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 3o86_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.435 177.584 -0.248 0.000 1.274 4 A CA 0.000 51.880 52.037 -0.262 0.000 0.836 4 A CB 0.000 18.837 19.000 -0.271 0.000 0.831 5 P HA 0.105 nan 4.420 nan 0.000 0.267 5 P C 0.781 177.966 177.300 -0.191 0.000 1.200 5 P CA -0.183 62.770 63.100 -0.246 0.000 0.772 5 P CB 0.603 32.110 31.700 -0.321 0.000 0.855 6 Q N 2.262 121.990 119.800 -0.119 0.000 2.135 6 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 6 Q C 1.733 177.682 176.000 -0.085 0.000 0.981 6 Q CA 2.180 57.937 55.803 -0.076 0.000 0.856 6 Q CB -0.027 28.682 28.738 -0.048 0.000 0.902 6 Q HN 0.697 nan 8.270 nan 0.000 0.425 7 Q N -0.779 118.944 119.800 -0.128 0.000 2.167 7 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 7 Q C 2.047 177.956 176.000 -0.151 0.000 0.970 7 Q CA 1.383 57.109 55.803 -0.127 0.000 0.855 7 Q CB -0.316 28.336 28.738 -0.143 0.000 0.911 7 Q HN 0.416 nan 8.270 nan 0.000 0.438 8 I N 1.228 121.666 120.570 -0.219 0.000 2.193 8 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 8 I C 1.934 178.017 176.117 -0.056 0.000 1.084 8 I CA 0.795 61.985 61.300 -0.183 0.000 1.365 8 I CB -0.498 37.340 38.000 -0.269 0.000 1.064 8 I HN 0.259 nan 8.210 nan 0.000 0.410 9 N N 0.988 119.703 118.700 0.024 0.000 2.094 9 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 9 N C 1.518 177.072 175.510 0.074 0.000 1.023 9 N CA 1.855 54.975 53.050 0.116 0.000 0.857 9 N CB -0.537 37.999 38.487 0.082 0.000 1.013 9 N HN 0.370 nan 8.380 nan 0.000 0.426 10 D N 0.361 120.781 120.400 0.033 0.000 2.092 10 D HA -0.113 4.527 4.640 -0.000 0.000 0.193 10 D C 1.897 178.221 176.300 0.041 0.000 0.994 10 D CA 0.687 54.718 54.000 0.052 0.000 0.828 10 D CB -0.207 40.601 40.800 0.013 0.000 0.963 10 D HN 0.135 nan 8.370 nan 0.000 0.450 11 I N -0.311 120.252 120.570 -0.012 0.000 2.353 11 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 11 I C 2.075 178.176 176.117 -0.027 0.000 1.119 11 I CA 0.735 62.021 61.300 -0.024 0.000 1.417 11 I CB -0.144 37.828 38.000 -0.047 0.000 1.078 11 I HN -0.028 nan 8.210 nan 0.000 0.421 12 V N 0.227 120.096 119.914 -0.076 0.000 2.295 12 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 12 V C 2.557 178.716 176.094 0.108 0.000 1.049 12 V CA 2.297 64.530 62.300 -0.112 0.000 1.024 12 V CB -1.127 30.378 31.823 -0.530 0.000 0.648 12 V HN 0.538 nan 8.190 nan 0.000 0.447 13 H N 0.731 119.835 119.070 0.055 0.000 2.389 13 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 13 H C 2.388 177.770 175.328 0.091 0.000 1.081 13 H CA 1.760 57.899 56.048 0.151 0.000 1.345 13 H CB -0.092 29.743 29.762 0.123 0.000 1.393 13 H HN 0.285 nan 8.280 nan 0.000 0.520 14 R N -1.170 119.333 120.500 0.004 0.000 2.189 14 R HA -0.003 4.337 4.340 -0.000 0.000 0.218 14 R C 1.566 177.831 176.300 -0.057 0.000 1.074 14 R CA 1.523 57.575 56.100 -0.081 0.000 0.991 14 R CB 0.293 30.571 30.300 -0.037 0.000 0.883 14 R HN 0.313 nan 8.270 nan 0.000 0.457 15 T N 0.157 114.696 114.554 -0.024 0.000 3.044 15 T HA 0.134 4.484 4.350 -0.000 0.000 0.237 15 T C 1.669 176.330 174.700 -0.065 0.000 1.001 15 T CA 0.195 62.279 62.100 -0.027 0.000 1.160 15 T CB 0.238 69.105 68.868 -0.001 0.000 0.889 15 T HN -0.051 nan 8.240 nan 0.000 0.442 16 I N 2.190 122.710 120.570 -0.083 0.000 2.333 16 I HA -0.055 4.115 4.170 -0.000 0.000 0.246 16 I C 2.560 178.452 176.117 -0.376 0.000 1.106 16 I CA 1.351 62.495 61.300 -0.260 0.000 1.411 16 I CB -1.790 35.971 38.000 -0.397 0.000 1.082 16 I HN 0.250 nan 8.210 nan 0.000 0.420 17 T N 2.175 116.637 114.554 -0.153 0.000 2.684 17 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 17 T C -0.280 174.330 174.700 -0.150 0.000 1.036 17 T CA 1.599 63.642 62.100 -0.094 0.000 1.148 17 T CB -1.319 67.723 68.868 0.291 0.000 0.863 17 T HN 0.232 nan 8.240 nan 0.000 0.436 18 P HA 0.026 nan 4.420 nan 0.000 0.219 18 P C 1.636 178.858 177.300 -0.130 0.000 1.150 18 P CA 0.405 63.439 63.100 -0.110 0.000 0.814 18 P CB -0.170 31.477 31.700 -0.088 0.000 0.787 19 L N -0.493 120.634 121.223 -0.161 0.000 2.042 19 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 19 L C 2.122 178.838 176.870 -0.256 0.000 1.076 19 L CA 1.877 56.608 54.840 -0.181 0.000 0.749 19 L CB -1.172 40.777 42.059 -0.183 0.000 0.893 19 L HN -0.128 nan 8.230 nan 0.000 0.432 20 I N -0.544 119.833 120.570 -0.320 0.000 2.226 20 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 20 I C 2.418 178.418 176.117 -0.196 0.000 1.100 20 I CA 1.063 62.172 61.300 -0.319 0.000 1.374 20 I CB -0.420 37.340 38.000 -0.399 0.000 1.057 20 I HN 0.325 nan 8.210 nan 0.000 0.413 21 E N 0.567 120.679 120.200 -0.147 0.000 2.072 21 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 21 E C 2.170 178.721 176.600 -0.082 0.000 0.985 21 E CA 1.223 57.569 56.400 -0.089 0.000 0.801 21 E CB -0.314 29.350 29.700 -0.061 0.000 0.750 21 E HN 0.593 nan 8.360 nan 0.000 0.452 22 Q N 0.122 119.868 119.800 -0.090 0.000 2.119 22 Q HA -0.100 4.240 4.340 -0.000 0.000 0.201 22 Q C 1.842 177.803 176.000 -0.065 0.000 0.972 22 Q CA 0.999 56.763 55.803 -0.065 0.000 0.847 22 Q CB 0.133 28.837 28.738 -0.056 0.000 0.903 22 Q HN 0.147 nan 8.270 nan 0.000 0.433 23 Q N 0.021 119.754 119.800 -0.111 0.000 2.319 23 Q HA 0.091 4.431 4.340 -0.000 0.000 0.202 23 Q C -0.391 175.554 176.000 -0.092 0.000 0.896 23 Q CA 0.141 55.880 55.803 -0.106 0.000 0.942 23 Q CB 0.741 29.334 28.738 -0.242 0.000 1.083 23 Q HN 0.272 nan 8.270 nan 0.000 0.510 24 K N 0.928 121.272 120.400 -0.093 0.000 3.148 24 K HA -0.179 4.141 4.320 -0.000 0.000 0.267 24 K C -0.491 176.063 176.600 -0.077 0.000 0.996 24 K CA 0.279 56.523 56.287 -0.071 0.000 0.737 24 K CB -1.938 30.538 32.500 -0.040 0.000 1.308 24 K HN 0.272 nan 8.250 nan 0.000 0.470 25 I N 0.917 121.413 120.570 -0.123 0.000 2.452 25 I HA 0.014 4.184 4.170 -0.000 0.000 0.287 25 I C -0.927 175.166 176.117 -0.040 0.000 1.079 25 I CA -2.030 59.210 61.300 -0.099 0.000 1.387 25 I CB 0.785 38.658 38.000 -0.211 0.000 1.404 25 I HN 0.006 nan 8.210 nan 0.000 0.522 26 P HA 0.000 nan 4.420 nan 0.000 0.216 26 P C 0.383 177.742 177.300 0.100 0.000 1.153 26 P CA 0.534 63.634 63.100 0.001 0.000 0.844 26 P CB 0.304 31.936 31.700 -0.114 0.000 0.787 27 G N -1.334 107.584 108.800 0.197 0.000 2.706 27 G HA2 0.682 4.642 3.960 -0.000 0.000 0.297 27 G HA3 0.682 4.642 3.960 -0.000 0.000 0.297 27 G C -1.920 173.224 174.900 0.407 0.000 1.403 27 G CA -0.365 44.922 45.100 0.311 0.000 0.954 27 G HN 0.039 nan 8.290 nan 0.000 0.500 28 M N 1.084 120.960 119.600 0.459 0.000 2.413 28 M HA 0.718 5.197 4.480 -0.000 0.000 0.287 28 M C -1.424 175.200 176.300 0.540 0.000 1.186 28 M CA -0.517 55.018 55.300 0.391 0.000 0.927 28 M CB 2.297 34.974 32.600 0.129 0.000 1.715 28 M HN 1.038 nan 8.290 nan 0.000 0.478 29 A N 3.338 126.339 122.820 0.301 0.000 2.371 29 A HA 0.880 5.200 4.320 -0.000 0.000 0.311 29 A C -1.749 176.045 177.584 0.350 0.000 1.068 29 A CA -0.621 51.639 52.037 0.371 0.000 0.744 29 A CB 1.762 20.922 19.000 0.267 0.000 1.239 29 A HN 0.623 nan 8.150 nan 0.000 0.435 30 V N 0.854 121.097 119.914 0.549 0.000 2.789 30 V HA 0.814 4.934 4.120 -0.000 0.000 0.311 30 V C 0.129 176.569 176.094 0.576 0.000 1.073 30 V CA -0.231 62.371 62.300 0.504 0.000 0.921 30 V CB 1.916 34.065 31.823 0.543 0.000 1.009 30 V HN 1.418 nan 8.190 nan 0.000 0.426 31 A N 3.648 126.723 122.820 0.425 0.000 2.355 31 A HA 0.893 5.213 4.320 -0.000 0.000 0.317 31 A C -1.144 176.610 177.584 0.284 0.000 1.094 31 A CA -0.563 51.675 52.037 0.336 0.000 0.764 31 A CB 1.794 20.939 19.000 0.241 0.000 1.230 31 A HN 0.663 nan 8.150 nan 0.000 0.448 32 V N 4.001 124.109 119.914 0.323 0.000 2.448 32 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 32 V C -0.604 175.618 176.094 0.213 0.000 1.025 32 V CA -0.536 61.924 62.300 0.267 0.000 0.859 32 V CB 1.491 33.505 31.823 0.319 0.000 0.988 32 V HN 0.717 nan 8.190 nan 0.000 0.431 33 I N 5.363 126.012 120.570 0.132 0.000 2.315 33 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 33 I C -0.728 175.493 176.117 0.173 0.000 1.006 33 I CA -0.438 60.911 61.300 0.081 0.000 1.265 33 I CB 0.799 38.783 38.000 -0.027 0.000 1.387 33 I HN 0.673 nan 8.210 nan 0.000 0.475 34 Y N 5.817 126.181 120.300 0.107 0.000 2.346 34 Y HA 0.282 4.832 4.550 0.000 0.000 0.332 34 Y C 0.434 176.383 175.900 0.082 0.000 0.985 34 Y CA -0.621 57.542 58.100 0.106 0.000 1.112 34 Y CB 1.206 39.767 38.460 0.169 0.000 1.170 34 Y HN 0.690 nan 8.280 nan 0.000 0.447 35 Q N 4.538 124.065 119.800 -0.456 0.000 2.457 35 Q HA -0.273 4.067 4.340 -0.000 0.000 0.283 35 Q C 1.115 177.030 176.000 -0.141 0.000 1.234 35 Q CA 1.285 56.890 55.803 -0.331 0.000 0.877 35 Q CB -1.529 26.990 28.738 -0.364 0.000 1.250 35 Q HN 1.402 nan 8.270 nan 0.000 0.481 36 G N -2.787 105.942 108.800 -0.119 0.000 2.234 36 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.260 36 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.260 36 G C 0.157 175.001 174.900 -0.094 0.000 0.987 36 G CA 0.708 45.745 45.100 -0.105 0.000 0.625 36 G HN 0.802 nan 8.290 nan 0.000 0.532 37 K N 1.428 121.784 120.400 -0.074 0.000 2.159 37 K HA 0.852 5.172 4.320 -0.000 0.000 0.266 37 K C -2.585 173.806 176.600 -0.348 0.000 0.975 37 K CA -1.381 54.792 56.287 -0.190 0.000 0.865 37 K CB 1.669 34.057 32.500 -0.186 0.000 1.087 37 K HN 0.274 nan 8.250 nan 0.000 0.446 38 P HA 0.477 nan 4.420 nan 0.000 0.288 38 P C -1.395 175.272 177.300 -1.055 0.000 1.267 38 P CA -0.390 62.353 63.100 -0.595 0.000 0.815 38 P CB 0.504 31.919 31.700 -0.474 0.000 0.989 39 Y N 0.962 120.952 120.300 -0.517 0.000 2.442 39 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 39 Y C -0.184 175.270 175.900 -0.743 0.000 0.976 39 Y CA -0.574 57.209 58.100 -0.530 0.000 1.040 39 Y CB 1.969 40.313 38.460 -0.193 0.000 1.228 39 Y HN 0.279 nan 8.280 nan 0.000 0.451 40 Y N 2.145 122.188 120.300 -0.428 0.000 2.485 40 Y HA 0.710 5.260 4.550 -0.000 0.000 0.345 40 Y C -1.158 174.246 175.900 -0.827 0.000 0.998 40 Y CA -1.712 56.169 58.100 -0.364 0.000 1.059 40 Y CB 1.542 39.911 38.460 -0.152 0.000 1.234 40 Y HN 0.368 nan 8.280 nan 0.000 0.461 41 F N 0.185 120.238 119.950 0.172 0.000 2.574 41 F HA 0.648 5.175 4.527 -0.000 0.000 0.313 41 F C -0.340 175.359 175.800 -0.169 0.000 1.130 