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 2zoq_1_A DATA FIRST_RESID 24 DATA SEQUENCE VPGEVEMVKG QPFDVGPRYT QLQYIGEGAY GMVSSAYDHV RKTRVAIKKI DATA SEQUENCE SPFEHQTYCQ RTLREIQILL RFRHENVIGI RDILRASTLE AMRDVYIVQD DATA SEQUENCE LMETDLYKLL KSQQLSNDHI CYFLYQILRG LKYIHSANVL HRDLKPSNLL DATA SEQUENCE INTTCDLKIC DFGLARIADP EHDHTGFLTE XVATRWYRAP EIMLNSKGYT DATA SEQUENCE KSIDIWSVGC ILAEMLSNRP IFPGKHYLDQ LNHILGILGS PSQEDLNCII DATA SEQUENCE NMKARNYLQS LPSKTKVAWA KLFPKSDSKA LDLLDRMLTF NPNKRITVEE DATA SEQUENCE ALAHPYLEQY YDPTDEPVAE EPFTFAMELD DLPKERLKEL IFQETARFQP DATA SEQUENCE GV 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 24 V HA 0.000 nan 4.120 nan 0.000 0.244 24 V C 0.000 176.078 176.094 -0.027 0.000 1.182 24 V CA 0.000 62.285 62.300 -0.026 0.000 1.235 24 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 25 P HA 0.838 nan 4.420 nan 0.000 0.293 25 P C 0.610 177.909 177.300 -0.001 0.000 1.298 25 P CA 0.820 63.913 63.100 -0.011 0.000 0.757 25 P CB 1.466 33.163 31.700 -0.006 0.000 1.262 26 G N -1.503 107.302 108.800 0.008 0.000 2.725 26 G HA2 0.141 4.099 3.960 -0.004 0.000 0.100 26 G HA3 0.141 4.099 3.960 -0.004 0.000 0.100 26 G C -0.195 174.722 174.900 0.029 0.000 2.315 26 G CA 1.036 46.147 45.100 0.019 0.000 1.153 26 G HN 0.935 nan 8.290 nan 0.000 0.325 27 E N -1.210 119.013 120.200 0.038 0.000 9.216 27 E HA 0.157 4.504 4.350 -0.004 0.000 0.459 27 E C 0.665 177.303 176.600 0.064 0.000 1.406 27 E CA 2.431 58.862 56.400 0.051 0.000 2.442 27 E CB -1.030 28.692 29.700 0.037 0.000 1.033 27 E HN 2.492 nan 8.360 nan 0.000 0.376 28 V N -0.981 118.983 119.914 0.083 0.000 5.775 28 V HA -0.218 3.900 4.120 -0.004 0.000 0.276 28 V C 0.666 176.820 176.094 0.100 0.000 0.650 28 V CA 2.192 64.554 62.300 0.104 0.000 0.954 28 V CB -1.675 30.198 31.823 0.083 0.000 1.077 28 V HN 0.709 nan 8.190 nan 0.000 0.455 29 E N 2.482 122.755 120.200 0.121 0.000 2.340 29 E HA 0.441 4.789 4.350 -0.004 0.000 0.194 29 E C 0.753 177.394 176.600 0.069 0.000 0.996 29 E CA 0.301 56.753 56.400 0.086 0.000 0.869 29 E CB 0.211 29.959 29.700 0.080 0.000 0.835 29 E HN 0.928 nan 8.360 nan 0.000 0.493 30 M N 0.433 120.103 119.600 0.116 0.000 4.047 30 M HA -0.175 4.302 4.480 -0.004 0.000 0.157 30 M C -0.938 175.343 176.300 -0.032 0.000 1.532 30 M CA 0.147 55.500 55.300 0.089 0.000 1.097 30 M CB -0.277 32.363 32.600 0.067 0.000 1.346 30 M HN 0.008 nan 8.290 nan 0.000 0.191 31 V N 3.170 123.017 119.914 -0.112 0.000 2.409 31 V HA 0.910 5.027 4.120 -0.004 0.000 0.291 31 V C 0.757 176.789 176.094 -0.105 0.000 1.020 31 V CA -0.791 61.377 62.300 -0.220 0.000 0.848 31 V CB 1.859 33.348 31.823 -0.556 0.000 0.990 31 V HN 0.997 nan 8.190 nan 0.000 0.430 32 K N 3.988 124.303 120.400 -0.142 0.000 5.147 32 K HA -0.170 4.148 4.320 -0.004 0.000 0.175 32 K C 0.989 177.552 176.600 -0.061 0.000 1.277 32 K CA 1.813 58.008 56.287 -0.154 0.000 0.622 32 K CB -1.797 30.610 32.500 -0.155 0.000 0.640 32 K HN 1.506 nan 8.250 nan 0.000 0.619 33 G N 1.825 110.614 108.800 -0.019 0.000 3.979 33 G HA2 0.297 4.255 3.960 -0.004 0.000 0.287 33 G HA3 0.297 4.255 3.960 -0.004 0.000 0.287 33 G C -0.248 174.685 174.900 0.055 0.000 1.011 33 G CA -0.064 45.043 45.100 0.012 0.000 0.818 33 G HN 0.213 nan 8.290 nan 0.000 0.470 34 Q N 0.746 120.605 119.800 0.099 0.000 2.309 34 Q HA 0.383 4.720 4.340 -0.004 0.000 0.264 34 Q C -2.781 173.372 176.000 0.255 0.000 1.008 34 Q CA -2.184 53.715 55.803 0.161 0.000 0.853 34 Q CB 2.497 31.347 28.738 0.186 0.000 1.314 34 Q HN -0.012 nan 8.270 nan 0.000 0.448 35 P HA 0.063 nan 4.420 nan 0.000 0.271 35 P C -1.120 176.429 177.300 0.416 0.000 1.218 35 P CA 0.061 63.319 63.100 0.263 0.000 0.780 35 P CB 0.355 32.158 31.700 0.171 0.000 0.901 36 F N 1.284 121.328 119.950 0.157 0.000 2.622 36 F HA 0.145 4.670 4.527 -0.003 0.000 0.338 36 F C 0.397 176.225 175.800 0.047 0.000 1.334 36 F CA -0.543 57.584 58.000 0.212 0.000 1.179 36 F CB 0.341 39.443 39.000 0.169 0.000 1.471 36 F HN 0.163 nan 8.300 nan 0.000 0.576 37 D N 2.629 123.056 120.400 0.046 0.000 2.455 37 D HA 0.132 4.769 4.640 -0.004 0.000 0.234 37 D C 0.958 177.031 176.300 -0.378 0.000 1.224 37 D CA 0.500 54.447 54.000 -0.088 0.000 0.999 37 D CB 0.739 41.534 40.800 -0.008 0.000 1.072 37 D HN 0.371 nan 8.370 nan 0.000 0.514 38 V N 1.002 120.791 119.914 -0.209 0.000 3.451 38 V HA 0.403 4.520 4.120 -0.004 0.000 0.288 38 V C 1.049 177.195 176.094 0.085 0.000 1.502 38 V CA -0.050 62.150 62.300 -0.167 0.000 1.026 38 V CB 0.189 31.923 31.823 -0.148 0.000 0.840 38 V HN 0.272 nan 8.190 nan 0.000 0.437 39 G N 1.445 110.289 108.800 0.072 0.000 2.667 39 G HA2 0.448 4.405 3.960 -0.004 0.000 0.250 39 G HA3 0.448 4.405 3.960 -0.004 0.000 0.250 39 G C -1.269 173.644 174.900 0.021 0.000 1.212 39 G CA -0.265 44.882 45.100 0.078 0.000 0.874 39 G HN 0.349 nan 8.290 nan 0.000 0.561 40 P HA 0.015 nan 4.420 nan 0.000 0.225 40 P C 2.082 179.363 177.300 -0.033 0.000 1.156 40 P CA 0.033 63.109 63.100 -0.039 0.000 0.787 40 P CB 0.256 31.909 31.700 -0.079 0.000 0.802 41 R N -0.360 120.074 120.500 -0.111 0.000 2.115 41 R HA -0.117 4.220 4.340 -0.004 0.000 0.239 41 R C 0.387 176.482 176.300 -0.340 0.000 1.133 41 R CA 1.550 57.431 56.100 -0.365 0.000 0.935 41 R CB -1.117 28.710 30.300 -0.789 0.000 0.853 41 R HN 0.328 nan 8.270 nan 0.000 0.433 42 Y N -0.426 119.969 120.300 0.159 0.000 2.377 42 Y HA 0.387 4.935 4.550 -0.004 0.000 0.339 42 Y C 0.647 176.667 175.900 0.199 0.000 1.011 42 Y CA -0.745 57.433 58.100 0.130 0.000 1.093 42 Y CB 1.955 40.441 38.460 0.044 0.000 1.201 42 Y HN 0.029 nan 8.280 nan 0.000 0.455 43 T N -1.805 112.974 114.554 0.375 0.000 2.754 43 T HA 0.406 4.754 4.350 -0.004 0.000 0.296 43 T C -0.667 174.170 174.700 0.229 0.000 1.205 43 T CA -1.227 61.058 62.100 0.308 0.000 1.009 43 T CB 1.734 70.834 68.868 0.387 0.000 1.368 43 T HN 0.662 nan 8.240 nan 0.000 0.509 44 Q N 0.016 119.908 119.800 0.154 0.000 2.481 44 Q HA -0.122 4.216 4.340 -0.004 0.000 0.283 44 Q C -0.939 175.105 176.000 0.074 0.000 1.292 44 Q CA -0.111 55.748 55.803 0.094 0.000 0.819 44 Q CB -1.638 27.148 28.738 0.080 0.000 1.202 44 Q HN 0.566 nan 8.270 nan 0.000 0.446 45 L N 1.201 122.460 121.223 0.059 0.000 2.485 45 L HA 0.060 4.398 4.340 -0.004 0.000 0.275 45 L C 0.694 177.538 176.870 -0.044 0.000 1.207 45 L CA 1.486 56.325 54.840 -0.003 0.000 0.855 45 L CB 0.494 42.515 42.059 -0.064 0.000 1.114 45 L HN 0.135 nan 8.230 nan 0.000 0.485 46 Q N 2.381 122.146 119.800 -0.057 0.000 2.269 46 Q HA 0.204 4.541 4.340 -0.004 0.000 0.263 46 Q C -1.404 174.581 176.000 -0.026 0.000 0.983 46 Q CA -0.875 54.911 55.803 -0.028 0.000 0.777 46 Q CB 1.889 30.626 28.738 -0.001 0.000 1.273 46 Q HN 0.448 nan 8.270 nan 0.000 0.440 47 Y N 3.757 123.967 120.300 -0.149 0.000 2.805 47 Y HA -0.148 4.399 4.550 -0.005 0.000 0.331 47 Y C 0.365 176.223 175.900 -0.070 0.000 1.241 47 Y CA 0.871 58.891 58.100 -0.133 0.000 1.546 47 Y CB 0.454 38.848 38.460 -0.110 0.000 1.248 47 Y HN 0.671 nan 8.280 nan 0.000 0.559 48 I N 4.241 124.494 120.570 -0.529 0.000 3.172 48 I HA 0.313 4.481 4.170 -0.004 0.000 0.278 48 I C 1.213 176.932 176.117 -0.663 0.000 1.174 48 I CA 1.294 62.348 61.300 -0.410 0.000 1.445 48 I CB -0.719 37.132 38.000 -0.249 0.000 1.175 48 I HN 0.783 nan 8.210 nan 0.000 0.447 49 G N 0.308 108.385 108.800 -1.204 0.000 2.336 49 G HA2 0.113 4.070 3.960 -0.004 0.000 0.300 49 G HA3 0.113 4.070 3.960 -0.004 0.000 0.300 49 G C -0.363 174.260 174.900 -0.462 0.000 1.375 49 G CA -0.488 44.070 45.100 -0.904 0.000 0.885 49 G HN 0.102 nan 8.290 nan 0.000 0.599 50 E N -0.959 119.184 120.200 -0.096 0.000 3.500 50 E HA 0.215 4.563 4.350 -0.004 0.000 0.464 50 E C 0.903 177.492 176.600 -0.019 0.000 1.503 50 E CA 2.436 58.841 56.400 0.008 0.000 2.588 50 E CB -0.073 29.603 29.700 -0.040 0.000 0.808 50 E HN 2.371 nan 8.360 nan 0.000 0.404 51 G N -1.644 107.145 108.800 -0.018 0.000 2.344 51 G HA2 0.228 4.186 3.960 -0.004 0.000 0.252 51 G HA3 0.228 4.186 3.960 -0.004 0.000 0.252 51 G C 0.106 174.972 174.900 -0.056 0.000 1.415 51 G CA 0.194 45.308 45.100 0.023 0.000 1.224 51 G HN 0.687 nan 8.290 nan 0.000 0.616 52 A N 1.094 123.812 122.820 -0.169 0.000 2.042 52 A HA 0.037 4.355 4.320 -0.004 0.000 0.222 52 A C 1.759 179.109 177.584 -0.390 0.000 1.167 52 A CA 2.397 54.251 52.037 -0.306 0.000 0.649 52 A CB -0.396 18.354 19.000 -0.416 0.000 0.809 52 A HN 0.900 nan 8.150 nan 0.000 0.457 53 Y N -0.409 119.759 120.300 -0.219 0.000 2.392 53 Y HA 0.341 4.887 4.550 -0.006 0.000 0.249 53 Y C 1.925 177.653 175.900 -0.288 0.000 1.032 53 Y CA 0.858 58.796 58.100 -0.269 0.000 1.040 53 Y CB -0.965 37.381 38.460 -0.190 0.000 1.029 53 Y HN 0.322 nan 8.280 nan 0.000 0.470 54 G N -1.055 107.753 108.800 0.015 0.000 3.140 54 G HA2 0.496 4.454 3.960 -0.004 0.000 0.271 54 G HA3 0.496 4.454 3.960 -0.004 0.000 0.271 54 G C -1.545 173.350 174.900 -0.008 0.000 1.370 54 G CA -0.957 44.101 45.100 -0.070 0.000 1.014 54 G HN 0.143 nan 8.290 nan 0.000 0.541 55 M N 0.984 120.603 119.600 0.032 0.000 2.209 55 M HA 0.577 5.054 4.480 -0.004 0.000 0.355 55 M C -1.080 175.325 176.300 0.175 0.000 1.171 55 M CA -0.556 54.839 55.300 0.158 0.000 1.069 55 M CB 1.396 34.194 32.600 0.330 0.000 1.622 55 M HN 0.188 nan 8.290 nan 0.000 0.459 56 V N 3.591 123.533 119.914 0.046 0.000 2.459 56 V HA 0.666 4.784 4.120 -0.004 0.000 0.295 56 V C -0.301 175.752 176.094 -0.069 0.000 1.029 56 V CA -0.571 61.732 62.300 0.004 0.000 0.874 56 V CB 1.305 33.071 31.823 -0.094 0.000 0.985 56 V HN 0.959 nan 8.190 nan 0.000 0.438 57 S N 1.922 117.644 115.700 0.037 0.000 2.704 57 S HA 0.807 5.275 4.470 -0.004 0.000 0.296 57 S C -0.257 174.330 174.600 -0.021 0.000 1.138 57 S CA -0.658 57.502 58.200 -0.067 0.000 0.875 57 S CB 2.167 65.225 63.200 -0.237 0.000 1.151 57 S HN 1.045 nan 8.310 nan 0.000 0.500 58 S N 0.009 115.688 115.700 -0.035 0.000 2.568 58 S HA 0.949 5.417 4.470 -0.004 0.000 0.302 58 S C -0.623 173.991 174.600 0.024 0.000 1.082 58 S CA -0.685 57.510 58.200 -0.008 0.000 1.009 58 S CB 1.639 64.834 63.200 -0.010 0.000 1.069 58 S HN 1.200 nan 8.310 nan 0.000 0.500 59 A N 1.096 123.947 122.820 0.052 0.000 2.610 59 A HA 0.633 4.951 4.320 -0.004 0.000 0.291 59 A C -1.897 175.784 177.584 0.162 0.000 1.086 59 A CA -0.792 51.316 52.037 0.117 0.000 0.677 59 A CB 0.721 19.811 19.000 0.149 0.000 1.278 59 A HN 1.105 nan 8.150 nan 0.000 0.414 60 Y N 1.553 121.868 120.300 0.025 0.000 2.404 60 Y HA 0.430 4.977 4.550 -0.004 0.000 0.344 60 Y C 0.011 175.828 175.900 -0.138 0.000 0.995 60 Y CA -0.307 57.739 58.100 -0.090 0.000 1.201 60 Y CB 0.680 39.009 38.460 -0.219 0.000 1.151 60 Y HN 0.668 nan 8.280 nan 0.000 0.517 61 D N 4.479 124.565 120.400 -0.523 0.000 2.352 61 D HA 0.055 4.693 4.640 -0.004 0.000 0.245 61 D C 0.479 176.229 176.300 -0.917 0.000 1.224 61 D CA 0.243 53.961 54.000 -0.470 0.000 0.879 61 D CB 0.390 41.127 40.800 -0.105 0.000 1.057 61 D HN 0.776 nan 8.370 nan 0.000 0.491 62 H N 1.637 120.375 119.070 -0.554 0.000 2.491 62 H HA -0.057 4.497 4.556 -0.004 0.000 0.290 62 H C 1.919 177.109 175.328 -0.230 0.000 1.050 62 H CA 1.472 57.326 56.048 -0.323 0.000 1.309 62 H CB 0.399 30.104 29.762 -0.094 0.000 1.392 62 H HN 0.394 nan 8.280 nan 0.000 0.554 63 V N -1.432 118.381 119.914 -0.169 0.000 2.426 63 V HA 0.015 4.133 4.120 -0.004 0.000 0.242 63 V C 1.814 177.848 176.094 -0.100 0.000 1.036 63 V CA 0.971 63.211 62.300 -0.100 0.000 1.044 63 V CB -0.036 31.729 31.823 -0.096 0.000 0.688 63 V HN 0.125 nan 8.190 nan 0.000 0.462 64 R N 1.290 121.705 120.500 -0.141 0.000 2.310 64 R HA 0.095 4.433 4.340 -0.004 0.000 0.202 64 R C 0.522 176.735 176.300 -0.145 0.000 0.933 64 R CA 0.403 56.442 56.100 -0.102 0.000 1.054 64 R CB -0.111 30.148 30.300 -0.067 0.000 0.985 64 R HN 0.787 nan 8.270 nan 0.000 0.489 65 K N 0.140 120.388 120.400 -0.252 0.000 3.213 65 K HA -0.233 4.085 4.320 -0.004 0.000 0.266 65 K C -0.724 175.751 176.600 -0.208 0.000 0.911 65 K CA 1.297 57.418 56.287 -0.278 0.000 0.684 65 K CB -2.404 30.106 32.500 0.017 0.000 1.402 65 K HN 0.132 nan 8.250 nan 0.000 0.465 66 T N -1.043 113.296 114.554 -0.358 0.000 2.868 66 T HA 0.532 4.880 4.350 -0.004 0.000 0.306 66 T C -1.246 173.384 174.700 -0.117 0.000 1.224 66 T CA -1.037 60.997 62.100 -0.109 0.000 1.012 66 T CB 1.087 69.929 68.868 -0.042 0.000 1.221 