173 E CB -0.463 29.290 29.700 0.088 0.000 0.756 173 E HN 0.596 nan 8.360 nan 0.000 0.491 174 I N 0.320 120.944 120.570 0.090 0.000 2.193 174 I HA -0.180 3.989 4.170 -0.001 0.000 0.240 174 I C 2.238 178.412 176.117 0.096 0.000 1.084 174 I CA 0.708 62.070 61.300 0.104 0.000 1.365 174 I CB -0.263 37.786 38.000 0.082 0.000 1.064 174 I HN 0.091 nan 8.210 nan 0.000 0.410 175 V N 0.417 120.289 119.914 -0.070 0.000 2.490 175 V HA -0.257 3.862 4.120 -0.001 0.000 0.250 175 V C 1.958 177.940 176.094 -0.186 0.000 1.061 175 V CA 1.943 64.048 62.300 -0.326 0.000 1.064 175 V CB -0.533 31.004 31.823 -0.476 0.000 0.670 175 V HN 0.278 nan 8.190 nan 0.000 0.461 176 F N 0.105 120.073 119.950 0.029 0.000 2.776 176 F HA 0.016 4.542 4.527 -0.001 0.000 0.300 176 F C 2.480 178.329 175.800 0.082 0.000 1.116 176 F CA 0.705 58.769 58.000 0.107 0.000 1.375 176 F CB -0.181 38.926 39.000 0.179 0.000 1.109 176 F HN 0.210 nan 8.300 nan 0.000 0.585 177 S N -0.818 114.991 115.700 0.182 0.000 2.440 177 S HA -0.249 4.221 4.470 -0.001 0.000 0.238 177 S C 1.107 175.486 174.600 -0.370 0.000 1.010 177 S CA 1.421 59.606 58.200 -0.025 0.000 0.972 177 S CB -0.725 62.505 63.200 0.049 0.000 0.774 177 S HN 0.466 nan 8.310 nan 0.000 0.501 178 H N 1.245 120.179 119.070 -0.225 0.000 2.505 178 H HA 0.301 4.857 4.556 -0.001 0.000 0.289 178 H C -0.371 174.855 175.328 -0.171 0.000 1.052 178 H CA -0.170 55.744 56.048 -0.223 0.000 1.156 178 H CB -0.516 29.227 29.762 -0.030 0.000 1.507 178 H HN 0.464 nan 8.280 nan 0.000 0.548 179 H N 0.297 119.501 119.070 0.222 0.000 2.099 179 H HA -0.122 4.433 4.556 -0.001 0.000 0.310 179 H C -2.381 173.041 175.328 0.157 0.000 0.858 179 H CA 0.090 56.269 56.048 0.219 0.000 1.024 179 H CB -1.382 28.477 29.762 0.161 0.000 1.578 179 H HN 0.466 nan 8.280 nan 0.000 0.302 180 P HA 0.228 nan 4.420 nan 0.000 0.285 180 P C 0.847 178.225 177.300 0.130 0.000 1.269 180 P CA -0.710 62.440 63.100 0.083 0.000 0.844 180 P CB 2.102 33.760 31.700 -0.070 0.000 1.094 181 K N 0.827 121.299 120.400 0.120 0.000 2.190 181 K HA 0.116 4.436 4.320 -0.001 0.000 0.202 181 K C 0.281 176.966 176.600 0.142 0.000 1.045 181 K CA 0.572 56.932 56.287 0.122 0.000 0.976 181 K CB 0.399 32.951 32.500 0.088 0.000 0.849 181 K HN 0.373 nan 8.250 nan 0.000 0.468 182 R N 1.901 122.509 120.500 0.180 0.000 2.521 182 R HA 0.230 4.570 4.340 -0.001 0.000 0.295 182 R C -1.394 175.157 176.300 0.419 0.000 1.183 182 R CA -0.628 55.664 56.100 0.319 0.000 0.957 182 R CB 1.536 32.021 30.300 0.308 0.000 1.171 182 R HN 0.031 nan 8.270 nan 0.000 0.494 183 L N 4.522 125.856 121.223 0.187 0.000 2.305 183 L HA 0.419 4.758 4.340 -0.001 0.000 0.281 183 L C -1.040 175.707 176.870 -0.206 0.000 1.085 183 L CA -0.644 54.216 54.840 0.032 0.000 0.813 183 L CB 1.105 43.154 42.059 -0.017 0.000 1.157 183 L HN 0.600 nan 8.230 nan 0.000 0.436 184 L N 5.639 126.561 121.223 -0.502 0.000 2.276 184 L HA 0.428 4.767 4.340 -0.001 0.000 0.286 184 L C -0.832 175.867 176.870 -0.284 0.000 1.024 184 L CA -0.096 54.271 54.840 -0.788 0.000 0.826 184 L CB 0.952 42.198 42.059 -1.355 0.000 1.211 184 L HN 0.693 nan 8.230 nan 0.000 0.422 185 D N 5.953 126.275 120.400 -0.131 0.000 2.412 185 D HA 0.233 4.873 4.640 -0.001 0.000 0.224 185 D C -0.354 175.924 176.300 -0.035 0.000 1.093 185 D CA -0.170 53.861 54.000 0.052 0.000 0.850 185 D CB 0.493 41.387 40.800 0.156 0.000 1.046 185 D HN 0.516 nan 8.370 nan 0.000 0.507 186 I N 3.849 124.326 120.570 -0.155 0.000 2.294 186 I HA 0.331 4.501 4.170 -0.001 0.000 0.295 186 I C 1.476 177.251 176.117 -0.569 0.000 1.098 186 I CA -0.118 60.973 61.300 -0.348 0.000 1.277 186 I CB 0.717 38.391 38.000 -0.545 0.000 1.434 186 I HN 0.749 nan 8.210 nan 0.000 0.498 187 G N 4.330 112.971 108.800 -0.264 0.000 2.179 187 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.220 187 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.220 187 G C 0.651 175.627 174.900 0.126 0.000 0.990 187 G CA -0.261 44.778 45.100 -0.101 0.000 0.646 187 G HN 0.869 nan 8.290 nan 0.000 0.517 188 G N 1.342 110.219 108.800 0.128 0.000 3.101 188 G HA2 0.410 4.369 3.960 -0.001 0.000 0.272 188 G HA3 0.410 4.369 3.960 -0.001 0.000 0.272 188 G C 0.979 175.983 174.900 0.173 0.000 0.801 188 G CA 0.413 45.634 45.100 0.201 0.000 1.978 188 G HN 0.713 nan 8.290 nan 0.000 0.591 189 N N 0.677 119.495 118.700 0.197 0.000 2.575 189 N HA -0.114 4.625 4.740 -0.001 0.000 0.192 189 N C 1.314 176.919 175.510 0.159 0.000 1.200 189 N CA 1.118 54.275 53.050 0.178 0.000 0.897 189 N CB 0.018 38.634 38.487 0.215 0.000 0.990 189 N HN 0.379 nan 8.380 nan 0.000 0.449 190 T N -4.895 109.755 114.554 0.160 0.000 3.023 190 T HA 0.354 4.704 4.350 -0.001 0.000 0.249 190 T C 1.550 176.303 174.700 0.088 0.000 1.050 190 T CA 0.667 62.846 62.100 0.131 0.000 1.088 190 T CB 0.049 69.015 68.868 0.163 0.000 0.946 190 T HN 0.268 nan 8.240 nan 0.000 0.480 191 G N 1.934 110.782 108.800 0.081 0.000 2.199 191 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.254 191 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.254 191 G C 1.074 175.960 174.900 -0.024 0.000 0.982 191 G CA 0.478 45.589 45.100 0.018 0.000 0.632 191 G HN 0.435 nan 8.290 nan 0.000 0.529 192 K N 0.012 120.432 120.400 0.033 0.000 2.044 192 K HA -0.117 4.203 4.320 -0.001 0.000 0.210 192 K C 1.962 178.469 176.600 -0.156 0.000 1.049 192 K CA 1.770 58.065 56.287 0.013 0.000 0.927 192 K CB -0.704 31.886 32.500 0.151 0.000 0.713 192 K HN 0.755 nan 8.250 nan 0.000 0.443 193 W N 1.430 122.486 121.300 -0.406 0.000 2.354 193 W HA -0.193 4.466 4.660 -0.001 0.000 0.315 193 W C 1.892 178.051 176.519 -0.599 0.000 1.206 193 W CA 1.891 58.737 57.345 -0.832 0.000 1.290 193 W CB -0.181 28.782 29.460 -0.828 0.000 1.152 193 W HN 0.110 nan 8.180 nan 0.000 0.489 194 A N 0.739 123.220 122.820 -0.565 0.000 1.972 194 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 194 A C 1.894 179.195 177.584 -0.473 0.000 1.169 194 A CA 2.338 54.035 52.037 -0.567 0.000 0.635 194 A CB -1.271 17.569 19.000 -0.268 0.000 0.810 194 A HN 0.359 nan 8.150 nan 0.000 0.446 195 T N 0.049 114.390 114.554 -0.354 0.000 2.652 195 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 195 T C 2.123 176.623 174.700 -0.332 0.000 1.039 195 T CA 1.639 63.581 62.100 -0.263 0.000 1.153 195 T CB -0.263 68.507 68.868 -0.163 0.000 0.863 195 T HN 0.499 nan 8.240 nan 0.000 0.428 196 Q N 0.505 120.030 119.800 -0.458 0.000 2.061 196 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 196 Q C 2.772 178.432 176.000 -0.566 0.000 0.984 