41 F CA -1.001 56.920 58.000 -0.131 0.000 0.936 41 F CB 2.275 41.208 39.000 -0.111 0.000 1.219 41 F HN 0.389 nan 8.300 nan 0.000 0.445 42 T N -1.356 113.010 114.554 -0.312 0.000 2.906 42 T HA 0.689 5.039 4.350 -0.000 0.000 0.295 42 T C -1.565 172.981 174.700 -0.257 0.000 1.061 42 T CA -0.749 61.324 62.100 -0.046 0.000 1.000 42 T CB 1.952 70.857 68.868 0.061 0.000 1.103 42 T HN 0.619 nan 8.240 nan 0.000 0.486 43 W N 0.467 121.849 121.300 0.136 0.000 3.138 43 W HA 0.506 5.166 4.660 -0.000 0.000 0.331 43 W C 0.736 177.276 176.519 0.035 0.000 1.166 43 W CA -0.216 57.171 57.345 0.070 0.000 1.212 43 W CB 1.830 31.331 29.460 0.069 0.000 1.399 43 W HN 1.416 nan 8.180 nan 0.000 0.514 44 G N 1.497 110.370 108.800 0.121 0.000 2.553 44 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 44 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 44 G C -1.643 173.197 174.900 -0.099 0.000 1.277 44 G CA -0.475 44.566 45.100 -0.097 0.000 0.910 44 G HN 0.552 nan 8.290 nan 0.000 0.576 45 Y N 0.174 120.565 120.300 0.151 0.000 2.393 45 Y HA 0.558 5.108 4.550 -0.000 0.000 0.341 45 Y C 1.378 177.383 175.900 0.176 0.000 0.988 45 Y CA -0.379 57.801 58.100 0.133 0.000 1.078 45 Y CB 1.997 40.504 38.460 0.078 0.000 1.203 45 Y HN 0.836 nan 8.280 nan 0.000 0.453 46 A N 1.144 124.170 122.820 0.343 0.000 1.929 46 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 46 A C 0.299 178.091 177.584 0.347 0.000 1.176 46 A CA 1.574 53.759 52.037 0.247 0.000 0.628 46 A CB -0.018 19.061 19.000 0.132 0.000 0.816 46 A HN 0.677 nan 8.150 nan 0.000 0.444 47 D N -1.403 119.194 120.400 0.329 0.000 2.602 47 D HA 0.408 5.048 4.640 -0.000 0.000 0.245 47 D C 0.502 176.871 176.300 0.114 0.000 1.325 47 D CA -0.490 53.721 54.000 0.352 0.000 0.952 47 D CB 0.768 41.767 40.800 0.333 0.000 1.317 47 D HN 0.116 nan 8.370 nan 0.000 0.577 48 I N 2.336 122.966 120.570 0.100 0.000 2.252 48 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 48 I C 2.414 178.396 176.117 -0.225 0.000 1.102 48 I CA 1.061 62.270 61.300 -0.152 0.000 1.385 48 I CB -0.016 37.845 38.000 -0.230 0.000 1.064 48 I HN 0.472 nan 8.210 nan 0.000 0.414 49 A N 1.127 123.880 122.820 -0.111 0.000 1.877 49 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 49 A C 2.505 180.010 177.584 -0.131 0.000 1.186 49 A CA 2.536 54.502 52.037 -0.117 0.000 0.620 49 A CB -0.938 18.002 19.000 -0.100 0.000 0.822 49 A HN 0.379 nan 8.150 nan 0.000 0.443 50 K N -0.235 120.106 120.400 -0.099 0.000 2.525 50 K HA 0.130 4.450 4.320 -0.000 0.000 0.192 50 K C 0.837 177.337 176.600 -0.167 0.000 1.029 50 K CA 0.996 57.233 56.287 -0.084 0.000 1.029 50 K CB -0.878 31.620 32.500 -0.002 0.000 0.814 50 K HN 0.603 nan 8.250 nan 0.000 0.503 51 K N 0.700 120.871 120.400 -0.382 0.000 3.156 51 K HA -0.157 4.163 4.320 -0.000 0.000 0.266 51 K C -0.071 176.362 176.600 -0.278 0.000 0.966 51 K CA 0.831 56.659 56.287 -0.766 0.000 0.719 51 K CB -2.082 30.103 32.500 -0.526 0.000 1.333 51 K HN 0.533 nan 8.250 nan 0.000 0.468 52 Q N 0.868 120.619 119.800 -0.082 0.000 2.294 52 Q HA 0.228 4.568 4.340 -0.000 0.000 0.257 52 Q C -2.283 173.891 176.000 0.290 0.000 0.955 52 Q CA -2.001 53.868 55.803 0.109 0.000 0.936 52 Q CB 0.919 29.718 28.738 0.101 0.000 1.188 52 Q HN 0.185 nan 8.270 nan 0.000 0.420 53 P HA 0.144 nan 4.420 nan 0.000 0.274 53 P C -0.303 177.128 177.300 0.219 0.000 1.231 53 P CA -0.207 63.071 63.100 0.298 0.000 0.790 53 P CB 0.750 32.560 31.700 0.184 0.000 0.951 54 V N 2.523 122.573 119.914 0.226 0.000 2.637 54 V HA 0.221 4.341 4.120 -0.000 0.000 0.296 54 V C 1.226 177.427 176.094 0.180 0.000 1.046 54 V CA 0.757 63.202 62.300 0.241 0.000 1.066 54 V CB 0.349 32.394 31.823 0.370 0.000 0.968 54 V HN 0.882 nan 8.190 nan 0.000 0.483 55 T N 1.317 115.963 114.554 0.153 0.000 2.831 55 T HA 0.350 4.700 4.350 -0.000 0.000 0.287 55 T C 0.472 175.218 174.700 0.076 0.000 1.070 55 T CA -0.735 61.415 62.100 0.083 0.000 1.010 55 T CB 1.617 70.506 68.868 0.034 0.000 1.264 55 T HN 0.420 nan 8.240 nan 0.000 0.532 56 Q N -0.382 119.403 119.800 -0.025 0.000 2.437 56 Q HA -0.061 4.279 4.340 -0.000 0.000 0.210 56 Q C 1.952 177.893 176.000 -0.098 0.000 0.972 56 Q CA 0.985 56.719 55.803 -0.114 0.000 0.903 56 Q CB -0.052 28.517 28.738 -0.282 0.000 0.967 56 Q HN 0.579 nan 8.270 nan 0.000 0.486 57 Q N -0.724 119.032 119.800 -0.073 0.000 2.319 57 Q HA 0.075 4.415 4.340 -0.000 0.000 0.202 57 Q C 0.346 176.329 176.000 -0.028 0.000 0.896 57 Q CA 0.153 55.884 55.803 -0.119 0.000 0.942 57 Q CB 0.787 29.435 28.738 -0.149 0.000 1.083 57 Q HN 0.345 nan 8.270 nan 0.000 0.510 58 T N 2.350 116.939 114.554 0.058 0.000 2.834 58 T HA 0.336 4.686 4.350 -0.000 0.000 0.298 58 T C -0.075 174.672 174.700 0.079 0.000 0.966 58 T CA -0.120 62.008 62.100 0.045 0.000 1.141 58 T CB 0.187 69.078 68.868 0.039 0.000 0.905 58 T HN 0.133 nan 8.240 nan 0.000 0.535 59 L N 4.252 125.475 121.223 -0.000 0.000 2.305 59 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 59 L C -0.380 176.475 176.870 -0.026 0.000 1.085 59 L CA 0.041 54.893 54.840 0.020 0.000 0.813 59 L CB 0.294 42.283 42.059 -0.117 0.000 1.157 59 L HN 0.533 nan 8.230 nan 0.000 0.436 60 F N 0.600 120.579 119.950 0.049 0.000 2.522 60 F HA 0.401 4.928 4.527 -0.000 0.000 0.324 60 F C 0.493 176.077 175.800 -0.361 0.000 1.077 60 F CA -0.920 57.081 58.000 0.001 0.000 0.944 60 F CB 1.286 40.425 39.000 0.231 0.000 1.175 60 F HN 0.399 nan 8.300 nan 0.000 0.468 61 E N 2.871 122.571 120.200 -0.833 0.000 2.299 61 E HA 0.108 4.458 4.350 -0.000 0.000 0.272 61 E C 0.517 177.039 176.600 -0.130 0.000 1.043 61 E CA 0.022 56.093 56.400 -0.548 0.000 0.895 61 E CB 0.691 29.936 29.700 -0.759 0.000 1.011 61 E HN 0.612 nan 8.360 nan 0.000 0.432 62 L N 2.955 124.174 121.223 -0.008 0.000 2.418 62 L HA 0.048 4.388 4.340 -0.000 0.000 0.218 62 L C 1.461 178.426 176.870 0.159 0.000 1.125 62 L CA 0.467 55.373 54.840 0.110 0.000 0.835 62 L CB -0.864 41.260 42.059 0.109 0.000 0.953 62 L HN 0.898 nan 8.230 nan 0.000 0.454 63 G N 0.506 109.401 108.800 0.158 0.000 2.596 63 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.295 63 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.295 63 G C 0.806 175.851 174.900 0.241 0.000 1.240 63 G CA 0.388 45.618 45.100 0.216 0.000 0.985 63 G HN 0.217 nan 8.290 nan 0.000 0.555 64 S N -0.018 115.825 115.700 0.239 0.000 2.547 64 S HA 0.074 4.544 4.470 -0.000 0.000 0.235 64 S C 2.346 177.073 174.600 0.213 0.000 0.980 64 S CA 1.144 59.499 58.200 0.259 0.000 0.941 64 S CB -0.035 63.356 63.200 0.319 0.000 0.763 64 S HN 0.730 nan 8.310 nan 0.000 0.532 65 V N 1.751 121.780 119.914 0.192 0.000 2.688 65 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 65 V C 2.170 178.379 176.094 0.192 0.000 1.084 65 V CA 1.544 63.940 62.300 0.159 0.000 1.103 65 V CB -0.874 31.070 31.823 0.201 0.000 0.688 65 V HN 0.467 nan 8.190 nan 0.000 0.480 66 S N -0.239 115.598 115.700 0.227 0.000 2.400 66 S HA -0.242 4.228 4.470 -0.000 0.000 0.232 66 S C 1.911 176.661 174.600 0.250 0.000 1.025 66 S CA 1.352 59.713 58.200 0.269 0.000 0.993 66 S CB -0.290 63.007 63.200 0.163 0.000 0.808 66 S HN 0.645 nan 8.310 nan 0.000 0.478 67 K N 0.904 121.410 120.400 0.176 0.000 2.211 67 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 67 K C 2.439 179.067 176.600 0.046 0.000 1.047 67 K CA 1.607 57.980 56.287 0.143 0.000 0.935 67 K CB -0.485 32.122 32.500 0.179 0.000 0.728 67 K HN 0.636 nan 8.250 nan 0.000 0.452 68 T N -1.343 113.142 114.554 -0.115 0.000 2.904 68 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 68 T C 1.739 176.432 174.700 -0.012 0.000 1.059 68 T CA 0.729 62.584 62.100 -0.408 0.000 1.137 68 T CB -0.348 67.847 68.868 -1.121 0.000 0.879 68 T HN 0.020 nan 8.240 nan 0.000 0.467 69 F N 2.177 122.165 119.950 0.063 0.000 2.146 69 F HA 0.042 4.569 4.527 0.000 0.000 0.298 69 F C 3.000 178.850 175.800 0.083 0.000 1.096 69 F CA 1.335 59.333 58.000 -0.002 0.000 1.275 69 F CB -1.082 37.799 39.000 -0.198 0.000 1.008 69 F HN 0.135 nan 8.300 nan 0.000 0.480 70 T N -0.641 114.098 114.554 0.309 0.000 2.821 70 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 70 T C 2.349 177.230 174.700 0.302 0.000 1.046 70 T CA 1.371 63.665 62.100 0.324 0.000 1.139 70 T CB -0.950 68.117 68.868 0.331 0.000 0.871 70 T HN 0.437 nan 8.240 nan 0.000 0.454 71 G N 0.828 109.774 108.800 0.242 0.000 2.402 71 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 71 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 71 G C 1.687 176.740 174.900 0.255 0.000 1.162 71 G CA 0.640 45.881 45.100 0.235 0.000 0.777 71 G HN 0.424 nan 8.290 nan 0.000 0.539 72 V N 0.571 120.643 119.914 0.263 0.000 2.427 72 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 72 V C 2.665 178.873 176.094 0.190 0.000 1.051 72 V CA 1.494 63.957 62.300 0.271 0.000 1.048 72 V CB -0.245 31.834 31.823 0.426 0.000 0.666 72 V HN 0.348 nan 8.190 nan 0.000 0.456 73 L N 1.231 122.541 121.223 0.145 0.000 2.083 73 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 73 L C 2.312 179.188 176.870 0.010 0.000 1.083 73 L CA 2.407 57.252 54.840 0.010 0.000 0.752 73 L CB -1.186 40.795 42.059 -0.129 0.000 0.899 73 L HN 0.267 nan 8.230 nan 0.000 0.433 74 G N -1.196 107.665 108.800 0.102 0.000 2.408 74 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 74 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 74 G C 1.519 176.513 174.900 0.157 0.000 1.150 74 G CA 0.521 45.691 45.100 0.116 0.000 0.776 74 G HN 0.582 nan 8.290 nan 0.000 0.542 75 G N 0.664 109.571 108.800 0.178 0.000 2.418 75 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 75 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 75 G C 1.442 176.394 174.900 0.086 0.000 1.158 75 G CA 1.368 46.553 45.100 0.142 0.000 0.771 75 G HN 0.515 nan 8.290 nan 0.000 0.545 76 D N 0.444 120.882 120.400 0.064 0.000 2.144 76 D HA 0.072 4.712 4.640 -0.000 0.000 0.200 76 D C 2.620 178.920 176.300 0.000 0.000 0.978 76 D CA 1.324 55.340 54.000 0.027 0.000 0.833 76 D CB -0.239 40.568 40.800 0.011 0.000 0.961 76 D HN 0.241 nan 8.370 nan 0.000 0.470 77 A N -0.055 122.754 122.820 -0.019 0.000 1.969 77 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 77 A C 2.267 179.841 177.584 -0.016 0.000 1.169 77 A CA 0.876 52.885 52.037 -0.046 0.000 0.635 77 A CB -0.656 18.279 