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 1vcu_1_B DATA FIRST_RESID 1 DATA SEQUENCE MASLPVLQKE SVFQSGAHAY RIPALLYLPG QQSLLAFAEQ RASKKDEHAE DATA SEQUENCE LIVLRRGDYD APTHQVQWQA QEVVAQARLD GHRSMNPCPL YDAQTGTLFL DATA SEQUENCE FFIAIPGQVT EQQQLQTRAN VTRLCQVTST DHGRTWSSPR DLTDAAIGPA DATA SEQUENCE YREWSTFAVG PGHCLQLNDR ARSLVVPAYA YRKLHPIQRP IPSAFCFLSH DATA SEQUENCE DHGRTWARGH FVAQDTLECQ VAEVETGEQR VVTLNARSHL RARVQAQSTN DATA SEQUENCE DGLDFQESQL VKKLVEPPPQ GCQGSVISFP SPRXXXXSPA QWLLYTHPTH DATA SEQUENCE SWQRADLGAY LNPRPPAPEA WSEPVLLAKG SCAYSDLQSM GTGPDGSPLF DATA SEQUENCE GCLYEANDYE EIVFLMFTLK QAFPAEY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.039 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.026 0.000 1.302 2 A N 1.270 124.065 122.820 -0.042 0.000 2.280 2 A HA 0.784 5.103 4.320 -0.001 0.000 0.268 2 A C 0.432 177.979 177.584 -0.063 0.000 1.111 2 A CA 0.230 52.241 52.037 -0.043 0.000 0.814 2 A CB 0.780 19.758 19.000 -0.037 0.000 1.093 2 A HN 0.585 nan 8.150 nan 0.000 0.498 3 S N -1.397 114.263 115.700 -0.066 0.000 2.626 3 S HA 0.344 4.813 4.470 -0.001 0.000 0.257 3 S C 0.083 174.614 174.600 -0.114 0.000 1.288 3 S CA -0.406 57.737 58.200 -0.095 0.000 0.980 3 S CB 0.105 63.255 63.200 -0.083 0.000 0.975 3 S HN 1.023 nan 8.310 nan 0.000 0.577 4 L N 3.281 124.407 121.223 -0.163 0.000 2.360 4 L HA 0.442 4.782 4.340 -0.001 0.000 0.276 4 L C -2.104 174.684 176.870 -0.137 0.000 1.121 4 L CA -1.420 53.309 54.840 -0.184 0.000 0.845 4 L CB 0.493 42.372 42.059 -0.299 0.000 1.143 4 L HN 0.443 nan 8.230 nan 0.000 0.452 5 P HA 0.120 nan 4.420 nan 0.000 0.275 5 P C -0.308 176.968 177.300 -0.040 0.000 1.276 5 P CA -0.180 62.888 63.100 -0.053 0.000 0.782 5 P CB 0.768 32.445 31.700 -0.039 0.000 0.851 6 V N 2.410 122.318 119.914 -0.010 0.000 4.251 6 V HA 0.348 4.467 4.120 -0.001 0.000 0.277 6 V C 1.503 177.652 176.094 0.091 0.000 1.292 6 V CA -0.422 61.910 62.300 0.054 0.000 0.841 6 V CB -0.288 31.581 31.823 0.077 0.000 1.273 6 V HN 0.266 nan 8.190 nan 0.000 0.441 7 L N -1.068 120.234 121.223 0.132 0.000 2.500 7 L HA 0.425 4.764 4.340 -0.001 0.000 0.219 7 L C 0.966 177.919 176.870 0.138 0.000 1.057 7 L CA 0.649 55.582 54.840 0.154 0.000 0.854 7 L CB 0.513 42.682 42.059 0.182 0.000 1.078 7 L HN 0.802 nan 8.230 nan 0.000 0.480 8 Q N 0.055 119.905 119.800 0.083 0.000 2.386 8 Q HA 0.286 4.625 4.340 -0.001 0.000 0.274 8 Q C -1.480 174.526 176.000 0.009 0.000 1.011 8 Q CA -0.576 55.264 55.803 0.062 0.000 0.867 8 Q CB 2.555 31.354 28.738 0.102 0.000 1.409 8 Q HN -0.120 nan 8.270 nan 0.000 0.395 9 K N 2.740 123.169 120.400 0.049 0.000 2.690 9 K HA 0.345 4.665 4.320 -0.001 0.000 0.243 9 K C -1.853 174.790 176.600 0.070 0.000 0.982 9 K CA -0.209 56.105 56.287 0.046 0.000 0.955 9 K CB 1.302 33.834 32.500 0.054 0.000 1.185 9 K HN 0.636 nan 8.250 nan 0.000 0.467 10 E N 2.305 122.565 120.200 0.099 0.000 2.308 10 E HA 0.296 4.646 4.350 -0.001 0.000 0.275 10 E C -1.388 175.207 176.600 -0.009 0.000 0.890 10 E CA -0.752 55.696 56.400 0.080 0.000 0.754 10 E CB 1.843 31.647 29.700 0.172 0.000 1.207 10 E HN 0.340 nan 8.360 nan 0.000 0.426 11 S N 2.729 118.390 115.700 -0.066 0.000 2.430 11 S HA 0.104 4.574 4.470 -0.001 0.000 0.282 11 S C 0.927 175.380 174.600 -0.246 0.000 1.186 11 S CA -0.265 57.855 58.200 -0.133 0.000 1.060 11 S CB 0.873 64.019 63.200 -0.090 0.000 0.966 11 S HN 0.541 nan 8.310 nan 0.000 0.501 12 V N 0.510 120.172 119.914 -0.420 0.000 3.590 12 V HA 0.490 4.610 4.120 -0.001 0.000 0.265 12 V C -0.255 175.252 176.094 -0.980 0.000 1.239 12 V CA 0.372 62.184 62.300 -0.815 0.000 1.117 12 V CB -0.699 30.303 31.823 -1.368 0.000 0.818 12 V HN 0.551 nan 8.190 nan 0.000 0.451 13 F N 0.227 119.982 119.950 -0.324 0.000 2.591 13 F HA 0.804 5.330 4.527 -0.001 0.000 0.309 13 F C -0.268 175.377 175.800 -0.258 0.000 1.098 13 F CA -0.813 56.951 58.000 -0.393 0.000 0.937 13 F CB 2.248 41.021 39.000 -0.379 0.000 1.250 13 F HN -0.035 nan 8.300 nan 0.000 0.447 14 Q N 0.762 120.522 119.800 -0.067 0.000 2.340 14 Q HA 0.457 4.796 4.340 -0.001 0.000 0.276 14 Q C -1.067 175.037 176.000 0.173 0.000 1.048 14 Q CA -1.024 54.805 55.803 0.044 0.000 0.832 14 Q CB 2.757 31.499 28.738 0.007 0.000 1.373 14 Q HN 0.608 nan 8.270 nan 0.000 0.409 15 S N 0.199 116.026 115.700 0.212 0.000 2.566 15 S HA 0.481 4.950 4.470 -0.001 0.000 0.280 15 S C 0.272 174.986 174.600 0.190 0.000 1.343 15 S CA 0.682 59.027 58.200 0.242 0.000 1.036 15 S CB 0.640 63.929 63.200 0.147 0.000 0.866 15 S HN 0.803 nan 8.310 nan 0.000 0.526 16 G N 0.500 109.416 108.800 0.194 0.000 3.074 16 G HA2 0.442 4.402 3.960 -0.001 0.000 0.127 16 G HA3 0.442 4.402 3.960 -0.001 0.000 0.127 16 G C 0.482 175.420 174.900 0.065 0.000 1.216 16 G CA 0.104 45.281 45.100 0.127 0.000 1.390 16 G HN 0.756 nan 8.290 nan 0.000 0.676 17 A N -0.358 122.488 122.820 0.043 0.000 2.206 17 A HA 0.403 4.723 4.320 -0.001 0.000 0.211 17 A C 0.892 178.228 177.584 -0.413 0.000 1.158 17 A CA 1.043 52.984 52.037 -0.158 0.000 0.761 17 A CB -0.479 18.426 19.000 -0.158 0.000 0.801 17 A HN 0.510 nan 8.150 nan 0.000 0.473 18 H N -2.620 116.475 119.070 0.041 0.000 2.960 18 H HA 0.656 5.212 4.556 -0.001 0.000 0.338 18 H C -0.763 174.484 175.328 -0.135 0.000 1.261 18 H CA -0.225 55.752 56.048 -0.119 0.000 1.136 18 H CB 1.711 31.300 29.762 -0.287 0.000 1.875 18 H HN 0.183 nan 8.280 nan 0.000 0.550 19 A N 1.056 123.760 122.820 -0.193 0.000 2.365 19 A HA 0.658 4.977 4.320 -0.001 0.000 0.318 19 A C -1.751 175.568 177.584 -0.442 0.000 1.091 19 A CA -0.543 51.421 52.037 -0.121 0.000 0.763 19 A CB 0.920 19.896 19.000 -0.038 0.000 1.248 19 A HN 0.520 nan 8.150 nan 0.000 0.442 20 Y N 0.892 121.183 120.300 -0.016 0.000 2.376 20 Y HA 0.742 5.291 4.550 -0.001 0.000 0.340 20 Y C 0.636 176.478 175.900 -0.097 0.000 0.965 20 Y CA -0.451 57.576 58.100 -0.121 0.000 1.078 20 Y CB 2.088 40.416 38.460 -0.219 0.000 1.193 20 Y HN 0.774 nan 8.280 nan 0.000 0.452 21 R N 1.817 122.287 120.500 -0.049 0.000 2.766 21 R HA 0.537 4.876 4.340 -0.001 0.000 0.270 21 R C -1.472 174.773 176.300 -0.092 0.000 1.035 21 R CA -1.183 54.881 56.100 -0.060 0.000 0.911 21 R CB 1.908 32.110 30.300 -0.165 0.000 1.243 21 R HN 0.609 nan 8.270 nan 0.000 0.460 22 I N 0.034 120.548 120.570 -0.093 0.000 6.963 22 I HA -0.135 4.034 4.170 -0.001 0.000 0.126 22 I C -2.316 173.866 176.117 0.108 0.000 1.830 22 I CA -0.161 61.139 61.300 0.001 0.000 2.046 22 I CB -2.211 35.762 38.000 -0.044 0.000 3.568 22 I HN 0.520 nan 8.210 nan 0.000 0.172 23 P HA 0.504 nan 4.420 nan 0.000 0.274 23 P C -0.374 177.101 177.300 0.291 0.000 1.231 23 P CA -0.107 63.119 63.100 0.209 0.000 0.790 23 P CB 2.133 33.974 31.700 0.234 0.000 0.951 24 A N 2.635 125.664 122.820 0.348 0.000 2.422 24 A HA 0.644 4.963 4.320 -0.001 0.000 0.302 24 A C -1.626 176.248 177.584 0.484 0.000 1.041 24 A CA -0.636 51.638 52.037 0.395 0.000 0.708 24 A CB 1.201 20.402 19.000 0.335 0.000 1.257 24 A HN 0.504 nan 8.150 nan 0.000 0.414 25 L N 2.036 123.524 121.223 0.442 0.000 2.365 25 L HA 0.876 5.215 4.340 -0.001 0.000 0.273 25 L C -1.598 175.515 176.870 0.405 0.000 1.000 25 L CA -0.661 54.434 54.840 0.424 0.000 0.819 25 L CB 1.769 44.048 42.059 0.367 0.000 1.284 25 L HN 0.698 nan 8.230 nan 0.000 0.418 26 L N 4.866 126.348 121.223 0.432 0.000 2.438 26 L HA 0.466 4.805 4.340 -0.001 0.000 0.270 26 L C -1.836 175.234 176.870 0.334 0.000 0.972 26 L CA -0.337 54.738 54.840 0.393 0.000 0.831 26 L CB 1.699 44.038 42.059 0.467 0.000 1.273 26 L HN 0.592 nan 8.230 nan 0.000 0.405 27 Y N 5.541 125.932 120.300 0.152 0.000 2.353 27 Y HA 0.569 5.119 4.550 -0.001 0.000 0.340 27 Y C -1.014 174.896 175.900 0.018 0.000 0.972 27 Y CA -0.838 57.302 58.100 0.067 0.000 1.157 27 Y CB 0.928 39.413 38.460 0.041 0.000 1.157 27 Y HN 0.513 nan 8.280 nan 0.000 0.495 28 L N 10.259 131.116 121.223 -0.610 0.000 2.302 28 L HA 0.254 4.593 4.340 -0.001 0.000 0.285 28 L C -1.346 174.916 176.870 -1.013 0.000 1.090 28 L CA -1.579 52.850 54.840 -0.685 0.000 0.866 28 L CB 0.753 42.480 42.059 -0.553 0.000 1.244 28 L HN 0.571 nan 8.230 nan 0.000 0.435 29 P HA -0.217 nan 4.420 nan 0.000 0.214 29 P C 1.475 178.566 177.300 -0.349 0.000 1.163 29 P CA 1.818 64.570 63.100 -0.580 0.000 0.889 29 P CB 0.300 31.927 31.700 -0.122 0.000 0.790 30 G N 0.206 108.825 108.800 -0.302 0.000 2.440 30 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.218 30 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.218 30 G C 1.578 176.317 174.900 -0.269 0.000 1.154 30 G CA 0.663 45.629 45.100 -0.222 0.000 0.767 30 G HN 0.294 nan 8.290 nan 0.000 0.552 31 Q N -0.567 118.985 119.800 -0.412 0.000 2.424 31 Q HA 0.071 4.411 4.340 -0.001 0.000 0.204 31 Q C 1.073 176.924 176.000 -0.249 0.000 0.933 31 Q CA 0.583 56.170 55.803 -0.361 0.000 0.929 31 Q CB 0.040 28.483 28.738 -0.491 0.000 1.037 31 Q HN 0.735 nan 8.270 nan 0.000 0.511 32 Q N 0.834 120.469 119.800 -0.276 0.000 2.475 32 Q HA -0.179 4.161 4.340 -0.001 0.000 0.280 32 Q C -0.980 175.009 176.000 -0.018 0.000 1.234 32 Q CA 0.566 56.323 55.803 -0.076 0.000 0.873 32 Q CB -1.140 27.623 28.738 0.041 0.000 1.256 32 Q HN 0.446 nan 8.270 nan 0.000 0.475 33 S N -1.447 114.140 115.700 -0.189 0.000 2.632 33 S HA 0.890 5.359 4.470 -0.001 0.000 0.289 33 S C -0.394 174.161 174.600 -0.074 0.000 1.115 33 S CA -1.143 56.985 58.200 -0.119 0.000 0.889 33 S CB 2.074 65.174 63.200 -0.167 0.000 1.116 33 S HN 0.246 nan 8.310 nan 0.000 0.486 34 L N 0.900 122.078 121.223 -0.075 0.000 2.342 34 L HA 0.593 4.932 4.340 -0.001 0.000 0.271 34 L C -1.083 175.842 176.870 0.092 0.000 1.008 34 L CA -0.878 53.993 54.840 0.051 0.000 0.818 34 L CB 1.623 43.692 42.059 0.017 0.000 1.296 34 L HN 0.554 nan 8.230 nan 0.000 0.427 35 L N 2.749 124.103 121.223 0.217 0.000 2.298 35 L HA 0.624 4.963 4.340 -0.001 0.000 0.284 35 L C -0.156 176.847 176.870 0.222 0.000 1.013 35 L CA -0.461 54.484 54.840 0.175 0.000 0.824 35 L CB 1.726 43.953 42.059 0.281 0.000 1.221 35 L HN 0.656 nan 8.230 nan 0.000 0.418 36 A N 4.517 127.410 122.820 0.122 0.000 2.256 36 A HA 0.728 5.047 4.320 -0.001 0.000 0.317 36 A C -0.886 176.735 177.584 0.061 0.000 1.318 36 A CA -0.277 51.855 52.037 0.157 0.000 0.894 36 A CB 0.073 19.034 19.000 -0.064 0.000 1.165 36 A HN 0.513 nan 8.150 nan 0.000 0.525 37 F N 1.593 121.687 119.950 0.240 0.000 2.440 37 F HA 0.754 5.280 4.527 -0.001 0.000 0.328 37 F C 0.702 176.505 175.800 0.005 0.000 1.070 37 F CA 0.169 58.249 58.000 0.133 0.000 1.011 37 F CB 2.149 41.213 39.000 0.107 0.000 1.226 37 F HN 0.751 nan 8.300 nan 0.000 0.491 38 A N 1.154 123.985 122.820 0.019 0.000 2.597 38 A HA 0.486 4.805 4.320 -0.001 0.000 0.292 38 A C -1.473 176.021 177.584 -0.149 0.000 1.057 38 A CA -0.882 51.036 52.037 -0.198 0.000 0.674 38 A CB 1.015 19.551 19.000 -0.773 0.000 1.278 38 A HN 0.700 nan 8.150 nan 0.000 0.416 39 E N 0.965 121.082 120.200 -0.138 0.000 2.223 39 E HA 0.228 4.578 4.350 -0.001 0.000 0.282 39 E C -0.378 176.065 176.600 -0.261 0.000 1.046 39 E CA -0.141 56.165 56.400 -0.157 0.000 0.857 39 E CB 0.979 30.598 29.700 -0.136 0.000 1.055 39 E HN 0.503 nan 8.360 nan 0.000 0.409 40 Q N 4.956 124.577 119.800 -0.298 0.000 2.406 40 Q HA 0.123 4.462 4.340 -0.001 0.000 0.242 40 Q C -0.838 174.931 176.000 -0.386 0.000 1.036 40 Q CA -0.369 55.115 55.803 -0.531 0.000 0.904 40 Q CB 0.346 28.817 28.738 -0.445 0.000 1.244 40 Q HN 0.373 nan 8.270 nan 0.000 0.478 41 R N 2.081 122.362 120.500 -0.365 0.000 2.604 41 R HA 0.450 4.790 4.340 -0.001 0.000 0.287 41 R C 0.310 176.580 176.300 -0.050 0.000 0.970 41 R CA -0.230 55.774 56.100 -0.159 0.000 0.946 41 R CB 1.231 31.450 30.300 -0.135 0.000 1.127 41 R HN 0.598 nan 8.270 nan 0.000 0.473 42 A N 1.065 123.896 122.820 0.018 0.000 2.172 42 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 42 A C 0.847 178.429 177.584 -0.004 0.000 1.154 42 A CA 1.213 53.254 52.037 0.007 0.000 0.701 42 A CB 0.025 18.987 19.000 -0.064 0.000 0.789 42 A HN 0.648 nan 8.150 nan 0.000 0.465 43 S N -2.636 113.095 115.700 0.052 0.000 2.661 43 S HA 0.379 4.848 4.470 -0.001 0.000 0.268 43 S C 0.018 174.625 174.600 0.012 0.000 1.162 43 S CA -0.431 57.818 58.200 0.081 0.000 0.817 43 S CB 0.626 63.998 63.200 0.288 0.000 1.141 43 S HN 0.182 nan 8.310 nan 0.000 0.477 44 K N 0.507 120.900 120.400 -0.012 0.000 2.432 44 K HA 0.126 4.445 4.320 -0.001 0.000 0.196 44 K C -0.027 176.472 176.600 -0.167 0.000 1.038 44 K CA 0.580 56.818 56.287 -0.082 0.000 0.986 44 K CB -0.068 32.407 32.500 -0.042 0.000 0.782 44 K HN 0.307 nan 8.250 nan 0.000 0.485 45 K N 1.593 121.892 120.400 -0.168 0.000 2.339 45 K HA 0.003 4.322 4.320 -0.001 0.000 0.286 45 K C -0.057 176.385 176.600 -0.264 0.000 1.050 45 K CA -0.296 55.822 56.287 -0.281 0.000 0.956 45 K CB 1.038 33.263 32.500 -0.459 0.000 0.990 45 K HN -0.061 nan 8.250 nan 0.000 0.475 46 D N 2.465 122.730 120.400 -0.225 0.000 2.191 46 D HA -0.257 4.383 4.640 -0.001 0.000 0.190 46 D C 1.615 177.844 176.300 -0.118 0.000 1.007 46 D CA 1.718 55.620 54.000 -0.163 0.000 0.865 46 D CB 0.134 40.853 40.800 -0.134 0.000 0.929 46 D HN 0.660 nan 8.370 nan 0.000 0.447 47 E N 0.335 120.446 120.200 -0.148 0.000 2.472 47 E HA -0.178 4.171 4.350 -0.001 0.000 0.200 47 E C 0.719 177.377 176.600 0.097 0.000 1.046 47 E CA 0.875 57.244 56.400 -0.051 0.000 0.871 47 E CB -0.824 28.845 29.700 -0.053 0.000 0.806 47 E HN 0.609 nan 8.360 nan 0.000 0.533 48 H N 0.438 119.468 119.070 -0.066 0.000 2.517 48 H HA 0.433 4.988 4.556 -0.001 0.000 0.282 48 H C 0.428 175.711 175.328 -0.076 0.000 1.023 48 H CA -0.339 55.671 56.048 -0.063 0.000 1.169 48 H CB 0.602 30.327 29.762 -0.063 0.000 1.454 48 H HN 0.172 nan 8.280 nan 0.000 0.556 49 A N 1.101 123.936 122.820 0.024 0.000 2.462 49 A HA 0.075 4.394 4.320 -0.001 0.000 0.243 49 A C 0.537 178.098 177.584 -0.038 0.000 1.076 49 A CA -0.077 51.935 52.037 -0.041 0.000 0.773 49 A CB 0.707 19.672 19.000 -0.059 0.000 1.010 49 A HN 0.507 nan 8.150 nan 0.000 0.493 50 E N 0.836 120.989 120.200 -0.078 0.000 2.694 50 E HA 0.338 4.688 4.350 -0.001 0.000 0.224 50 E C -0.521 176.017 176.600 -0.102 0.000 1.068 50 E CA -0.186 56.169 56.400 -0.075 0.000 1.043 50 E CB -0.134 29.518 29.700 -0.079 0.000 2.367 50 E HN 0.583 nan 8.360 nan 0.000 0.565 51 L N 0.143 121.278 121.223 -0.146 0.000 2.216 51 L HA 0.485 4.824 4.340 -0.001 0.000 0.260 51 L C -0.357 176.400 176.870 -0.188 0.000 1.036 51 L CA -0.770 53.965 54.840 -0.174 0.000 0.914 51 L CB 0.549 42.511 42.059 -0.162 0.000 1.501 51 L HN 0.115 nan 8.230 nan 0.000 0.485 52 I N 1.198 121.645 120.570 -0.205 0.000 2.404 52 I HA 0.525 4.694 4.170 -0.001 0.000 0.293 52 I C -0.575 175.487 176.117 -0.093 0.000 0.992 52 I CA -0.930 60.280 61.300 -0.151 0.000 1.149 52 I CB 1.895 39.785 38.000 -0.184 0.000 1.315 52 I HN 0.366 nan 8.210 nan 0.000 0.446 53 V N 4.564 124.454 119.914 -0.039 0.000 2.975 53 V HA 0.749 4.868 4.120 -0.001 0.000 0.318 53 V C -0.795 175.316 176.094 0.029 0.000 1.077 53 V CA -0.731 61.579 62.300 0.016 0.000 1.000 53 V CB 2.038 33.922 31.823 0.103 0.000 1.066 53 V HN 0.599 nan 8.190 nan 0.000 0.452 54 L N 1.804 123.045 121.223 0.030 0.000 2.415 54 L HA 0.824 5.164 4.340 -0.001 0.000 0.256 54 L C -0.686 176.193 176.870 0.014 0.000 1.010 54 L CA -0.568 54.209 54.840 -0.104 0.000 0.826 54 L CB 2.350 44.258 42.059 -0.253 0.000 1.405 54 L HN 0.870 nan 8.230 nan 0.000 0.410 55 R N 2.547 123.030 120.500 -0.028 0.000 2.522 55 R HA 0.444 4.783 4.340 -0.001 0.000 0.283 55 R C -1.296 175.106 176.300 0.169 0.000 1.074 55 R CA -0.844 55.273 56.100 0.028 0.000 0.925 55 R CB 2.341 32.535 30.300 -0.176 0.000 1.205 55 R HN 0.629 nan 8.270 nan 0.000 0.436 56 R N 1.524 122.110 120.500 0.142 0.000 2.297 56 R HA 0.447 4.786 4.340 -0.001 0.000 0.308 56 R C -0.608 175.688 176.300 -0.007 0.000 1.029 56 R CA -0.232 55.913 56.100 0.075 0.000 0.929 56 R CB 1.375 31.682 30.300 0.010 0.000 1.046 56 R HN 0.787 nan 8.270 nan 0.000 0.461 57 G N 2.806 111.386 108.800 -0.367 0.000 2.461 57 G HA2 0.300 4.260 3.960 -0.001 0.000 0.323 57 G HA3 0.300 4.260 3.960 -0.001 0.000 0.323 57 G C -1.248 173.285 174.900 -0.613 0.000 1.229 57 G CA -0.531 43.942 45.100 -1.045 0.000 0.941 57 G HN 0.622 nan 8.290 nan 0.000 0.477 58 D N 0.740 120.852 120.400 -0.479 0.000 2.425 58 D HA 0.156 4.796 4.640 -0.001 0.000 0.240 58 D C -1.023 175.167 176.300 -0.184 0.000 1.080 58 D CA -0.230 53.621 54.000 -0.248 0.000 0.836 58 D CB 2.379 43.073 40.800 -0.176 0.000 1.125 58 D HN 0.371 nan 8.370 nan 0.000 0.525 59 Y N 1.879 122.078 120.300 -0.168 0.000 2.436 59 Y HA 0.106 4.655 4.550 -0.001 0.000 0.336 59 Y C -0.032 175.830 175.900 -0.065 0.000 1.049 59 Y CA -0.096 57.950 58.100 -0.091 0.000 1.294 59 Y CB 0.642 39.095 38.460 -0.012 0.000 1.179 59 Y HN 0.246 nan 8.280 nan 0.000 0.520 60 D N 4.326 124.363 120.400 -0.605 0.000 2.198 60 D HA 0.456 5.096 4.640 -0.001 0.000 0.245 60 D C 0.376 176.308 176.300 -0.613 0.000 1.079 60 D CA 0.271 54.011 54.000 -0.434 0.000 0.854 60 D CB 1.623 42.227 40.800 -0.326 0.000 1.148 60 D HN 0.707 nan 8.370 nan 0.000 0.456 61 A N 4.735 127.415 122.820 -0.234 0.000 1.855 61 A HA 0.097 4.417 4.320 -0.001 0.000 0.213 61 A C -0.458 177.094 177.584 -0.053 0.000 1.195 61 A CA 0.611 52.614 52.037 -0.056 0.000 0.610 61 A CB -1.344 17.708 19.000 0.087 0.000 0.837 61 A HN 0.602 nan 8.150 nan 0.000 0.444 62 P HA -0.178 nan 4.420 nan 0.000 0.217 62 P C 1.454 178.707 177.300 -0.080 0.000 1.151 62 P CA 2.315 65.389 63.100 -0.043 0.000 0.849 62 P CB -0.117 31.549 31.700 -0.057 0.000 0.787 63 T N -5.028 109.399 114.554 -0.210 0.000 3.023 63 T HA 0.001 4.351 4.350 -0.001 0.000 0.253 63 T C 0.586 174.808 174.700 -0.796 0.000 1.038 63 T CA -0.141 61.712 62.100 -0.412 0.000 0.962 63 T CB -1.003 67.668 68.868 -0.330 0.000 1.018 63 T HN 0.378 nan 8.240 nan 0.000 0.521 64 H N 1.303 120.217 119.070 -0.261 0.000 2.592 64 H HA -0.120 4.436 4.556 -0.001 0.000 0.323 64 H C -1.262 173.946 175.328 -0.200 0.000 1.117 64 H CA 0.502 56.388 56.048 -0.270 0.000 1.120 64 H CB -2.486 27.313 29.762 0.061 0.000 1.561 64 H HN 0.482 nan 8.280 nan 0.000 0.409 65 Q N 0.146 119.703 119.800 -0.404 0.000 2.416 65 Q HA 0.646 4.985 4.340 -0.001 0.000 0.281 65 Q C -0.258 175.629 176.000 -0.189 0.000 1.067 65 Q CA -1.019 54.688 55.803 -0.161 0.000 0.809 65 Q CB 3.186 31.826 28.738 -0.164 0.000 1.418 65 Q HN 0.193 nan 8.270 nan 0.000 0.411 66 V N 1.943 121.864 119.914 0.012 0.000 2.435 66 V HA 0.303 4.422 4.120 -0.001 0.000 0.290 66 V C -0.547 175.376 176.094 -0.285 0.000 1.030 66 V CA -0.689 61.511 62.300 -0.167 0.000 0.881 66 V CB 1.716 33.414 31.823 -0.208 0.000 0.983 66 V HN 0.643 nan 8.190 nan 0.000 0.445 67 Q N 3.778 123.361 119.800 -0.362 0.000 2.290 67 Q HA 0.460 4.800 4.340 -0.001 0.000 0.259 67 Q C -1.520 174.259 176.000 -0.369 0.000 0.941 67 Q CA -0.252 55.408 55.803 -0.237 0.000 0.912 67 Q CB 1.356 29.998 28.738 -0.159 0.000 1.244 67 Q HN 0.671 nan 8.270 nan 0.000 0.441 68 W N 2.261 123.499 121.300 -0.102 0.000 2.391 68 W HA 0.285 4.944 4.660 -0.001 0.000 0.311 68 W C 0.213 176.655 176.519 -0.129 0.000 1.087 68 W CA -0.542 56.714 57.345 -0.148 0.000 1.209 68 W CB 1.121 30.453 29.460 -0.212 0.000 1.273 68 W HN 0.478 nan 8.180 nan 0.000 0.482 69 Q N 2.001 121.867 119.800 0.110 0.000 2.396 69 Q HA 0.500 4.840 4.340 -0.001 0.000 0.221 69 Q C 0.491 176.516 176.000 0.040 0.000 1.025 69 Q CA -0.565 55.266 55.803 0.047 0.000 0.946 69 Q CB 0.705 29.453 28.738 0.018 0.000 1.224 69 Q HN 0.611 nan 8.270 nan 0.000 0.539 70 A N 1.113 123.939 122.820 0.011 0.000 2.492 70 A HA -0.051 4.269 4.320 -0.001 0.000 0.236 70 A C 0.131 177.706 177.584 -0.014 0.000 1.078 70 A CA -0.015 52.015 52.037 -0.011 0.000 0.773 70 A CB 0.063 19.062 19.000 -0.002 0.000 1.023 70 A HN 0.730 nan 8.150 nan 0.000 0.504 71 Q N -0.016 119.765 119.800 -0.031 0.000 2.361 71 Q HA 0.266 4.605 4.340 -0.001 0.000 0.276 71 Q C -0.217 175.809 176.000 0.043 0.000 1.022 71 Q CA 0.736 56.545 55.803 0.010 0.000 0.898 71 Q CB 0.294 29.041 28.738 0.016 0.000 1.246 71 Q HN 0.717 nan 8.270 nan 0.000 0.410 72 E N 3.048 123.287 120.200 0.065 0.000 2.311 72 E HA 0.255 4.604 4.350 -0.001 0.000 0.281 72 E C -1.866 174.762 176.600 0.046 0.000 0.905 72 E CA -0.748 55.685 56.400 0.054 0.000 0.778 72 E CB 1.820 31.554 29.700 0.057 0.000 1.240 72 E HN 0.523 nan 8.360 nan 0.000 0.410 73 V N 4.797 124.727 119.914 0.026 0.000 2.530 73 V HA 0.233 4.352 4.120 -0.001 0.000 0.282 73 V C -0.270 175.811 176.094 -0.022 0.000 1.048 73 V CA -0.142 62.151 62.300 -0.012 0.000 0.997 73 V CB 1.336 33.137 31.823 -0.036 0.000 0.987 73 V HN 0.547 nan 8.190 nan 0.000 0.477 74 V N 8.734 128.598 119.914 -0.084 0.000 2.055 74 V HA 0.206 4.325 4.120 -0.001 0.000 0.248 74 V C 1.719 177.719 176.094 -0.157 0.000 1.476 74 V CA 0.513 62.718 62.300 -0.159 0.000 1.417 74 V CB -0.683 30.919 31.823 -0.367 0.000 1.465 74 V HN 1.169 nan 8.190 nan 0.000 0.502 75 A N 2.764 125.548 122.820 -0.059 0.000 2.009 75 A HA -0.259 4.060 4.320 -0.001 0.000 0.222 75 A C 2.172 179.726 177.584 -0.050 0.000 1.175 75 A CA 1.848 53.859 52.037 -0.043 0.000 0.651 75 A CB -0.209 18.795 19.000 0.007 0.000 0.815 75 A HN 0.655 nan 8.150 nan 0.000 0.459 76 Q N -0.722 119.059 119.800 -0.032 0.000 2.187 76 Q HA 0.103 4.442 4.340 -0.001 0.000 0.199 76 Q C 1.480 177.440 176.000 -0.066 0.000 0.957 76 Q CA 0.925 56.730 55.803 0.004 0.000 0.857 76 Q CB -0.784 28.017 28.738 0.105 0.000 0.929 76 Q HN 0.629 nan 8.270 nan 0.000 0.453 77 A N 2.838 125.506 122.820 -0.255 0.000 3.092 77 A HA 0.197 4.516 4.320 -0.001 0.000 0.278 77 A C 0.178 177.354 177.584 -0.681 0.000 1.956 77 A CA 0.097 51.766 52.037 -0.614 0.000 1.501 77 A CB -1.121 17.354 19.000 -0.876 0.000 0.977 77 A HN 0.357 nan 8.150 nan 0.000 0.607 78 R N -0.456 119.914 120.500 -0.218 0.000 2.829 78 R HA 0.643 4.982 4.340 -0.001 0.000 0.283 78 R C -2.093 174.261 176.300 0.089 0.000 1.013 78 R CA -1.058 55.004 56.100 -0.063 0.000 0.848 78 R CB 0.634 30.874 30.300 -0.101 0.000 1.291 78 R HN 0.164 nan 8.270 nan 0.000 0.496 79 L N 1.064 122.340 121.223 0.088 0.000 2.408 79 L HA 0.419 4.759 4.340 -0.001 0.000 0.268 79 L C -0.948 175.988 176.870 0.110 0.000 0.986 79 L CA -1.324 53.545 54.840 0.048 0.000 0.820 79 L CB 2.327 44.309 42.059 -0.128 0.000 1.303 79 L HN 0.622 nan 8.230 nan 0.000 0.411 80 D N 2.835 123.291 120.400 0.094 0.000 2.581 80 D HA 0.129 4.769 4.640 -0.001 0.000 0.238 80 D C 1.168 177.577 176.300 0.182 0.000 1.145 80 D CA 1.603 55.667 54.000 0.106 0.000 0.866 80 D CB 1.058 41.903 40.800 0.075 0.000 1.151 80 D HN 0.907 nan 8.370 nan 0.000 0.500 81 G N 2.333 111.213 108.800 0.133 0.000 2.217 81 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.246 81 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.246 81 G C 0.138 175.068 174.900 0.050 0.000 0.990 81 G CA 0.013 45.168 45.100 0.092 0.000 0.627 81 G HN 0.640 nan 8.290 nan 0.000 0.522 82 H N 0.620 119.710 119.070 0.033 0.000 2.499 82 H HA 0.696 5.251 4.556 -0.001 0.000 0.340 82 H C 0.763 176.106 175.328 0.024 0.000 1.148 82 H CA -0.267 55.806 56.048 0.041 0.000 1.215 82 H CB 0.827 30.631 29.762 0.069 0.000 1.529 82 H HN 0.605 nan 8.280 nan 0.000 0.510 83 R N 1.095 121.668 120.500 0.121 0.000 2.428 83 R HA 0.635 4.974 4.340 -0.001 0.000 0.294 83 R C -0.875 175.465 176.300 0.068 0.000 1.000 83 R CA -0.794 55.339 56.100 0.053 0.000 0.960 83 R CB 1.016 31.327 30.300 0.017 0.000 1.076 83 R HN 0.389 nan 8.270 nan 0.000 0.475 84 S N 4.205 119.902 115.700 -0.004 0.000 2.554 84 S HA 0.576 5.045 4.470 -0.001 0.000 0.278 84 S C 0.113 174.697 174.600 -0.027 0.000 1.242 84 S CA -0.825 57.362 58.200 -0.022 0.000 1.051 84 S CB 1.098 64.129 63.200 -0.283 0.000 0.986 84 S HN 0.718 nan 8.310 nan 0.000 0.502 85 M N 0.563 120.190 119.600 0.045 0.000 2.773 85 M HA 0.545 5.025 4.480 -0.001 0.000 0.270 85 M C -1.420 174.925 176.300 0.075 0.000 1.238 85 M CA -0.758 54.555 55.300 0.022 0.000 0.832 85 M CB 1.353 33.951 32.600 -0.003 0.000 1.672 85 M HN 0.590 nan 8.290 nan 0.000 0.480 86 N N 0.688 119.426 118.700 0.063 0.000 2.688 86 N HA -0.066 4.673 4.740 -0.001 0.000 0.261 86 N C -2.720 172.861 175.510 0.118 0.000 1.116 86 N CA 0.230 53.340 53.050 0.101 0.000 0.689 86 N CB -1.004 37.535 38.487 0.087 0.000 0.882 86 N HN 0.573 nan 8.380 nan 0.000 0.554 87 P HA 0.127 nan 4.420 nan 0.000 0.271 87 P C -0.249 177.070 177.300 0.032 0.000 1.226 87 P CA 0.058 63.175 63.100 0.029 0.000 0.765 87 P CB 0.624 32.326 31.700 0.003 0.000 0.835 88 C N 6.701 126.020 119.300 0.033 0.000 3.002 88 C HA 0.323 4.782 4.460 -0.001 0.000 0.248 88 C C -2.002 173.043 174.990 0.092 0.000 1.153 88 C CA -1.696 57.391 59.018 0.114 0.000 1.502 88 C CB 0.864 28.727 27.740 0.206 0.000 1.805 88 C HN 0.497 nan 8.230 nan 0.000 0.450 89 P HA 0.502 nan 4.420 nan 0.000 0.277 89 P C -0.946 176.508 177.300 0.256 0.000 1.240 89 P CA -0.071 63.022 63.100 -0.013 0.000 0.798 89 P CB 1.895 33.503 31.700 -0.154 0.000 0.979 90 L N 2.974 124.396 121.223 0.332 0.000 2.556 90 L HA 0.538 4.877 4.340 -0.001 0.000 0.257 90 L C -2.119 175.050 176.870 0.499 0.000 0.955 90 L CA -1.048 54.048 54.840 0.426 0.000 0.850 90 L CB 1.902 44.232 42.059 0.451 0.000 1.398 90 L HN 0.294 nan 8.230 nan 0.000 0.412 91 Y N 3.145 123.648 120.300 0.339 0.000 2.350 91 Y HA 0.496 5.045 4.550 -0.001 0.000 0.338 91 Y C -0.751 175.325 175.900 0.294 0.000 0.961 91 Y CA -0.606 57.671 58.100 0.296 0.000 1.100 91 Y CB 1.309 39.908 38.460 0.233 0.000 1.179 91 Y HN 0.691 nan 8.280 nan 0.000 0.454 92 D N 4.760 124.922 120.400 -0.396 0.000 2.365 92 D HA 0.266 4.906 4.640 -0.001 0.000 0.237 92 D C 0.562 176.559 176.300 -0.505 0.000 1.190 92 D CA 0.363 54.244 54.000 -0.199 0.000 0.867 92 D CB 1.658 42.475 40.800 0.028 0.000 1.050 92 D HN 0.850 nan 8.370 nan 0.000 0.491 93 A N 3.826 126.590 122.820 -0.094 0.000 2.119 93 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 93 A C 1.839 179.452 177.584 0.048 0.000 1.153 93 A CA 0.959 53.057 52.037 0.101 0.000 0.692 93 A CB -0.108 19.026 