196 Q CA 1.203 56.712 55.803 -0.490 0.000 0.846 196 Q CB -1.354 26.986 28.738 -0.662 0.000 0.902 196 Q HN 0.567 nan 8.270 nan 0.000 0.421 197 C N -0.074 118.725 119.300 -0.835 0.000 2.418 197 C HA -0.122 4.337 4.460 -0.001 0.000 0.280 197 C C 2.856 177.643 174.990 -0.337 0.000 1.223 197 C CA 0.685 59.354 59.018 -0.583 0.000 1.736 197 C CB -1.239 26.157 27.740 -0.574 0.000 2.056 197 C HN 0.322 nan 8.230 nan 0.000 0.459 198 V N 0.551 120.291 119.914 -0.291 0.000 2.252 198 V HA -0.369 3.750 4.120 -0.001 0.000 0.255 198 V C 2.461 178.444 176.094 -0.185 0.000 1.071 198 V CA 2.435 64.616 62.300 -0.200 0.000 1.050 198 V CB -0.699 31.007 31.823 -0.195 0.000 0.654 198 V HN 0.667 nan 8.190 nan 0.000 0.448 199 Q N -2.554 117.132 119.800 -0.190 0.000 2.435 199 Q HA -0.141 4.199 4.340 -0.001 0.000 0.207 199 Q C 1.802 177.711 176.000 -0.152 0.000 0.956 199 Q CA 1.329 57.041 55.803 -0.151 0.000 0.917 199 Q CB -0.009 28.654 28.738 -0.125 0.000 0.997 199 Q HN 0.865 nan 8.270 nan 0.000 0.497 200 Y N 1.159 121.244 120.300 -0.358 0.000 2.222 200 Y HA 0.038 4.588 4.550 -0.001 0.000 0.290 200 Y C 0.765 176.386 175.900 -0.465 0.000 1.123 200 Y CA 0.468 58.315 58.100 -0.422 0.000 1.120 200 Y CB 0.429 38.543 38.460 -0.575 0.000 1.060 200 Y HN -0.006 nan 8.280 nan 0.000 0.508 201 N N 0.937 119.358 118.700 -0.466 0.000 2.421 201 N HA 0.095 4.834 4.740 -0.001 0.000 0.285 201 N C -0.389 175.006 175.510 -0.192 0.000 1.027 201 N CA -0.207 52.611 53.050 -0.387 0.000 0.918 201 N CB 1.518 39.788 38.487 -0.363 0.000 1.152 201 N HN 0.049 nan 8.380 nan 0.000 0.485 202 K N 1.354 121.665 120.400 -0.148 0.000 2.487 202 K HA 0.024 4.343 4.320 -0.001 0.000 0.192 202 K C 0.418 176.990 176.600 -0.047 0.000 1.027 202 K CA 0.417 56.644 56.287 -0.099 0.000 1.054 202 K CB 0.022 32.462 32.500 -0.100 0.000 0.824 202 K HN 0.821 nan 8.250 nan 0.000 0.510 203 E N -0.693 119.502 120.200 -0.009 0.000 2.862 203 E HA 0.021 4.371 4.350 -0.001 0.000 0.204 203 E C -0.406 176.236 176.600 0.070 0.000 0.966 203 E CA -0.212 56.202 56.400 0.023 0.000 1.257 203 E CB -0.459 29.255 29.700 0.022 0.000 1.053 203 E HN -0.113 nan 8.360 nan 0.000 0.487 204 V N 1.159 121.135 119.914 0.104 0.000 2.715 204 V HA 0.254 4.374 4.120 -0.001 0.000 0.299 204 V C -0.581 175.565 176.094 0.087 0.000 1.054 204 V CA 0.127 62.520 62.300 0.156 0.000 1.077 204 V CB 1.216 33.219 31.823 0.300 0.000 0.972 204 V HN 0.270 nan 8.190 nan 0.000 0.484 205 E N 3.727 123.992 120.200 0.108 0.000 2.165 205 E HA 0.542 4.891 4.350 -0.001 0.000 0.266 205 E C -1.246 175.426 176.600 0.119 0.000 0.889 205 E CA -0.409 56.048 56.400 0.095 0.000 0.756 205 E CB 2.041 31.847 29.700 0.176 0.000 1.131 205 E HN 0.606 nan 8.360 nan 0.000 0.411 206 V N 3.529 123.448 119.914 0.008 0.000 2.394 206 V HA 0.392 4.511 4.120 -0.001 0.000 0.282 206 V C -0.266 175.844 176.094 0.026 0.000 1.031 206 V CA -0.487 61.803 62.300 -0.017 0.000 0.881 206 V CB 1.851 33.595 31.823 -0.132 0.000 0.982 206 V HN 0.704 nan 8.190 nan 0.000 0.451 207 T N 6.436 121.010 114.554 0.034 0.000 2.791 207 T HA 0.601 4.950 4.350 -0.001 0.000 0.288 207 T C -0.241 174.450 174.700 -0.016 0.000 0.999 207 T CA -0.141 62.008 62.100 0.081 0.000 0.952 207 T CB 0.761 69.721 68.868 0.153 0.000 0.938 207 T HN 0.360 nan 8.240 nan 0.000 0.444 208 I N 3.130 123.731 120.570 0.051 0.000 2.353 208 I HA 0.413 4.582 4.170 -0.001 0.000 0.293 208 I C -0.120 176.057 176.117 0.100 0.000 0.992 208 I CA -0.877 60.454 61.300 0.051 0.000 1.268 208 I CB 1.368 39.407 38.000 0.065 0.000 1.387 208 I HN 0.240 nan 8.210 nan 0.000 0.478 209 V N 5.551 125.515 119.914 0.083 0.000 2.483 209 V HA 0.599 4.718 4.120 -0.001 0.000 0.295 209 V C -0.302 175.869 176.094 0.129 0.000 1.035 209 V CA -0.142 62.253 62.300 0.159 0.000 0.896 209 V CB 1.757 33.692 31.823 0.188 0.000 0.986 209 V HN 0.780 nan 8.190 nan 0.000 0.447 210 D N 1.971 122.462 120.400 0.152 0.000 2.972 210 D HA 0.195 4.835 4.640 -0.001 0.000 0.294 210 D C -1.360 175.016 176.300 0.128 0.000 1.211 210 D CA -0.633 53.460 54.000 0.154 0.000 0.732 210 D CB 1.085 41.975 40.800 0.150 0.000 1.257 210 D HN 0.251 nan 8.370 nan 0.000 0.435 211 L N 2.197 123.501 121.223 0.134 0.000 2.456 211 L HA 0.253 4.593 4.340 -0.001 0.000 0.272 211 L C -1.172 175.746 176.870 0.081 0.000 1.189 211 L CA -0.673 54.227 54.840 0.100 0.000 0.846 211 L CB 0.156 42.279 42.059 0.107 0.000 1.111 211 L HN 0.357 nan 8.230 nan 0.000 0.475 212 P HA -0.224 nan 4.420 nan 0.000 0.215 212 P C 1.185 178.518 177.300 0.054 0.000 1.157 212 P CA 1.162 64.288 63.100 0.043 0.000 0.874 212 P CB 0.138 31.854 31.700 0.026 0.000 0.790 213 Q N -0.696 119.138 119.800 0.057 0.000 2.173 213 Q HA -0.251 4.088 4.340 -0.001 0.000 0.208 213 Q C 2.255 178.300 176.000 0.074 0.000 0.989 213 Q CA 1.810 57.648 55.803 0.060 0.000 0.872 213 Q CB -1.069 27.704 28.738 0.058 0.000 0.909 213 Q HN 0.293 nan 8.270 nan 0.000 0.420 214 Q N -0.503 119.352 119.800 0.092 0.000 2.269 214 Q HA 0.117 4.456 4.340 -0.001 0.000 0.201 214 Q C 1.416 177.478 176.000 0.104 0.000 0.946 214 Q CA 0.656 56.529 55.803 0.116 0.000 0.877 214 Q CB 0.245 29.071 28.738 0.146 0.000 0.963 214 Q HN 0.417 nan 8.270 nan 0.000 0.472 215 L N -0.023 121.253 121.223 0.088 0.000 2.418 215 L HA 0.045 4.384 4.340 -0.001 0.000 0.218 215 L C 2.155 179.063 176.870 0.063 0.000 1.125 215 L CA 0.628 55.515 54.840 0.078 0.000 0.835 215 L CB -0.177 41.928 42.059 0.076 0.000 0.953 215 L HN 0.293 nan 8.230 nan 0.000 0.454 216 E N 0.390 120.625 120.200 0.057 0.000 2.106 216 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 216 E C 2.284 178.910 176.600 0.044 0.000 0.984 216 E CA 1.019 57.447 56.400 0.046 0.000 0.806 216 E CB 0.133 29.858 29.700 0.041 0.000 0.750 216 E HN 0.337 nan 8.360 nan 0.000 0.458 217 M N 0.517 120.149 119.600 0.052 0.000 2.132 217 M HA -0.150 4.329 4.480 -0.001 0.000 0.263 217 M C 2.366 178.692 176.300 0.044 0.000 1.065 217 M CA 1.115 56.442 55.300 0.045 0.000 1.122 217 M CB -0.734 31.899 32.600 0.055 0.000 1.365 217 M HN 0.310 nan 8.290 nan 0.000 0.411 218 M N 0.070 119.705 119.600 0.059 0.000 2.106 218 M HA -0.249 4.231 4.480 -0.001 0.000 0.259 218 M C 1.938 178.258 176.300 0.034 0.000 1.068 218 M CA 1.869 57.200 55.300 0.053 0.000 1.100 218 M CB -0.599 32.040 32.600 0.064 0.000 1.351 218 M HN 0.212 nan 8.290 nan 0.000 0.404 219 R N -0.243 120.278 120.500 0.035 0.000 2.075 219 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 219 R C 2.399 178.710 176.300 0.017 0.000 1.126 219 R CA 0.959 57.074 