66 T HN 0.393 nan 8.240 nan 0.000 0.499 67 R N 1.755 122.278 120.500 0.038 0.000 2.340 67 R HA 0.586 4.923 4.340 -0.004 0.000 0.300 67 R C 0.012 176.325 176.300 0.022 0.000 1.069 67 R CA -0.423 55.712 56.100 0.059 0.000 0.984 67 R CB 0.939 31.297 30.300 0.098 0.000 1.003 67 R HN 0.541 nan 8.270 nan 0.000 0.459 68 V N -0.592 119.332 119.914 0.018 0.000 3.155 68 V HA 0.904 5.022 4.120 -0.004 0.000 0.313 68 V C -0.609 175.464 176.094 -0.033 0.000 1.162 68 V CA -1.137 61.155 62.300 -0.013 0.000 1.048 68 V CB 1.923 33.729 31.823 -0.027 0.000 1.092 68 V HN 0.785 nan 8.190 nan 0.000 0.447 69 A N 2.024 124.813 122.820 -0.052 0.000 2.312 69 A HA 0.886 5.204 4.320 -0.004 0.000 0.326 69 A C -0.621 176.918 177.584 -0.075 0.000 1.172 69 A CA -0.703 51.304 52.037 -0.051 0.000 0.821 69 A CB 1.107 20.078 19.000 -0.048 0.000 1.166 69 A HN 1.316 nan 8.150 nan 0.000 0.493 70 I N 2.081 122.635 120.570 -0.026 0.000 2.534 70 I HA 0.319 4.487 4.170 -0.004 0.000 0.286 70 I C -0.812 175.361 176.117 0.094 0.000 1.094 70 I CA -0.360 60.932 61.300 -0.012 0.000 1.055 70 I CB 1.494 39.459 38.000 -0.060 0.000 1.225 70 I HN 0.816 nan 8.210 nan 0.000 0.435 71 K N 7.801 128.198 120.400 -0.006 0.000 2.227 71 K HA 0.274 4.591 4.320 -0.004 0.000 0.280 71 K C -0.549 175.947 176.600 -0.174 0.000 1.041 71 K CA -0.520 55.744 56.287 -0.039 0.000 0.905 71 K CB 1.022 33.467 32.500 -0.092 0.000 1.068 71 K HN 0.615 nan 8.250 nan 0.000 0.470 72 K N 6.686 126.934 120.400 -0.253 0.000 2.253 72 K HA 0.236 4.554 4.320 -0.004 0.000 0.277 72 K C -0.808 175.544 176.600 -0.412 0.000 1.053 72 K CA -0.455 55.467 56.287 -0.609 0.000 0.892 72 K CB 0.553 32.534 32.500 -0.866 0.000 1.102 72 K HN 0.586 nan 8.250 nan 0.000 0.469 73 I N 3.179 123.482 120.570 -0.444 0.000 2.354 73 I HA 0.139 4.306 4.170 -0.004 0.000 0.292 73 I C -0.361 175.529 176.117 -0.378 0.000 0.989 73 I CA -0.662 60.433 61.300 -0.342 0.000 1.188 73 I CB 2.017 39.839 38.000 -0.297 0.000 1.342 73 I HN 0.554 nan 8.210 nan 0.000 0.457 74 S N 7.601 123.109 115.700 -0.320 0.000 2.130 74 S HA 0.349 4.816 4.470 -0.004 0.000 0.165 74 S C -2.000 172.454 174.600 -0.243 0.000 1.677 74 S CA -0.883 57.157 58.200 -0.268 0.000 1.227 74 S CB 0.473 63.589 63.200 -0.140 0.000 1.115 74 S HN 0.549 nan 8.310 nan 0.000 0.452 75 P HA 0.527 nan 4.420 nan 0.000 0.333 75 P C 0.339 177.488 177.300 -0.252 0.000 1.370 75 P CA -0.427 62.494 63.100 -0.299 0.000 0.851 75 P CB 0.385 31.813 31.700 -0.453 0.000 2.082 76 F N -2.611 117.413 119.950 0.123 0.000 2.552 76 F HA -0.186 4.337 4.527 -0.008 0.000 0.588 76 F C 1.380 177.190 175.800 0.017 0.000 0.507 76 F CA 1.047 59.079 58.000 0.054 0.000 1.012 76 F CB -1.507 37.513 39.000 0.033 0.000 1.788 76 F HN 0.164 nan 8.300 nan 0.000 0.260 77 E N 0.483 120.796 120.200 0.189 0.000 2.463 77 E HA 0.172 4.520 4.350 -0.004 0.000 0.193 77 E C -0.659 175.652 176.600 -0.481 0.000 1.041 77 E CA 0.547 56.901 56.400 -0.076 0.000 0.879 77 E CB 0.126 29.789 29.700 -0.062 0.000 0.997 77 E HN 0.525 nan 8.360 nan 0.000 0.478 78 H N -0.315 118.705 119.070 -0.083 0.000 3.149 78 H HA 0.135 4.687 4.556 -0.006 0.000 0.334 78 H C 0.681 175.914 175.328 -0.158 0.000 1.000 78 H CA -0.436 55.456 56.048 -0.261 0.000 1.415 78 H CB 1.360 30.658 29.762 -0.773 0.000 1.819 78 H HN -0.237 nan 8.280 nan 0.000 0.486 79 Q N 1.827 121.609 119.800 -0.031 0.000 2.181 79 Q HA -0.140 4.198 4.340 -0.004 0.000 0.205 79 Q C 1.097 177.099 176.000 0.003 0.000 0.980 79 Q CA 2.149 57.950 55.803 -0.003 0.000 0.862 79 Q CB 0.171 28.897 28.738 -0.020 0.000 0.905 79 Q HN 0.740 nan 8.270 nan 0.000 0.429 80 T N 0.018 114.551 114.554 -0.036 0.000 2.777 80 T HA -0.113 4.234 4.350 -0.004 0.000 0.266 80 T C 1.558 176.323 174.700 0.107 0.000 1.040 80 T CA 1.201 63.299 62.100 -0.003 0.000 1.141 80 T CB -0.341 68.498 68.868 -0.047 0.000 0.868 80 T HN 0.454 nan 8.240 nan 0.000 0.444 81 Y N 0.198 120.493 120.300 -0.009 0.000 2.224 81 Y HA -0.191 4.357 4.550 -0.003 0.000 0.289 81 Y C 3.070 178.933 175.900 -0.062 0.000 1.146 81 Y CA 0.194 58.261 58.100 -0.054 0.000 1.182 81 Y CB -0.439 37.970 38.460 -0.085 0.000 0.983 81 Y HN 0.275 nan 8.280 nan 0.000 0.524 82 C N 0.226 119.603 119.300 0.129 0.000 2.413 82 C HA -0.228 4.230 4.460 -0.004 0.000 0.276 82 C C 2.638 177.645 174.990 0.028 0.000 1.248 82 C CA 1.123 60.181 59.018 0.066 0.000 1.742 82 C CB -1.097 26.710 27.740 0.112 0.000 2.017 82 C HN 0.581 nan 8.230 nan 0.000 0.481 83 Q N 0.338 120.150 119.800 0.018 0.000 1.993 83 Q HA -0.180 4.157 4.340 -0.004 0.000 0.202 83 Q C 2.473 178.441 176.000 -0.053 0.000 0.984 83 Q CA 1.504 57.286 55.803 -0.035 0.000 0.837 83 Q CB -0.298 28.422 28.738 -0.030 0.000 0.902 83 Q HN 0.646 nan 8.270 nan 0.000 0.423 84 R N -0.069 120.434 120.500 0.005 0.000 2.117 84 R HA -0.123 4.214 4.340 -0.004 0.000 0.243 84 R C 2.346 178.640 176.300 -0.011 0.000 1.143 84 R CA 1.714 57.829 56.100 0.026 0.000 0.968 84 R CB -0.464 29.901 30.300 0.109 0.000 0.863 84 R HN 0.259 nan 8.270 nan 0.000 0.444 85 T N 1.463 116.001 114.554 -0.027 0.000 2.777 85 T HA -0.087 4.260 4.350 -0.004 0.000 0.266 85 T C 1.726 176.374 174.700 -0.085 0.000 1.040 85 T CA 0.922 62.977 62.100 -0.075 0.000 1.141 85 T CB -0.144 68.658 68.868 -0.111 0.000 0.868 85 T HN 0.099 nan 8.240 nan 0.000 0.444 86 L N 1.351 122.527 121.223 -0.077 0.000 2.056 86 L HA -0.005 4.333 4.340 -0.004 0.000 0.207 86 L C 2.445 179.216 176.870 -0.166 0.000 1.078 86 L CA 1.643 56.426 54.840 -0.095 0.000 0.749 86 L CB -0.346 41.659 42.059 -0.090 0.000 0.901 86 L HN 0.069 nan 8.230 nan 0.000 0.433 87 R N -0.460 119.908 120.500 -0.221 0.000 2.073 87 R HA -0.192 4.145 4.340 -0.004 0.000 0.234 87 R C 2.220 178.432 176.300 -0.146 0.000 1.134 87 R CA 1.607 57.536 56.100 -0.284 0.000 0.952 87 R CB -0.638 29.490 30.300 -0.287 0.000 0.850 87 R HN 0.541 nan 8.270 nan 0.000 0.433 88 E N 1.326 121.455 120.200 -0.118 0.000 2.033 88 E HA -0.223 4.125 4.350 -0.004 0.000 0.199 88 E C 2.044 178.544 176.600 -0.167 0.000 1.011 88 E CA 1.450 57.774 56.400 -0.126 0.000 0.815 88 E CB -0.071 29.537 29.700 -0.153 0.000 0.755 88 E HN 0.256 nan 8.360 nan 0.000 0.451 89 I N 0.696 121.183 120.570 -0.139 0.000 2.118 89 I HA -0.352 3.816 4.170 -0.004 0.000 0.241 89 I C 2.798 178.847 176.117 -0.112 0.000 1.070 89 I CA 1.608 62.837 61.300 -0.118 0.000 1.327 89 I CB -0.493 37.460 38.000 -0.078 0.000 1.034 89 I HN 0.302 nan 8.210 nan 0.000 0.405 90 Q N 0.389 120.126 119.800 -0.105 0.000 2.096 90 Q HA -0.208 4.129 4.340 -0.004 0.000 0.204 90 Q C 2.295 178.199 176.000 -0.159 0.000 0.982 90 Q CA 1.634 57.379 55.803 -0.096 0.000 0.850 90 Q CB -0.062 28.645 28.738 -0.052 0.000 0.901 90 Q HN 0.576 nan 8.270 nan 0.000 0.422 91 I N -0.176 120.268 120.570 -0.211 0.000 2.162 91 I HA -0.247 3.920 4.170 -0.004 0.000 0.238 91 I C 1.875 177.646 176.117 -0.577 0.000 1.076 91 I CA 0.587 61.620 61.300 -0.444 0.000 1.353 91 I CB -0.220 37.472 38.000 -0.514 0.000 1.063 91 I HN 0.189 nan 8.210 nan 0.000 0.408 92 L N 0.472 121.416 121.223 -0.465 0.000 2.187 92 L HA -0.189 4.148 4.340 -0.004 0.000 0.213 92 L C 2.311 179.119 176.870 -0.103 0.000 1.100 92 L CA 1.690 56.342 54.840 -0.314 0.000 0.765 92 L CB -0.818 41.081 42.059 -0.267 0.000 0.904 92 L HN 0.242 nan 8.230 nan 0.000 0.437 93 L N -1.413 119.764 121.223 -0.076 0.000 2.156 93 L HA -0.143 4.195 4.340 -0.004 0.000 0.208 93 L C 2.342 179.258 176.870 0.077 0.000 1.095 93 L CA 0.893 55.754 54.840 0.035 0.000 0.770 93 L CB -0.206 41.887 42.059 0.056 0.000 0.914 93 L HN 0.245 nan 8.230 nan 0.000 0.439 94 R N -1.581 118.954 120.500 0.058 0.000 2.280 94 R HA 0.084 4.421 4.340 -0.004 0.000 0.195 94 R C -0.045 176.529 176.300 0.457 0.000 0.935 94 R CA -0.108 56.118 56.100 0.210 0.000 1.033 94 R CB 0.303 30.712 30.300 0.181 0.000 0.964 94 R HN 0.005 nan 8.270 nan 0.000 0.489 95 F N 0.884 120.942 119.950 0.180 0.000 2.377 95 F HA 0.423 4.949 4.527 -0.002 0.000 0.328 95 F C 0.720 176.643 175.800 0.206 0.000 1.094 95 F CA -1.125 57.024 58.000 0.249 0.000 1.093 95 F CB 0.921 40.024 39.000 0.173 0.000 1.214 95 F HN -0.247 nan 8.300 nan 0.000 0.518 96 R N 2.862 123.598 120.500 0.392 0.000 2.772 96 R HA 0.204 4.541 4.340 -0.004 0.000 0.288 96 R C -2.001 174.180 176.300 -0.199 0.000 1.365 96 R CA -0.257 55.907 56.100 0.107 0.000 1.023 96 R CB 0.790 31.150 30.300 0.101 0.000 1.261 96 R HN 0.885 nan 8.270 nan 0.000 0.422 97 H N 2.339 121.211 119.070 -0.331 0.000 3.123 97 H HA 0.139 4.692 4.556 -0.004 0.000 0.346 97 H C -0.118 175.066 175.328 -0.239 0.000 1.138 97 H CA -0.201 55.534 56.048 -0.523 0.000 1.273 97 H CB 1.553 30.706 29.762 -1.014 0.000 1.926 97 H HN 0.596 nan 8.280 nan 0.000 0.524 98 E N 2.349 122.298 120.200 -0.419 0.000 2.130 98 E HA -0.194 4.154 4.350 -0.004 0.000 0.196 98 E C 0.259 176.878 176.600 0.032 0.000 0.998 98 E CA 1.601 57.896 56.400 -0.176 0.000 0.806 98 E CB 0.087 29.639 29.700 -0.246 0.000 0.738 98 E HN 0.484 nan 8.360 nan 0.000 0.459 99 N N 0.119 118.993 118.700 0.289 0.000 2.346 99 N HA 0.082 4.819 4.740 -0.004 0.000 0.225 99 N C -1.318 174.279 175.510 0.146 0.000 1.144 99 N CA -0.074 53.084 53.050 0.180 0.000 0.837 99 N CB 1.007 39.569 38.487 0.125 0.000 1.069 99 N HN -0.145 nan 8.380 nan 0.000 0.487 100 V N 2.062 122.085 119.914 0.181 0.000 2.623 100 V HA 0.252 4.369 4.120 -0.004 0.000 0.304 100 V C -0.312 175.865 176.094 0.138 0.000 1.054 100 V CA -1.220 61.190 62.300 0.183 0.000 0.882 100 V CB 1.879 33.827 31.823 0.208 0.000 1.002 100 V HN 0.142 nan 8.190 nan 0.000 0.424 101 I N 2.708 123.359 120.570 0.136 0.000 2.598 101 I HA 0.563 4.730 4.170 -0.004 0.000 0.284 101 I C 0.566 176.711 176.117 0.047 0.000 1.140 101 I CA 0.661 62.006 61.300 0.076 0.000 1.420 101 I CB 0.409 38.449 38.000 0.068 0.000 1.387 101 I HN 0.616 nan 8.210 nan 0.000 0.553 102 G N 6.597 115.415 108.800 0.029 0.000 2.568 102 G HA2 0.669 4.626 3.960 -0.004 0.000 0.293 102 G HA3 0.669 4.626 3.960 -0.004 0.000 0.293 102 G C -0.473 174.416 174.900 -0.018 0.000 1.347 102 G CA -0.977 44.135 45.100 0.020 0.000 1.039 102 G HN 0.705 nan 8.290 nan 0.000 0.523 103 I N 0.694 121.250 120.570 -0.022 0.000 2.410 103 I HA 0.311 4.479 4.170 -0.004 0.000 0.286 103 I C 0.985 177.065 176.117 -0.061 0.000 1.009 103 I CA -0.862 60.388 61.300 -0.084 0.000 1.111 103 I CB 2.294 40.208 38.000 -0.144 0.000 1.262 103 I HN 0.386 nan 8.210 nan 0.000 0.443 104 R N 2.467 122.922 120.500 -0.075 0.000 2.075 104 R HA 0.093 4.430 4.340 -0.004 0.000 0.226 104 R C 0.008 176.283 176.300 -0.041 0.000 1.114 104 R CA 0.975 57.066 56.100 -0.016 0.000 0.972 104 R CB -0.254 30.043 30.300 -0.006 0.000 0.869 104 R HN 0.734 nan 8.270 nan 0.000 0.437 105 D N -1.939 118.318 120.400 -0.239 0.000 2.671 105 D HA 0.370 5.007 4.640 -0.004 0.000 0.273 105 D C -1.548 174.399 176.300 -0.588 0.000 1.264 105 D CA -0.550 53.200 54.000 -0.416 0.000 0.788 105 D CB 1.455 42.236 40.800 -0.031 0.000 1.324 105 D HN -0.112 nan 8.370 nan 0.000 0.424 106 I N 1.688 121.873 120.570 -0.642 0.000 2.512 106 I HA 0.364 4.531 4.170 -0.004 0.000 0.287 106 I C -1.133 174.932 176.117 -0.086 0.000 1.069 106 I CA -0.789 60.289 61.300 -0.368 0.000 1.056 106 I CB 1.542 39.273 38.000 -0.449 0.000 1.229 106 I HN 0.219 nan 8.210 nan 0.000 0.429 107 L N 7.120 128.352 121.223 0.015 0.000 2.317 107 L HA 0.752 5.090 4.340 -0.004 0.000 0.281 107 L C -0.001 176.973 176.870 0.173 0.000 1.024 107 L CA -0.279 54.614 54.840 0.087 0.000 0.810 107 L CB 1.200 43.283 42.059 0.040 0.000 1.240 107 L HN 0.625 nan 8.230 nan 0.000 0.427 108 R N 2.410 122.996 120.500 0.143 0.000 2.741 108 R HA 0.751 5.088 4.340 -0.004 0.000 0.276 108 R C -1.607 174.784 176.300 0.152 0.000 1.028 108 R CA -0.478 55.731 56.100 0.182 0.000 0.865 108 R CB 1.004 31.403 30.300 0.165 0.000 1.268 108 R HN 0.638 nan 8.270 nan 0.000 0.475 109 A N 1.028 123.958 122.820 0.183 0.000 2.498 109 A HA 0.206 4.524 4.320 -0.004 0.000 0.239 109 A C 1.199 178.908 177.584 0.208 0.000 1.068 109 A CA 0.367 52.503 52.037 0.166 0.000 0.766 109 A CB 0.149 19.238 19.000 0.149 0.000 1.003 109 A HN 0.859 nan 8.150 nan 0.000 0.497 110 S N 0.719 116.512 115.700 0.156 0.000 2.561 110 S HA 0.061 4.529 4.470 -0.004 0.000 0.225 110 S C 0.772 175.535 174.600 0.271 0.000 0.977 110 S CA 0.841 59.139 58.200 0.164 0.000 0.926 110 S CB -0.391 