19.000 -0.108 0.000 0.810 77 A HN 0.379 nan 8.150 nan 0.000 0.445 78 I N -0.253 120.328 120.570 0.018 0.000 2.202 78 I HA -0.239 3.930 4.170 -0.000 0.000 0.242 78 I C 2.949 179.087 176.117 0.035 0.000 1.091 78 I CA 1.022 62.346 61.300 0.040 0.000 1.368 78 I CB -0.349 37.696 38.000 0.074 0.000 1.058 78 I HN 0.323 nan 8.210 nan 0.000 0.410 79 A N 0.796 123.636 122.820 0.033 0.000 1.978 79 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 79 A C 2.317 179.910 177.584 0.014 0.000 1.170 79 A CA 1.521 53.574 52.037 0.025 0.000 0.636 79 A CB -0.605 18.410 19.000 0.024 0.000 0.810 79 A HN 0.347 nan 8.150 nan 0.000 0.448 80 R N -1.438 119.066 120.500 0.006 0.000 2.307 80 R HA 0.127 4.467 4.340 -0.000 0.000 0.199 80 R C 1.325 177.628 176.300 0.005 0.000 1.000 80 R CA 0.528 56.627 56.100 -0.001 0.000 1.023 80 R CB -0.245 30.045 30.300 -0.015 0.000 0.908 80 R HN 0.713 nan 8.270 nan 0.000 0.473 81 G N 1.082 109.891 108.800 0.015 0.000 2.153 81 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 81 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 81 G C 0.497 175.416 174.900 0.033 0.000 0.994 81 G CA 0.633 45.748 45.100 0.026 0.000 0.698 81 G HN 0.460 nan 8.290 nan 0.000 0.521 82 E N -0.676 119.536 120.200 0.020 0.000 2.170 82 E HA 0.246 4.596 4.350 -0.000 0.000 0.191 82 E C 1.522 178.156 176.600 0.057 0.000 0.981 82 E CA 1.107 57.522 56.400 0.024 0.000 0.830 82 E CB 0.208 29.896 29.700 -0.019 0.000 0.775 82 E HN 0.907 nan 8.360 nan 0.000 0.470 83 I N -2.471 118.111 120.570 0.021 0.000 2.969 83 I HA 0.491 4.661 4.170 -0.000 0.000 0.307 83 I C -1.379 174.786 176.117 0.080 0.000 1.149 83 I CA -1.230 60.080 61.300 0.017 0.000 1.008 83 I CB 2.320 40.151 38.000 -0.281 0.000 1.232 83 I HN -0.341 nan 8.210 nan 0.000 0.435 84 K N 3.196 123.690 120.400 0.156 0.000 2.371 84 K HA 0.505 4.825 4.320 -0.000 0.000 0.251 84 K C 0.067 176.749 176.600 0.137 0.000 0.934 84 K CA -0.785 55.581 56.287 0.132 0.000 0.798 84 K CB 2.936 35.518 32.500 0.136 0.000 1.204 84 K HN 0.618 nan 8.250 nan 0.000 0.427 85 L N 1.042 122.323 121.223 0.097 0.000 2.376 85 L HA -0.137 4.203 4.340 -0.000 0.000 0.219 85 L C 1.937 178.839 176.870 0.054 0.000 1.133 85 L CA 1.141 56.018 54.840 0.062 0.000 0.816 85 L CB -0.216 41.831 42.059 -0.020 0.000 0.933 85 L HN 0.713 nan 8.230 nan 0.000 0.449 86 S N -2.640 113.104 115.700 0.073 0.000 2.561 86 S HA 0.002 4.472 4.470 -0.000 0.000 0.225 86 S C 0.559 175.224 174.600 0.108 0.000 0.977 86 S CA -0.210 58.030 58.200 0.066 0.000 0.926 86 S CB -0.329 62.907 63.200 0.060 0.000 0.769 86 S HN 0.210 nan 8.310 nan 0.000 0.533 87 D N 4.053 124.557 120.400 0.173 0.000 2.302 87 D HA 0.326 4.966 4.640 -0.000 0.000 0.248 87 D C -2.434 174.005 176.300 0.231 0.000 1.094 87 D CA -1.721 52.404 54.000 0.209 0.000 0.897 87 D CB 0.964 41.968 40.800 0.339 0.000 1.200 87 D HN 0.172 nan 8.370 nan 0.000 0.429 88 P HA -0.023 nan 4.420 nan 0.000 0.267 88 P C 0.667 178.111 177.300 0.239 0.000 1.200 88 P CA -0.069 63.146 63.100 0.191 0.000 0.772 88 P CB 0.630 32.405 31.700 0.125 0.000 0.855 89 T N 1.298 116.027 114.554 0.292 0.000 2.759 89 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 89 T C 1.619 176.444 174.700 0.208 0.000 1.042 89 T CA 2.120 64.396 62.100 0.293 0.000 1.140 89 T CB -0.865 68.180 68.868 0.295 0.000 0.864 89 T HN 0.510 nan 8.240 nan 0.000 0.455 90 T N 1.448 116.075 114.554 0.122 0.000 2.929 90 T HA -0.046 4.304 4.350 -0.000 0.000 0.271 90 T C 1.835 176.532 174.700 -0.005 0.000 1.085 90 T CA 0.911 63.036 62.100 0.041 0.000 1.125 90 T CB -0.139 68.741 68.868 0.020 0.000 0.874 90 T HN 0.449 nan 8.240 nan 0.000 0.494 91 K N 0.373 120.711 120.400 -0.103 0.000 2.152 91 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 91 K C 1.055 177.393 176.600 -0.436 0.000 1.048 91 K CA 1.463 57.526 56.287 -0.373 0.000 0.933 91 K CB -0.096 31.989 32.500 -0.692 0.000 0.721 91 K HN 0.483 nan 8.250 nan 0.000 0.447 92 Y N -2.811 117.525 120.300 0.061 0.000 2.444 92 Y HA 0.141 4.691 4.550 -0.000 0.000 0.249 92 Y C 0.161 176.110 175.900 0.082 0.000 1.134 92 Y CA -0.778 57.342 58.100 0.034 0.000 1.261 92 Y CB 0.616 39.069 38.460 -0.011 0.000 1.143 92 Y HN 0.106 nan 8.280 nan 0.000 0.523 93 W N 3.948 125.246 121.300 -0.004 0.000 2.237 93 W HA 0.397 5.057 4.660 -0.000 0.000 0.289 93 W C -2.392 174.075 176.519 -0.088 0.000 0.988 93 W CA -3.570 53.734 57.345 -0.069 0.000 1.671 93 W CB 0.983 30.354 29.460 -0.149 0.000 1.746 93 W HN -0.139 nan 8.180 nan 0.000 0.380 94 P HA -0.167 nan 4.420 nan 0.000 0.219 94 P C 1.339 178.609 177.300 -0.049 0.000 1.146 94 P CA 2.636 65.758 63.100 0.035 0.000 0.808 94 P CB -0.017 31.706 31.700 0.038 0.000 0.779 95 E N -0.002 120.156 120.200 -0.069 0.000 2.409 95 E HA -0.090 4.260 4.350 -0.000 0.000 0.198 95 E C 1.223 177.553 176.600 -0.451 0.000 1.024 95 E CA 0.355 56.631 56.400 -0.207 0.000 0.861 95 E CB -1.150 28.481 29.700 -0.115 0.000 0.788 95 E HN 0.162 nan 8.360 nan 0.000 0.521 96 L N 2.467 123.286 121.223 -0.672 0.000 2.387 96 L HA 0.255 4.595 4.340 -0.000 0.000 0.267 96 L C 1.397 178.047 176.870 -0.367 0.000 1.197 96 L CA 0.935 55.319 54.840 -0.760 0.000 1.070 96 L CB 0.293 41.687 42.059 -1.109 0.000 1.349 96 L HN 0.190 nan 8.230 nan 0.000 0.422 97 T N -0.310 114.115 114.554 -0.215 0.000 3.040 97 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 97 T C 0.876 175.589 174.700 0.021 0.000 1.058 97 T CA 0.213 62.270 62.100 -0.071 0.000 0.988 97 T CB 0.059 68.891 68.868 -0.060 0.000 0.993 97 T HN 0.517 nan 8.240 nan 0.000 0.519 98 A N 2.636 125.495 122.820 0.066 0.000 2.483 98 A HA 0.345 4.665 4.320 -0.000 0.000 0.238 98 A C 1.614 179.321 177.584 0.205 0.000 1.070 98 A CA -0.223 51.901 52.037 0.145 0.000 0.770 98 A CB 0.325 19.444 19.000 0.199 0.000 1.008 98 A HN 0.613 nan 8.150 nan 0.000 0.497 99 K N 1.325 121.791 120.400 0.110 0.000 2.280 99 K HA -0.197 4.123 4.320 -0.000 0.000 0.202 99 K C 1.336 177.978 176.600 0.070 0.000 1.047 99 K CA 1.460 57.795 56.287 0.081 0.000 0.942 99 K CB -0.042 32.477 32.500 0.030 0.000 0.739 99 K HN 0.789 nan 8.250 nan 0.000 0.457 100 Q N 0.320 120.138 119.800 0.028 0.000 2.436 100 Q HA -0.137 4.203 4.340 -0.000 0.000 0.209 100 Q C 0.744 176.657 176.000 -0.145 0.000 0.965 100 Q CA 0.974 56.702 55.803 -0.125 0.000 0.910 100 Q CB -0.400 28.157 28.738 -0.302 0.000 0.980 100 Q HN 0.581 nan 8.270 nan 0.000 0.491 101 W N 1.590 122.946 121.300 0.093 0.000 3.003 101 W HA 0.180 4.839 4.660 -0.000 0.000 0.257 101 W C -0.012 176.571 176.519 0.107 0.000 1.308 101 W CA -0.562 56.861 57.345 0.130 0.000 1.529 101 W CB 0.082 29.601 29.460 0.098 0.000 1.115 101 W HN 0.046 nan 8.180 nan 0.000 0.659 102 N N 0.413 119.251 118.700 0.231 0.000 2.452 102 N HA 0.330 5.070 4.740 -0.000 0.000 0.266 102 N C 0.981 176.582 175.510 0.151 0.000 1.209 102 N CA 1.795 54.947 53.050 0.170 0.000 0.929 102 N CB 0.638 39.191 38.487 0.110 0.000 1.063 102 N HN 0.174 nan 8.380 nan 0.000 0.472 103 G N 1.905 110.816 108.800 0.184 0.000 2.195 103 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.224 103 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.224 103 G C 0.073 175.149 174.900 0.293 0.000 0.990 103 G CA -0.495 44.723 45.100 0.198 0.000 0.639 103 G HN 0.507 nan 8.290 nan 0.000 0.514 104 I N 3.115 123.879 120.570 0.323 0.000 2.304 104 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 104 I C 1.098 177.516 176.117 0.501 0.000 1.018 104 I CA 0.093 61.666 61.300 0.455 0.000 1.260 104 I CB 1.212 39.420 38.000 0.347 0.000 1.390 104 I HN 0.302 nan 8.210 nan 0.000 0.475 105 T N 2.931 117.804 114.554 0.532 0.000 2.937 105 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 105 T C 1.215 176.038 174.700 0.205 0.000 1.012 105 T CA -0.880 61.365 62.100 0.241 0.000 0.997 105 T CB 1.480 70.362 68.868 0.023 0.000 1.136 105 T HN 0.407 nan 8.240 nan 0.000 0.551 106 L N 0.278 121.617 121.223 0.193 0.000 2.131 106 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 106 L C 2.553 179.433 176.870 0.016 0.000 1.092 106 L CA 0.931 55.898 54.840 0.211 0.000 0.759 106 L CB -0.798 41.423 42.059 0.270 0.000 0.903 106 L HN 0.604 nan 8.230 nan 0.000 0.435 107 L N -0.290 120.879 121.223 -0.091 0.000 2.012 107 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 107 L C 2.405 179.221 176.870 -0.090 0.000 1.073 107 L CA 1.974 56.691 54.840 -0.206 0.000 0.748 107 L CB -0.615 41.327 42.059 -0.195 0.000 0.891 107 L HN 0.238 nan 8.230 nan 0.000 0.431 108 H N -1.117 118.020 119.070 0.112 0.000 2.353 108 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 108 H C 2.229 177.565 175.328 0.013 0.000 1.090 108 H CA 1.655 57.764 56.048 0.102 0.000 1.327 108 H CB -0.169 29.677 29.762 0.139 0.000 1.383 108 H HN 0.320 nan 8.280 nan 0.000 0.508 109 L N 0.205 121.520 121.223 0.153 0.000 2.017 109 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 109 L C 2.871 179.663 176.870 -0.130 0.000 1.073 109 L CA 0.890 55.782 54.840 0.086 0.000 0.745 109 L CB -0.575 41.602 42.059 0.198 0.000 0.894 109 L HN 0.350 nan 8.230 nan 0.000 0.432 110 A N -0.121 122.443 122.820 -0.427 0.000 1.978 110 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 110 A C 2.127 179.291 177.584 -0.700 0.000 1.170 110 A CA 2.227 53.762 52.037 -0.837 0.000 0.636 110 A CB -0.733 17.401 19.000 -1.443 0.000 0.810 110 A HN 0.548 nan 8.150 nan 0.000 0.448 111 T N -6.810 107.448 114.554 -0.494 0.000 3.129 111 T HA 0.334 4.684 4.350 -0.000 0.000 0.267 111 T C 0.202 174.690 174.700 -0.354 0.000 1.018 111 T CA 0.239 62.079 62.100 -0.433 0.000 0.903 111 T CB -0.386 68.529 68.868 0.078 0.000 1.067 111 T HN 0.676 nan 8.240 nan 0.000 0.549 112 Y N 0.989 121.279 120.300 -0.017 0.000 4.272 112 Y HA -0.246 4.304 4.550 0.000 0.000 0.232 112 Y C 1.190 177.057 175.900 -0.055 0.000 1.149 112 Y CA 0.466 58.555 58.100 -0.019 0.000 1.961 112 Y CB -3.142 35.320 38.460 0.004 0.000 1.611 112 Y HN 0.604 nan 8.280 nan 0.000 0.682 113 T N -4.436 110.119 114.554 0.002 0.000 3.215 113 T HA 0.682 5.032 4.350 -0.000 0.000 0.271 113 T C 1.461 176.125 174.700 -0.060 0.000 1.012 113 T CA 0.197 62.214 62.100 -0.139 0.000 0.899 113 T CB 0.565 69.112 68.868 -0.535 0.000 1.089 113 T HN 0.488 nan 8.240 nan 0.000 0.552 114 A N 1.327 124.177 122.820 0.049 0.000 2.119 114 A HA 0.565 4.885 4.320 -0.000 0.000 0.217 114 A C 1.872 179.515 177.584 0.099 0.000 1.153 114 A CA 0.598 52.647 52.037 0.020 0.000 0.692 114 A CB -0.807 18.205 19.000 0.021 0.000 0.799 114 A HN 1.470 nan 8.150 nan 0.000 0.458 115 G N -3.048 105.886 108.800 0.222 0.000 2.247 115 G HA2 0.399 4.359 3.960 -0.000 0.000 0.111 115 G HA3 0.399 4.359 3.960 -0.000 0.000 0.111 115 G C 0.983 176.193 174.900 0.517 0.000 1.045 115 G CA 0.347 45.680 45.100 0.389 0.000 0.715 115 G HN 1.981 nan 8.290 nan 0.000 0.485 116 G N -0.949 108.179 108.800 0.547 0.000 2.135 116 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.183 116 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.183 116 G C 0.463 175.631 174.900 0.445 0.000 1.004 116 G CA -0.019 45.342 45.100 0.435 0.000 0.677 116 G HN 1.280 nan 8.290 nan 0.000 0.512 117 L N 1.911 123.254 121.223 0.201 0.000 2.525 117 L HA 0.243 4.583 4.340 -0.000 0.000 0.278 117 L C -0.898 176.042 176.870 0.116 0.000 1.218 117 L CA -1.098 53.668 54.840 -0.124 0.000 0.878 117 L CB 0.355 42.260 42.059 -0.255 0.000 1.127 117 L HN 0.105 nan 8.230 nan 0.000 0.492 118 P HA 0.013 nan 4.420 nan 0.000 0.276 118 P C 0.514 177.888 177.300 0.124 0.000 1.244 118 P CA -0.629 62.578 63.100 0.178 0.000 0.801 118 P CB 1.216 33.051 31.700 0.224 0.000 1.006 119 L N 0.690 121.975 121.223 0.103 0.000 2.021 119 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 119 L C 0.825 177.725 176.870 0.051 0.000 1.074 119 L CA 2.116 56.998 54.840 0.069 0.000 0.760 119 L CB -0.683 41.428 42.059 0.086 0.000 0.889 119 L HN 0.369 nan 8.230 nan 0.000 0.433 120 Q N -0.523 119.304 119.800 0.045 0.000 2.345 120 Q HA 0.401 4.741 4.340 -0.000 0.000 0.268 120 Q C -0.751 175.222 176.000 -0.046 0.000 1.054 120 Q CA -0.863 54.947 55.803 0.012 0.000 0.835 120 Q CB 1.938 30.672 28.738 -0.006 0.000 1.339 120 Q HN -0.041 nan 8.270 nan 0.000 0.447 121 V N 3.356 123.202 119.914 -0.113 0.000 2.637 121 V HA 0.116 4.236 4.120 -0.000 0.000 0.296 121 V C -1.934 173.969 176.094 -0.318 0.000 1.046 121 V CA -1.092 60.973 62.300 -0.391 0.000 1.066 121 V CB 0.249 31.862 31.823 -0.350 0.000 0.968 121 V HN 0.609 nan 8.190 nan 0.000 0.483 122 P HA -0.009 nan 4.420 nan 0.000 0.265 122 P C 0.545 177.754 177.300 -0.150 0.000 1.187 122 P CA 0.176 63.151 63.100 -0.208 0.000 0.766 122 P CB 0.460 32.049 31.700 -0.184 0.000 0.820 123 D N 1.695 122.051 120.400 -0.074 0.000 2.218 123 D HA -0.173 4.467 4.640 -0.000 0.000 0.204 123 D C 1.085 177.363 176.300 -0.037 0.000 0.976 123 D CA 1.377 55.352 54.000 -0.042 0.000 0.853 123 D CB 0.061 40.852 40.800 -0.015 0.000 0.939 123 D HN 0.347 nan 8.370 nan 0.000 0.481 124 E N -0.707 119.469 120.200 -0.040 0.000 2.427 124 E HA 0.053 4.403 4.350 -0.000 0.000 0.196 124 E C 0.062 176.645 176.600 -0.029 0.000 1.028 124 E CA 0.048 56.435 56.400 -0.022 0.000 0.864 124 E CB 0.358 30.052 29.700 -0.009 0.000 0.813 124 E HN 0.098 nan 8.360 nan 0.000 0.514 125 V N 1.017 120.891 119.914 -0.067 0.000 2.439 125 V HA 0.275 4.395 4.120 -0.000 0.000 0.271 125 V C 1.009 177.080 176.094 -0.038 0.000 1.040 125 V CA 0.970 63.230 62.300 -0.067 0.000 1.002 125 V CB 0.645 32.364 31.823 -0.175 0.000 1.000 125 V HN 0.290 nan 8.190 nan 0.000 0.477 126 K N 3.555 123.952 120.400 -0.006 0.000 2.410 126 K HA 0.319 4.639 4.320 -0.000 0.000 0.204 126 K C 1.115 177.723 176.600 0.014 0.000 1.268 126 K CA 0.705 56.993 56.287 0.001 0.000 0.896 126 K CB -0.086 32.417 32.500 0.006 0.000 1.401 126 K HN 0.744 nan 8.250 nan 0.000 0.479 127 S N 0.351 116.068 115.700 0.029 0.000 2.645 127 S HA 0.293 4.763 4.470 -0.000 0.000 0.266 127 S C 1.194 175.832 174.600 0.064 0.000 1.258 127 S CA 0.182 58.404 58.200 0.038 0.000 0.990 127 S CB 1.634 64.858 63.200 0.041 0.000 0.967 127 S HN 0.294 nan 8.310 nan 0.000 0.556 128 S N 1.187 116.924 115.700 0.062 0.000 2.383 128 S HA -0.100 4.370 4.470 -0.000 0.000 0.229 128 S C 2.116 176.815 174.600 0.165 0.000 1.030 128 S CA 1.540 59.799 58.200 0.098 0.000 1.002 128 S CB -0.686 62.553 63.200 0.066 0.000 0.829 128 S HN 0.730 nan 8.310 nan 0.000 0.467 129 S N 1.552 117.325 115.700 0.122 0.000 2.368 129 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 129 S C 1.541 176.223 174.600 0.135 0.000 1.029 129 S CA 1.137 59.411 58.200 0.123 0.000 0.988 129 S CB -0.440 62.809 63.200 0.082 0.000 0.838 129 S HN 0.469 nan 8.310 nan 0.000 0.462 130 D N 1.483 121.953 120.400 0.117 0.000 2.117 130 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 130 D C 1.899 178.307 176.300 0.179 0.000 0.987 130 D CA 0.723 54.792 54.000 0.115 0.000 0.829 130 D CB -0.361 40.480 40.800 0.069 0.000 0.961 130 D HN 0.285 nan 8.370 nan 0.000 0.460 131 L N 0.158 121.515 121.223 0.224 0.000 2.056 131 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 131 L C 2.380 179.577 176.870 0.545 0.000 1.078 131 L CA 0.438 55.501 54.840 0.372 0.000 0.749 131 L CB -0.218 42.073 42.059 0.386 0.000 0.901 131 L HN 0.079 nan 8.230 nan 0.000 0.433 132 L N -0.025 121.476 121.223 0.464 0.000 2.046 132 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 132 L C 2.635 179.578 176.870 0.121 0.000 1.077 132 L CA 1.725 56.715 54.840 0.250 0.000 0.747 132 L CB -0.532 41.630 42.059 0.172 0.000 0.896 132 L HN 0.072 nan 8.230 nan 0.000 0.432 133 R N -1.529 119.061 120.500 0.151 0.000 2.091 133 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 133 R C 2.282 178.676 176.300 0.157 0.000 1.136 133 R CA 2.029 58.201 56.100 0.119 0.000 0.959 133 R CB -0.596 29.774 30.300 0.117 0.000 0.856 133 R HN 0.489 nan 8.270 nan 0.000 0.437 134 F N -0.024 119.954 119.950 0.046 0.000 2.069 134 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 134 F C 1.472 177.301 175.800 0.048 0.000 1.113 134 F CA 1.567 59.557 58.000 -0.016 0.000 1.214 134 F CB -0.572 38.334 39.000 -0.156 0.000 0.978 134 F HN 0.016 nan 8.300 nan 0.000 0.474 135 Y N 0.515 120.807 120.300 -0.014 0.000 2.242 135 Y HA -0.166 4.384 4.550 0.000 0.000 0.291 135 Y C 2.633 178.660 175.900 0.212 0.000 1.137 135 Y CA 1.488 59.589 58.100 0.001 0.000 1.181 135 Y CB -0.969 37.476 38.460 -0.025 0.000 0.989 135 Y HN 0.133 nan 8.280 nan 0.000 0.527 136 Q N -0.021 119.872 119.800 0.155 0.000 2.226 136 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 136 Q C 1.262 177.368 176.000 0.176 0.000 0.975 136 Q CA 1.093 56.978 55.803 0.137 0.000 0.866 136 Q CB -0.259 28.476 28.738 -0.006 0.000 0.915 136 Q HN 0.523 nan 8.270 nan 0.000 0.440 137 N N -0.856 117.916 118.700 0.119 0.000 2.392 137 N HA -0.042 4.698 4.740 -0.000 0.000 0.177 137 N C -0.033 175.501 175.510 0.041 0.000 1.066 137 N CA -0.057 53.031 53.050 0.062 0.000 0.895 137 N CB 0.024 38.540 38.487 0.049 0.000 0.988 137 N HN 0.221 nan 8.380 nan 0.000 0.457 138 W N 3.120 124.330 121.300 -0.150 0.000 2.251 138 W HA 0.112 4.772 4.660 -0.000 0.000 0.327 138 W C -0.428 175.987 176.519 -0.174 0.000 1.361 138 W CA 0.112 57.323 57.345 -0.223 0.000 1.234 138 W CB 0.563 29.823 29.460 -0.333 0.000 1.212 138 W HN -0.121 nan 8.180 nan 0.000 0.557 139 Q N 8.169 127.360 119.800 -1.015 0.000 2.331 139 Q HA 0.364 4.704 4.340 -0.000 0.000 0.267 139 Q C -2.104 172.990 176.000 -1.511 0.000 1.006 139 Q CA -2.046 53.128 55.803 -1.048 0.000 0.818 139 Q CB 1.544 29.958 28.738 -0.539 0.000 1.276 139 Q HN 0.390 nan 8.270 nan 0.000 0.450 140 P HA 0.172 nan 4.420 nan 0.000 0.277 140 P C -0.259 176.636 177.300 -0.675 0.000 1.240 140 P CA -0.083 62.329 63.100 -1.147 0.000 0.798 140 P CB 1.033 32.265 31.700 -0.779 0.000 0.979 141 A N 2.080 124.512 122.820 -0.647 0.000 2.021 141 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 141 A C 0.400 177.320 177.584 -1.106 0.000 1.163 141 A CA 0.742 52.156 52.037 -1.039 0.000 0.676 141 A CB -0.277 17.687 19.000 -1.726 0.000 0.818 141 A HN 0.584 nan 8.150 nan 0.000 0.453 142 W N -2.981 118.270 121.300 -0.082 0.000 3.042 142 W HA 0.633 5.293 4.660 -0.000 0.000 0.342 142 W C -0.012 176.451 176.519 -0.094 0.000 1.240 142 W CA -1.216 56.084 57.345 -0.075 0.000 1.166 142 W CB 0.922 30.352 29.460 -0.051 0.000 1.469 142 W HN 0.128 nan 8.180 nan 0.000 0.579 143 A N 2.243 125.156 122.820 0.154 0.000 2.406 143 A HA 0.562 4.882 4.320 -0.000 0.000 0.243 143 A C -2.241 175.350 177.584 0.011 0.000 1.082 143 A CA -0.799 51.264 52.037 0.043 0.000 0.786 143 A CB -0.762 18.260 19.000 0.035 0.000 1.029 143 A HN 0.136 nan 8.150 nan 0.000 0.495 144 P HA 0.305 nan 4.420 nan 0.000 0.269 144 P C 0.734 177.890 177.300 -0.240 0.000 1.209 144 P CA 1.577 64.496 63.100 -0.300 0.000 0.776 144 P CB 0.553 31.980 31.700 -0.454 0.000 0.876 145 G N 1.552 110.165 108.800 -0.311 0.000 2.176 145 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 145 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 145 G C 0.617 175.458 174.900 -0.098 0.000 1.024 145 G CA 0.688 45.759 45.100 -0.049 0.000 0.755 145 G HN 0.697 nan 8.290 nan 0.000 0.507 146 T N -5.116 109.333 114.554 -0.175 0.000 3.028 146 T HA 0.433 4.783 4.350 -0.000 0.000 0.250 146 T C 0.537 175.077 174.700 -0.266 0.000 0.979 146 T CA 0.796 62.814 62.100 -0.137 0.000 1.004 146 T CB 0.650 69.483 68.868 -0.057 0.000 1.120 146 T HN 0.305 nan 8.240 nan 0.000 0.482 147 Q N 0.879 120.473 119.800 -0.343 0.000 2.372 147 Q HA 0.484 4.824 4.340 -0.000 0.000 0.273 147 Q C -1.381 174.412 176.000 -0.344 0.000 1.078 147 Q CA -0.542 54.979 55.803 -0.471 0.000 0.806 147 Q CB 3.151 31.301 28.738 -0.981 0.000 1.332 147 Q HN 0.360 nan 8.270 nan 0.000 0.435 148 R N 2.080 122.411 120.500 -0.283 0.000 2.229 148 R HA 0.512 4.851 4.340 -0.000 0.000 0.328 148 R C -1.180 175.095 176.300 -0.042 0.000 1.009 148 R CA -0.531 55.497 56.100 -0.121 0.000 0.864 148 R CB 0.435 30.701 30.300 -0.057 0.000 1.085 148 R HN 0.468 nan 8.270 nan 0.000 0.453 149 L N 6.069 127.340 121.223 0.080 0.000 2.427 149 L HA 0.262 4.602 4.340 -0.000 0.000 0.264 149 L C -1.348 175.565 176.870 0.073 0.000 0.989 149 L CA -0.708 54.205 54.840 0.122 0.000 0.865 149 L CB 0.980 43.203 42.059 0.274 0.000 1.209 149 L HN 0.604 nan 8.230 nan 0.000 0.430 150 Y N 4.827 124.999 120.300 -0.213 0.000 2.805 150 Y HA 0.359 4.909 4.550 -0.000 0.000 0.331 150 Y C 0.044 175.754 175.900 -0.316 0.000 1.241 150 Y CA 0.950 58.687 58.100 -0.605 0.000 1.546 150 Y CB 0.428 38.606 38.460 -0.470 0.000 1.248 150 Y HN 0.810 nan 8.280 nan 0.000 0.559 