19.000 0.224 0.000 0.799 93 A HN 0.669 nan 8.150 nan 0.000 0.458 94 Q N -0.725 119.075 119.800 -0.001 0.000 2.204 94 Q HA -0.085 4.254 4.340 -0.001 0.000 0.198 94 Q C 1.944 177.872 176.000 -0.121 0.000 0.946 94 Q CA 1.647 57.431 55.803 -0.031 0.000 0.859 94 Q CB 0.108 28.846 28.738 0.001 0.000 0.946 94 Q HN 0.741 nan 8.270 nan 0.000 0.474 95 T N -5.213 109.233 114.554 -0.180 0.000 2.990 95 T HA 0.293 4.642 4.350 -0.001 0.000 0.250 95 T C 1.204 175.816 174.700 -0.147 0.000 1.041 95 T CA 0.630 62.621 62.100 -0.181 0.000 1.010 95 T CB 0.822 69.569 68.868 -0.202 0.000 1.003 95 T HN 0.390 nan 8.240 nan 0.000 0.499 96 G N 1.259 109.932 108.800 -0.211 0.000 2.143 96 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.249 96 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.249 96 G C 0.095 174.855 174.900 -0.234 0.000 0.981 96 G CA 0.179 45.201 45.100 -0.131 0.000 0.665 96 G HN 0.734 nan 8.290 nan 0.000 0.528 97 T N 0.888 115.239 114.554 -0.340 0.000 2.856 97 T HA 0.561 4.910 4.350 -0.001 0.000 0.292 97 T C 0.324 174.840 174.700 -0.307 0.000 0.980 97 T CA -0.216 61.687 62.100 -0.329 0.000 1.091 97 T CB 1.982 70.648 68.868 -0.336 0.000 0.936 97 T HN 0.332 nan 8.240 nan 0.000 0.503 98 L N 3.798 124.869 121.223 -0.253 0.000 2.282 98 L HA 0.555 4.895 4.340 -0.001 0.000 0.288 98 L C -1.321 175.465 176.870 -0.139 0.000 1.033 98 L CA -0.729 54.114 54.840 0.005 0.000 0.807 98 L CB 0.511 42.572 42.059 0.004 0.000 1.209 98 L HN 0.576 nan 8.230 nan 0.000 0.423 99 F N 5.113 125.141 119.950 0.130 0.000 2.469 99 F HA 0.437 4.963 4.527 -0.001 0.000 0.332 99 F C -0.222 175.490 175.800 -0.147 0.000 1.103 99 F CA -0.569 57.368 58.000 -0.105 0.000 0.979 99 F CB 1.836 40.615 39.000 -0.367 0.000 1.137 99 F HN 0.237 nan 8.300 nan 0.000 0.463 100 L N 5.453 126.631 121.223 -0.074 0.000 2.454 100 L HA 0.543 4.882 4.340 -0.001 0.000 0.258 100 L C -1.608 175.175 176.870 -0.145 0.000 1.025 100 L CA -0.323 54.404 54.840 -0.189 0.000 0.901 100 L CB -0.148 41.688 42.059 -0.372 0.000 1.210 100 L HN 0.286 nan 8.230 nan 0.000 0.457 101 F N 5.193 125.182 119.950 0.065 0.000 2.399 101 F HA 0.662 5.189 4.527 -0.001 0.000 0.342 101 F C 0.193 175.994 175.800 0.002 0.000 1.106 101 F CA -0.106 57.846 58.000 -0.081 0.000 1.196 101 F CB 0.883 39.782 39.000 -0.168 0.000 1.163 101 F HN 0.418 nan 8.300 nan 0.000 0.547 102 F N 1.193 121.190 119.950 0.079 0.000 2.713 102 F HA 0.715 5.242 4.527 -0.001 0.000 0.311 102 F C -1.438 174.355 175.800 -0.012 0.000 1.141 102 F CA -2.114 55.885 58.000 -0.001 0.000 0.939 102 F CB 0.907 39.877 39.000 -0.051 0.000 1.325 102 F HN 0.399 nan 8.300 nan 0.000 0.453 103 I N 0.909 121.568 120.570 0.150 0.000 2.460 103 I HA 0.943 5.112 4.170 -0.001 0.000 0.298 103 I C -0.678 175.552 176.117 0.188 0.000 0.989 103 I CA -1.018 60.290 61.300 0.014 0.000 1.173 103 I CB 1.735 39.623 38.000 -0.187 0.000 1.338 103 I HN 0.953 nan 8.210 nan 0.000 0.456 104 A N 7.286 130.203 122.820 0.162 0.000 2.317 104 A HA 0.847 5.167 4.320 -0.001 0.000 0.327 104 A C -0.651 177.107 177.584 0.290 0.000 1.178 104 A CA -0.645 51.541 52.037 0.248 0.000 0.817 104 A CB 0.906 20.016 19.000 0.183 0.000 1.189 104 A HN 0.776 nan 8.150 nan 0.000 0.489 105 I N 2.871 123.602 120.570 0.267 0.000 2.499 105 I HA 0.292 4.462 4.170 -0.001 0.000 0.288 105 I C -2.531 173.573 176.117 -0.022 0.000 1.048 105 I CA -2.352 59.043 61.300 0.160 0.000 1.062 105 I CB 2.733 40.766 38.000 0.055 0.000 1.238 105 I HN 0.387 nan 8.210 nan 0.000 0.426 106 P HA -0.027 nan 4.420 nan 0.000 0.258 106 P C 0.822 177.999 177.300 -0.206 0.000 1.172 106 P CA 0.929 63.720 63.100 -0.515 0.000 0.762 106 P CB 0.373 31.854 31.700 -0.365 0.000 0.764 107 G N 4.634 113.335 108.800 -0.165 0.000 2.698 107 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.346 107 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.346 107 G C 0.259 175.138 174.900 -0.035 0.000 1.287 107 G CA 0.359 45.416 45.100 -0.072 0.000 0.990 107 G HN 0.590 nan 8.290 nan 0.000 0.545 108 Q N -0.314 119.475 119.800 -0.018 0.000 2.186 108 Q HA 0.446 4.785 4.340 -0.001 0.000 0.241 108 Q C -0.017 175.983 176.000 -0.001 0.000 0.849 108 Q CA -0.363 55.448 55.803 0.012 0.000 1.053 108 Q CB 1.385 30.152 28.738 0.048 0.000 1.146 108 Q HN 0.332 nan 8.270 nan 0.000 0.475 109 V N 3.074 122.977 119.914 -0.020 0.000 2.425 109 V HA -0.031 4.088 4.120 -0.001 0.000 0.276 109 V C 1.162 177.244 176.094 -0.020 0.000 1.017 109 V CA 0.328 62.616 62.300 -0.020 0.000 1.062 109 V CB -0.197 31.612 31.823 -0.023 0.000 0.997 109 V HN 0.445 nan 8.190 nan 0.000 0.476 110 T N 1.442 115.981 114.554 -0.025 0.000 2.680 110 T HA 0.048 4.397 4.350 -0.001 0.000 0.314 110 T C 1.131 175.806 174.700 -0.041 0.000 1.045 110 T CA 0.354 62.431 62.100 -0.038 0.000 1.025 110 T CB 0.907 69.747 68.868 -0.047 0.000 1.000 110 T HN 0.760 nan 8.240 nan 0.000 0.535 111 E N -0.508 119.662 120.200 -0.050 0.000 2.076 111 E HA -0.172 4.177 4.350 -0.001 0.000 0.190 111 E C 2.199 178.740 176.600 -0.097 0.000 0.979 111 E CA 0.358 56.721 56.400 -0.062 0.000 0.807 111 E CB -0.103 29.571 29.700 -0.045 0.000 0.761 111 E HN 0.601 nan 8.360 nan 0.000 0.454 112 Q N 0.799 120.547 119.800 -0.087 0.000 2.077 112 Q HA -0.235 4.105 4.340 -0.001 0.000 0.206 112 Q C 2.099 178.051 176.000 -0.079 0.000 0.989 112 Q CA 1.790 57.538 55.803 -0.092 0.000 0.853 112 Q CB -0.211 28.486 28.738 -0.067 0.000 0.907 112 Q HN 0.453 nan 8.270 nan 0.000 0.418 113 Q N -0.232 119.534 119.800 -0.057 0.000 2.096 113 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 113 Q C 2.114 178.089 176.000 -0.042 0.000 0.982 113 Q CA 1.554 57.333 55.803 -0.041 0.000 0.850 113 Q CB -0.040 28.680 28.738 -0.029 0.000 0.901 113 Q HN 0.487 nan 8.270 nan 0.000 0.422 114 Q N -0.139 119.632 119.800 -0.048 0.000 2.230 114 Q HA -0.082 4.258 4.340 -0.001 0.000 0.202 114 Q C 2.048 178.009 176.000 -0.065 0.000 0.963 114 Q CA 0.744 56.524 55.803 -0.039 0.000 0.866 114 Q CB 0.084 28.808 28.738 -0.025 0.000 0.931 114 Q HN 0.399 nan 8.270 nan 0.000 0.452 115 L N 0.219 121.372 121.223 -0.117 0.000 2.034 115 L HA -0.158 4.181 4.340 -0.001 0.000 0.203 115 L C 2.498 179.318 176.870 -0.084 0.000 1.074 115 L CA 0.767 55.514 54.840 -0.154 0.000 0.748 115 L CB -0.508 41.395 42.059 -0.260 0.000 0.905 115 L HN 0.185 nan 8.230 nan 0.000 0.439 116 Q N -0.060 119.698 119.800 -0.070 0.000 2.197 116 Q HA -0.210 4.130 4.340 -0.001 0.000 0.207 116 Q C 2.053 178.035 176.000 -0.030 0.000 0.984 116 Q CA 2.196 57.973 55.803 -0.044 0.000 0.869 116 Q CB -0.509 28.206 28.738 -0.038 0.000 0.906 116 Q HN 0.635 nan 8.270 nan 0.000 0.426 117 T N -3.749 110.788 114.554 -0.028 0.000 3.105 117 T HA 0.226 4.575 4.350 -0.001 0.000 0.253 117 T C 0.426 175.119 174.700 -0.012 0.000 1.047 117 T CA -0.316 61.775 62.100 -0.017 0.000 0.944 117 T CB 0.125 68.986 68.868 -0.012 0.000 1.016 117 T HN 0.246 nan 8.240 nan 0.000 0.544 118 R N 0.385 120.877 120.500 -0.014 0.000 3.502 118 R HA -0.154 4.186 4.340 -0.001 0.000 0.266 118 R C -0.160 176.141 176.300 0.001 0.000 1.077 118 R CA 0.524 56.624 56.100 0.000 0.000 0.718 118 R CB -2.189 28.113 30.300 0.004 0.000 1.120 118 R HN 0.661 nan 8.270 nan 0.000 0.457 119 A N 1.242 124.060 122.820 -0.003 0.000 2.323 119 A HA 0.382 4.701 4.320 -0.001 0.000 0.305 119 A C -0.409 177.176 177.584 0.002 0.000 1.275 119 A CA -0.693 51.345 52.037 0.001 0.000 0.804 119 A CB 0.906 19.912 19.000 0.011 0.000 1.152 119 A HN 0.222 nan 8.150 nan 0.000 0.487 120 N N 1.945 120.623 118.700 -0.036 0.000 2.458 120 N HA 0.301 5.040 4.740 -0.001 0.000 0.270 120 N C 0.385 175.923 175.510 0.047 0.000 1.102 120 N CA 0.305 53.319 53.050 -0.061 0.000 0.967 120 N CB 1.377 39.683 38.487 -0.302 0.000 1.078 120 N HN 0.764 nan 8.380 nan 0.000 0.471 121 V N -0.164 119.846 119.914 0.161 0.000 3.276 121 V HA 0.359 4.479 4.120 -0.001 0.000 0.319 121 V C 0.311 176.606 176.094 0.336 0.000 1.476 121 V CA -0.409 62.050 62.300 0.266 0.000 1.097 121 V CB -0.410 31.502 31.823 0.147 0.000 0.988 121 V HN 0.447 nan 8.190 nan 0.000 0.473 122 T N 3.035 117.810 114.554 0.370 0.000 2.904 122 T HA 0.538 4.887 4.350 -0.001 0.000 0.290 122 T C -0.078 174.942 174.700 0.533 0.000 1.018 122 T CA -0.162 62.123 62.100 0.308 0.000 1.075 122 T CB 0.974 69.839 68.868 -0.006 0.000 0.986 122 T HN 0.381 nan 8.240 nan 0.000 0.523 123 R N 1.611 122.302 120.500 0.318 0.000 2.599 123 R HA 0.417 4.756 4.340 -0.001 0.000 0.295 123 R C -1.181 175.236 176.300 0.196 0.000 0.963 123 R CA -1.012 55.248 56.100 0.267 0.000 0.883 123 R CB 1.922 32.258 30.300 0.061 0.000 1.171 123 R HN 0.374 nan 8.270 nan 0.000 0.450 124 L N 3.711 125.071 121.223 0.229 0.000 2.270 124 L HA 0.335 4.674 4.340 -0.001 0.000 0.286 124 L C -0.888 175.832 176.870 -0.250 0.000 1.059 124 L CA -0.200 54.654 54.840 0.024 0.000 0.839 124 L CB 0.214 42.279 42.059 0.011 0.000 1.221 124 L HN 0.619 nan 8.230 nan 0.000 0.431 125 C N 3.566 122.559 119.300 -0.511 0.000 2.486 125 C HA 0.906 5.366 4.460 -0.001 0.000 0.348 125 C C -0.093 174.383 174.990 -0.858 0.000 1.203 125 C CA -0.706 57.881 59.018 -0.719 0.000 1.911 125 C CB 1.538 28.728 27.740 -0.917 0.000 2.340 125 C HN 0.852 nan 8.230 nan 0.000 0.511 126 Q N 0.136 119.672 119.800 -0.441 0.000 2.462 126 Q HA 0.863 5.202 4.340 -0.001 0.000 0.285 126 Q C -1.468 174.584 176.000 0.087 0.000 1.035 126 Q CA -0.713 55.010 55.803 -0.133 0.000 0.799 126 Q CB 1.798 30.607 28.738 0.117 0.000 1.452 126 Q HN 0.770 nan 8.270 nan 0.000 0.404 127 V N -1.880 118.136 119.914 0.169 0.000 2.925 127 V HA 0.917 5.036 4.120 -0.001 0.000 0.311 127 V C -0.573 175.701 176.094 0.299 0.000 1.104 127 V CA -0.214 62.245 62.300 0.266 0.000 0.954 127 V CB 1.492 33.481 31.823 0.277 0.000 1.022 127 V HN 1.070 nan 8.190 nan 0.000 0.427 128 T N -0.414 114.289 114.554 0.249 0.000 2.916 128 T HA 0.835 5.185 4.350 -0.001 0.000 0.292 128 T C -0.351 174.281 174.700 -0.112 0.000 1.055 128 T CA -0.656 61.422 62.100 -0.036 0.000 1.009 128 T CB 1.794 70.479 68.868 -0.306 0.000 1.118 128 T HN 1.314 nan 8.240 nan 0.000 0.497 129 S N -0.026 115.413 115.700 -0.436 0.000 2.614 129 S HA 0.497 4.966 4.470 -0.001 0.000 0.275 129 S C 0.651 174.975 174.600 -0.459 0.000 1.161 129 S CA -0.223 57.602 58.200 -0.624 0.000 0.969 129 S CB 1.311 63.696 63.200 -1.358 0.000 1.059 129 S HN 1.061 nan 8.310 nan 0.000 0.482 130 T N -0.084 114.256 114.554 -0.356 0.000 3.086 130 T HA 0.160 4.509 4.350 -0.001 0.000 0.250 130 T C 0.275 174.766 174.700 -0.347 0.000 1.074 130 T CA 0.441 62.358 62.100 -0.306 0.000 0.988 130 T CB -0.367 68.378 68.868 -0.205 0.000 0.988 130 T HN 0.605 nan 8.240 nan 0.000 0.530 131 D N 0.250 120.436 120.400 -0.358 0.000 2.670 131 D HA 0.076 4.716 4.640 -0.001 0.000 0.255 131 D C -0.031 176.139 176.300 -0.216 0.000 1.286 131 D CA -0.847 52.994 54.000 -0.265 0.000 0.830 131 D CB -1.015 39.694 40.800 -0.153 0.000 1.065 131 D HN 0.392 nan 8.370 nan 0.000 0.486 132 H N -0.036 118.938 119.070 -0.161 0.000 2.770 132 H HA -0.125 4.430 4.556 -0.001 0.000 0.309 132 H C 1.465 176.697 175.328 -0.161 0.000 1.206 132 H CA 1.028 56.992 56.048 -0.139 0.000 1.147 132 H CB -1.574 28.111 29.762 -0.129 0.000 1.422 132 H HN 0.666 nan 8.280 nan 0.000 0.420 133 G N -0.586 108.007 108.800 -0.345 0.000 2.199 133 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.254 133 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.254 133 G C 1.419 176.213 174.900 -0.177 0.000 0.982 133 G CA 0.609 45.530 45.100 -0.299 0.000 0.632 133 G HN 0.533 nan 8.290 nan 0.000 0.529 134 R N 0.245 120.640 120.500 -0.175 0.000 2.091 134 R HA 0.073 4.412 4.340 -0.001 0.000 0.238 134 R C 0.675 176.924 176.300 -0.085 0.000 1.136 134 R CA 1.736 57.792 56.100 -0.074 0.000 0.959 134 R CB -0.208 30.054 30.300 -0.064 0.000 0.856 134 R HN 0.490 nan 8.270 nan 0.000 0.437 135 T N -1.355 113.044 114.554 -0.260 0.000 2.903 135 T HA 0.407 4.757 4.350 -0.001 0.000 0.299 135 T C -1.393 173.066 174.700 -0.401 0.000 1.093 135 T CA -0.697 61.308 62.100 -0.159 0.000 1.002 135 T CB 1.774 70.590 68.868 -0.087 0.000 1.127 135 T HN 0.113 nan 8.240 nan 0.000 0.488 136 W N 1.362 122.672 121.300 0.015 0.000 2.844 136 W HA 0.589 5.248 4.660 -0.001 0.000 0.340 136 W C 0.681 177.204 176.519 0.007 0.000 1.093 136 W CA -0.789 56.564 57.345 0.013 0.000 1.212 136 W CB 1.302 30.785 29.460 0.038 0.000 1.422 136 W HN 0.841 nan 8.180 nan 0.000 0.515 137 S N 0.556 116.388 115.700 0.219 0.000 2.617 137 S HA 0.414 4.884 4.470 -0.001 0.000 0.255 137 S C 0.422 175.123 174.600 0.167 0.000 1.318 137 S CA -0.658 57.623 58.200 0.134 0.000 0.978 137 S CB 0.346 63.597 63.200 0.085 0.000 0.961 137 S HN 0.480 nan 8.310 nan 0.000 0.582 138 S N 0.945 116.714 115.700 0.116 0.000 2.603 138 S HA 0.401 4.871 4.470 -0.001 0.000 0.268 138 S C -2.532 172.143 174.600 0.125 0.000 1.317 138 S CA -1.226 57.039 58.200 0.108 0.000 1.012 138 S CB -0.376 62.870 63.200 0.076 0.000 0.926 138 S HN 0.736 nan 8.310 nan 0.000 0.539 139 P HA 0.149 nan 4.420 