62.864 63.200 0.093 0.000 0.769 110 S HN 1.162 nan 8.310 nan 0.000 0.533 111 T N 0.664 115.356 114.554 0.230 0.000 2.812 111 T HA 0.460 4.808 4.350 -0.004 0.000 0.282 111 T C 0.715 175.395 174.700 -0.032 0.000 0.990 111 T CA -0.907 61.261 62.100 0.113 0.000 0.960 111 T CB 1.095 69.983 68.868 0.033 0.000 0.948 111 T HN 0.171 nan 8.240 nan 0.000 0.438 112 L N 3.251 124.225 121.223 -0.415 0.000 1.990 112 L HA -0.137 4.200 4.340 -0.004 0.000 0.213 112 L C 2.223 178.871 176.870 -0.369 0.000 1.072 112 L CA 2.157 56.544 54.840 -0.754 0.000 0.755 112 L CB -0.301 41.234 42.059 -0.874 0.000 0.889 112 L HN 0.767 nan 8.230 nan 0.000 0.432 113 E N 0.340 120.392 120.200 -0.247 0.000 2.097 113 E HA -0.217 4.131 4.350 -0.004 0.000 0.196 113 E C 1.978 178.510 176.600 -0.112 0.000 1.000 113 E CA 1.619 57.922 56.400 -0.163 0.000 0.804 113 E CB -0.460 29.174 29.700 -0.111 0.000 0.740 113 E HN 0.597 nan 8.360 nan 0.000 0.454 114 A N 0.390 123.169 122.820 -0.068 0.000 2.169 114 A HA 0.090 4.407 4.320 -0.004 0.000 0.212 114 A C 1.205 178.794 177.584 0.009 0.000 1.153 114 A CA -0.063 51.964 52.037 -0.015 0.000 0.756 114 A CB -0.440 18.570 19.000 0.016 0.000 0.813 114 A HN 0.281 nan 8.150 nan 0.000 0.471 115 M N 0.338 119.928 119.600 -0.017 0.000 2.364 115 M HA 0.149 4.627 4.480 -0.004 0.000 0.342 115 M C 0.747 177.059 176.300 0.020 0.000 1.601 115 M CA 0.158 55.480 55.300 0.037 0.000 1.156 115 M CB 0.481 33.113 32.600 0.054 0.000 1.912 115 M HN 0.153 nan 8.290 nan 0.000 0.460 116 R N 2.296 122.892 120.500 0.161 0.000 2.221 116 R HA 0.239 4.577 4.340 -0.004 0.000 0.195 116 R C -0.856 175.683 176.300 0.398 0.000 0.956 116 R CA 0.904 57.151 56.100 0.246 0.000 1.064 116 R CB 0.491 30.882 30.300 0.151 0.000 1.049 116 R HN 0.862 nan 8.270 nan 0.000 0.534 117 D N -2.397 118.172 120.400 0.282 0.000 2.596 117 D HA 0.397 5.035 4.640 -0.004 0.000 0.262 117 D C -1.305 175.010 176.300 0.025 0.000 1.210 117 D CA -0.847 53.194 54.000 0.069 0.000 0.873 117 D CB 1.661 42.331 40.800 -0.218 0.000 1.408 117 D HN -0.259 nan 8.370 nan 0.000 0.441 118 V N 0.212 120.013 119.914 -0.188 0.000 2.555 118 V HA 0.435 4.552 4.120 -0.004 0.000 0.302 118 V C -1.303 174.583 176.094 -0.348 0.000 1.038 118 V CA -0.731 61.495 62.300 -0.123 0.000 0.887 118 V CB 1.206 32.994 31.823 -0.058 0.000 0.991 118 V HN 0.522 nan 8.190 nan 0.000 0.434 119 Y N 4.295 124.520 120.300 -0.126 0.000 2.356 119 Y HA 0.615 5.163 4.550 -0.003 0.000 0.334 119 Y C -0.173 175.610 175.900 -0.195 0.000 0.958 119 Y CA -0.731 57.260 58.100 -0.182 0.000 1.196 119 Y CB 1.372 39.724 38.460 -0.181 0.000 1.137 119 Y HN 0.452 nan 8.280 nan 0.000 0.485 120 I N 4.418 124.929 120.570 -0.098 0.000 2.304 120 I HA 0.229 4.397 4.170 -0.004 0.000 0.291 120 I C -0.356 175.671 176.117 -0.151 0.000 1.018 120 I CA -0.614 60.595 61.300 -0.153 0.000 1.260 120 I CB 0.818 38.721 38.000 -0.163 0.000 1.390 120 I HN 0.226 nan 8.210 nan 0.000 0.475 121 V N 7.243 127.039 119.914 -0.196 0.000 2.383 121 V HA 0.440 4.557 4.120 -0.004 0.000 0.275 121 V C 0.086 176.088 176.094 -0.152 0.000 1.036 121 V CA -0.466 61.706 62.300 -0.214 0.000 0.889 121 V CB 0.783 32.436 31.823 -0.283 0.000 0.985 121 V HN 0.729 nan 8.190 nan 0.000 0.459 122 Q N 2.061 121.791 119.800 -0.116 0.000 2.484 122 Q HA 0.430 4.768 4.340 -0.004 0.000 0.285 122 Q C -1.128 174.841 176.000 -0.052 0.000 1.097 122 Q CA -1.049 54.709 55.803 -0.075 0.000 0.802 122 Q CB 2.046 30.743 28.738 -0.068 0.000 1.444 122 Q HN 0.604 nan 8.270 nan 0.000 0.429 123 D N 1.341 121.723 120.400 -0.030 0.000 2.488 123 D HA 0.021 4.659 4.640 -0.004 0.000 0.238 123 D C -0.531 175.756 176.300 -0.020 0.000 1.138 123 D CA 0.482 54.472 54.000 -0.017 0.000 0.873 123 D CB 0.764 41.560 40.800 -0.007 0.000 1.183 123 D HN 0.306 nan 8.370 nan 0.000 0.458 124 L N 2.809 124.023 121.223 -0.015 0.000 2.319 124 L HA 0.135 4.472 4.340 -0.004 0.000 0.280 124 L C -0.071 176.792 176.870 -0.011 0.000 1.099 124 L CA -0.293 54.538 54.840 -0.016 0.000 0.828 124 L CB 0.761 42.816 42.059 -0.007 0.000 1.150 124 L HN 0.222 nan 8.230 nan 0.000 0.442 125 M N 2.725 122.314 119.600 -0.019 0.000 2.472 125 M HA 0.245 4.722 4.480 -0.004 0.000 0.331 125 M C 0.873 177.163 176.300 -0.018 0.000 1.170 125 M CA -0.240 55.049 55.300 -0.018 0.000 1.009 125 M CB 1.534 34.117 32.600 -0.028 0.000 1.672 125 M HN 0.432 nan 8.290 nan 0.000 0.453 126 E N 0.354 120.547 120.200 -0.011 0.000 2.028 126 E HA -0.014 4.334 4.350 -0.004 0.000 0.191 126 E C 0.589 177.180 176.600 -0.015 0.000 0.988 126 E CA 1.044 57.440 56.400 -0.007 0.000 0.799 126 E CB -0.236 29.465 29.700 0.003 0.000 0.755 126 E HN 0.708 nan 8.360 nan 0.000 0.447 127 T N -0.217 114.322 114.554 -0.025 0.000 2.618 127 T HA 0.294 4.642 4.350 -0.004 0.000 0.286 127 T C -1.878 172.792 174.700 -0.050 0.000 1.027 127 T CA -0.564 61.519 62.100 -0.028 0.000 1.063 127 T CB 1.523 70.380 68.868 -0.018 0.000 1.440 127 T HN 0.145 nan 8.240 nan 0.000 0.505 128 D N 0.520 120.896 120.400 -0.040 0.000 2.493 128 D HA 0.262 4.899 4.640 -0.004 0.000 0.239 128 D C 0.904 177.165 176.300 -0.065 0.000 1.049 128 D CA -0.751 53.215 54.000 -0.056 0.000 1.008 128 D CB 0.888 41.678 40.800 -0.016 0.000 1.398 128 D HN 0.471 nan 8.370 nan 0.000 0.513 129 L N 0.638 121.801 121.223 -0.100 0.000 2.201 129 L HA -0.151 4.186 4.340 -0.004 0.000 0.212 129 L C 1.861 178.733 176.870 0.003 0.000 1.105 129 L CA 1.141 55.911 54.840 -0.117 0.000 0.775 129 L CB -0.449 41.515 42.059 -0.158 0.000 0.913 129 L HN 0.542 nan 8.230 nan 0.000 0.440 130 Y N 1.110 121.378 120.300 -0.054 0.000 2.200 130 Y HA -0.246 4.302 4.550 -0.004 0.000 0.290 130 Y C 2.509 178.414 175.900 0.008 0.000 1.137 130 Y CA 1.737 59.836 58.100 -0.002 0.000 1.163 130 Y CB -0.060 38.402 38.460 0.004 0.000 0.988 130 Y HN 0.057 nan 8.280 nan 0.000 0.518 131 K N 0.150 120.659 120.400 0.182 0.000 2.097 131 K HA -0.152 4.165 4.320 -0.004 0.000 0.205 131 K C 2.161 178.753 176.600 -0.012 0.000 1.050 131 K CA 1.492 57.835 56.287 0.094 0.000 0.938 131 K CB -0.376 32.185 32.500 0.101 0.000 0.718 131 K HN 0.393 nan 8.250 nan 0.000 0.442 132 L N 1.310 122.522 121.223 -0.018 0.000 2.056 132 L HA -0.154 4.184 4.340 -0.004 0.000 0.207 132 L C 2.106 178.958 176.870 -0.030 0.000 1.078 132 L CA 1.173 56.000 54.840 -0.021 0.000 0.749 132 L CB -0.116 41.928 42.059 -0.025 0.000 0.901 132 L HN 0.192 nan 8.230 nan 0.000 0.433 133 L N -0.338 120.848 121.223 -0.061 0.000 2.191 133 L HA -0.200 4.137 4.340 -0.004 0.000 0.212 133 L C 2.484 179.296 176.870 -0.098 0.000 1.103 133 L CA 0.819 55.621 54.840 -0.064 0.000 0.769 133 L CB -0.478 41.533 42.059 -0.080 0.000 0.908 133 L HN 0.199 nan 8.230 nan 0.000 0.438 134 K N -0.894 119.409 120.400 -0.160 0.000 2.296 134 K HA -0.016 4.301 4.320 -0.004 0.000 0.200 134 K C 2.244 178.810 176.600 -0.056 0.000 1.048 134 K CA 0.834 57.037 56.287 -0.139 0.000 0.966 134 K CB 0.215 32.597 32.500 -0.196 0.000 0.754 134 K HN 0.156 nan 8.250 nan 0.000 0.466 135 S N 0.265 115.944 115.700 -0.036 0.000 2.468 135 S HA -0.010 4.458 4.470 -0.004 0.000 0.226 135 S C 0.532 175.133 174.600 0.001 0.000 1.051 135 S CA -0.000 58.194 58.200 -0.009 0.000 0.943 135 S CB 0.347 63.546 63.200 -0.001 0.000 0.810 135 S HN 0.429 nan 8.310 nan 0.000 0.509 136 Q N -0.003 119.800 119.800 0.005 0.000 2.511 136 Q HA 0.462 4.800 4.340 -0.004 0.000 0.289 136 Q C -1.294 174.727 176.000 0.036 0.000 1.021 136 Q CA -0.983 54.832 55.803 0.020 0.000 0.785 136 Q CB 1.034 29.784 28.738 0.021 0.000 1.472 136 Q HN 0.189 nan 8.270 nan 0.000 0.411 137 Q N 1.759 121.589 119.800 0.049 0.000 2.294 137 Q HA 0.376 4.714 4.340 -0.004 0.000 0.257 137 Q C -1.075 174.990 176.000 0.108 0.000 0.955 137 Q CA -0.391 55.453 55.803 0.068 0.000 0.936 137 Q CB 0.768 29.542 28.738 0.060 0.000 1.188 137 Q HN 0.626 nan 8.270 nan 0.000 0.420 138 L N 2.724 124.029 121.223 0.136 0.000 2.417 138 L HA 0.261 4.598 4.340 -0.004 0.000 0.268 138 L C 0.650 177.651 176.870 0.219 0.000 1.158 138 L CA -0.457 54.523 54.840 0.232 0.000 0.819 138 L CB 1.117 43.319 42.059 0.238 0.000 1.112 138 L HN 0.749 nan 8.230 nan 0.000 0.458 139 S N 0.358 116.232 115.700 0.290 0.000 2.669 139 S HA 0.076 4.544 4.470 -0.004 0.000 0.270 139 S C 0.683 175.276 174.600 -0.012 0.000 1.225 139 S CA -0.591 57.627 58.200 0.031 0.000 0.991 139 S CB 1.122 64.200 63.200 -0.202 0.000 0.987 139 S HN 0.665 nan 8.310 nan 0.000 0.552 140 N N 0.697 119.388 118.700 -0.016 0.000 2.364 140 N HA -0.123 4.614 4.740 -0.004 0.000 0.183 140 N C 0.976 176.487 175.510 0.002 0.000 1.022 140 N CA 1.516 54.595 53.050 0.048 0.000 0.883 140 N CB -0.372 38.158 38.487 0.072 0.000 0.965 140 N HN 0.637 nan 8.380 nan 0.000 0.438 141 D N -0.739 119.569 120.400 -0.154 0.000 2.103 141 D HA -0.127 4.510 4.640 -0.004 0.000 0.199 141 D C 1.438 177.632 176.300 -0.176 0.000 0.978 141 D CA 0.943 54.822 54.000 -0.203 0.000 0.829 141 D CB -0.319 40.279 40.800 -0.337 0.000 0.981 141 D HN 0.502 nan 8.370 nan 0.000 0.464 142 H N 1.121 120.139 119.070 -0.086 0.000 2.321 142 H HA -0.018 4.536 4.556 -0.004 0.000 0.300 142 H C 2.595 177.774 175.328 -0.249 0.000 1.087 142 H CA 0.489 56.372 56.048 -0.275 0.000 1.319 142 H CB -0.478 29.165 29.762 -0.199 0.000 1.379 142 H HN 0.184 nan 8.280 nan 0.000 0.501 143 I N 0.237 120.872 120.570 0.109 0.000 2.118 143 I HA -0.350 3.818 4.170 -0.004 0.000 0.241 143 I C 3.030 179.264 176.117 0.195 0.000 1.070 143 I CA 1.347 62.757 61.300 0.184 0.000 1.327 143 I CB -0.379 37.732 38.000 0.186 0.000 1.034 143 I HN 0.285 nan 8.210 nan 0.000 0.405 144 C N 0.191 119.587 119.300 0.160 0.000 2.413 144 C HA -0.269 4.189 4.460 -0.004 0.000 0.276 144 C C 2.908 178.022 174.990 0.207 0.000 1.236 144 C CA 1.000 60.063 59.018 0.076 0.000 1.735 144 C CB -1.020 26.603 27.740 -0.195 0.000 2.031 144 C HN 0.575 nan 8.230 nan 0.000 0.474 145 Y N 0.646 120.900 120.300 -0.077 0.000 2.181 145 Y HA -0.067 4.481 4.550 -0.004 0.000 0.288 145 Y C 2.029 177.869 175.900 -0.100 0.000 1.146 145 Y CA 1.757 59.621 58.100 -0.394 0.000 1.164 145 Y CB -0.979 37.188 38.460 -0.488 0.000 0.982 145 Y HN 0.369 nan 8.280 nan 0.000 0.515 146 F N -0.896 119.023 119.950 -0.052 0.000 2.186 146 F HA -0.159 4.365 4.527 -0.004 0.000 0.299 146 F C 2.270 178.016 175.800 -0.091 0.000 1.090 146 F CA 0.874 58.789 58.000 -0.142 0.000 1.307 146 F CB -1.445 37.530 39.000 -0.041 0.000 1.019 146 F HN 0.130 nan 8.300 nan 0.000 0.489 147 L N -0.663 120.677 121.223 0.194 0.000 2.017 147 L HA -0.249 4.089 4.340 -0.004 0.000 0.208 147 L C 2.394 179.328 176.870 0.107 0.000 1.073 147 L CA 1.729 56.652 54.840 0.139 0.000 0.745 147 L CB -1.287 40.890 42.059 0.196 0.000 0.894 147 L HN 0.220 nan 8.230 nan 0.000 0.432 148 Y N 0.427 120.743 120.300 0.027 0.000 2.030 148 Y HA -0.368 4.180 4.550 -0.003 0.000 0.274 148 Y C 2.607 178.486 175.900 -0.035 0.000 1.153 148 Y CA 2.422 60.539 58.100 0.028 0.000 1.115 148 Y CB -0.721 37.745 38.460 0.011 0.000 0.969 148 Y HN 0.374 nan 8.280 nan 0.000 0.488 149 Q N -0.024 119.596 119.800 -0.301 0.000 2.077 149 Q HA -0.242 4.096 4.340 -0.004 0.000 0.206 149 Q C 2.381 178.234 176.000 -0.246 0.000 0.989 149 Q CA 2.468 58.055 55.803 -0.360 0.000 0.853 149 Q CB -0.426 28.137 28.738 -0.291 0.000 0.907 149 Q HN 0.612 nan 8.270 nan 0.000 0.418 150 I N 0.563 121.039 120.570 -0.156 0.000 2.208 150 I HA -0.311 3.857 4.170 -0.004 0.000 0.245 150 I C 2.187 178.210 176.117 -0.157 0.000 1.097 150 I CA 1.182 62.401 61.300 -0.135 0.000 1.363 150 I CB -0.285 37.658 38.000 -0.095 0.000 1.051 150 I HN 0.194 nan 8.210 nan 0.000 0.413 151 L N 0.019 121.152 121.223 -0.150 0.000 2.156 151 L HA -0.145 4.193 4.340 -0.004 0.000 0.208 151 L C 2.708 179.471 176.870 -0.179 0.000 1.095 151 L CA 1.004 55.764 54.840 -0.133 0.000 0.770 151 L CB -0.505 41.522 42.059 -0.053 0.000 0.914 151 L HN 0.193 nan 8.230 nan 0.000 0.439 152 R N 0.242 120.569 120.500 -0.289 0.000 2.115 152 R HA -0.102 4.235 4.340 -0.004 0.000 0.230 152 R C 2.165 178.351 176.300 -0.189 0.000 1.111 152 R CA 1.269 57.227 56.100 -0.237 0.000 0.976 152 R CB -0.224 29.832 30.300 -0.406 0.000 0.870 152 R HN 0.353 nan 8.270 nan 0.000 0.445 153 G N 0.642 109.287 108.800 -0.259 0.000 2.408 153 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.213 153 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.213 