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 2c0i_1_A DATA FIRST_RESID 59 DATA SEQUENCE RIIVVALYDY EAIHHEDLSF QKGDQMVVLE ESGEWWKARS LATRKEGYIP DATA SEQUENCE SNYVARVDSL ETEEWFFKGI SRKDAERQLL APGNMLGSFM IRDSETTKGS DATA SEQUENCE YSLSVRDYDP RQGDTVKHYK IRTLDNGGFY ISPRSTFSTL QELVDHYKKG DATA SEQUENCE NDGLCQKLSV PCMSSKPQKP WEKDAWEIPR ESLKLEKKLG AGQFGEVWMA DATA SEQUENCE TYNKHTKVAV KTMKPGSMSV EAFLAEANVM KTLQHDKLVK LHAVVTKEPI DATA SEQUENCE YIITEFMAKG SLLDFLKSDE GSKQPLPKLI DFSAQIAEGM AFIEQRNYIH DATA SEQUENCE RDLRAANILV SASLVCKIAD FGLARVIXXX XXXXXXXXXX PIKWTAPEAI DATA SEQUENCE NFGSFTIKSD VWSFGILLME IVTYGRIPYP GMSNPEVIRA LERGYRMPRP DATA SEQUENCE ENCPEELYNI MMRCWKNRPE ERPTFEYIQS VLDDFYTATE SQXEEIP 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 59 R HA 0.000 nan 4.340 nan 0.000 0.208 59 R C 0.000 176.284 176.300 -0.026 0.000 0.893 59 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 59 R CB 0.000 30.288 30.300 -0.021 0.000 0.687 60 I N 6.407 126.958 120.570 -0.033 0.000 2.354 60 I HA 0.390 4.560 4.170 -0.000 0.000 0.286 60 I C -0.102 176.008 176.117 -0.011 0.000 1.007 60 I CA -0.674 60.610 61.300 -0.026 0.000 1.167 60 I CB 1.591 39.562 38.000 -0.048 0.000 1.320 60 I HN 0.421 nan 8.210 nan 0.000 0.458 61 I N 7.348 127.917 120.570 -0.003 0.000 2.354 61 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 61 I C -0.001 176.120 176.117 0.006 0.000 0.989 61 I CA -0.838 60.460 61.300 -0.003 0.000 1.188 61 I CB 1.678 39.670 38.000 -0.013 0.000 1.342 61 I HN 0.322 nan 8.210 nan 0.000 0.457 62 V N 4.866 124.784 119.914 0.008 0.000 2.881 62 V HA 0.708 4.828 4.120 -0.000 0.000 0.316 62 V C -0.586 175.469 176.094 -0.065 0.000 1.070 62 V CA -0.716 61.580 62.300 -0.006 0.000 0.976 62 V CB 2.079 33.930 31.823 0.047 0.000 1.038 62 V HN 0.478 nan 8.190 nan 0.000 0.446 63 V N 2.402 122.260 119.914 -0.092 0.000 2.715 63 V HA 0.885 5.005 4.120 -0.000 0.000 0.310 63 V C 0.582 176.579 176.094 -0.162 0.000 1.054 63 V CA -0.037 62.193 62.300 -0.117 0.000 0.928 63 V CB 1.749 33.513 31.823 -0.099 0.000 1.007 63 V HN 1.654 nan 8.190 nan 0.000 0.437 64 A N 5.764 128.486 122.820 -0.163 0.000 2.409 64 A HA 0.479 4.799 4.320 -0.000 0.000 0.267 64 A C 0.691 178.214 177.584 -0.103 0.000 1.127 64 A CA -0.205 51.757 52.037 -0.124 0.000 0.795 64 A CB 0.215 19.218 19.000 0.004 0.000 1.061 64 A HN 0.976 nan 8.150 nan 0.000 0.502 65 L N 1.486 122.585 121.223 -0.206 0.000 2.270 65 L HA 0.097 4.436 4.340 -0.000 0.000 0.210 65 L C -0.235 176.189 176.870 -0.744 0.000 1.104 65 L CA 0.795 55.275 54.840 -0.599 0.000 0.804 65 L CB -0.333 41.156 42.059 -0.951 0.000 0.937 65 L HN 0.767 nan 8.230 nan 0.000 0.450 66 Y N -1.786 118.593 120.300 0.132 0.000 2.581 66 Y HA 0.333 4.883 4.550 -0.000 0.000 0.345 66 Y C -0.385 175.716 175.900 0.335 0.000 1.036 66 Y CA -1.744 56.443 58.100 0.145 0.000 1.042 66 Y CB 0.829 39.264 38.460 -0.042 0.000 1.289 66 Y HN -0.193 nan 8.280 nan 0.000 0.471 67 D N 0.812 121.424 120.400 0.354 0.000 2.372 67 D HA 0.091 4.731 4.640 -0.000 0.000 0.243 67 D C -1.256 175.126 176.300 0.135 0.000 1.121 67 D CA 0.537 54.655 54.000 0.196 0.000 0.898 67 D CB 0.877 41.735 40.800 0.096 0.000 1.202 67 D HN 0.503 nan 8.370 nan 0.000 0.428 68 Y N 0.265 120.282 120.300 -0.472 0.000 2.433 68 Y HA 0.217 4.767 4.550 -0.000 0.000 0.337 68 Y C -0.954 174.645 175.900 -0.501 0.000 1.026 68 Y CA -0.713 57.006 58.100 -0.635 0.000 1.037 68 Y CB 1.511 39.167 38.460 -1.339 0.000 1.245 68 Y HN 0.227 nan 8.280 nan 0.000 0.443 69 E N 4.496 124.113 120.200 -0.972 0.000 2.151 69 E HA 0.632 4.982 4.350 -0.000 0.000 0.275 69 E C -0.860 175.161 176.600 -0.965 0.000 0.936 69 E CA -0.787 55.189 56.400 -0.706 0.000 0.777 69 E CB 1.320 30.773 29.700 -0.411 0.000 1.108 69 E HN 0.866 nan 8.360 nan 0.000 0.401 70 A N 4.206 126.714 122.820 -0.521 0.000 2.498 70 A HA 0.180 4.500 4.320 -0.000 0.000 0.239 70 A C 0.795 178.180 177.584 -0.333 0.000 1.068 70 A CA 0.278 52.152 52.037 -0.272 0.000 0.766 70 A CB -0.167 18.816 19.000 -0.028 0.000 1.003 70 A HN 0.746 nan 8.150 nan 0.000 0.497 71 I N -2.237 118.087 120.570 -0.412 0.000 4.779 71 I HA 0.301 4.471 4.170 -0.000 0.000 0.339 71 I C 0.300 175.989 176.117 -0.714 0.000 1.293 71 I CA -0.384 60.558 61.300 -0.597 0.000 1.324 71 I CB -0.062 37.446 38.000 -0.819 0.000 1.424 71 I HN 0.564 nan 8.210 nan 0.000 0.489 72 H N 0.443 119.349 119.070 -0.274 0.000 2.760 72 H HA 0.470 5.025 4.556 -0.000 0.000 0.301 72 H C 0.593 175.773 175.328 -0.245 0.000 1.498 72 H CA -0.473 55.407 56.048 -0.280 0.000 1.525 72 H CB 0.452 30.034 29.762 -0.301 0.000 1.771 72 H HN 0.023 nan 8.280 nan 0.000 0.827 73 H N 0.381 119.470 119.070 0.032 0.000 2.357 73 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 73 H C 0.472 175.817 175.328 0.028 0.000 1.082 73 H CA 1.308 57.358 56.048 0.004 0.000 1.342 73 H CB 0.688 30.439 29.762 -0.019 0.000 1.389 73 H HN 0.619 nan 8.280 nan 0.000 0.511 74 E N 1.110 121.405 120.200 0.159 0.000 2.601 74 E HA 0.029 4.379 4.350 -0.000 0.000 0.219 74 E C -0.170 176.579 176.600 0.248 0.000 0.964 74 E CA -0.204 56.318 56.400 0.204 0.000 1.050 74 E CB 0.769 30.647 29.700 0.296 0.000 1.068 74 E HN 0.445 nan 8.360 nan 0.000 0.496 75 D N 1.344 121.858 120.400 0.190 0.000 2.339 75 D HA 0.133 4.773 4.640 -0.000 0.000 0.245 75 D C 0.124 176.594 176.300 0.284 0.000 1.115 75 D CA -0.115 54.055 54.000 0.284 0.000 0.917 75 D CB 1.418 42.417 40.800 0.331 0.000 1.192 75 D HN -0.050 nan 8.370 nan 0.000 0.428 76 L N 0.799 122.237 121.223 0.357 0.000 2.325 76 L HA 0.295 4.635 4.340 -0.000 0.000 0.279 76 L C 0.617 177.723 176.870 0.395 0.000 1.054 76 L CA -0.916 54.117 54.840 0.321 0.000 0.804 76 L CB 1.536 43.783 42.059 0.313 0.000 1.200 76 L HN 0.297 nan 8.230 nan 0.000 0.436 77 S N 1.760 117.591 115.700 0.218 0.000 2.601 77 S HA 0.727 5.196 4.470 -0.000 0.000 0.271 77 S C -0.604 174.126 174.600 0.217 0.000 1.305 77 S CA -0.378 57.868 58.200 0.078 0.000 1.022 77 S CB 0.823 64.008 63.200 -0.025 0.000 0.940 77 S HN 0.425 nan 8.310 nan 0.000 0.525 78 F N -1.024 119.031 119.950 0.174 0.000 2.713 78 F HA 0.628 5.155 4.527 -0.000 0.000 0.311 78 F C -1.043 174.831 175.800 0.124 0.000 1.141 78 F CA -1.356 56.722 58.000 0.131 0.000 0.939 78 F CB 0.922 39.999 39.000 0.127 0.000 1.325 78 F HN 0.341 nan 8.300 nan 0.000 0.453 79 Q N 0.903 120.911 119.800 0.346 0.000 2.248 79 Q HA 0.376 4.716 4.340 -0.000 0.000 0.263 79 Q C -0.922 175.255 176.000 0.294 0.000 1.007 79 Q CA -1.355 54.592 55.803 0.241 0.000 0.877 79 Q CB 2.062 30.880 28.738 0.134 0.000 1.315 79 Q HN 0.638 nan 8.270 nan 0.000 0.454 80 K N 0.183 120.710 120.400 0.213 0.000 2.530 80 K HA -0.016 4.304 4.320 -0.000 0.000 0.280 80 K C 0.691 177.330 176.600 0.064 0.000 1.004 80 K CA 1.473 57.834 56.287 0.123 0.000 1.071 80 K CB -0.243 32.293 32.500 0.059 0.000 0.876 80 K HN 0.812 nan 8.250 nan 0.000 0.487 81 G N 2.998 111.806 108.800 0.014 0.000 2.241 81 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 81 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 81 G C -0.402 174.498 174.900 0.000 0.000 0.998 81 G CA 0.195 45.290 45.100 -0.008 0.000 0.621 81 G HN 0.734 nan 8.290 nan 0.000 0.519 82 D N 1.952 122.372 120.400 0.033 0.000 2.458 82 D HA 0.414 5.054 4.640 -0.000 0.000 0.243 82 D C 0.963 177.236 176.300 -0.045 0.000 1.146 82 D CA 0.585 54.598 54.000 0.021 0.000 0.877 82 D CB 0.529 41.378 40.800 0.082 0.000 1.176 82 D HN 0.559 nan 8.370 nan 0.000 0.461 83 Q N 1.568 121.346 119.800 -0.036 0.000 2.221 83 Q HA 0.664 5.003 4.340 -0.000 0.000 0.242 83 Q C -0.210 175.756 176.000 -0.056 0.000 0.940 83 Q CA -0.495 55.276 55.803 -0.053 0.000 0.896 83 Q CB 1.671 30.388 28.738 -0.034 0.000 1.226 83 Q HN 0.376 nan 8.270 nan 0.000 0.463 84 M N 0.916 120.479 119.600 -0.061 0.000 2.421 84 M HA 0.356 4.835 4.480 -0.000 0.000 0.287 84 M C -1.151 175.136 176.300 -0.023 0.000 1.183 84 M CA -0.915 54.356 55.300 -0.049 0.000 0.916 84 M CB 2.268 34.814 32.600 -0.089 0.000 1.701 84 M HN 0.239 nan 8.290 nan 0.000 0.470 85 V N 2.849 122.753 119.914 -0.017 0.000 2.530 85 V HA 0.233 4.353 4.120 -0.000 0.000 0.282 85 V C 0.024 176.110 176.094 -0.014 0.000 1.048 85 V CA -0.686 61.605 62.300 -0.016 0.000 0.997 85 V CB 1.362 33.172 31.823 -0.021 0.000 0.987 85 V HN 0.623 nan 8.190 nan 0.000 0.477 86 V N 6.976 126.878 119.914 -0.020 0.000 2.455 86 V HA 0.188 4.307 4.120 -0.000 0.000 0.273 86 V C 0.884 176.923 176.094 -0.091 0.000 1.045 86 V CA 0.117 62.390 62.300 -0.044 0.000 0.976 86 V CB 1.036 32.799 31.823 -0.100 0.000 0.993 86 V HN 0.746 nan 8.190 nan 0.000 0.475 87 L N 3.421 124.590 121.223 -0.089 0.000 2.357 87 L HA 0.388 4.728 4.340 -0.000 0.000 0.211 87 L C 0.690 177.485 176.870 -0.124 0.000 1.075 87 L CA 0.609 55.392 54.840 -0.096 0.000 0.830 87 L CB 0.218 42.227 42.059 -0.085 0.000 0.996 87 L HN 0.581 nan 8.230 nan 0.000 0.467 88 E N -0.382 119.727 120.200 -0.152 0.000 2.356 88 E HA 0.301 4.651 4.350 -0.000 0.000 0.275 88 E C -1.164 175.200 176.600 -0.394 0.000 0.904 88 E CA -0.453 55.837 56.400 -0.184 0.000 0.757 88 E CB 2.260 31.926 29.700 -0.056 0.000 1.232 88 E HN 0.031 nan 8.360 nan 0.000 0.442 89 E N 0.976 120.868 120.200 -0.514 0.000 2.101 89 E HA 0.269 4.618 4.350 -0.000 0.000 0.260 89 E C -0.717 175.783 176.600 -0.166 0.000 0.897 89 E CA -0.184 55.693 56.400 -0.871 0.000 0.744 89 E CB 1.209 30.346 29.700 -0.939 0.000 1.140 89 E HN 0.223 nan 8.360 nan 0.000 0.419 90 S N 2.246 118.053 115.700 0.178 0.000 2.588 90 S HA 0.349 4.819 4.470 -0.000 0.000 0.245 90 S C 0.860 175.674 174.600 0.356 0.000 1.021 90 S CA -0.040 58.322 58.200 0.269 0.000 1.006 90 S CB 0.822 64.198 63.200 0.294 0.000 0.830 90 S HN 0.858 nan 8.310 nan 0.000 0.468 91 G N 2.936 112.011 108.800 0.458 0.000 2.728 91 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.269 91 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.269 91 G C 0.652 175.697 174.900 0.242 0.000 1.334 91 G CA 0.298 45.600 45.100 0.338 0.000 0.974 91 G HN 0.388 nan 8.290 nan 0.000 0.550 92 E N -0.146 120.147 120.200 0.155 0.000 2.072 92 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 92 E C 0.348 176.787 176.600 -0.268 0.000 0.985 92 E CA 1.297 57.657 56.400 -0.067 0.000 0.801 92 E CB 0.065 29.764 29.700 -0.002 0.000 0.750 92 E HN 0.447 nan 8.360 nan 0.000 0.452 93 W N -0.347 121.026 121.300 0.122 0.000 2.529 93 W HA 0.257 4.916 4.660 -0.000 0.000 0.321 93 W C -0.644 176.142 176.519 0.446 0.000 1.047 93 W CA -0.931 56.518 57.345 0.173 0.000 1.216 93 W CB 0.694 30.244 29.460 0.149 0.000 1.357 93 W HN -0.050 nan 8.180 nan 0.000 0.489 94 W N 2.973 124.456 121.300 0.305 0.000 2.496 94 W HA 0.424 5.084 4.660 -0.000 0.000 0.327 94 W C 0.060 176.684 176.519 0.174 0.000 1.086 94 W CA -2.304 55.162 57.345 0.202 0.000 1.222 94 W CB 1.031 30.536 29.460 0.075 0.000 1.304 94 W HN 0.108 nan 8.180 nan 0.000 0.547 95 K N 2.102 122.634 120.400 0.220 0.000 2.276 95 K HA 0.632 4.952 4.320 -0.000 0.000 0.283 95 K C -0.447 176.126 176.600 -0.044 0.000 1.044 95 K CA 0.008 56.206 56.287 -0.149 0.000 0.944 95 K CB 0.521 32.821 32.500 -0.333 0.000 1.012 95 K HN 0.536 nan 8.250 nan 0.000 0.472 96 A N 3.936 126.721 122.820 -0.057 0.000 2.594 96 A HA 0.519 4.839 4.320 -0.000 0.000 0.291 96 A C -1.473 176.093 177.584 -0.030 0.000 1.105 96 A CA -0.908 51.121 52.037 -0.013 0.000 0.694 96 A CB 1.433 20.457 19.000 0.039 0.000 1.291 96 A HN 0.810 nan 8.150 nan 0.000 0.410 97 R N 0.812 121.299 120.500 -0.020 0.000 2.295 97 R HA 0.519 4.859 4.340 -0.000 0.000 0.324 97 R C -0.242 176.058 176.300 -0.001 0.000 0.968 97 R CA -0.080 56.013 56.100 -0.011 0.000 0.837 97 R CB 1.250 31.541 30.300 -0.015 0.000 1.133 97 R HN 0.805 nan 8.270 nan 0.000 0.450 98 S N 3.845 119.556 115.700 0.019 0.000 2.549 98 S HA 0.086 4.556 4.470 -0.000 0.000 0.283 98 S C 1.312 175.922 174.600 0.017 0.000 1.320 98 S CA -0.447 57.768 58.200 0.025 0.000 1.058 98 S CB 0.547 63.788 63.200 0.068 0.000 0.882 98 S HN 0.720 nan 8.310 nan 0.000 0.498 99 L N 4.293 125.521 121.223 0.008 0.000 2.341 99 L HA 0.070 4.409 4.340 -0.000 0.000 0.214 99 L C 2.560 179.441 176.870 0.017 0.000 1.115 99 L CA 0.931 55.775 54.840 0.007 0.000 0.820 99 L CB -0.672 41.386 42.059 -0.002 0.000 0.944 99 L HN 0.849 nan 8.230 nan 0.000 0.452 100 A N 0.290 123.127 122.820 0.029 0.000 1.854 100 A HA -0.153 4.167 4.320 -0.000 0.000 0.214 100 A C 2.314 179.922 177.584 0.039 0.000 1.192 100 A CA 2.020 54.080 52.037 0.038 0.000 0.611 100 A CB -0.673 18.360 19.000 0.055 0.000 0.832 100 A HN 0.429 nan 8.150 nan 0.000 0.442 101 T N -5.360 109.223 114.554 0.049 0.000 3.044 101 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 101 T C 0.815 175.536 174.700 0.034 0.000 1.081 101 T CA 0.430 62.558 62.100 0.046 0.000 1.040 101 T CB 0.118 69.023 68.868 0.062 0.000 0.962 101 T HN 0.382 nan 8.240 nan 0.000 0.506 102 R N 0.591 121.109 120.500 0.029 0.000 3.953 102 R HA -0.113 4.226 4.340 -0.000 0.000 0.340 102 R C -0.631 175.681 176.300 0.021 0.000 1.195 102 R CA 0.759 56.871 56.100 0.020 0.000 0.929 102 R CB -2.424 27.885 30.300 0.015 0.000 1.402 102 R HN 0.580 nan 8.270 nan 0.000 0.540 103 K N 1.522 121.942 120.400 0.033 0.000 2.205 103 K HA 0.284 4.604 4.320 -0.000 0.000 0.279 103 K C 0.291 176.907 176.600 0.026 0.000 1.027 103 K CA -0.290 56.018 56.287 0.035 0.000 0.932 103 K CB 0.974 33.507 32.500 0.055 0.000 1.032 103 K HN 0.085 nan 8.250 nan 0.000 0.466 104 E N 0.690 120.895 120.200 0.009 0.000 2.216 104 E HA 0.483 4.833 4.350 -0.000 0.000 0.279 104 E C -0.064 176.518 176.600 -0.030 0.000 0.997 104 E CA -0.541 55.846 56.400 -0.022 0.000 0.817 104 E CB 1.649 31.326 29.700 -0.039 0.000 1.096 104 E HN 0.771 nan 8.360 nan 0.000 0.393 105 G N 1.574 110.324 108.800 -0.083 0.000 2.323 105 G HA2 0.114 4.074 3.960 -0.000 0.000 0.291 105 G HA3 0.114 4.074 3.960 -0.000 0.000 0.291 105 G C -1.927 172.877 174.900 -0.160 0.000 1.278 105 G CA -0.923 44.105 45.100 -0.122 0.000 0.860 105 G HN 0.351 nan 8.290 nan 0.000 0.504 106 Y N 0.160 120.550 120.300 0.150 0.000 2.310 106 Y HA 0.672 5.221 4.550 -0.000 0.000 0.326 106 Y C 1.052 177.178 175.900 0.376 0.000 1.151 106 Y CA -0.280 57.962 58.100 0.235 0.000 1.195 106 Y CB 1.449 39.973 38.460 0.107 0.000 1.210 106 Y HN 0.617 nan 8.280 nan 0.000 0.483 107 I N 0.534 121.435 120.570 0.552 0.000 2.828 107 I HA 0.664 4.833 4.170 -0.000 0.000 0.302 107 I C -3.026 173.124 176.117 0.055 0.000 1.101 107 I CA -3.177 58.318 61.300 0.324 0.000 1.031 107 I CB 2.481 40.560 38.000 0.132 0.000 1.231 107 I HN 0.222 nan 8.210 nan 0.000 0.427 108 P HA 0.171 nan 4.420 nan 0.000 0.282 108 P C 0.487 177.500 177.300 -0.478 0.000 1.262 108 P CA -0.367 62.215 63.100 -0.863 0.000 0.773 108 P CB 1.340 32.366 31.700 -1.124 0.000 0.879 109 S N 2.327 117.668 115.700 -0.599 0.000 2.481 109 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 109 S C 1.300 175.569 174.600 -0.552 0.000 0.996 109 S CA 0.610 58.276 58.200 -0.889 0.000 0.942 109 S CB -0.971 61.208 63.200 -1.701 0.000 0.768 109 S HN 0.506 nan 8.310 nan 0.000 0.520 110 N N 0.298 118.826 118.700 -0.286 0.000 2.521 110 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 110 N C 0.349 175.899 175.510 0.065 0.000 1.146 110 N CA 0.361 53.344 53.050 -0.113 0.000 0.893 110 N CB -0.646 37.790 38.487 -0.084 0.000 0.975 110 N HN 0.492 nan 8.380 nan 0.000 0.451 111 Y