56.100 0.025 0.000 0.963 219 R CB -0.356 29.963 30.300 0.032 0.000 0.858 219 R HN 0.250 nan 8.270 nan 0.000 0.435 220 K N 1.328 121.739 120.400 0.019 0.000 1.988 220 K HA -0.269 4.050 4.320 -0.001 0.000 0.221 220 K C 2.005 178.608 176.600 0.006 0.000 1.053 220 K CA 1.804 58.097 56.287 0.011 0.000 0.959 220 K CB -0.404 32.102 32.500 0.010 0.000 0.728 220 K HN 0.184 nan 8.250 nan 0.000 0.447 221 Q N -0.691 119.114 119.800 0.008 0.000 2.234 221 Q HA -0.106 4.233 4.340 -0.001 0.000 0.206 221 Q C 1.235 177.238 176.000 0.005 0.000 0.980 221 Q CA 1.621 57.428 55.803 0.007 0.000 0.869 221 Q CB 0.045 28.794 28.738 0.017 0.000 0.912 221 Q HN 0.221 nan 8.270 nan 0.000 0.436 222 T N -0.625 113.930 114.554 0.003 0.000 3.069 222 T HA 0.366 4.715 4.350 -0.001 0.000 0.252 222 T C -0.210 174.482 174.700 -0.013 0.000 1.053 222 T CA 0.263 62.357 62.100 -0.009 0.000 0.964 222 T CB 0.037 68.897 68.868 -0.013 0.000 1.005 222 T HN 0.326 nan 8.240 nan 0.000 0.532 223 A N 0.534 123.350 122.820 -0.006 0.000 2.561 223 A HA 0.457 4.777 4.320 -0.001 0.000 0.251 223 A C 1.531 179.109 177.584 -0.010 0.000 1.062 223 A CA 0.492 52.526 52.037 -0.006 0.000 0.761 223 A CB -0.883 18.116 19.000 -0.001 0.000 0.986 223 A HN 0.872 nan 8.150 nan 0.000 0.510 224 G N 1.998 110.791 108.800 -0.012 0.000 2.390 224 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.299 224 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.299 224 G C 0.090 174.978 174.900 -0.021 0.000 1.002 224 G CA 0.755 45.846 45.100 -0.016 0.000 0.979 224 G HN 0.771 nan 8.290 nan 0.000 0.513 225 L N -0.732 120.475 121.223 -0.028 0.000 2.469 225 L HA 0.370 4.710 4.340 -0.001 0.000 0.253 225 L C 1.834 178.677 176.870 -0.045 0.000 1.143 225 L CA -0.401 54.418 54.840 -0.036 0.000 0.804 225 L CB 1.047 43.081 42.059 -0.041 0.000 1.214 225 L HN 0.101 nan 8.230 nan 0.000 0.476 226 S N 0.082 115.751 115.700 -0.052 0.000 2.603 226 S HA 0.016 4.486 4.470 -0.001 0.000 0.229 226 S C 0.954 175.514 174.600 -0.066 0.000 0.972 226 S CA 0.879 59.046 58.200 -0.055 0.000 0.935 226 S CB -0.041 63.126 63.200 -0.054 0.000 0.769 226 S HN 0.896 nan 8.310 nan 0.000 0.536 227 G N 0.485 109.238 108.800 -0.078 0.000 4.596 227 G HA2 0.132 4.091 3.960 -0.001 0.000 0.276 227 G HA3 0.132 4.091 3.960 -0.001 0.000 0.276 227 G C 0.701 175.543 174.900 -0.096 0.000 1.013 227 G CA 0.178 45.225 45.100 -0.088 0.000 0.778 227 G HN 0.423 nan 8.290 nan 0.000 0.389 228 S N 0.490 116.140 115.700 -0.084 0.000 2.555 228 S HA -0.054 4.415 4.470 -0.001 0.000 0.230 228 S C 1.567 176.110 174.600 -0.096 0.000 0.978 228 S CA 1.076 59.221 58.200 -0.092 0.000 0.934 228 S CB 0.066 63.227 63.200 -0.064 0.000 0.766 228 S HN 0.368 nan 8.310 nan 0.000 0.533 229 E N 1.801 121.958 120.200 -0.072 0.000 2.409 229 E HA 0.009 4.359 4.350 -0.001 0.000 0.198 229 E C 1.598 178.139 176.600 -0.098 0.000 1.024 229 E CA 0.588 56.961 56.400 -0.045 0.000 0.861 229 E CB -0.272 29.422 29.700 -0.011 0.000 0.788 229 E HN 0.556 nan 8.360 nan 0.000 0.521 230 R N 0.276 120.672 120.500 -0.173 0.000 2.427 230 R HA 0.332 4.671 4.340 -0.001 0.000 0.262 230 R C -0.222 175.790 176.300 -0.480 0.000 0.943 230 R CA -0.110 55.829 56.100 -0.269 0.000 1.081 230 R CB 0.332 30.561 30.300 -0.119 0.000 1.166 230 R HN 0.148 nan 8.270 nan 0.000 0.534 231 I N 0.736 121.020 120.570 -0.476 0.000 2.362 231 I HA 0.224 4.393 4.170 -0.001 0.000 0.289 231 I C -0.392 175.492 176.117 -0.387 0.000 0.994 231 I CA -0.585 60.488 61.300 -0.378 0.000 1.158 231 I CB 1.271 39.158 38.000 -0.189 0.000 1.315 231 I HN 0.073 nan 8.210 nan 0.000 0.451 232 H N 3.330 122.425 119.070 0.041 0.000 2.572 232 H HA 0.655 5.210 4.556 -0.001 0.000 0.359 232 H C 0.164 175.542 175.328 0.083 0.000 1.134 232 H CA -0.866 55.222 56.048 0.068 0.000 1.187 232 H CB 1.926 31.745 29.762 0.095 0.000 1.597 232 H HN 0.683 nan 8.280 nan 0.000 0.524 233 G N 0.354 109.290 108.800 0.227 0.000 2.410 233 G HA2 0.282 4.241 3.960 -0.001 0.000 0.330 233 G HA3 0.282 4.241 3.960 -0.001 0.000 0.330 233 G C -1.281 173.755 174.900 0.227 0.000 1.142 233 G CA -0.285 44.923 45.100 0.179 0.000 0.902 233 G HN 0.742 nan 8.290 nan 0.000 0.491 234 H N 0.764 119.897 119.070 0.104 0.000 3.177 234 H HA 0.387 4.942 4.556 -0.001 0.000 0.314 234 H C 0.419 175.800 175.328 0.088 0.000 1.059 234 H CA -0.389 55.719 56.048 0.100 0.000 1.515 234 H CB 0.721 30.557 29.762 0.123 0.000 1.672 234 H HN 0.774 nan 8.280 nan 0.000 0.514 235 G N 2.492 111.152 108.800 -0.233 0.000 2.484 235 G HA2 0.427 4.386 3.960 -0.001 0.000 0.235 235 G HA3 0.427 4.386 3.960 -0.001 0.000 0.235 235 G C -0.516 174.251 174.900 -0.223 0.000 1.282 235 G CA 0.393 45.400 45.100 -0.154 0.000 0.857 235 G HN 0.754 nan 8.290 nan 0.000 0.571 236 A N 1.369 124.171 122.820 -0.030 0.000 2.586 236 A HA 0.621 4.940 4.320 -0.001 0.000 0.290 236 A C 0.394 178.009 177.584 0.053 0.000 1.086 236 A CA -0.342 51.707 52.037 0.021 0.000 0.665 236 A CB 1.017 20.095 19.000 0.131 0.000 1.279 236 A HN 0.712 nan 8.150 nan 0.000 0.423 237 N N -0.212 118.513 118.700 0.043 0.000 2.184 237 N HA 0.135 4.874 4.740 -0.001 0.000 0.206 237 N C -0.335 175.224 175.510 0.081 0.000 1.151 237 N CA 0.397 53.486 53.050 0.065 0.000 0.878 237 N CB -0.054 38.461 38.487 0.046 0.000 1.014 237 N HN 0.848 nan 8.380 nan 0.000 0.512 238 L N 1.300 122.555 121.223 0.054 0.000 3.677 238 L HA -0.194 4.146 4.340 -0.001 0.000 0.464 238 L C -1.103 175.786 176.870 0.031 0.000 1.278 238 L CA 0.396 55.271 54.840 0.058 0.000 0.806 238 L CB -1.449 40.720 42.059 0.183 0.000 1.610 238 L HN 0.297 nan 8.230 nan 0.000 0.867 239 L N -0.167 121.052 121.223 -0.007 0.000 2.381 239 L HA 0.277 4.617 4.340 -0.001 0.000 0.274 239 L C 1.251 178.104 176.870 -0.028 0.000 0.988 239 L CA -0.434 54.407 54.840 0.002 0.000 0.824 239 L CB 1.811 43.884 42.059 0.024 0.000 1.263 239 L HN 0.073 nan 8.230 nan 0.000 0.410 240 D N 1.315 121.705 120.400 -0.017 0.000 2.345 240 D HA -0.214 4.425 4.640 -0.001 0.000 0.190 240 D C 1.301 177.577 176.300 -0.040 0.000 1.024 240 D CA 1.681 55.666 54.000 -0.025 0.000 0.893 240 D CB 0.226 41.023 40.800 -0.006 0.000 0.907 240 D HN 0.377 nan 8.370 nan 0.000 0.452 241 R N 0.615 121.098 120.500 -0.029 0.000 3.325 241 R HA -0.097 4.242 4.340 -0.001 0.000 0.269 241 R C 1.410 177.678 176.300 -0.054 0.000 1.073 241 R CA 0.209 56.291 56.100 -0.030 0.000 1.142 241 R CB -0.474 29.816 30.300 -0.017 0.000 1.050 241 R HN 0.234 nan 8.270 nan 0.000 0.513 242 D N 0.408 120.783 120.400 -0.041 0.000 2.558 242 D HA -0.220 4.420 4.640 -0.001 0.000 0.190 242 D C 1.172 177.409 176.300 -0.105 0.000 1.047 242 D CA 2.661 56.632 54.000 -0.049 0.000 0.880 242 D CB -0.019 40.766 40.800 -0.024 0.000 0.926 242 D HN 0.303 nan 8.370 nan 0.000 0.465 243 V N 1.133 120.976 119.914 -0.118 0.000 2.088 243 V HA -0.227 3.892 4.120 -0.001 0.000 0.109 243 V C -1.814 174.021 176.094 -0.431 0.000 0.665 243 V CA 0.844 63.011 62.300 -0.221 0.000 1.418 243 V CB -2.260 29.430 31.823 -0.222 0.000 1.636 243 V HN 0.328 nan 8.190 nan 0.000 0.737 244 P HA 0.051 nan 4.420 nan 0.000 0.269 244 P C -0.358 176.772 177.300 -0.284 0.000 1.211 244 P CA 0.172 63.131 63.100 -0.235 0.000 0.781 244 P CB 0.461 32.124 31.700 -0.062 0.000 0.877 245 F N 0.949 120.922 119.950 0.038 0.000 2.399 245 F HA 0.391 4.917 4.527 -0.001 0.000 0.334 245 F C -1.273 174.536 175.800 0.015 0.000 1.097 245 F CA -2.070 55.945 58.000 0.024 0.000 1.076 245 F CB -0.568 38.444 39.000 0.019 0.000 1.162 245 F HN 0.215 nan 8.300 nan 0.000 0.495 246 P HA 0.023 nan 4.420 nan 0.000 0.275 246 P C -0.614 176.827 177.300 0.235 0.000 1.255 246 P CA 0.203 63.369 63.100 0.110 0.000 0.843 246 P CB 0.294 32.121 31.700 0.211 0.000 0.948 247 T N -2.075 112.516 114.554 0.062 0.000 2.841 247 T HA 0.589 4.938 4.350 -0.001 0.000 0.296 247 T C 0.200 174.697 174.700 -0.337 0.000 1.166 247 T CA 0.077 62.165 62.100 -0.021 0.000 1.007 247 T CB 1.722 70.584 68.868 -0.009 0.000 1.253 247 T HN 0.712 nan 8.240 nan 0.000 0.511 248 G N 0.786 109.449 108.800 -0.228 0.000 2.204 248 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.244 248 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.244 248 G C -0.485 174.172 174.900 -0.404 0.000 1.062 248 G CA -0.522 44.404 45.100 -0.289 0.000 0.798 248 G HN 0.457 nan 8.290 nan 0.000 0.496 249 F N 0.259 120.212 119.950 0.005 0.000 2.458 249 F HA 0.474 5.000 4.527 -0.001 0.000 0.336 249 F C 1.041 176.844 175.800 0.005 0.000 1.114 249 F CA -1.339 56.666 58.000 0.008 0.000 0.987 249 F CB 1.534 40.537 39.000 0.004 0.000 1.130 249 F HN -0.007 nan 8.300 nan 0.000 0.458 250 D N 1.810 122.336 120.400 0.210 0.000 2.323 250 D HA 0.165 4.804 4.640 -0.001 0.000 0.209 250 D C 0.360 176.723 176.300 0.105 0.000 0.973 250 D CA 0.629 54.701 54.000 0.120 0.000 0.874 250 D CB 0.535 41.396 40.800 0.101 0.000 0.930 250 D HN 0.417 nan 8.370 nan 0.000 0.521 251 A N 0.332 123.237 122.820 0.143 0.000 2.475 251 A HA 0.607 4.927 4.320 -0.001 0.000 0.301 251 A C -0.928 176.721 177.584 0.108 0.000 1.059 251 A CA -0.509 51.621 52.037 0.155 0.000 0.710 251 A CB 2.184 21.288 19.000 0.172 0.000 1.288 251 A HN -0.092 nan 8.150 nan 0.000 0.408 252 V N 2.147 122.127 119.914 0.110 0.000 2.760 252 V HA 0.673 4.792 4.120 -0.001 0.000 0.309 252 V C -1.064 175.124 176.094 0.156 0.000 1.077 252 V CA -0.533 61.776 62.300 0.014 0.000 0.910 252 V CB 1.947 33.699 31.823 -0.118 0.000 1.008 252 V HN 0.931 nan 8.190 nan 0.000 0.424 253 W N 6.366 127.596 121.300 -0.118 0.000 3.022 253 W HA 0.817 5.476 4.660 -0.001 0.000 0.335 253 W C -2.023 174.384 176.519 -0.187 0.000 1.133 253 W CA -1.134 56.143 57.345 -0.114 0.000 1.219 253 W CB 2.203 31.589 29.460 -0.124 0.000 1.409 253 W HN 0.581 nan 8.180 nan 0.000 0.507 254 M N 5.243 124.382 119.600 -0.767 0.000 2.215 254 M HA 0.138 4.618 4.480 -0.001 0.000 0.251 254 M C -0.895 175.064 176.300 -0.568 0.000 0.987 254 M CA -0.039 54.991 55.300 -0.450 0.000 1.025 254 M CB 2.202 34.711 32.600 -0.151 0.000 2.064 254 M HN 0.294 nan 8.290 nan 0.000 0.473 255 S N 1.972 117.497 115.700 -0.293 0.000 2.502 255 S HA 0.392 4.862 4.470 -0.001 0.000 0.304 255 S C 0.273 174.958 174.600 0.141 0.000 1.097 255 S CA -0.198 57.906 58.200 -0.159 0.000 1.045 255 S CB 1.103 64.307 63.200 0.007 0.000 1.019 255 S HN 0.759 nan 8.310 nan 0.000 0.481 256 Q N 1.240 121.127 119.800 0.145 0.000 2.397 256 Q HA -0.235 4.104 4.340 -0.001 0.000 0.253 256 Q C -0.551 175.616 176.000 0.279 0.000 1.026 256 Q CA 1.087 57.015 55.803 0.209 0.000 1.066 256 Q CB -1.723 27.131 28.738 0.192 0.000 1.553 256 Q HN 0.670 nan 8.270 nan 0.000 0.538 257 F N 0.018 120.049 119.950 0.135 0.000 2.421 257 F HA 0.433 4.960 4.527 -0.001 0.000 0.337 257 F C 1.436 177.406 175.800 0.283 0.000 1.105 257 F CA 0.041 58.166 58.000 0.208 0.000 1.049 257 F CB 0.724 39.827 39.000 0.173 0.000 1.139 257 F HN 0.119 nan 8.300 nan 0.000 0.479 258 L N 3.159 124.241 121.223 -0.236 0.000 4.383 258 L HA -0.316 4.024 4.340 -0.001 0.000 0.402 258 L C 0.104 177.083 176.870 0.181 0.000 0.803 258 L CA 1.838 56.772 54.840 0.157 0.000 2.175 258 L CB -1.760 40.343 42.059 0.074 0.000 1.434 258 L HN 0.732 nan 8.230 nan 0.000 0.591 259 D N 0.040 120.429 120.400 -0.018 0.000 2.363 259 D HA 0.038 4.677 4.640 -0.001 0.000 0.220 259 D C 1.282 177.138 176.300 -0.739 0.000 0.994 259 D CA 1.021 54.763 54.000 -0.430 0.000 0.890 259 D CB -0.541 40.063 40.800 -0.327 0.000 0.906 259 D HN 0.590 nan 8.370 nan 0.000 0.530 260 C N -0.157 118.802 119.300 -0.569 0.000 2.492 260 C HA 0.536 4.996 4.460 -0.001 0.000 0.317 260 C C -0.377 174.027 174.990 -0.976 0.000 1.347 260 C CA -1.174 57.437 59.018 -0.679 0.000 1.759 260 C CB -2.293 25.250 27.740 -0.329 0.000 2.127 260 C HN 0.015 nan 8.230 nan 0.000 0.579 261 F N -0.190 119.602 119.950 -0.264 0.000 2.599 261 F HA 0.514 5.040 4.527 -0.001 0.000 0.311 261 F C 0.731 176.461 175.800 -0.116 0.000 1.076 261 F CA -0.631 57.274 58.000 -0.158 0.000 0.937 261 F CB 0.868 39.774 39.000 -0.157 0.000 1.282 261 F HN -0.149 nan 8.300 nan 0.000 0.460 262 S N 0.586 116.371 115.700 0.142 0.000 2.564 262 S HA -0.058 4.412 4.470 -0.001 0.000 0.263 262 S C 1.239 175.920 174.600 0.135 0.000 1.378 262 S CA -0.220 58.035 58.200 0.091 0.000 0.996 262 S CB 0.349 63.601 63.200 0.086 0.000 0.881 262 S HN 0.712 nan 8.310 nan 0.000 0.555 263 E N 0.957 121.229 120.200 0.120 0.000 2.072 263 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 263 E C 1.947 178.596 176.600 0.082 0.000 0.985 263 E CA 0.868 57.349 56.400 0.135 0.000 0.801 263 E CB -0.072 29.695 29.700 0.111 0.000 0.750 263 E HN 0.596 nan 8.360 nan 0.000 0.452 264 E N 1.071 121.309 120.200 0.064 0.000 2.077 264 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 264 E C 1.982 178.607 176.600 0.040 0.000 0.989 264 E CA 0.932 57.358 56.400 0.044 0.000 0.800 264 E CB -0.098 29.624 29.700 0.038 0.000 0.746 264 E HN 0.383 nan 8.360 nan 0.000 0.452 265 E N 0.659 120.895 120.200 0.059 0.000 2.106 265 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 265 E C 2.269 178.849 176.600 -0.034 0.000 0.984 265 