153 G C 1.392 176.103 174.900 -0.314 0.000 1.177 153 G CA 0.042 44.882 45.100 -0.434 0.000 0.802 153 G HN 0.225 nan 8.290 nan 0.000 0.533 154 L N 0.417 121.487 121.223 -0.254 0.000 2.043 154 L HA -0.130 4.208 4.340 -0.004 0.000 0.212 154 L C 2.863 179.513 176.870 -0.368 0.000 1.075 154 L CA 2.089 56.721 54.840 -0.347 0.000 0.752 154 L CB -0.274 41.585 42.059 -0.334 0.000 0.891 154 L HN 0.290 nan 8.230 nan 0.000 0.432 155 K N -0.832 119.447 120.400 -0.203 0.000 2.009 155 K HA -0.307 4.011 4.320 -0.004 0.000 0.210 155 K C 2.240 178.781 176.600 -0.098 0.000 1.049 155 K CA 2.157 58.392 56.287 -0.085 0.000 0.929 155 K CB -0.537 31.961 32.500 -0.003 0.000 0.714 155 K HN 0.238 nan 8.250 nan 0.000 0.440 156 Y N 1.813 121.938 120.300 -0.292 0.000 2.151 156 Y HA -0.270 4.278 4.550 -0.003 0.000 0.284 156 Y C 2.006 177.649 175.900 -0.428 0.000 1.166 156 Y CA 1.884 59.769 58.100 -0.359 0.000 1.163 156 Y CB -0.297 37.811 38.460 -0.586 0.000 0.974 156 Y HN 0.221 nan 8.280 nan 0.000 0.511 157 I N -0.766 119.530 120.570 -0.456 0.000 2.202 157 I HA -0.366 3.802 4.170 -0.004 0.000 0.242 157 I C 2.178 178.220 176.117 -0.123 0.000 1.091 157 I CA 1.956 63.036 61.300 -0.367 0.000 1.368 157 I CB -0.512 37.501 38.000 0.022 0.000 1.058 157 I HN 0.335 nan 8.210 nan 0.000 0.410 158 H N 0.353 119.352 119.070 -0.118 0.000 2.421 158 H HA -0.153 4.401 4.556 -0.004 0.000 0.298 158 H C 2.583 177.833 175.328 -0.129 0.000 1.087 158 H CA 1.244 57.251 56.048 -0.070 0.000 1.330 158 H CB 0.037 29.782 29.762 -0.028 0.000 1.388 158 H HN 0.518 nan 8.280 nan 0.000 0.526 159 S N 0.836 116.491 115.700 -0.075 0.000 2.402 159 S HA -0.174 4.294 4.470 -0.004 0.000 0.233 159 S C 2.120 176.589 174.600 -0.217 0.000 1.030 159 S CA 0.922 59.038 58.200 -0.141 0.000 1.003 159 S CB -0.206 62.880 63.200 -0.190 0.000 0.813 159 S HN 0.431 nan 8.310 nan 0.000 0.477 160 A N 1.031 123.651 122.820 -0.334 0.000 2.302 160 A HA 0.340 4.657 4.320 -0.004 0.000 0.219 160 A C 0.692 178.142 177.584 -0.224 0.000 1.243 160 A CA 0.083 51.864 52.037 -0.425 0.000 0.856 160 A CB -0.645 17.933 19.000 -0.703 0.000 0.893 160 A HN 0.471 nan 8.150 nan 0.000 0.491 161 N N -1.469 117.173 118.700 -0.097 0.000 2.741 161 N HA -0.130 4.608 4.740 -0.004 0.000 0.250 161 N C -0.400 175.134 175.510 0.041 0.000 1.115 161 N CA 1.134 54.166 53.050 -0.029 0.000 0.724 161 N CB -1.917 36.544 38.487 -0.044 0.000 1.090 161 N HN 0.281 nan 8.380 nan 0.000 0.558 162 V N 0.660 120.648 119.914 0.122 0.000 2.612 162 V HA 0.531 4.648 4.120 -0.004 0.000 0.301 162 V C 0.703 176.982 176.094 0.308 0.000 1.046 162 V CA -0.674 61.768 62.300 0.238 0.000 0.946 162 V CB 2.041 34.093 31.823 0.382 0.000 1.003 162 V HN 0.103 nan 8.190 nan 0.000 0.459 163 L N 3.374 124.767 121.223 0.283 0.000 2.333 163 L HA 0.488 4.825 4.340 -0.004 0.000 0.280 163 L C 1.067 178.104 176.870 0.279 0.000 1.004 163 L CA -0.670 54.346 54.840 0.293 0.000 0.820 163 L CB 1.520 43.712 42.059 0.221 0.000 1.247 163 L HN 0.716 nan 8.230 nan 0.000 0.416 164 H N 4.427 123.582 119.070 0.141 0.000 2.333 164 H HA 0.020 4.574 4.556 -0.003 0.000 0.302 164 H C 0.873 176.208 175.328 0.012 0.000 1.075 164 H CA 1.697 57.723 56.048 -0.037 0.000 1.348 164 H CB 0.550 30.181 29.762 -0.218 0.000 1.393 164 H HN 0.650 nan 8.280 nan 0.000 0.509 165 R N -0.627 120.055 120.500 0.304 0.000 3.977 165 R HA -0.198 4.140 4.340 -0.004 0.000 0.428 165 R C -0.345 176.098 176.300 0.238 0.000 1.079 165 R CA 1.321 57.562 56.100 0.236 0.000 1.269 165 R CB -1.715 28.701 30.300 0.193 0.000 1.856 165 R HN 0.357 nan 8.270 nan 0.000 0.551 166 D N 0.435 121.082 120.400 0.412 0.000 2.908 166 D HA 0.254 4.892 4.640 -0.004 0.000 0.361 166 D C -0.462 175.803 176.300 -0.059 0.000 1.416 166 D CA -0.196 53.932 54.000 0.214 0.000 0.796 166 D CB 0.328 41.264 40.800 0.227 0.000 1.185 166 D HN 0.113 nan 8.370 nan 0.000 0.451 167 L N 1.774 122.819 121.223 -0.296 0.000 2.410 167 L HA 0.333 4.670 4.340 -0.004 0.000 0.273 167 L C 0.553 177.195 176.870 -0.380 0.000 1.152 167 L CA 0.290 54.833 54.840 -0.496 0.000 0.855 167 L CB 0.438 42.266 42.059 -0.386 0.000 1.129 167 L HN 0.117 nan 8.230 nan 0.000 0.463 168 K N 2.016 122.153 120.400 -0.438 0.000 2.658 168 K HA 0.382 4.700 4.320 -0.004 0.000 0.293 168 K C -2.822 173.592 176.600 -0.311 0.000 1.026 168 K CA -1.485 54.424 56.287 -0.630 0.000 0.871 168 K CB 1.162 33.041 32.500 -1.035 0.000 1.524 168 K HN -0.095 nan 8.250 nan 0.000 0.400 169 P HA -0.297 nan 4.420 nan 0.000 0.217 169 P C 1.266 178.562 177.300 -0.007 0.000 1.151 169 P CA 2.299 65.395 63.100 -0.006 0.000 0.849 169 P CB 0.072 31.878 31.700 0.177 0.000 0.787 170 S N -2.128 113.547 115.700 -0.041 0.000 2.428 170 S HA -0.037 4.430 4.470 -0.004 0.000 0.230 170 S C 1.533 176.079 174.600 -0.089 0.000 1.014 170 S CA 0.753 58.911 58.200 -0.070 0.000 0.957 170 S CB -1.000 62.096 63.200 -0.173 0.000 0.784 170 S HN 0.058 nan 8.310 nan 0.000 0.499 171 N N 1.488 120.117 118.700 -0.117 0.000 2.362 171 N HA 0.295 5.033 4.740 -0.004 0.000 0.211 171 N C -0.767 174.673 175.510 -0.116 0.000 1.170 171 N CA 0.210 53.202 53.050 -0.096 0.000 0.828 171 N CB 0.096 38.526 38.487 -0.095 0.000 1.034 171 N HN 0.505 nan 8.380 nan 0.000 0.475 172 L N 1.390 122.539 121.223 -0.123 0.000 2.433 172 L HA 0.397 4.735 4.340 -0.004 0.000 0.256 172 L C -0.259 176.522 176.870 -0.148 0.000 1.063 172 L CA -0.410 54.343 54.840 -0.146 0.000 0.922 172 L CB 1.043 42.992 42.059 -0.183 0.000 1.238 172 L HN -0.181 nan 8.230 nan 0.000 0.466 173 L N 3.700 124.858 121.223 -0.107 0.000 2.426 173 L HA 0.415 4.752 4.340 -0.004 0.000 0.271 173 L C -0.222 176.569 176.870 -0.132 0.000 1.169 173 L CA 0.150 54.931 54.840 -0.099 0.000 0.836 173 L CB 0.713 42.738 42.059 -0.056 0.000 1.112 173 L HN 0.438 nan 8.230 nan 0.000 0.465 174 I N 1.619 122.113 120.570 -0.127 0.000 2.722 174 I HA 0.311 4.478 4.170 -0.004 0.000 0.295 174 I C -0.691 175.400 176.117 -0.044 0.000 1.161 174 I CA -0.841 60.386 61.300 -0.122 0.000 1.032 174 I CB 2.165 40.015 38.000 -0.249 0.000 1.244 174 I HN 0.622 nan 8.210 nan 0.000 0.421 175 N N 0.704 119.405 118.700 0.003 0.000 2.502 175 N HA 0.277 5.015 4.740 -0.004 0.000 0.280 175 N C 0.854 176.393 175.510 0.048 0.000 1.223 175 N CA -0.265 52.797 53.050 0.021 0.000 0.966 175 N CB 0.389 38.892 38.487 0.026 0.000 1.203 175 N HN 0.697 nan 8.380 nan 0.000 0.565 176 T N -4.472 110.107 114.554 0.041 0.000 2.897 176 T HA -0.194 4.153 4.350 -0.004 0.000 0.271 176 T C 1.154 175.894 174.700 0.065 0.000 1.084 176 T CA 1.676 63.804 62.100 0.046 0.000 1.123 176 T CB -1.303 67.585 68.868 0.034 0.000 0.865 176 T HN 0.745 nan 8.240 nan 0.000 0.496 177 T N -2.351 112.250 114.554 0.078 0.000 3.206 177 T HA 0.346 4.693 4.350 -0.004 0.000 0.253 177 T C 1.106 175.901 174.700 0.159 0.000 1.042 177 T CA 0.076 62.233 62.100 0.095 0.000 0.931 177 T CB -1.334 67.582 68.868 0.080 0.000 1.029 177 T HN 0.574 nan 8.240 nan 0.000 0.564 178 C N 0.797 120.216 119.300 0.197 0.000 4.497 178 C HA -0.137 4.320 4.460 -0.004 0.000 0.268 178 C C 0.326 175.535 174.990 0.364 0.000 1.343 178 C CA -0.020 59.213 59.018 0.358 0.000 1.742 178 C CB -2.590 25.357 27.740 0.346 0.000 1.450 178 C HN 0.645 nan 8.230 nan 0.000 0.733 179 D N 0.160 120.674 120.400 0.191 0.000 2.399 179 D HA 0.536 5.173 4.640 -0.004 0.000 0.241 179 D C -0.029 176.288 176.300 0.029 0.000 1.133 179 D CA 0.435 54.495 54.000 0.099 0.000 0.890 179 D CB 0.701 41.538 40.800 0.063 0.000 1.201 179 D HN 0.601 nan 8.370 nan 0.000 0.432 180 L N 1.464 122.667 121.223 -0.034 0.000 2.408 180 L HA 0.466 4.803 4.340 -0.004 0.000 0.268 180 L C -1.198 175.633 176.870 -0.066 0.000 0.986 180 L CA -0.640 54.140 54.840 -0.099 0.000 0.820 180 L CB 1.310 43.274 42.059 -0.158 0.000 1.303 180 L HN 0.231 nan 8.230 nan 0.000 0.411 181 K N 5.216 125.583 120.400 -0.056 0.000 2.513 181 K HA 0.457 4.774 4.320 -0.004 0.000 0.251 181 K C -1.215 175.391 176.600 0.011 0.000 0.939 181 K CA -0.795 55.493 56.287 0.001 0.000 0.793 181 K CB 2.739 35.256 32.500 0.028 0.000 1.241 181 K HN 0.358 nan 8.250 nan 0.000 0.431 182 I N 1.585 122.189 120.570 0.058 0.000 2.813 182 I HA -0.066 4.102 4.170 -0.004 0.000 0.287 182 I C 0.445 176.674 176.117 0.187 0.000 1.196 182 I CA 0.264 61.607 61.300 0.073 0.000 1.421 182 I CB 0.365 38.427 38.000 0.104 0.000 1.365 182 I HN 0.620 nan 8.210 nan 0.000 0.591 183 C N 3.633 122.990 119.300 0.096 0.000 2.531 183 C HA 0.318 4.776 4.460 -0.004 0.000 0.369 183 C C -0.835 174.215 174.990 0.101 0.000 1.258 183 C CA -0.602 58.490 59.018 0.122 0.000 1.876 183 C CB 0.707 28.459 27.740 0.019 0.000 2.256 183 C HN 0.881 nan 8.230 nan 0.000 0.510 184 D N 1.491 121.898 120.400 0.011 0.000 7.839 184 D HA -0.198 4.440 4.640 -0.004 0.000 0.127 184 D C -0.375 175.665 176.300 -0.433 0.000 1.013 184 D CA 1.186 55.038 54.000 -0.247 0.000 0.897 184 D CB -0.270 40.320 40.800 -0.350 0.000 1.630 184 D HN 0.435 nan 8.370 nan 0.000 0.925 185 F N 0.511 120.177 119.950 -0.473 0.000 2.668 185 F HA 0.260 4.783 4.527 -0.006 0.000 0.297 185 F C 2.188 177.808 175.800 -0.300 0.000 1.124 185 F CA -0.249 57.482 58.000 -0.449 0.000 1.353 185 F CB 0.322 39.161 39.000 -0.270 0.000 0.992 185 F HN 0.428 nan 8.300 nan 0.000 0.524 186 G N 0.111 108.769 108.800 -0.237 0.000 2.462 186 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.220 186 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.220 186 G C 1.405 176.467 174.900 0.270 0.000 1.121 186 G CA 0.697 45.932 45.100 0.225 0.000 0.758 186 G HN 0.207 nan 8.290 nan 0.000 0.559 187 L N 0.640 121.973 121.223 0.182 0.000 2.667 187 L HA 0.455 4.792 4.340 -0.004 0.000 0.232 187 L C 1.536 178.454 176.870 0.079 0.000 1.138 187 L CA -0.773 54.133 54.840 0.109 0.000 0.921 187 L CB -0.852 41.267 42.059 0.101 0.000 1.180 187 L HN 0.205 nan 8.230 nan 0.000 0.487 188 A N 0.864 123.712 122.820 0.046 0.000 2.445 188 A HA 0.546 4.863 4.320 -0.004 0.000 0.242 188 A C 0.435 178.119 177.584 0.168 0.000 1.075 188 A CA 0.141 52.246 52.037 0.114 0.000 0.777 188 A CB 0.415 19.534 19.000 0.198 0.000 1.013 188 A HN 0.427 nan 8.150 nan 0.000 0.493 189 R N 0.462 121.086 120.500 0.206 0.000 2.747 189 R HA 0.468 4.806 4.340 -0.004 0.000 0.272 189 R C -1.250 175.161 176.300 0.185 0.000 1.032 189 R CA -1.025 55.199 56.100 0.206 0.000 0.896 189 R CB 0.838 31.184 30.300 0.077 0.000 1.253 189 R HN 0.546 nan 8.270 nan 0.000 0.461 190 I N 1.780 122.426 120.570 0.127 0.000 2.472 190 I HA 0.236 4.403 4.170 -0.004 0.000 0.290 190 I C 1.490 177.601 176.117 -0.010 0.000 1.016 190 I CA 0.078 61.406 61.300 0.048 0.000 1.348 190 I CB 1.027 39.017 38.000 -0.016 0.000 1.417 190 I HN 0.917 nan 8.210 nan 0.000 0.521 191 A N 4.877 127.707 122.820 0.016 0.000 3.202 191 A HA -0.179 4.138 4.320 -0.004 0.000 0.178 191 A C 0.524 178.119 177.584 0.019 0.000 0.773 191 A CA 1.712 53.765 52.037 0.028 0.000 1.176 191 A CB -0.587 18.418 19.000 0.007 0.000 0.777 191 A HN 0.931 nan 8.150 nan 0.000 0.527 192 D N -3.326 117.096 120.400 0.035 0.000 3.118 192 D HA -0.078 4.559 4.640 -0.004 0.000 0.249 192 D C -1.764 174.598 176.300 0.103 0.000 1.031 192 D CA 0.663 54.694 54.000 0.053 0.000 0.905 192 D CB -0.944 39.891 40.800 0.059 0.000 1.006 192 D HN 0.218 nan 8.370 nan 0.000 0.425 193 P HA -0.113 nan 4.420 nan 0.000 0.239 193 P C 1.163 178.475 177.300 0.020 0.000 1.184 193 P CA 0.730 63.870 63.100 0.066 0.000 0.760 193 P CB 0.277 31.996 31.700 0.032 0.000 0.884 194 E N 0.253 120.412 120.200 -0.069 0.000 2.152 194 E HA -0.156 4.192 4.350 -0.004 0.000 0.192 194 E C 0.625 177.054 176.600 -0.285 0.000 0.983 194 E CA 0.734 56.990 56.400 -0.240 0.000 0.818 194 E CB -0.124 29.316 29.700 -0.434 0.000 0.758 194 E HN 0.383 nan 8.360 nan 0.000 0.467 195 H N 0.360 119.528 119.070 0.163 0.000 2.490 195 H HA 0.118 4.679 4.556 0.009 0.000 0.285 195 H C 0.264 175.731 175.328 0.231 0.000 1.127 195 H CA -0.062 56.106 56.048 0.200 0.000 0.993 195 H CB 0.400 30.302 29.762 0.233 0.000 1.653 195 H HN 0.281 nan 8.280 nan 0.000 0.557 196 D N 0.148 120.680 120.400 0.220 0.000 2.271 196 D HA -0.109 4.529 4.640 -0.004 0.000 0.206 196 D C 0.587 176.907 176.300 0.032 0.000 0.967 196 D CA 0.165 54.217 54.000 0.087 0.000 0.867 196 D CB 0.484 41.336 40.800 0.086 0.000 0.960 196 D HN 0.375 nan 8.370 nan 0.000 0.509 197 