N 0.474 120.711 120.300 -0.105 0.000 2.458 111 Y HA 0.269 4.819 4.550 -0.000 0.000 0.256 111 Y C 0.854 176.737 175.900 -0.028 0.000 1.159 111 Y CA -0.654 57.529 58.100 0.139 0.000 1.261 111 Y CB 0.478 39.103 38.460 0.275 0.000 1.119 111 Y HN 0.015 nan 8.280 nan 0.000 0.524 112 V N -2.373 117.503 119.914 -0.063 0.000 2.962 112 V HA 1.026 5.146 4.120 -0.000 0.000 0.313 112 V C -0.571 175.423 176.094 -0.166 0.000 1.099 112 V CA -1.363 60.839 62.300 -0.162 0.000 0.971 112 V CB 1.497 33.193 31.823 -0.211 0.000 1.028 112 V HN -0.074 nan 8.190 nan 0.000 0.430 113 A N 2.565 125.306 122.820 -0.130 0.000 2.556 113 A HA 0.806 5.125 4.320 -0.000 0.000 0.294 113 A C -0.233 177.321 177.584 -0.049 0.000 1.091 113 A CA -1.158 50.825 52.037 -0.089 0.000 0.704 113 A CB 1.549 20.478 19.000 -0.118 0.000 1.300 113 A HN 0.924 nan 8.150 nan 0.000 0.406 114 R N 0.482 120.978 120.500 -0.006 0.000 2.638 114 R HA 0.185 4.525 4.340 -0.000 0.000 0.268 114 R C -0.173 176.102 176.300 -0.043 0.000 1.006 114 R CA -0.117 55.982 56.100 -0.001 0.000 1.088 114 R CB 0.157 30.466 30.300 0.015 0.000 0.950 114 R HN 0.479 nan 8.270 nan 0.000 0.419 115 V N 4.360 124.252 119.914 -0.037 0.000 2.720 115 V HA -0.161 3.959 4.120 -0.000 0.000 0.307 115 V C 0.844 176.904 176.094 -0.057 0.000 1.071 115 V CA 1.065 63.335 62.300 -0.050 0.000 1.199 115 V CB 0.280 32.081 31.823 -0.035 0.000 0.900 115 V HN 0.902 nan 8.190 nan 0.000 0.494 116 D N 1.481 121.836 120.400 -0.075 0.000 3.006 116 D HA -0.166 4.474 4.640 -0.000 0.000 0.208 116 D C 0.895 177.132 176.300 -0.105 0.000 1.116 116 D CA 1.522 55.474 54.000 -0.080 0.000 0.998 116 D CB -1.015 39.757 40.800 -0.046 0.000 1.124 116 D HN 0.902 nan 8.370 nan 0.000 0.413 117 S N -0.484 115.146 115.700 -0.116 0.000 2.584 117 S HA 0.270 4.740 4.470 -0.000 0.000 0.270 117 S C 1.823 176.261 174.600 -0.269 0.000 1.346 117 S CA -0.554 57.554 58.200 -0.153 0.000 1.018 117 S CB 1.021 64.154 63.200 -0.110 0.000 0.899 117 S HN 0.244 nan 8.310 nan 0.000 0.542 118 L N 0.800 121.777 121.223 -0.411 0.000 2.131 118 L HA -0.096 4.243 4.340 -0.000 0.000 0.210 118 L C 2.875 179.340 176.870 -0.676 0.000 1.092 118 L CA 1.604 56.007 54.840 -0.728 0.000 0.759 118 L CB -0.685 40.576 42.059 -1.329 0.000 0.903 118 L HN 0.847 nan 8.230 nan 0.000 0.435 119 E N -0.211 119.742 120.200 -0.412 0.000 2.233 119 E HA -0.278 4.071 4.350 -0.000 0.000 0.199 119 E C 1.987 178.431 176.600 -0.260 0.000 1.004 119 E CA 1.823 58.125 56.400 -0.163 0.000 0.819 119 E CB 0.027 29.661 29.700 -0.110 0.000 0.738 119 E HN 0.600 nan 8.360 nan 0.000 0.478 120 T N -1.177 113.196 114.554 -0.302 0.000 3.085 120 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 120 T C 0.539 175.016 174.700 -0.373 0.000 1.127 120 T CA 0.107 62.027 62.100 -0.301 0.000 1.103 120 T CB 0.095 68.823 68.868 -0.233 0.000 0.921 120 T HN -0.078 nan 8.240 nan 0.000 0.510 121 E N 1.883 121.771 120.200 -0.520 0.000 2.313 121 E HA 0.164 4.514 4.350 -0.000 0.000 0.276 121 E C 0.799 176.994 176.600 -0.674 0.000 1.031 121 E CA -0.389 55.545 56.400 -0.777 0.000 0.857 121 E CB 1.032 29.798 29.700 -1.557 0.000 1.040 121 E HN 0.328 nan 8.360 nan 0.000 0.408 122 E N 2.209 122.091 120.200 -0.530 0.000 2.118 122 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 122 E C 1.582 178.093 176.600 -0.149 0.000 0.992 122 E CA 1.178 57.413 56.400 -0.275 0.000 0.804 122 E CB -0.015 29.629 29.700 -0.092 0.000 0.741 122 E HN 0.702 nan 8.360 nan 0.000 0.458 123 W N -0.938 120.409 121.300 0.079 0.000 3.353 123 W HA 0.316 4.976 4.660 -0.000 0.000 0.304 123 W C 0.024 176.724 176.519 0.302 0.000 1.273 123 W CA -0.790 56.661 57.345 0.177 0.000 1.773 123 W CB -0.540 29.117 29.460 0.329 0.000 1.095 123 W HN -0.208 nan 8.180 nan 0.000 0.676 124 F N 1.931 121.842 119.950 -0.066 0.000 2.458 124 F HA 0.509 5.036 4.527 -0.000 0.000 0.336 124 F C -1.345 174.378 175.800 -0.128 0.000 1.114 124 F CA -1.535 56.482 58.000 0.028 0.000 0.987 124 F CB 0.978 39.799 39.000 -0.297 0.000 1.130 124 F HN -0.299 nan 8.300 nan 0.000 0.458 125 F N 5.785 125.315 119.950 -0.700 0.000 2.430 125 F HA 0.335 4.862 4.527 -0.000 0.000 0.362 125 F C 0.003 175.511 175.800 -0.486 0.000 1.103 125 F CA -0.929 56.829 58.000 -0.404 0.000 1.045 125 F CB 1.244 40.108 39.000 -0.227 0.000 1.276 125 F HN 0.347 nan 8.300 nan 0.000 0.444 126 K N 1.854 122.221 120.400 -0.055 0.000 2.401 126 K HA 0.394 4.714 4.320 -0.000 0.000 0.278 126 K C 1.078 177.726 176.600 0.080 0.000 1.018 126 K CA 0.732 57.102 56.287 0.138 0.000 0.981 126 K CB 0.498 33.151 32.500 0.256 0.000 0.933 126 K HN 0.890 nan 8.250 nan 0.000 0.477 127 G N 4.133 112.988 108.800 0.091 0.000 2.273 127 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.280 127 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.280 127 G C -0.286 174.633 174.900 0.032 0.000 1.047 127 G CA -0.032 45.104 45.100 0.061 0.000 0.869 127 G HN 0.432 nan 8.290 nan 0.000 0.502 128 I N 1.279 121.864 120.570 0.025 0.000 2.389 128 I HA 0.417 4.587 4.170 -0.000 0.000 0.288 128 I C 1.035 177.146 176.117 -0.010 0.000 0.999 128 I CA -1.082 60.225 61.300 0.011 0.000 1.129 128 I CB 1.282 39.303 38.000 0.035 0.000 1.288 128 I HN 0.394 nan 8.210 nan 0.000 0.444 129 S N 6.304 121.991 115.700 -0.021 0.000 2.614 129 S HA 0.329 4.799 4.470 -0.000 0.000 0.265 129 S C 1.340 175.902 174.600 -0.063 0.000 1.303 129 S CA -0.370 57.808 58.200 -0.037 0.000 1.000 129 S CB 1.458 64.639 63.200 -0.031 0.000 0.935 129 S HN 0.678 nan 8.310 nan 0.000 0.551 130 R N 0.677 121.105 120.500 -0.120 0.000 2.113 130 R HA -0.181 4.159 4.340 -0.000 0.000 0.244 130 R C 1.969 178.193 176.300 -0.127 0.000 1.142 130 R CA 2.001 57.952 56.100 -0.248 0.000 0.953 130 R CB -0.389 29.675 30.300 -0.394 0.000 0.860 130 R HN 0.705 nan 8.270 nan 0.000 0.438 131 K N 0.399 120.753 120.400 -0.077 0.000 2.155 131 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 131 K C 1.328 177.919 176.600 -0.014 0.000 1.052 131 K CA 1.661 57.931 56.287 -0.028 0.000 0.948 131 K CB 0.015 32.502 32.500 -0.021 0.000 0.728 131 K HN 0.212 nan 8.250 nan 0.000 0.448 132 D N -0.064 120.321 120.400 -0.025 0.000 2.149 132 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 132 D C 1.711 177.982 176.300 -0.049 0.000 0.972 132 D CA 1.229 55.209 54.000 -0.032 0.000 0.835 132 D CB -0.204 40.576 40.800 -0.033 0.000 0.966 132 D HN 0.253 nan 8.370 nan 0.000 0.476 133 A N 1.278 124.073 122.820 -0.041 0.000 1.892 133 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 133 A C 2.131 179.694 177.584 -0.035 0.000 1.188 133 A CA 1.994 53.995 52.037 -0.059 0.000 0.631 133 A CB -0.700 18.327 19.000 0.046 0.000 0.822 133 A HN 0.280 nan 8.150 nan 0.000 0.447 134 E N -0.464 119.764 120.200 0.047 0.000 2.058 134 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 134 E C 2.332 178.918 176.600 -0.023 0.000 0.997 134 E CA 1.237 57.655 56.400 0.030 0.000 0.801 134 E CB -0.121 29.632 29.700 0.088 0.000 0.746 134 E HN 0.607 nan 8.360 nan 0.000 0.450 135 R N 0.102 120.586 120.500 -0.026 0.000 2.082 135 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 135 R C 2.684 178.954 176.300 -0.051 0.000 1.136 135 R CA 1.780 57.858 56.100 -0.036 0.000 0.935 135 R CB -0.417 29.866 30.300 -0.028 0.000 0.842 135 R HN 0.327 nan 8.270 nan 0.000 0.430 136 Q N 0.518 120.274 119.800 -0.073 0.000 2.112 136 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 136 Q C 2.247 178.183 176.000 -0.108 0.000 0.987 136 Q CA 1.478 57.221 55.803 -0.100 0.000 0.858 136 Q CB -0.166 28.467 28.738 -0.176 0.000 0.905 136 Q HN 0.379 nan 8.270 nan 0.000 0.420 137 L N 0.072 121.223 121.223 -0.120 0.000 2.291 137 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 137 L C 1.950 178.784 176.870 -0.060 0.000 1.120 137 L CA 0.432 55.209 54.840 -0.105 0.000 0.799 137 L CB -0.009 41.985 42.059 -0.108 0.000 0.925 137 L HN 0.202 nan 8.230 nan 0.000 0.446 138 L N -0.570 120.623 121.223 -0.050 0.000 2.592 138 L HA 0.212 4.552 4.340 -0.000 0.000 0.227 138 L C 1.196 178.051 176.870 -0.025 0.000 1.127 138 L CA -0.483 54.337 54.840 -0.034 0.000 0.884 138 L CB -0.229 41.807 42.059 -0.039 0.000 1.065 138 L HN 0.116 nan 8.230 nan 0.000 0.457 139 A N 0.679 123.483 122.820 -0.028 0.000 2.386 139 A HA 0.395 4.715 4.320 -0.000 0.000 0.248 139 A C -2.144 175.437 177.584 -0.005 0.000 1.082 139 A CA -1.073 50.956 52.037 -0.014 0.000 0.789 139 A CB -0.358 18.633 19.000 -0.015 0.000 1.025 139 A HN -0.040 nan 8.150 nan 0.000 0.490 140 P HA 0.221 nan 4.420 nan 0.000 0.263 140 P C 1.022 178.327 177.300 0.008 0.000 1.175 140 P CA 2.027 65.134 63.100 0.011 0.000 0.761 140 P CB 0.531 32.243 31.700 0.020 0.000 0.794 141 G N 1.591 110.395 108.800 0.008 0.000 2.278 141 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.210 141 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.210 141 G C 0.395 175.296 174.900 0.002 0.000 1.000 141 G CA -0.450 44.654 45.100 0.008 0.000 0.635 141 G HN 0.540 nan 8.290 nan 0.000 0.495 142 N N 0.503 119.201 118.700 -0.004 0.000 2.538 142 N HA 0.839 5.579 4.740 -0.000 0.000 0.292 142 N C 0.461 175.971 175.510 0.001 0.000 1.262 142 N CA 0.688 53.732 53.050 -0.010 0.000 0.976 142 N CB 0.992 39.463 38.487 -0.027 0.000 1.161 142 N HN 0.730 nan 8.380 nan 0.000 0.598 143 M N -1.722 117.882 119.600 0.007 0.000 2.949 143 M HA 0.363 4.843 4.480 -0.000 0.000 0.270 143 M C -1.463 174.857 176.300 0.032 0.000 1.221 143 M CA -0.928 54.382 55.300 0.017 0.000 0.818 143 M CB 0.947 33.556 32.600 0.015 0.000 1.635 143 M HN 0.058 nan 8.290 nan 0.000 0.492 144 L N 2.743 123.986 121.223 0.033 0.000 2.640 144 L HA 0.282 4.621 4.340 -0.000 0.000 0.280 144 L C 1.282 178.191 176.870 0.064 0.000 1.229 144 L CA 2.870 57.739 54.840 0.047 0.000 0.919 144 L CB 0.030 42.105 42.059 0.027 0.000 1.168 144 L HN 1.037 nan 8.230 nan 0.000 0.496 145 G N 2.391 111.241 108.800 0.082 0.000 2.205 145 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 145 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 145 G C 0.630 175.663 174.900 0.222 0.000 0.980 145 G CA 0.328 45.501 45.100 0.122 0.000 0.632 145 G HN 0.757 nan 8.290 nan 0.000 0.533 146 S N 0.868 116.652 115.700 0.139 0.000 2.546 146 S HA 0.529 4.999 4.470 -0.000 0.000 0.290 146 S C -0.012 174.661 174.600 0.123 0.000 1.290 146 S CA 0.745 58.994 58.200 0.081 0.000 1.069 146 S CB 0.018 63.208 63.200 -0.016 0.000 0.846 146 S HN 1.153 nan 8.310 nan 0.000 0.495 147 F N 0.608 120.563 119.950 0.007 0.000 2.650 147 F HA 0.859 5.386 4.527 -0.000 0.000 0.320 147 F C -0.729 175.085 175.800 0.023 0.000 1.091 147 F CA -1.612 56.387 58.000 -0.001 0.000 0.962 147 F CB 1.374 40.376 39.000 0.003 0.000 1.363 147 F HN 0.489 nan 8.300 nan 0.000 0.482 148 M N 1.899 121.624 119.600 0.209 0.000 2.520 148 M HA 0.684 5.164 4.480 -0.000 0.000 0.283 148 M C -2.183 174.299 176.300 0.304 0.000 1.237 148 M CA -0.864 54.569 55.300 0.222 0.000 0.885 148 M CB 2.596 35.106 32.600 -0.150 0.000 1.727 148 M HN 0.465 nan 8.290 nan 0.000 0.468 149 I N 2.788 123.602 120.570 0.407 0.000 2.385 149 I HA 0.634 4.803 4.170 -0.000 0.000 0.294 149 I C -0.057 176.079 176.117 0.031 0.000 0.988 149 I CA -0.255 61.217 61.300 0.285 0.000 1.265 149 I CB 1.146 39.406 38.000 0.433 0.000 1.388 149 I HN 0.914 nan 8.210 nan 0.000 0.480 150 R N 2.852 123.342 120.500 -0.017 0.000 2.831 150 R HA 0.535 4.875 4.340 -0.000 0.000 0.266 150 R C -1.273 175.089 176.300 0.103 0.000 1.051 150 R CA -0.972 54.997 56.100 -0.218 0.000 0.943 150 R CB 1.265 31.518 30.300 -0.078 0.000 1.228 150 R HN 0.348 nan 8.270 nan 0.000 0.467 151 D N 1.464 121.930 120.400 0.110 0.000 2.417 151 D HA -0.009 4.631 4.640 -0.000 0.000 0.250 151 D C -0.236 176.121 176.300 0.095 0.000 1.166 151 D CA 0.425 54.556 54.000 0.218 0.000 0.881 151 D CB 1.488 42.399 40.800 0.185 0.000 1.164 151 D HN 0.410 nan 8.370 nan 0.000 0.467 152 S N 1.649 117.386 115.700 0.061 0.000 2.537 152 S HA -0.082 4.387 4.470 -0.000 0.000 0.286 152 S C 1.183 175.783 174.600 -0.001 0.000 1.299 152 S CA -0.202 58.011 58.200 0.020 0.000 1.067 152 S CB 0.934 64.135 63.200 0.002 0.000 0.864 152 S HN 0.475 nan 8.310 nan 0.000 0.494 153 E N 2.596 122.789 120.200 -0.013 0.000 2.076 153 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 153 E C 1.545 178.136 176.600 -0.015 0.000 0.979 153 E CA 1.518 57.908 56.400 -0.016 0.000 0.807 153 E CB -0.128 29.551 29.700 -0.035 0.000 0.761 153 E HN 0.899 nan 8.360 nan 0.000 0.454 154 T N -2.659 111.882 114.554 -0.022 0.000 3.044 154 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 154 T C 0.790 175.483 174.700 -0.012 0.000 1.081 154 T CA 0.058 62.148 62.100 -0.017 0.000 1.040 154 T CB 0.446 69.300 68.868 -0.023 0.000 0.962 154 T HN -0.141 nan 8.240 nan 0.000 0.506 155 T N 2.640 117.185 114.554 -0.015 0.000 3.427 155 T HA 0.326 4.675 4.350 -0.000 0.000 0.306 155 T C -0.198 174.484 174.700 -0.030 0.000 1.733 155 T CA -0.650 61.440 62.100 -0.016 0.000 1.599 155 T CB 0.469 69.329 68.868 -0.013 0.000 0.964 155 T HN 0.338 nan 8.240 nan 0.000 0.701 156 K N 1.363 121.750 120.400 -0.022 0.000 2.511 156 K HA 0.115 4.435 4.320 -0.000 0.000 0.277 156 K C 1.352 177.923 176.600 -0.049 0.000 1.025 156 K CA 1.657 57.928 56.287 -0.026 0.000 1.112 156 K CB -0.190 32.306 32.500 -0.007 0.000 0.859 156 K HN 0.735 nan 8.250 nan 0.000 0.485 157 G N 2.131 110.878 108.800 -0.087 0.000 2.213 157 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.226 157 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.226 157 G C -0.065 174.671 174.900 -0.272 0.000 0.992 157 G CA 0.201 45.228 45.100 -0.122 0.000 0.632 157 G HN 0.645 nan 8.290 nan 0.000 0.511 158 S N -0.995 114.533 115.700 -0.287 0.000 2.786 158 S HA 0.891 5.361 4.470 -0.000 0.000 0.307 158 S C -0.877 173.432 174.600 -0.485 0.000 1.121 158 S CA -0.532 57.455 58.200 -0.355 0.000 0.975 158 S CB 1.226 64.376 63.200 -0.083 0.000 1.220 158 S HN 0.359 nan 8.310 nan 0.000 0.550 159 Y N 0.110 120.498 120.300 0.146 0.000 2.536 159 Y HA 0.654 5.204 4.550 -0.000 0.000 0.347 159 Y C 0.150 176.109 175.900 0.099 0.000 1.000 159 Y CA -0.764 57.420 58.100 0.141 0.000 1.051 159 Y CB 1.831 40.391 38.460 0.165 0.000 1.259 159 Y HN 0.477 nan 8.280 nan 0.000 0.468 160 S N 1.594 117.450 115.700 0.259 0.000 2.570 160 S HA 0.587 5.056 4.470 -0.000 0.000 0.286 160 S C -1.759 172.948 174.600 0.179 0.000 1.099 160 S CA -0.665 57.643 58.200 0.180 0.000 0.913 160 S CB 1.996 65.274 63.200 0.131 0.000 1.085 160 S HN 0.512 nan 8.310 nan 0.000 0.480 161 L N 2.303 123.631 121.223 0.176 0.000 2.289 161 L HA 0.695 5.035 4.340 -0.000 0.000 0.285 161 L C -0.634 176.360 176.870 0.206 0.000 1.049 161 L CA 0.341 55.280 54.840 0.164 0.000 0.804 161 L CB 1.318 43.425 42.059 0.080 0.000 1.195 161 L HN 0.586 nan 8.230 nan 0.000 0.428 162 S N 3.907 119.700 115.700 0.154 0.000 2.552 162 S HA 0.765 5.235 4.470 -0.000 0.000 0.314 162 S C -1.016 173.612 174.600 0.047 0.000 1.099 162 S CA -0.591 57.632 58.200 0.039 0.000 1.070 162 S CB 1.575 64.802 63.200 0.046 0.000 0.998 162 S HN 0.436 nan 8.310 nan 0.000 0.474 163 V N 3.000 122.923 119.914 0.015 0.000 2.540 163 V HA 0.528 4.647 4.120 -0.000 0.000 0.302 163 V C 0.051 176.150 176.094 0.008 0.000 1.035 163 V CA -1.180 61.165 62.300 0.075 0.000 0.873 163 V CB 1.633 33.525 31.823 0.114 0.000 0.992 163 V HN 0.812 nan 8.190 nan 0.000 0.428 164 R N 2.634 