E CA 0.760 57.179 56.400 0.032 0.000 0.806 265 E CB 0.020 29.787 29.700 0.111 0.000 0.750 265 E HN 0.050 nan 8.360 nan 0.000 0.458 266 V N 1.488 121.415 119.914 0.022 0.000 2.427 266 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 266 V C 2.143 178.226 176.094 -0.018 0.000 1.051 266 V CA 1.365 63.665 62.300 -0.001 0.000 1.048 266 V CB -0.279 31.613 31.823 0.114 0.000 0.666 266 V HN 0.236 nan 8.190 nan 0.000 0.456 267 I N -0.595 119.974 120.570 -0.002 0.000 2.439 267 I HA -0.158 4.011 4.170 -0.001 0.000 0.251 267 I C 2.631 178.750 176.117 0.003 0.000 1.139 267 I CA 1.387 62.682 61.300 -0.008 0.000 1.438 267 I CB -0.375 37.624 38.000 -0.002 0.000 1.085 267 I HN 0.274 nan 8.210 nan 0.000 0.427 268 S N 1.322 117.026 115.700 0.005 0.000 2.348 268 S HA -0.135 4.335 4.470 -0.001 0.000 0.221 268 S C 2.101 176.732 174.600 0.051 0.000 1.033 268 S CA 1.341 59.552 58.200 0.018 0.000 1.010 268 S CB -0.284 62.920 63.200 0.008 0.000 0.891 268 S HN 0.319 nan 8.310 nan 0.000 0.442 269 I N 1.370 121.959 120.570 0.031 0.000 2.264 269 I HA -0.199 3.970 4.170 -0.001 0.000 0.248 269 I C 2.196 178.395 176.117 0.137 0.000 1.111 269 I CA 1.109 62.486 61.300 0.129 0.000 1.382 269 I CB -0.337 37.667 38.000 0.007 0.000 1.060 269 I HN 0.317 nan 8.210 nan 0.000 0.418 270 L N 0.001 121.243 121.223 0.031 0.000 2.023 270 L HA -0.166 4.173 4.340 -0.001 0.000 0.205 270 L C 2.885 179.764 176.870 0.015 0.000 1.073 270 L CA 1.880 56.710 54.840 -0.017 0.000 0.745 270 L CB -1.247 40.782 42.059 -0.049 0.000 0.900 270 L HN 0.388 nan 8.230 nan 0.000 0.435 271 T N -1.967 112.607 114.554 0.033 0.000 2.737 271 T HA -0.260 4.089 4.350 -0.001 0.000 0.269 271 T C 1.928 176.683 174.700 0.092 0.000 1.040 271 T CA 1.204 63.328 62.100 0.041 0.000 1.142 271 T CB -0.433 68.454 68.868 0.031 0.000 0.861 271 T HN 0.293 nan 8.240 nan 0.000 0.456 272 R N 0.354 120.961 120.500 0.179 0.000 2.189 272 R HA 0.161 4.500 4.340 -0.001 0.000 0.218 272 R C 2.447 179.028 176.300 0.468 0.000 1.074 272 R CA 0.599 56.884 56.100 0.307 0.000 0.991 272 R CB -0.429 30.054 30.300 0.306 0.000 0.883 272 R HN 0.329 nan 8.270 nan 0.000 0.457 273 V N 0.914 120.944 119.914 0.194 0.000 2.407 273 V HA -0.101 4.018 4.120 -0.001 0.000 0.245 273 V C 2.023 178.107 176.094 -0.016 0.000 1.041 273 V CA 1.678 63.907 62.300 -0.118 0.000 1.040 273 V CB -0.277 31.372 31.823 -0.290 0.000 0.671 273 V HN 0.305 nan 8.190 nan 0.000 0.455 274 A N -1.135 121.689 122.820 0.006 0.000 2.263 274 A HA -0.106 4.214 4.320 -0.001 0.000 0.205 274 A C 1.875 179.475 177.584 0.027 0.000 1.226 274 A CA 1.033 53.069 52.037 -0.002 0.000 0.810 274 A CB -0.315 18.680 19.000 -0.009 0.000 0.784 274 A HN 0.682 nan 8.150 nan 0.000 0.486 275 Q N -1.776 118.064 119.800 0.067 0.000 2.404 275 Q HA 0.012 4.351 4.340 -0.001 0.000 0.262 275 Q C 2.003 178.053 176.000 0.082 0.000 0.846 275 Q CA 0.656 56.502 55.803 0.070 0.000 0.978 275 Q CB 0.380 29.168 28.738 0.083 0.000 1.156 275 Q HN 0.598 nan 8.270 nan 0.000 0.548 276 S N 1.761 117.534 115.700 0.122 0.000 2.407 276 S HA -0.134 4.336 4.470 -0.001 0.000 0.235 276 S C 1.194 175.842 174.600 0.081 0.000 1.036 276 S CA 1.081 59.360 58.200 0.132 0.000 1.013 276 S CB -0.674 62.620 63.200 0.157 0.000 0.820 276 S HN 0.495 nan 8.310 nan 0.000 0.476 277 I N -0.982 119.616 120.570 0.048 0.000 2.707 277 I HA 0.816 4.985 4.170 -0.001 0.000 0.309 277 I C 0.342 176.466 176.117 0.013 0.000 1.001 277 I CA -1.194 60.124 61.300 0.029 0.000 1.129 277 I CB 1.225 39.225 38.000 -0.000 0.000 1.308 277 I HN 0.059 nan 8.210 nan 0.000 0.466 278 G N 2.767 111.572 108.800 0.009 0.000 2.488 278 G HA2 0.322 4.281 3.960 -0.001 0.000 0.318 278 G HA3 0.322 4.281 3.960 -0.001 0.000 0.318 278 G C 0.035 174.932 174.900 -0.005 0.000 1.188 278 G CA -0.818 44.283 45.100 0.003 0.000 0.944 278 G HN 0.779 nan 8.290 nan 0.000 0.495 279 K N -0.225 120.172 120.400 -0.005 0.000 2.616 279 K HA 0.009 4.328 4.320 -0.001 0.000 0.192 279 K C 0.686 177.283 176.600 -0.006 0.000 1.031 279 K CA 0.734 57.015 56.287 -0.010 0.000 1.004 279 K CB 0.307 32.803 32.500 -0.006 0.000 0.810 279 K HN 0.388 nan 8.250 nan 0.000 0.497 280 D N -0.979 119.422 120.400 0.001 0.000 2.380 280 D HA 0.016 4.656 4.640 -0.001 0.000 0.212 280 D C 0.079 176.383 176.300 0.007 0.000 1.021 280 D CA 0.304 54.313 54.000 0.015 0.000 0.884 280 D CB 0.331 41.147 40.800 0.025 0.000 1.001 280 D HN -0.126 nan 8.370 nan 0.000 0.506 281 S N 1.529 117.223 115.700 -0.011 0.000 2.562 281 S HA 0.285 4.754 4.470 -0.001 0.000 0.275 281 S C 0.300 174.835 174.600 -0.108 0.000 1.281 281 S CA -0.596 57.587 58.200 -0.027 0.000 1.045 281 S CB 1.504 64.705 63.200 0.002 0.000 0.962 281 S HN -0.069 nan 8.310 nan 0.000 0.503 282 K N 1.629 121.916 120.400 -0.188 0.000 2.110 282 K HA 0.546 4.865 4.320 -0.001 0.000 0.263 282 K C -0.818 175.481 176.600 -0.500 0.000 0.975 282 K CA -0.698 55.334 56.287 -0.425 0.000 0.895 282 K CB 1.346 33.433 32.500 -0.690 0.000 1.060 282 K HN 0.336 nan 8.250 nan 0.000 0.448 283 V N 3.756 123.326 119.914 -0.572 0.000 2.409 283 V HA 0.307 4.427 4.120 -0.001 0.000 0.291 283 V C -1.273 174.503 176.094 -0.530 0.000 1.020 283 V CA -0.828 61.217 62.300 -0.425 0.000 0.848 283 V CB 0.660 32.325 31.823 -0.263 0.000 0.990 283 V HN 0.524 nan 8.190 nan 0.000 0.430 284 Y N 5.227 125.433 120.300 -0.155 0.000 2.331 284 Y HA 0.647 5.197 4.550 -0.001 0.000 0.338 284 Y C 0.195 175.844 175.900 -0.419 0.000 0.992 284 Y CA -0.774 57.187 58.100 -0.231 0.000 1.121 284 Y CB 1.507 39.893 38.460 -0.123 0.000 1.184 284 Y HN 0.416 nan 8.280 nan 0.000 0.469 285 I N 5.193 125.612 120.570 -0.251 0.000 2.411 285 I HA 0.358 4.527 4.170 -0.001 0.000 0.284 285 I C -0.701 175.221 176.117 -0.326 0.000 1.012 285 I CA -0.565 60.548 61.300 -0.312 0.000 1.119 285 I CB 1.368 39.245 38.000 -0.206 0.000 1.261 285 I HN 0.581 nan 8.210 nan 0.000 0.448 286 M N 6.432 125.746 119.600 -0.476 0.000 2.268 286 M HA 0.560 5.040 4.480 -0.001 0.000 0.344 286 M C -1.043 175.182 176.300 -0.125 0.000 1.106 286 M CA 0.059 55.156 55.300 -0.339 0.000 1.010 286 M CB 1.662 33.935 32.600 -0.545 0.000 1.649 286 M HN 0.535 nan 8.290 nan 0.000 0.443 287 E N 1.772 121.974 120.200 0.003 0.000 2.390 287 E HA 0.363 4.713 4.350 -0.001 0.000 0.280 287 E C -1.378 175.277 176.600 0.092 0.000 0.992 287 E CA -0.543 55.914 56.400 0.095 0.000 0.790 287 E CB 1.926 31.695 29.700 0.116 0.000 1.248 287 E HN 0.649 nan 8.360 nan 0.000 0.447 288 T N 1.415 116.024 114.554 0.091 0.000 2.782 288 T HA 0.505 4.854 4.350 -0.001 