nan 0.000 0.265 139 P C -0.709 176.650 177.300 0.099 0.000 1.193 139 P CA -0.082 63.116 63.100 0.163 0.000 0.765 139 P CB 0.388 32.205 31.700 0.194 0.000 0.823 140 R N 2.129 122.674 120.500 0.075 0.000 2.562 140 R HA 0.320 4.659 4.340 -0.001 0.000 0.298 140 R C -0.691 175.590 176.300 -0.031 0.000 0.961 140 R CA -0.593 55.529 56.100 0.037 0.000 0.881 140 R CB 0.982 31.327 30.300 0.074 0.000 1.159 140 R HN 0.298 nan 8.270 nan 0.000 0.450 141 D N 5.521 125.897 120.400 -0.041 0.000 2.467 141 D HA 0.132 4.771 4.640 -0.001 0.000 0.220 141 D C 0.478 176.724 176.300 -0.090 0.000 1.103 141 D CA -0.209 53.737 54.000 -0.090 0.000 0.886 141 D CB 0.931 41.680 40.800 -0.085 0.000 1.025 141 D HN 0.618 nan 8.370 nan 0.000 0.514 142 L N 2.582 123.724 121.223 -0.135 0.000 2.650 142 L HA 0.000 4.339 4.340 -0.001 0.000 0.235 142 L C 2.075 178.836 176.870 -0.182 0.000 1.149 142 L CA 0.125 54.870 54.840 -0.158 0.000 0.887 142 L CB -0.304 41.569 42.059 -0.311 0.000 1.021 142 L HN 0.251 nan 8.230 nan 0.000 0.441 143 T N -0.687 113.771 114.554 -0.159 0.000 2.652 143 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 143 T C 1.404 175.991 174.700 -0.188 0.000 1.039 143 T CA 1.646 63.638 62.100 -0.179 0.000 1.153 143 T CB -0.133 68.604 68.868 -0.220 0.000 0.863 143 T HN 0.326 nan 8.240 nan 0.000 0.428 144 D N 1.239 121.542 120.400 -0.161 0.000 2.117 144 D HA -0.002 4.638 4.640 -0.001 0.000 0.197 144 D C 2.331 178.591 176.300 -0.067 0.000 0.987 144 D CA 1.331 55.256 54.000 -0.126 0.000 0.829 144 D CB -0.471 40.272 40.800 -0.094 0.000 0.961 144 D HN 0.421 nan 8.370 nan 0.000 0.460 145 A N 0.475 123.276 122.820 -0.031 0.000 1.930 145 A HA 0.153 4.472 4.320 -0.001 0.000 0.215 145 A C 2.185 179.810 177.584 0.068 0.000 1.176 145 A CA 1.790 53.846 52.037 0.032 0.000 0.632 145 A CB -0.376 18.673 19.000 0.083 0.000 0.819 145 A HN 0.227 nan 8.150 nan 0.000 0.445 146 A N -0.994 121.838 122.820 0.020 0.000 2.030 146 A HA 0.327 4.647 4.320 -0.001 0.000 0.215 146 A C 1.877 179.546 177.584 0.141 0.000 1.164 146 A CA 1.176 53.255 52.037 0.070 0.000 0.697 146 A CB -0.203 18.642 19.000 -0.257 0.000 0.827 146 A HN 0.441 nan 8.150 nan 0.000 0.457 147 I N -2.610 117.969 120.570 0.014 0.000 3.971 147 I HA 0.221 4.391 4.170 -0.001 0.000 0.303 147 I C 2.030 178.074 176.117 -0.122 0.000 1.233 147 I CA 0.500 61.777 61.300 -0.039 0.000 1.346 147 I CB -0.383 37.537 38.000 -0.133 0.000 1.273 147 I HN 0.389 nan 8.210 nan 0.000 0.448 148 G N 3.075 111.807 108.800 -0.113 0.000 2.699 148 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.351 148 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.351 148 G C -1.098 173.736 174.900 -0.109 0.000 1.191 148 G CA 1.154 46.191 45.100 -0.105 0.000 0.953 148 G HN 0.234 nan 8.290 nan 0.000 0.557 149 P HA 0.197 nan 4.420 nan 0.000 0.220 149 P C 1.904 179.100 177.300 -0.174 0.000 1.148 149 P CA 2.384 65.425 63.100 -0.098 0.000 0.803 149 P CB -0.271 31.388 31.700 -0.069 0.000 0.782 150 A N -2.098 120.549 122.820 -0.289 0.000 2.209 150 A HA -0.149 4.171 4.320 -0.001 0.000 0.212 150 A C 1.937 178.953 177.584 -0.946 0.000 1.158 150 A CA 0.562 52.254 52.037 -0.576 0.000 0.742 150 A CB -1.532 17.085 19.000 -0.638 0.000 0.790 150 A HN 0.090 nan 8.150 nan 0.000 0.472 151 Y N 1.741 121.624 120.300 -0.694 0.000 2.097 151 Y HA -0.297 4.252 4.550 -0.001 0.000 0.282 151 Y C 2.547 178.246 175.900 -0.334 0.000 1.152 151 Y CA 2.387 60.160 58.100 -0.544 0.000 1.136 151 Y CB -0.255 38.040 38.460 -0.276 0.000 0.975 151 Y HN 0.505 nan 8.280 nan 0.000 0.498 152 R N -0.065 120.343 120.500 -0.154 0.000 2.193 152 R HA -0.116 4.223 4.340 -0.001 0.000 0.229 152 R C 1.638 177.856 176.300 -0.137 0.000 1.110 152 R CA 1.713 57.744 56.100 -0.116 0.000 0.988 152 R CB -0.666 29.612 30.300 -0.037 0.000 0.871 152 R HN 0.391 nan 8.270 nan 0.000 0.458 153 E N -0.120 119.936 120.200 -0.240 0.000 2.418 153 E HA -0.045 4.304 4.350 -0.001 0.000 0.197 153 E C -0.396 176.279 176.600 0.125 0.000 1.026 153 E CA 0.279 56.607 56.400 -0.119 0.000 0.862 153 E CB 0.195 29.792 29.700 -0.171 0.000 0.799 153 E HN 0.287 nan 8.360 nan 0.000 0.518 154 W N -0.663 120.599 121.300 -0.064 0.000 2.761 154 W HA 0.300 4.959 4.660 -0.001 0.000 0.340 154 W C 0.982 177.475 176.519 -0.042 0.000 1.072 154 W CA -1.412 55.916 57.345 -0.028 0.000 1.215 154 W CB 0.922 30.385 29.460 0.004 0.000 1.420 154 W HN -0.257 nan 8.180 nan 0.000 0.519 155 S N 0.526 116.385 115.700 0.266 0.000 2.377 155 S HA -0.018 4.451 4.470 -0.001 0.000 0.223 155 S C 0.674 175.348 174.600 0.123 0.000 1.030 155 S CA 1.413 59.686 58.200 0.122 0.000 0.970 155 S CB 0.146 63.383 63.200 0.060 0.000 0.830 155 S HN 0.582 nan 8.310 nan 0.000 0.473 156 T N -0.490 114.211 114.554 0.245 0.000 2.693 156 T HA 0.572 4.921 4.350 -0.001 0.000 0.304 156 T C -2.119 172.856 174.700 0.459 0.000 1.471 156 T CA -0.804 61.467 62.100 0.284 0.000 0.993 156 T CB 0.819 69.746 68.868 0.098 0.000 1.554 156 T HN 0.265 nan 8.240 nan 0.000 0.496 157 F N -0.471 119.552 119.950 0.121 0.000 2.817 157 F HA 0.910 5.437 4.527 -0.001 0.000 0.317 157 F C -1.508 174.181 175.800 -0.185 0.000 1.168 157 F CA -0.657 57.298 58.000 -0.074 0.000 0.911 157 F CB 0.862 39.884 39.000 0.038 0.000 1.337 157 F HN 0.954 nan 8.300 nan 0.000 0.464 158 A N 0.778 123.227 122.820 -0.618 0.000 2.608 158 A HA 0.741 5.060 4.320 -0.001 0.000 0.292 158 A C -1.558 175.853 177.584 -0.287 0.000 1.066 158 A CA -0.316 51.393 52.037 -0.546 0.000 0.676 158 A CB 1.224 19.981 19.000 -0.404 0.000 1.277 158 A HN 1.966 nan 8.150 nan 0.000 0.413 159 V N -0.206 119.653 119.914 -0.093 0.000 2.732 159 V HA 0.916 5.036 4.120 -0.001 0.000 0.310 159 V C 1.109 177.230 176.094 0.046 0.000 1.053 159 V CA 0.256 62.551 62.300 -0.008 0.000 0.957 159 V CB 0.405 32.230 31.823 0.002 0.000 1.018 159 V HN 2.882 nan 8.190 nan 0.000 0.452 160 G N 3.390 112.222 108.800 0.053 0.000 2.634 160 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.309 160 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.309 160 G C -1.958 173.044 174.900 0.169 0.000 1.265 160 G CA 0.308 45.466 45.100 0.097 0.000 0.998 160 G HN 1.015 nan 8.290 nan 0.000 0.551 161 P HA 0.507 nan 4.420 nan 0.000 0.274 161 P C 0.530 177.946 177.300 0.194 0.000 1.237 161 P CA 1.513 64.740 63.100 0.212 0.000 0.793 161 P CB 1.065 32.950 31.700 0.308 0.000 0.977 162 G N 0.059 108.985 108.800 0.210 0.000 2.353 162 G HA2 0.013 3.973 3.960 -0.001 0.000 0.615 162 G HA3 0.013 3.973 3.960 -0.001 0.000 0.615 162 G C -0.746 174.304 174.900 0.251 0.000 1.280 162 G CA -0.695 44.565 45.100 0.266 0.000 1.000 162 G HN 0.997 nan 8.290 nan 0.000 0.516 163 H N -0.790 118.412 119.070 0.219 0.000 2.690 163 H HA 0.650 5.205 4.556 -0.001 0.000 0.365 163 H C 0.720 176.181 175.328 0.221 0.000 1.142 163 H CA 0.454 56.642 56.048 0.233 0.000 1.417 163 H CB 0.209 30.132 29.762 0.268 0.000 1.446 163 H HN 0.713 nan 8.280 nan 0.000 0.599 164 C N 1.482 120.893 119.300 0.184 0.000 2.370 164 C HA 0.596 5.055 4.460 -0.001 0.000 0.371 164 C C 0.397 175.485 174.990 0.162 0.000 2.631 164 C CA -0.536 58.557 59.018 0.125 0.000 1.819 164 C CB 0.642 28.537 27.740 0.259 0.000 2.131 164 C HN 0.774 nan 8.230 nan 0.000 0.400 165 L N 0.746 122.079 121.223 0.183 0.000 2.445 165 L HA 0.498 4.838 4.340 -0.001 0.000 0.262 165 L C -0.957 176.029 176.870 0.193 0.000 0.974 165 L CA -0.028 54.935 54.840 0.204 0.000 0.822 165 L CB 1.731 43.888 42.059 0.162 0.000 1.339 165 L HN 0.789 nan 8.230 nan 0.000 0.409 166 Q N 4.101 124.020 119.800 0.198 0.000 2.327 166 Q HA 0.603 4.942 4.340 -0.001 0.000 0.270 166 Q C -1.575 174.507 176.000 0.137 0.000 1.022 166 Q CA -0.601 55.298 55.803 0.160 0.000 0.773 166 Q CB 1.314 30.161 28.738 0.183 0.000 1.251 166 Q HN 0.782 nan 8.270 nan 0.000 0.457 167 L N 3.067 124.352 121.223 0.102 0.000 2.464 167 L HA 0.214 4.553 4.340 -0.001 0.000 0.264 167 L C 0.257 177.174 176.870 0.077 0.000 1.199 167 L CA -0.219 54.673 54.840 0.086 0.000 0.818 167 L CB 0.370 42.468 42.059 0.066 0.000 1.102 167 L HN 0.734 nan 8.230 nan 0.000 0.473 168 N N 0.231 118.972 118.700 0.069 0.000 2.451 168 N HA 0.036 4.776 4.740 -0.001 0.000 0.264 168 N C -0.861 174.673 175.510 0.039 0.000 1.167 168 N CA -0.291 52.795 53.050 0.060 0.000 0.898 168 N CB -0.092 38.431 38.487 0.060 0.000 1.176 168 N HN 0.527 nan 8.380 nan 0.000 0.507 169 D N -1.120 119.298 120.400 0.031 0.000 2.340 169 D HA 0.115 4.754 4.640 -0.001 0.000 0.251 169 D C 1.241 177.545 176.300 0.008 0.000 1.080 169 D CA -0.589 53.416 54.000 0.009 0.000 0.971 169 D CB 1.243 42.040 40.800 -0.004 0.000 1.137 169 D HN -0.176 nan 8.370 nan 0.000 0.475 170 R N 1.078 121.575 120.500 -0.006 0.000 2.133 170 R HA -0.170 4.169 4.340 -0.001 0.000 0.247 170 R C 1.771 178.075 176.300 0.007 0.000 1.151 170 R CA 2.208 58.308 56.100 -0.001 0.000 0.971 170 R CB -0.994 29.297 30.300 -0.016 0.000 0.866 170 R HN 0.602 nan 8.270 nan 0.000 0.447 171 A N -0.305 122.506 122.820 -0.016 0.000 2.251 171 A HA 0.169 4.488 4.320 -0.001 0.000 0.209 171 A C -0.112 177.436 177.584 -0.060 0.000 1.187 171 A CA -0.005 52.015 52.037 -0.029 0.000 0.823 171 A CB 0.022 18.986 19.000 -0.061 0.000 0.846 171 A HN 0.280 nan 8.150 nan 0.000 0.486 172 R N 0.361 120.861 120.500 0.000 0.000 3.251 172 R HA -0.122 4.218 4.340 -0.001 0.000 0.249 172 R C -0.355 175.904 176.300 -0.069 0.000 0.949 172 R CA 0.903 57.019 56.100 0.027 0.000 0.645 172 R CB -2.986 27.401 30.300 0.145 0.000 1.065 172 R HN 0.553 nan 8.270 nan 0.000 0.452 173 S N 0.640 116.308 115.700 -0.054 0.000 2.573 173 S HA 0.301 4.771 4.470 -0.001 0.000 0.277 173 S C 1.096 175.658 174.600 -0.063 0.000 1.346 173 S CA -0.385 57.763 58.200 -0.087 0.000 1.034 173 S CB 1.098 64.343 63.200 0.076 0.000 0.879 173 S HN 0.274 nan 8.310 nan 0.000 0.528 174 L N 2.486 123.627 121.223 -0.137 0.000 2.287 174 L HA 0.515 4.854 4.340 -0.001 0.000 0.287 174 L C -0.831 176.073 176.870 0.056 0.000 1.022 174 L CA -0.826 54.008 54.840 -0.010 0.000 0.814 174 L CB 1.011 43.059 42.059 -0.018 0.000 1.217 174 L HN 0.311 nan 8.230 nan 0.000 0.420 175 V N 4.247 124.232 119.914 0.119 0.000 2.384 175 V HA 0.374 4.493 4.120 -0.001 0.000 0.287 175 V C 0.049 176.216 176.094 0.122 0.000 1.020 175 V CA -0.645 61.732 62.300 0.129 0.000 0.850 175 V CB 2.162 34.051 31.823 0.110 0.000 0.987 175 V HN 0.446 nan 8.190 nan 0.000 0.436 176 V N 7.689 127.656 119.914 0.089 0.000 2.334 176 V HA 0.373 4.493 4.120 -0.001 0.000 0.281 176 V C -2.053 174.007 176.094 -0.057 0.000 1.016 176 V CA -1.836 60.452 62.300 -0.021 0.000 0.832 176 V CB 1.884 33.543 31.823 -0.274 0.000 0.999 176 V HN 0.733 nan 8.190 nan 0.000 0.439 177 P HA 0.431 nan 4.420 nan 0.000 0.268 177 P C -0.537 176.632 177.300 -0.218 0.000 1.205 177 P CA 0.236 63.247 63.100 -0.148 0.000 0.771 177 P CB 1.704 33.348 31.700 -0.094 0.000 0.858 178 A N 2.912 125.472 122.820 -0.433 0.000 2.557 178 A HA 0.802 5.122 4.320 -0.001 0.000 0.292 178 A C -1.893 175.431 177.584 -0.433 0.000 1.139 178 A CA -0.585 51.142 52.037 -0.518 0.000 0.665 178 A CB 1.226 19.715 19.000 -0.851 0.000 1.285 178 A HN 0.637 nan 8.150 nan 0.000 0.433 179 Y N -2.579 117.584 120.300 -0.229 0.000 2.521 179 Y HA 0.822 5.371 4.550 -0.001 0.000 0.332 179 Y C -0.704 175.271 175.900 0.125 0.000 1.121 179 Y CA -0.832 57.286 58.100 0.031 0.000 1.037 179 Y CB 1.056 39.467 38.460 -0.082 0.000 1.330 179 Y HN 1.622 nan 8.280 nan 0.000 0.452 180 A N 2.738 125.599 122.820 0.068 0.000 2.398 180 A HA 0.635 4.955 4.320 -0.001 0.000 0.301 180 A C -2.198 175.176 177.584 -0.349 0.000 1.041 180 A CA -0.848 50.957 52.037 -0.387 0.000 0.711 180 A CB 0.665 18.737 19.000 -1.547 0.000 1.240 180 A HN 0.757 nan 8.150 nan 0.000 0.420 181 Y N 2.094 122.328 120.300 -0.110 0.000 2.637 181 Y HA 0.210 4.760 4.550 -0.001 0.000 0.350 181 Y C 1.040 176.903 175.900 -0.061 0.000 1.069 181 Y CA 0.849 58.927 58.100 -0.038 0.000 1.397 181 Y CB 0.304 38.799 38.460 0.058 0.000 1.163 181 Y HN 0.562 nan 8.280 nan 0.000 0.527 182 R N 3.552 124.022 120.500 -0.051 0.000 2.234 182 R HA 0.222 4.561 4.340 -0.001 0.000 0.324 182 R C -0.330 176.007 176.300 0.062 0.000 1.054 182 R CA -0.677 55.413 56.100 -0.016 0.000 0.912 182 R CB 0.666 30.814 30.300 -0.254 0.000 1.030 182 R HN 0.477 nan 8.270 nan 0.000 0.455 183 K N 3.958 124.426 120.400 0.114 0.000 2.278 183 K HA 0.069 4.388 4.320 -0.001 0.000 0.289 183 K C 0.462 177.100 176.600 0.063 0.000 1.080 183 K CA 0.140 56.477 56.287 0.083 0.000 0.934 183 K CB 0.487 33.032 32.500 0.075 0.000 1.093 183 K HN 0.520 nan 8.250 nan 0.000 0.459 184 L N 0.933 122.195 121.223 0.066 0.000 2.653 184 L HA 0.176 4.515 4.340 -0.001 0.000 0.230 184 L C 0.395 177.340 176.870 0.126 0.000 1.055 184 L CA -0.183 54.698 54.840 0.069 0.000 0.880 184 L CB 0.210 42.293 42.059 0.040 0.000 1.195 184 L HN 0.557 nan 8.230 nan 0.000 0.492 185 H N 0.277 119.352 119.070 0.009 0.000 2.572 185 H HA 0.349 4.904 4.556 -0.001 0.000 0.359 185 H C -2.180 173.154 175.328 0.009 0.000 1.134 