H N 0.620 119.693 119.070 0.006 0.000 2.764 197 H HA 0.043 4.595 4.556 -0.006 0.000 0.341 197 H C 0.232 175.557 175.328 -0.004 0.000 1.072 197 H CA 1.038 57.084 56.048 -0.003 0.000 1.444 197 H CB 1.725 31.496 29.762 0.014 0.000 1.458 197 H HN -0.037 nan 8.280 nan 0.000 0.572 198 T N 2.246 116.573 114.554 -0.377 0.000 3.028 198 T HA 0.297 4.644 4.350 -0.004 0.000 0.262 198 T C 0.202 174.769 174.700 -0.222 0.000 0.916 198 T CA 0.764 62.744 62.100 -0.200 0.000 0.873 198 T CB -0.171 68.604 68.868 -0.156 0.000 1.232 198 T HN 1.102 nan 8.240 nan 0.000 0.529 199 G N 1.055 109.605 108.800 -0.417 0.000 2.570 199 G HA2 0.005 3.962 3.960 -0.004 0.000 0.686 199 G HA3 0.005 3.962 3.960 -0.004 0.000 0.686 199 G C -0.684 174.210 174.900 -0.011 0.000 1.257 199 G CA -0.559 44.454 45.100 -0.145 0.000 0.846 199 G HN 0.444 nan 8.290 nan 0.000 0.627 200 F N 1.216 121.111 119.950 -0.092 0.000 2.545 200 F HA 0.441 4.965 4.527 -0.005 0.000 0.348 200 F C 1.861 177.623 175.800 -0.064 0.000 1.163 200 F CA 0.081 58.040 58.000 -0.068 0.000 1.331 200 F CB 0.238 39.216 39.000 -0.038 0.000 1.138 200 F HN 0.706 nan 8.300 nan 0.000 0.602 201 L N 3.018 123.780 121.223 -0.768 0.000 3.941 201 L HA -0.259 4.079 4.340 -0.004 0.000 0.455 201 L C 0.146 176.806 176.870 -0.349 0.000 1.179 201 L CA 0.632 55.079 54.840 -0.655 0.000 0.782 201 L CB -2.181 39.288 42.059 -0.983 0.000 1.679 201 L HN 0.708 nan 8.230 nan 0.000 0.871 202 T N -2.380 112.077 114.554 -0.162 0.000 2.743 202 T HA 0.487 4.835 4.350 -0.004 0.000 0.292 202 T C 0.580 175.255 174.700 -0.041 0.000 0.972 202 T CA -0.908 61.117 62.100 -0.125 0.000 0.967 202 T CB 1.289 70.103 68.868 -0.090 0.000 0.926 202 T HN 0.365 nan 8.240 nan 0.000 0.459 206 A N 1.647 124.473 122.820 0.010 0.000 2.583 206 A HA 0.357 4.674 4.320 -0.004 0.000 0.231 206 A C 0.615 178.208 177.584 0.015 0.000 1.065 206 A CA 1.458 53.508 52.037 0.022 0.000 0.760 206 A CB -0.456 18.583 19.000 0.066 0.000 1.001 206 A HN 0.855 nan 8.150 nan 0.000 0.509 207 T N 2.051 116.616 114.554 0.018 0.000 2.831 207 T HA 0.087 4.435 4.350 -0.004 0.000 0.291 207 T C 1.607 176.373 174.700 0.110 0.000 0.981 207 T CA 0.712 62.822 62.100 0.018 0.000 1.174 207 T CB 0.229 69.116 68.868 0.031 0.000 0.929 207 T HN 0.787 nan 8.240 nan 0.000 0.532 208 R N 3.041 123.547 120.500 0.010 0.000 2.113 208 R HA -0.167 4.171 4.340 -0.004 0.000 0.244 208 R C 1.411 177.844 176.300 0.221 0.000 1.142 208 R CA 1.973 58.106 56.100 0.055 0.000 0.953 208 R CB -0.257 30.055 30.300 0.020 0.000 0.860 208 R HN 0.667 nan 8.270 nan 0.000 0.438 209 W N -0.226 121.121 121.300 0.078 0.000 2.480 209 W HA -0.101 4.557 4.660 -0.003 0.000 0.257 209 W C 0.691 177.074 176.519 -0.226 0.000 1.235 209 W CA 0.459 57.744 57.345 -0.100 0.000 1.218 209 W CB -0.577 28.728 29.460 -0.259 0.000 1.131 209 W HN 0.273 nan 8.180 nan 0.000 0.606 210 Y N -0.629 119.892 120.300 0.369 0.000 2.584 210 Y HA 0.294 4.841 4.550 -0.005 0.000 0.254 210 Y C 0.867 176.978 175.900 0.351 0.000 1.177 210 Y CA -0.968 57.355 58.100 0.372 0.000 1.216 210 Y CB -0.496 38.114 38.460 0.249 0.000 1.172 210 Y HN -0.336 nan 8.280 nan 0.000 0.529 211 R N 1.312 121.990 120.500 0.298 0.000 2.389 211 R HA 0.516 4.853 4.340 -0.004 0.000 0.295 211 R C 0.360 176.566 176.300 -0.157 0.000 1.075 211 R CA -0.272 55.877 56.100 0.082 0.000 1.005 211 R CB 0.693 30.965 30.300 -0.047 0.000 0.987 211 R HN 0.212 nan 8.270 nan 0.000 0.452 212 A N 5.486 128.081 122.820 -0.375 0.000 2.445 212 A HA 0.161 4.479 4.320 -0.004 0.000 0.242 212 A C -1.254 175.844 177.584 -0.809 0.000 1.075 212 A CA -1.258 50.130 52.037 -1.081 0.000 0.777 212 A CB 0.071 18.710 19.000 -0.602 0.000 1.013 212 A HN 0.604 nan 8.150 nan 0.000 0.493 213 P HA -0.247 nan 4.420 nan 0.000 0.216 213 P C 0.928 177.982 177.300 -0.410 0.000 1.150 213 P CA 1.670 64.429 63.100 -0.568 0.000 0.843 213 P CB 0.013 31.404 31.700 -0.515 0.000 0.787 214 E N -0.290 119.628 120.200 -0.470 0.000 2.463 214 E HA -0.116 4.232 4.350 -0.004 0.000 0.201 214 E C 1.726 178.195 176.600 -0.219 0.000 1.045 214 E CA 0.573 56.780 56.400 -0.320 0.000 0.872 214 E CB -0.683 28.831 29.700 -0.309 0.000 0.797 214 E HN 0.220 nan 8.360 nan 0.000 0.538 215 I N 1.314 121.742 120.570 -0.237 0.000 2.500 215 I HA -0.129 4.039 4.170 -0.004 0.000 0.252 215 I C 2.136 178.173 176.117 -0.133 0.000 1.142 215 I CA 0.889 62.081 61.300 -0.179 0.000 1.451 215 I CB -0.567 37.321 38.000 -0.187 0.000 1.093 215 I HN 0.163 nan 8.210 nan 0.000 0.430 216 M N -1.281 118.228 119.600 -0.151 0.000 2.502 216 M HA 0.109 4.587 4.480 -0.004 0.000 0.243 216 M C 1.676 178.009 176.300 0.056 0.000 1.130 216 M CA 0.772 56.027 55.300 -0.074 0.000 1.055 216 M CB -0.465 32.028 32.600 -0.178 0.000 1.457 216 M HN 0.064 nan 8.290 nan 0.000 0.488 217 L N 1.634 122.894 121.223 0.062 0.000 2.356 217 L HA 0.135 4.473 4.340 -0.004 0.000 0.193 217 L C 0.867 177.782 176.870 0.075 0.000 1.087 217 L CA 1.411 56.358 54.840 0.179 0.000 0.817 217 L CB -0.872 41.237 42.059 0.084 0.000 1.035 217 L HN 0.470 nan 8.230 nan 0.000 0.482 218 N N -2.046 116.613 118.700 -0.067 0.000 2.423 218 N HA 0.027 4.765 4.740 -0.004 0.000 0.262 218 N C -0.497 174.882 175.510 -0.218 0.000 1.467 218 N CA -0.054 52.874 53.050 -0.203 0.000 0.847 218 N CB 0.142 38.541 38.487 -0.145 0.000 1.394 218 N HN 0.009 nan 8.380 nan 0.000 0.495 219 S N -0.170 115.425 115.700 -0.174 0.000 2.549 219 S HA 0.486 4.953 4.470 -0.004 0.000 0.280 219 S C -0.052 174.425 174.600 -0.206 0.000 1.109 219 S CA -0.591 57.508 58.200 -0.170 0.000 0.905 219 S CB 1.404 64.517 63.200 -0.144 0.000 1.081 219 S HN 0.200 nan 8.310 nan 0.000 0.477 220 K N 1.919 122.139 120.400 -0.300 0.000 2.404 220 K HA 0.267 4.585 4.320 -0.004 0.000 0.194 220 K C 0.854 177.172 176.600 -0.470 0.000 1.023 220 K CA 0.465 56.458 56.287 -0.490 0.000 1.094 220 K CB 0.253 32.197 32.500 -0.927 0.000 0.841 220 K HN 1.040 nan 8.250 nan 0.000 0.523 221 G N 1.863 110.515 108.800 -0.246 0.000 2.324 221 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.292 221 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.292 221 G C -0.445 174.539 174.900 0.139 0.000 1.079 221 G CA -0.210 44.858 45.100 -0.053 0.000 1.026 221 G HN 0.273 nan 8.290 nan 0.000 0.506 222 Y N 0.591 120.918 120.300 0.046 0.000 2.781 222 Y HA 0.494 5.041 4.550 -0.006 0.000 0.326 222 Y C 1.191 177.113 175.900 0.037 0.000 1.019 222 Y CA -0.654 57.481 58.100 0.059 0.000 1.372 222 Y CB 0.078 38.585 38.460 0.079 0.000 1.260 222 Y HN 0.720 nan 8.280 nan 0.000 0.546 223 T N -4.397 110.254 114.554 0.161 0.000 2.932 223 T HA 0.326 4.673 4.350 -0.004 0.000 0.318 223 T C 0.659 175.367 174.700 0.014 0.000 1.265 223 T CA -0.982 61.157 62.100 0.064 0.000 1.036 223 T CB 1.851 70.746 68.868 0.044 0.000 1.209 223 T HN 0.069 nan 8.240 nan 0.000 0.484 224 K N 1.091 121.427 120.400 -0.107 0.000 2.293 224 K HA -0.159 4.159 4.320 -0.004 0.000 0.204 224 K C 2.371 178.958 176.600 -0.022 0.000 1.045 224 K CA 1.864 57.994 56.287 -0.263 0.000 0.933 224 K CB -0.351 31.798 32.500 -0.584 0.000 0.736 224 K HN 0.759 nan 8.250 nan 0.000 0.463 225 S N 1.112 116.826 115.700 0.024 0.000 2.399 225 S HA -0.172 4.296 4.470 -0.004 0.000 0.231 225 S C 1.948 176.633 174.600 0.142 0.000 1.022 225 S CA 0.942 59.195 58.200 0.087 0.000 0.983 225 S CB -0.331 62.906 63.200 0.062 0.000 0.803 225 S HN 0.167 nan 8.310 nan 0.000 0.480 226 I N 2.993 123.634 120.570 0.120 0.000 2.286 226 I HA -0.158 4.009 4.170 -0.004 0.000 0.248 226 I C 1.553 177.801 176.117 0.218 0.000 1.115 226 I CA 1.464 62.852 61.300 0.148 0.000 1.392 226 I CB -0.419 37.652 38.000 0.119 0.000 1.065 226 I HN 0.115 nan 8.210 nan 0.000 0.418 227 D N 0.018 120.552 120.400 0.224 0.000 2.183 227 D HA -0.085 4.552 4.640 -0.004 0.000 0.203 227 D C 2.282 178.703 176.300 0.202 0.000 0.969 227 D CA 0.927 55.065 54.000 0.231 0.000 0.842 227 D CB -0.057 40.945 40.800 0.337 0.000 0.957 227 D HN 0.251 nan 8.370 nan 0.000 0.484 228 I N 0.290 120.993 120.570 0.222 0.000 2.226 228 I HA -0.218 3.950 4.170 -0.004 0.000 0.245 228 I C 2.371 178.592 176.117 0.173 0.000 1.100 228 I CA 0.759 62.161 61.300 0.171 0.000 1.374 228 I CB -0.971 37.127 38.000 0.164 0.000 1.057 228 I HN 0.277 nan 8.210 nan 0.000 0.413 229 W N 2.183 123.534 121.300 0.085 0.000 2.354 229 W HA -0.233 4.425 4.660 -0.003 0.000 0.315 229 W C 2.638 179.239 176.519 0.137 0.000 1.206 229 W CA 1.925 59.334 57.345 0.107 0.000 1.290 229 W CB -0.363 29.157 29.460 0.101 0.000 1.152 229 W HN 0.097 nan 8.180 nan 0.000 0.489 230 S N 0.936 116.850 115.700 0.357 0.000 2.368 230 S HA -0.248 4.220 4.470 -0.004 0.000 0.226 230 S C 1.803 176.478 174.600 0.125 0.000 1.044 230 S CA 2.165 60.542 58.200 0.295 0.000 1.062 230 S CB -1.003 62.329 63.200 0.220 0.000 0.931 230 S HN 0.147 nan 8.310 nan 0.000 0.440 231 V N 1.658 121.598 119.914 0.044 0.000 2.469 231 V HA -0.175 3.943 4.120 -0.004 0.000 0.251 231 V C 2.538 178.581 176.094 -0.084 0.000 1.064 231 V CA 1.815 64.102 62.300 -0.022 0.000 1.066 231 V CB -1.525 30.279 31.823 -0.032 0.000 0.667 231 V HN 0.616 nan 8.190 nan 0.000 0.461 232 G N -1.258 107.449 108.800 -0.155 0.000 2.418 232 G HA2 -0.252 3.705 3.960 -0.004 0.000 0.217 232 G HA3 -0.252 3.705 3.960 -0.004 0.000 0.217 232 G C 1.698 176.405 174.900 -0.322 0.000 1.158 232 G CA 1.275 46.188 45.100 -0.312 0.000 0.771 232 G HN 0.553 nan 8.290 nan 0.000 0.545 233 C N 0.382 119.543 119.300 -0.233 0.000 2.440 233 C HA 0.114 4.571 4.460 -0.004 0.000 0.278 233 C C 2.831 177.804 174.990 -0.028 0.000 1.295 233 C CA 0.279 59.213 59.018 -0.140 0.000 1.738 233 C CB -0.914 26.850 27.740 0.041 0.000 1.987 233 C HN 0.467 nan 8.230 nan 0.000 0.492 234 I N 0.424 121.032 120.570 0.064 0.000 2.286 234 I HA -0.205 3.962 4.170 -0.004 0.000 0.248 234 I C 2.572 178.675 176.117 -0.023 0.000 1.115 234 I CA 1.303 62.648 61.300 0.074 0.000 1.392 234 I CB -0.531 37.496 38.000 0.045 0.000 1.065 234 I HN 0.359 nan 8.210 nan 0.000 0.418 235 L N 0.890 122.051 121.223 -0.102 0.000 2.017 235 L HA -0.211 4.127 4.340 -0.004 0.000 0.208 235 L C 2.807 179.530 176.870 -0.246 0.000 1.073 235 L CA 1.750 56.497 54.840 -0.155 0.000 0.745 235 L CB -0.343 41.581 42.059 -0.225 0.000 0.894 235 L HN 0.246 nan 8.230 nan 0.000 0.432 236 A N -0.361 122.259 122.820 -0.334 0.000 1.940 236 A HA -0.306 4.012 4.320 -0.004 0.000 0.219 236 A C 2.098 179.576 177.584 -0.176 0.000 1.176 236 A CA 1.972 53.748 52.037 -0.435 0.000 0.631 236 A CB -0.568 18.218 19.000 -0.355 0.000 0.814 236 A HN 0.610 nan 8.150 nan 0.000 0.446 237 E N -0.455 119.695 120.200 -0.084 0.000 2.077 237 E HA -0.162 4.186 4.350 -0.004 0.000 0.193 237 E C 1.994 178.604 176.600 0.017 0.000 0.989 237 E CA 1.507 57.910 56.400 0.005 0.000 0.800 237 E CB -0.223 29.519 29.700 0.071 0.000 0.746 237 E HN 0.646 nan 8.360 nan 0.000 0.452 238 M N 0.079 119.684 119.600 0.008 0.000 2.374 238 M HA -0.082 4.396 4.480 -0.004 0.000 0.264 238 M C 1.866 178.184 176.300 0.031 0.000 1.067 238 M CA 0.836 56.165 55.300 0.048 0.000 1.103 238 M CB 0.053 32.708 32.600 0.092 0.000 1.402 238 M HN 0.217 nan 8.290 nan 0.000 0.444 239 L N -1.257 119.942 121.223 -0.040 0.000 2.341 239 L HA -0.031 4.307 4.340 -0.004 0.000 0.214 239 L C 1.477 178.398 176.870 0.085 0.000 1.115 239 L CA 0.650 55.460 54.840 -0.050 0.000 0.820 239 L CB -0.016 41.863 42.059 -0.300 0.000 0.944 239 L HN 0.185 nan 8.230 nan 0.000 0.452 240 S N -1.823 113.952 115.700 0.125 0.000 2.787 240 S HA 0.144 4.611 4.470 -0.004 0.000 0.255 240 S C 0.412 175.057 174.600 0.075 0.000 1.051 240 S CA -0.415 57.880 58.200 0.158 0.000 1.124 240 S CB 0.482 63.849 63.200 0.279 0.000 1.104 240 S HN 0.302 nan 8.310 nan 0.000 0.623 241 N N 2.073 120.804 118.700 0.051 0.000 2.747 241 N HA -0.169 4.569 4.740 -0.004 0.000 0.249 241 N C -0.343 175.166 175.510 -0.001 0.000 1.107 241 N CA 1.210 54.270 53.050 0.017 0.000 0.707 241 N CB -0.742 37.753 38.487 0.013 0.000 1.054 241 N HN 0.732 nan 8.380 nan 0.000 0.555 242 R N -2.657 117.847 120.500 0.007 0.000 2.634 242 R HA 0.533 4.871 4.340 -0.004 0.000 0.263 242 R C -3.471 172.801 176.300 -0.048 0.000 1.060 242 R CA -1.320 54.764 56.100 -0.026 0.000 0.898 242 R CB 1.031 31.306 30.300 -0.042 0.000 1.253 242 R HN -0.290 nan 8.270 nan 0.000 0.461 243 P HA 0.093 nan 4.420 nan 0.000 0.271 243 P