123.152 120.500 0.028 0.000 2.401 164 R HA 0.388 4.728 4.340 -0.000 0.000 0.299 164 R C -0.628 175.698 176.300 0.044 0.000 1.064 164 R CA 0.386 56.495 56.100 0.015 0.000 1.000 164 R CB 0.334 30.647 30.300 0.021 0.000 0.973 164 R HN 0.936 nan 8.270 nan 0.000 0.438 165 D N 2.217 122.640 120.400 0.038 0.000 2.566 165 D HA 0.274 4.914 4.640 -0.000 0.000 0.254 165 D C -1.962 174.409 176.300 0.119 0.000 1.090 165 D CA -0.555 53.486 54.000 0.069 0.000 1.034 165 D CB 0.823 41.646 40.800 0.037 0.000 1.434 165 D HN 0.462 nan 8.370 nan 0.000 0.509 166 Y N 0.868 121.163 120.300 -0.008 0.000 2.332 166 Y HA 0.371 4.921 4.550 -0.000 0.000 0.325 166 Y C -1.589 174.306 175.900 -0.009 0.000 1.054 166 Y CA -0.717 57.376 58.100 -0.012 0.000 1.119 166 Y CB 1.566 40.021 38.460 -0.009 0.000 1.168 166 Y HN 0.204 nan 8.280 nan 0.000 0.439 167 D N 8.164 128.330 120.400 -0.391 0.000 2.217 167 D HA 0.267 4.907 4.640 -0.000 0.000 0.243 167 D C -1.926 174.167 176.300 -0.345 0.000 1.054 167 D CA -1.740 52.118 54.000 -0.238 0.000 0.838 167 D CB 2.472 43.166 40.800 -0.175 0.000 1.162 167 D HN 0.337 nan 8.370 nan 0.000 0.472 168 P HA -0.070 nan 4.420 nan 0.000 0.214 168 P C 1.137 178.403 177.300 -0.058 0.000 1.163 168 P CA 1.091 64.204 63.100 0.022 0.000 0.883 168 P CB 0.457 32.202 31.700 0.074 0.000 0.788 169 R N -0.903 119.562 120.500 -0.059 0.000 2.193 169 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 169 R C 1.832 178.081 176.300 -0.085 0.000 1.110 169 R CA 1.165 57.233 56.100 -0.053 0.000 0.988 169 R CB -0.239 30.040 30.300 -0.035 0.000 0.871 169 R HN 0.285 nan 8.270 nan 0.000 0.458 170 Q N -1.958 117.749 119.800 -0.155 0.000 2.215 170 Q HA 0.291 4.631 4.340 -0.000 0.000 0.257 170 Q C 0.776 176.609 176.000 -0.278 0.000 0.792 170 Q CA 0.778 56.476 55.803 -0.175 0.000 0.958 170 Q CB 1.668 30.322 28.738 -0.139 0.000 1.158 170 Q HN 0.300 nan 8.270 nan 0.000 0.490 171 G N 1.511 110.006 108.800 -0.509 0.000 2.472 171 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.205 171 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.205 171 G C -1.241 173.210 174.900 -0.749 0.000 1.270 171 G CA -0.574 44.059 45.100 -0.778 0.000 0.974 171 G HN 0.068 nan 8.290 nan 0.000 0.542 172 D N 2.152 122.355 120.400 -0.329 0.000 2.451 172 D HA 0.464 5.104 4.640 -0.000 0.000 0.254 172 D C 1.020 177.253 176.300 -0.113 0.000 1.204 172 D CA 1.534 55.493 54.000 -0.068 0.000 0.896 172 D CB 0.529 41.374 40.800 0.075 0.000 1.136 172 D HN 0.824 nan 8.370 nan 0.000 0.499 173 T N -1.384 113.115 114.554 -0.091 0.000 2.887 173 T HA 0.659 5.009 4.350 -0.000 0.000 0.292 173 T C -0.239 174.419 174.700 -0.070 0.000 1.087 173 T CA -0.914 61.132 62.100 -0.089 0.000 1.009 173 T CB 1.539 70.345 68.868 -0.103 0.000 1.203 173 T HN -0.004 nan 8.240 nan 0.000 0.518 174 V N 1.704 121.561 119.914 -0.095 0.000 2.555 174 V HA 0.652 4.772 4.120 -0.000 0.000 0.302 174 V C -0.599 175.325 176.094 -0.283 0.000 1.038 174 V CA -0.889 61.310 62.300 -0.168 0.000 0.887 174 V CB 1.890 33.617 31.823 -0.160 0.000 0.991 174 V HN 0.797 nan 8.190 nan 0.000 0.434 175 K N 2.691 122.867 120.400 -0.373 0.000 2.340 175 K HA 0.634 4.954 4.320 -0.000 0.000 0.244 175 K C -1.038 175.131 176.600 -0.719 0.000 0.973 175 K CA -0.726 55.294 56.287 -0.445 0.000 0.828 175 K CB 1.918 34.257 32.500 -0.269 0.000 1.226 175 K HN 0.708 nan 8.250 nan 0.000 0.437 176 H N 1.268 120.122 119.070 -0.361 0.000 2.538 176 H HA 0.368 4.923 4.556 -0.000 0.000 0.353 176 H C -0.891 174.128 175.328 -0.514 0.000 1.109 176 H CA -0.464 55.421 56.048 -0.272 0.000 1.192 176 H CB 1.341 31.018 29.762 -0.142 0.000 1.555 176 H HN 0.428 nan 8.280 nan 0.000 0.518 177 Y N 1.171 121.506 120.300 0.058 0.000 2.361 177 Y HA 0.184 4.734 4.550 -0.000 0.000 0.337 177 Y C 0.419 176.333 175.900 0.023 0.000 0.965 177 Y CA -1.043 57.060 58.100 0.006 0.000 1.091 177 Y CB 1.483 39.898 38.460 -0.075 0.000 1.182 177 Y HN 0.258 nan 8.280 nan 0.000 0.450 178 K N 4.195 124.678 120.400 0.137 0.000 2.447 178 K HA 0.221 4.541 4.320 -0.000 0.000 0.281 178 K C -0.377 176.272 176.600 0.081 0.000 1.031 178 K CA 0.218 56.558 56.287 0.089 0.000 1.019 178 K CB 0.759 33.286 32.500 0.045 0.000 0.918 178 K HN 0.696 nan 8.250 nan 0.000 0.476 179 I N 4.258 124.885 120.570 0.096 0.000 2.365 179 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 179 I C 0.652 176.806 176.117 0.062 0.000 1.004 179 I CA -0.605 60.755 61.300 0.099 0.000 1.311 179 I CB 0.860 38.960 38.000 0.166 0.000 1.401 179 I HN 0.154 nan 8.210 nan 0.000 0.491 180 R N 3.558 123.990 120.500 -0.113 0.000 2.407 180 R HA 0.538 4.878 4.340 -0.000 0.000 0.303 180 R C -0.347 175.931 176.300 -0.037 0.000 0.981 180 R CA -0.423 55.532 56.100 -0.240 0.000 0.905 180 R CB 1.770 31.598 30.300 -0.787 0.000 1.099 180 R HN 0.625 nan 8.270 nan 0.000 0.459 181 T N 1.305 115.890 114.554 0.053 0.000 2.906 181 T HA 0.699 5.049 4.350 -0.000 0.000 0.295 181 T C -0.686 174.035 174.700 0.036 0.000 1.075 181 T CA -0.427 61.708 62.100 0.058 0.000 1.005 181 T CB 1.344 70.311 68.868 0.165 0.000 1.136 181 T HN 0.412 nan 8.240 nan 0.000 0.498 182 L N 1.730 122.958 121.223 0.008 0.000 3.371 182 L HA 0.646 4.986 4.340 -0.000 0.000 0.223 182 L C -0.489 176.378 176.870 -0.005 0.000 1.897 182 L CA -0.258 54.594 54.840 0.020 0.000 1.903 182 L CB 0.519 42.607 42.059 0.048 0.000 1.877 182 L HN 0.656 nan 8.230 nan 0.000 0.559 183 D N -0.778 119.619 120.400 -0.005 0.000 2.399 183 D HA 0.208 4.848 4.640 -0.000 0.000 0.288 183 D C 0.501 176.776 176.300 -0.042 0.000 1.197 183 D CA 0.765 54.754 54.000 -0.018 0.000 1.081 183 D CB 0.338 41.133 40.800 -0.008 0.000 1.139 183 D HN 0.530 nan 8.370 nan 0.000 0.554 184 N N -0.924 117.753 118.700 -0.038 0.000 2.922 184 N HA -0.259 4.481 4.740 -0.000 0.000 0.224 184 N C 0.857 176.319 175.510 -0.081 0.000 0.833 184 N CA 2.677 55.697 53.050 -0.050 0.000 1.103 184 N CB -1.040 37.418 38.487 -0.049 0.000 1.000 184 N HN 0.654 nan 8.380 nan 0.000 0.621 185 G N -1.666 107.059 108.800 -0.125 0.000 2.160 185 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.251 185 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.251 185 G C 0.386 175.034 174.900 -0.420 0.000 1.008 185 G CA 1.128 46.111 45.100 -0.195 0.000 0.724 185 G HN 1.081 nan 8.290 nan 0.000 0.514 186 G N -1.258 107.284 108.800 -0.430 0.000 2.552 186 G HA2 0.808 4.768 3.960 -0.000 0.000 0.324 186 G HA3 0.808 4.768 3.960 -0.000 0.000 0.324 186 G C -0.877 173.636 174.900 -0.645 0.000 1.217 186 G CA -1.206 43.634 45.100 -0.433 0.000 0.989 186 G HN 0.416 nan 8.290 nan 0.000 0.490 187 F N -0.291 119.783 119.950 0.207 0.000 2.569 187 F HA 0.547 5.074 4.527 -0.000 0.000 0.312 187 F C -0.617 175.371 175.800 0.313 0.000 1.109 187 F CA -0.864 57.271 58.000 0.226 0.000 0.919 187 F CB 2.257 41.393 39.000 0.226 0.000 1.211 187 F HN 0.642 nan 8.300 nan 0.000 0.446 188 Y N 0.594 121.085 120.300 0.318 0.000 2.534 188 Y HA 0.731 5.281 4.550 -0.000 0.000 0.345 188 Y C -0.664 175.381 175.900 0.242 0.000 1.031 188 Y CA -1.264 56.969 58.100 0.222 0.000 1.022 188 Y CB 1.078 39.560 38.460 0.036 0.000 1.292 188 Y HN 0.523 nan 8.280 nan 0.000 0.459 189 I N 1.529 122.297 120.570 0.330 0.000 2.556 189 I HA 0.016 4.186 4.170 -0.000 0.000 0.251 189 I C 0.357 176.651 176.117 0.296 0.000 1.105 189 I CA 0.585 61.987 61.300 0.171 0.000 1.436 189 I CB 0.226 38.248 38.000 0.037 0.000 1.139 189 I HN 0.696 nan 8.210 nan 0.000 0.438 190 S N 0.267 116.202 115.700 0.391 0.000 2.473 190 S HA 0.386 4.856 4.470 -0.000 0.000 0.307 190 S C -2.031 172.704 174.600 0.226 0.000 1.094 190 S CA -1.488 56.908 58.200 0.326 0.000 1.070 190 S CB 1.698 65.016 63.200 0.197 0.000 1.019 190 S HN -0.181 nan 8.310 nan 0.000 0.480 191 P HA -0.248 nan 4.420 nan 0.000 0.218 191 P C 1.467 178.565 177.300 -0.337 0.000 1.150 191 P CA 1.505 64.318 63.100 -0.479 0.000 0.841 191 P CB -0.038 31.486 31.700 -0.294 0.000 0.784 192 R N -1.661 118.742 120.500 -0.161 0.000 2.090 192 R HA 0.073 4.413 4.340 -0.000 0.000 0.228 192 R C 0.987 177.164 176.300 -0.204 0.000 1.110 192 R CA 0.982 56.993 56.100 -0.148 0.000 0.973 192 R CB -0.868 29.387 30.300 -0.075 0.000 0.869 192 R HN -0.073 nan 8.270 nan 0.000 0.440 193 S N 0.579 116.161 115.700 -0.197 0.000 2.404 193 S HA 0.218 4.688 4.470 -0.000 0.000 0.309 193 S C -1.061 173.135 174.600 -0.674 0.000 1.076 193 S CA -0.450 57.510 58.200 -0.401 0.000 1.095 193 S CB 1.324 64.396 63.200 -0.213 0.000 0.972 193 S HN 0.337 nan 8.310 nan 0.000 0.484 194 T N 4.624 118.632 114.554 -0.910 0.000 2.863 194 T HA 0.757 5.107 4.350 -0.000 0.000 0.285 194 T C -1.464 172.664 174.700 -0.954 0.000 1.009 194 T CA -0.431 61.225 62.100 -0.739 0.000 0.989 194 T CB 0.302 68.974 68.868 -0.328 0.000 1.004 194 T HN 0.412 nan 8.240 nan 0.000 0.455 195 F N 1.832 121.826 119.950 0.073 0.000 2.569 195 F HA 0.352 4.879 4.527 -0.000 0.000 0.312 195 F C 1.577 177.455 175.800 0.131 0.000 1.109 195 F CA -1.081 56.964 58.000 0.075 0.000 0.919 195 F CB 1.896 40.943 39.000 0.077 0.000 1.211 195 F HN 0.594 nan 8.300 nan 0.000 0.446 196 S N 0.067 115.925 115.700 0.263 0.000 2.383 196 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 196 S C 0.669 175.440 174.600 0.285 0.000 1.026 196 S CA 1.271 59.580 58.200 0.181 0.000 0.981 196 S CB -0.607 62.669 63.200 0.126 0.000 0.818 196 S HN 0.791 nan 8.310 nan 0.000 0.472 197 T N -1.937 112.834 114.554 0.361 0.000 2.901 197 T HA 0.635 4.985 4.350 -0.000 0.000 0.293 197 T C 0.807 175.670 174.700 0.273 0.000 1.084 197 T CA -0.895 61.438 62.100 0.388 0.000 1.008 197 T CB 1.255 70.249 68.868 0.209 0.000 1.170 197 T HN 0.049 nan 8.240 nan 0.000 0.509 198 L N 0.357 121.560 121.223 -0.033 0.000 2.131 198 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 198 L C 3.017 179.651 176.870 -0.393 0.000 1.092 198 L CA 1.031 55.651 54.840 -0.368 0.000 0.759 198 L CB -0.423 41.348 42.059 -0.479 0.000 0.903 198 L HN 0.688 nan 8.230 nan 0.000 0.435 199 Q N 0.338 120.049 119.800 -0.148 0.000 2.167 199 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 199 Q C 1.970 177.847 176.000 -0.205 0.000 0.970 199 Q CA 1.467 57.195 55.803 -0.125 0.000 0.855 199 Q CB 0.080 28.927 28.738 0.181 0.000 0.911 199 Q HN 0.589 nan 8.270 nan 0.000 0.438 200 E N 0.118 120.233 120.200 -0.141 0.000 2.107 200 E HA -0.117 4.232 4.350 -0.000 0.000 0.191 200 E C 2.138 178.350 176.600 -0.646 0.000 0.982 200 E CA 0.369 56.650 56.400 -0.199 0.000 0.809 200 E CB -0.079 29.647 29.700 0.044 0.000 0.756 200 E HN 0.242 nan 8.360 nan 0.000 0.459 201 L N 1.099 121.879 121.223 -0.738 0.000 2.043 201 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 201 L C 2.567 179.039 176.870 -0.663 0.000 1.075 201 L CA 1.264 55.474 54.840 -1.050 0.000 0.752 201 L CB -0.200 41.648 42.059 -0.351 0.000 0.891 201 L HN 0.099 nan 8.230 nan 0.000 0.432 202 V N -1.198 118.347 119.914 -0.614 0.000 2.453 202 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 202 V C 1.960 177.760 176.094 -0.490 0.000 1.048 202 V CA 2.178 64.098 62.300 -0.632 0.000 1.049 202 V CB -0.466 30.801 31.823 -0.927 0.000 0.672 202 V HN 0.477 nan 8.190 nan 0.000 0.457 203 D N -0.635 119.527 120.400 -0.398 0.000 2.144 203 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 203 D C 1.878 178.011 176.300 -0.278 0.000 0.984 203 D CA 1.877 55.720 54.000 -0.262 0.000 0.834 203 D CB -0.220 40.476 40.800 -0.173 0.000 0.955 203 D HN 0.798 nan 8.370 nan 0.000 0.465 204 H N -0.294 118.453 119.070 -0.537 0.000 2.269 204 H HA -0.148 4.407 4.556 -0.000 0.000 0.299 204 H C 1.057 176.078 175.328 -0.511 0.000 1.058 204 H CA 1.640 57.342 56.048 -0.578 0.000 1.246 204 H CB -0.514 28.685 29.762 -0.938 0.000 1.376 204 H HN 0.094 nan 8.280 nan 0.000 0.503 205 Y N 0.842 120.975 120.300 -0.278 0.000 2.749 205 Y HA -0.017 4.532 4.550 -0.000 0.000 0.321 205 Y C 1.997 177.677 175.900 -0.366 0.000 1.195 205 Y CA 0.506 58.411 58.100 -0.325 0.000 1.338 205 Y CB -0.323 37.961 38.460 -0.293 0.000 1.017 205 Y HN 0.261 nan 8.280 nan 0.000 0.517 206 K N 0.243 120.479 120.400 -0.274 0.000 2.242 206 K HA 0.010 4.330 4.320 -0.000 0.000 0.200 206 K C 0.713 177.217 176.600 -0.159 0.000 1.050 206 K CA 0.304 56.468 56.287 -0.205 0.000 0.981 206 K CB 0.324 32.720 32.500 -0.173 0.000 0.795 206 K HN -0.009 nan 8.250 nan 0.000 0.477 207 K N 0.682 120.950 120.400 -0.220 0.000 2.389 207 K HA 0.233 4.552 4.320 -0.000 0.000 0.261 207 K C -0.918 175.535 176.600 -0.245 0.000 1.014 207 K CA -0.073 56.102 56.287 -0.188 0.000 0.920 207 K CB 1.184 33.589 32.500 -0.159 0.000 1.149 207 K HN 0.252 nan 8.250 nan 0.000 0.444 208 G N 3.175 111.882 108.800 -0.155 0.000 2.764 208 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 208 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 208 G C -0.828 174.006 174.900 -0.111 0.000 1.258 208 G CA -0.525 44.498 45.100 -0.129 0.000 0.846 208 G HN 0.835 nan 8.290 nan 0.000 0.596 209 N N 1.626 120.310 118.700 -0.026 0.000 2.949 209 N HA 0.175 4.915 4.740 -0.000 0.000 0.243 209 N C -0.106 175.464 175.510 0.100 0.000 1.113 209 N CA -0.376 52.704 53.050 0.050 0.000 0.980 209 N CB 1.397 39.895 38.487 0.020 0.000 1.256 209 N HN 0.683 nan 8.380 nan 0.000 0.508 210 D N 1.922 122.428 120.400 0.178 0.000 2.569 210 D HA -0.012 4.628 4.640 -0.000 0.000 0.254 210 D C 1.152 177.611 176.300 0.264 0.000 1.274 210 D CA 1.327 55.484 54.000 0.261 0.000 1.306 210 D CB -0.559 40.485 40.800 0.406 0.000 1.139 210 D HN 0.822 nan 8.370 nan 0.000 0.511 211 G N 3.046 111.926 108.800 0.134 0.000 2.320 211 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 211 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 211 G C 0.711 175.630 174.900 0.032 0.000 1.033 211 G CA 0.179 45.333 45.100 0.091 0.000 0.620 211 G HN 0.510 nan 8.290 nan 0.000 0.517 212 L N 1.331 122.524 121.223 -0.050 0.000 2.473 212 L HA 0.143 4.483 4.340 -0.000 0.000 0.268 212 L C 2.740 179.593 176.870 -0.028 0.000 1.215 212 L CA 0.272 54.980 54.840 -0.221 0.000 0.823 212 L CB 0.602 42.407 42.059 -0.424 0.000 1.099 212 L HN 0.669 nan 8.230 nan 0.000 0.483 213 C N 0.043 119.386 119.300 0.072 0.000 2.449 213 C HA 0.046 4.506 4.460 -0.000 0.000 0.283 213 C C 0.643 175.670 174.990 0.062 0.000 1.453 213 C CA 0.049 59.135 59.018 0.113 0.000 1.779 213 C CB -0.845 27.001 27.740 0.176 0.000 1.779 213 C HN 0.810 nan 8.230 nan 0.000 0.546 214 Q N 0.273 120.088 119.800 0.025 0.000 2.616 214 Q HA 0.323 4.663 4.340 -0.000 0.000 0.254 214 Q C -1.295 174.697 176.000 -0.012 0.000 0.975 214 Q CA -0.235 55.582 55.803 0.023 0.000 0.976 214 Q CB 1.112 29.878 28.738 0.047 0.000 1.594 214 Q HN 0.691 nan 8.270 nan 0.000 0.425 215 K N 2.442 122.837 120.400 -0.008 0.000 2.218 215 K HA 0.607 4.927 4.320 -0.000 0.000 0.276 215 K C -0.472 176.112 176.600 -0.028 0.000 1.022 215 K CA -0.593 55.677 56.287 -0.030 0.000 0.946 215 K CB 0.707 33.185 32.500 -0.037 0.000 1.000 215 K HN 0.509 nan 8.250 nan 0.000 0.468 216 L N 2.905 124.071 121.223 -0.094 0.000 2.416 216 L HA 0.032 4.372 4.340 -0.000 0.000 0.272 216 L C 1.189 178.096 176.870 0.062 0.000 1.161 216 L CA -0.200 54.577 54.840 -0.104 0.000 0.845 216 L CB 1.057 42.683 42.059 -0.721 0.000 1.119 216 L HN 1.088 nan 8.230 nan 0.000 0.464 217 S N 2.261 118.132 115.700 0.285 0.000 2.860 217 S HA 0.244 4.714 4.470 -0.000 0.000 0.181 217 S C 0.244 175.072 174.600 0.380 0.000 0.763 217 S CA -0.119 58.225 58.200 0.241 0.000 0.829 217 S CB 0.555 63.844 63.200 0.147 0.000 0.793 217 S HN 0.368 nan 8.310 nan 0.000 0.614 218 V N 3.218 123.294 119.914 0.271 0.000 2.914 218 V HA 0.628 4.748 4.120 -0.000 0.000 0.314 218 V C -2.955 172.850 176.094 -0.481 0.000 1.084 218 V CA -2.610 59.722 62.300 0.053 0.000 0.963 218 V CB 1.918 33.756 31.823 0.025 0.000 1.025 218 V HN 0.306 nan 8.190 nan 0.000 0.432 219 P HA 0.106 nan 4.420 nan 0.000 0.270 219 P C -0.265 176.822 177.300 -0.355 0.000 1.227 219 P CA -0.072 62.544 63.100 -0.807 0.000 0.788 219 P CB 0.236 31.804 31.700 -0.220 0.000 0.926 220 C N 2.754 121.897 119.300 -0.261 0.000 2.741 220 C HA 0.094 4.553 4.460 -0.000 0.000 0.403 220 C C 0.565 175.573 174.990 0.030 0.000 1.282 220 C CA -0.263 58.661 59.018 -0.157 0.000 2.053 220 C CB -1.190 26.315 27.740 -0.391 0.000 2.731 220 C HN 0.374 nan 8.230 nan 0.000 0.680 221 M N 4.374 123.986 119.600 0.020 0.000 2.211 221 M HA 0.239 4.719 4.480 -0.000 0.000 0.356 221 M C 0.243 176.646 176.300 0.171 0.000 1.216 221 M CA 0.668 56.015 55.300 0.078 0.000 1.134 221 M CB 0.825 33.446 32.600 0.034 0.000 1.564 221 M HN 0.715 nan 8.290 nan 0.000 0.463 222 S N 1.689 117.502 115.700 0.188 0.000 2.473 222 S HA 0.570 5.040 4.470 -0.000 0.000 0.307 222 S C -0.077 174.577 174.600 0.089 0.000 1.094 222 S CA -0.838 57.473 58.200 0.186 0.000 1.070 222 S CB 1.543 64.843 63.200 0.166 0.000 1.019 222 S HN 0.728 nan 8.310 nan 0.000 0.480 223 S N 2.051 117.770 115.700 0.031 0.000 2.651 223 S HA 0.523 4.992 4.470 -0.000 0.000 0.291 223 S C -0.236 174.250 174.600 -0.190 0.000 1.141 223 S CA -1.075 57.105 58.200 -0.034 0.000 1.027 223 S CB 0.756 63.940 63.200 -0.027 0.000 1.043 223 S HN 0.730 nan 8.310 nan 0.000 0.530 224 K N 1.068 121.292 120.400 -0.293 0.000 2.485 224 K HA 0.182 4.502 4.320 -0.000 0.000 0.277 224 K C -2.470 173.784 176.600 -0.576 0.000 0.990 224 K CA -0.825 55.036 56.287 -0.709 0.000 0.994 224 K CB -0.417 31.846 32.500 -0.395 0.000 0.906 224 K HN 0.352 nan 8.250 nan 0.000 0.488 225 P HA 0.019 nan 4.420 nan 0.000 0.276 225 P C -1.170 176.051 177.300 -0.131 0.000 1.261 225 P CA -0.517 62.345 63.100 -0.397 0.000 0.800 225 P CB 0.500 31.944 31.700 -0.428 0.000 1.066 226 Q N 1.217 121.006 119.800 -0.019 0.000 2.300 226 Q HA 0.021 4.360 4.340 -0.000 0.000 0.280 226 Q C 0.293 176.389 176.000 0.161 0.000 1.033 226 Q CA -0.270 55.588 55.803 0.091 0.000 0.903 226 Q CB 0.432 29.236 28.738 0.111 0.000 1.195 226 Q HN 0.283 nan 8.270 nan 0.000 0.386 227 K N 5.009 125.538 120.400 0.214 0.000 2.436 227 K HA 0.240 4.559 4.320 -0.000 0.000 0.275 227 K C -2.410 174.271 176.600 0.135 0.000 0.999 227 K CA -1.260 55.132 56.287 0.175 0.000 0.980 227 K CB 0.152 32.782 32.500 0.216 0.000 0.919 227 K HN 0.351 nan 8.250 nan 0.000 0.484 228 P HA -0.064 nan 4.420 nan 0.000 0.272 228 P C -0.126 177.366 177.300 0.319 0.000 1.223 228 P CA -0.537 62.601 63.100 0.064 0.000 0.784 228 P CB 0.476 32.011 31.700 -0.275 0.000 0.923 229 W N 2.770 124.151 121.300 0.135 0.000 2.274 229 W HA -0.023 4.636 4.660 -0.000 0.000 0.345 229 W C 0.670 177.388 176.519 0.333 0.000 1.265 229 W CA 0.140 57.540 57.345 0.090 0.000 1.293 229 W CB 0.405 29.876 29.460 0.018 0.000 1.175 229 W HN 0.566 nan 8.180 nan 0.000 0.577 230 E N 3.812 123.713 120.200 -0.499 0.000 2.565 230 E HA -0.187 4.163 4.350 -0.000 0.000 0.268 230 E C -0.158 176.259 176.600 -0.304 0.000 1.000 230 E CA 0.486 56.449 56.400 -0.728 0.000 0.964 230 E CB 0.495 29.629 29.700 -0.943 0.000 0.955 230 E HN 0.331 nan 8.360 nan 0.000 0.459 231 K N 3.237 123.297 120.400 -0.566 0.000 2.298 231 K HA -0.028 4.292 4.320 -0.000 0.000 0.280 231 K C -0.704 175.801 176.600 -0.159 0.000 1.032 231 K CA 0.061 56.174 56.287 -0.291 0.000 0.958 231 K CB 0.497 32.623 32.500 -0.623 0.000 0.978 231 K HN 0.612 nan 8.250 nan 0.000 0.472 232 D N 1.740 122.155 120.400 0.024 0.000 2.800 232 D HA -0.190 4.450 4.640 -0.000 0.000 0.232 232 D C -0.747 175.632 176.300 0.131 0.000 1.137 232 D CA 1.286 55.329 54.000 0.071 0.000 0.718 232 D CB -1.135 39.662 40.800 -0.005 0.000 1.084 232 D HN 0.608 nan 8.370 nan 0.000 0.432 233 A N -0.414 122.555 122.820 0.248 0.000 2.795 233 A HA 0.218 4.538 4.320 -0.000 0.000 0.282 233 A C 1.184 179.078 177.584 0.517 0.000 0.964 233 A CA -0.363 51.872 52.037 0.331 0.000 1.045 233 A CB -0.305 18.832 19.000 0.229 0.000 1.174 233 A HN 0.449 nan 8.150 nan 0.000 0.493 234 W N 0.977 122.405 121.300 0.213 0.000 2.378 234 W HA 0.005 4.664 4.660 -0.000 0.000 0.313 234 W C -0.257 176.320 176.519 0.097 0.000 1.197 234 W CA 1.272 58.688 57.345 0.118 0.000 1.304 234 W CB 0.188 29.693 29.460 0.076 0.000 1.148 234 W HN 0.430 nan 8.180 nan 0.000 0.494 235 E N 1.309 121.442 120.200 -0.111 0.000 2.174 235 E HA 0.292 4.642 4.350 -0.000 0.000 0.282 235 E C -0.257 176.333 176.600 -0.017 0.000 0.992 235 E CA -0.353 55.922 56.400 -0.208 0.000 0.803 235 E CB 1.659 31.284 29.700 -0.126 0.000 1.090 235 E HN 0.152 nan 8.360 nan 0.000 0.396 236 I N -0.457 120.105 120.570 -0.015 0.000 2.892 236 I HA 0.630 4.800 4.170 -0.000 0.000 0.306 236 I C -2.586 173.562 176.117 0.052 0.000 1.078 236 I CA -3.047 58.316 61.300 0.104 0.000 1.032 236 I CB 1.927 40.076 38.000 0.249 0.000 1.229 236 I HN 0.240 nan 8.210 nan 0.000 0.435 237 P HA 0.195 nan 4.420 nan 0.000 0.275 237 P C 0.005 177.312 177.300 0.011 0.000 1.228 237 P CA -0.279 62.829 63.100 0.013 0.000 0.786 237 P CB 1.429 33.137 31.700 0.012 0.000 0.927 238 R N 1.398 121.857 120.500 -0.067 0.000 2.105 238 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 238 R C 1.560 177.842 176.300 -0.029 0.000 1.135 238 R CA 1.714 57.753 56.100 -0.102 0.000 0.967 238 R CB -0.190 29.961 30.300 -0.249 0.000 0.861 238 R HN 0.445 nan 8.270 nan 0.000 0.442 239 E N -0.027 120.151 120.200 -0.036 0.000 2.233 239 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 239 E C 1.771 178.361 176.600 -0.018 0.000 1.004 239 E CA 1.721 58.104 56.400 -0.029 0.000 0.819 239 E CB -0.138 29.542 29.700 -0.034 0.000 0.738 239 E HN 0.428 nan 8.360 nan 0.000 0.478 240 S N -0.500 115.211 115.700 0.019 0.000 2.507 240 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 240 S C 0.654 175.277 174.600 0.038 0.000 0.988 240 S CA 0.239 58.441 58.200 0.003 0.000 0.944 240 S CB -0.109 63.180 63.200 0.148 0.000 0.762 240 S HN 0.081 nan 8.310 nan 0.000 0.526 241 L N 1.183 122.457 121.223 0.085 0.000 2.329 241 L HA 0.530 4.869 4.340 -0.000 0.000 0.279 241 L C -0.274 176.620 176.870 0.041 0.000 1.014 241 L CA -0.651 54.260 54.840 0.118 0.000 0.814 241 L CB 1.909 44.083 42.059 0.191 0.000 1.257 241 L HN -0.027 nan 8.230 nan 0.000 0.424 242 K N 4.720 125.136 120.400 0.028 0.000 2.339 242 K HA 0.493 4.813 4.320 -0.000 0.000 0.264 242 K C -1.110 175.495 176.600 0.009 0.000 0.986 242 K CA -0.500 55.785 56.287 -0.002 0.000 0.866 242 K CB 1.565 34.057 32.500 -0.013 0.000 1.103 242 K HN 0.462 nan 8.250 nan 0.000 0.441 243 L N 3.861 125.047 121.223 -0.061 0.000 2.268 243 L HA 0.215 4.555 4.340 -0.000 0.000 0.289 243 L C 0.827 177.750 176.870 0.089 0.000 1.064 243 L CA -0.064 54.728 54.840 -0.080 0.000 0.824 243 L CB 0.523 42.261 42.059 -0.535 0.000 1.202 243 L HN 0.722 nan 8.230 nan 0.000 0.433 244 E N 1.757 122.103 120.200 0.242 0.000 2.201 244 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 244 E C 0.158 176.937 176.600 0.298 0.000 0.957 244 E CA 0.473 57.003 56.400 0.216 0.000 0.858 244 E CB 0.668 30.429 29.700 0.102 0.000 0.816 244 E HN 0.322 nan 8.360 nan 0.000 0.475 245 K N 1.131 121.741 120.400 0.351 0.000 2.565 245 K HA 0.166 4.486 4.320 -0.000 0.000 0.249 245 K C -1.461 175.064 176.600 -0.123 0.000 0.958 245 K CA -0.575 55.792 56.287 0.133 0.000 0.806 245 K CB 1.418 33.954 32.500 0.060 0.000 1.194 245 K HN -0.261 nan 8.250 nan 0.000 0.434 246 K N 5.620 125.602 120.400 -0.695 0.000 2.378 246 K HA 0.131 4.451 4.320 -0.000 0.000 0.288 246 K C 0.144 176.424 176.600 -0.534 0.000 1.057 246 K CA -0.002 55.542 56.287 -1.238 0.000 0.971 246 K CB 0.392 32.070 32.500 -1.369 0.000 0.975 246 K HN 0.714 nan 8.250 nan 0.000 0.475 247 L N 2.647 123.631 121.223 -0.398 0.000 2.354 247 L HA 0.219 4.559 4.340 -0.000 0.000 0.212 247 L C 1.134 177.900 176.870 -0.173 0.000 1.091 247 L CA 0.186 54.918 54.840 -0.179 0.000 0.828 247 L CB 0.280 42.305 42.059 -0.057 0.000 0.973 247 L HN 0.801 nan 8.230 nan 0.000 0.461 248 G N -0.766 107.899 108.800 -0.224 0.000 2.523 248 G HA2 0.669 4.629 3.960 -0.000 0.000 0.291 248 G HA3 0.669 4.629 3.960 -0.000 0.000 0.291 248 G C -2.177 172.637 174.900 -0.143 0.000 1.450 248 G CA 0.122 45.134 45.100 -0.146 0.000 0.790 248 G HN 0.067 nan 8.290 nan 0.000 0.496 249 A N -1.043 121.728 122.820 -0.081 0.000 2.566 249 A HA 1.045 5.365 4.320 -0.000 0.000 0.297 249 A C 0.024 177.596 177.584 -0.020 0.000 1.059 249 A CA 0.464 52.474 52.037 -0.045 0.000 0.691 249 A CB 1.548 20.514 19.000 -0.057 0.000 1.282 249 A HN 2.425 nan 8.150 nan 0.000 0.401 250 G N -0.723 108.076 108.800 -0.002 0.000 2.664 250 G HA2 0.430 4.390 3.960 -0.000 0.000 0.303 250 G HA3 0.430 4.390 3.960 -0.000 0.000 0.303 250 G C 0.394 175.254 174.900 -0.067 0.000 1.243 250 G CA 0.458 45.549 45.100 -0.015 0.000 0.826 250 G HN 0.758 nan 8.290 nan 0.000 0.498 251 Q N -1.219 118.477 119.800 -0.173 0.000 2.135 251 Q HA -0.019 4.321 4.340 -0.000 0.000 0.204 251 Q C 1.358 177.024 176.000 -0.557 0.000 0.981 251 Q CA 1.794 57.309 55.803 -0.480 0.000 0.856 251 Q CB -0.150 28.070 28.738 -0.862 0.000 0.902 251 Q HN 0.467 nan 8.270 nan 0.000 0.425 252 F N -1.199 118.760 119.950 0.016 0.000 2.653 252 F HA 0.408 4.935 4.527 -0.000 0.000 0.304 252 F C 0.898 176.707 175.800 0.015 0.000 1.092 252 F CA 0.226 58.236 58.000 0.017 0.000 1.279 252 F CB 1.363 40.379 39.000 0.027 0.000 1.044 252 F HN 0.157 nan 8.300 nan 0.000 0.564 253 G N 0.200 109.076 108.800 0.127 0.000 2.302 253 G HA2 0.161 4.121 3.960 -0.000 0.000 0.264 253 G HA3 0.161 4.121 3.960 -0.000 0.000 0.264 253 G C -1.525 173.433 174.900 0.097 0.000 1.335 253 G CA -1.048 44.116 45.100 0.105 0.000 0.982 253 G HN 0.056 nan 8.290 nan 0.000 0.473 254 E N -1.540 118.730 120.200 0.118 0.000 2.369 254 E HA 0.637 4.986 4.350 -0.000 0.000 0.270 254 E C -1.103 175.569 176.600 0.120 0.000 0.909 254 E CA -0.968 55.499 56.400 0.111 0.000 0.775 254 E CB 3.034 32.883 29.700 0.249 0.000 1.270 254 E HN 0.430 nan 8.360 nan 0.000 0.445 255 V N 1.316 121.238 119.914 0.014 0.000 2.495 255 V HA 0.448 4.568 4.120 -0.000 0.000 0.298 255 V C -1.231 174.837 176.094 -0.043 0.000 1.031 255 V CA -0.789 61.544 62.300 0.055 0.000 0.871 255 V CB 0.790 32.626 31.823 0.022 0.000 0.988 255 V HN 0.596 nan 8.190 nan 0.000 0.432 256 W N 3.509 124.809 121.300 0.000 0.000 2.844 256 W HA 0.634 5.294 4.660 -0.000 0.000 0.340 256 W C -0.019 176.566 176.519 0.110 0.000 1.093 256 W CA -0.816 56.547 57.345 0.029 0.000 1.212 256 W CB 1.822 31.265 29.460 -0.028 0.000 1.422 256 W HN 0.325 nan 8.180 nan 0.000 0.515 257 M N 3.421 123.231 119.600 0.350 0.000 2.188 257 M HA 0.579 5.059 4.480 -0.000 0.000 0.354 257 M C -0.582 175.844 176.300 0.211 0.000 1.342 257 M CA 0.412 55.874 55.300 0.270 0.000 1.117 257 M CB 0.017 32.677 32.600 0.099 0.000 1.670 257 M HN 0.628 nan 8.290 nan 0.000 0.466 258 A N 4.176 127.090 122.820 0.157 0.000 2.483 258 A HA 0.893 5.213 4.320 -0.000 0.000 0.286 258 A C -0.873 176.764 177.584 0.089 0.000 1.207 258 A CA -0.554 51.561 52.037 0.131 0.000 0.764 258 A CB 1.540 20.634 19.000 0.157 0.000 1.341 258 A HN 0.701 nan 8.150 nan 0.000 0.428 259 T N 0.476 115.084 114.554 0.090 0.000 2.881 259 T HA 0.499 4.849 4.350 -0.000 0.000 0.290 259 T C -1.747 173.025 174.700 0.119 0.000 1.000 259 T CA 0.002 62.146 62.100 0.073 0.000 0.978 259 T CB 0.871 69.734 68.868 -0.008 0.000 0.997 259 T HN 0.530 nan 8.240 nan 0.000 0.443 260 Y N 3.355 123.661 120.300 0.010 0.000 2.335 260 Y HA 0.316 4.865 4.550 -0.000 0.000 0.339 260 Y C 0.768 176.460 175.900 -0.348 0.000 0.987 260 Y CA -0.889 57.200 58.100 -0.019 0.000 1.140 260 Y CB 0.122 38.714 38.460 0.220 0.000 1.173 260 Y HN 0.912 nan 8.280 nan 0.000 0.486 261 N N 5.197 123.403 118.700 -0.823 0.000 2.701 261 N HA -0.372 4.368 4.740 -0.000 0.000 0.252 261 N C 0.198 175.231 175.510 -0.795 0.000 1.002 261 N CA 1.049 53.590 53.050 -0.847 0.000 0.758 261 N CB -0.424 37.433 38.487 -1.050 0.000 0.937 261 N HN 0.849 nan 8.380 nan 0.000 0.538 262 K N -3.426 116.689 120.400 -0.475 0.000 3.316 262 K HA -0.289 4.031 4.320 -0.000 0.000 0.330 262 K C 0.993 177.470 176.600 -0.205 0.000 0.731 262 K CA 2.058 58.179 56.287 -0.277 0.000 1.453 262 K CB -1.218 31.154 32.500 -0.212 0.000 1.256 262 K HN 0.770 nan 8.250 nan 0.000 0.470 263 H N -1.774 117.223 119.070 -0.121 0.000 2.582 263 H HA 0.349 4.905 4.556 -0.000 0.000 0.269 263 H C -0.191 175.114 175.328 -0.038 0.000 0.962 263 H CA 0.793 56.772 56.048 -0.115 0.000 1.230 263 H CB 0.460 30.097 29.762 -0.209 0.000 1.445 263 H HN 0.006 nan 8.280 nan 0.000 0.528 264 T N 1.274 115.943 114.554 0.193 0.000 2.847 264 T HA 0.207 4.557 4.350 -0.000 0.000 0.291 264 T C -0.599 174.235 174.700 0.222 0.000 0.998 264 T CA -0.994 61.285 62.100 0.299 0.000 0.967 264 T CB 2.271 71.436 68.868 0.495 0.000 0.954 264 T HN 0.244 nan 8.240 nan 0.000 0.441 265 K N 3.560 124.055 120.400 0.158 0.000 2.379 265 K HA 0.457 4.777 4.320 -0.000 0.000 0.284 265 K C -0.116 176.618 176.600 0.225 0.000 1.044 265 K CA -0.309 56.028 56.287 0.084 0.000 0.974 265 K CB 0.231 32.690 32.500 -0.068 0.000 0.962 265 K HN 0.537 nan 8.250 nan 0.000 0.474 266 V N 0.021 120.082 119.914 0.245 0.000 3.160 266 V HA 0.820 4.940 4.120 -0.000 0.000 0.310 266 V C -0.807 175.528 176.094 0.401 0.000 1.181 266 V CA -1.261 61.256 62.300 0.362 0.000 1.047 266 V CB 1.528 33.566 31.823 0.358 0.000 1.068 266 V HN 0.787 nan 8.190 nan 0.000 0.441 267 A N 1.066 124.133 122.820 0.411 0.000 2.312 267 A HA 0.868 5.188 4.320 -0.000 0.000 0.326 267 A C -0.588 177.117 177.584 0.201 0.000 1.172 267 A CA -0.667 51.579 52.037 0.348 0.000 0.821 267 A CB 1.362 20.498 19.000 0.227 0.000 1.166 267 A HN 1.348 nan 8.150 nan 0.000 0.493 268 V N 2.468 122.490 119.914 0.180 0.000 2.487 268 V HA 0.383 4.502 4.120 -0.000 0.000 0.298 268 V C 0.006 176.131 176.094 0.051 0.000 1.028 268 V CA -0.660 61.685 62.300 0.076 0.000 0.860 268 V CB 1.594 33.414 31.823 -0.005 0.000 0.991 268 V HN 0.929 nan 8.190 nan 0.000 0.427 269 K N 3.301 123.709 120.400 0.014 0.000 2.240 269 K HA 0.556 4.876 4.320 -0.000 0.000 0.271 269 K C -0.023 176.541 176.600 -0.060 0.000 1.018 269 K CA -0.297 56.004 56.287 0.023 0.000 0.874 269 K CB 1.136 33.672 32.500 0.060 0.000 1.098 269 K HN 0.852 nan 8.250 nan 0.000 0.458 270 T N 2.462 116.963 114.554 -0.088 0.000 2.767 270 T HA 0.413 4.763 4.350 -0.000 0.000 0.284 270 T C 0.068 174.780 174.700 0.020 0.000 0.973 270 T CA -1.044 60.965 62.100 -0.153 0.000 0.996 270 T CB 0.780 69.447 68.868 -0.335 0.000 0.927 270 T HN 0.345 nan 8.240 nan 0.000 0.456 271 M N 3.813 123.429 119.600 0.027 0.000 2.113 271 M HA 0.348 4.827 4.480 -0.000 0.000 0.352 271 M C 0.255 176.557 176.300 0.002 0.000 1.170 271 M CA -0.806 54.484 55.300 -0.017 0.000 1.053 271 M CB 1.190 33.657 32.600 -0.222 0.000 1.601 271 M HN 0.555 nan 8.290 nan 0.000 0.459 272 K N 3.549 123.975 120.400 0.043 0.000 2.472 272 K HA 0.159 4.479 4.320 -0.000 0.000 0.280 272 K C -2.290 