0.000 0.298 288 T C 0.010 174.752 174.700 0.071 0.000 0.944 288 T CA -0.564 61.537 62.100 0.002 0.000 1.001 288 T CB -0.374 68.477 68.868 -0.028 0.000 0.932 288 T HN 0.274 nan 8.240 nan 0.000 0.524 289 L N 4.860 126.096 121.223 0.021 0.000 2.264 289 L HA 0.361 4.700 4.340 -0.001 0.000 0.289 289 L C 1.651 178.502 176.870 -0.032 0.000 1.044 289 L CA -1.247 53.588 54.840 -0.009 0.000 0.807 289 L CB 0.910 42.903 42.059 -0.111 0.000 1.192 289 L HN 0.820 nan 8.230 nan 0.000 0.425 290 W N 3.103 124.398 121.300 -0.009 0.000 2.465 290 W HA -0.124 4.536 4.660 -0.001 0.000 0.268 290 W C 0.916 177.413 176.519 -0.036 0.000 1.242 290 W CA 1.087 58.431 57.345 -0.001 0.000 1.248 290 W CB -0.314 29.157 29.460 0.018 0.000 1.118 290 W HN 0.750 nan 8.180 nan 0.000 0.587 291 D N 0.676 120.499 120.400 -0.962 0.000 2.349 291 D HA -0.049 4.590 4.640 -0.001 0.000 0.215 291 D C 0.856 176.870 176.300 -0.476 0.000 1.016 291 D CA 0.109 53.451 54.000 -1.097 0.000 0.870 291 D CB -0.537 39.141 40.800 -1.870 0.000 0.917 291 D HN 0.235 nan 8.370 nan 0.000 0.524 292 R N 0.623 120.939 120.500 -0.307 0.000 2.989 292 R HA 0.212 4.551 4.340 -0.001 0.000 0.340 292 R C -0.267 175.973 176.300 -0.099 0.000 1.205 292 R CA -0.425 55.566 56.100 -0.181 0.000 1.235 292 R CB 0.733 30.925 30.300 -0.180 0.000 1.394 292 R HN 0.035 nan 8.270 nan 0.000 0.598 293 Q N 0.583 120.352 119.800 -0.053 0.000 2.235 293 Q HA 0.258 4.597 4.340 -0.001 0.000 0.256 293 Q C 0.763 176.716 176.000 -0.078 0.000 0.951 293 Q CA -0.338 55.452 55.803 -0.023 0.000 0.890 293 Q CB 2.237 31.018 28.738 0.071 0.000 1.279 293 Q HN 0.178 nan 8.270 nan 0.000 0.444 294 R N 1.190 121.592 120.500 -0.165 0.000 2.070 294 R HA -0.090 4.250 4.340 -0.001 0.000 0.232 294 R C -0.071 175.989 176.300 -0.401 0.000 1.138 294 R CA 1.467 57.334 56.100 -0.388 0.000 0.936 294 R CB 0.174 30.068 30.300 -0.676 0.000 0.839 294 R HN 0.495 nan 8.270 nan 0.000 0.429 295 Y N 0.251 120.578 120.300 0.044 0.000 2.330 295 Y HA 0.098 4.647 4.550 -0.001 0.000 0.336 295 Y C 1.135 177.087 175.900 0.087 0.000 1.036 295 Y CA -0.769 57.364 58.100 0.054 0.000 1.125 295 Y CB 1.584 40.076 38.460 0.054 0.000 1.194 295 Y HN 0.040 nan 8.280 nan 0.000 0.469 296 E N 1.364 121.708 120.200 0.240 0.000 2.085 296 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 296 E C 1.484 178.224 176.600 0.233 0.000 0.994 296 E CA 1.962 58.490 56.400 0.214 0.000 0.801 296 E CB 0.064 29.868 29.700 0.173 0.000 0.743 296 E HN 0.903 nan 8.360 nan 0.000 0.453 297 T N 0.865 115.538 114.554 0.200 0.000 2.720 297 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 297 T C 1.846 176.712 174.700 0.278 0.000 1.037 297 T CA 1.700 63.909 62.100 0.182 0.000 1.144 297 T CB -0.350 68.565 68.868 0.079 0.000 0.864 297 T HN 0.346 nan 8.240 nan 0.000 0.444 298 A N 1.519 124.504 122.820 0.276 0.000 1.917 298 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 298 A C 2.591 180.346 177.584 0.285 0.000 1.182 298 A CA 2.241 54.446 52.037 0.280 0.000 0.633 298 A CB -0.923 18.231 19.000 0.256 0.000 0.819 298 A HN 0.502 nan 8.150 nan 0.000 0.448 299 S N -1.569 114.307 115.700 0.292 0.000 2.368 299 S HA -0.187 4.283 4.470 -0.001 0.000 0.225 299 S C 1.835 176.613 174.600 0.297 0.000 1.030 299 S CA 1.447 59.854 58.200 0.345 0.000 0.999 299 S CB -0.681 62.749 63.200 0.385 0.000 0.844 299 S HN 0.707 nan 8.310 nan 0.000 0.459 300 Y N 1.876 122.267 120.300 0.152 0.000 2.097 300 Y HA -0.295 4.254 4.550 -0.001 0.000 0.282 300 Y C 2.607 178.555 175.900 0.080 0.000 1.152 300 Y CA 1.276 59.427 58.100 0.086 0.000 1.136 300 Y CB -0.968 37.539 38.460 0.078 0.000 0.975 300 Y HN 0.262 nan 8.280 nan 0.000 0.498 301 C N 0.566 119.994 119.300 0.213 0.000 2.413 301 C HA -0.230 4.230 4.460 -0.001 0.000 0.277 301 C C 2.797 177.814 174.990 0.046 0.000 1.228 301 C CA 1.469 60.564 59.018 0.129 0.000 1.731 301 C CB -1.595 26.329 27.740 0.307 0.000 2.042 301 C HN 0.650 nan 8.230 nan 0.000 0.468 302 L N 1.081 122.381 121.223 0.130 0.000 2.081 302 L HA -0.182 4.157 4.340 -0.001 0.000 0.212 302 L C 2.814 179.687 176.870 0.006 0.000 1.080 302 L CA 2.229 57.136 54.840 0.111 0.000 0.754 302 L CB -1.108 41.083 42.059 0.221 0.000 0.893 302 L HN 0.604 nan 8.230 nan 0.000 0.433 303 T N -4.123 110.360 114.554 -0.118 0.000 2.985 303 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 303 T C 1.821 176.366 174.700 -0.258 0.000 1.076 303 T CA 0.430 62.350 62.100 -0.300 0.000 1.135 303 T CB -0.057 68.475 68.868 -0.559 0.000 0.890 303 T HN 0.230 nan 8.240 nan 0.000 0.480 304 Q N 0.815 120.444 119.800 -0.285 0.000 2.123 304 Q HA 0.104 4.443 4.340 -0.001 0.000 0.199 304 Q C 2.459 178.386 176.000 -0.121 0.000 0.966 304 Q CA 0.689 56.339 55.803 -0.256 0.000 0.845 304 Q CB -0.437 28.082 28.738 -0.365 0.000 0.907 304 Q HN 0.463 nan 8.270 nan 0.000 0.439 305 I N 1.193 121.726 120.570 -0.061 0.000 2.208 305 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 305 I C 2.068 178.255 176.117 0.116 0.000 1.097 305 I CA 1.099 62.404 61.300 0.009 0.000 1.363 305 I CB -1.225 36.767 38.000 -0.013 0.000 1.051 305 I HN 0.086 nan 8.210 nan 0.000 0.413 306 S N 0.869 116.643 115.700 0.124 0.000 2.444 306 S HA -0.193 4.276 4.470 -0.001 0.000 0.244 306 S C 1.921 176.618 174.600 0.162 0.000 1.025 306 S CA 1.202 59.532 58.200 0.216 0.000 0.995 306 S CB -0.371 62.848 63.200 0.032 0.000 0.781 306 S HN 0.337 nan 8.310 nan 0.000 0.496 307 L N -0.030 121.215 121.223 0.037 0.000 2.313 307 L HA 0.020 4.359 4.340 -0.001 0.000 0.214 307 L C 2.039 178.885 176.870 -0.040 0.000 1.119 307 L CA 0.827 55.652 54.840 -0.024 0.000 0.809 307 L CB -0.602 41.407 42.059 -0.085 0.000 0.933 307 L HN 0.486 nan 8.230 nan 0.000 0.449 308 Y N -0.954 119.243 120.300 -0.172 0.000 2.293 308 Y HA -0.208 4.341 4.550 -0.001 0.000 0.291 308 Y C 1.962 177.735 175.900 -0.211 0.000 1.137 308 Y CA 1.167 59.099 58.100 -0.279 0.000 1.202 308 Y CB -0.545 37.655 38.460 -0.433 0.000 0.990 308 Y HN 0.017 nan 8.280 nan 0.000 0.537 309 F N 0.883 120.461 119.950 -0.620 0.000 2.234 309 F HA -0.121 4.405 4.527 -0.001 0.000 0.299 309 F C 2.408 178.010 175.800 -0.330 0.000 1.087 309 F CA 1.856 59.498 58.000 -0.597 0.000 1.340 309 F CB -0.885 37.941 39.000 -0.290 0.000 1.031 309 F HN 0.056 nan 8.300 nan 0.000 0.500 310 T N -0.558 113.972 114.554 -0.039 0.000 2.770 310 T HA -0.060 4.289 4.350 -0.001 0.000 0.263 310 T C 2.279 176.931 174.700 -0.080 0.000 1.039 310 T CA 1.278 63.349 62.100 -0.048 0.000 1.142 310 T CB -0.525 68.315 68.868 -0.046 0.000 0.868 310 T HN 