C 0.121 177.263 177.300 -0.264 0.000 1.233 243 P CA -0.382 62.590 63.100 -0.214 0.000 0.789 243 P CB 0.618 32.041 31.700 -0.462 0.000 0.951 244 I N 1.252 121.611 120.570 -0.352 0.000 2.494 244 I HA -0.009 4.159 4.170 -0.004 0.000 0.250 244 I C -0.119 175.869 176.117 -0.214 0.000 1.112 244 I CA 0.660 61.672 61.300 -0.481 0.000 1.438 244 I CB 0.112 37.504 38.000 -1.012 0.000 1.111 244 I HN 0.193 nan 8.210 nan 0.000 0.431 245 F N -2.599 117.415 119.950 0.108 0.000 2.999 245 F HA -0.165 4.360 4.527 -0.004 0.000 0.291 245 F C -1.957 173.574 175.800 -0.448 0.000 0.824 245 F CA -0.064 57.919 58.000 -0.029 0.000 1.255 245 F CB -3.052 35.993 39.000 0.075 0.000 1.333 245 F HN 0.193 nan 8.300 nan 0.000 0.502 246 P HA 0.390 nan 4.420 nan 0.000 0.196 246 P C 0.873 177.726 177.300 -0.745 0.000 1.065 246 P CA 1.910 64.167 63.100 -1.405 0.000 0.803 246 P CB 0.340 31.291 31.700 -1.249 0.000 0.673 247 G N -1.465 106.992 108.800 -0.573 0.000 3.226 247 G HA2 -0.073 3.884 3.960 -0.004 0.000 0.685 247 G HA3 -0.073 3.884 3.960 -0.004 0.000 0.685 247 G C -0.001 175.054 174.900 0.258 0.000 1.207 247 G CA -0.355 44.682 45.100 -0.105 0.000 0.877 247 G HN -0.032 nan 8.290 nan 0.000 0.585 248 K N 0.545 121.112 120.400 0.278 0.000 1.969 248 K HA 0.068 4.385 4.320 -0.004 0.000 0.216 248 K C 1.121 177.904 176.600 0.305 0.000 1.048 248 K CA 1.895 58.386 56.287 0.340 0.000 0.948 248 K CB -0.053 32.685 32.500 0.396 0.000 0.726 248 K HN 1.333 nan 8.250 nan 0.000 0.442 249 H N -1.749 117.406 119.070 0.142 0.000 6.326 249 H HA -0.127 4.426 4.556 -0.004 0.000 0.892 249 H C -1.427 173.998 175.328 0.162 0.000 1.978 249 H CA -0.609 55.524 56.048 0.142 0.000 1.396 249 H CB -1.665 28.179 29.762 0.137 0.000 4.708 249 H HN 0.164 nan 8.280 nan 0.000 0.697 250 Y N 5.058 125.477 120.300 0.198 0.000 2.511 250 Y HA 0.247 4.794 4.550 -0.005 0.000 0.347 250 Y C 1.730 177.775 175.900 0.241 0.000 1.257 250 Y CA 1.879 60.058 58.100 0.131 0.000 1.469 250 Y CB 0.284 38.745 38.460 0.001 0.000 1.353 250 Y HN 0.749 nan 8.280 nan 0.000 0.617 251 L N 1.697 123.083 121.223 0.271 0.000 2.824 251 L HA -0.416 3.922 4.340 -0.004 0.000 0.395 251 L C 1.372 178.323 176.870 0.135 0.000 1.064 251 L CA 2.719 57.700 54.840 0.234 0.000 3.242 251 L CB -1.914 40.352 42.059 0.345 0.000 0.821 251 L HN 0.813 nan 8.230 nan 0.000 0.792 252 D N -0.597 119.868 120.400 0.109 0.000 2.149 252 D HA -0.227 4.410 4.640 -0.004 0.000 0.198 252 D C 1.884 178.222 176.300 0.063 0.000 0.990 252 D CA 1.739 55.640 54.000 -0.165 0.000 0.839 252 D CB -0.044 40.423 40.800 -0.554 0.000 0.948 252 D HN 0.694 nan 8.370 nan 0.000 0.460 253 Q N -0.186 119.649 119.800 0.059 0.000 2.077 253 Q HA -0.142 4.196 4.340 -0.004 0.000 0.206 253 Q C 2.069 178.074 176.000 0.009 0.000 0.989 253 Q CA 1.311 57.132 55.803 0.030 0.000 0.853 253 Q CB -0.773 27.944 28.738 -0.034 0.000 0.907 253 Q HN 0.412 nan 8.270 nan 0.000 0.418 254 L N 0.548 121.758 121.223 -0.022 0.000 2.083 254 L HA -0.133 4.204 4.340 -0.004 0.000 0.209 254 L C 1.371 178.287 176.870 0.077 0.000 1.083 254 L CA 1.924 56.764 54.840 0.001 0.000 0.752 254 L CB -0.734 41.337 42.059 0.021 0.000 0.899 254 L HN 0.266 nan 8.230 nan 0.000 0.433 255 N N -1.393 117.375 118.700 0.114 0.000 2.300 255 N HA -0.152 4.586 4.740 -0.004 0.000 0.179 255 N C 1.751 177.298 175.510 0.061 0.000 1.016 255 N CA 1.130 54.241 53.050 0.101 0.000 0.876 255 N CB -0.391 38.149 38.487 0.090 0.000 0.979 255 N HN 0.510 nan 8.380 nan 0.000 0.432 256 H N 0.788 119.855 119.070 -0.005 0.000 2.389 256 H HA 0.159 4.712 4.556 -0.004 0.000 0.299 256 H C 2.068 177.399 175.328 0.006 0.000 1.081 256 H CA 0.957 57.027 56.048 0.037 0.000 1.345 256 H CB 0.019 29.834 29.762 0.087 0.000 1.393 256 H HN 0.121 nan 8.280 nan 0.000 0.520 257 I N -0.150 120.374 120.570 -0.077 0.000 2.163 257 I HA -0.262 3.905 4.170 -0.004 0.000 0.240 257 I C 1.807 177.888 176.117 -0.061 0.000 1.081 257 I CA 1.080 62.159 61.300 -0.368 0.000 1.353 257 I CB -0.184 37.605 38.000 -0.352 0.000 1.054 257 I HN 0.219 nan 8.210 nan 0.000 0.407 258 L N 0.350 121.570 121.223 -0.005 0.000 2.187 258 L HA -0.161 4.177 4.340 -0.004 0.000 0.213 258 L C 2.574 179.434 176.870 -0.017 0.000 1.100 258 L CA 1.266 56.105 54.840 -0.002 0.000 0.765 258 L CB -1.178 40.878 42.059 -0.005 0.000 0.904 258 L HN 0.355 nan 8.230 nan 0.000 0.437 259 G N 0.209 109.002 108.800 -0.012 0.000 2.432 259 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.219 259 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.219 259 G C 1.574 176.468 174.900 -0.011 0.000 1.135 259 G CA 0.654 45.733 45.100 -0.035 0.000 0.767 259 G HN 0.329 nan 8.290 nan 0.000 0.550 260 I N -0.708 119.906 120.570 0.073 0.000 2.810 260 I HA 0.106 4.274 4.170 -0.004 0.000 0.262 260 I C 2.176 178.267 176.117 -0.042 0.000 1.131 260 I CA 0.067 61.400 61.300 0.054 0.000 1.453 260 I CB 0.061 38.245 38.000 0.308 0.000 1.161 260 I HN 0.024 nan 8.210 nan 0.000 0.444 261 L N 0.974 122.231 121.223 0.056 0.000 2.291 261 L HA 0.148 4.486 4.340 -0.004 0.000 0.214 261 L C 1.120 177.971 176.870 -0.032 0.000 1.120 261 L CA 1.015 55.887 54.840 0.054 0.000 0.799 261 L CB -1.187 40.985 42.059 0.189 0.000 0.925 261 L HN 0.384 nan 8.230 nan 0.000 0.446 262 G N -1.588 107.176 108.800 -0.060 0.000 2.781 262 G HA2 -0.222 3.735 3.960 -0.004 0.000 0.683 262 G HA3 -0.222 3.735 3.960 -0.004 0.000 0.683 262 G C -0.135 174.689 174.900 -0.126 0.000 1.390 262 G CA -0.422 44.625 45.100 -0.089 0.000 0.850 262 G HN 0.118 nan 8.290 nan 0.000 0.557 263 S N 2.068 117.687 115.700 -0.135 0.000 2.552 263 S HA 0.395 4.862 4.470 -0.004 0.000 0.289 263 S C -1.489 172.963 174.600 -0.247 0.000 1.304 263 S CA -0.056 58.035 58.200 -0.182 0.000 1.063 263 S CB 0.772 63.889 63.200 -0.139 0.000 0.848 263 S HN 0.694 nan 8.310 nan 0.000 0.499 264 P HA 0.074 nan 4.420 nan 0.000 0.267 264 P C -0.192 176.965 177.300 -0.239 0.000 1.200 264 P CA -0.198 62.578 63.100 -0.539 0.000 0.772 264 P CB 0.376 31.528 31.700 -0.913 0.000 0.855 265 S N 1.617 117.236 115.700 -0.135 0.000 2.592 265 S HA 0.075 4.543 4.470 -0.004 0.000 0.271 265 S C 1.216 175.800 174.600 -0.026 0.000 1.326 265 S CA -0.320 57.850 58.200 -0.050 0.000 1.024 265 S CB 0.987 64.188 63.200 0.003 0.000 0.921 265 S HN 0.399 nan 8.310 nan 0.000 0.527 266 Q N 1.760 121.550 119.800 -0.017 0.000 1.861 266 Q HA -0.256 4.082 4.340 -0.004 0.000 0.242 266 Q C 2.109 178.121 176.000 0.021 0.000 1.025 266 Q CA 2.767 58.568 55.803 -0.004 0.000 0.886 266 Q CB -0.739 27.997 28.738 -0.003 0.000 0.969 266 Q HN 0.980 nan 8.270 nan 0.000 0.418 267 E N 0.133 120.351 120.200 0.029 0.000 2.267 267 E HA -0.222 4.125 4.350 -0.004 0.000 0.197 267 E C 1.454 178.097 176.600 0.071 0.000 0.998 267 E CA 1.776 58.203 56.400 0.043 0.000 0.830 267 E CB -0.627 29.097 29.700 0.040 0.000 0.751 267 E HN 0.595 nan 8.360 nan 0.000 0.491 268 D N -0.037 120.413 120.400 0.084 0.000 2.149 268 D HA -0.144 4.494 4.640 -0.004 0.000 0.198 268 D C 1.656 178.088 176.300 0.221 0.000 0.990 268 D CA 1.152 55.244 54.000 0.153 0.000 0.839 268 D CB 0.018 40.903 40.800 0.141 0.000 0.948 268 D HN 0.083 nan 8.370 nan 0.000 0.460 269 L N 0.569 121.887 121.223 0.159 0.000 2.035 269 L HA -0.245 4.093 4.340 -0.004 0.000 0.243 269 L C 1.822 178.806 176.870 0.191 0.000 1.100 269 L CA 2.194 57.151 54.840 0.194 0.000 0.835 269 L CB -0.704 41.410 42.059 0.091 0.000 0.927 269 L HN 0.339 nan 8.230 nan 0.000 0.442 270 N N -4.526 114.241 118.700 0.111 0.000 2.804 270 N HA -0.115 4.622 4.740 -0.004 0.000 0.190 270 N C 0.367 175.910 175.510 0.054 0.000 1.303 270 N CA 0.730 53.825 53.050 0.075 0.000 2.109 270 N CB -0.162 38.366 38.487 0.069 0.000 1.106 270 N HN 0.487 nan 8.380 nan 0.000 0.740 271 C N 0.170 119.501 119.300 0.052 0.000 5.812 271 C HA -0.214 4.244 4.460 -0.004 0.000 0.320 271 C C 0.249 175.283 174.990 0.072 0.000 2.365 271 C CA 0.682 59.736 59.018 0.061 0.000 2.127 271 C CB -1.543 26.241 27.740 0.074 0.000 3.138 271 C HN 0.549 nan 8.230 nan 0.000 0.317 272 I N 1.141 121.756 120.570 0.075 0.000 2.563 272 I HA 0.318 4.485 4.170 -0.004 0.000 0.276 272 I C 0.670 176.822 176.117 0.059 0.000 1.074 272 I CA -0.018 61.329 61.300 0.078 0.000 1.124 272 I CB 0.546 38.601 38.000 0.092 0.000 1.225 272 I HN 0.497 nan 8.210 nan 0.000 0.482 273 I N 0.311 120.922 120.570 0.068 0.000 4.018 273 I HA 0.344 4.511 4.170 -0.004 0.000 0.337 273 I C 0.383 176.537 176.117 0.061 0.000 1.327 273 I CA -0.100 61.230 61.300 0.049 0.000 1.100 273 I CB 0.123 38.142 38.000 0.033 0.000 1.025 273 I HN 0.165 nan 8.210 nan 0.000 0.396 274 N N 2.619 121.372 118.700 0.089 0.000 2.427 274 N HA 0.073 4.811 4.740 -0.004 0.000 0.269 274 N C 0.797 176.314 175.510 0.012 0.000 1.235 274 N CA 0.173 53.276 53.050 0.088 0.000 0.934 274 N CB 1.033 39.574 38.487 0.089 0.000 1.121 274 N HN 0.416 nan 8.380 nan 0.000 0.480 275 M N 4.553 124.166 119.600 0.021 0.000 2.706 275 M HA -0.356 4.122 4.480 -0.004 0.000 0.266 275 M C 1.483 177.748 176.300 -0.059 0.000 1.060 275 M CA 2.029 57.327 55.300 -0.005 0.000 1.070 275 M CB -0.029 32.581 32.600 0.018 0.000 1.241 275 M HN 0.448 nan 8.290 nan 0.000 0.488 276 K N -0.187 120.177 120.400 -0.061 0.000 2.044 276 K HA -0.179 4.138 4.320 -0.004 0.000 0.210 276 K C 2.060 178.279 176.600 -0.636 0.000 1.049 276 K CA 1.668 57.848 56.287 -0.179 0.000 0.927 276 K CB -0.576 31.968 32.500 0.073 0.000 0.713 276 K HN 0.582 nan 8.250 nan 0.000 0.443 277 A N 1.633 124.027 122.820 -0.710 0.000 1.865 277 A HA -0.224 4.093 4.320 -0.004 0.000 0.217 277 A C 2.152 179.531 177.584 -0.341 0.000 1.191 277 A CA 1.712 53.260 52.037 -0.814 0.000 0.623 277 A CB -0.575 18.271 19.000 -0.255 0.000 0.826 277 A HN 0.247 nan 8.150 nan 0.000 0.444 278 R N -0.255 120.145 120.500 -0.167 0.000 2.096 278 R HA -0.122 4.216 4.340 -0.004 0.000 0.235 278 R C 1.935 178.187 176.300 -0.080 0.000 1.127 278 R CA 1.723 57.779 56.100 -0.073 0.000 0.968 278 R CB -0.373 29.907 30.300 -0.034 0.000 0.861 278 R HN 0.743 nan 8.270 nan 0.000 0.440 279 N N -0.908 117.729 118.700 -0.104 0.000 2.250 279 N HA -0.178 4.559 4.740 -0.004 0.000 0.181 279 N C 1.555 177.025 175.510 -0.066 0.000 1.017 279 N CA 0.815 53.822 53.050 -0.071 0.000 0.866 279 N CB -0.104 38.354 38.487 -0.048 0.000 0.985 279 N HN 0.191 nan 8.380 nan 0.000 0.429 280 Y N 2.510 122.672 120.300 -0.230 0.000 2.049 280 Y HA -0.200 4.348 4.550 -0.003 0.000 0.277 280 Y C 2.130 177.979 175.900 -0.084 0.000 1.143 280 Y CA 1.476 59.489 58.100 -0.146 0.000 1.115 280 Y CB -0.588 37.729 38.460 -0.238 0.000 0.975 280 Y HN -0.052 nan 8.280 nan 0.000 0.487 281 L N 0.423 121.655 121.223 0.014 0.000 2.021 281 L HA -0.342 3.995 4.340 -0.004 0.000 0.215 281 L C 2.751 179.538 176.870 -0.139 0.000 1.074 281 L CA 2.112 56.925 54.840 -0.046 0.000 0.760 281 L CB -0.889 41.186 42.059 0.027 0.000 0.889 281 L HN 0.411 nan 8.230 nan 0.000 0.433 282 Q N 0.193 119.927 119.800 -0.110 0.000 2.135 282 Q HA -0.224 4.113 4.340 -0.004 0.000 0.204 282 Q C 2.186 178.111 176.000 -0.125 0.000 0.981 282 Q CA 2.037 57.779 55.803 -0.101 0.000 0.856 282 Q CB -0.021 28.674 28.738 -0.072 0.000 0.902 282 Q HN 0.612 nan 8.270 nan 0.000 0.425 283 S N -0.627 114.972 115.700 -0.167 0.000 2.561 283 S HA 0.100 4.568 4.470 -0.004 0.000 0.225 283 S C 0.755 175.229 174.600 -0.209 0.000 0.977 283 S CA -0.256 57.843 58.200 -0.169 0.000 0.926 283 S CB -0.130 62.972 63.200 -0.164 0.000 0.769 283 S HN 0.262 nan 8.310 nan 0.000 0.533 284 L N 2.461 123.530 121.223 -0.256 0.000 2.331 284 L HA 0.404 4.741 4.340 -0.004 0.000 0.278 284 L C -2.338 174.444 176.870 -0.146 0.000 1.106 284 L CA -2.195 52.507 54.840 -0.230 0.000 0.824 284 L CB 0.294 42.198 42.059 -0.258 0.000 1.142 284 L HN 0.007 nan 8.230 nan 0.000 0.443 285 P HA 0.007 nan 4.420 nan 0.000 0.264 285 P C -0.531 176.716 177.300 -0.088 0.000 1.193 285 P CA -0.002 63.045 63.100 -0.089 0.000 0.763 285 P CB 0.457 32.112 31.700 -0.075 0.000 0.810 286 S N 3.616 119.268 115.700 -0.080 0.000 2.573 286 S HA 0.026 4.494 4.470 -0.004 0.000 0.297 286 S C 0.160 174.714 174.600 -0.077 0.000 1.280 286 S CA 0.141 58.293 58.200 -0.079 0.000 1.061 286 S CB -0.116 63.043 63.200 -0.068 0.000 0.812 286 S HN 0.329 nan 8.310 nan 0.000 0.500 287 K N 1.950 122.300 120.400 -0.083 0.000 2.535 287 K HA 0.343 4.661 4.320 -0.004 