174.315 176.600 0.008 0.000 1.028 272 K CA -1.295 55.011 56.287 0.033 0.000 1.045 272 K CB -0.327 32.194 32.500 0.035 0.000 0.902 272 K HN 0.344 nan 8.250 nan 0.000 0.478 273 P HA -0.055 nan 4.420 nan 0.000 0.258 273 P C 0.078 177.382 177.300 0.008 0.000 1.187 273 P CA 0.393 63.481 63.100 -0.020 0.000 0.767 273 P CB 0.572 32.263 31.700 -0.016 0.000 0.770 274 G N 1.135 109.945 108.800 0.018 0.000 3.257 274 G HA2 0.283 4.243 3.960 -0.000 0.000 0.205 274 G HA3 0.283 4.243 3.960 -0.000 0.000 0.205 274 G C 0.887 175.816 174.900 0.050 0.000 1.234 274 G CA -0.339 44.794 45.100 0.054 0.000 0.918 274 G HN 0.256 nan 8.290 nan 0.000 0.602 275 S N 0.179 115.920 115.700 0.069 0.000 2.368 275 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 275 S C 1.286 175.920 174.600 0.057 0.000 1.029 275 S CA 1.475 59.711 58.200 0.058 0.000 0.988 275 S CB -0.533 62.706 63.200 0.066 0.000 0.838 275 S HN 0.536 nan 8.310 nan 0.000 0.462 276 M N 1.537 121.181 119.600 0.074 0.000 2.252 276 M HA 0.300 4.780 4.480 -0.000 0.000 0.329 276 M C 0.334 176.678 176.300 0.074 0.000 1.101 276 M CA -0.304 55.050 55.300 0.090 0.000 1.117 276 M CB -0.326 32.367 32.600 0.155 0.000 1.563 276 M HN -0.083 nan 8.290 nan 0.000 0.445 277 S N 1.315 117.062 115.700 0.079 0.000 2.624 277 S HA 0.418 4.888 4.470 -0.000 0.000 0.263 277 S C 1.050 175.703 174.600 0.088 0.000 1.287 277 S CA -0.832 57.407 58.200 0.065 0.000 0.990 277 S CB 0.707 63.941 63.200 0.057 0.000 0.950 277 S HN 0.565 nan 8.310 nan 0.000 0.561 278 V N 2.872 122.820 119.914 0.057 0.000 2.255 278 V HA -0.114 4.006 4.120 -0.000 0.000 0.243 278 V C 2.457 178.620 176.094 0.115 0.000 1.038 278 V CA 2.208 64.544 62.300 0.059 0.000 1.008 278 V CB -1.193 30.640 31.823 0.017 0.000 0.645 278 V HN 1.002 nan 8.190 nan 0.000 0.449 279 E N 1.790 122.041 120.200 0.085 0.000 2.118 279 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 279 E C 2.044 178.703 176.600 0.098 0.000 0.992 279 E CA 1.577 58.028 56.400 0.086 0.000 0.804 279 E CB -0.490 29.244 29.700 0.058 0.000 0.741 279 E HN 0.509 nan 8.360 nan 0.000 0.458 280 A N 0.417 123.297 122.820 0.101 0.000 2.014 280 A HA -0.029 4.290 4.320 -0.000 0.000 0.218 280 A C 1.857 179.505 177.584 0.107 0.000 1.163 280 A CA 0.812 52.900 52.037 0.085 0.000 0.652 280 A CB -0.624 18.420 19.000 0.074 0.000 0.808 280 A HN 0.418 nan 8.150 nan 0.000 0.449 281 F N -0.035 119.920 119.950 0.008 0.000 2.387 281 F HA 0.127 4.654 4.527 -0.000 0.000 0.294 281 F C 1.729 177.544 175.800 0.025 0.000 1.093 281 F CA 0.924 58.926 58.000 0.005 0.000 1.420 281 F CB 0.063 39.066 39.000 0.004 0.000 1.086 281 F HN 0.102 nan 8.300 nan 0.000 0.531 282 L N -0.319 121.051 121.223 0.246 0.000 2.179 282 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 282 L C 2.687 179.640 176.870 0.137 0.000 1.096 282 L CA 0.887 55.854 54.840 0.211 0.000 0.779 282 L CB -1.061 41.118 42.059 0.200 0.000 0.922 282 L HN 0.155 nan 8.230 nan 0.000 0.443 283 A N 0.115 122.979 122.820 0.073 0.000 2.019 283 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 283 A C 2.209 179.775 177.584 -0.030 0.000 1.164 283 A CA 1.834 53.889 52.037 0.031 0.000 0.644 283 A CB -0.314 18.699 19.000 0.021 0.000 0.805 283 A HN 0.401 nan 8.150 nan 0.000 0.449 284 E N 0.094 120.236 120.200 -0.097 0.000 2.076 284 E HA 0.062 4.411 4.350 -0.000 0.000 0.190 284 E C 2.010 178.497 176.600 -0.189 0.000 0.979 284 E CA 1.295 57.583 56.400 -0.186 0.000 0.807 284 E CB -0.398 29.119 29.700 -0.304 0.000 0.761 284 E HN 0.425 nan 8.360 nan 0.000 0.454 285 A N 0.784 123.527 122.820 -0.128 0.000 1.902 285 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 285 A C 2.004 179.635 177.584 0.077 0.000 1.181 285 A CA 1.791 53.852 52.037 0.040 0.000 0.623 285 A CB -0.846 18.294 19.000 0.233 0.000 0.818 285 A HN 0.280 nan 8.150 nan 0.000 0.443 286 N N -0.194 118.563 118.700 0.094 0.000 2.104 286 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 286 N C 1.599 176.973 175.510 -0.227 0.000 1.024 286 N CA 1.478 54.449 53.050 -0.132 0.000 0.853 286 N CB -0.622 37.864 38.487 -0.001 0.000 1.008 286 N HN 0.241 nan 8.380 nan 0.000 0.424 287 V N 0.666 120.493 119.914 -0.144 0.000 2.453 287 V HA -0.088 4.032 4.120 -0.000 0.000 0.247 287 V C 1.997 177.967 176.094 -0.206 0.000 1.048 287 V CA 1.049 63.262 62.300 -0.145 0.000 1.049 287 V CB -0.230 31.542 31.823 -0.085 0.000 0.672 287 V HN 0.211 nan 8.190 nan 0.000 0.457 288 M N 0.232 119.689 119.600 -0.239 0.000 2.159 288 M HA -0.142 4.337 4.480 -0.000 0.000 0.263 288 M C 2.179 178.373 176.300 -0.177 0.000 1.063 288 M CA 1.948 57.088 55.300 -0.268 0.000 1.110 288 M CB -1.318 31.107 32.600 -0.292 0.000 1.374 288 M HN 0.436 nan 8.290 nan 0.000 0.411 289 K N 0.559 120.820 120.400 -0.232 0.000 2.211 289 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 289 K C 1.508 177.979 176.600 -0.215 0.000 1.047 289 K CA 1.941 58.055 56.287 -0.288 0.000 0.935 289 K CB -0.470 31.602 32.500 -0.713 0.000 0.728 289 K HN 0.434 nan 8.250 nan 0.000 0.452 290 T N -0.879 113.562 114.554 -0.189 0.000 3.118 290 T HA 0.074 4.424 4.350 -0.000 0.000 0.260 290 T C 1.139 175.841 174.700 0.004 0.000 1.139 290 T CA 0.050 62.093 62.100 -0.095 0.000 1.085 290 T CB -0.160 68.657 68.868 -0.085 0.000 0.934 290 T HN 0.175 nan 8.240 nan 0.000 0.518 291 L N 2.071 123.309 121.223 0.026 0.000 2.783 291 L HA 0.367 4.706 4.340 -0.000 0.000 0.235 291 L C 0.017 177.011 176.870 0.207 0.000 1.260 291 L CA -0.554 54.413 54.840 0.211 0.000 1.184 291 L CB 0.016 42.176 42.059 0.167 0.000 1.472 291 L HN 0.199 nan 8.230 nan 0.000 0.426 292 Q N 1.087 120.934 119.800 0.078 0.000 2.288 292 Q HA 0.358 4.698 4.340 -0.000 0.000 0.254 292 Q C -0.530 175.353 176.000 -0.194 0.000 0.932 292 Q CA -0.045 55.735 55.803 -0.038 0.000 0.902 292 Q CB 1.717 30.430 28.738 -0.041 0.000 1.203 292 Q HN 0.306 nan 8.270 nan 0.000 0.415 293 H N 1.147 119.990 119.070 -0.380 0.000 3.046 293 H HA 0.060 4.616 4.556 -0.000 0.000 0.361 293 H C -0.561 174.582 175.328 -0.308 0.000 1.235 293 H CA -0.466 55.251 56.048 -0.552 0.000 1.146 293 H CB 1.955 31.057 29.762 -1.099 0.000 1.859 293 H HN 0.610 nan 8.280 nan 0.000 0.548 294 D N 1.487 121.501 120.400 -0.644 0.000 2.311 294 D HA -0.085 4.554 4.640 -0.000 0.000 0.212 294 D C 0.813 177.038 176.300 -0.126 0.000 0.972 294 D CA 1.031 54.833 54.000 -0.330 0.000 0.887 294 D CB 0.460 41.041 40.800 -0.364 0.000 0.915 294 D HN 0.283 nan 8.370 nan 0.000 0.497 295 K N -0.259 120.175 120.400 0.056 0.000 2.438 295 K HA 0.247 4.567 4.320 -0.000 0.000 0.205 295 K C 0.065 176.668 176.600 0.005 0.000 1.033 295 K CA -0.116 56.206 56.287 0.058 0.000 1.089 295 K CB 1.275 33.836 32.500 0.103 0.000 0.857 295 K HN 0.154 nan 8.250 nan 0.000 0.522 296 L N 1.078 122.298 121.223 -0.005 0.000 2.322 296 L HA 0.356 4.696 4.340 -0.000 0.000 0.281 296 L C 0.398 177.251 176.870 -0.028 0.000 1.014 296 L CA -1.091 53.741 54.840 -0.014 0.000 0.815 296 L CB 2.139 44.209 42.059 0.018 0.000 1.247 296 L HN -0.265 nan 8.230 nan 0.000 0.421 297 V N 3.839 123.737 119.914 -0.028 0.000 2.814 297 V HA -0.047 4.072 4.120 -0.000 0.000 0.307 297 V C 0.521 176.562 176.094 -0.089 0.000 1.089 297 V CA 0.207 62.471 62.300 -0.060 0.000 1.212 297 V CB 0.792 32.582 31.823 -0.055 0.000 0.912 297 V HN 0.609 nan 8.190 nan 0.000 0.497 298 K N 5.408 125.713 120.400 -0.158 0.000 2.349 298 K HA 0.222 4.542 4.320 -0.000 0.000 0.288 298 K C -0.666 175.713 176.600 -0.369 0.000 1.058 298 K CA -0.285 55.849 56.287 -0.255 0.000 0.953 298 K CB 0.688 32.993 32.500 -0.325 0.000 0.997 298 K HN 0.612 nan 8.250 nan 0.000 0.477 299 L N 6.206 127.299 121.223 -0.217 0.000 2.278 299 L HA 0.173 4.513 4.340 -0.000 0.000 0.287 299 L C 0.961 177.750 176.870 -0.134 0.000 1.072 299 L CA 0.435 55.194 54.840 -0.134 0.000 0.819 299 L CB 0.471 42.544 42.059 0.024 0.000 1.176 299 L HN 0.630 nan 8.230 nan 0.000 0.435 300 H N 4.113 123.044 119.070 -0.231 0.000 2.406 300 H HA 0.576 5.132 4.556 -0.000 0.000 0.304 300 H C 0.183 175.096 175.328 -0.693 0.000 1.042 300 H CA 0.714 56.352 56.048 -0.682 0.000 1.360 300 H CB 0.563 29.475 29.762 -1.416 0.000 1.448 300 H HN 0.625 nan 8.280 nan 0.000 0.553 301 A N -0.041 122.513 122.820 -0.443 0.000 2.586 301 A HA 0.551 4.871 4.320 -0.000 0.000 0.290 301 A C -1.581 175.627 177.584 -0.626 0.000 1.086 301 A CA -0.297 51.414 52.037 -0.543 0.000 0.665 301 A CB 1.459 20.205 19.000 -0.424 0.000 1.279 301 A HN 0.017 nan 8.150 nan 0.000 0.423 302 V N 0.234 119.681 119.914 -0.778 0.000 2.888 302 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 302 V C -1.260 174.643 176.094 -0.319 0.000 1.114 302 V CA -0.488 61.489 62.300 -0.537 0.000 0.940 302 V CB 2.152 33.550 31.823 -0.708 0.000 1.021 302 V HN 0.996 nan 8.190 nan 0.000 0.426 303 V N 5.556 125.379 119.914 -0.151 0.000 2.350 303 V HA 0.268 4.388 4.120 -0.000 0.000 0.276 303 V C 1.414 177.424 176.094 -0.139 0.000 1.028 303 V CA 0.567 62.781 62.300 -0.144 0.000 0.860 303 V CB 1.175 32.890 31.823 -0.180 0.000 0.990 303 V HN 1.096 nan 8.190 nan 0.000 0.453 304 T N 1.310 115.786 114.554 -0.130 0.000 3.043 304 T HA 0.001 4.351 4.350 -0.000 0.000 0.263 304 T C 0.833 175.484 174.700 -0.082 0.000 1.094 304 T CA 0.394 62.443 62.100 -0.085 0.000 1.127 304 T CB 0.102 68.934 68.868 -0.059 0.000 0.905 304 T HN 0.461 nan 8.240 nan 0.000 0.490 305 K N 1.931 122.264 120.400 -0.111 0.000 2.322 305 K HA 0.108 4.428 4.320 -0.000 0.000 0.283 305 K C -0.329 176.190 176.600 -0.135 0.000 1.042 305 K CA -0.265 55.956 56.287 -0.110 0.000 0.958 305 K CB 0.516 32.946 32.500 -0.116 0.000 0.984 305 K HN 0.335 nan 8.250 nan 0.000 0.473 306 E N 4.763 124.902 120.200 -0.102 0.000 2.480 306 E HA 0.003 4.353 4.350 -0.000 0.000 0.258 306 E C -2.071 174.466 176.600 -0.105 0.000 0.984 306 E CA -1.339 55.004 56.400 -0.095 0.000 0.930 306 E CB 0.466 30.127 29.700 -0.066 0.000 0.936 306 E HN 0.414 nan 8.360 nan 0.000 0.466 307 P HA 0.161 nan 4.420 nan 0.000 0.285 307 P C -0.341 176.933 177.300 -0.043 0.000 1.259 307 P CA -0.446 62.633 63.100 -0.036 0.000 0.794 307 P CB 0.596 32.340 31.700 0.074 0.000 0.940 308 I N 3.387 123.921 120.570 -0.061 0.000 2.668 308 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 308 I C 0.268 176.505 176.117 0.200 0.000 1.168 308 I CA 0.351 61.617 61.300 -0.057 0.000 1.424 308 I CB -0.930 36.909 38.000 -0.269 0.000 1.377 308 I HN 0.308 nan 8.210 nan 0.000 0.560 309 Y N 6.581 126.823 120.300 -0.097 0.000 2.342 309 Y HA 0.515 5.065 4.550 -0.000 0.000 0.334 309 Y C 0.398 176.266 175.900 -0.054 0.000 1.067 309 Y CA -1.401 56.663 58.100 -0.061 0.000 1.128 309 Y CB 1.382 39.807 38.460 -0.059 0.000 1.200 309 Y HN 0.328 nan 8.280 nan 0.000 0.464 310 I N 4.448 125.086 120.570 0.114 0.000 2.474 310 I HA 0.415 4.584 4.170 -0.000 0.000 0.294 310 I C -0.966 175.161 176.117 0.018 0.000 1.005 310 I CA -0.579 60.755 61.300 0.058 0.000 1.113 310 I CB 1.584 39.650 38.000 0.110 0.000 1.289 310 I HN 0.300 nan 8.210 nan 0.000 0.436 311 I N 5.075 125.615 120.570 -0.050 0.000 2.418 311 I HA 0.435 4.605 4.170 -0.000 0.000 0.287 311 I C 0.166 176.216 176.117 -0.112 0.000 1.008 311 I CA -0.091 61.172 61.300 -0.062 0.000 1.104 311 I CB 2.018 39.944 38.000 -0.122 0.000 1.264 311 I HN 0.611 nan 8.210 nan 0.000 0.438 312 T N 1.154 115.677 114.554 -0.050 0.000 2.926 312 T HA 0.584 4.934 4.350 -0.000 0.000 0.289 312 T C -0.286 174.412 174.700 -0.002 0.000 1.054 312 T CA -1.027 60.990 62.100 -0.138 0.000 1.015 312 T CB 1.431 70.240 68.868 -0.100 0.000 1.167 312 T HN 0.633 nan 8.240 nan 0.000 0.526 313 E N 0.582 120.694 120.200 -0.147 0.000 2.467 313 E HA 0.075 4.425 4.350 -0.000 0.000 0.264 313 E C -1.118 175.586 176.600 0.174 0.000 1.020 313 E CA -0.640 55.854 56.400 0.157 0.000 0.945 313 E CB 0.208 29.963 29.700 0.092 0.000 0.942 313 E HN 0.535 nan 8.360 nan 0.000 0.449 314 F N 3.061 123.084 119.950 0.122 0.000 2.410 314 F HA 0.218 4.745 4.527 -0.000 0.000 0.348 314 F C -0.143 175.689 175.800 0.053 0.000 1.106 314 F CA -0.763 57.289 58.000 0.086 0.000 1.163 314 F CB 0.908 39.972 39.000 0.107 0.000 1.129 314 F HN 0.373 nan 8.300 nan 0.000 0.516 315 M N 7.128 126.396 119.600 -0.553 0.000 2.055 315 M HA 0.270 4.749 4.480 -0.000 0.000 0.347 315 M C 1.019 177.053 176.300 -0.443 0.000 1.123 315 M CA -0.321 54.763 55.300 -0.360 0.000 1.035 315 M CB 0.739 33.170 32.600 -0.281 0.000 1.484 315 M HN 0.835 nan 8.290 nan 0.000 0.428 316 A N 3.548 126.315 122.820 -0.088 0.000 1.986 316 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 316 A C 1.805 179.395 177.584 0.011 0.000 1.171 316 A CA 1.819 53.913 52.037 0.095 0.000 0.640 316 A CB -0.169 18.917 19.000 0.144 0.000 0.811 316 A HN 0.714 nan 8.150 nan 0.000 0.451 317 K N -1.075 119.273 120.400 -0.087 0.000 2.410 317 K HA 0.368 4.688 4.320 -0.000 0.000 0.200 317 K C 1.073 177.625 176.600 -0.081 0.000 1.023 317 K CA 0.639 56.888 56.287 -0.063 0.000 1.149 317 K CB -0.045 32.351 32.500 -0.174 0.000 0.859 317 K HN 0.649 nan 8.250 nan 0.000 0.514 318 G N 0.540 109.240 108.800 -0.165 0.000 2.564 318 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.273 318 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.273 318 G C -0.130 174.696 174.900 -0.123 0.000 1.242 318 G CA 0.039 45.049 45.100 -0.150 0.000 0.951 318 G HN 0.469 nan 8.290 nan 0.000 0.564 319 S N -0.438 115.219 115.700 -0.070 0.000 2.601 319 S HA 0.492 4.961 4.470 -0.000 0.000 0.271 319 S C 1.437 176.023 174.600 -0.024 0.000 1.305 319 S CA 0.285 58.447 58.200 -0.063 0.000 1.022 319 S CB 1.696 64.868 63.200 -0.046 0.000 0.940 319 S HN 1.790 nan 8.310 nan 0.000 0.525 320 L N 2.014 123.200 121.223 -0.063 0.000 2.079 320 L HA 0.010 4.350 4.340 -0.000 0.000 0.210 320 L C 2.001 178.895 176.870 0.041 0.000 1.081 320 L CA 1.604 56.416 54.840 -0.047 0.000 0.752 320 L CB -1.139 40.842 42.059 -0.129 0.000 0.896 320 L HN 0.861 nan 8.230 nan 0.000 0.433 321 L N -0.399 120.838 121.223 0.023 0.000 1.976 321 L HA -0.199 4.140 4.340 -0.000 0.000 0.209 321 L C 2.132 179.036 176.870 0.056 0.000 1.071 321 L CA 2.046 56.914 54.840 0.047 0.000 0.746 321 L CB -1.112 40.971 42.059 0.040 0.000 0.890 321 L HN 0.293 nan 8.230 nan 0.000 0.432 322 D N -0.876 119.554 120.400 0.050 0.000 2.133 322 D HA -0.272 4.368 4.640 -0.000 0.000 0.195 322 D C 2.050 178.390 176.300 0.066 0.000 0.997 322 D CA 1.697 55.727 54.000 0.049 0.000 0.840 322 D CB -0.424 40.401 40.800 0.041 0.000 0.947 322 D HN 0.423 nan 8.370 nan 0.000 0.452 323 F N 1.245 121.174 119.950 -0.035 0.000 2.102 323 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 323 F C 2.138 177.945 175.800 0.011 0.000 1.105 323 F CA 1.095 59.076 58.000 -0.033 0.000 1.239 323 F CB -0.349 38.594 39.000 -0.094 0.000 0.991 323 F HN -0.113 nan 8.300 nan 0.000 0.474 324 L N 0.041 121.216 121.223 -0.080 0.000 2.083 324 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 324 L C 2.287 179.139 176.870 -0.031 0.000 1.083 324 L CA 1.625 56.422 54.840 -0.072 0.000 0.752 324 L CB -0.598 41.496 42.059 0.058 0.000 0.899 324 L HN 0.092 nan 8.230 nan 0.000 0.433 325 K N -0.277 120.108 120.400 -0.026 0.000 2.296 325 K HA -0.013 4.307 4.320 -0.000 0.000 0.200 325 K C 1.175 177.734 176.600 -0.068 0.000 1.048 325 K CA 0.387 56.665 56.287 -0.015 0.000 0.966 325 K CB 0.039 32.548 32.500 0.014 0.000 0.754 325 K HN 0.333 nan 8.250 nan 0.000 0.466 326 S N 