151 A N 5.736 128.112 122.820 -0.740 0.000 2.491 151 A HA 0.283 4.603 4.320 -0.000 0.000 0.293 151 A C -0.127 177.356 177.584 -0.169 0.000 1.047 151 A CA -0.898 50.994 52.037 -0.242 0.000 0.735 151 A CB 0.820 19.832 19.000 0.021 0.000 1.281 151 A HN 0.794 nan 8.150 nan 0.000 0.398 152 N N 1.141 119.789 118.700 -0.087 0.000 2.244 152 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 152 N C 1.999 177.575 175.510 0.110 0.000 1.016 152 N CA 1.889 54.963 53.050 0.041 0.000 0.866 152 N CB -0.058 38.507 38.487 0.130 0.000 0.980 152 N HN 0.845 nan 8.380 nan 0.000 0.430 153 S N -0.919 114.863 115.700 0.137 0.000 2.481 153 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 153 S C 2.032 176.809 174.600 0.294 0.000 0.996 153 S CA 0.888 59.241 58.200 0.255 0.000 0.942 153 S CB 0.013 63.384 63.200 0.285 0.000 0.768 153 S HN 0.173 nan 8.310 nan 0.000 0.520 154 S N 1.151 116.970 115.700 0.200 0.000 2.324 154 S HA 0.257 4.727 4.470 -0.000 0.000 0.210 154 S C 1.635 176.329 174.600 0.156 0.000 1.027 154 S CA 0.512 58.821 58.200 0.182 0.000 0.945 154 S CB -0.539 62.789 63.200 0.212 0.000 0.908 154 S HN 0.573 nan 8.310 nan 0.000 0.496 155 I N 1.192 121.854 120.570 0.153 0.000 2.546 155 I HA 0.032 4.202 4.170 -0.000 0.000 0.255 155 I C 2.117 178.315 176.117 0.135 0.000 1.163 155 I CA 1.077 62.449 61.300 0.119 0.000 1.457 155 I CB -0.620 37.424 38.000 0.074 0.000 1.092 155 I HN 0.476 nan 8.210 nan 0.000 0.434 156 G N 1.172 110.020 108.800 0.079 0.000 2.440 156 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 156 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 156 G C 1.538 176.400 174.900 -0.063 0.000 1.154 156 G CA 0.957 46.041 45.100 -0.027 0.000 0.767 156 G HN 0.387 nan 8.290 nan 0.000 0.552 157 L N -0.278 120.957 121.223 0.019 0.000 2.056 157 L HA 0.133 4.473 4.340 -0.000 0.000 0.207 157 L C 2.432 179.262 176.870 -0.066 0.000 1.078 157 L CA 1.475 56.266 54.840 -0.080 0.000 0.749 157 L CB -0.763 41.206 42.059 -0.150 0.000 0.901 157 L HN 0.228 nan 8.230 nan 0.000 0.433 158 F N 0.491 120.383 119.950 -0.097 0.000 2.087 158 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 158 F C 2.183 177.922 175.800 -0.102 0.000 1.100 158 F CA 1.981 59.925 58.000 -0.094 0.000 1.226 158 F CB -1.074 37.881 39.000 -0.076 0.000 0.983 158 F HN 0.130 nan 8.300 nan 0.000 0.479 159 G N -0.517 108.163 108.800 -0.199 0.000 2.418 159 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 159 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 159 G C 1.817 176.565 174.900 -0.253 0.000 1.158 159 G CA 0.954 45.912 45.100 -0.236 0.000 0.771 159 G HN 0.675 nan 8.290 nan 0.000 0.545 160 A N 0.429 123.046 122.820 -0.338 0.000 1.933 160 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 160 A C 2.411 179.820 177.584 -0.293 0.000 1.175 160 A CA 1.238 53.093 52.037 -0.304 0.000 0.628 160 A CB -0.316 18.469 19.000 -0.358 0.000 0.814 160 A HN 0.363 nan 8.150 nan 0.000 0.444 161 L N -1.125 119.894 121.223 -0.339 0.000 2.179 161 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 161 L C 2.968 179.593 176.870 -0.408 0.000 1.096 161 L CA 0.729 55.377 54.840 -0.319 0.000 0.779 161 L CB -0.542 41.381 42.059 -0.227 0.000 0.922 161 L HN 0.399 nan 8.230 nan 0.000 0.443 162 A N 0.456 122.946 122.820 -0.550 0.000 1.972 162 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 162 A C 2.149 179.517 177.584 -0.360 0.000 1.169 162 A CA 1.863 53.541 52.037 -0.600 0.000 0.635 162 A CB -0.679 17.802 19.000 -0.864 0.000 0.810 162 A HN 0.345 nan 8.150 nan 0.000 0.446 163 V N -4.106 115.658 119.914 -0.248 0.000 3.608 163 V HA 0.079 4.199 4.120 -0.000 0.000 0.269 163 V C 1.685 177.699 176.094 -0.135 0.000 1.245 163 V CA 0.867 63.066 62.300 -0.170 0.000 1.138 163 V CB -0.390 31.363 31.823 -0.118 0.000 0.841 163 V HN 0.194 nan 8.190 nan 0.000 0.451 164 K N 1.608 121.924 120.400 -0.140 0.000 2.032 164 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 164 K C 0.242 176.823 176.600 -0.033 0.000 1.048 164 K CA 1.961 58.201 56.287 -0.079 0.000 0.927 164 K CB -1.932 30.538 32.500 -0.050 0.000 0.712 164 K HN 0.463 nan 8.250 nan 0.000 0.441 165 P HA -0.106 nan 4.420 nan 0.000 0.218 165 P C 1.392 178.681 177.300 -0.019 0.000 1.148 165 P CA 1.491 64.601 63.100 0.017 0.000 0.822 165 P CB -0.068 31.657 31.700 0.041 0.000 0.784 166 S N -1.502 114.168 115.700 -0.050 0.000 2.481 166 S HA 0.059 4.529 4.470 -0.000 0.000 0.231 166 S C 1.902 176.470 174.600 -0.053 0.000 0.996 166 S CA 0.907 59.073 58.200 -0.058 0.000 0.942 166 S CB -1.538 61.610 63.200 -0.086 0.000 0.768 166 S HN 0.288 nan 8.310 nan 0.000 0.520 167 G N 0.786 109.556 108.800 -0.050 0.000 2.196 167 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.268 167 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.268 167 G C 0.021 174.888 174.900 -0.056 0.000 0.975 167 G CA 0.723 45.795 45.100 -0.046 0.000 0.648 167 G HN 0.594 nan 8.290 nan 0.000 0.538 168 L N 1.427 122.606 121.223 -0.073 0.000 2.399 168 L HA 0.549 4.889 4.340 -0.000 0.000 0.266 168 L C 1.522 178.344 176.870 -0.080 0.000 1.114 168 L CA -0.229 54.561 54.840 -0.083 0.000 0.804 168 L CB 1.220 43.212 42.059 -0.111 0.000 1.146 168 L HN 0.384 nan 8.230 nan 0.000 0.451 169 S N 0.544 116.202 115.700 -0.069 0.000 2.589 169 S HA 0.017 4.487 4.470 -0.000 0.000 0.265 169 S C 0.857 175.427 174.600 -0.051 0.000 1.342 169 S CA -0.338 57.835 58.200 -0.044 0.000 1.005 169 S CB 0.406 63.587 63.200 -0.031 0.000 0.909 169 S HN 0.547 nan 8.310 nan 0.000 0.555 170 F N 1.141 121.000 119.950 -0.152 0.000 2.126 170 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 170 F C 2.500 178.186 175.800 -0.190 0.000 1.096 170 F CA 2.239 60.133 58.000 -0.178 0.000 1.255 170 F CB -0.409 38.484 39.000 -0.177 0.000 0.997 170 F HN 0.941 nan 8.300 nan 0.000 0.479 171 E N -0.578 119.584 120.200 -0.062 0.000 2.051 171 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 171 E C 2.176 178.624 176.600 -0.253 0.000 0.991 171 E CA 1.260 57.569 56.400 -0.152 0.000 0.799 171 E CB -0.112 29.581 29.700 -0.011 0.000 0.748 171 E HN 0.375 nan 8.360 nan 0.000 0.449 172 Q N -0.010 119.681 119.800 -0.181 0.000 2.119 172 Q HA -0.099 4.240 4.340 -0.000 0.000 0.201 172 Q C 2.074 177.919 176.000 -0.258 0.000 0.972 172 Q CA 1.345 57.040 55.803 -0.180 0.000 0.847 172 Q CB -0.373 28.296 28.738 -0.114 0.000 0.903 172 Q HN 0.386 nan 8.270 nan 0.000 0.433 173 A N 0.589 123.223 122.820 -0.310 0.000 1.877 173 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 173 A C 2.157 179.453 177.584 -0.480 0.000 1.186 173 A CA 1.868 53.693 52.037 -0.352 0.000 0.620 173 A CB -0.493 18.290 19.000 -0.363 0.000 0.822 173 A HN 0.344 nan 8.150 nan 0.000 0.443 174 M N -0.201 118.976 119.600 -0.706 0.000 2.117 174 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 174 M C 2.157 177.862 176.300 -0.991 0.000 1.065 174 M CA 1.980 56.724 55.300 -0.927 0.000 1.114 174 M CB -0.555 31.336 32.600 -1.182 0.000 1.361 174 M HN 0.532 nan 8.290 nan 0.000 0.408 175 Q N -1.139 118.216 119.800 -0.743 0.000 2.050 175 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 175 Q C 1.944 177.764 176.000 -0.300 0.000 0.980 175 Q CA 2.355 57.869 55.803 -0.482 0.000 0.840 175 Q CB -0.396 28.174 28.738 -0.281 0.000 0.898 175 Q HN 0.773 nan 8.270 nan 0.000 0.424 176 T N -2.119 112.279 114.554 -0.260 0.000 3.014 176 T HA 0.044 4.394 4.350 -0.000 0.000 0.263 176 T C 1.675 176.286 174.700 -0.148 0.000 1.078 176 T CA 0.435 62.434 62.100 -0.167 0.000 1.135 176 T CB 0.072 68.858 68.868 -0.137 0.000 0.895 176 T HN 0.124 nan 8.240 nan 0.000 0.480 177 R N -0.118 120.265 120.500 -0.195 0.000 2.254 177 R HA 0.386 4.726 4.340 -0.000 0.000 0.193 177 R C 1.571 177.814 176.300 -0.095 0.000 0.929 177 R CA 0.238 56.256 56.100 -0.137 0.000 1.038 177 R CB 0.452 30.659 30.300 -0.155 0.000 1.009 177 R HN 0.286 nan 8.270 nan 0.000 0.512 178 V N -0.935 118.891 119.914 -0.146 0.000 3.054 178 V HA 0.032 4.152 4.120 -0.000 0.000 0.227 178 V C 1.389 177.565 176.094 0.137 0.000 1.252 178 V CA 0.509 62.812 62.300 0.005 0.000 1.279 178 V CB -0.274 31.538 31.823 -0.018 0.000 1.118 178 V HN -0.013 nan 8.190 nan 0.000 0.504 179 F N 1.542 121.425 119.950 -0.111 0.000 2.102 179 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 179 F C 2.607 178.329 175.800 -0.130 0.000 1.105 179 F CA 1.404 59.305 58.000 -0.165 0.000 1.239 179 F CB -1.180 37.611 39.000 -0.347 0.000 0.991 179 F HN 0.203 nan 8.300 nan 0.000 0.474 180 Q N -0.243 119.586 119.800 0.049 0.000 2.046 180 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 180 Q C -0.351 175.652 176.000 0.006 0.000 0.975 180 Q CA 1.647 57.442 55.803 -0.014 0.000 0.836 180 Q CB -1.511 27.194 28.738 -0.056 0.000 0.896 180 Q HN 0.272 nan 8.270 nan 0.000 0.428 181 P HA -0.144 nan 4.420 nan 0.000 0.219 181 P C 0.650 177.979 177.300 0.049 0.000 1.146 181 P CA 1.194 64.309 63.100 0.024 0.000 0.808 181 P CB 0.056 31.771 31.700 0.025 0.000 0.779 182 L N -1.420 119.858 121.223 0.092 0.000 2.592 182 L HA 0.161 4.501 4.340 -0.000 0.000 0.227 182 L C 0.397 177.317 176.870 0.084 0.000 1.127 182 L CA 0.080 54.990 54.840 0.117 0.000 0.884 182 L CB -0.629 41.568 42.059 0.231 0.000 1.065 182 L HN -0.052 nan 8.230 nan 0.000 0.457 183 K N 0.766 121.192 120.400 0.042 0.000 3.117 183 K HA -0.167 4.153 4.320 -0.000 0.000 0.269 183 K C -0.269 176.327 176.600 -0.007 0.000 1.098 183 K CA 0.382 56.672 56.287 0.006 0.000 0.785 183 K CB -1.839 30.669 32.500 0.014 0.000 1.242 183 K HN 0.327 nan 8.250 nan 0.000 0.491 184 L N 1.386 122.592 121.223 -0.028 0.000 2.387 184 L HA 0.121 4.461 4.340 -0.000 0.000 0.267 184 L C 0.977 177.689 176.870 -0.264 0.000 1.197 184 L CA -0.428 54.343 54.840 -0.114 0.000 1.070 184 L CB 0.090 42.046 42.059 -0.171 0.000 1.349 184 L HN 0.154 nan 8.230 nan 0.000 0.422 185 N N 0.331 118.899 118.700 -0.219 0.000 2.398 185 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 185 N C 0.602 175.691 175.510 -0.701 0.000 1.122 185 N CA 0.551 53.355 53.050 -0.409 0.000 0.866 185 N CB 0.263 38.539 38.487 -0.351 0.000 0.970 185 N HN 0.500 nan 8.380 nan 0.000 0.462 186 H N -1.069 117.897 119.070 -0.173 0.000 2.651 186 H HA 0.266 4.822 4.556 -0.000 0.000 0.241 186 H C -0.389 174.825 175.328 -0.190 0.000 1.225 186 H CA -0.098 55.914 56.048 -0.060 0.000 0.942 186 H CB 0.393 30.153 29.762 -0.004 0.000 1.996 186 H HN -0.139 nan 8.280 nan 0.000 0.600 187 T N 0.962 115.188 114.554 -0.546 0.000 2.792 187 T HA 0.345 4.695 4.350 -0.000 0.000 0.280 187 T C -0.735 173.270 174.700 -1.159 0.000 0.990 187 T CA -0.418 61.179 62.100 -0.837 0.000 0.960 187 T CB 1.395 69.523 68.868 -1.234 0.000 0.939 187 T HN 0.236 nan 8.240 nan 0.000 0.439 188 W N 1.837 122.826 121.300 -0.519 0.000 3.127 188 W HA 0.527 5.187 4.660 0.000 0.000 0.330 188 W C 0.578 176.975 176.519 -0.204 0.000 1.187 188 W CA -0.804 56.380 57.345 -0.268 0.000 1.198 188 W CB 1.124 30.431 29.460 -0.255 0.000 1.408 188 W HN 0.504 nan 8.180 nan 0.000 0.529 189 I N 1.575 122.265 120.570 0.199 0.000 2.585 189 I HA -0.052 4.118 4.170 -0.000 0.000 0.254 189 I C 0.344 176.490 176.117 0.048 0.000 1.129 189 I CA 0.896 62.249 61.300 0.090 0.000 1.455 189 I CB -0.037 38.025 38.000 0.104 0.000 1.111 189 I HN 0.270 nan 8.210 nan 0.000 0.433 190 N N 1.185 119.952 118.700 0.112 0.000 2.479 190 N HA 0.251 4.991 4.740 -0.000 0.000 0.261 190 N C -0.878 174.552 175.510 -0.132 0.000 0.979 190 N CA -0.229 52.814 53.050 -0.011 0.000 0.930 190 N CB 2.624 41.110 38.487 -0.001 0.000 1.172 190 N HN -0.212 nan 8.380 nan 0.000 0.499 191 V N 4.827 124.572 119.914 -0.282 0.000 2.479 191 V HA 0.137 4.257 4.120 -0.000 0.000 0.281 191 V C -1.455 174.313 176.094 -0.543 0.000 1.031 191 V CA -0.815 61.177 62.300 -0.514 0.000 1.038 191 V CB 0.354 31.841 31.823 -0.561 0.000 0.981 191 V HN 0.513 nan 8.190 nan 0.000 0.478 192 P HA 0.295 nan 4.420 nan 0.000 0.276 192 P C -2.326 174.746 177.300 -0.380 0.000 1.252 192 P CA -1.903 60.825 63.100 -0.620 0.000 0.802 192 P CB 0.540 31.720 31.700 -0.867 0.000 1.035 193 P HA -0.179 nan 4.420 nan 0.000 0.216 193 P C 1.442 178.662 177.300 -0.133 0.000 1.150 193 P CA 2.116 65.126 63.100 -0.149 0.000 0.843 193 P CB -0.465 31.171 31.700 -0.107 0.000 0.787 194 A N -0.331 122.395 122.820 -0.158 0.000 2.015 194 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 194 A C 2.009 179.539 177.584 -0.091 0.000 1.163 194 A CA 1.402 53.378 52.037 -0.102 0.000 0.646 194 A CB -0.690 18.259 19.000 -0.085 0.000 0.806 194 A HN 0.105 nan 8.150 nan 0.000 0.448 195 E N -0.451 119.652 120.200 -0.162 0.000 2.472 195 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 195 E C 1.364 177.913 176.600 -0.084 0.000 1.033 195 E CA 0.100 56.428 56.400 -0.120 0.000 0.886 195 E CB -0.048 29.527 29.700 -0.209 0.000 0.944 195 E HN 0.732 nan 8.360 nan 0.000 0.492 196 E N 1.436 121.588 120.200 -0.081 0.000 2.130 196 E HA -0.237 4.112 4.350 -0.000 0.000 0.196 196 E C 1.980 178.588 176.600 0.013 0.000 0.998 196 E CA 1.460 57.852 56.400 -0.012 0.000 0.806 196 E CB -0.151 29.537 29.700 -0.020 0.000 0.738 196 E HN 0.260 nan 8.360 nan 0.000 0.459 197 K N 0.283 120.686 120.400 0.005 0.000 2.283 197 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 197 K C 1.244 177.861 176.600 0.027 0.000 1.048 197 K CA 1.167 57.467 56.287 0.021 0.000 0.948 197 K CB 0.072 32.582 32.500 0.018 0.000 0.742 197 K HN -0.012 nan 8.250 nan 0.000 0.458 198 N N -0.111 118.603 118.700 0.023 0.000 2.254 198 N HA -0.049 4.691 4.740 -0.000 0.000 0.190 198 N C -0.689 174.849 175.510 0.046 0.000 1.107 198 N CA 0.023 53.087 53.050 0.024 0.000 0.869 198 N CB 0.169 38.660 38.487 0.007 0.000 0.983 198 N HN 0.174 nan 8.380 nan 0.000 0.487 199 Y N 3.096 123.314 120.300 -0.137 0.000 2.539 199 Y HA 0.399 4.949 4.550 0.000 0.000 0.352 199 Y C 0.244 176.036 175.900 -0.180 0.000 1.004 199 Y CA -1.772 56.207 58.100 -0.203 0.000 1.278 199 Y CB -0.675 37.604 38.460 -0.302 0.000 1.136 199 Y HN -0.037 nan 8.280 nan 0.000 0.528 200 A N 6.153 129.028 122.820 0.092 0.000 2.520 200 A HA 0.049 4.369 4.320 -0.000 0.000 0.235 200 A C -0.383 177.231 177.584 0.050 0.000 1.065 200 A CA -0.209 51.851 52.037 0.038 0.000 0.764 200 A CB 0.055 19.004 19.000 -0.084 0.000 1.002 200 A HN 0.874 nan 8.150 nan 0.000 0.502 201 W N 0.618 121.936 121.300 0.030 0.000 2.251 201 W HA 0.473 5.133 4.660 0.000 0.000 0.329 201 W C 0.931 177.184 176.519 -0.444 0.000 1.234 201 W CA 0.553 57.733 57.345 -0.276 0.000 1.228 201 W CB 0.989 30.113 29.460 -0.561 0.000 1.135 201 W HN 0.931 nan 8.180 nan 0.000 0.576 202 G N 1.182 109.818 108.800 -0.272 0.000 2.451 202 G HA2 0.510 4.470 3.960 -0.000 0.000 0.303 202 G HA3 0.510 4.470 3.960 -0.000 0.000 0.303 202 G C -2.158 172.353 174.900 -0.648 0.000 1.166 202 G CA -0.517 44.144 45.100 -0.732 0.000 0.884 202 G HN 0.415 nan 8.290 nan 0.000 0.514 203 Y N -0.150 120.067 120.300 -0.137 0.000 2.326 203 Y HA 0.523 5.073 4.550 -0.000 0.000 0.329 203 Y C 0.442 176.332 175.900 -0.017 0.000 0.973 203 Y CA -0.791 57.279 58.100 -0.050 0.000 1.162 203 Y CB 2.167 40.605 38.460 -0.037 0.000 1.147 203 Y HN 0.489 nan 8.280 nan 0.000 0.456 204 R N 1.343 121.901 120.500 0.096 0.000 2.451 204 R HA 0.363 4.703 4.340 -0.000 0.000 0.307 204 R C -0.426 175.915 176.300 0.068 0.000 0.965 204 R CA -0.213 55.933 56.100 0.078 0.000 0.865 204 R CB 1.016 31.350 30.300 0.057 0.000 1.174 204 R HN 0.688 nan 8.270 nan 0.000 0.455 205 E N 2.200 122.439 120.200 0.065 0.000 2.360 205 E HA -0.215 4.135 4.350 -0.000 0.000 0.238 205 E C 0.872 177.501 176.600 0.049 0.000 1.186 205 E CA 1.177 57.605 56.400 0.046 0.000 0.719 205 E CB -1.900 27.818 29.700 0.031 0.000 1.236 205 E HN 1.236 nan 8.360 nan 0.000 0.386 206 G N -2.361 106.487 108.800 0.080 0.000 2.184 206 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.264 206 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.264 206 G C 0.332 175.310 174.900 0.130 0.000 0.975 206 G CA 0.641 45.791 45.100 0.084 0.000 0.642 206 G HN 0.855 nan 8.290 nan 0.000 0.536 207 K N 0.028 120.485 120.400 0.095 0.000 2.156 207 K HA 0.802 5.122 4.320 -0.000 0.000 0.271 207 K C 0.541 177.095 176.600 -0.076 0.000 0.995 207 K CA -0.012 56.282 56.287 0.012 0.000 0.890 207 K CB 1.706 34.186 32.500 -0.033 0.000 1.073 207 K HN 1.462 nan 8.250 nan 0.000 0.454 208 A N 1.659 124.314 122.820 -0.274 0.000 2.454 208 A HA 0.516 4.836 4.320 -0.000 0.000 0.260 208 A C 0.214 177.539 177.584 -0.433 0.000 1.106 208 A CA -0.346 51.286 52.037 -0.675 0.000 0.780 208 A CB -0.363 17.997 19.000 -1.068 0.000 1.044 208 A HN 0.935 nan 8.150 nan 0.000 0.498 209 V N 0.979 120.790 119.914 -0.172 0.000 2.971 209 V HA 0.677 4.797 4.120 -0.000 0.000 0.309 209 V C -0.732 175.501 176.094 0.233 0.000 1.130 209 V CA -0.827 61.513 62.300 0.067 0.000 0.964 209 V CB 1.254 33.108 31.823 0.052 0.000 1.029 209 V HN 0.959 nan 8.190 nan 0.000 0.427 210 H N 0.673 119.907 119.070 0.273 0.000 2.679 210 H HA 0.677 5.233 4.556 -0.000 0.000 0.367 210 H C -0.412 175.023 175.328 0.179 0.000 1.162 210 H CA -0.991 55.151 56.048 0.157 0.000 1.181 210 H CB 2.291 32.007 29.762 -0.077 0.000 1.693 210 H HN 0.805 nan 8.280 nan 0.000 0.538 211 V N 2.548 122.662 119.914 0.333 0.000 2.694 211 V HA -0.039 4.081 4.120 -0.000 0.000 0.306 211 V C -0.216 176.004 176.094 0.209 0.000 1.054 211 V CA 0.456 62.906 62.300 0.251 0.000 1.161 211 V CB 0.570 32.543 31.823 0.250 0.000 0.916 211 V HN 0.754 nan 8.190 nan 0.000 0.490 212 S N 7.301 123.108 115.700 0.180 0.000 2.610 212 S HA 0.518 4.988 4.470 -0.000 0.000 0.273 212 S C -2.322 172.363 174.600 0.142 0.000 1.274 212 S CA -0.777 57.508 58.200 0.142 0.000 1.023 212 S CB 1.087 64.354 63.200 0.111 0.000 0.962 212 S HN 0.838 nan 8.310 nan 0.000 0.523 213 P HA 0.427 nan 4.420 nan 0.000 0.267 213 P C -0.165 177.182 177.300 0.080 0.000 1.200 213 P CA 0.013 63.154 63.100 0.070 0.000 0.772 213 P CB 0.291 32.016 31.700 0.042 0.000 0.855 214 G N 0.151 108.988 108.800 0.062 0.000 2.673 214 G HA2 0.539 4.499 3.960 -0.000 0.000 0.292 214 G HA3 0.539 4.499 3.960 -0.000 0.000 0.292 214 G C -1.351 173.552 174.900 0.005 0.000 1.450 214 G CA -0.440 44.704 45.100 0.073 0.000 0.837 214 G HN 0.529 nan 8.290 nan 0.000 0.505 215 A N 0.636 123.453 122.820 -0.005 0.000 2.546 215 A HA 0.515 4.835 4.320 -0.000 0.000 0.243 215 A C 1.449 178.995 177.584 -0.064 0.000 1.063 215 A CA 0.706 52.720 52.037 -0.038 0.000 0.757 215 A CB -0.475 18.499 19.000 -0.043 0.000 0.991 215 A HN 1.788 nan 8.150 nan 0.000 0.503 216 L N 0.474 121.623 121.223 -0.125 0.000 4.179 216 L HA -0.332 4.008 4.340 -0.000 0.000 0.418 216 L C 1.286 177.946 176.870 -0.349 0.000 1.168 216 L CA 0.668 55.385 54.840 -0.205 0.000 0.972 216 L CB -1.840 40.158 42.059 -0.103 0.000 2.005 216 L HN 1.003 nan 8.230 nan 0.000 0.935 217 D N 0.409 120.557 120.400 -0.419 0.000 2.097 217 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 217 D C 1.972 177.845 176.300 -0.713 0.000 0.989 217 D CA 1.565 55.039 54.000 -0.876 0.000 0.827 217 D CB -0.167 40.303 40.800 -0.550 0.000 0.966 217 D HN 0.446 nan 8.370 nan 0.000 0.456 218 A N 0.845 123.418 122.820 -0.410 0.000 1.892 218 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 218 A C 2.150 179.532 177.584 -0.337 0.000 1.188 218 A CA 2.164 54.040 52.037 -0.268 0.000 0.631 218 A CB -0.788 18.130 19.000 -0.136 0.000 0.822 218 A HN 0.260 nan 8.150 nan 0.000 0.447 219 E N -0.595 119.224 120.200 -0.636 0.000 2.208 219 E HA 0.146 4.496 4.350 -0.000 0.000 0.193 219 E C 1.937 178.389 176.600 -0.246 0.000 0.988 219 E CA 1.145 57.108 56.400 -0.728 0.000 0.828 219 E CB -0.188 29.002 29.700 -0.850 0.000 0.763 219 E HN 0.607 nan 8.360 nan 0.000 0.478 220 A N -0.382 122.300 122.820 -0.230 0.000 2.055 220 A HA 0.106 4.426 4.320 -0.000 0.000 0.205 220 A C 0.734 178.400 177.584 0.136 0.000 1.235 220 A CA 0.487 52.518 52.037 -0.010 0.000 0.822 220 A CB 0.045 19.101 19.000 0.093 0.000 0.903 220 A HN 0.403 nan 8.150 nan 0.000 0.473 221 Y N -4.295 116.023 120.300 0.030 0.000 3.070 221 Y HA 0.474 5.023 4.550 -0.000 0.000 0.254 221 Y C 0.728 176.648 175.900 0.033 0.000 1.070 221 Y CA -0.438 57.695 58.100 0.055 0.000 1.229 221 Y CB -0.380 38.120 38.460 0.066 0.000 1.264 221 Y HN -0.008 nan 8.280 nan 0.000 0.639 222 G N 0.700 109.447 108.800 -0.088 0.000 3.337 222 G HA2 0.405 4.365 3.960 -0.000 0.000 0.246 222 G HA3 0.405 4.365 3.960 -0.000 0.000 0.246 222 G C -0.383 174.485 174.900 -0.052 0.000 1.131 222 G CA 0.017 45.062 45.100 -0.092 0.000 0.773 222 G HN 0.116 nan 8.290 nan 0.000 0.544 223 V N 0.590 120.474 119.914 -0.050 0.000 2.509 