185 H CA -1.866 54.187 56.048 0.007 0.000 1.187 185 H CB 2.138 31.903 29.762 0.005 0.000 1.597 185 H HN -0.274 nan 8.280 nan 0.000 0.524 186 P HA -0.075 nan 4.420 nan 0.000 0.221 186 P C 0.744 177.797 177.300 -0.411 0.000 1.150 186 P CA 0.878 63.747 63.100 -0.384 0.000 0.800 186 P CB 0.600 32.115 31.700 -0.307 0.000 0.787 187 I N -2.383 117.730 120.570 -0.761 0.000 2.962 187 I HA 0.066 4.236 4.170 -0.001 0.000 0.246 187 I C 1.057 177.190 176.117 0.027 0.000 1.091 187 I CA 0.571 61.721 61.300 -0.249 0.000 1.469 187 I CB -1.516 36.444 38.000 -0.066 0.000 1.324 187 I HN -0.046 nan 8.210 nan 0.000 0.461 188 Q N 2.566 122.595 119.800 0.382 0.000 2.432 188 Q HA 0.048 4.388 4.340 -0.001 0.000 0.264 188 Q C 0.278 176.362 176.000 0.140 0.000 1.035 188 Q CA 0.033 55.992 55.803 0.260 0.000 0.908 188 Q CB 0.448 29.336 28.738 0.250 0.000 1.280 188 Q HN 0.416 nan 8.270 nan 0.000 0.455 189 R N 0.996 121.548 120.500 0.086 0.000 2.537 189 R HA 0.322 4.661 4.340 -0.001 0.000 0.280 189 R C -2.205 174.149 176.300 0.090 0.000 1.058 189 R CA -1.315 54.826 56.100 0.068 0.000 1.057 189 R CB -0.708 29.621 30.300 0.048 0.000 0.973 189 R HN 0.178 nan 8.270 nan 0.000 0.438 190 P HA -0.019 nan 4.420 nan 0.000 0.265 190 P C -0.500 176.895 177.300 0.158 0.000 1.193 190 P CA 0.008 63.181 63.100 0.123 0.000 0.765 190 P CB 0.540 32.328 31.700 0.147 0.000 0.823 191 I N 5.030 125.637 120.570 0.063 0.000 2.385 191 I HA 0.437 4.606 4.170 -0.001 0.000 0.294 191 I C -2.384 173.642 176.117 -0.152 0.000 0.988 191 I CA -3.163 58.135 61.300 -0.003 0.000 1.265 191 I CB 2.073 40.056 38.000 -0.027 0.000 1.388 191 I HN 0.211 nan 8.210 nan 0.000 0.480 192 P HA 0.197 nan 4.420 nan 0.000 0.274 192 P C -1.318 175.788 177.300 -0.323 0.000 1.231 192 P CA -0.256 62.504 63.100 -0.567 0.000 0.790 192 P CB 1.230 32.348 31.700 -0.970 0.000 0.951 193 S N 0.229 115.771 115.700 -0.263 0.000 2.566 193 S HA 0.564 5.034 4.470 -0.001 0.000 0.273 193 S C -0.477 174.212 174.600 0.149 0.000 1.157 193 S CA -0.542 57.581 58.200 -0.128 0.000 0.938 193 S CB 1.553 64.573 63.200 -0.300 0.000 1.087 193 S HN 0.670 nan 8.310 nan 0.000 0.474 194 A N 2.455 125.361 122.820 0.144 0.000 2.332 194 A HA 0.911 5.230 4.320 -0.001 0.000 0.258 194 A C -0.340 177.447 177.584 0.339 0.000 1.087 194 A CA -0.124 52.013 52.037 0.166 0.000 0.802 194 A CB -0.176 18.789 19.000 -0.058 0.000 1.042 194 A HN 1.298 nan 8.150 nan 0.000 0.489 195 F N -1.629 118.290 119.950 -0.051 0.000 2.842 195 F HA 0.569 5.096 4.527 -0.001 0.000 0.319 195 F C -1.229 174.475 175.800 -0.159 0.000 1.159 195 F CA -1.437 56.505 58.000 -0.098 0.000 0.902 195 F CB 0.232 39.093 39.000 -0.231 0.000 1.311 195 F HN 0.566 nan 8.300 nan 0.000 0.453 196 C N 1.385 120.601 119.300 -0.138 0.000 2.529 196 C HA 0.731 5.190 4.460 -0.001 0.000 0.329 196 C C -0.776 174.085 174.990 -0.215 0.000 1.194 196 C CA -0.587 58.290 59.018 -0.235 0.000 1.779 196 C CB 1.266 29.049 27.740 0.072 0.000 2.322 196 C HN 0.626 nan 8.230 nan 0.000 0.500 197 F N 2.083 121.984 119.950 -0.082 0.000 2.394 197 F HA 0.655 5.182 4.527 -0.001 0.000 0.340 197 F C 0.274 176.184 175.800 0.183 0.000 1.105 197 F CA -0.277 57.760 58.000 0.062 0.000 1.124 197 F CB 0.635 39.528 39.000 -0.179 0.000 1.145 197 F HN 0.189 nan 8.300 nan 0.000 0.505 198 L N 2.562 124.006 121.223 0.368 0.000 2.365 198 L HA 0.613 4.952 4.340 -0.001 0.000 0.273 198 L C -0.380 176.293 176.870 -0.328 0.000 1.000 198 L CA -0.666 54.186 54.840 0.021 0.000 0.819 198 L CB 2.108 44.096 42.059 -0.119 0.000 1.284 198 L HN 0.536 nan 8.230 nan 0.000 0.418 199 S N 0.213 115.457 115.700 -0.760 0.000 2.614 199 S HA 0.459 4.929 4.470 -0.001 0.000 0.288 199 S C -0.271 173.804 174.600 -0.875 0.000 1.137 199 S CA -0.611 56.933 58.200 -1.092 0.000 0.992 199 S CB 0.778 62.877 63.200 -1.835 0.000 1.026 199 S HN 0.689 nan 8.310 nan 0.000 0.486 200 H N 3.118 121.962 119.070 -0.376 0.000 2.672 200 H HA 0.244 4.799 4.556 -0.001 0.000 0.277 200 H C -0.230 174.899 175.328 -0.332 0.000 1.074 200 H CA 0.007 55.871 56.048 -0.306 0.000 1.173 200 H CB 0.428 30.070 29.762 -0.200 0.000 1.558 200 H HN 0.715 nan 8.280 nan 0.000 0.539 201 D N -0.466 119.762 120.400 -0.288 0.000 2.623 201 D HA 0.011 4.650 4.640 -0.001 0.000 0.252 201 D C -0.143 176.096 176.300 -0.101 0.000 1.294 201 D CA -0.544 53.354 54.000 -0.171 0.000 0.824 201 D CB -0.346 40.402 40.800 -0.087 0.000 1.070 201 D HN 0.156 nan 8.370 nan 0.000 0.487 202 H N 0.159 119.143 119.070 -0.144 0.000 2.886 202 H HA -0.106 4.449 4.556 -0.001 0.000 0.294 202 H C 1.283 176.584 175.328 -0.045 0.000 1.246 202 H CA 0.978 56.981 56.048 -0.074 0.000 1.142 202 H CB -1.650 28.122 29.762 0.017 0.000 1.358 202 H HN 0.637 nan 8.280 nan 0.000 0.406 203 G N -0.536 108.114 108.800 -0.250 0.000 2.141 203 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.231 203 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.231 203 G C 1.241 176.171 174.900 0.050 0.000 0.984 203 G CA 0.581 45.603 45.100 -0.129 0.000 0.660 203 G HN 0.534 nan 8.290 nan 0.000 0.525 204 R N 0.131 120.581 120.500 -0.085 0.000 2.052 204 R HA 0.192 4.531 4.340 -0.001 0.000 0.226 204 R C 1.647 177.917 176.300 -0.050 0.000 1.145 204 R CA 1.698 57.799 56.100 0.002 0.000 0.952 204 R CB -0.252 30.046 30.300 -0.003 0.000 0.847 204 R HN 0.610 nan 8.270 nan 0.000 0.431 205 T N -2.529 111.881 114.554 -0.241 0.000 2.930 205 T HA 0.506 4.855 4.350 -0.001 0.000 0.290 205 T C -0.966 173.408 174.700 -0.543 0.000 1.052 205 T CA -0.887 61.099 62.100 -0.190 0.000 1.017 205 T CB 1.774 70.581 68.868 -0.100 0.000 1.137 205 T HN 0.159 nan 8.240 nan 0.000 0.511 206 W N -0.414 120.859 121.300 -0.044 0.000 2.992 206 W HA 0.790 5.449 4.660 -0.001 0.000 0.342 206 W C -0.454 176.062 176.519 -0.004 0.000 1.176 206 W CA -0.829 56.485 57.345 -0.052 0.000 1.118 206 W CB 2.197 31.619 29.460 -0.063 0.000 1.457 206 W HN 1.081 nan 8.180 nan 0.000 0.573 207 A N 0.894 123.898 122.820 0.307 0.000 2.594 207 A HA 0.823 5.142 4.320 -0.001 0.000 0.295 207 A C -1.491 176.250 177.584 0.262 0.000 1.071 207 A CA -1.164 50.994 52.037 0.202 0.000 0.685 207 A CB 1.446 20.487 19.000 0.069 0.000 1.285 207 A HN 0.654 nan 8.150 nan 0.000 0.405 208 R N 1.070 121.669 120.500 0.166 0.000 2.229 208 R HA 0.492 4.831 4.340 -0.001 0.000 0.332 208 R C 0.645 176.914 176.300 -0.052 0.000 0.989 208 R CA -0.070 56.076 56.100 0.076 0.000 0.842 208 R CB 1.596 31.899 30.300 0.005 0.000 1.119 208 R HN 0.885 nan 8.270 nan 0.000 0.456 209 G N 1.860 110.638 108.800 -0.038 0.000 2.636 209 G HA2 0.043 4.002 3.960 -0.001 0.000 0.246 209 G HA3 0.043 4.002 3.960 -0.001 0.000 0.246 209 G C -0.191 174.594 174.900 -0.192 0.000 1.216 209 G CA -0.526 44.482 45.100 -0.154 0.000 0.854 209 G HN 0.528 nan 8.290 nan 0.000 0.572 210 H N -0.387 118.615 119.070 -0.115 0.000 2.745 210 H HA 0.189 4.745 4.556 -0.001 0.000 0.373 210 H C 0.085 175.352 175.328 -0.100 0.000 1.226 210 H CA -0.429 55.502 56.048 -0.195 0.000 1.435 210 H CB 0.224 29.955 29.762 -0.052 0.000 1.461 210 H HN 0.227 nan 8.280 nan 0.000 0.616 211 F N 0.186 120.275 119.950 0.231 0.000 2.450 211 F HA 0.111 4.637 4.527 -0.001 0.000 0.339 211 F C 1.320 177.226 175.800 0.177 0.000 1.146 211 F CA -0.396 57.700 58.000 0.161 0.000 1.267 211 F CB 0.245 39.266 39.000 0.035 0.000 1.178 211 F HN 0.289 nan 8.300 nan 0.000 0.585 212 V N 0.182 120.292 119.914 0.327 0.000 3.871 212 V HA 0.792 4.911 4.120 -0.001 0.000 0.274 212 V C 0.503 176.660 176.094 0.105 0.000 1.104 212 V CA -1.077 61.327 62.300 0.173 0.000 0.852 212 V CB -0.220 31.588 31.823 -0.025 0.000 1.222 212 V HN 0.911 nan 8.190 nan 0.000 0.420 213 A N 0.049 122.887 122.820 0.030 0.000 2.540 213 A HA 0.192 4.511 4.320 -0.001 0.000 0.239 213 A C 0.494 178.060 177.584 -0.030 0.000 1.061 213 A CA 0.021 52.054 52.037 -0.006 0.000 0.758 213 A CB -0.663 18.311 19.000 -0.043 0.000 0.991 213 A HN 0.806 nan 8.150 nan 0.000 0.502 214 Q N 0.600 120.379 119.800 -0.034 0.000 2.432 214 Q HA 0.069 4.408 4.340 -0.001 0.000 0.264 214 Q C -0.556 175.401 176.000 -0.072 0.000 1.035 214 Q CA 0.457 56.225 55.803 -0.059 0.000 0.908 214 Q CB 0.264 28.974 28.738 -0.046 0.000 1.280 214 Q HN 0.763 nan 8.270 nan 0.000 0.455 215 D N 1.165 121.518 120.400 -0.079 0.000 2.760 215 D HA -0.113 4.526 4.640 -0.001 0.000 0.244 215 D C -1.002 175.228 176.300 -0.116 0.000 1.123 215 D CA 1.257 55.225 54.000 -0.053 0.000 0.719 215 D CB -1.027 39.796 40.800 0.038 0.000 1.045 215 D HN 0.666 nan 8.370 nan 0.000 0.426 216 T N -1.859 112.604 114.554 -0.152 0.000 2.886 216 T HA 0.705 5.055 4.350 -0.001 0.000 0.292 216 T C 0.380 174.927 174.700 -0.256 0.000 1.012 216 T CA -0.999 60.995 62.100 -0.177 0.000 0.982 216 T CB 2.496 71.280 68.868 -0.139 0.000 1.018 216 T HN -0.050 nan 8.240 nan 0.000 0.451 217 L N 0.772 121.796 121.223 -0.332 0.000 2.731 217 L HA 0.552 4.891 4.340 -0.001 0.000 0.199 217 L C 0.720 177.266 176.870 -0.540 0.000 1.976 217 L CA -0.682 53.765 54.840 -0.656 0.000 2.802 217 L CB -0.604 41.105 42.059 -0.584 0.000 2.882 217 L HN 0.760 nan 8.230 nan 0.000 0.651 218 E N 0.063 119.943 120.200 -0.533 0.000 2.502 218 E HA 0.239 4.588 4.350 -0.001 0.000 0.261 218 E C -0.597 175.952 176.600 -0.085 0.000 0.974 218 E CA 0.206 56.543 56.400 -0.106 0.000 0.936 218 E CB 0.239 29.905 29.700 -0.057 0.000 0.926 218 E HN 0.558 nan 8.360 nan 0.000 0.459 219 C N 1.046 120.330 119.300 -0.025 0.000 3.291 219 C HA 0.632 5.091 4.460 -0.001 0.000 0.316 219 C C -0.957 174.003 174.990 -0.049 0.000 1.391 219 C CA -0.869 58.108 59.018 -0.068 0.000 1.394 219 C CB 1.314 28.976 27.740 -0.129 0.000 1.744 219 C HN 0.778 nan 8.230 nan 0.000 0.461 220 Q N 0.373 120.147 119.800 -0.044 0.000 2.456 220 Q HA 0.787 5.126 4.340 -0.001 0.000 0.283 220 Q C -1.035 174.955 176.000 -0.016 0.000 1.084 220 Q CA -0.733 55.048 55.803 -0.036 0.000 0.801 220 Q CB 2.747 31.491 28.738 0.010 0.000 1.434 220 Q HN 1.032 nan 8.270 nan 0.000 0.419 221 V N -2.037 117.879 119.914 0.003 0.000 2.823 221 V HA 1.044 5.164 4.120 -0.001 0.000 0.312 221 V C -1.008 175.167 176.094 0.135 0.000 1.072 221 V CA -0.717 61.628 62.300 0.075 0.000 0.937 221 V CB 1.455 33.340 31.823 0.104 0.000 1.013 221 V HN 0.854 nan 8.190 nan 0.000 0.430 222 A N 2.307 125.232 122.820 0.174 0.000 2.479 222 A HA 0.874 5.194 4.320 -0.001 0.000 0.296 222 A C -0.749 176.936 177.584 0.169 0.000 1.121 222 A CA -0.697 51.460 52.037 0.201 0.000 0.743 222 A CB 1.978 21.117 19.000 0.232 0.000 1.323 222 A HN 1.065 nan 8.150 nan 0.000 0.415 223 E N 0.484 120.777 120.200 0.155 0.000 2.199 223 E HA 0.617 4.966 4.350 -0.001 0.000 0.269 223 E C -1.836 174.821 176.600 0.095 0.000 0.899 223 E CA -0.481 55.989 56.400 0.117 0.000 0.772 223 E CB 1.779 31.545 29.700 0.110 0.000 1.155 223 E HN 0.383 nan 8.360 nan 0.000 0.408 224 V N 4.102 124.057 119.914 0.068 0.000 2.525 224 V HA 0.182 4.301 4.120 -0.001 0.000 0.299 224 V C -0.509 175.600 176.094 0.025 0.000 1.034 224 V CA -0.788 61.536 62.300 0.041 0.000 0.863 224 V CB 1.695 33.535 31.823 0.029 0.000 0.999 224 V HN 0.753 nan 8.190 nan 0.000 0.423 225 E N 3.261 123.471 120.200 0.016 0.000 2.129 225 E HA 0.320 4.670 4.350 -0.001 0.000 0.283 225 E C -0.123 176.477 176.600 0.000 0.000 1.080 225 E CA -0.269 56.135 56.400 0.007 0.000 0.867 225 E CB 0.780 30.482 29.700 0.004 0.000 1.056 225 E HN 0.807 nan 8.360 nan 0.000 0.404 226 T N 2.307 116.861 114.554 -0.001 0.000 2.947 226 T HA 0.484 4.833 4.350 -0.001 0.000 0.337 226 T C 1.010 175.706 174.700 -0.007 0.000 1.139 226 T CA -0.091 62.005 62.100 -0.005 0.000 0.992 226 T CB 1.090 69.953 68.868 -0.009 0.000 1.043 226 T HN 0.639 nan 8.240 nan 0.000 0.498 227 G N 4.431 113.227 108.800 -0.007 0.000 4.011 227 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.348 227 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.348 227 G C 0.618 175.513 174.900 -0.007 0.000 1.310 227 G CA 0.812 45.907 45.100 -0.007 0.000 1.056 227 G HN 0.690 nan 8.290 nan 0.000 0.728 228 E N 1.994 122.189 120.200 -0.008 0.000 2.499 228 E HA 0.438 4.787 4.350 -0.001 0.000 0.199 228 E C 0.577 177.172 176.600 -0.009 0.000 1.016 228 E CA 0.810 57.205 56.400 -0.008 0.000 0.933 228 E CB 0.457 30.151 29.700 -0.009 0.000 1.050 228 E HN 0.860 nan 8.360 nan 0.000 0.462 229 Q N -1.523 118.272 119.800 -0.007 0.000 2.776 229 Q HA 0.360 4.699 4.340 -0.001 0.000 0.289 229 Q C -1.260 174.738 176.000 -0.003 0.000 0.912 229 Q CA -1.075 54.723 55.803 -0.007 0.000 0.789 229 Q CB 0.984 29.716 28.738 -0.011 0.000 1.498 229 Q HN -0.098 nan 8.270 nan 0.000 0.408 230 R N 0.610 121.110 120.500 -0.001 0.000 2.407 230 R HA 0.749 5.089 4.340 -0.001 0.000 0.303 230 R C -0.316 175.988 176.300 0.006 0.000 0.981 230 R CA -0.608 55.497 56.100 0.008 0.000 0.905 230 R CB 2.009 32.317 30.300 0.013 0.000 1.099 230 R HN 0.589 nan 8.270 nan 0.000 0.459 231 V N -0.954 118.971 119.914 0.019 0.000 3.102 231 V HA 0.659 4.779 4.120 -0.001 0.000 0.312 231 V C -0.709 175.419 176.094 0.057 0.000 1.135 231 V CA -0.870 61.443 62.300 0.023 0.000 1.022 231 V CB 2.401 34.239 31.823 0.025 0.000 1.056 231 V HN 0.421 nan 8.190 nan 0.000 0.436 232 V N 2.150 122.112 119.914 0.080 0.000 2.350 232 V HA 0.477 4.596 4.120 -0.001 0.000 0.285 232 V C 0.412 176.652 176.094 0.243 0.000 1.014 232 V CA 0.047 62.441 62.300 0.157 0.000 0.831 232 V CB 1.198 33.129 31.823 0.178 0.000 1.000 232 V HN 1.138 nan 8.190 nan 0.000 0.433 233 T N 5.762 120.433 114.554 0.195 0.000 2.889 233 T HA 0.615 4.965 4.350 -0.001 0.000 0.291 233 T C -0.666 174.131 174.700 0.161 0.000 0.995 233 T CA -0.156 62.055 62.100 0.185 0.000 1.092 233 T CB 0.673 69.632 68.868 0.151 0.000 0.954 233 T HN 0.546 nan 8.240 nan 0.000 0.506 234 L N 5.664 126.927 121.223 0.067 0.000 2.349 234 L HA 0.570 4.909 4.340 -0.001 0.000 0.278 234 L C -0.515 176.284 176.870 -0.119 0.000 0.996 234 L CA -0.726 54.047 54.840 -0.111 0.000 0.825 234 L CB 1.317 43.074 42.059 -0.504 0.000 1.243 234 L HN 0.525 nan 8.230 nan 0.000 0.412 235 N N 4.384 123.023 118.700 -0.101 0.000 2.469 235 N HA 0.606 5.346 4.740 -0.001 0.000 0.253 235 N C -1.201 174.210 175.510 -0.164 0.000 0.970 235 N CA -0.088 52.862 53.050 -0.165 0.000 0.940 235 N CB 1.857 40.246 38.487 -0.164 0.000 1.128 235 N HN 0.755 nan 8.380 nan 0.000 0.503 236 A N 3.353 126.051 122.820 -0.204 0.000 2.356 236 A HA 0.514 4.833 4.320 -0.001 0.000 0.323 236 A C -0.081 177.388 177.584 -0.192 0.000 1.119 236 A CA -0.845 51.082 52.037 -0.184 0.000 0.790 236 A CB 1.352 20.237 19.000 -0.191 0.000 1.273 236 A HN 0.747 nan 8.150 nan 0.000 0.452 237 R N 0.903 121.302 120.500 -0.169 0.000 2.390 237 R HA 0.532 4.871 4.340 -0.001 0.000 0.291 237 R C -0.178 176.023 176.300 -0.165 0.000 1.070 237 R CA 0.605 56.616 56.100 -0.149 0.000 1.014 237 R CB 0.610 30.833 30.300 -0.128 0.000 1.007 237 R HN 0.960 nan 8.270 nan 0.000 0.466 238 S N 1.523 117.135 115.700 -0.147 0.000 2.697 238 S HA 0.208 4.677 4.470 -0.001 0.000 0.289 238 S C -0.165 174.374 174.600 -0.102 0.000 1.149 238 S CA -0.804 57.297 58.200 -0.165 0.000 0.850 238 S CB 1.152 64.205 63.200 -0.246 0.000 1.151 238 S HN 0.919 nan 8.310 nan 0.000 0.491 239 H N -0.498 118.526 119.070 -0.076 0.000 2.505 239 H HA 0.529 5.085 4.556 -0.001 0.000 0.289 239 H C 0.262 175.562 175.328 -0.047 0.000 1.052 239 H CA -0.289 55.731 56.048 -0.047 0.000 1.156 239 H CB -0.577 29.166 29.762 -0.032 0.000 1.507 239 H HN 0.401 nan 8.280 nan 0.000 0.548 240 L N 0.941 121.959 121.223 -0.342 0.000 2.783 240 L HA 0.300 4.639 4.340 -0.001 0.000 0.236 240 L C 0.342 177.122 176.870 -0.150 0.000 1.225 240 L CA -0.400 54.285 54.840 -0.258 0.000 1.026 240 L CB 0.041 41.904 42.059 -0.326 0.000 1.314 240 L HN 0.204 nan 8.230 nan 0.000 0.489 241 R N -1.169 119.266 120.500 -0.108 0.000 3.863 241 R HA -0.190 4.149 4.340 -0.001 0.000 0.313 241 R C -0.074 176.144 176.300 -0.137 0.000 1.202 241 R CA 0.860 56.896 56.100 -0.107 0.000 0.852 241 R CB -2.533 27.702 30.300 -0.108 0.000 1.292 241 R HN 0.451 nan 8.270 nan 0.000 0.519 242 A N -0.170 122.551 122.820 -0.165 0.000 2.599 242 A HA 0.686 5.005 4.320 -0.001 0.000 0.294 242 A C -0.403 177.029 177.584 -0.253 0.000 1.055 242 A CA -0.966 50.946 52.037 -0.209 0.000 0.683 242 A CB 1.310 20.196 19.000 -0.189 0.000 1.278 242 A HN 0.043 nan 8.150 nan 0.000 0.412 243 R N 0.084 120.379 120.500 -0.341 0.000 2.641 243 R HA 0.444 4.783 4.340 -0.001 0.000 0.269 243 R C -0.533 175.581 176.300 -0.309 0.000 1.074 243 R CA -0.284 55.592 56.100 -0.375 0.000 1.133 243 R CB 0.582 30.539 30.300 -0.573 0.000 1.029 243 R HN 0.482 nan 8.270 nan 0.000 0.488 244 V N 2.738 122.491 119.914 -0.268 0.000 2.357 244 V HA 0.242 4.361 4.120 -0.001 0.000 0.284 244 V C 0.231 176.204 176.094 -0.201 0.000 1.018 244 V CA -0.553 61.621 62.300 -0.210 0.000 0.841 244 V CB 1.350 33.065 31.823 -0.181 0.000 0.991 244 V HN 0.571 nan 8.190 nan 0.000 0.437 245 Q N 2.852 122.556 119.800 -0.160 0.000 2.274 245 Q HA 0.823 5.162 4.340 -0.001 0.000 0.260 245 Q C -0.697 175.277 176.000 -0.043 0.000 0.974 245 Q CA -0.480 55.258 55.803 -0.108 0.000 0.876 245 Q CB 2.164 30.864 28.738 -0.063 0.000 1.297 245 Q HN 0.912 nan 8.270 nan 0.000 0.446 246 A N 3.004 125.816 122.820 -0.013 0.000 2.515 246 A HA 0.571 4.891 4.320 -0.001 0.000 0.296 246 A C -1.726 175.980 177.584 0.202 0.000 1.094 246 A CA -0.634 51.452 52.037 0.082 0.000 0.718 246 A CB 2.218 21.255 19.000 0.062 0.000 1.307 246 A HN 0.693 nan 8.150 nan 0.000 0.408 247 Q N 0.440 120.391 119.800 0.252 0.000 2.337 247 Q HA 0.602 4.942 4.340 -0.001 0.000 0.270 247 Q C -1.320 174.776 176.000 0.159 0.000 1.043 247 Q CA -0.354 55.577 55.803 0.214 0.000 0.794 247 Q CB 1.879 30.679 28.738 0.104 0.000 1.281 247 Q HN 0.811 nan 8.270 nan 0.000 0.446 248 S N 1.488 117.215 115.700 0.045 0.000 2.478 248 S HA 0.363 4.832 4.470 -0.001 0.000 0.312 248 S C 0.316 174.838 174.600 -0.130 0.000 1.094 248 S CA -0.206 57.853 58.200 -0.236 0.000 1.081 248 S CB 1.185 63.929 63.200 -0.761 0.000 1.007 248 S HN 0.739 nan 8.310 nan 0.000 0.475 249 T N 0.858 115.343 114.554 -0.115 0.000 3.105 249 T HA 0.173 4.522 4.350 -0.001 0.000 0.253 249 T C 0.426 175.074 174.700 -0.087 0.000 1.047 249 T CA -0.253 61.803 62.100 -0.073 0.000 0.944 249 T CB -0.456 68.384 68.868 -0.046 0.000 1.016 249 T HN 0.626 nan 8.240 nan 0.000 0.544 250 N N 1.043 119.664 118.700 -0.133 0.000 2.480 250 N HA 0.138 4.877 4.740 -0.001 0.000 0.281 250 N C -0.874 174.557 175.510 -0.131 0.000 1.381 250 N CA -0.406 52.571 53.050 -0.122 0.000 0.903 250 N CB -0.105 38.310 38.487 -0.120 0.000 1.274 250 N HN 0.077 nan 8.380 nan 0.000 0.505 251 D N 0.214 120.547 120.400 -0.112 0.000 2.772 251 D HA -0.146 4.493 4.640 -0.001 0.000 0.233 251 D C 1.081 177.328 176.300 -0.087 0.000 1.143 251 D CA 1.704 55.664 54.000 -0.066 0.000 0.700 251 D CB -1.465 39.326 40.800 -0.015 0.000 1.076 251 D HN 0.746 nan 8.370 nan 0.000 0.430 252 G N -1.182 107.468 108.800 -0.249 0.000 2.213 252 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.236 252 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.236 252 G C 0.902 175.590 174.900 -0.353 0.000 0.991 252 G CA 0.486 45.401 45.100 -0.307 0.000 0.629 252 G HN 0.450 nan 8.290 nan 0.000 0.517 253 L N 0.988 122.024 121.223 -0.313 0.000 2.056 253 L HA 0.321 4.660 4.340 -0.001 0.000 0.207 253 L C 0.547 177.164 176.870 -0.421 0.000 1.078 253 L CA 2.121 56.748 54.840 -0.356 0.000 0.749 253 L CB -0.035 41.860 42.059 -0.274 0.000 0.901 253 L HN 0.343 nan 8.230 nan 0.000 0.433 254 D N -2.081 118.093 120.400 -0.377 0.000 2.671 254 D HA 0.312 4.951 4.640 -0.001 0.000 0.232 254 D C -1.407 174.633 176.300 -0.435 0.000 1.114 254 D CA -0.298 53.578 54.000 -0.207 0.000 0.858 254 D CB 1.867 42.648 40.800 -0.031 0.000 1.544 254 D HN -0.189 nan 8.370 nan 0.000 0.471 255 F N 1.223 121.208 119.950 0.059 0.000 2.507 255 F HA 0.267 4.793 4.527 -0.001 0.000 0.325 255 F C 1.252 177.080 175.800 0.045 0.000 1.116 255 F CA -0.302 57.724 58.000 0.045 0.000 0.930 255 F CB 2.204 41.233 39.000 0.048 0.000 1.146 255 F HN 0.212 nan 8.300 nan 0.000 0.447 256 Q N 0.960 120.873 119.800 0.188 0.000 2.435 256 Q HA 0.089 4.428 4.340 -0.001 0.000 0.180 256 Q C 1.091 177.146 176.000 0.091 0.000 0.699 256 Q CA -0.347 55.523 55.803 0.112 0.000 0.805 256 Q CB 0.134 28.909 28.738 0.061 0.000 1.157 256 Q HN 0.390 nan 8.270 nan 0.000 0.570 257 E N 2.105 122.351 120.200 0.076 0.000 2.483 257 E HA -0.102 4.247 4.350 -0.001 0.000 0.205 257 E C -0.012 176.612 176.600 0.041 0.000 1.075 257 E CA 0.716 57.146 56.400 0.050 0.000 0.889 257 E CB -0.744 28.983 29.700 0.045 0.000 0.816 257 E HN 0.359 nan 8.360 nan 0.000 0.567 258 S N 1.391 117.124 115.700 0.054 0.000 2.953 258 S HA -0.092 4.377 4.470 -0.001 0.000 0.348 258 S C 0.261 174.853 174.600 -0.012 0.000 1.215 258 S CA 0.261 58.470 58.200 0.016 0.000 1.019 258 S CB 0.012 63.224 63.200 0.020 0.000 0.726 258 S HN 0.302 nan 8.310 nan 0.000 0.503 259 Q N 1.898 121.674 119.800 -0.040 0.000 2.633 259 Q HA 0.561 4.901 4.340 -0.001 0.000 0.289 259 Q C -1.621 174.325 176.000 -0.090 0.000 0.940 259 Q CA -1.198 54.572 55.803 -0.054 0.000 0.785 259 Q CB 0.846 29.563 28.738 -0.035 0.000 1.467 259 Q HN 0.615 nan 8.270 nan 0.000 0.401 260 L N 1.535 122.698 121.223 -0.100 0.000 2.281 260 L HA 0.404 4.744 4.340 -0.001 0.000 0.285 260 L C -0.656 176.134 176.870 -0.132 0.000 1.074 260 L CA -0.978 53.781 54.840 -0.135 0.000 0.817 260 L CB 1.393 43.373 42.059 -0.131 0.000 1.168 260 L HN 0.453 nan 8.230 nan 0.000 0.434 261 V N 5.030 124.833 119.914 -0.185 0.000 2.304 261 V HA 0.105 4.224 4.120 -0.001 0.000 0.262 261 V C 1.122 177.093 176.094 -0.205 0.000 1.061 261 V CA -0.395 61.794 62.300 -0.184 0.000 0.872 261 V CB 0.742 32.394 31.823 -0.284 0.000 1.077 261 V HN 0.742 nan 8.190 nan 0.000 0.480 262 K N 2.687 123.007 120.400 -0.133 0.000 2.147 262 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 262 K C 1.782 178.316 176.600 -0.111 0.000 1.049 262 K CA 1.180 57.395 56.287 -0.119 0.000 0.936 262 K CB 0.037 32.491 32.500 -0.078 0.000 0.722 262 K HN 0.531 nan 8.250 nan 0.000 0.446 263 K N 0.566 120.912 120.400 -0.090 0.000 2.280 263 K HA -0.061 4.259 4.320 -0.001 0.000 0.202 263 K C 0.359 176.905 176.600 -0.090 0.000 1.047 263 K CA 0.665 56.934 56.287 -0.032 0.000 0.942 263 K CB -0.023 32.504 32.500 0.044 0.000 0.739 263 K HN 0.132 nan 8.250 nan 0.000 0.457 264 L N 2.062 123.101 121.223 -0.307 0.000 2.314 264 L HA 0.221 4.560 4.340 -0.001 0.000 0.275 264 L C 0.013 176.678 176.870 -0.342 0.000 1.068 264 L CA -0.643 53.889 54.840 -0.514 0.000 0.894 264 L CB 1.000 42.489 42.059 -0.950 0.000 1.275 264 L HN -0.150 nan 8.230 nan 0.000 0.432 265 V N 3.298 123.115 119.914 -0.161 0.000 3.185 265 V HA 0.248 4.367 4.120 -0.001 0.000 0.305 265 V C 0.191 176.233 176.094 -0.088 0.000 1.090 265 V CA 0.045 62.280 62.300 -0.109 0.000 1.107 265 V CB 1.553 33.352 31.823 -0.040 0.000 1.061 265 V HN 0.677 nan 8.190 nan 0.000 0.480 266 E N 4.051 124.223 120.200 -0.048 0.000 2.308 266 E HA 0.451 4.800 4.350 -0.001 0.000 0.275 266 E C -2.777 173.836 176.600 0.021 0.000 0.890 266 E CA -1.590 54.836 56.400 0.043 0.000 0.754 266 E CB 2.420 32.097 29.700 -0.038 0.000 1.207 266 E HN 0.513 nan 8.360 nan 0.000 0.426 267 P HA 0.341 nan 4.420 nan 0.000 0.286 267 P C -2.681 174.650 177.300 0.051 0.000 1.261 267 P CA -1.660 61.466 63.100 0.043 0.000 0.821 267 P CB 1.261 33.006 31.700 0.076 0.000 1.013 268 P HA 0.259 nan 4.420 nan 0.000 0.281 268 P C -1.624 175.734 177.300 0.096 0.000 1.264 268 P CA -1.644 61.504 63.100 0.079 0.000 0.824 268 P CB 0.238 31.993 31.700 0.093 0.000 1.092 269 P HA -0.077 nan 4.420 nan 0.000 0.216 269 P C 0.490 177.841 177.300 0.085 0.000 1.153 269 P CA 1.605 64.750 63.100 0.075 0.000 0.844 269 P CB 0.326 32.059 31.700 0.055 0.000 0.787 270 Q N -0.371 119.479 119.800 0.083 0.000 2.506 270 Q HA 0.512 4.852 4.340 -0.001 0.000 0.380 270 Q C 0.472 176.519 176.000 0.078 0.000 0.867 270 Q CA -0.310 55.554 55.803 0.102 0.000 1.093 270 Q CB 0.459 29.248 28.738 0.085 0.000 1.388 270 Q HN 0.155 nan 8.270 nan 0.000 0.400 271 G N 0.657 109.502 108.800 0.075 0.000 2.641 271 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.254 271 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.254 271 G C -0.408 174.548 174.900 0.094 0.000 1.315 271 G CA -0.200 44.949 45.100 0.082 0.000 0.907 271 G HN 1.046 nan 8.290 nan 0.000 0.572 272 C N -0.890 118.477 119.300 0.111 0.000 3.241 272 C HA 0.631 5.091 4.460 -0.001 0.000 0.348 272 C C 0.187 175.133 174.990 -0.073 0.000 1.180 272 C CA 0.060 59.097 59.018 0.032 0.000 1.273 272 C CB 1.194 28.913 27.740 -0.035 0.000 1.620 272 C HN 1.212 nan 8.230 nan 0.000 0.510 273 Q N 2.053 121.590 119.800 -0.439 0.000 2.428 273 Q HA 0.457 4.797 4.340 -0.001 0.000 0.276 273 Q C 0.122 176.002 176.000 -0.200 0.000 1.059 273 Q CA 1.332 56.802 55.803 -0.554 0.000 0.923 273 Q CB 1.135 28.992 28.738 -1.468 0.000 1.283 273 Q HN 1.125 nan 8.270 nan 0.000 0.447 274 G N 1.002 109.809 108.800 0.011 0.000 2.694 274 G HA2 0.469 4.429 3.960 -0.001 0.000 0.290 274 G HA3 0.469 4.429 3.960 -0.001 0.000 0.290 274 G C -1.646 173.318 174.900 0.107 0.000 1.386 274 G CA -0.366 44.803 45.100 0.115 0.000 0.872 274 G HN 0.546 nan 8.290 nan 0.000 0.475 275 S N -1.676 114.072 115.700 0.080 0.000 2.648 275 S HA 0.820 5.289 4.470 -0.001 0.000 0.305 275 S C -1.291 173.514 174.600 0.341 0.000 1.094 275 S CA -0.654 57.680 58.200 0.224 0.000 0.983 275 S CB 1.865 65.216 63.200 0.252 0.000 1.101 275 S HN 1.408 nan 8.310 nan 0.000 0.514 276 V N 4.720 124.873 119.914 0.399 0.000 2.891 276 V HA 0.672 4.792 4.120 -0.001 0.000 0.304 276 V C -1.277 175.083 176.094 0.444 0.000 1.171 276 V CA -0.620 61.945 62.300 0.441 0.000 0.943 276 V CB 1.551 33.612 31.823 0.397 0.000 1.037 276 V HN 0.913 nan 8.190 nan 0.000 0.427 277 I N 2.411 123.245 120.570 0.439 0.000 3.174 277 I HA 0.813 4.983 4.170 -0.001 0.000 0.313 277 I C -0.736 175.634 176.117 0.422 0.000 1.155 277 I CA -0.715 