0.639 116.265 115.700 -0.122 0.000 2.587 326 S HA -0.071 4.398 4.470 -0.000 0.000 0.260 326 S C 0.959 175.469 174.600 -0.151 0.000 1.353 326 S CA -0.243 57.883 58.200 -0.124 0.000 0.995 326 S CB 1.141 64.264 63.200 -0.128 0.000 0.912 326 S HN 0.205 nan 8.310 nan 0.000 0.568 327 D N 0.324 120.664 120.400 -0.100 0.000 2.104 327 D HA -0.223 4.416 4.640 -0.000 0.000 0.194 327 D C 1.858 178.095 176.300 -0.104 0.000 0.994 327 D CA 1.969 55.917 54.000 -0.087 0.000 0.830 327 D CB -0.300 40.473 40.800 -0.046 0.000 0.959 327 D HN 0.837 nan 8.370 nan 0.000 0.452 328 E N -0.861 119.276 120.200 -0.105 0.000 2.153 328 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 328 E C 2.078 178.533 176.600 -0.242 0.000 0.988 328 E CA 1.178 57.529 56.400 -0.081 0.000 0.811 328 E CB -0.422 29.307 29.700 0.049 0.000 0.746 328 E HN 0.406 nan 8.360 nan 0.000 0.466 329 G N 0.472 108.945 108.800 -0.545 0.000 2.402 329 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.216 329 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.216 329 G C 1.692 176.547 174.900 -0.075 0.000 1.162 329 G CA 1.006 45.703 45.100 -0.671 0.000 0.777 329 G HN 0.424 nan 8.290 nan 0.000 0.539 330 S N -0.056 115.580 115.700 -0.106 0.000 2.515 330 S HA 0.101 4.571 4.470 -0.000 0.000 0.231 330 S C 1.816 176.352 174.600 -0.106 0.000 0.987 330 S CA 0.933 59.011 58.200 -0.204 0.000 0.936 330 S CB 0.013 63.045 63.200 -0.280 0.000 0.766 330 S HN 0.407 nan 8.310 nan 0.000 0.528 331 K N 0.495 120.893 120.400 -0.003 0.000 2.393 331 K HA 0.163 4.483 4.320 -0.000 0.000 0.193 331 K C -0.018 176.651 176.600 0.115 0.000 1.026 331 K CA 0.054 56.363 56.287 0.037 0.000 1.064 331 K CB 0.159 32.676 32.500 0.029 0.000 0.833 331 K HN 0.356 nan 8.250 nan 0.000 0.521 332 Q N 2.173 122.098 119.800 0.208 0.000 2.281 332 Q HA 0.111 4.451 4.340 -0.000 0.000 0.267 332 Q C -2.271 173.850 176.000 0.201 0.000 1.053 332 Q CA -1.561 54.376 55.803 0.223 0.000 0.905 332 Q CB 0.203 29.142 28.738 0.333 0.000 1.195 332 Q HN 0.145 nan 8.270 nan 0.000 0.398 333 P HA 0.012 nan 4.420 nan 0.000 0.274 333 P C 0.849 178.172 177.300 0.038 0.000 1.246 333 P CA -0.531 62.615 63.100 0.077 0.000 0.795 333 P CB 0.954 32.667 31.700 0.022 0.000 1.006 334 L N 3.059 124.315 121.223 0.056 0.000 2.034 334 L HA -0.166 4.174 4.340 -0.000 0.000 0.217 334 L C -0.905 175.976 176.870 0.019 0.000 1.077 334 L CA 2.819 57.682 54.840 0.039 0.000 0.769 334 L CB -2.386 39.727 42.059 0.091 0.000 0.890 334 L HN 0.351 nan 8.230 nan 0.000 0.435 335 P HA -0.180 nan 4.420 nan 0.000 0.217 335 P C 1.458 178.686 177.300 -0.120 0.000 1.148 335 P CA 1.328 64.404 63.100 -0.039 0.000 0.828 335 P CB -0.070 31.465 31.700 -0.274 0.000 0.783 336 K N -0.278 119.999 120.400 -0.206 0.000 2.031 336 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 336 K C 2.096 178.299 176.600 -0.663 0.000 1.049 336 K CA 1.043 57.069 56.287 -0.436 0.000 0.939 336 K CB -1.099 31.180 32.500 -0.368 0.000 0.717 336 K HN 0.184 nan 8.250 nan 0.000 0.438 337 L N 0.418 121.449 121.223 -0.320 0.000 2.042 337 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 337 L C 2.429 179.242 176.870 -0.095 0.000 1.076 337 L CA 1.150 55.924 54.840 -0.110 0.000 0.749 337 L CB -0.455 41.551 42.059 -0.088 0.000 0.893 337 L HN 0.092 nan 8.230 nan 0.000 0.432 338 I N 0.020 120.514 120.570 -0.127 0.000 2.286 338 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 338 I C 2.207 178.277 176.117 -0.079 0.000 1.115 338 I CA 1.540 62.765 61.300 -0.125 0.000 1.392 338 I CB -0.281 37.632 38.000 -0.146 0.000 1.065 338 I HN 0.307 nan 8.210 nan 0.000 0.418 339 D N 0.592 120.909 120.400 -0.138 0.000 2.117 339 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 339 D C 2.055 178.345 176.300 -0.016 0.000 0.987 339 D CA 1.493 55.424 54.000 -0.115 0.000 0.829 339 D CB 0.009 40.688 40.800 -0.203 0.000 0.961 339 D HN 0.127 nan 8.370 nan 0.000 0.460 340 F N 0.939 120.888 119.950 -0.002 0.000 2.091 340 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 340 F C 2.867 178.674 175.800 0.012 0.000 1.103 340 F CA 1.003 58.999 58.000 -0.006 0.000 1.228 340 F CB -1.209 37.784 39.000 -0.012 0.000 0.984 340 F HN -0.057 nan 8.300 nan 0.000 0.477 341 S N 0.016 115.839 115.700 0.205 0.000 2.374 341 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 341 S C 2.358 177.117 174.600 0.265 0.000 1.037 341 S CA 1.197 59.505 58.200 0.180 0.000 1.024 341 S CB -0.808 62.436 63.200 0.073 0.000 0.861 341 S HN 0.387 nan 8.310 nan 0.000 0.456 342 A N 1.260 124.168 122.820 0.147 0.000 1.933 342 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 342 A C 2.114 179.752 177.584 0.090 0.000 1.175 342 A CA 1.311 53.408 52.037 0.100 0.000 0.628 342 A CB -0.523 18.507 19.000 0.050 0.000 0.814 342 A HN 0.587 nan 8.150 nan 0.000 0.444 343 Q N -0.480 119.383 119.800 0.105 0.000 2.079 343 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 343 Q C 2.036 178.076 176.000 0.068 0.000 0.974 343 Q CA 1.449 57.300 55.803 0.081 0.000 0.840 343 Q CB -0.346 28.448 28.738 0.092 0.000 0.898 343 Q HN 0.731 nan 8.270 nan 0.000 0.430 344 I N 1.092 121.730 120.570 0.113 0.000 2.179 344 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 344 I C 2.490 178.636 176.117 0.049 0.000 1.088 344 I CA 1.049 62.415 61.300 0.109 0.000 1.357 344 I CB -0.470 37.656 38.000 0.211 0.000 1.051 344 I HN 0.150 nan 8.210 nan 0.000 0.409 345 A N 0.229 123.104 122.820 0.091 0.000 1.978 345 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 345 A C 2.323 179.808 177.584 -0.166 0.000 1.170 345 A CA 2.035 53.961 52.037 -0.186 0.000 0.636 345 A CB -0.667 18.232 19.000 -0.169 0.000 0.810 345 A HN 0.547 nan 8.150 nan 0.000 0.448 346 E N -0.518 119.642 120.200 -0.067 0.000 2.051 346 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 346 E C 2.088 178.611 176.600 -0.130 0.000 0.991 346 E CA 1.105 57.479 56.400 -0.043 0.000 0.799 346 E CB -0.461 29.262 29.700 0.039 0.000 0.748 346 E HN 0.490 nan 8.360 nan 0.000 0.449 347 G N 0.865 109.571 108.800 -0.156 0.000 2.418 347 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.217 347 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.217 347 G C 1.516 176.214 174.900 -0.335 0.000 1.158 347 G CA 0.868 45.808 45.100 -0.267 0.000 0.771 347 G HN 0.177 nan 8.290 nan 0.000 0.545 348 M N 1.182 120.509 119.600 -0.455 0.000 2.175 348 M HA 0.114 4.594 4.480 -0.000 0.000 0.264 348 M C 3.007 178.970 176.300 -0.562 0.000 1.063 348 M CA 1.000 55.829 55.300 -0.784 0.000 1.119 348 M CB -1.266 30.318 32.600 -1.694 0.000 1.377 348 M HN 0.314 nan 8.290 nan 0.000 0.415 349 A N 0.062 122.705 122.820 -0.296 0.000 1.917 349 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 349 A C 2.130 179.671 177.584 -0.073 0.000 1.182 349 A CA 1.704 53.699 52.037 -0.069 0.000 0.633 349 A CB -1.101 17.894 19.000 -0.008 0.000 0.819 349 A HN 0.462 nan 8.150 nan 0.000 0.448 350 F N 0.633 120.398 119.950 -0.308 0.000 2.084 350 F HA -0.133 4.394 4.527 -0.000 0.000 0.296 350 F C 1.979 177.649 175.800 -0.216 0.000 1.111 350 F CA 1.653 59.462 58.000 -0.319 0.000 1.224 350 F CB -0.382 38.196 39.000 -0.704 0.000 0.991 350 F HN 0.183 nan 8.300 nan 0.000 0.471 351 I N 0.737 121.056 120.570 -0.420 0.000 2.113 351 I HA -0.400 3.769 4.170 -0.000 0.000 0.242 351 I C 2.575 178.593 176.117 -0.166 0.000 1.064 351 I CA 2.210 63.276 61.300 -0.390 0.000 1.320 351 I CB -0.840 36.884 38.000 -0.460 0.000 1.028 351 I HN 0.355 nan 8.210 nan 0.000 0.406 352 E N 0.651 120.787 120.200 -0.106 0.000 2.070 352 E HA -0.326 4.023 4.350 -0.000 0.000 0.197 352 E C 2.267 178.856 176.600 -0.019 0.000 1.004 352 E CA 1.680 58.093 56.400 0.022 0.000 0.805 352 E CB -0.142 29.638 29.700 0.133 0.000 0.744 352 E HN 0.465 nan 8.360 nan 0.000 0.451 353 Q N -0.358 119.395 119.800 -0.078 0.000 2.230 353 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 353 Q C 1.700 177.643 176.000 -0.095 0.000 0.963 353 Q CA 0.610 56.373 55.803 -0.067 0.000 0.866 353 Q CB 0.226 28.936 28.738 -0.047 0.000 0.931 353 Q HN 0.147 nan 8.270 nan 0.000 0.452 354 R N 0.720 121.116 120.500 -0.173 0.000 2.313 354 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 354 R C 0.125 176.438 176.300 0.022 0.000 0.958 354 R CA 0.081 56.141 56.100 -0.066 0.000 1.047 354 R CB -0.195 30.026 30.300 -0.133 0.000 0.955 354 R HN 0.318 nan 8.270 nan 0.000 0.481 355 N N -0.540 118.146 118.700 -0.024 0.000 2.818 355 N HA -0.214 4.526 4.740 -0.000 0.000 0.250 355 N C -0.677 174.735 175.510 -0.164 0.000 1.108 355 N CA 0.903 53.903 53.050 -0.084 0.000 0.745 355 N CB -1.527 36.883 38.487 -0.127 0.000 1.104 355 N HN 0.268 nan 8.380 nan 0.000 0.557 356 Y N 0.161 120.467 120.300 0.010 0.000 2.518 356 Y HA 0.727 5.277 4.550 -0.000 0.000 0.332 356 Y C 1.071 177.052 175.900 0.134 0.000 1.276 356 Y CA -0.368 57.795 58.100 0.105 0.000 1.418 356 Y CB 0.981 39.609 38.460 0.280 0.000 1.527 356 Y HN -0.038 nan 8.280 nan 0.000 0.549 357 I N -0.390 120.435 120.570 0.425 0.000 2.644 357 I HA 0.096 4.266 4.170 -0.000 0.000 0.291 357 I C 0.336 176.700 176.117 0.412 0.000 1.180 357 I CA -0.488 61.007 61.300 0.323 0.000 1.040 357 I CB 1.927 40.065 38.000 0.231 0.000 1.255 357 I HN 0.719 nan 8.210 nan 0.000 0.422 358 H N 5.698 124.920 119.070 0.254 0.000 2.294 358 H HA 0.140 4.696 4.556 -0.000 0.000 0.306 358 H C 1.244 176.673 175.328 0.168 0.000 1.065 358 H CA 2.163 58.365 56.048 0.257 0.000 1.343 358 H CB 0.539 30.365 29.762 0.107 0.000 1.396 358 H HN 0.627 nan 8.280 nan 0.000 0.506 359 R N -0.958 119.733 120.500 0.318 0.000 3.218 359 R HA -0.159 4.181 4.340 -0.000 0.000 0.397 359 R C -0.492 175.947 176.300 0.230 0.000 0.440 359 R CA 1.340 57.541 56.100 0.168 0.000 1.454 359 R CB -1.466 28.745 30.300 -0.150 0.000 1.907 359 R HN 0.381 nan 8.270 nan 0.000 0.306 360 D N 1.014 121.654 120.400 0.399 0.000 2.861 360 D HA 0.265 4.905 4.640 -0.000 0.000 0.357 360 D C -0.721 175.699 176.300 0.200 0.000 1.250 360 D CA -0.143 54.017 54.000 0.267 0.000 0.802 360 D CB 0.240 41.118 40.800 0.130 0.000 1.141 360 D HN 0.104 nan 8.370 nan 0.000 0.489 361 L N 2.672 123.979 121.223 0.141 0.000 2.360 361 L HA 0.461 4.801 4.340 -0.000 0.000 0.276 361 L C 0.313 177.162 176.870 -0.036 0.000 1.121 361 L CA 0.245 55.060 54.840 -0.042 0.000 0.845 361 L CB 0.220 42.341 42.059 0.103 0.000 1.143 361 L HN 0.392 nan 8.230 nan 0.000 0.452 362 R N 2.528 122.932 120.500 -0.160 0.000 2.829 362 R HA 0.347 4.687 4.340 -0.000 0.000 0.284 362 R C -0.409 175.793 176.300 -0.163 0.000 1.006 362 R CA -0.263 55.681 56.100 -0.261 0.000 0.844 362 R CB 0.651 30.332 30.300 -1.031 0.000 1.309 362 R HN 0.355 nan 8.270 nan 0.000 0.494 363 A N 0.707 123.486 122.820 -0.068 0.000 1.968 363 A HA 0.088 4.407 4.320 -0.000 0.000 0.217 363 A C 2.180 179.721 177.584 -0.072 0.000 1.169 363 A CA 1.693 53.709 52.037 -0.035 0.000 0.638 363 A CB -0.779 18.246 19.000 0.042 0.000 0.812 363 A HN 0.843 nan 8.150 nan 0.000 0.446 364 A N 0.290 123.042 122.820 -0.112 0.000 2.032 364 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 364 A C 1.496 179.020 177.584 -0.098 0.000 1.165 364 A CA 1.735 53.708 52.037 -0.107 0.000 0.645 364 A CB -0.428 18.482 19.000 -0.149 0.000 0.807 364 A HN 0.502 nan 8.150 nan 0.000 0.453 365 N N -0.294 118.336 118.700 -0.117 0.000 2.251 365 N HA 0.206 4.946 4.740 -0.000 0.000 0.217 365 N C -0.559 174.899 175.510 -0.086 0.000 1.124 365 N CA 0.145 53.149 53.050 -0.077 0.000 0.843 365 N CB 0.511 38.971 38.487 -0.045 0.000 1.024 365 N HN 0.295 nan 8.380 nan 0.000 0.501 366 I N 1.309 121.821 120.570 -0.097 0.000 2.441 366 I HA 0.387 4.557 4.170 -0.000 0.000 0.295 366 I C 0.123 176.171 176.117 -0.115 0.000 0.994 366 I CA -0.574 60.663 61.300 -0.105 0.000 1.144 366 I CB 1.765 39.699 38.000 -0.110 0.000 1.314 366 I HN -0.239 nan 8.210 nan 0.000 0.445 367 L N 5.481 126.628 121.223 -0.128 0.000 2.334 367 L HA 0.643 4.983 4.340 -0.000 0.000 0.276 367 L C -0.588 176.164 176.870 -0.196 0.000 1.014 367 L CA -1.009 53.739 54.840 -0.154 0.000 0.815 367 L CB 2.390 44.363 42.059 -0.143 0.000 1.268 367 L HN 0.209 nan 8.230 nan 0.000 0.428 368 V N 1.057 120.826 119.914 -0.242 0.000 2.448 368 V HA 0.352 4.472 4.120 -0.000 0.000 0.295 368 V C 0.310 176.253 176.094 -0.252 0.000 1.025 368 V CA -0.602 61.504 62.300 -0.324 0.000 0.859 368 V CB 1.657 33.143 31.823 -0.563 0.000 0.988 368 V HN 0.928 nan 8.190 nan 0.000 0.431 369 S N 4.158 119.742 115.700 -0.195 0.000 2.655 369 S HA 0.547 5.017 4.470 -0.000 0.000 0.265 369 S C 1.401 175.933 174.600 -0.114 0.000 1.240 369 S CA 0.158 58.287 58.200 -0.119 0.000 0.986 369 S CB 1.526 64.684 63.200 -0.069 0.000 0.985 369 S HN 1.113 nan 8.310 nan 0.000 0.562 370 A N 0.894 123.690 122.820 -0.040 0.000 2.015 370 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 370 A C 2.074 179.650 177.584 -0.014 0.000 1.163 370 A CA 1.430 53.460 52.037 -0.013 0.000 0.646 370 A CB -1.133 17.890 19.000 0.038 0.000 0.806 370 A HN 0.783 nan 8.150 nan 0.000 0.448 371 S N -0.878 114.812 115.700 -0.018 0.000 2.593 371 S HA 0.312 4.782 4.470 -0.000 0.000 0.217 371 S C 0.514 175.107 174.600 -0.011 0.000 0.966 371 S CA 0.270 58.467 58.200 -0.005 0.000 0.914 371 S CB -0.407 62.792 63.200 -0.001 0.000 0.776 371 S HN 0.543 nan 8.310 nan 0.000 0.523 372 L N 0.117 121.299 121.223 -0.069 0.000 4.140 372 L HA -0.141 4.198 4.340 -0.000 0.000 0.406 372 L C -0.481 176.392 176.870 0.005 0.000 1.175 372 L CA -0.463 54.328 54.840 -0.082 0.000 0.939 372 L CB -2.025 40.075 42.059 0.069 0.000 2.105 372 L HN 0.095 nan 8.230 nan 0.000 0.803 373 V N 0.068 119.959 119.914 -0.038 0.000 2.488 373 V HA 0.139 4.259 4.120 -0.000 0.000 0.277 373 V C 0.891 176.943 176.094 -0.071 0.000 1.046 373 V CA -0.226 62.062 62.300 -0.019 0.000 0.986 373 V CB 1.359 33.166 31.823 -0.026 0.000 0.989 373 V HN 0.343 nan 8.190 nan 0.000 0.475 374 C N 6.050 125.328 119.300 -0.037 0.000 2.369 374 C HA 0.564 5.024 4.460 -0.000 0.000 0.358 374 C C 0.386 175.340 174.990 -0.060 0.000 1.274 374 C CA -0.940 58.027 59.018 -0.085 0.000 1.935 374 C CB -0.311 27.392 27.740 -0.061 0.000 2.431 374 C HN 0.858 nan 8.230 nan 0.000 0.545 375 K N 2.857 123.207 120.400 -0.083 0.000 2.427 375 K HA 0.552 4.872 4.320 -0.000 0.000 0.252 375 K C -1.027 175.531 176.600 -0.069 0.000 0.931 375 K CA -0.418 55.830 56.287 -0.065 0.000 0.793 375 K CB 1.889 34.350 32.500 -0.064 0.000 1.211 375 K HN 0.551 nan 8.250 nan 0.000 0.426 376 I N 2.509 123.042 120.570 -0.063 0.000 2.556 376 I HA 0.105 4.274 4.170 -0.000 0.000 0.284 376 I C 0.253 176.377 176.117 0.013 0.000 1.114 376 I CA 0.215 61.477 61.300 -0.064 0.000 1.418 376 I CB 0.899 38.830 38.000 -0.115 0.000 1.394 376 I HN 0.635 nan 8.210 nan 0.000 0.552 377 A N 3.911 126.757 122.820 0.043 0.000 2.356 377 A HA 0.576 4.896 4.320 -0.000 0.000 0.323 377 A C 0.136 177.849 177.584 0.215 0.000 1.119 377 A CA -0.392 51.694 52.037 0.082 0.000 0.790 377 A CB 0.935 19.941 19.000 0.010 0.000 1.273 377 A HN 0.806 nan 8.150 nan 0.000 0.452 378 D N -1.439 119.045 120.400 0.141 0.000 3.090 378 D HA -0.160 4.480 4.640 -0.000 0.000 0.215 378 D C -0.372 175.929 176.300 0.001 0.000 1.140 378 D CA 1.207 55.256 54.000 0.082 0.000 0.937 378 D CB -1.553 39.297 40.800 0.083 0.000 1.108 378 D HN 0.467 nan 8.370 nan 0.000 0.420 379 F N 0.815 120.719 119.950 -0.077 0.000 2.541 379 F HA 0.398 4.925 4.527 -0.000 