223 V HA 0.448 4.568 4.120 -0.000 0.000 0.284 223 V C -0.360 175.627 176.094 -0.178 0.000 1.047 223 V CA -0.602 61.611 62.300 -0.145 0.000 0.952 223 V CB 1.561 33.210 31.823 -0.290 0.000 0.988 223 V HN 0.136 nan 8.190 nan 0.000 0.469 224 K N 2.374 122.627 120.400 -0.245 0.000 2.270 224 K HA 0.801 5.121 4.320 -0.000 0.000 0.255 224 K C -0.506 175.945 176.600 -0.248 0.000 0.936 224 K CA -0.199 55.926 56.287 -0.269 0.000 0.809 224 K CB 1.970 34.201 32.500 -0.449 0.000 1.131 224 K HN 0.698 nan 8.250 nan 0.000 0.427 225 S N 0.157 115.783 115.700 -0.125 0.000 2.625 225 S HA 0.595 5.065 4.470 -0.000 0.000 0.271 225 S C -1.155 173.502 174.600 0.096 0.000 1.161 225 S CA -0.734 57.411 58.200 -0.091 0.000 0.820 225 S CB 0.980 64.086 63.200 -0.158 0.000 1.137 225 S HN 0.690 nan 8.310 nan 0.000 0.470 226 T N 0.225 114.839 114.554 0.099 0.000 2.912 226 T HA 0.517 4.867 4.350 -0.000 0.000 0.280 226 T C 1.236 176.043 174.700 0.178 0.000 0.989 226 T CA -0.526 61.678 62.100 0.173 0.000 0.995 226 T CB 0.772 69.686 68.868 0.077 0.000 1.077 226 T HN 0.439 nan 8.240 nan 0.000 0.531 227 I N 0.668 121.355 120.570 0.196 0.000 2.493 227 I HA -0.024 4.146 4.170 -0.000 0.000 0.254 227 I C 2.303 178.550 176.117 0.217 0.000 1.160 227 I CA 1.397 62.822 61.300 0.208 0.000 1.445 227 I CB -0.581 37.564 38.000 0.240 0.000 1.086 227 I HN 0.813 nan 8.210 nan 0.000 0.433 228 E N -0.059 120.169 120.200 0.047 0.000 2.046 228 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 228 E C 1.668 178.359 176.600 0.152 0.000 0.982 228 E CA 1.338 57.759 56.400 0.035 0.000 0.800 228 E CB -0.150 29.461 29.700 -0.149 0.000 0.756 228 E HN 0.459 nan 8.360 nan 0.000 0.449 229 D N 0.325 120.795 120.400 0.117 0.000 2.144 229 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 229 D C 1.838 178.263 176.300 0.210 0.000 0.984 229 D CA 0.964 55.037 54.000 0.121 0.000 0.834 229 D CB -0.029 40.785 40.800 0.023 0.000 0.955 229 D HN 0.080 nan 8.370 nan 0.000 0.465 230 M N 0.281 120.019 119.600 0.231 0.000 2.229 230 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 230 M C 2.208 178.698 176.300 0.317 0.000 1.063 230 M CA 0.610 56.104 55.300 0.324 0.000 1.114 230 M CB -0.993 31.779 32.600 0.287 0.000 1.387 230 M HN -0.024 nan 8.290 nan 0.000 0.420 231 A N 0.290 123.276 122.820 0.275 0.000 1.902 231 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 231 A C 2.365 180.033 177.584 0.140 0.000 1.181 231 A CA 1.408 53.567 52.037 0.204 0.000 0.623 231 A CB -0.560 18.592 19.000 0.254 0.000 0.818 231 A HN 0.437 nan 8.150 nan 0.000 0.443 232 R N -1.691 118.916 120.500 0.179 0.000 2.092 232 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 232 R C 2.162 178.567 176.300 0.175 0.000 1.119 232 R CA 1.304 57.488 56.100 0.140 0.000 0.970 232 R CB -0.364 30.026 30.300 0.150 0.000 0.864 232 R HN 0.874 nan 8.270 nan 0.000 0.440 233 W N 1.068 122.396 121.300 0.047 0.000 2.358 233 W HA -0.201 4.459 4.660 0.000 0.000 0.303 233 W C 1.526 177.991 176.519 -0.091 0.000 1.208 233 W CA 1.179 58.541 57.345 0.028 0.000 1.274 233 W CB -0.003 29.528 29.460 0.118 0.000 1.138 233 W HN -0.122 nan 8.180 nan 0.000 0.515 234 V N 1.397 121.255 119.914 -0.093 0.000 2.295 234 V HA -0.352 3.768 4.120 -0.000 0.000 0.246 234 V C 2.398 178.179 176.094 -0.523 0.000 1.049 234 V CA 2.310 64.359 62.300 -0.418 0.000 1.024 234 V CB -1.092 30.613 31.823 -0.197 0.000 0.648 234 V HN 0.248 nan 8.190 nan 0.000 0.447 235 Q N -0.152 119.483 119.800 -0.276 0.000 2.096 235 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 235 Q C 2.479 178.296 176.000 -0.305 0.000 0.982 235 Q CA 2.027 57.678 55.803 -0.253 0.000 0.850 235 Q CB -0.303 28.356 28.738 -0.131 0.000 0.901 235 Q HN 0.615 nan 8.270 nan 0.000 0.422 236 S N 0.878 116.406 115.700 -0.287 0.000 2.383 236 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 236 S C 1.530 175.864 174.600 -0.444 0.000 1.026 236 S CA 0.925 58.957 58.200 -0.280 0.000 0.981 236 S CB -0.167 62.932 63.200 -0.168 0.000 0.818 236 S HN 0.376 nan 8.310 nan 0.000 0.472 237 N N 1.091 119.353 118.700 -0.730 0.000 2.409 237 N HA 0.134 4.874 4.740 -0.000 0.000 0.179 237 N C 1.568 176.580 175.510 -0.830 0.000 1.032 237 N CA 0.448 52.978 53.050 -0.867 0.000 0.898 237 N CB -0.120 37.602 38.487 -1.274 0.000 0.971 237 N HN 0.330 nan 8.380 nan 0.000 0.441 238 L N 0.463 121.190 121.223 -0.828 0.000 2.093 238 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 238 L C 0.739 177.431 176.870 -0.296 0.000 1.085 238 L CA 1.162 55.690 54.840 -0.520 0.000 0.755 238 L CB 0.111 41.912 42.059 -0.430 0.000 0.904 238 L HN -0.066 nan 8.230 nan 0.000 0.435 239 K N -0.826 119.409 120.400 -0.276 0.000 2.920 239 K HA 0.194 4.514 4.320 -0.000 0.000 0.175 239 K C -1.954 174.551 176.600 -0.159 0.000 1.099 239 K CA -1.060 55.118 56.287 -0.182 0.000 0.939 239 K CB 1.363 33.771 32.500 -0.153 0.000 1.148 239 K HN -0.126 nan 8.250 nan 0.000 0.613 240 P HA -0.100 nan 4.420 nan 0.000 0.223 240 P C 1.126 178.378 177.300 -0.081 0.000 1.151 240 P CA 0.576 63.603 63.100 -0.121 0.000 0.787 240 P CB 0.212 31.846 31.700 -0.111 0.000 0.788 241 L N -0.314 120.863 121.223 -0.077 0.000 2.551 241 L HA 0.024 4.364 4.340 -0.000 0.000 0.228 241 L C 1.747 178.585 176.870 -0.053 0.000 1.153 241 L CA 1.352 56.158 54.840 -0.057 0.000 0.851 241 L CB -2.066 39.961 42.059 -0.054 0.000 0.959 241 L HN 0.024 nan 8.230 nan 0.000 0.451 242 D N -0.825 119.537 120.400 -0.062 0.000 2.349 242 D HA 0.168 4.808 4.640 -0.000 0.000 0.215 242 D C 0.742 177.017 176.300 -0.042 0.000 1.016 242 D CA 0.312 54.280 54.000 -0.053 0.000 0.870 242 D CB 0.147 40.909 40.800 -0.063 0.000 0.917 242 D HN 0.374 nan 8.370 nan 0.000 0.524 243 I N 1.527 122.072 120.570 -0.041 0.000 2.416 243 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 243 I C 1.382 177.488 176.117 -0.018 0.000 1.051 243 I CA -0.329 60.956 61.300 -0.026 0.000 1.375 243 I CB 0.984 38.970 38.000 -0.023 0.000 1.407 243 I HN -0.198 nan 8.210 nan 0.000 0.516 244 N N 4.000 122.692 118.700 -0.013 0.000 2.300 244 N HA -0.066 4.674 4.740 -0.000 0.000 0.179 244 N C 0.072 175.577 175.510 -0.009 0.000 1.016 244 N CA 0.726 53.769 53.050 -0.012 0.000 0.876 244 N CB 0.111 38.592 38.487 -0.011 0.000 0.979 244 N HN 0.571 nan 8.380 nan 0.000 0.432 245 E N 1.123 121.320 120.200 -0.005 0.000 2.265 245 E HA 0.145 4.495 4.350 -0.000 0.000 0.272 245 E C 1.158 177.756 176.600 -0.004 0.000 1.067 245 E CA 0.013 56.411 56.400 -0.004 0.000 0.900 245 E CB 0.622 30.322 29.700 -0.000 0.000 1.017 245 E HN 0.229 nan 8.360 nan 0.000 0.431 246 K N 2.360 122.757 120.400 -0.006 0.000 2.026 246 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 246 K C 2.027 178.627 176.600 -0.001 0.000 1.048 246 K CA 2.193 58.477 56.287 -0.005 0.000 0.929 246 K CB -1.448 31.049 32.500 -0.006 0.000 0.713 246 K HN 0.674 nan 8.250 nan 0.000 0.439 247 T N -0.832 113.723 114.554 0.000 0.000 2.915 247 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 247 T C 1.961 176.670 174.700 0.014 0.000 1.071 247 T CA 1.297 63.400 62.100 0.006 0.000 1.132 247 T CB -0.149 68.719 68.868 -0.000 0.000 0.878 247 T HN 0.216 nan 8.240 nan 0.000 0.479 248 L N 1.032 122.264 121.223 0.015 0.000 2.131 248 L HA 0.170 4.510 4.340 -0.000 0.000 0.206 248 L C 2.767 179.653 176.870 0.027 0.000 1.087 248 L CA 1.649 56.508 54.840 0.032 0.000 0.767 248 L CB -1.045 41.037 42.059 0.038 0.000 0.917 248 L HN 0.360 nan 8.230 nan 0.000 0.441 249 Q N -0.696 119.109 119.800 0.008 0.000 2.045 249 Q HA -0.314 4.026 4.340 -0.000 0.000 0.206 249 Q C 2.179 178.178 176.000 -0.001 0.000 0.991 249 Q CA 2.544 58.342 55.803 -0.008 0.000 0.851 249 Q CB -0.152 28.577 28.738 -0.014 0.000 0.911 249 Q HN 0.667 nan 8.270 nan 0.000 0.418 250 Q N -0.754 119.051 119.800 0.009 0.000 2.084 250 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 250 Q C 2.076 178.100 176.000 0.040 0.000 0.978 250 Q CA 1.234 57.048 55.803 0.018 0.000 0.844 250 Q CB -0.304 28.445 28.738 0.018 0.000 0.898 250 Q HN 0.587 nan 8.270 nan 0.000 0.426 251 G N 1.011 109.841 108.800 0.051 0.000 2.440 251 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 251 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 251 G C 1.401 176.363 174.900 0.103 0.000 1.154 251 G CA 0.796 45.946 45.100 0.083 0.000 0.767 251 G HN 0.245 nan 8.290 nan 0.000 0.552 252 I N 0.304 120.916 120.570 0.069 0.000 2.226 252 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 252 I C 3.046 179.192 176.117 0.048 0.000 1.100 252 I CA 1.258 62.586 61.300 0.047 0.000 1.374 252 I CB -0.294 37.674 38.000 -0.053 0.000 1.057 252 I HN 0.252 nan 8.210 nan 0.000 0.413 253 Q N 0.471 120.286 119.800 0.024 0.000 2.084 253 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 253 Q C 2.385 178.418 176.000 0.056 0.000 0.978 253 Q CA 1.343 57.155 55.803 0.016 0.000 0.844 253 Q CB -0.162 28.573 28.738 -0.005 0.000 0.898 253 Q HN 0.537 nan 8.270 nan 0.000 0.426 254 L N 0.042 121.321 121.223 0.095 0.000 2.141 254 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 254 L C 2.376 179.398 176.870 0.254 0.000 1.094 254 L CA 0.764 55.697 54.840 0.156 0.000 0.763 254 L CB -0.480 41.678 42.059 0.165 0.000 0.908 254 L HN 0.203 nan 8.230 nan 0.000 0.437 255 A N -0.830 122.136 122.820 0.243 0.000 2.066 255 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 255 A C 2.035 179.850 177.584 0.384 0.000 1.157 255 A CA 0.978 53.217 52.037 0.336 0.000 0.670 255 A CB -0.183 19.046 19.000 0.381 0.000 0.804 255 A HN 0.473 nan 8.150 nan 0.000 0.453 256 Q N 0.014 119.958 119.800 0.240 0.000 2.247 256 Q HA 0.191 4.531 4.340 -0.000 0.000 0.204 256 Q C -0.136 175.894 176.000 0.050 0.000 0.872 256 Q CA -0.323 55.563 55.803 0.139 0.000 0.951 256 Q CB 0.433 29.177 28.738 0.011 0.000 1.099 256 Q HN 0.486 nan 8.270 nan 0.000 0.501 257 S N 1.048 116.763 115.700 0.026 0.000 2.579 257 S HA 0.181 4.651 4.470 -0.000 0.000 0.275 257 S C 0.095 174.512 174.600 -0.304 0.000 1.345 257 S CA -0.056 58.006 58.200 -0.229 0.000 1.031 257 S CB 0.535 63.468 63.200 -0.444 0.000 0.892 257 S HN 0.234 nan 8.310 nan 0.000 0.529 258 R N 1.619 121.902 120.500 -0.362 0.000 2.204 258 R HA 0.234 4.574 4.340 -0.000 0.000 0.341 258 R C -0.322 175.790 176.300 -0.312 0.000 1.035 258 R CA -0.127 55.862 56.100 -0.185 0.000 0.887 