60.846 61.300 0.435 0.000 0.977 277 I CB 2.322 40.569 38.000 0.413 0.000 1.248 277 I HN 0.545 nan 8.210 nan 0.000 0.453 278 S N 1.976 117.903 115.700 0.379 0.000 2.473 278 S HA 0.810 5.280 4.470 -0.001 0.000 0.307 278 S C -0.938 173.880 174.600 0.363 0.000 1.094 278 S CA -0.534 57.840 58.200 0.290 0.000 1.070 278 S CB 0.784 64.100 63.200 0.193 0.000 1.019 278 S HN 0.557 nan 8.310 nan 0.000 0.480 279 F N 2.434 122.528 119.950 0.241 0.000 2.603 279 F HA 0.809 5.335 4.527 -0.001 0.000 0.317 279 F C -3.159 172.676 175.800 0.057 0.000 1.066 279 F CA -2.923 55.185 58.000 0.180 0.000 0.941 279 F CB 0.308 39.496 39.000 0.312 0.000 1.291 279 F HN 0.263 nan 8.300 nan 0.000 0.472 280 P HA 0.038 nan 4.420 nan 0.000 0.264 280 P C -0.393 176.714 177.300 -0.322 0.000 1.193 280 P CA 0.186 63.222 63.100 -0.106 0.000 0.763 280 P CB 0.901 32.588 31.700 -0.022 0.000 0.810 281 S N 4.629 119.985 115.700 -0.573 0.000 2.533 281 S HA 0.138 4.607 4.470 -0.001 0.000 0.282 281 S C -1.237 172.927 174.600 -0.726 0.000 1.304 281 S CA -1.051 56.520 58.200 -1.048 0.000 1.063 281 S CB -0.155 62.513 63.200 -0.887 0.000 0.881 281 S HN 0.272 nan 8.310 nan 0.000 0.493 282 P HA -0.015 nan 4.420 nan 0.000 0.220 282 P C 0.027 177.054 177.300 -0.455 0.000 1.148 282 P CA 0.971 63.689 63.100 -0.636 0.000 0.803 282 P CB 0.128 31.280 31.700 -0.912 0.000 0.782 289 P HA 0.651 nan 4.420 nan 0.000 0.287 289 P C 0.273 177.577 177.300 0.008 0.000 1.294 289 P CA 0.061 63.222 63.100 0.102 0.000 0.776 289 P CB 1.558 33.463 31.700 0.341 0.000 0.889 290 A N 3.912 126.720 122.820 -0.019 0.000 1.930 290 A HA -0.010 4.309 4.320 -0.001 0.000 0.215 290 A C 0.789 178.297 177.584 -0.126 0.000 1.176 290 A CA 1.138 53.136 52.037 -0.065 0.000 0.632 290 A CB -0.204 18.775 19.000 -0.035 0.000 0.819 290 A HN 0.647 nan 8.150 nan 0.000 0.445 291 Q N -2.536 117.206 119.800 -0.096 0.000 2.416 291 Q HA 0.512 4.851 4.340 -0.001 0.000 0.281 291 Q C -1.575 174.382 176.000 -0.071 0.000 1.067 291 Q CA -0.460 55.235 55.803 -0.179 0.000 0.809 291 Q CB 1.778 30.462 28.738 -0.090 0.000 1.418 291 Q HN 0.511 nan 8.270 nan 0.000 0.411 292 W N 1.395 122.309 121.300 -0.644 0.000 2.655 292 W HA 0.674 5.333 4.660 -0.001 0.000 0.358 292 W C -0.766 175.443 176.519 -0.516 0.000 1.100 292 W CA -0.861 56.093 57.345 -0.652 0.000 1.195 292 W CB 0.639 29.597 29.460 -0.837 0.000 1.403 292 W HN 0.470 nan 8.180 nan 0.000 0.589 293 L N 2.234 123.444 121.223 -0.022 0.000 2.334 293 L HA 0.650 4.990 4.340 -0.001 0.000 0.270 293 L C -0.890 176.223 176.870 0.404 0.000 1.018 293 L CA -1.290 53.654 54.840 0.174 0.000 0.811 293 L CB 1.452 43.545 42.059 0.058 0.000 1.271 293 L HN 0.089 nan 8.230 nan 0.000 0.443 294 L N 2.114 123.659 121.223 0.537 0.000 2.431 294 L HA 0.523 4.862 4.340 -0.001 0.000 0.266 294 L C -1.562 175.633 176.870 0.543 0.000 0.978 294 L CA -0.309 54.819 54.840 0.481 0.000 0.822 294 L CB 1.893 44.016 42.059 0.108 0.000 1.310 294 L HN 0.437 nan 8.230 nan 0.000 0.409 295 Y N 2.952 123.503 120.300 0.419 0.000 2.421 295 Y HA 0.728 5.278 4.550 -0.001 0.000 0.339 295 Y C -0.935 175.144 175.900 0.298 0.000 0.996 295 Y CA -0.411 57.849 58.100 0.266 0.000 1.046 295 Y CB 1.969 40.430 38.460 0.002 0.000 1.226 295 Y HN 0.748 nan 8.280 nan 0.000 0.445 296 T N 3.693 118.038 114.554 -0.347 0.000 2.856 296 T HA 0.607 4.957 4.350 -0.001 0.000 0.283 296 T C -1.369 173.034 174.700 -0.495 0.000 1.008 296 T CA -0.450 61.484 62.100 -0.276 0.000 0.997 296 T CB 1.673 70.529 68.868 -0.020 0.000 0.992 296 T HN 0.968 nan 8.240 nan 0.000 0.454 297 H N 1.315 120.138 119.070 -0.411 0.000 2.988 297 H HA 0.266 4.822 4.556 -0.001 0.000 0.284 297 H C -3.413 171.869 175.328 -0.077 0.000 1.284 297 H CA -0.912 54.968 56.048 -0.279 0.000 1.431 297 H CB 1.531 31.037 29.762 -0.428 0.000 1.954 297 H HN 0.432 nan 8.280 nan 0.000 0.509 298 P HA -0.000 nan 4.420 nan 0.000 0.267 298 P C 0.663 178.066 177.300 0.172 0.000 1.201 298 P CA 1.101 64.150 63.100 -0.086 0.000 0.775 298 P CB 0.749 32.336 31.700 -0.189 0.000 0.854 299 T N -2.786 111.844 114.554 0.127 0.000 2.969 299 T HA 0.025 4.374 4.350 -0.001 0.000 0.250 299 T C 0.774 175.536 174.700 0.105 0.000 1.021 299 T CA 0.215 62.407 62.100 0.153 0.000 1.003 299 T CB -0.516 68.385 68.868 0.056 0.000 1.040 299 T HN 0.346 nan 8.240 nan 0.000 0.492 300 H N 2.432 121.514 119.070 0.021 0.000 2.871 300 H HA 0.216 4.772 4.556 -0.001 0.000 0.355 300 H C 1.069 176.375 175.328 -0.037 0.000 1.092 300 H CA 1.117 57.172 56.048 0.013 0.000 1.420 300 H CB 1.331 31.115 29.762 0.037 0.000 1.400 300 H HN 0.421 nan 8.280 nan 0.000 0.604 301 S N 2.108 117.762 115.700 -0.077 0.000 2.524 301 S HA 0.002 4.471 4.470 -0.001 0.000 0.215 301 S C 1.079 175.419 174.600 -0.433 0.000 0.986 301 S CA -0.519 57.490 58.200 -0.319 0.000 0.911 301 S CB 0.089 62.920 63.200 -0.617 0.000 0.805 301 S HN 0.697 nan 8.310 nan 0.000 0.501 302 W N 2.325 123.836 121.300 0.352 0.000 2.975 302 W HA 0.409 5.068 4.660 -0.001 0.000 0.316 302 W C 0.955 177.537 176.519 0.104 0.000 1.131 302 W CA -0.621 56.842 57.345 0.197 0.000 1.624 302 W CB 0.391 29.969 29.460 0.196 0.000 1.038 302 W HN 0.396 nan 8.180 nan 0.000 0.571 303 Q N -0.635 119.300 119.800 0.225 0.000 2.814 303 Q HA 0.503 4.842 4.340 -0.001 0.000 0.322 303 Q C -0.649 175.357 176.000 0.011 0.000 0.888 303 Q CA -1.256 54.575 55.803 0.046 0.000 0.768 303 Q CB 0.966 29.650 28.738 -0.091 0.000 1.443 303 Q HN -0.095 nan 8.270 nan 0.000 0.497 304 R N 0.160 120.650 120.500 -0.016 0.000 2.287 304 R HA 0.741 5.081 4.340 -0.001 0.000 0.327 304 R C -1.070 175.190 176.300 -0.066 0.000 1.109 304 R CA 0.057 56.143 56.100 -0.023 0.000 1.013 304 R CB 1.033 31.344 30.300 0.018 0.000 1.126 304 R HN 0.592 nan 8.270 nan 0.000 0.503 305 A N 1.838 124.634 122.820 -0.041 0.000 2.610 305 A HA 0.425 4.744 4.320 -0.001 0.000 0.291 305 A C -1.326 176.269 177.584 0.018 0.000 1.086 305 A CA -0.891 51.123 52.037 -0.038 0.000 0.677 305 A CB 1.161 20.109 19.000 -0.087 0.000 1.278 305 A HN 0.631 nan 8.150 nan 0.000 0.414 306 D N -0.297 120.091 120.400 -0.019 0.000 3.187 306 D HA -0.131 4.509 4.640 -0.001 0.000 0.244 306 D C -0.346 175.898 176.300 -0.094 0.000 1.114 306 D CA 0.866 54.842 54.000 -0.040 0.000 0.920 306 D CB -1.033 39.784 40.800 0.028 0.000 0.970 306 D HN 0.742 nan 8.370 nan 0.000 0.418 307 L N 0.895 122.003 121.223 -0.190 0.000 2.559 307 L HA 0.358 4.697 4.340 -0.001 0.000 0.274 307 L C 1.131 177.874 176.870 -0.211 0.000 1.205 307 L CA 1.041 55.736 54.840 -0.241 0.000 0.907 307 L CB 0.664 42.433 42.059 -0.483 0.000 1.153 307 L HN 0.298 nan 8.230 nan 0.000 0.490 308 G N 3.462 112.185 108.800 -0.129 0.000 2.537 308 G HA2 0.772 4.732 3.960 -0.001 0.000 0.323 308 G HA3 0.772 4.732 3.960 -0.001 0.000 0.323 308 G C -1.616 173.212 174.900 -0.120 0.000 1.207 308 G CA -0.289 44.700 45.100 -0.186 0.000 0.976 308 G HN 0.972 nan 8.290 nan 0.000 0.487 309 A N 0.270 122.988 122.820 -0.170 0.000 2.340 309 A HA 0.691 5.011 4.320 -0.001 0.000 0.297 309 A C -1.495 176.263 177.584 0.291 0.000 1.195 309 A CA -0.561 51.526 52.037 0.083 0.000 0.769 309 A CB 0.525 19.520 19.000 -0.008 0.000 1.163 309 A HN 0.528 nan 8.150 nan 0.000 0.472 310 Y N 1.981 122.533 120.300 0.419 0.000 2.361 310 Y HA 0.594 5.143 4.550 -0.001 0.000 0.332 310 Y C 0.185 176.405 175.900 0.533 0.000 1.101 310 Y CA -1.117 57.310 58.100 0.545 0.000 1.137 310 Y CB 1.483 40.258 38.460 0.523 0.000 1.207 310 Y HN 0.535 nan 8.280 nan 0.000 0.463 311 L N 3.955 125.373 121.223 0.325 0.000 2.346 311 L HA 0.509 4.848 4.340 -0.001 0.000 0.274 311 L C -1.233 175.494 176.870 -0.238 0.000 1.007 311 L CA -0.465 54.281 54.840 -0.157 0.000 0.818 311 L CB 1.821 43.182 42.059 -1.164 0.000 1.284 311 L HN 0.761 nan 8.230 nan 0.000 0.424 312 N N 6.196 124.610 118.700 -0.478 0.000 2.617 312 N HA 0.368 5.107 4.740 -0.001 0.000 0.263 312 N C -2.261 172.774 175.510 -0.793 0.000 1.074 312 N CA -1.421 51.136 53.050 -0.822 0.000 0.841 312 N CB 2.190 39.741 38.487 -1.560 0.000 1.221 312 N HN 0.360 nan 8.380 nan 0.000 0.529 313 P HA 0.121 nan 4.420 nan 0.000 0.249 313 P C 0.001 176.818 177.300 -0.805 0.000 1.229 313 P CA 0.325 62.439 63.100 -1.643 0.000 0.788 313 P CB 0.532 31.219 31.700 -1.687 0.000 1.072 314 R N 0.453 120.638 120.500 -0.526 0.000 2.772 314 R HA 0.289 4.628 4.340 -0.001 0.000 0.358 314 R C -2.404 173.731 176.300 -0.274 0.000 1.143 314 R CA -1.754 54.168 56.100 -0.297 0.000 1.153 314 R CB 0.552 30.707 30.300 -0.241 0.000 1.329 314 R HN 0.177 nan 8.270 nan 0.000 0.615 315 P HA 0.052 nan 4.420 nan 0.000 0.269 315 P C -2.109 175.120 177.300 -0.118 0.000 1.209 315 P CA -0.768 62.192 63.100 -0.233 0.000 0.776 315 P CB 1.121 32.708 31.700 -0.189 0.000 0.876 316 P HA 0.067 nan 4.420 nan 0.000 0.255 316 P C 0.402 177.637 177.300 -0.108 0.000 1.248 316 P CA 0.082 63.133 63.100 -0.082 0.000 0.807 316 P CB -0.004 31.699 31.700 0.005 0.000 1.150 317 A N 2.622 125.366 122.820 -0.127 0.000 2.520 317 A HA -0.049 4.270 4.320 -0.001 0.000 0.279 317 A C -1.123 176.391 177.584 -0.117 0.000 1.031 317 A CA -0.233 51.738 52.037 -0.111 0.000 0.943 317 A CB -0.860 18.063 19.000 -0.128 0.000 0.899 317 A HN 0.147 nan 8.150 nan 0.000 0.508 318 P HA -0.228 nan 4.420 nan 0.000 0.216 318 P C 1.455 178.855 177.300 0.167 0.000 1.150 318 P CA 1.654 64.851 63.100 0.162 0.000 0.843 318 P CB 0.186 31.946 31.700 0.100 0.000 0.787 319 E N -0.387 119.837 120.200 0.039 0.000 2.427 319 E HA -0.049 4.301 4.350 -0.001 0.000 0.196 319 E C 1.666 178.261 176.600 -0.009 0.000 1.028 319 E CA 1.087 57.504 56.400 0.028 0.000 0.864 319 E CB -0.901 28.797 29.700 -0.003 0.000 0.813 319 E HN 0.147 nan 8.360 nan 0.000 0.514 320 A N 1.072 123.826 122.820 -0.111 0.000 2.066 320 A HA -0.021 4.298 4.320 -0.001 0.000 0.218 320 A C 0.527 177.988 177.584 -0.206 0.000 1.157 320 A CA -0.181 51.732 52.037 -0.207 0.000 0.670 320 A CB -0.892 17.910 19.000 -0.331 0.000 0.804 320 A HN 0.283 nan 8.150 nan 0.000 0.453 321 W N 1.995 123.242 121.300 -0.088 0.000 2.391 321 W HA 0.180 4.839 4.660 -0.001 0.000 0.339 321 W C 1.244 177.766 176.519 0.006 0.000 1.252 321 W CA 0.659 57.975 57.345 -0.048 0.000 1.304 321 W CB 0.402 29.826 29.460 -0.060 0.000 1.179 321 W HN 0.369 nan 8.180 nan 0.000 0.567 322 S N 1.930 117.809 115.700 0.298 0.000 2.661 322 S HA 0.366 4.835 4.470 -0.001 0.000 0.265 322 S C -0.025 174.762 174.600 0.312 0.000 1.225 322 S CA -0.978 57.351 58.200 0.215 0.000 0.986 322 S CB 0.871 64.136 63.200 0.109 0.000 1.008 322 S HN 0.544 nan 8.310 nan 0.000 0.565 323 E N 1.663 121.985 120.200 0.203 0.000 2.392 323 E HA 0.325 4.675 4.350 -0.001 0.000 0.256 323 E C -2.123 174.496 176.600 0.031 0.000 1.145 323 E CA -1.565 54.911 56.400 0.127 0.000 0.929 323 E CB 0.170 29.912 29.700 0.071 0.000 0.998 323 E HN 0.538 nan 8.360 nan 0.000 0.442 324 P HA 0.153 nan 4.420 nan 0.000 0.285 324 P C -1.002 176.114 177.300 -0.306 0.000 1.269 324 P CA -0.439 62.330 63.100 -0.550 0.000 0.844 324 P CB 1.102 32.127 31.700 -1.124 0.000 1.094 325 V N 2.893 122.601 119.914 -0.343 0.000 2.398 325 V HA 0.217 4.336 4.120 -0.001 0.000 0.286 325 V C 0.819 176.714 176.094 -0.332 0.000 1.026 325 V CA -0.949 61.130 62.300 -0.368 0.000 0.868 325 V CB 1.339 32.809 31.823 -0.589 0.000 0.982 325 V HN 0.475 nan 8.190 nan 0.000 0.443 326 L N 5.030 126.093 121.223 -0.266 0.000 2.477 326 L HA 0.198 4.537 4.340 -0.001 0.000 0.272 326 L C 0.751 177.458 176.870 -0.272 0.000 1.157 326 L CA 0.301 55.003 54.840 -0.231 0.000 0.889 326 L CB 0.719 42.678 42.059 -0.166 0.000 1.158 326 L HN 0.724 nan 8.230 nan 0.000 0.473 327 L N 4.612 125.660 121.223 -0.291 0.000 2.575 327 L HA 0.367 4.707 4.340 -0.001 0.000 0.228 327 L C 0.407 177.118 176.870 -0.265 0.000 1.075 327 L CA 0.061 54.702 54.840 -0.332 0.000 0.867 327 L CB 0.299 42.126 42.059 -0.386 0.000 1.097 327 L HN 0.691 nan 8.230 nan 0.000 0.485 328 A N 0.137 122.806 122.820 -0.253 0.000 2.555 328 A HA 0.509 4.828 4.320 -0.001 0.000 0.297 328 A C -1.185 176.327 177.584 -0.121 0.000 1.060 328 A CA -0.676 51.255 52.037 -0.177 0.000 0.710 328 A CB 1.281 20.104 19.000 -0.296 0.000 1.282 328 A HN -0.076 nan 8.150 nan 0.000 0.399 329 K N 1.146 121.512 120.400 -0.056 0.000 2.130 329 K HA 0.668 4.988 4.320 -0.001 0.000 0.268 329 K C 0.554 177.145 176.600 -0.016 0.000 0.983 329 K CA 0.455 56.722 56.287 -0.034 0.000 0.893 329 K CB 1.689 34.176 32.500 -0.021 0.000 1.066 329 K HN 1.942 nan 8.250 nan 0.000 0.450 330 G N 1.147 109.940 108.800 -0.012 0.000 2.582 330 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.222 330 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.222 330 G C -0.460 174.416 174.900 -0.040 0.000 1.311 330 G CA -0.536 44.552 45.100 -0.019 0.000 0.915 330 G HN 0.510 nan 8.290 nan 0.000 0.528 331 S N -0.921 114.745 115.700 -0.057 0.000 2.673 331 S HA 0.375 4.844 4.470 -0.001 0.000 0.308 331 S C 0.290 174.849 174.600 -0.068 0.000 1.246 331 S CA 0.805 58.948 58.200 -0.094 0.000 1.077 331 S CB -1.291 