0.000 0.250 287 K C -0.896 175.655 176.600 -0.082 0.000 0.948 287 K CA -0.647 55.592 56.287 -0.080 0.000 0.796 287 K CB 1.864 34.316 32.500 -0.081 0.000 1.216 287 K HN 0.422 nan 8.250 nan 0.000 0.432 288 T N 1.963 116.471 114.554 -0.076 0.000 2.910 288 T HA 0.110 4.457 4.350 -0.004 0.000 0.293 288 T C 0.154 174.798 174.700 -0.092 0.000 1.015 288 T CA -0.387 61.666 62.100 -0.077 0.000 1.094 288 T CB 0.967 69.794 68.868 -0.068 0.000 0.968 288 T HN 0.407 nan 8.240 nan 0.000 0.521 289 K N 1.790 122.130 120.400 -0.099 0.000 2.436 289 K HA 0.209 4.527 4.320 -0.004 0.000 0.275 289 K C -0.807 175.688 176.600 -0.175 0.000 0.999 289 K CA -0.366 55.839 56.287 -0.138 0.000 0.980 289 K CB 0.315 32.735 32.500 -0.133 0.000 0.919 289 K HN 0.294 nan 8.250 nan 0.000 0.484 290 V N 4.270 124.038 119.914 -0.244 0.000 2.348 290 V HA 0.239 4.357 4.120 -0.004 0.000 0.270 290 V C 0.213 176.086 176.094 -0.368 0.000 1.037 290 V CA -0.870 61.281 62.300 -0.249 0.000 0.872 290 V CB 0.546 32.239 31.823 -0.217 0.000 1.002 290 V HN 0.953 nan 8.190 nan 0.000 0.464 291 A N 4.711 127.385 122.820 -0.244 0.000 2.580 291 A HA 0.051 4.368 4.320 -0.004 0.000 0.244 291 A C 0.797 178.294 177.584 -0.145 0.000 1.045 291 A CA 0.238 52.152 52.037 -0.205 0.000 0.761 291 A CB -0.117 18.844 19.000 -0.064 0.000 0.962 291 A HN 0.951 nan 8.150 nan 0.000 0.512 292 W N 2.635 123.991 121.300 0.092 0.000 2.333 292 W HA -0.162 4.496 4.660 -0.005 0.000 0.316 292 W C 2.355 178.985 176.519 0.185 0.000 1.215 292 W CA 1.443 58.899 57.345 0.185 0.000 1.278 292 W CB -0.380 29.162 29.460 0.137 0.000 1.154 292 W HN 0.782 nan 8.180 nan 0.000 0.486 293 A N -0.084 122.935 122.820 0.331 0.000 2.272 293 A HA -0.183 4.134 4.320 -0.004 0.000 0.213 293 A C 1.767 179.426 177.584 0.126 0.000 1.183 293 A CA 1.830 53.989 52.037 0.204 0.000 0.719 293 A CB -0.562 18.518 19.000 0.133 0.000 0.771 293 A HN 0.209 nan 8.150 nan 0.000 0.484 294 K N -0.913 119.539 120.400 0.086 0.000 2.190 294 K HA 0.253 4.571 4.320 -0.004 0.000 0.202 294 K C 1.194 177.757 176.600 -0.061 0.000 1.045 294 K CA 0.662 56.949 56.287 -0.001 0.000 0.976 294 K CB -0.149 32.326 32.500 -0.042 0.000 0.849 294 K HN 0.362 nan 8.250 nan 0.000 0.468 295 L N -0.236 120.921 121.223 -0.111 0.000 2.599 295 L HA 0.219 4.557 4.340 -0.004 0.000 0.230 295 L C -0.285 176.148 176.870 -0.728 0.000 1.141 295 L CA 0.590 55.189 54.840 -0.401 0.000 0.877 295 L CB 0.025 41.796 42.059 -0.480 0.000 1.009 295 L HN -0.049 nan 8.230 nan 0.000 0.447 296 F N -0.456 119.528 119.950 0.057 0.000 2.766 296 F HA 0.372 4.896 4.527 -0.004 0.000 0.355 296 F C -2.531 173.285 175.800 0.028 0.000 1.434 296 F CA -2.058 55.965 58.000 0.039 0.000 1.139 296 F CB 0.308 39.338 39.000 0.050 0.000 1.816 296 F HN -0.190 nan 8.300 nan 0.000 0.600 297 P HA 0.198 nan 4.420 nan 0.000 0.276 297 P C 0.128 177.476 177.300 0.080 0.000 1.235 297 P CA -0.025 63.124 63.100 0.081 0.000 0.772 297 P CB 0.875 32.596 31.700 0.034 0.000 0.871 298 K N 0.332 120.773 120.400 0.068 0.000 3.338 298 K HA -0.066 4.252 4.320 -0.004 0.000 0.281 298 K C -1.066 175.567 176.600 0.054 0.000 1.286 298 K CA 0.230 56.549 56.287 0.053 0.000 0.824 298 K CB -1.766 30.761 32.500 0.046 0.000 1.480 298 K HN 0.436 nan 8.250 nan 0.000 0.522 299 S N 0.701 116.433 115.700 0.053 0.000 2.513 299 S HA 0.178 4.646 4.470 -0.004 0.000 0.299 299 S C -0.923 173.665 174.600 -0.019 0.000 1.087 299 S CA -0.885 57.323 58.200 0.013 0.000 1.012 299 S CB 1.736 64.934 63.200 -0.002 0.000 1.044 299 S HN 0.308 nan 8.310 nan 0.000 0.485 300 D N 1.388 121.765 120.400 -0.040 0.000 2.583 300 D HA -0.008 4.630 4.640 -0.004 0.000 0.232 300 D C 0.821 177.061 176.300 -0.099 0.000 1.128 300 D CA 0.533 54.511 54.000 -0.037 0.000 0.859 300 D CB 0.815 41.631 40.800 0.026 0.000 1.169 300 D HN 0.411 nan 8.370 nan 0.000 0.481 301 S N 3.361 119.040 115.700 -0.036 0.000 2.383 301 S HA -0.120 4.348 4.470 -0.004 0.000 0.227 301 S C 1.762 176.327 174.600 -0.058 0.000 1.026 301 S CA 0.720 58.901 58.200 -0.031 0.000 0.981 301 S CB 0.164 63.372 63.200 0.014 0.000 0.818 301 S HN 0.496 nan 8.310 nan 0.000 0.472 302 K N 1.154 121.544 120.400 -0.018 0.000 2.063 302 K HA -0.061 4.256 4.320 -0.004 0.000 0.208 302 K C 2.344 178.811 176.600 -0.222 0.000 1.048 302 K CA 1.290 57.620 56.287 0.072 0.000 0.928 302 K CB -0.312 32.349 32.500 0.268 0.000 0.713 302 K HN 0.340 nan 8.250 nan 0.000 0.442 303 A N 1.085 123.445 122.820 -0.767 0.000 1.930 303 A HA -0.128 4.189 4.320 -0.004 0.000 0.217 303 A C 2.011 179.173 177.584 -0.702 0.000 1.175 303 A CA 1.065 52.317 52.037 -1.308 0.000 0.627 303 A CB -0.354 17.684 19.000 -1.604 0.000 0.815 303 A HN 0.109 nan 8.150 nan 0.000 0.443 304 L N 0.168 121.107 121.223 -0.474 0.000 2.141 304 L HA -0.128 4.210 4.340 -0.004 0.000 0.209 304 L C 1.960 178.603 176.870 -0.379 0.000 1.094 304 L CA 2.288 56.887 54.840 -0.401 0.000 0.763 304 L CB -0.876 41.080 42.059 -0.171 0.000 0.908 304 L HN 0.559 nan 8.230 nan 0.000 0.437 305 D N -1.405 118.856 120.400 -0.232 0.000 2.144 305 D HA -0.195 4.443 4.640 -0.004 0.000 0.200 305 D C 2.138 178.291 176.300 -0.245 0.000 0.978 305 D CA 0.697 54.632 54.000 -0.108 0.000 0.833 305 D CB 0.091 40.955 40.800 0.108 0.000 0.961 305 D HN 0.133 nan 8.370 nan 0.000 0.470 306 L N 0.571 121.471 121.223 -0.538 0.000 2.027 306 L HA -0.063 4.274 4.340 -0.004 0.000 0.206 306 L C 2.067 178.666 176.870 -0.452 0.000 1.074 306 L CA 1.450 55.894 54.840 -0.660 0.000 0.745 306 L CB -1.127 40.432 42.059 -0.834 0.000 0.898 306 L HN 0.221 nan 8.230 nan 0.000 0.433 307 L N 0.050 120.939 121.223 -0.556 0.000 1.963 307 L HA -0.324 4.013 4.340 -0.004 0.000 0.220 307 L C 2.377 178.851 176.870 -0.659 0.000 1.076 307 L CA 2.707 57.148 54.840 -0.665 0.000 0.772 307 L CB -1.348 40.160 42.059 -0.917 0.000 0.892 307 L HN 0.501 nan 8.230 nan 0.000 0.435 308 D N -0.331 119.621 120.400 -0.748 0.000 2.170 308 D HA -0.274 4.363 4.640 -0.004 0.000 0.193 308 D C 2.092 178.367 176.300 -0.042 0.000 1.004 308 D CA 1.800 55.615 54.000 -0.308 0.000 0.860 308 D CB 0.010 40.815 40.800 0.008 0.000 0.931 308 D HN 0.368 nan 8.370 nan 0.000 0.448 309 R N -1.088 119.360 120.500 -0.086 0.000 2.307 309 R HA 0.176 4.514 4.340 -0.004 0.000 0.199 309 R C 1.986 178.282 176.300 -0.007 0.000 1.000 309 R CA 0.519 56.620 56.100 0.001 0.000 1.023 309 R CB 0.061 30.369 30.300 0.012 0.000 0.908 309 R HN 0.368 nan 8.270 nan 0.000 0.473 310 M N -0.441 119.099 119.600 -0.099 0.000 2.545 310 M HA 0.102 4.580 4.480 -0.004 0.000 0.264 310 M C 0.572 176.825 176.300 -0.079 0.000 1.155 310 M CA 0.734 55.981 55.300 -0.087 0.000 1.162 310 M CB 0.569 33.057 32.600 -0.186 0.000 1.330 310 M HN 0.025 nan 8.290 nan 0.000 0.479 311 L N 1.134 122.270 121.223 -0.146 0.000 3.029 311 L HA 0.202 4.540 4.340 -0.004 0.000 0.231 311 L C 0.451 177.560 176.870 0.397 0.000 1.327 311 L CA -0.328 54.405 54.840 -0.179 0.000 1.166 311 L CB -0.153 41.732 42.059 -0.290 0.000 1.532 311 L HN 0.045 nan 8.230 nan 0.000 0.473 312 T N -1.571 113.265 114.554 0.470 0.000 2.889 312 T HA 0.097 4.444 4.350 -0.004 0.000 0.291 312 T C 0.837 175.857 174.700 0.534 0.000 0.995 312 T CA -0.276 62.094 62.100 0.450 0.000 1.092 312 T CB 0.940 69.981 68.868 0.288 0.000 0.954 312 T HN 0.298 nan 8.240 nan 0.000 0.506 313 F N 4.300 124.424 119.950 0.289 0.000 2.171 313 F HA 0.121 4.647 4.527 -0.003 0.000 0.300 313 F C 1.181 177.021 175.800 0.066 0.000 1.090 313 F CA 0.882 58.967 58.000 0.143 0.000 1.293 313 F CB 0.036 39.092 39.000 0.093 0.000 1.013 313 F HN 0.512 nan 8.300 nan 0.000 0.486 314 N N 1.689 120.434 118.700 0.075 0.000 2.419 314 N HA 0.120 4.857 4.740 -0.004 0.000 0.264 314 N C -1.911 173.596 175.510 -0.004 0.000 1.031 314 N CA -1.901 51.124 53.050 -0.041 0.000 0.951 314 N CB 1.424 39.974 38.487 0.105 0.000 1.101 314 N HN 0.011 nan 8.380 nan 0.000 0.488 315 P HA -0.095 nan 4.420 nan 0.000 0.220 315 P C 0.400 177.717 177.300 0.027 0.000 1.148 315 P CA 1.057 64.150 63.100 -0.011 0.000 0.803 315 P CB 0.516 32.181 31.700 -0.059 0.000 0.782 316 N N 0.480 119.194 118.700 0.024 0.000 2.409 316 N HA -0.052 4.686 4.740 -0.004 0.000 0.179 316 N C 1.418 176.962 175.510 0.056 0.000 1.032 316 N CA 0.913 53.985 53.050 0.037 0.000 0.898 316 N CB -0.141 38.366 38.487 0.034 0.000 0.971 316 N HN 0.377 nan 8.380 nan 0.000 0.441 317 K N 0.406 120.850 120.400 0.074 0.000 2.367 317 K HA 0.130 4.448 4.320 -0.004 0.000 0.194 317 K C 0.656 177.318 176.600 0.103 0.000 1.027 317 K CA -0.256 56.085 56.287 0.090 0.000 1.075 317 K CB 0.650 33.216 32.500 0.110 0.000 0.845 317 K HN 0.006 nan 8.250 nan 0.000 0.529 318 R N 1.963 122.529 120.500 0.109 0.000 2.537 318 R HA 0.125 4.462 4.340 -0.004 0.000 0.280 318 R C -0.042 176.315 176.300 0.095 0.000 1.058 318 R CA -0.059 56.115 56.100 0.124 0.000 1.057 318 R CB 0.348 30.738 30.300 0.150 0.000 0.973 318 R HN 0.103 nan 8.270 nan 0.000 0.438 319 I N 3.413 124.035 120.570 0.087 0.000 2.692 319 I HA -0.040 4.128 4.170 -0.004 0.000 0.284 319 I C 0.604 176.767 176.117 0.076 0.000 1.159 319 I CA 0.293 61.637 61.300 0.072 0.000 1.423 319 I CB 0.882 38.917 38.000 0.058 0.000 1.380 319 I HN 0.786 nan 8.210 nan 0.000 0.580 320 T N 3.556 118.154 114.554 0.073 0.000 2.788 320 T HA 0.065 4.412 4.350 -0.004 0.000 0.287 320 T C 1.046 175.803 174.700 0.095 0.000 1.007 320 T CA -0.435 61.715 62.100 0.084 0.000 1.005 320 T CB 1.637 70.548 68.868 0.071 0.000 1.012 320 T HN 0.518 nan 8.240 nan 0.000 0.530 321 V N 0.467 120.462 119.914 0.134 0.000 2.490 321 V HA -0.086 4.031 4.120 -0.004 0.000 0.250 321 V C 2.502 178.649 176.094 0.088 0.000 1.061 321 V CA 1.878 64.247 62.300 0.114 0.000 1.064 321 V CB -0.836 31.074 31.823 0.144 0.000 0.670 321 V HN 0.873 nan 8.190 nan 0.000 0.461 322 E N 0.461 120.718 120.200 0.094 0.000 2.072 322 E HA -0.165 4.182 4.350 -0.004 0.000 0.190 322 E C 2.230 178.865 176.600 0.057 0.000 0.982 322 E CA 1.575 58.031 56.400 0.093 0.000 0.803 322 E CB -0.258 29.500 29.700 0.097 0.000 0.755 322 E HN 0.947 nan 8.360 nan 0.000 0.453 323 E N 0.323 120.551 120.200 0.048 0.000 2.208 323 E HA -0.043 4.305 4.350 -0.004 0.000 0.193 323 E C 1.965 178.580 176.600 0.025 0.000 0.988 323 E CA 0.924 57.338 56.400 0.023 0.000 0.828 323 E CB -0.122 29.602 29.700 0.041 0.000 0.763 323 E HN 0.100 nan 8.360 nan 0.000 0.478 324 A N 2.051 124.899 122.820 0.048 0.000 1.898 324 A HA -0.061 4.257 4.320 -0.004 0.000 0.216 324 A C 2.290 179.913 177.584 0.066 0.000 1.181 324 A CA 0.925 52.998 52.037 0.061 0.000 0.620 324 A CB -0.638 18.387 19.000 0.042 0.000 0.819 324 A HN 0.222 nan 8.150 nan 0.000 0.442 325 L N -0.820 120.429 121.223 0.044 0.000 2.141 325 L HA -0.124 4.213 4.340 -0.004 0.000 0.209 325 L C 2.734 179.433 176.870 -0.286 0.000 1.094 325 L CA 0.889 55.772 54.840 0.072 0.000 0.763 325 L CB -0.307 41.880 42.059 0.214 0.000 0.908 325 L HN 0.417 nan 8.230 nan 0.000 0.437 326 A N -2.071 120.469 122.820 -0.467 0.000 2.238 326 A HA -0.086 4.231 4.320 -0.004 0.000 0.208 326 A C 0.929 178.304 177.584 -0.347 0.000 1.177 326 A CA 0.006 51.544 52.037 -0.831 0.000 0.804 326 A CB -0.725 17.985 19.000 -0.484 0.000 0.823 326 A HN 0.318 nan 8.150 nan 0.000 0.482 327 H N 0.481 119.432 119.070 -0.199 0.000 2.764 327 H HA 0.133 4.687 4.556 -0.004 0.000 0.341 327 H C -1.852 173.452 175.328 -0.040 0.000 1.072 327 H CA -1.518 54.485 56.048 -0.076 0.000 1.444 327 H CB 1.188 30.944 29.762 -0.009 0.000 1.458 327 H HN -0.006 nan 8.280 nan 0.000 0.572 328 P HA -0.228 nan 4.420 nan 0.000 0.218 328 P C 1.020 178.408 177.300 0.147 0.000 1.147 328 P CA 1.291 64.344 63.100 -0.079 0.000 0.827 328 P CB -0.208 31.372 31.700 -0.200 0.000 0.778 329 Y N -0.122 120.355 120.300 0.296 0.000 2.497 329 Y HA -0.045 4.502 4.550 -0.004 0.000 0.292 329 Y C 1.511 177.462 175.900 0.085 0.000 1.137 329 Y CA 1.164 59.358 58.100 0.156 0.000 1.285 329 Y CB -0.558 37.972 38.460 0.116 0.000 0.991 329 Y HN -0.100 nan 8.280 nan 0.000 0.556 330 L N -0.624 120.638 121.223 0.064 0.000 2.693 330 L HA 0.128 4.466 4.340 -0.004 0.000 0.235 330 L C 1.644 178.482 176.870 -0.053 0.000 1.127 330 L CA -0.037 54.807 54.840 0.007 0.000 0.914 330 L CB -0.116 42.079 42.059 0.226 0.000 1.193 330 L HN -0.108 nan 8.230 nan 0.000 0.502 331 E N 1.180 121.343 120.200 -0.062 0.000 2.284 331 E HA -0.247 4.100 