0.254 nan 8.240 nan 0.000 0.435 311 A N 1.206 123.959 122.820 -0.110 0.000 1.935 311 A HA 0.257 4.576 4.320 -0.001 0.000 0.214 311 A C 1.041 178.569 177.584 -0.093 0.000 1.178 311 A CA 0.658 52.639 52.037 -0.093 0.000 0.640 311 A CB -0.011 18.932 19.000 -0.096 0.000 0.825 311 A HN 0.377 nan 8.150 nan 0.000 0.447 312 M N -1.992 117.512 119.600 -0.160 0.000 2.022 312 M HA 0.566 5.045 4.480 -0.001 0.000 0.298 312 M C 0.103 176.249 176.300 -0.256 0.000 0.909 312 M CA 0.436 55.654 55.300 -0.136 0.000 0.914 312 M CB 0.800 33.371 32.600 -0.047 0.000 1.486 312 M HN 0.901 nan 8.290 nan 0.000 0.415 313 A N 1.756 124.490 122.820 -0.144 0.000 3.686 313 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 313 A C 0.911 178.495 177.584 -0.000 0.000 1.167 313 A CA 0.945 52.906 52.037 -0.128 0.000 1.575 313 A CB -1.689 17.119 19.000 -0.321 0.000 0.948 313 A HN 0.748 nan 8.150 nan 0.000 0.820 314 N N 1.030 119.719 118.700 -0.020 0.000 2.058 314 N HA 0.229 4.968 4.740 -0.001 0.000 0.205 314 N C 1.416 176.944 175.510 0.030 0.000 1.185 314 N CA 2.836 55.889 53.050 0.005 0.000 0.945 314 N CB -0.977 37.502 38.487 -0.014 0.000 0.958 314 N HN 1.966 nan 8.380 nan 0.000 0.388 315 G N 0.184 108.997 108.800 0.022 0.000 2.421 315 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.300 315 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.300 315 G C -0.111 174.808 174.900 0.032 0.000 0.974 315 G CA 1.369 46.490 45.100 0.034 0.000 1.062 315 G HN 1.118 nan 8.290 nan 0.000 0.514 316 N N -3.193 115.507 118.700 0.000 0.000 3.340 316 N HA 0.564 5.304 4.740 -0.001 0.000 0.361 316 N C -0.755 174.712 175.510 -0.073 0.000 1.362 316 N CA -0.398 52.628 53.050 -0.041 0.000 0.857 316 N CB 0.793 39.230 38.487 -0.084 0.000 2.069 316 N HN 1.009 nan 8.380 nan 0.000 0.421 317 S N -0.538 115.066 115.700 -0.161 0.000 2.683 317 S HA 0.469 4.938 4.470 -0.001 0.000 0.278 317 S C -2.412 171.898 174.600 -0.483 0.000 1.059 317 S CA -0.596 57.379 58.200 -0.375 0.000 0.847 317 S CB 1.159 64.079 63.200 -0.466 0.000 1.078 317 S HN 0.942 nan 8.310 nan 0.000 0.456 318 K N 1.424 121.370 120.400 -0.757 0.000 2.772 318 K HA 0.355 4.674 4.320 -0.001 0.000 0.292 318 K C -1.420 174.841 176.600 -0.564 0.000 1.049 318 K CA -1.092 54.898 56.287 -0.495 0.000 0.846 318 K CB 0.273 32.637 32.500 -0.226 0.000 1.514 318 K HN 0.480 nan 8.250 nan 0.000 0.373 319 M N 1.968 121.468 119.600 -0.166 0.000 2.307 319 M HA 0.222 4.702 4.480 -0.001 0.000 0.346 319 M C -0.578 175.767 176.300 0.076 0.000 1.552 319 M CA 0.054 55.334 55.300 -0.032 0.000 1.116 319 M CB -1.161 31.533 32.600 0.157 0.000 1.889 319 M HN 0.462 nan 8.290 nan 0.000 0.460 320 F N 1.915 121.947 119.950 0.138 0.000 2.553 320 F HA 0.015 4.542 4.527 -0.001 0.000 0.356 320 F C 1.141 177.068 175.800 0.212 0.000 1.142 320 F CA 0.234 58.324 58.000 0.149 0.000 1.322 320 F CB 0.034 39.066 39.000 0.053 0.000 1.126 320 F HN 0.483 nan 8.300 nan 0.000 0.599 321 H N 0.879 120.174 119.070 0.375 0.000 2.562 321 H HA 0.186 4.742 4.556 -0.001 0.000 0.314 321 H C 1.205 176.525 175.328 -0.013 0.000 1.079 321 H CA -0.020 56.045 56.048 0.029 0.000 1.349 321 H CB 1.096 30.951 29.762 0.154 0.000 1.432 321 H HN 0.686 nan 8.280 nan 0.000 0.479 322 S N 2.574 118.206 115.700 -0.114 0.000 2.389 322 S HA -0.298 4.171 4.470 -0.001 0.000 0.231 322 S C 1.456 176.104 174.600 0.080 0.000 1.052 322 S CA 1.821 59.998 58.200 -0.038 0.000 1.053 322 S CB -0.141 62.966 63.200 -0.154 0.000 0.886 322 S HN 0.763 nan 8.310 nan 0.000 0.456 323 D N 1.975 122.558 120.400 0.305 0.000 2.117 323 D HA -0.068 4.571 4.640 -0.001 0.000 0.197 323 D C 1.702 178.008 176.300 0.010 0.000 0.987 323 D CA 1.422 55.473 54.000 0.085 0.000 0.829 323 D CB -0.530 40.248 40.800 -0.037 0.000 0.961 323 D HN 0.481 nan 8.370 nan 0.000 0.460 324 D N 0.209 120.640 120.400 0.053 0.000 2.097 324 D HA -0.111 4.528 4.640 -0.001 0.000 0.197 324 D C 2.231 178.481 176.300 -0.082 0.000 0.984 324 D CA 0.307 54.328 54.000 0.037 0.000 0.826 324 D CB -0.399 40.507 40.800 0.175 0.000 0.973 324 D HN 0.137 nan 8.370 nan 0.000 0.460 325 L N 1.127 122.222 121.223 -0.214 0.000 2.046 325 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 325 L C 2.146 178.839 176.870 -0.294 0.000 1.077 325 L CA 1.322 55.842 54.840 -0.533 0.000 0.747 325 L CB -0.493 41.139 42.059 -0.712 0.000 0.896 325 L HN -0.021 nan 8.230 nan 0.000 0.432 326 I N -0.780 119.685 120.570 -0.175 0.000 2.315 326 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 326 I C 2.719 178.774 176.117 -0.104 0.000 1.117 326 I CA 1.230 62.454 61.300 -0.126 0.000 1.404 326 I CB -0.357 37.593 38.000 -0.083 0.000 1.071 326 I HN 0.348 nan 8.210 nan 0.000 0.419 327 R N 0.503 120.951 120.500 -0.087 0.000 2.066 327 R HA -0.184 4.156 4.340 -0.001 0.000 0.232 327 R C 2.477 178.733 176.300 -0.073 0.000 1.131 327 R CA 2.032 58.093 56.100 -0.065 0.000 0.955 327 R CB -0.439 29.835 30.300 -0.044 0.000 0.851 327 R HN 0.346 nan 8.270 nan 0.000 0.432 328 C N 0.505 119.747 119.300 -0.097 0.000 2.413 328 C HA -0.077 4.382 4.460 -0.001 0.000 0.277 328 C C 2.520 177.450 174.990 -0.100 0.000 1.265 328 C CA 0.306 59.268 59.018 -0.093 0.000 1.752 328 C CB -0.866 26.799 27.740 -0.124 0.000 1.998 328 C HN 0.498 nan 8.230 nan 0.000 0.489 329 I N 0.914 121.406 120.570 -0.130 0.000 2.142 329 I HA -0.171 3.999 4.170 -0.001 0.000 0.240 329 I C 2.395 178.460 176.117 -0.087 0.000 1.078 329 I CA 1.672 62.901 61.300 -0.119 0.000 1.343 329 I CB -0.592 37.326 38.000 -0.136 0.000 1.046 329 I HN 0.351 nan 8.210 nan 0.000 0.405 330 E N 0.166 120.319 120.200 -0.077 0.000 2.338 330 E HA -0.135 4.214 4.350 -0.001 0.000 0.197 330 E C 1.496 178.068 176.600 -0.047 0.000 1.007 330 E CA 0.695 57.059 56.400 -0.060 0.000 0.849 330 E CB -0.228 29.440 29.700 -0.054 0.000 0.774 330 E HN 0.595 nan 8.360 nan 0.000 0.506 331 N N 0.053 118.726 118.700 -0.045 0.000 2.412 331 N HA 0.022 4.762 4.740 -0.001 0.000 0.184 331 N C 1.267 176.760 175.510 -0.028 0.000 1.101 331 N CA 0.266 53.297 53.050 -0.032 0.000 0.881 331 N CB 0.400 38.871 38.487 -0.027 0.000 0.969 331 N HN 0.029 nan 8.380 nan 0.000 0.459 332 A N 0.606 123.404 122.820 -0.037 0.000 2.251 332 A HA 0.358 4.677 4.320 -0.001 0.000 0.209 332 A C 1.527 179.094 177.584 -0.029 0.000 1.187 332 A CA 0.660 52.679 52.037 -0.030 0.000 0.823 332 A CB -0.064 18.912 19.000 -0.040 0.000 0.846 332 A HN 0.286 nan 8.150 nan 0.000 0.486 333 G N -1.541 107.238 108.800 -0.034 0.000 2.131 333 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.223 