61.829 63.200 -0.134 0.000 0.814 331 S HN 1.423 nan 8.310 nan 0.000 0.503 332 C N 4.054 123.309 119.300 -0.075 0.000 2.880 332 C HA 0.847 5.306 4.460 -0.001 0.000 0.320 332 C C 0.750 175.731 174.990 -0.016 0.000 1.176 332 C CA -0.286 58.720 59.018 -0.019 0.000 1.390 332 C CB 1.057 28.742 27.740 -0.091 0.000 1.846 332 C HN 1.091 nan 8.230 nan 0.000 0.478 333 A N 1.156 124.031 122.820 0.091 0.000 3.191 333 A HA 0.798 5.118 4.320 -0.001 0.000 0.191 333 A C -0.949 176.804 177.584 0.283 0.000 1.221 333 A CA -0.093 52.072 52.037 0.212 0.000 1.399 333 A CB -0.492 18.768 19.000 0.434 0.000 1.688 333 A HN 0.685 nan 8.150 nan 0.000 0.593 334 Y N 1.539 121.929 120.300 0.150 0.000 2.652 334 Y HA 0.341 4.890 4.550 -0.001 0.000 0.344 334 Y C 1.208 177.218 175.900 0.183 0.000 1.254 334 Y CA 0.557 58.743 58.100 0.144 0.000 1.480 334 Y CB 0.277 38.833 38.460 0.160 0.000 1.345 334 Y HN 0.680 nan 8.280 nan 0.000 0.617 335 S N 0.334 116.202 115.700 0.281 0.000 2.638 335 S HA 0.675 5.144 4.470 -0.001 0.000 0.274 335 S C -1.827 172.940 174.600 0.278 0.000 1.157 335 S CA -1.032 57.343 58.200 0.292 0.000 0.826 335 S CB 2.957 66.288 63.200 0.218 0.000 1.139 335 S HN 0.461 nan 8.310 nan 0.000 0.474 336 D N -0.042 120.544 120.400 0.309 0.000 2.966 336 D HA 0.488 5.127 4.640 -0.001 0.000 0.222 336 D C -1.230 175.245 176.300 0.291 0.000 1.292 336 D CA -0.307 53.886 54.000 0.323 0.000 0.907 336 D CB 1.342 42.357 40.800 0.359 0.000 1.621 336 D HN 0.634 nan 8.370 nan 0.000 0.557 337 L N 2.290 123.660 121.223 0.244 0.000 2.375 337 L HA 0.625 4.965 4.340 -0.001 0.000 0.268 337 L C -0.195 176.696 176.870 0.035 0.000 1.058 337 L CA -0.721 54.230 54.840 0.185 0.000 0.803 337 L CB 1.436 43.624 42.059 0.215 0.000 1.212 337 L HN 0.291 nan 8.230 nan 0.000 0.451 338 Q N 1.155 121.026 119.800 0.117 0.000 2.313 338 Q HA 0.182 4.521 4.340 -0.001 0.000 0.260 338 Q C -1.202 174.862 176.000 0.107 0.000 0.972 338 Q CA -0.347 55.504 55.803 0.080 0.000 0.886 338 Q CB 2.333 31.152 28.738 0.134 0.000 1.373 338 Q HN 0.569 nan 8.270 nan 0.000 0.416 339 S N 2.724 118.494 115.700 0.116 0.000 2.481 339 S HA 0.269 4.738 4.470 -0.001 0.000 0.276 339 S C 0.899 175.350 174.600 -0.248 0.000 1.247 339 S CA 0.037 58.238 58.200 0.002 0.000 1.053 339 S CB 0.184 63.468 63.200 0.139 0.000 0.925 339 S HN 0.608 nan 8.310 nan 0.000 0.491 340 M N 4.417 123.698 119.600 -0.532 0.000 2.382 340 M HA 0.265 4.744 4.480 -0.001 0.000 0.247 340 M C 1.220 177.096 176.300 -0.707 0.000 1.104 340 M CA 0.527 55.258 55.300 -0.948 0.000 1.030 340 M CB 0.093 32.155 32.600 -0.897 0.000 1.424 340 M HN 0.943 nan 8.290 nan 0.000 0.486 341 G N 0.237 108.771 108.800 -0.443 0.000 2.456 341 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.204 341 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.204 341 G C -0.598 174.130 174.900 -0.286 0.000 1.193 341 G CA -0.657 44.279 45.100 -0.274 0.000 1.220 341 G HN 0.172 nan 8.290 nan 0.000 0.565 342 T N 1.560 115.985 114.554 -0.215 0.000 2.770 342 T HA 0.662 5.011 4.350 -0.001 0.000 0.283 342 T C 0.776 175.374 174.700 -0.170 0.000 0.988 342 T CA 0.498 62.497 62.100 -0.168 0.000 0.957 342 T CB 1.285 70.101 68.868 -0.086 0.000 0.930 342 T HN 1.344 nan 8.240 nan 0.000 0.443 343 G N 2.933 111.629 108.800 -0.173 0.000 2.563 343 G HA2 0.393 4.353 3.960 -0.001 0.000 0.283 343 G HA3 0.393 4.353 3.960 -0.001 0.000 0.283 343 G C -1.544 173.320 174.900 -0.060 0.000 1.309 343 G CA -1.464 43.561 45.100 -0.124 0.000 1.022 343 G HN 0.385 nan 8.290 nan 0.000 0.501 344 P HA -0.076 nan 4.420 nan 0.000 0.215 344 P C 1.040 178.299 177.300 -0.068 0.000 1.153 344 P CA 1.558 64.613 63.100 -0.076 0.000 0.853 344 P CB 0.054 31.613 31.700 -0.234 0.000 0.788 345 D N -1.779 118.573 120.400 -0.080 0.000 2.332 345 D HA 0.091 4.731 4.640 -0.001 0.000 0.244 345 D C 1.376 177.669 176.300 -0.013 0.000 1.136 345 D CA 0.583 54.551 54.000 -0.052 0.000 0.884 345 D CB -1.199 39.559 40.800 -0.070 0.000 0.906 345 D HN 0.249 nan 8.370 nan 0.000 0.520 346 G N -0.289 108.507 108.800 -0.007 0.000 2.212 346 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.266 346 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.266 346 G C 0.505 175.443 174.900 0.063 0.000 0.978 346 G CA 0.671 45.786 45.100 0.026 0.000 0.632 346 G HN 0.877 nan 8.290 nan 0.000 0.537 347 S N -0.042 115.695 115.700 0.062 0.000 2.730 347 S HA 0.767 5.237 4.470 -0.001 0.000 0.284 347 S C -2.602 171.970 174.600 -0.046 0.000 1.153 347 S CA -1.476 56.805 58.200 0.135 0.000 0.995 347 S CB 2.270 65.564 63.200 0.157 0.000 1.058 347 S HN 0.065 nan 8.310 nan 0.000 0.552 348 P HA 0.214 nan 4.420 nan 0.000 0.264 348 P C -0.956 175.888 177.300 -0.760 0.000 1.193 348 P CA -0.216 62.626 63.100 -0.430 0.000 0.763 348 P CB 0.218 31.624 31.700 -0.490 0.000 0.810 349 L N 5.338 126.070 121.223 -0.819 0.000 2.325 349 L HA 0.581 4.921 4.340 -0.001 0.000 0.279 349 L C -1.123 175.071 176.870 -1.128 0.000 1.054 349 L CA -0.186 54.181 54.840 -0.787 0.000 0.804 349 L CB 0.005 41.739 42.059 -0.542 0.000 1.200 349 L HN 0.167 nan 8.230 nan 0.000 0.436 350 F N 2.128 121.778 119.950 -0.500 0.000 2.563 350 F HA 0.759 5.286 4.527 -0.001 0.000 0.316 350 F C 0.666 176.188 175.800 -0.463 0.000 1.076 350 F CA -0.703 56.963 58.000 -0.558 0.000 0.921 350 F CB 2.189 40.658 39.000 -0.885 0.000 1.209 350 F HN 0.543 nan 8.300 nan 0.000 0.462 351 G N 0.265 109.062 108.800 -0.005 0.000 2.513 351 G HA2 0.532 4.491 3.960 -0.001 0.000 0.317 351 G HA3 0.532 4.491 3.960 -0.001 0.000 0.317 351 G C -2.010 173.059 174.900 0.281 0.000 1.277 351 G CA -0.743 44.482 45.100 0.209 0.000 0.955 351 G HN 0.875 nan 8.290 nan 0.000 0.484 352 C N 3.878 123.383 119.300 0.341 0.000 2.516 352 C HA 0.691 5.150 4.460 -0.001 0.000 0.338 352 C C -1.028 174.252 174.990 0.484 0.000 1.132 352 C CA -0.804 58.454 59.018 0.401 0.000 1.310 352 C CB 0.226 28.224 27.740 0.431 0.000 1.898 352 C HN 0.697 nan 8.230 nan 0.000 0.452 353 L N 7.485 128.981 121.223 0.454 0.000 2.287 353 L HA 0.738 5.077 4.340 -0.001 0.000 0.287 353 L C -0.656 176.431 176.870 0.362 0.000 1.022 353 L CA 0.030 55.095 54.840 0.375 0.000 0.814 353 L CB 1.036 43.300 42.059 0.342 0.000 1.217 353 L HN 0.749 nan 8.230 nan 0.000 0.420 354 Y N 1.374 121.802 120.300 0.215 0.000 2.457 354 Y HA 0.626 5.176 4.550 -0.001 0.000 0.343 354 Y C -0.523 175.468 175.900 0.152 0.000 0.994 354 Y CA -1.251 56.954 58.100 0.176 0.000 1.031 354 Y CB 0.776 39.312 38.460 0.126 0.000 1.246 354 Y HN 0.600 nan 8.280 nan 0.000 0.449 355 E N 2.381 122.769 120.200 0.313 0.000 2.413 355 E HA 0.505 4.854 4.350 -0.001 0.000 0.263 355 E C -0.630 176.095 176.600 0.208 0.000 1.015 355 E CA 0.229 56.760 56.400 0.217 0.000 0.916 355 E CB 0.843 30.718 29.700 0.292 0.000 0.947 355 E HN 0.828 nan 8.360 nan 0.000 0.440 356 A N 2.975 125.837 122.820 0.070 0.000 2.594 356 A HA 0.407 4.727 4.320 -0.001 0.000 0.291 356 A C -0.676 176.878 177.584 -0.051 0.000 1.105 356 A CA -0.884 51.191 52.037 0.063 0.000 0.694 356 A CB 1.128 20.216 19.000 0.145 0.000 1.291 356 A HN 0.688 nan 8.150 nan 0.000 0.410 357 N N 0.991 119.657 118.700 -0.056 0.000 2.669 357 N HA -0.194 4.546 4.740 -0.001 0.000 0.266 357 N C -0.217 175.220 175.510 -0.121 0.000 1.024 357 N CA 1.887 54.894 53.050 -0.072 0.000 0.766 357 N CB -0.534 37.942 38.487 -0.019 0.000 0.898 357 N HN 0.987 nan 8.380 nan 0.000 0.548 358 D N -0.576 119.661 120.400 -0.271 0.000 2.746 358 D HA -0.258 4.381 4.640 -0.001 0.000 0.236 358 D C -0.591 175.596 176.300 -0.188 0.000 1.129 358 D CA 1.347 55.159 54.000 -0.314 0.000 0.691 358 D CB -1.480 39.280 40.800 -0.066 0.000 1.077 358 D HN 0.599 nan 8.370 nan 0.000 0.432 359 Y N -2.321 118.000 120.300 0.035 0.000 3.589 359 Y HA -0.277 4.273 4.550 -0.001 0.000 0.218 359 Y C 1.321 177.248 175.900 0.045 0.000 1.234 359 Y CA 1.024 59.142 58.100 0.030 0.000 1.576 359 Y CB -2.174 36.284 38.460 -0.002 0.000 1.487 359 Y HN 0.447 nan 8.280 nan 0.000 0.616 360 E N 0.835 121.095 120.200 0.102 0.000 2.481 360 E HA 0.123 4.472 4.350 -0.001 0.000 0.198 360 E C 0.537 177.197 176.600 0.100 0.000 1.027 360 E CA 0.763 57.225 56.400 0.102 0.000 0.900 360 E CB 0.529 30.265 29.700 0.060 0.000 0.993 360 E HN 0.771 nan 8.360 nan 0.000 0.482 361 E N 0.160 120.415 120.200 0.093 0.000 2.419 361 E HA 0.282 4.631 4.350 -0.001 0.000 0.285 361 E C -1.362 175.268 176.600 0.050 0.000 1.079 361 E CA -0.535 55.908 56.400 0.071 0.000 0.864 361 E CB 0.551 30.261 29.700 0.016 0.000 1.216 361 E HN -0.100 nan 8.360 nan 0.000 0.428 362 I N 2.132 122.747 120.570 0.074 0.000 2.377 362 I HA 0.424 4.594 4.170 -0.001 0.000 0.293 362 I C -0.442 175.613 176.117 -0.104 0.000 0.987 362 I CA -1.193 60.132 61.300 0.041 0.000 1.185 362 I CB 1.774 39.906 38.000 0.221 0.000 1.341 362 I HN 0.359 nan 8.210 nan 0.000 0.455 363 V N 5.875 125.575 119.914 -0.356 0.000 2.732 363 V HA 0.375 4.494 4.120 -0.001 0.000 0.310 363 V C -0.650 175.308 176.094 -0.227 0.000 1.053 363 V CA -0.734 61.314 62.300 -0.420 0.000 0.957 363 V CB 2.018 33.384 31.823 -0.762 0.000 1.018 363 V HN 0.447 nan 8.190 nan 0.000 0.452 364 F N 4.512 124.347 119.950 -0.190 0.000 2.426 364 F HA 0.781 5.307 4.527 -0.001 0.000 0.348 364 F C -1.019 174.877 175.800 0.160 0.000 1.124 364 F CA -1.077 56.931 58.000 0.014 0.000 1.008 364 F CB 1.216 40.238 39.000 0.036 0.000 1.139 364 F HN 0.284 nan 8.300 nan 0.000 0.452 365 L N 6.826 127.876 121.223 -0.288 0.000 2.346 365 L HA 0.638 4.978 4.340 -0.001 0.000 0.274 365 L C -0.918 175.715 176.870 -0.395 0.000 1.007 365 L CA -0.489 54.239 54.840 -0.187 0.000 0.818 365 L CB 1.968 44.185 42.059 0.265 0.000 1.284 365 L HN 0.797 nan 8.230 nan 0.000 0.424 366 M N 4.748 124.223 119.600 -0.208 0.000 2.326 366 M HA 0.663 5.142 4.480 -0.001 0.000 0.292 366 M C -1.863 174.528 176.300 0.153 0.000 1.081 366 M CA -0.418 54.799 55.300 -0.139 0.000 0.919 366 M CB 1.478 33.979 32.600 -0.165 0.000 1.634 366 M HN 0.513 nan 8.290 nan 0.000 0.451 367 F N 0.416 120.383 119.950 0.029 0.000 2.741 367 F HA 0.842 5.369 4.527 -0.001 0.000 0.313 367 F C -0.833 175.026 175.800 0.098 0.000 1.153 367 F CA -0.782 57.246 58.000 0.046 0.000 0.931 367 F CB 0.857 39.878 39.000 0.034 0.000 1.335 367 F HN 0.561 nan 8.300 nan 0.000 0.460 368 T N -0.839 113.850 114.554 0.224 0.000 2.937 368 T HA 0.430 4.779 4.350 -0.001 0.000 0.283 368 T C 0.349 175.245 174.700 0.326 0.000 1.012 368 T CA -0.556 61.608 62.100 0.108 0.000 0.997 368 T CB 1.659 70.525 68.868 -0.003 0.000 1.136 368 T HN 0.918 nan 8.240 nan 0.000 0.551 369 L N 0.530 121.923 121.223 0.283 0.000 2.141 369 L HA 0.239 4.578 4.340 -0.001 0.000 0.209 369 L C 2.519 179.517 176.870 0.215 0.000 1.094 369 L CA 1.752 56.846 54.840 0.422 0.000 0.763 369 L CB -1.020 41.321 42.059 0.469 0.000 0.908 369 L HN 0.881 nan 8.230 nan 0.000 0.437 370 K N -1.181 119.191 120.400 -0.046 0.000 2.097 370 K HA -0.174 4.145 4.320 -0.001 0.000 0.205 370 K C 2.001 178.558 176.600 -0.071 0.000 1.050 370 K CA 1.453 57.597 56.287 -0.239 0.000 0.938 370 K CB 0.042 32.351 32.500 -0.319 0.000 0.718 370 K HN 0.523 nan 8.250 nan 0.000 0.442 371 Q N -0.372 119.432 119.800 0.008 0.000 1.994 371 Q HA -0.088 4.251 4.340 -0.001 0.000 0.198 371 Q C 2.216 178.175 176.000 -0.068 0.000 0.976 371 Q CA 1.385 57.184 55.803 -0.006 0.000 0.828 371 Q CB -0.173 28.595 28.738 0.051 0.000 0.894 371 Q HN 0.342 nan 8.270 nan 0.000 0.432 372 A N 0.525 123.318 122.820 -0.045 0.000 1.902 372 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 372 A C 0.707 177.917 177.584 -0.624 0.000 1.181 372 A CA 1.117 52.930 52.037 -0.374 0.000 0.623 372 A CB -0.165 18.641 19.000 -0.323 0.000 0.818 372 A HN 0.312 nan 8.150 nan 0.000 0.443 373 F N -0.213 119.787 119.950 0.083 0.000 2.530 373 F HA 0.294 4.820 4.527 -0.001 0.000 0.318 373 F C -1.500 174.343 175.800 0.072 0.000 1.356 373 F CA -2.062 55.995 58.000 0.096 0.000 1.135 373 F CB 1.088 40.199 39.000 0.184 0.000 1.315 373 F HN 0.125 nan 8.300 nan 0.000 0.549 374 P HA -0.287 nan 4.420 nan 0.000 0.216 374 P C 1.692 179.053 177.300 0.101 0.000 1.150 374 P CA 1.822 64.944 63.100 0.038 0.000 0.843 374 P CB 0.309 32.004 31.700 -0.007 0.000 0.787 375 A N 0.392 123.294 122.820 0.136 0.000 1.971 375 A HA -0.254 4.065 4.320 -0.001 0.000 0.222 375 A C 2.204 179.899 177.584 0.185 0.000 1.182 375 A CA 1.835 53.957 52.037 0.141 0.000 0.649 375 A CB -0.922 18.164 19.000 0.145 0.000 0.818 375 A HN 0.182 nan 8.150 nan 0.000 0.458 376 E N -1.119 119.247 120.200 0.276 0.000 1.994 376 E HA 0.032 4.381 4.350 -0.001 0.000 0.197 376 E C 0.733 177.586 176.600 0.420 0.000 0.982 376 E CA 1.414 58.047 56.400 0.387 0.000 0.855 376 E CB -0.503 29.573 29.700 0.627 0.000 0.806 376 E HN 0.785 nan 8.360 nan 0.000 0.495 377 Y N 0.000 120.407 120.300 0.179 0.000 2.660 377 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 377 Y CA 0.000 58.176 58.100 0.127 0.000 1.940 377 Y CB 0.000 38.529 38.460 0.116 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758