4.350 -0.004 0.000 0.200 331 E C 1.716 178.229 176.600 -0.144 0.000 1.008 331 E CA 1.340 57.716 56.400 -0.041 0.000 0.829 331 E CB 0.067 29.739 29.700 -0.046 0.000 0.744 331 E HN 0.586 nan 8.360 nan 0.000 0.491 332 Q N -1.390 118.181 119.800 -0.381 0.000 2.331 332 Q HA -0.043 4.295 4.340 -0.004 0.000 0.203 332 Q C 1.139 176.798 176.000 -0.569 0.000 0.944 332 Q CA 0.850 56.330 55.803 -0.538 0.000 0.892 332 Q CB -0.094 28.158 28.738 -0.810 0.000 0.983 332 Q HN 0.396 nan 8.270 nan 0.000 0.482 333 Y N -2.326 117.809 120.300 -0.275 0.000 2.558 333 Y HA 0.152 4.700 4.550 -0.004 0.000 0.273 333 Y C 0.249 175.904 175.900 -0.408 0.000 1.100 333 Y CA -1.386 56.374 58.100 -0.566 0.000 1.276 333 Y CB -0.401 37.320 38.460 -1.231 0.000 1.196 333 Y HN -0.011 nan 8.280 nan 0.000 0.527 334 Y N 3.488 123.720 120.300 -0.114 0.000 2.916 334 Y HA 0.108 4.655 4.550 -0.005 0.000 0.344 334 Y C -0.329 175.608 175.900 0.062 0.000 1.282 334 Y CA 0.132 58.280 58.100 0.080 0.000 1.604 334 Y CB -0.039 38.464 38.460 0.072 0.000 1.207 334 Y HN 0.178 nan 8.280 nan 0.000 0.561 335 D N 7.926 128.152 120.400 -0.290 0.000 2.474 335 D HA 0.241 4.879 4.640 -0.004 0.000 0.234 335 D C -2.422 173.726 176.300 -0.253 0.000 1.323 335 D CA -1.577 52.247 54.000 -0.294 0.000 0.915 335 D CB 1.271 42.027 40.800 -0.073 0.000 1.487 335 D HN 0.217 nan 8.370 nan 0.000 0.524 336 P HA -0.124 nan 4.420 nan 0.000 0.218 336 P C 1.053 178.313 177.300 -0.065 0.000 1.146 336 P CA 1.493 64.478 63.100 -0.191 0.000 0.820 336 P CB 0.187 31.771 31.700 -0.194 0.000 0.778 337 T N -5.632 108.880 114.554 -0.070 0.000 3.206 337 T HA 0.160 4.507 4.350 -0.004 0.000 0.253 337 T C 0.314 175.004 174.700 -0.016 0.000 1.042 337 T CA -0.057 62.024 62.100 -0.031 0.000 0.931 337 T CB -0.550 68.299 68.868 -0.033 0.000 1.029 337 T HN -0.104 nan 8.240 nan 0.000 0.564 338 D N 0.708 121.107 120.400 -0.002 0.000 3.078 338 D HA 0.175 4.812 4.640 -0.004 0.000 0.363 338 D C -0.629 175.701 176.300 0.050 0.000 1.391 338 D CA -0.348 53.661 54.000 0.016 0.000 0.754 338 D CB 0.333 41.149 40.800 0.027 0.000 1.238 338 D HN 0.490 nan 8.370 nan 0.000 0.500 339 E N 1.591 121.820 120.200 0.049 0.000 3.191 339 E HA 0.179 4.527 4.350 -0.004 0.000 0.303 339 E C -2.519 174.140 176.600 0.097 0.000 1.197 339 E CA -1.397 55.056 56.400 0.088 0.000 0.901 339 E CB 1.233 31.008 29.700 0.125 0.000 1.446 339 E HN 0.224 nan 8.360 nan 0.000 0.385 340 P HA -0.064 nan 4.420 nan 0.000 0.269 340 P C -0.209 177.236 177.300 0.242 0.000 1.205 340 P CA -0.009 63.148 63.100 0.095 0.000 0.780 340 P CB 1.274 32.959 31.700 -0.024 0.000 0.858 341 V N 0.945 120.997 119.914 0.231 0.000 3.046 341 V HA 0.625 4.742 4.120 -0.004 0.000 0.316 341 V C -0.220 175.978 176.094 0.174 0.000 1.104 341 V CA -0.995 61.425 62.300 0.200 0.000 1.006 341 V CB 1.991 33.854 31.823 0.066 0.000 1.058 341 V HN 0.836 nan 8.190 nan 0.000 0.440 342 A N 1.757 124.469 122.820 -0.180 0.000 2.477 342 A HA 0.252 4.570 4.320 -0.004 0.000 0.246 342 A C 1.009 178.525 177.584 -0.112 0.000 1.078 342 A CA 0.640 52.475 52.037 -0.337 0.000 0.770 342 A CB 0.110 18.717 19.000 -0.656 0.000 1.011 342 A HN 1.021 nan 8.150 nan 0.000 0.494 343 E N 0.986 121.169 120.200 -0.028 0.000 2.150 343 E HA -0.091 4.257 4.350 -0.004 0.000 0.193 343 E C 0.468 177.061 176.600 -0.011 0.000 0.985 343 E CA 1.318 57.726 56.400 0.014 0.000 0.814 343 E CB 0.145 29.884 29.700 0.066 0.000 0.752 343 E HN 0.768 nan 8.360 nan 0.000 0.466 344 E N -0.240 119.930 120.200 -0.051 0.000 2.352 344 E HA 0.306 4.654 4.350 -0.004 0.000 0.280 344 E C -2.706 173.804 176.600 -0.151 0.000 0.930 344 E CA -2.472 53.911 56.400 -0.029 0.000 0.765 344 E CB 1.986 31.740 29.700 0.090 0.000 1.219 344 E HN -0.118 nan 8.360 nan 0.000 0.434 345 P HA 0.186 nan 4.420 nan 0.000 0.272 345 P C -1.083 176.271 177.300 0.091 0.000 1.240 345 P CA 0.136 63.156 63.100 -0.133 0.000 0.791 345 P CB 0.416 32.083 31.700 -0.055 0.000 0.978 346 F N -0.836 119.041 119.950 -0.122 0.000 2.579 346 F HA 0.633 5.158 4.527 -0.004 0.000 0.324 346 F C 0.619 176.215 175.800 -0.341 0.000 1.058 346 F CA -0.685 57.165 58.000 -0.250 0.000 0.944 346 F CB 2.531 41.333 39.000 -0.330 0.000 1.245 346 F HN 0.190 nan 8.300 nan 0.000 0.477 347 T N 0.432 114.807 114.554 -0.298 0.000 2.942 347 T HA 0.599 4.947 4.350 -0.004 0.000 0.327 347 T C -1.566 172.863 174.700 -0.451 0.000 1.360 347 T CA -0.437 61.472 62.100 -0.318 0.000 1.055 347 T CB 1.229 70.034 68.868 -0.105 0.000 1.261 347 T HN 0.324 nan 8.240 nan 0.000 0.485 348 F N 1.502 121.450 119.950 -0.003 0.000 2.746 348 F HA 0.870 5.392 4.527 -0.009 0.000 0.378 348 F C 1.062 176.849 175.800 -0.022 0.000 1.165 348 F CA -0.865 57.119 58.000 -0.027 0.000 1.089 348 F CB 0.650 39.630 39.000 -0.033 0.000 1.439 348 F HN 0.916 nan 8.300 nan 0.000 0.516 349 A N 0.168 123.118 122.820 0.217 0.000 2.507 349 A HA 0.394 4.711 4.320 -0.004 0.000 0.235 349 A C 0.487 178.114 177.584 0.072 0.000 1.070 349 A CA 0.283 52.378 52.037 0.097 0.000 0.768 349 A CB -0.349 18.684 19.000 0.054 0.000 1.011 349 A HN 0.910 nan 8.150 nan 0.000 0.502 350 M N -0.579 119.043 119.600 0.038 0.000 3.011 350 M HA -0.301 4.177 4.480 -0.004 0.000 0.216 350 M C 0.680 176.993 176.300 0.021 0.000 0.564 350 M CA 1.525 56.843 55.300 0.031 0.000 0.816 350 M CB -1.649 30.977 32.600 0.042 0.000 2.914 350 M HN 1.284 nan 8.290 nan 0.000 0.348 351 E N -3.271 116.937 120.200 0.012 0.000 3.491 351 E HA -0.183 4.164 4.350 -0.004 0.000 0.143 351 E C 0.555 177.155 176.600 -0.000 0.000 0.620 351 E CA 0.600 57.002 56.400 0.005 0.000 2.973 351 E CB -1.504 28.200 29.700 0.007 0.000 1.272 351 E HN 0.438 nan 8.360 nan 0.000 0.762 352 L N 1.709 122.933 121.223 0.001 0.000 2.103 352 L HA -0.225 4.112 4.340 -0.004 0.000 0.215 352 L C 2.495 179.352 176.870 -0.023 0.000 1.080 352 L CA 2.196 57.027 54.840 -0.015 0.000 0.764 352 L CB -0.742 41.299 42.059 -0.031 0.000 0.890 352 L HN 0.335 nan 8.230 nan 0.000 0.435 353 D N -0.034 120.356 120.400 -0.017 0.000 2.117 353 D HA -0.188 4.450 4.640 -0.004 0.000 0.197 353 D C 0.826 177.119 176.300 -0.012 0.000 0.987 353 D CA 1.144 55.135 54.000 -0.016 0.000 0.829 353 D CB -0.014 40.781 40.800 -0.008 0.000 0.961 353 D HN 0.145 nan 8.370 nan 0.000 0.460 354 D N -0.101 120.293 120.400 -0.011 0.000 2.514 354 D HA 0.295 4.933 4.640 -0.004 0.000 0.267 354 D C -0.981 175.312 176.300 -0.011 0.000 1.165 354 D CA -0.332 53.662 54.000 -0.011 0.000 0.958 354 D CB -0.317 40.477 40.800 -0.010 0.000 0.992 354 D HN 0.157 nan 8.370 nan 0.000 0.506 355 L N 2.173 123.389 121.223 -0.011 0.000 2.482 355 L HA 0.590 4.928 4.340 -0.004 0.000 0.263 355 L C -2.587 174.277 176.870 -0.010 0.000 0.957 355 L CA -2.010 52.824 54.840 -0.010 0.000 0.836 355 L CB 2.680 44.734 42.059 -0.008 0.000 1.324 355 L HN -0.024 nan 8.230 nan 0.000 0.406 356 P HA -0.007 nan 4.420 nan 0.000 0.260 356 P C 0.018 177.316 177.300 -0.004 0.000 1.185 356 P CA -0.072 63.020 63.100 -0.013 0.000 0.763 356 P CB 0.554 32.243 31.700 -0.018 0.000 0.776 357 K N 2.714 123.116 120.400 0.003 0.000 2.242 357 K HA -0.268 4.050 4.320 -0.004 0.000 0.206 357 K C 1.402 178.029 176.600 0.045 0.000 1.045 357 K CA 1.733 58.040 56.287 0.034 0.000 0.930 357 K CB -0.382 32.142 32.500 0.040 0.000 0.726 357 K HN 0.259 nan 8.250 nan 0.000 0.462 358 E N 1.299 121.501 120.200 0.004 0.000 2.150 358 E HA -0.086 4.262 4.350 -0.004 0.000 0.193 358 E C 1.919 178.502 176.600 -0.029 0.000 0.985 358 E CA 0.857 57.240 56.400 -0.027 0.000 0.814 358 E CB 0.080 29.748 29.700 -0.053 0.000 0.752 358 E HN 0.183 nan 8.360 nan 0.000 0.466 359 R N -0.170 120.322 120.500 -0.013 0.000 2.235 359 R HA 0.042 4.379 4.340 -0.004 0.000 0.213 359 R C 2.083 178.390 176.300 0.012 0.000 1.059 359 R CA 0.498 56.593 56.100 -0.009 0.000 0.997 359 R CB -0.330 29.965 30.300 -0.008 0.000 0.884 359 R HN 0.329 nan 8.270 nan 0.000 0.462 360 L N -0.029 121.213 121.223 0.032 0.000 2.270 360 L HA 0.004 4.341 4.340 -0.004 0.000 0.210 360 L C 2.458 179.395 176.870 0.111 0.000 1.104 360 L CA 0.745 55.620 54.840 0.059 0.000 0.804 360 L CB -0.208 41.890 42.059 0.066 0.000 0.937 360 L HN 0.044 nan 8.230 nan 0.000 0.450 361 K N 0.554 121.012 120.400 0.096 0.000 2.148 361 K HA -0.170 4.147 4.320 -0.004 0.000 0.204 361 K C 1.781 178.404 176.600 0.039 0.000 1.050 361 K CA 1.241 57.565 56.287 0.062 0.000 0.942 361 K CB 0.178 32.556 32.500 -0.204 0.000 0.724 361 K HN 0.335 nan 8.250 nan 0.000 0.446 362 E N 0.353 120.560 120.200 0.013 0.000 2.072 362 E HA -0.175 4.173 4.350 -0.004 0.000 0.191 362 E C 1.901 178.581 176.600 0.132 0.000 0.985 362 E CA 0.770 57.199 56.400 0.048 0.000 0.801 362 E CB 0.028 29.728 29.700 0.001 0.000 0.750 362 E HN 0.104 nan 8.360 nan 0.000 0.452 363 L N 0.722 121.998 121.223 0.090 0.000 2.083 363 L HA -0.157 4.180 4.340 -0.004 0.000 0.209 363 L C 2.099 179.028 176.870 0.099 0.000 1.083 363 L CA 1.500 56.386 54.840 0.077 0.000 0.752 363 L CB -0.342 41.740 42.059 0.039 0.000 0.899 363 L HN 0.182 nan 8.230 nan 0.000 0.433 364 I N -2.221 118.432 120.570 0.139 0.000 2.439 364 I HA -0.295 3.873 4.170 -0.004 0.000 0.251 364 I C 2.278 178.511 176.117 0.193 0.000 1.139 364 I CA 0.922 62.318 61.300 0.160 0.000 1.438 364 I CB -0.237 37.909 38.000 0.243 0.000 1.085 364 I HN 0.167 nan 8.210 nan 0.000 0.427 365 F N 1.459 121.439 119.950 0.050 0.000 2.259 365 F HA -0.160 4.363 4.527 -0.005 0.000 0.298 365 F C 2.470 178.289 175.800 0.033 0.000 1.088 365 F CA 1.382 59.400 58.000 0.031 0.000 1.358 365 F CB -0.011 38.978 39.000 -0.018 0.000 1.040 365 F HN 0.005 nan 8.300 nan 0.000 0.505 366 Q N -0.065 119.825 119.800 0.150 0.000 2.062 366 Q HA -0.148 4.190 4.340 -0.004 0.000 0.196 366 Q C 2.080 178.075 176.000 -0.008 0.000 0.967 366 Q CA 1.269 57.098 55.803 0.045 0.000 0.832 366 Q CB -0.280 28.508 28.738 0.083 0.000 0.899 366 Q HN 0.312 nan 8.270 nan 0.000 0.442 367 E N 0.207 120.423 120.200 0.027 0.000 2.209 367 E HA -0.161 4.186 4.350 -0.004 0.000 0.196 367 E C 1.972 178.609 176.600 0.061 0.000 0.993 367 E CA 1.809 58.227 56.400 0.029 0.000 0.819 367 E CB -0.078 29.641 29.700 0.031 0.000 0.745 367 E HN 0.509 nan 8.360 nan 0.000 0.477 368 T N -2.556 112.023 114.554 0.041 0.000 3.065 368 T HA 0.340 4.688 4.350 -0.004 0.000 0.252 368 T C 1.971 176.689 174.700 0.030 0.000 1.099 368 T CA 0.577 62.740 62.100 0.105 0.000 1.063 368 T CB 0.272 69.164 68.868 0.040 0.000 0.948 368 T HN 0.096 nan 8.240 nan 0.000 0.506 369 A N 3.824 126.568 122.820 -0.126 0.000 1.881 369 A HA -0.280 4.038 4.320 -0.004 0.000 0.219 369 A C 2.475 179.984 177.584 -0.126 0.000 1.215 369 A CA 2.512 54.431 52.037 -0.195 0.000 0.648 369 A CB -1.025 17.867 19.000 -0.181 0.000 0.832 369 A HN 0.764 nan 8.150 nan 0.000 0.455 370 R N -1.794 118.615 120.500 -0.153 0.000 2.276 370 R HA -0.152 4.185 4.340 -0.004 0.000 0.243 370 R C 1.110 177.182 176.300 -0.380 0.000 1.161 370 R CA 2.071 58.004 56.100 -0.279 0.000 1.007 370 R CB -0.651 29.410 30.300 -0.397 0.000 0.867 370 R HN 0.452 nan 8.270 nan 0.000 0.472 371 F N 0.858 120.772 119.950 -0.060 0.000 2.727 371 F HA 0.231 4.755 4.527 -0.006 0.000 0.302 371 F C 0.767 176.542 175.800 -0.041 0.000 1.097 371 F CA -0.225 57.752 58.000 -0.039 0.000 1.330 371 F CB 0.150 39.133 39.000 -0.028 0.000 1.084 371 F HN -0.090 nan 8.300 nan 0.000 0.578 372 Q N 2.684 122.513 119.800 0.048 0.000 2.289 372 Q HA 0.039 4.377 4.340 -0.004 0.000 0.273 372 Q C -1.258 174.747 176.000 0.009 0.000 1.029 372 Q CA -1.275 54.535 55.803 0.011 0.000 0.896 372 Q CB 0.669 29.373 28.738 -0.057 0.000 1.182 372 Q HN 0.127 nan 8.270 nan 0.000 0.385 373 P HA -0.097 nan 4.420 nan 0.000 0.231 373 P C 0.363 177.664 177.300 0.001 0.000 1.158 373 P CA 0.859 63.968 63.100 0.015 0.000 0.763 373 P CB 0.591 32.304 31.700 0.021 0.000 0.805 374 G N -0.322 108.476 108.800 -0.004 0.000 2.543 374 G HA2 0.299 4.257 3.960 -0.004 0.000 0.202 374 G HA3 0.299 4.257 3.960 -0.004 0.000 0.202 374 G C -0.014 174.875 174.900 -0.019 0.000 1.897 374 G CA -0.065 45.031 45.100 -0.007 0.000 0.726 374 G HN -0.007 nan 8.290 nan 0.000 0.804 375 V N 0.000 119.904 119.914 -0.017 0.000 2.409 375 V HA 0.000 4.117 4.120 -0.004 0.000 0.244 375 V CA 0.000 62.284 62.300 -0.026 0.000 1.235 375 V CB 0.000 31.826 31.823 0.005 0.000 1.184 375 V HN 0.000 nan 8.190 nan 0.000 0.556