333 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.223 333 G C -0.105 174.769 174.900 -0.043 0.000 0.990 333 G CA 0.261 45.342 45.100 -0.032 0.000 0.671 333 G HN 0.422 nan 8.290 nan 0.000 0.521 334 L N 0.259 121.448 121.223 -0.057 0.000 2.322 334 L HA 0.819 5.158 4.340 -0.001 0.000 0.269 334 L C 0.273 177.098 176.870 -0.075 0.000 1.012 334 L CA -1.030 53.766 54.840 -0.073 0.000 0.815 334 L CB 1.765 43.767 42.059 -0.095 0.000 1.295 334 L HN 0.377 nan 8.230 nan 0.000 0.438 335 E N 0.814 120.966 120.200 -0.081 0.000 2.256 335 E HA 0.448 4.798 4.350 -0.001 0.000 0.268 335 E C -0.944 175.602 176.600 -0.089 0.000 0.877 335 E CA -1.002 55.353 56.400 -0.075 0.000 0.757 335 E CB 2.260 31.925 29.700 -0.058 0.000 1.183 335 E HN 0.380 nan 8.360 nan 0.000 0.418 336 V N 1.411 121.273 119.914 -0.086 0.000 2.458 336 V HA 0.104 4.223 4.120 -0.001 0.000 0.287 336 V C 0.300 176.353 176.094 -0.069 0.000 1.009 336 V CA 0.100 62.347 62.300 -0.089 0.000 1.091 336 V CB 0.399 32.174 31.823 -0.080 0.000 0.960 336 V HN 0.888 nan 8.190 nan 0.000 0.476 337 E N 3.487 123.643 120.200 -0.072 0.000 2.394 337 E HA 0.270 4.619 4.350 -0.001 0.000 0.191 337 E C 0.199 176.784 176.600 -0.025 0.000 1.044 337 E CA 0.343 56.716 56.400 -0.046 0.000 0.939 337 E CB 0.138 29.810 29.700 -0.047 0.000 1.089 337 E HN 1.009 nan 8.360 nan 0.000 0.456 338 E N 0.008 120.189 120.200 -0.030 0.000 4.548 338 E HA -0.058 4.291 4.350 -0.001 0.000 0.394 338 E C -1.256 175.333 176.600 -0.018 0.000 1.144 338 E CA -0.220 56.171 56.400 -0.014 0.000 1.628 338 E CB -0.509 29.198 29.700 0.011 0.000 0.985 338 E HN 0.125 nan 8.360 nan 0.000 0.501 339 I N 2.859 123.416 120.570 -0.021 0.000 3.736 339 I HA 0.112 4.281 4.170 -0.001 0.000 0.338 339 I C 0.775 176.881 176.117 -0.017 0.000 1.558 339 I CA -0.582 60.701 61.300 -0.028 0.000 1.147 339 I CB 0.523 38.495 38.000 -0.046 0.000 1.275 339 I HN 0.474 nan 8.210 nan 0.000 0.454 340 Q N 3.507 123.308 119.800 0.002 0.000 2.943 340 Q HA -0.181 4.158 4.340 -0.001 0.000 0.398 340 Q C -0.523 175.477 176.000 -0.001 0.000 1.173 340 Q CA 1.556 57.365 55.803 0.010 0.000 1.154 340 Q CB 0.416 29.175 28.738 0.035 0.000 1.158 340 Q HN 0.728 nan 8.270 nan 0.000 0.479 341 D N 1.002 121.398 120.400 -0.007 0.000 2.851 341 D HA 0.221 4.860 4.640 -0.001 0.000 0.339 341 D C -0.303 175.989 176.300 -0.014 0.000 1.347 341 D CA -0.208 53.785 54.000 -0.013 0.000 0.888 341 D CB -0.083 40.697 40.800 -0.033 0.000 1.431 341 D HN 0.478 nan 8.370 nan 0.000 0.509 342 N N -1.443 117.246 118.700 -0.018 0.000 2.901 342 N HA -0.170 4.569 4.740 -0.001 0.000 0.248 342 N C -0.425 175.085 175.510 -0.001 0.000 1.044 342 N CA 0.857 53.892 53.050 -0.024 0.000 0.847 342 N CB -1.654 36.808 38.487 -0.042 0.000 1.127 342 N HN 0.694 nan 8.380 nan 0.000 0.562 343 I N -0.612 119.971 120.570 0.022 0.000 3.138 343 I HA 0.474 4.644 4.170 -0.001 0.000 0.288 343 I C 1.714 177.861 176.117 0.050 0.000 1.148 343 I CA 0.544 61.858 61.300 0.024 0.000 1.315 343 I CB 0.454 38.464 38.000 0.016 0.000 1.426 343 I HN 0.323 nan 8.210 nan 0.000 0.615 344 G N 4.129 112.927 108.800 -0.004 0.000 2.505 344 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.542 344 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.542 344 G C 0.344 175.294 174.900 0.083 0.000 1.383 344 G CA 0.586 45.686 45.100 0.000 0.000 0.915 344 G HN 1.233 nan 8.290 nan 0.000 0.515 345 L N 1.648 122.932 121.223 0.103 0.000 4.052 345 L HA 0.427 4.766 4.340 -0.001 0.000 0.269 345 L C 1.455 178.289 176.870 -0.060 0.000 1.360 345 L CA 1.458 56.302 54.840 0.007 0.000 1.006 345 L CB -1.099 40.881 42.059 -0.131 0.000 1.461 345 L HN 2.228 nan 8.230 nan 0.000 0.407 346 G N 0.554 109.345 108.800 -0.015 0.000 2.546 346 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.285 346 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.285 346 G C -0.347 174.410 174.900 -0.240 0.000 1.105 346 G CA -0.175 44.875 45.100 -0.082 0.000 1.189 346 G HN 0.639 nan 8.290 nan 0.000 0.534 347 H N 0.401 119.445 119.070 -0.043 0.000 2.539 347 H HA 0.494 5.049 4.556 -0.001 0.000 0.332 347 H C 0.039 175.335 175.328 -0.053 0.000 1.031 347 H CA -0.243 55.777 56.048 -0.047 0.000 1.206 347 H CB 1.819 31.532 29.762 -0.081 0.000 1.446 347 H HN 0.293 nan 8.280 nan 0.000 0.496 348 S N 3.310 119.027 115.700 0.028 0.000 2.585 348 S HA 0.373 4.842 4.470 -0.001 0.000 0.277 348 S C 0.346 174.932 174.600 -0.023 0.000 1.241 348 S CA -0.676 57.519 58.200 -0.009 0.000 1.041 348 S CB 1.377 64.552 63.200 -0.043 0.000 0.987 348 S HN 0.494 nan 8.310 nan 0.000 0.512 349 I N 2.438 122.990 120.570 -0.029 0.000 2.509 349 I HA 0.433 4.602 4.170 -0.001 0.000 0.293 349 I C -1.919 174.176 176.117 -0.038 0.000 1.020 349 I CA -1.214 60.054 61.300 -0.053 0.000 1.088 349 I CB 1.199 39.185 38.000 -0.022 0.000 1.267 349 I HN 0.402 nan 8.210 nan 0.000 0.430 350 L N 6.991 128.173 121.223 -0.068 0.000 2.295 350 L HA 0.375 4.715 4.340 -0.001 0.000 0.281 350 L C -0.030 176.794 176.870 -0.077 0.000 1.018 350 L CA -0.079 54.716 54.840 -0.074 0.000 0.841 350 L CB 1.246 43.236 42.059 -0.116 0.000 1.218 350 L HN 0.541 nan 8.230 nan 0.000 0.424 351 Q N 2.774 122.547 119.800 -0.044 0.000 2.307 351 Q HA 0.326 4.665 4.340 -0.001 0.000 0.261 351 Q C -0.883 174.989 176.000 -0.214 0.000 1.051 351 Q CA -0.120 55.592 55.803 -0.151 0.000 0.911 351 Q CB 0.540 29.252 28.738 -0.043 0.000 1.227 351 Q HN 0.725 nan 8.270 nan 0.000 0.418 352 C N 3.645 122.760 119.300 -0.309 0.000 2.505 352 C HA 0.843 5.302 4.460 -0.001 0.000 0.358 352 C C -0.214 174.623 174.990 -0.255 0.000 1.226 352 C CA -0.781 58.097 59.018 -0.233 0.000 1.900 352 C CB 1.439 29.057 27.740 -0.204 0.000 2.306 352 C HN 1.086 nan 8.230 nan 0.000 0.512 353 R N 0.132 120.528 120.500 -0.173 0.000 2.831 353 R HA 0.831 5.171 4.340 -0.001 0.000 0.266 353 R C -1.264 174.973 176.300 -0.105 0.000 1.051 353 R CA -0.736 55.276 56.100 -0.147 0.000 0.943 353 R CB 0.368 30.601 30.300 -0.112 0.000 1.228 353 R HN 0.419 nan 8.270 nan 0.000 0.467 354 L N 0.944 122.118 121.223 -0.081 0.000 2.475 354 L HA 0.388 4.727 4.340 -0.001 0.000 0.250 354 L C -0.151 176.691 176.870 -0.046 0.000 1.224 354 L CA 0.849 55.654 54.840 -0.058 0.000 0.821 354 L CB 0.227 42.261 42.059 -0.042 0.000 1.141 354 L HN 0.922 nan 8.230 nan 0.000 0.494 355 K N 0.000 120.378 120.400 -0.036 0.000 2.780 355 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 355 K CA 0.000 56.270 56.287 -0.029 0.000 0.838 355 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543