0.000 0.378 379 F C 1.721 177.383 175.800 -0.229 0.000 1.068 379 F CA 1.372 59.230 58.000 -0.236 0.000 1.199 379 F CB 0.334 39.321 39.000 -0.022 0.000 1.091 379 F HN 0.197 nan 8.300 nan 0.000 0.555 380 G N 4.714 113.128 108.800 -0.645 0.000 2.349 380 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.213 380 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.213 380 G C 0.819 175.473 174.900 -0.410 0.000 1.044 380 G CA 0.245 44.986 45.100 -0.599 0.000 0.633 380 G HN 0.835 nan 8.290 nan 0.000 0.506 381 L N 1.819 122.851 121.223 -0.318 0.000 2.005 381 L HA 0.589 4.929 4.340 -0.000 0.000 0.207 381 L C 2.907 179.627 176.870 -0.249 0.000 1.072 381 L CA 3.069 57.761 54.840 -0.247 0.000 0.744 381 L CB -0.592 41.387 42.059 -0.133 0.000 0.895 381 L HN 0.833 nan 8.230 nan 0.000 0.433 382 A N -0.607 122.056 122.820 -0.261 0.000 2.248 382 A HA 0.026 4.346 4.320 -0.000 0.000 0.210 382 A C 2.306 179.737 177.584 -0.256 0.000 1.174 382 A CA 1.344 53.227 52.037 -0.257 0.000 0.750 382 A CB -0.962 17.904 19.000 -0.224 0.000 0.780 382 A HN 0.534 nan 8.150 nan 0.000 0.478 383 R N -1.436 118.911 120.500 -0.255 0.000 2.308 383 R HA 0.595 4.935 4.340 -0.000 0.000 0.202 383 R C 1.825 178.010 176.300 -0.192 0.000 0.898 383 R CA 1.269 57.240 56.100 -0.216 0.000 1.046 383 R CB -1.531 28.640 30.300 -0.215 0.000 1.026 383 R HN 0.750 nan 8.270 nan 0.000 0.512 384 V N 0.146 119.932 119.914 -0.212 0.000 2.490 384 V HA 0.587 4.707 4.120 -0.000 0.000 0.238 384 V C 1.817 177.849 176.094 -0.104 0.000 1.056 384 V CA 1.363 63.573 62.300 -0.150 0.000 1.075 384 V CB -0.674 31.027 31.823 -0.203 0.000 0.746 384 V HN 0.569 nan 8.190 nan 0.000 0.479 400 I N -1.149 119.583 120.570 0.269 0.000 2.676 400 I HA -0.027 4.143 4.170 -0.000 0.000 0.259 400 I C 1.568 177.813 176.117 0.213 0.000 1.194 400 I CA 1.060 62.476 61.300 0.193 0.000 1.473 400 I CB -0.095 37.951 38.000 0.077 0.000 1.096 400 I HN 0.068 nan 8.210 nan 0.000 0.443 401 K N 0.139 120.707 120.400 0.281 0.000 2.283 401 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 401 K C 1.271 177.969 176.600 0.165 0.000 1.048 401 K CA 1.252 57.618 56.287 0.131 0.000 0.948 401 K CB -0.158 32.281 32.500 -0.103 0.000 0.742 401 K HN 0.566 nan 8.250 nan 0.000 0.458 402 W N 1.284 122.745 121.300 0.268 0.000 3.220 402 W HA 0.108 4.767 4.660 -0.001 0.000 0.328 402 W C -0.086 176.642 176.519 0.349 0.000 1.205 402 W CA -0.248 57.293 57.345 0.327 0.000 1.773 402 W CB 0.368 29.981 29.460 0.255 0.000 1.086 402 W HN -0.158 nan 8.180 nan 0.000 0.622 403 T N 1.044 115.838 114.554 0.400 0.000 2.875 403 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 403 T C 0.372 174.871 174.700 -0.335 0.000 0.995 403 T CA -0.473 61.722 62.100 0.158 0.000 1.060 403 T CB 2.316 71.274 68.868 0.150 0.000 0.967 403 T HN -0.025 nan 8.240 nan 0.000 0.476 404 A N 3.917 126.404 122.820 -0.556 0.000 2.445 404 A HA 0.389 4.708 4.320 -0.000 0.000 0.242 404 A C -1.217 175.885 177.584 -0.802 0.000 1.075 404 A CA -1.201 50.145 52.037 -1.151 0.000 0.777 404 A CB -0.219 18.474 19.000 -0.511 0.000 1.013 404 A HN 0.549 nan 8.150 nan 0.000 0.493 405 P HA -0.183 nan 4.420 nan 0.000 0.216 405 P C 0.750 177.885 177.300 -0.276 0.000 1.150 405 P CA 1.758 64.581 63.100 -0.461 0.000 0.843 405 P CB 0.125 31.606 31.700 -0.365 0.000 0.787 406 E N -0.184 119.880 120.200 -0.226 0.000 2.110 406 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 406 E C 2.071 178.578 176.600 -0.154 0.000 0.988 406 E CA 1.476 57.841 56.400 -0.059 0.000 0.804 406 E CB -1.246 28.421 29.700 -0.056 0.000 0.745 406 E HN 0.205 nan 8.360 nan 0.000 0.458 407 A N 0.792 123.383 122.820 -0.381 0.000 1.874 407 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 407 A C 2.241 179.524 177.584 -0.501 0.000 1.189 407 A CA 0.858 52.455 52.037 -0.733 0.000 0.615 407 A CB -0.574 17.744 19.000 -1.138 0.000 0.830 407 A HN 0.163 nan 8.150 nan 0.000 0.443 408 I N 0.459 120.831 120.570 -0.330 0.000 2.099 408 I HA -0.306 3.864 4.170 -0.000 0.000 0.239 408 I C 2.117 178.091 176.117 -0.239 0.000 1.066 408 I CA 1.524 62.701 61.300 -0.206 0.000 1.324 408 I CB -0.524 37.363 38.000 -0.188 0.000 1.037 408 I HN 0.296 nan 8.210 nan 0.000 0.401 409 N N 0.172 118.684 118.700 -0.315 0.000 2.244 409 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 409 N C 1.288 176.268 175.510 -0.883 0.000 1.016 409 N CA 1.620 54.317 53.050 -0.588 0.000 0.866 409 N CB -0.055 38.044 38.487 -0.648 0.000 0.980 409 N HN 0.352 nan 8.380 nan 0.000 0.430 410 F N -1.970 117.911 119.950 -0.115 0.000 2.871 410 F HA 0.345 4.872 4.527 0.000 0.000 0.344 410 F C 1.423 177.184 175.800 -0.065 0.000 1.078 410 F CA 0.018 57.971 58.000 -0.077 0.000 1.149 410 F CB 0.381 39.337 39.000 -0.073 0.000 1.087 410 F HN -0.027 nan 8.300 nan 0.000 0.557 411 G N 0.777 109.575 108.800 -0.004 0.000 2.143 411 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 411 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 411 G C 0.151 175.052 174.900 0.001 0.000 0.991 411 G CA 0.393 45.507 45.100 0.023 0.000 0.689 411 G HN 0.227 nan 8.290 nan 0.000 0.522 412 S N 0.822 116.462 115.700 -0.098 0.000 3.517 412 S HA 0.490 4.960 4.470 -0.000 0.000 0.284 412 S C 0.105 174.607 174.600 -0.163 0.000 1.260 412 S CA -0.155 58.013 58.200 -0.054 0.000 0.975 412 S CB -0.257 62.924 63.200 -0.031 0.000 1.540 412 S HN 0.315 nan 8.310 nan 0.000 0.506 413 F N 2.741 122.729 119.950 0.062 0.000 2.424 413 F HA 0.401 4.928 4.527 -0.000 0.000 0.356 413 F C 1.381 177.229 175.800 0.080 0.000 1.110 413 F CA -0.303 57.743 58.000 0.076 0.000 1.161 413 F CB 0.811 39.857 39.000 0.077 0.000 1.115 413 F HN 0.360 nan 8.300 nan 0.000 0.507 414 T N -0.004 114.694 114.554 0.241 0.000 2.812 414 T HA 0.320 4.670 4.350 -0.000 0.000 0.294 414 T C 0.588 175.422 174.700 0.223 0.000 1.159 414 T CA -0.742 61.470 62.100 0.187 0.000 1.008 414 T CB 1.160 70.097 68.868 0.114 0.000 1.289 414 T HN 0.337 nan 8.240 nan 0.000 0.514 415 I N 0.835 121.523 120.570 0.197 0.000 2.399 415 I HA -0.081 4.089 4.170 -0.000 0.000 0.254 415 I C 1.945 178.202 176.117 0.233 0.000 1.146 415 I CA 1.632 63.084 61.300 0.253 0.000 1.412 415 I CB -0.512 37.614 38.000 0.210 0.000 1.076 415 I HN 0.533 nan 8.210 nan 0.000 0.432 416 K N 0.100 120.589 120.400 0.149 0.000 2.167 416 K HA 0.038 4.357 4.320 -0.000 0.000 0.203 416 K C 2.307 179.021 176.600 0.192 0.000 1.052 416 K CA 1.306 57.658 56.287 0.109 0.000 0.956 416 K CB -0.627 31.916 32.500 0.073 0.000 0.735 416 K HN 0.554 nan 8.250 nan 0.000 0.451 417 S N 1.206 117.030 115.700 0.207 0.000 2.406 417 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 417 S C 1.471 176.303 174.600 0.387 0.000 1.020 417 S CA 0.980 59.328 58.200 0.247 0.000 0.965 417 S CB -0.119 63.152 63.200 0.118 0.000 0.798 417 S HN 0.114 nan 8.310 nan 0.000 0.488 418 D N 1.650 122.299 120.400 0.414 0.000 2.144 418 D HA -0.029 4.611 4.640 -0.000 0.000 0.199 418 D C 2.105 178.778 176.300 0.621 0.000 0.984 418 D CA 0.939 55.257 54.000 0.530 0.000 0.834 418 D CB -0.469 40.654 40.800 0.538 0.000 0.955 418 D HN 0.324 nan 8.370 nan 0.000 0.465 419 V N 1.012 121.133 119.914 0.344 0.000 2.343 419 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 419 V C 2.199 178.468 176.094 0.292 0.000 1.051 419 V CA 1.299 63.581 62.300 -0.030 0.000 1.036 419 V CB -0.460 31.140 31.823 -0.372 0.000 0.654 419 V HN 0.390 nan 8.190 nan 0.000 0.451 420 W N 1.050 122.479 121.300 0.215 0.000 2.338 420 W HA -0.221 4.438 4.660 -0.000 0.000 0.304 420 W C 2.495 179.273 176.519 0.432 0.000 1.212 420 W CA 2.183 59.729 57.345 0.335 0.000 1.264 420 W CB -0.612 29.013 29.460 0.275 0.000 1.142 420 W HN 0.320 nan 8.180 nan 0.000 0.512 421 S N 0.392 116.546 115.700 0.756 0.000 2.399 421 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 421 S C 1.531 176.462 174.600 0.551 0.000 1.022 421 S CA 1.454 60.058 58.200 0.674 0.000 0.983 421 S CB -0.868 62.676 63.200 0.573 0.000 0.803 421 S HN 0.326 nan 8.310 nan 0.000 0.480 422 F N 2.366 122.552 119.950 0.393 0.000 2.186 422 F HA 0.071 4.598 4.527 -0.000 0.000 0.299 422 F C 2.209 178.122 175.800 0.188 0.000 1.090 422 F CA 1.096 59.283 58.000 0.311 0.000 1.307 422 F CB -0.763 38.503 39.000 0.444 0.000 1.019 422 F HN 0.217 nan 8.300 nan 0.000 0.489 423 G N 0.980 109.903 108.800 0.205 0.000 2.422 423 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.218 423 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.218 423 G C 1.634 176.643 174.900 0.182 0.000 1.146 423 G CA 1.013 46.065 45.100 -0.080 0.000 0.769 423 G HN 0.341 nan 8.290 nan 0.000 0.547 424 I N 0.517 121.336 120.570 0.415 0.000 2.252 424 I HA -0.047 4.123 4.170 -0.000 0.000 0.245 424 I C 2.588 178.785 176.117 0.132 0.000 1.102 424 I CA 0.679 62.123 61.300 0.240 0.000 1.385 424 I CB -0.987 37.082 38.000 0.114 0.000 1.064 424 I HN 0.166 nan 8.210 nan 0.000 0.414 425 L N 1.047 122.376 121.223 0.176 0.000 2.046 425 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 425 L C 2.311 179.111 176.870 -0.117 0.000 1.077 425 L CA 1.619 56.510 54.840 0.085 0.000 0.747 425 L CB -1.038 41.026 42.059 0.009 0.000 0.896 425 L HN 0.109 nan 8.230 nan 0.000 0.432 426 L N -0.762 120.283 121.223 -0.297 0.000 2.079 426 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 426 L C 2.468 179.259 176.870 -0.132 0.000 1.081 426 L CA 2.320 56.980 54.840 -0.300 0.000 0.752 426 L CB -0.698 41.130 42.059 -0.384 0.000 0.896 426 L HN 0.492 nan 8.230 nan 0.000 0.433 427 M N -0.577 118.998 119.600 -0.042 0.000 2.175 427 M HA -0.184 4.296 4.480 -0.000 0.000 0.264 427 M C 2.068 178.360 176.300 -0.014 0.000 1.063 427 M CA 1.640 56.946 55.300 0.010 0.000 1.119 427 M CB -0.382 32.272 32.600 0.090 0.000 1.377 427 M HN 0.332 nan 8.290 nan 0.000 0.415 428 E N -0.213 119.989 120.200 0.004 0.000 2.085 428 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 428 E C 2.005 178.601 176.600 -0.007 0.000 0.994 428 E CA 1.725 58.148 56.400 0.039 0.000 0.801 428 E CB -0.289 29.495 29.700 0.139 0.000 0.743 428 E HN 0.581 nan 8.360 nan 0.000 0.453 429 I N 0.432 120.971 120.570 -0.053 0.000 2.233 429 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 429 I C 2.232 178.215 176.117 -0.223 0.000 1.093 429 I CA 0.702 61.941 61.300 -0.102 0.000 1.380 429 I CB -0.092 37.868 38.000 -0.066 0.000 1.067 429 I HN -0.011 nan 8.210 nan 0.000 0.413 430 V N 0.558 120.375 119.914 -0.161 0.000 2.759 430 V HA -0.181 3.939 4.120 -0.000 0.000 0.256 430 V C 2.052 178.086 176.094 -0.101 0.000 1.080 430 V CA 2.140 64.345 62.300 -0.159 0.000 1.101 430 V CB -1.159 30.618 31.823 -0.077 0.000 0.698 430 V HN 0.626 nan 8.190 nan 0.000 0.477 431 T N -4.698 109.835 114.554 -0.035 0.000 3.134 431 T HA 0.160 4.510 4.350 -0.000 0.000 0.260 431 T C 0.446 175.278 174.700 0.221 0.000 1.027 431 T CA -0.483 61.682 62.100 0.108 0.000 0.913 431 T CB -0.444 68.462 68.868 0.063 0.000 1.046 431 T HN 0.340 nan 8.240 nan 0.000 0.553 432 Y N 1.180 121.494 120.300 0.023 0.000 3.389 432 Y HA -0.128 4.422 4.550 -0.000 0.000 0.213 432 Y C 1.554 177.463 175.900 0.015 0.000 1.272 432 Y CA 0.845 58.954 58.100 0.015 0.000 1.444 432 Y CB -2.149 36.307 38.460 -0.007 0.000 1.445 432 Y HN 0.696 nan 8.280 nan 0.000 0.583 433 G N -0.900 107.968 108.800 0.114 0.000 2.175 433 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.244 433 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.244 433 G C 0.451 175.417 174.900 0.110 0.000 0.982 433 G CA -0.096 45.070 45.100 0.109 0.000 0.641 433 G HN 0.610 nan 8.290 nan 0.000 0.527 434 R N 1.107 121.664 120.500 0.096 0.000 2.566 434 R HA 0.206 4.546 4.340 -0.000 0.000 0.273 434 R C 1.548 177.885 176.300 0.061 0.000 0.981 434 R CA 0.420 56.561 56.100 0.070 0.000 1.091 434 R CB -0.052 30.279 30.300 0.052 0.000 0.924 434 R HN 0.772 nan 8.270 nan 0.000 0.411 435 I N 2.795 123.402 120.570 0.061 0.000 2.752 435 I HA 0.160 4.329 4.170 -0.000 0.000 0.287 435 I C -2.150 173.919 176.117 -0.080 0.000 1.188 435 I CA -1.867 59.458 61.300 0.041 0.000 1.427 435 I CB 0.150 38.191 38.000 0.069 0.000 1.365 435 I HN 0.437 nan 8.210 nan 0.000 0.585 436 P HA 0.124 nan 4.420 nan 0.000 0.272 436 P C -1.241 175.953 177.300 -0.178 0.000 1.223 436 P CA 0.081 62.939 63.100 -0.403 0.000 0.784 436 P CB 0.039 31.307 31.700 -0.721 0.000 0.923 437 Y N -0.860 119.365 120.300 -0.126 0.000 3.027 437 Y HA -0.171 4.378 4.550 -0.000 0.000 0.195 437 Y C -1.608 174.270 175.900 -0.038 0.000 1.381 437 Y CA -0.561 57.508 58.100 -0.051 0.000 1.015 437 Y CB -2.342 36.081 38.460 -0.062 0.000 1.329 437 Y HN 0.372 nan 8.280 nan 0.000 0.462 438 P HA 0.163 nan 4.420 nan 0.000 0.265 438 P C 1.207 178.537 177.300 0.050 0.000 1.193 438 P CA 1.629 64.756 63.100 0.046 0.000 0.765 438 P CB 1.326 33.042 31.700 0.027 0.000 0.823 439 G N 2.093 110.916 108.800 0.038 0.000 2.179 439 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 439 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 439 G C 0.076 174.982 174.900 0.010 0.000 0.977 439 G CA 0.005 45.118 45.100 0.022 0.000 0.641 439 G HN 0.493 nan 8.290 nan 0.000 0.533 440 M N 1.705 121.316 119.600 0.020 0.000 2.300 440 M HA 0.519 4.998 4.480 -0.000 0.000 0.348 440 M C 0.923 177.211 176.300 -0.020 0.000 1.151 440 M CA -0.273 55.017 55.300 -0.017 0.000 1.046 440 M CB 1.871 34.454 32.600 -0.029 0.000 1.647 440 M HN 0.409 nan 8.290 nan 0.000 0.451 441 S N 1.453 117.128 115.700 -0.041 0.000 2.645 441 S HA 0.285 4.755 4.470 -0.000 0.000 0.266 441 S C 0.730 175.293 174.600 -0.063 0.000 1.258 441 S CA -0.691 57.488 58.200 -0.034 0.000 0.990 441 S CB 0.737 63.919 63.200 -0.031 0.000 0.967 441 S HN 0.705 nan 8.310 nan 0.000 0.556 442 N N 2.265 120.941 118.700 -0.040 0.000 2.036 442 N HA -0.043 4.697 4.740 -0.000 0.000 0.195 442 N C -1.044 174.414 175.510 -0.087 0.000 1.037 442 N CA 1.632 54.648 53.050 -0.056 0.000 0.855 442 N CB -2.211 36.270 38.487 -0.010 0.000 1.033 442 N HN 0.527 nan 8.380 nan 0.000 0.423 443 P HA -0.111 nan 4.420 nan 0.000 0.215 443 P C 1.227 178.467 177.300 -0.100 0.000 1.157 443 P CA 1.382 64.437 63.100 -0.075 0.000 0.874 443 P CB -0.037 31.630 31.700 -0.055 0.000 0.790 444 E N -0.785 119.353 120.200 -0.104 0.000 2.118 444 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 444 E C 1.933 178.421 176.600 -0.186 0.000 0.992 444 E CA 1.147 57.469 56.400 -0.130 0.000 0.804 444 E CB -0.604 29.024 29.700 -0.119 0.000 0.741 444 E HN 0.010 nan 8.360 nan 0.000 0.458 445 V N 0.947 120.719 119.914 -0.235 0.000 2.307 445 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 445 V C 2.192 178.127 176.094 -0.266 0.000 1.045 445 V CA 1.566 63.640 62.300 -0.376 0.000 1.024 445 V CB -0.399 31.075 31.823 -0.581 0.000 0.651 445 V HN 0.286 nan 8.190 nan 0.000 0.449 446 I N -0.343 120.112 120.570 -0.193 0.000 2.151 446 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 446 I C 2.814 178.867 176.117 -0.107 0.000 1.080 446 I CA 1.865 63.079 61.300 -0.144 0.000 1.339 446 I CB -0.397 37.531 38.000 -0.121 0.000 1.039 446 I HN 0.246 nan 8.210 nan 0.000 0.409 447 R N 0.392 120.832 120.500 -0.100 0.000 2.073 447 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 447 R C 2.482 178.750 176.300 -0.053 0.000 1.120 447 R CA 1.281 57.339 56.100 -0.071 0.000 0.967 447 R CB -0.487 29.770 30.300 -0.073 0.000 0.862 447 R HN 0.359 nan 8.270 nan 0.000 0.436 448 A N 1.633 124.402 122.820 -0.085 0.000 1.892 448 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 448 A C 2.201 179.843 177.584 0.097 0.000 1.188 448 A CA 1.362 53.370 52.037 -0.048 0.000 0.631 448 A CB -0.684 18.192 19.000 -0.206 0.000 0.822 448 A HN 0.187 nan 8.150 nan 0.000 0.447 449 L N -0.888 120.379 121.223 0.074 0.000 2.131 449 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 449 L C 2.657 179.588 176.870 0.102 0.000 1.092 449 L CA 1.224 56.145 54.840 0.135 0.000 0.759 449 L CB -0.432 41.692 42.059 0.108 0.000 0.903 449 L HN 0.395 nan 8.230 nan 0.000 0.435 450 E N 0.870 121.094 120.200 0.041 0.000 2.152 450 E HA -0.140 4.209 4.350 -0.000 0.000 0.192 450 E C 1.991 178.621 176.600 0.050 0.000 0.983 450 E CA 0.960 57.379 56.400 0.031 0.000 0.818 450 E CB 0.172 29.870 29.700 -0.004 0.000 0.758 450 E HN 0.448 nan 8.360 nan 0.000 0.467 451 R N -1.081 119.454 120.500 0.058 0.000 2.310 451 R HA 0.104 4.444 4.340 -0.000 0.000 0.202 451 R C 1.151 177.514 176.300 0.104 0.000 0.933 451 R CA 0.554 56.695 56.100 0.068 0.000 1.054 451 R CB 0.357 30.686 30.300 0.050 0.000 0.985 451 R HN 0.186 nan 8.270 nan 0.000 0.489 452 G N 0.652 109.530 108.800 0.131 0.000 2.141 452 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.242 452 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.242 452 G C -0.145 174.855 174.900 0.167 0.000 0.982 452 G CA -0.106 45.078 45.100 0.140 0.000 0.662 452 G HN 0.439 nan 8.290 nan 0.000 0.527 453 Y N 2.076 122.416 120.300 0.066 0.000 2.480 453 Y HA 0.577 5.127 4.550 0.000 0.000 0.338 453 Y C 0.606 176.557 175.900 0.084 0.000 1.220 453 Y CA -0.096 58.046 58.100 0.070 0.000 1.430 453 Y CB 0.543 39.034 38.460 0.051 0.000 1.311 453 Y HN 0.238 nan 8.280 nan 0.000 0.575 454 R N 5.645 125.708 120.500 -0.729 0.000 2.771 454 R HA 0.325 4.665 4.340 -0.000 0.000 0.274 454 R C -0.900 174.869 176.300 -0.885 0.000 0.987 454 R CA -1.201 54.541 56.100 -0.597 0.000 0.908 454 R CB 1.681 31.898 30.300 -0.137 0.000 1.213 454 R HN 0.870 nan 8.270 nan 0.000 0.468 455 M N 3.860 123.113 119.600 -0.579 0.000 2.251 455 M HA 0.066 4.546 4.480 -0.000 0.000 0.343 455 M C -1.677 174.623 176.300 -0.000 0.000 1.245 455 M CA -0.598 54.528 55.300 -0.290 0.000 1.061 455 M CB 0.218 32.616 32.600 -0.336 0.000 1.723 455 M HN 0.155 nan 8.290 nan 0.000 0.449 456 P HA 0.113 nan 4.420 nan 0.000 0.274 456 P C -0.972 176.227 177.300 -0.167 0.000 1.237 456 P CA -0.401 62.683 63.100 -0.027 0.000 0.793 456 P CB 0.436 32.113 31.700 -0.039 0.000 0.977 457 R N 2.698 122.787 120.500 -0.685 0.000 2.458 457 R HA 0.123 4.463 4.340 -0.000 0.000 0.303 457 R C -1.657 174.456 176.300 -0.312 0.000 1.013 457 R CA -0.939 54.649 56.100 -0.852 0.000 1.026 457 R CB -0.374 29.210 30.300 -1.194 0.000 0.948 457 R HN 0.406 nan 8.270 nan 0.000 0.417 458 P HA 0.028 nan 4.420 nan 0.000 0.275 458 P C -0.199 177.060 177.300 -0.069 0.000 1.266 458 P CA -0.234 62.821 63.100 -0.075 0.000 0.793 458 P CB 0.743 32.431 31.700 -0.019 0.000 1.074 459 E N 0.603 120.786 120.200 -0.028 0.000 2.047 459 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 459 E C 1.195 177.797 176.600 0.002 0.000 0.987 459 E CA 1.202 57.593 56.400 -0.016 0.000 0.799 459 E CB -0.334 29.366 29.700 -0.000 0.000 0.752 459 E HN 0.457 nan 8.360 nan 0.000 0.449 460 N N -0.068 118.649 118.700 0.028 0.000 2.466 460 N HA -0.020 4.720 4.740 -0.000 0.000 0.251 460 N C -1.148 174.385 175.510 0.037 0.000 1.164 460 N CA -0.052 53.029 53.050 0.052 0.000 0.888 460 N CB -0.238 38.312 38.487 0.105 0.000 1.177 460 N HN 0.019 nan 8.380 nan 0.000 0.498 461 C N 1.529 120.836 119.300 0.012 0.000 2.346 461 C HA 0.518 4.978 4.460 -0.000 0.000 0.326 461 C C -2.623 172.382 174.990 0.024 0.000 1.224 461 C CA -1.624 57.399 59.018 0.007 0.000 1.408 461 C CB 0.574 28.305 27.740 -0.015 0.000 2.089 461 C HN 0.291 nan 8.230 nan 0.000 0.456 462 P HA 0.182 nan 4.420 nan 0.000 0.271 462 P C 0.746 178.111 177.300 0.109 0.000 1.216 462 P CA 0.247 63.406 63.100 0.098 0.000 0.776 462 P CB 0.663 32.473 31.700 0.183 0.000 0.881 463 E N 2.015 122.263 120.200 0.079 0.000 2.114 463 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 463 E C 1.247 177.929 176.600 0.136 0.000 1.008 463 E CA 1.822 58.282 56.400 0.101 0.000 0.810 463 E CB -0.188 29.546 29.700 0.057 0.000 0.739 463 E HN 0.592 nan 8.360 nan 0.000 0.456 464 E N 0.479 120.756 120.200 0.128 0.000 2.208 464 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 464 E C 1.928 178.680 176.600 0.252 0.000 0.988 464 E CA 0.253 56.736 56.400 0.140 0.000 0.828 464 E CB -0.134 29.570 29.700 0.006 0.000 0.763 464 E HN 0.074 nan 8.360 nan 0.000 0.478 465 L N -0.411 120.977 121.223 0.276 0.000 2.072 465 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 465 L C 2.021 178.885 176.870 -0.010 0.000 1.079 465 L CA 1.545 56.405 54.840 0.033 0.000 0.752 465 L CB -0.528 41.439 42.059 -0.153 0.000 0.906 465 L HN 0.128 nan 8.230 nan 0.000 0.436 466 Y N 0.341 120.588 120.300 -0.089 0.000 2.256 466 Y HA -0.286 4.263 4.550 -0.000 0.000 0.288 466 Y C 2.518 178.308 175.900 -0.183 0.000 1.155 466 Y CA 2.011 60.023 58.100 -0.146 0.000 1.203 466 Y CB -0.403 38.006 38.460 -0.085 0.000 0.980 466 Y HN 0.466 nan 8.280 nan 0.000 0.530 467 N N 0.088 118.720 118.700 -0.112 0.000 2.188 467 N HA -0.165 4.574 4.740 -0.000 0.000 0.184 467 N C 1.626 176.984 175.510 -0.254 0.000 1.018 467 N CA 1.606 54.539 53.050 -0.195 0.000 0.858 467 N CB -0.298 38.150 38.487 -0.064 0.000 0.989 467 N HN 0.294 nan 8.380 nan 0.000 0.426 468 I N 0.693 121.152 120.570 -0.184 0.000 2.151 468 I HA -0.291 3.878 4.170 -0.000 0.000 0.243 468 I C 2.172 178.041 176.117 -0.412 0.000 1.080 468 I CA 1.285 62.469 61.300 -0.192 0.000 1.339 468 I CB -1.166 36.772 38.000 -0.104 0.000 1.039 468 I HN 0.329 nan 8.210 nan 0.000 0.409 469 M N -0.660 118.564 119.600 -0.626 0.000 2.080 469 M HA -0.245 4.234 4.480 -0.000 0.000 0.260 469 M C 2.347 177.691 176.300 -1.594 0.000 1.068 469 M CA 1.747 56.321 55.300 -1.209 0.000 1.109 469 M CB -0.351 31.441 32.600 -1.348 0.000 1.342 469 M HN 0.153 nan 8.290 nan 0.000 0.405 470 M N -0.323 118.604 119.600 -1.122 0.000 2.108 470 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 470 M C 2.092 178.121 176.300 -0.451 0.000 1.066 470 M CA 1.841 56.713 55.300 -0.714 0.000 1.107 470 M CB -1.176 31.103 32.600 -0.536 0.000 1.356 470 M HN 0.263 nan 8.290 nan 0.000 0.406 471 R N -0.909 119.358 120.500 -0.389 0.000 2.096 471 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 471 R C 2.361 178.524 176.300 -0.228 0.000 1.127 471 R CA 1.446 57.405 56.100 -0.235 0.000 0.968 471 R CB -0.608 29.596 30.300 -0.159 0.000 0.861 471 R HN 0.385 nan 8.270 nan 0.000 0.440 472 C N -0.581 118.501 119.300 -0.364 0.000 2.422 472 C HA -0.094 4.366 4.460 -0.000 0.000 0.279 472 C C 1.412 176.282 174.990 -0.199 0.000 1.305 472 C CA 0.149 58.991 59.018 -0.294 0.000 1.757 472 C CB -0.717 26.788 27.740 -0.390 0.000 1.962 472 C HN 0.606 nan 8.230 nan 0.000 0.499 473 W N 1.135 122.161 121.300 -0.457 0.000 3.305 473 W HA 0.287 4.947 4.660 0.000 0.000 0.392 473 W C 0.473 176.838 176.519 -0.257 0.000 1.121 473 W CA -0.894 55.968 57.345 -0.806 0.000 1.909 473 W CB -0.938 27.926 29.460 -0.994 0.000 1.065 473 W HN 0.187 nan 8.180 nan 0.000 0.714 474 K N 1.300 121.761 120.400 0.102 0.000 2.448 474 K HA -0.080 4.240 4.320 -0.000 0.000 0.278 474 K C 1.272 178.057 176.600 0.308 0.000 1.009 474 K CA 0.019 56.396 56.287 0.150 0.000 0.995 474 K CB 0.674 33.216 32.500 0.071 0.000 0.917 474 K HN 0.069 nan 8.250 nan 0.000 0.481 475 N N 2.534 121.392 118.700 0.264 0.000 2.244 475 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 475 N C -0.307 175.304 175.510 0.168 0.000 1.016 475 N CA 0.838 54.045 53.050 0.261 0.000 0.866 475 N CB 0.396 38.989 38.487 0.177 0.000 0.980 475 N HN 0.367 nan 8.380 nan 0.000 0.430 476 R N 0.793 121.366 120.500 0.121 0.000 2.234 476 R HA 0.163 4.503 4.340 -0.000 0.000 0.324 476 R C -1.653 174.697 176.300 0.084 0.000 1.054 476 R CA -1.613 54.532 56.100 0.076 0.000 0.912 476 R CB 1.230 31.555 30.300 0.042 0.000 1.030 476 R HN 0.137 nan 8.270 nan 0.000 0.455 477 P HA -0.220 nan 4.420 nan 0.000 0.218 477 P C 0.862 178.186 177.300 0.040 0.000 1.149 477 P CA 1.063 64.209 63.100 0.077 0.000 0.817 477 P CB 0.212 31.944 31.700 0.054 0.000 0.785 478 E N 0.800 121.012 120.200 0.019 0.000 2.268 478 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 478 E C 1.062 177.653 176.600 -0.016 0.000 0.995 478 E CA 1.183 57.581 56.400 -0.003 0.000 0.836 478 E CB -0.816 28.879 29.700 -0.009 0.000 0.763 478 E HN 0.411 nan 8.360 nan 0.000 0.491 479 E N 0.980 121.177 120.200 -0.006 0.000 2.489 479 E HA 0.095 4.445 4.350 -0.000 0.000 0.193 479 E C 0.291 176.867 176.600 -0.040 0.000 1.057 479 E CA -0.156 56.229 56.400 -0.025 0.000 0.866 479 E CB 0.183 29.878 29.700 -0.009 0.000 0.916 479 E HN 0.183 nan 8.360 nan 0.000 0.500 480 R N 2.185 122.670 120.500 -0.025 0.000 2.441 480 R HA 0.189 4.529 4.340 -0.000 0.000 0.284 480 R C -2.304 173.934 176.300 -0.104 0.000 1.070 480 R CA -1.831 54.239 56.100 -0.050 0.000 1.047 480 R CB 0.138 30.436 30.300 -0.004 0.000 1.016 480 R HN -0.083 nan 8.270 nan 0.000 0.477 481 P HA -0.047 nan 4.420 nan 0.000 0.270 481 P C -0.259 176.941 177.300 -0.166 0.000 1.227 481 P CA -0.149 62.875 63.100 -0.128 0.000 0.788 481 P CB 0.375 32.073 31.700 -0.003 0.000 0.926 482 T N -2.101 112.395 114.554 -0.097 0.000 2.849 482 T HA 0.256 4.606 4.350 -0.000 0.000 0.284 482 T C 0.854 175.484 174.700 -0.118 0.000 1.004 482 T CA -0.174 61.866 62.100 -0.099 0.000 1.021 482 T CB -0.000 68.870 68.868 0.004 0.000 1.013 482 T HN 0.072 nan 8.240 nan 0.000 0.527 483 F N -0.046 119.866 119.950 -0.064 0.000 2.325 483 F HA 0.112 4.639 4.527 -0.000 0.000 0.299 483 F C 2.593 178.325 175.800 -0.113 0.000 1.090 483 F CA 1.000 58.903 58.000 -0.162 0.000 1.392 483 F CB -0.463 38.417 39.000 -0.200 0.000 1.053 483 F HN 0.822 nan 8.300 nan 0.000 0.521 484 E N -0.428 119.854 120.200 0.137 0.000 2.085 484 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 484 E C 2.149 178.793 176.600 0.073 0.000 0.994 484 E CA 1.528 57.980 56.400 0.086 0.000 0.801 484 E CB -0.367 29.383 29.700 0.082 0.000 0.743 484 E HN 0.542 nan 8.360 nan 0.000 0.453 485 Y N 0.684 120.968 120.300 -0.027 0.000 2.243 485 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 485 Y C 1.958 177.831 175.900 -0.043 0.000 1.124 485 Y CA 1.324 59.401 58.100 -0.038 0.000 1.159 485 Y CB -0.150 38.277 38.460 -0.055 0.000 1.008 485 Y HN -0.012 nan 8.280 nan 0.000 0.527 486 I N 0.674 121.167 120.570 -0.127 0.000 2.163 486 I HA -0.378 3.792 4.170 -0.000 0.000 0.243 486 I C 2.708 178.717 176.117 -0.180 0.000 1.085 486 I CA 1.996 63.172 61.300 -0.206 0.000 1.347 486 I CB -0.539 37.342 38.000 -0.199 0.000 1.044 486 I HN 0.366 nan 8.210 nan 0.000 0.408 487 Q N 0.637 120.371 119.800 -0.110 0.000 2.084 487 Q HA -0.245 4.094 4.340 -0.000 0.000 0.202 487 Q C 2.382 178.334 176.000 -0.081 0.000 0.978 487 Q CA 2.469 58.231 55.803 -0.067 0.000 0.844 487 Q CB -0.058 28.661 28.738 -0.031 0.000 0.898 487 Q HN 0.619 nan 8.270 nan 0.000 0.426 488 S N -0.746 114.882 115.700 -0.120 0.000 2.368 488 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 488 S C 1.995 176.499 174.600 -0.161 0.000 1.030 488 S CA 1.358 59.486 58.200 -0.119 0.000 0.999 488 S CB -0.671 62.464 63.200 -0.108 0.000 0.844 488 S HN 0.250 nan 8.310 nan 0.000 0.459 489 V N 2.255 121.991 119.914 -0.298 0.000 2.307 489 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 489 V C 2.633 178.720 176.094 -0.011 0.000 1.045 489 V CA 1.824 63.989 62.300 -0.226 0.000 1.024 489 V CB -0.877 30.710 31.823 -0.393 0.000 0.651 489 V HN 0.464 nan 8.190 nan 0.000 0.449 490 L N -0.340 120.864 121.223 -0.032 0.000 2.056 490 L HA -0.171 4.168 4.340 -0.000 0.000 0.207 490 L C 2.401 179.303 176.870 0.053 0.000 1.078 490 L CA 1.529 56.374 54.840 0.008 0.000 0.749 490 L CB -0.806 41.247 42.059 -0.009 0.000 0.901 490 L HN 0.309 nan 8.230 nan 0.000 0.433 491 D N 0.107 120.520 120.400 0.023 0.000 2.133 491 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 491 D C 1.074 177.411 176.300 0.063 0.000 0.997 491 D CA 1.359 55.378 54.000 0.032 0.000 0.840 491 D CB -0.067 40.734 40.800 0.001 0.000 0.947 491 D HN 0.267 nan 8.370 nan 0.000 0.452 492 D N -1.206 119.226 120.400 0.053 0.000 2.593 492 D HA 0.030 4.670 4.640 -0.000 0.000 0.241 492 D C 1.021 177.349 176.300 0.047 0.000 1.257 492 D CA -0.346 53.682 54.000 0.047 0.000 0.828 492 D CB -0.083 40.714 40.800 -0.006 0.000 1.049 492 D HN 0.068 nan 8.370 nan 0.000 0.490 493 F N 0.297 120.193 119.950 -0.089 0.000 2.202 493 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 493 F C 1.051 176.635 175.800 -0.360 0.000 1.082 493 F CA 1.569 59.423 58.000 -0.242 0.000 1.313 493 F CB 0.063 38.875 39.000 -0.313 0.000 1.024 493 F HN 0.048 nan 8.300 nan 0.000 0.495 494 Y N -1.227 119.091 120.300 0.029 0.000 2.507 494 Y HA 0.251 4.801 4.550 -0.000 0.000 0.254 494 Y C 0.172 176.034 175.900 -0.063 0.000 1.171 494 Y CA -0.185 57.889 58.100 -0.043 0.000 1.238 494 Y CB 0.012 38.482 38.460 0.017 0.000 1.148 494 Y HN -0.295 nan 8.280 nan 0.000 0.525 495 T N 0.923 115.504 114.554 0.046 0.000 2.815 495 T HA 0.640 4.989 4.350 -0.000 0.000 0.289 495 T C 0.061 174.739 174.700 -0.036 0.000 1.000 495 T CA -0.829 61.279 62.100 0.013 0.000 0.958 495 T CB 1.332 70.219 68.868 0.031 0.000 0.944 495 T HN 0.203 nan 8.240 nan 0.000 0.442 496 A N 3.125 125.919 122.820 -0.043 0.000 2.511 496 A HA 0.348 4.668 4.320 -0.000 0.000 0.242 496 A C 1.672 179.233 177.584 -0.038 0.000 1.069 496 A CA -0.111 51.897 52.037 -0.050 0.000 0.763 496 A CB -0.278 18.695 19.000 -0.045 0.000 1.001 496 A HN 0.886 nan 8.150 nan 0.000 0.498 497 T N 1.167 115.698 114.554 -0.039 0.000 2.592 497 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 497 T C 1.742 176.425 174.700 -0.028 0.000 1.060 497 T CA 1.869 63.950 62.100 -0.032 0.000 1.167 497 T CB -0.317 68.535 68.868 -0.027 0.000 0.863 497 T HN 0.809 nan 8.240 nan 0.000 0.431 498 E N 0.555 120.739 120.200 -0.026 0.000 2.233 498 E HA -0.135 4.215 4.350 -0.000 0.000 0.199 498 E C 1.931 178.516 176.600 -0.025 0.000 1.004 498 E CA 1.098 57.484 56.400 -0.022 0.000 0.819 498 E CB -0.139 29.549 29.700 -0.019 0.000 0.738 498 E HN 0.400 nan 8.360 nan 0.000 0.478 499 S N 0.202 115.885 115.700 -0.028 0.000 2.556 499 S HA 0.065 4.534 4.470 -0.000 0.000 0.216 499 S C 0.485 175.068 174.600 -0.027 0.000 0.970 499 S CA -0.238 57.945 58.200 -0.030 0.000 0.912 499 S CB 0.353 63.537 63.200 -0.027 0.000 0.790 499 S HN 0.247 nan 8.310 nan 0.000 0.504 503 E N 0.628 120.825 120.200 -0.004 0.000 2.312 503 E HA 0.742 5.092 4.350 -0.000 0.000 0.259 503 E C -0.500 176.163 176.600 0.104 0.000 1.122 503 E CA -0.608 55.820 56.400 0.046 0.000 0.922 503 E CB 1.161 30.883 29.700 0.037 0.000 1.109 503 E HN 0.392 nan 8.360 nan 0.000 0.442 504 I N 2.320 122.958 120.570 0.113 0.000 2.740 504 I HA 0.171 4.341 4.170 -0.000 0.000 0.281 504 I C -2.506 173.680 176.117 0.115 0.000 1.427 504 I CA -1.361 60.016 61.300 0.128 0.000 1.110 504 I CB 1.208 39.308 38.000 0.167 0.000 1.416 504 I HN 0.507 nan 8.210 nan 0.000 0.429 505 P HA 0.000 nan 4.420 nan 0.000 0.216 505 P CA 0.000 63.148 63.100 0.080 0.000 0.800 505 P CB 0.000 31.735 31.700 0.058 0.000 0.726