258 R CB 0.377 30.555 30.300 -0.203 0.000 1.114 258 R HN 0.695 nan 8.270 nan 0.000 0.473 259 Y N 0.673 120.974 120.300 0.002 0.000 2.436 259 Y HA 0.125 4.675 4.550 0.000 0.000 0.288 259 Y C 0.181 175.787 175.900 -0.490 0.000 1.112 259 Y CA 0.355 58.293 58.100 -0.270 0.000 1.220 259 Y CB 0.526 38.816 38.460 -0.284 0.000 1.073 259 Y HN 0.455 nan 8.280 nan 0.000 0.552 260 W N -0.223 121.245 121.300 0.280 0.000 3.127 260 W HA 0.532 5.192 4.660 0.000 0.000 0.330 260 W C -0.925 175.705 176.519 0.184 0.000 1.187 260 W CA -0.967 56.499 57.345 0.202 0.000 1.198 260 W CB 1.199 30.763 29.460 0.174 0.000 1.408 260 W HN -0.456 nan 8.180 nan 0.000 0.529 261 Q N 1.521 121.523 119.800 0.337 0.000 2.340 261 Q HA 0.612 4.952 4.340 -0.000 0.000 0.268 261 Q C -1.114 174.905 176.000 0.032 0.000 1.031 261 Q CA -0.429 55.402 55.803 0.047 0.000 0.804 261 Q CB 2.295 30.990 28.738 -0.071 0.000 1.286 261 Q HN 0.431 nan 8.270 nan 0.000 0.448 262 T N 2.676 117.200 114.554 -0.051 0.000 2.890 262 T HA 0.617 4.967 4.350 -0.000 0.000 0.295 262 T C 0.456 175.098 174.700 -0.098 0.000 0.993 262 T CA 0.719 62.790 62.100 -0.048 0.000 0.979 262 T CB 0.754 69.612 68.868 -0.017 0.000 0.967 262 T HN 1.000 nan 8.240 nan 0.000 0.441 263 G N 5.501 114.245 108.800 -0.093 0.000 2.622 263 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.307 263 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.307 263 G C 0.405 175.215 174.900 -0.150 0.000 1.226 263 G CA 0.820 45.862 45.100 -0.097 0.000 0.997 263 G HN 1.000 nan 8.290 nan 0.000 0.551 264 D N 0.261 120.582 120.400 -0.132 0.000 2.342 264 D HA 0.297 4.937 4.640 -0.000 0.000 0.221 264 D C 1.065 177.261 176.300 -0.173 0.000 1.101 264 D CA 0.343 54.258 54.000 -0.142 0.000 0.837 264 D CB 0.069 40.824 40.800 -0.076 0.000 0.938 264 D HN 0.552 nan 8.370 nan 0.000 0.508 265 M N 0.577 120.053 119.600 -0.206 0.000 2.472 265 M HA 0.439 4.919 4.480 -0.000 0.000 0.331 265 M C -1.681 174.481 176.300 -0.230 0.000 1.170 265 M CA -0.718 54.533 55.300 -0.081 0.000 1.009 265 M CB 1.878 34.522 32.600 0.072 0.000 1.672 265 M HN -0.185 nan 8.290 nan 0.000 0.453 266 Y N 1.371 121.780 120.300 0.183 0.000 2.409 266 Y HA 0.384 4.934 4.550 -0.000 0.000 0.343 266 Y C -0.447 175.614 175.900 0.268 0.000 0.973 266 Y CA -0.784 57.438 58.100 0.203 0.000 1.064 266 Y CB 1.696 40.243 38.460 0.144 0.000 1.207 266 Y HN 0.536 nan 8.280 nan 0.000 0.452 267 Q N 1.862 121.945 119.800 0.471 0.000 2.296 267 Q HA 0.558 4.898 4.340 -0.000 0.000 0.257 267 Q C -0.016 176.282 176.000 0.496 0.000 0.942 267 Q CA -0.223 55.859 55.803 0.465 0.000 0.939 267 Q CB 1.213 30.242 28.738 0.484 0.000 1.198 267 Q HN 0.893 nan 8.270 nan 0.000 0.429 268 G N 2.784 111.850 108.800 0.444 0.000 2.641 268 G HA2 0.481 4.441 3.960 -0.000 0.000 0.239 268 G HA3 0.481 4.441 3.960 -0.000 0.000 0.239 268 G C -0.901 174.172 174.900 0.288 0.000 1.402 268 G CA -0.822 44.561 45.100 0.473 0.000 1.046 268 G HN 0.603 nan 8.290 nan 0.000 0.565 269 L N 1.094 122.457 121.223 0.233 0.000 2.270 269 L HA 0.453 4.792 4.340 -0.000 0.000 0.286 269 L C 1.389 178.305 176.870 0.078 0.000 1.059 269 L CA 0.408 55.257 54.840 0.014 0.000 0.839 269 L CB 0.479 42.530 42.059 -0.014 0.000 1.221 269 L HN 1.035 nan 8.230 nan 0.000 0.431 270 G N 2.116 110.933 108.800 0.029 0.000 4.039 270 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 270 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 270 G C 0.049 175.002 174.900 0.087 0.000 1.391 270 G CA -0.129 44.989 45.100 0.030 0.000 0.920 270 G HN 0.530 nan 8.290 nan 0.000 0.599 271 W N 2.520 123.956 121.300 0.226 0.000 2.209 271 W HA 0.524 5.184 4.660 -0.000 0.000 0.344 271 W C 0.874 177.543 176.519 0.250 0.000 1.285 271 W CA -0.062 57.412 57.345 0.215 0.000 1.267 271 W CB 0.329 29.887 29.460 0.165 0.000 1.167 271 W HN 0.359 nan 8.180 nan 0.000 0.574 272 E N 1.702 122.252 120.200 0.583 0.000 2.227 272 E HA 0.590 4.940 4.350 -0.000 0.000 0.268 272 E C -0.819 176.078 176.600 0.494 0.000 0.907 272 E CA -1.163 55.544 56.400 0.512 0.000 0.786 272 E CB 1.745 31.738 29.700 0.487 0.000 1.191 272 E HN 0.185 nan 8.360 nan 0.000 0.411 273 M N 1.919 121.763 119.600 0.407 0.000 2.501 273 M HA 0.465 4.945 4.480 -0.000 0.000 0.293 273 M C -1.578 174.943 176.300 0.369 0.000 1.192 273 M CA -0.374 55.106 55.300 0.300 0.000 0.886 273 M CB 1.791 34.502 32.600 0.185 0.000 1.710 273 M HN 0.305 nan 8.290 nan 0.000 0.457 274 L N 0.399 121.806 121.223 0.306 0.000 2.371 274 L HA 0.562 4.902 4.340 -0.000 0.000 0.262 274 L C -0.732 176.302 176.870 0.274 0.000 1.006 274 L CA -0.736 54.292 54.840 0.314 0.000 0.818 274 L CB 1.758 43.917 42.059 0.167 0.000 1.354 274 L HN 0.536 nan 8.230 nan 0.000 0.415 275 D N 0.907 121.461 120.400 0.257 0.000 2.455 275 D HA -0.049 4.591 4.640 -0.000 0.000 0.241 275 D C -0.882 175.553 176.300 0.225 0.000 1.138 275 D CA 0.274 54.388 54.000 0.190 0.000 0.877 275 D CB 1.019 41.902 40.800 0.139 0.000 1.187 275 D HN 0.359 nan 8.370 nan 0.000 0.451 276 W N 4.780 126.135 121.300 0.091 0.000 2.417 276 W HA 0.279 4.939 4.660 -0.000 0.000 0.317 276 W C -2.320 174.249 176.519 0.084 0.000 1.121 276 W CA -1.824 55.593 57.345 0.120 0.000 1.208 276 W CB 1.135 30.681 29.460 0.144 0.000 1.253 276 W HN 0.237 nan 8.180 nan 0.000 0.533 277 P HA 0.179 nan 4.420 nan 0.000 0.275 277 P C -0.710 176.263 177.300 -0.546 0.000 1.228 277 P CA -0.027 62.291 63.100 -1.303 0.000 0.786 277 P CB 1.695 32.823 31.700 -0.954 0.000 0.927 278 V N 0.590 120.209 119.914 -0.492 0.000 2.834 278 V HA 0.383 4.503 4.120 -0.000 0.000 0.313 278 V C 0.535 176.340 176.094 -0.482 0.000 1.060 278 V CA -1.059 61.034 62.300 -0.344 0.000 0.989 278 V CB 1.157 32.776 31.823 -0.340 0.000 1.041 278 V HN 0.556 nan 8.190 nan 0.000 0.459 279 N N 3.840 122.288 118.700 -0.421 0.000 2.411 279 N HA 0.271 5.011 4.740 -0.000 0.000 0.259 279 N C -1.368 173.750 175.510 -0.654 0.000 1.103 279 N CA -2.138 50.638 53.050 -0.457 0.000 0.954 279 N CB 1.498 39.808 38.487 -0.296 0.000 1.085 279 N HN 0.386 nan 8.380 nan 0.000 0.485 280 P HA -0.086 nan 4.420 nan 0.000 0.217 280 P C 0.347 177.274 177.300 -0.622 0.000 1.150 280 P CA 0.988 63.386 63.100 -1.171 0.000 0.832 280 P CB 0.477 31.109 31.700 -1.781 0.000 0.787 281 D N -0.380 119.756 120.400 -0.440 0.000 2.182 281 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 281 D C 2.165 178.327 176.300 -0.231 0.000 0.986 281 D CA 1.080 54.916 54.000 -0.273 0.000 0.847 281 D CB -0.552 40.127 40.800 -0.201 0.000 0.942 281 D HN 0.148 nan 8.370 nan 0.000 0.467 282 S N 0.353 115.899 115.700 -0.258 0.000 2.355 282 S HA -0.112 4.358 4.470 -0.000 0.000 0.222 282 S C 2.168 176.667 174.600 -0.168 0.000 1.031 282 S CA 1.005 59.088 58.200 -0.194 0.000 0.993 282 S CB -0.176 62.908 63.200 -0.192 0.000 0.859 282 S HN 0.403 nan 8.310 nan 0.000 0.453 283 I N -0.950 119.476 120.570 -0.241 0.000 2.439 283 I HA 0.016 4.186 4.170 -0.000 0.000 0.251 283 I C 2.060 178.132 176.117 -0.074 0.000 1.139 283 I CA 1.077 62.292 61.300 -0.143 0.000 1.438 283 I CB -0.526 37.297 38.000 -0.294 0.000 1.085 283 I HN 0.226 nan 8.210 nan 0.000 0.427 284 I N 2.062 122.539 120.570 -0.155 0.000 2.133 284 I HA -0.229 3.941 4.170 -0.000 0.000 0.238 284 I C 2.345 178.411 176.117 -0.084 0.000 1.074 284 I CA 1.503 62.737 61.300 -0.110 0.000 1.342 284 I CB -0.707 37.213 38.000 -0.133 0.000 1.053 284 I HN 0.265 nan 8.210 nan 0.000 0.404 285 N N 1.191 119.834 118.700 -0.095 0.000 2.166 285 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 285 N C 1.857 177.332 175.510 -0.058 0.000 1.019 285 N CA 1.607 54.612 53.050 -0.074 0.000 0.856 285 N CB -0.794 37.646 38.487 -0.079 0.000 0.993 285 N HN 0.440 nan 8.380 nan 0.000 0.426 286 G N 0.085 108.854 108.800 -0.051 0.000 2.509 286 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 286 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 286 G C 1.535 176.424 174.900 -0.019 0.000 1.124 286 G CA 1.082 46.166 45.100 -0.027 0.000 0.776 286 G HN 0.503 nan 8.290 nan 0.000 0.547 287 S N -0.454 115.233 115.700 -0.022 0.000 2.528 287 S HA 0.033 4.503 4.470 -0.000 0.000 0.219 287 S C 0.752 175.306 174.600 -0.076 0.000 0.985 287 S CA -0.075 58.100 58.200 -0.042 0.000 0.914 287 S CB 0.039 63.212 63.200 -0.044 0.000 0.776 287 S HN 0.259 nan 8.310 nan 0.000 0.526 288 D N 2.106 122.467 120.400 -0.066 0.000 2.455 288 D HA 0.068 4.708 4.640 -0.000 0.000 0.241 288 D C 0.374 176.633 176.300 -0.068 0.000 1.138 288 D CA 0.049 54.011 54.000 -0.063 0.000 0.877 288 D CB 0.549 41.319 40.800 -0.050 0.000 1.187 288 D HN 0.084 nan 8.370 nan 0.000 0.451 289 N N 2.992 121.651 118.700 -0.068 0.000 2.443 289 N HA -0.179 4.561 4.740 -0.000 0.000 0.184 289 N C 1.530 177.011 175.510 -0.048 0.000 1.037 289 N CA 0.695 53.702 53.050 -0.071 0.000 0.896 289 N CB -0.084 38.368 38.487 -0.058 0.000 0.959 289 N HN 0.641 nan 8.380 nan 0.000 0.442 290 K N 0.160 120.538 120.400 -0.036 0.000 2.283 290 K HA -0.001 4.319 4.320 -0.000 0.000 0.202 290 K C 1.657 178.242 176.600 -0.026 0.000 1.048 290 K CA 0.908 57.181 56.287 -0.023 0.000 0.948 290 K CB 0.026 32.514 32.500 -0.018 0.000 0.742 290 K HN 0.165 nan 8.250 nan 0.000 0.458 291 I N 1.063 121.609 120.570 -0.039 0.000 2.729 291 I HA 0.002 4.171 4.170 -0.000 0.000 0.256 291 I C 2.487 178.573 176.117 -0.052 0.000 1.115 291 I CA 0.512 61.788 61.300 -0.040 0.000 1.446 291 I CB -0.070 37.906 38.000 -0.041 0.000 1.176 291 I HN 0.191 nan 8.210 nan 0.000 0.446 292 A N 0.835 123.606 122.820 -0.082 0.000 2.019 292 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 292 A C 2.047 179.536 177.584 -0.159 0.000 1.164 292 A CA 1.281 53.234 52.037 -0.141 0.000 0.644 292 A CB -0.534 18.341 19.000 -0.209 0.000 0.805 292 A HN 0.432 nan 8.150 nan 0.000 0.449 293 L N -1.108 120.062 121.223 -0.089 0.000 2.640 293 L HA 0.297 4.637 4.340 -0.000 0.000 0.230 293 L C 1.038 177.925 176.870 0.030 0.000 1.123 293 L CA -0.126 54.704 54.840 -0.016 0.000 0.900 293 L CB -0.109 41.954 42.059 0.006 0.000 1.146 293 L HN 0.338 nan 8.230 nan 0.000 0.484 294 A N 0.759 123.583 122.820 0.007 0.000 2.316 294 A HA 0.694 5.014 4.320 -0.000 0.000 0.284 294 A C 0.452 178.042 177.584 0.009 0.000 1.115 294 A CA -0.234 51.817 52.037 0.022 0.000 0.812 294 A CB 0.540 19.542 19.000 0.002 0.000 1.064 294 A HN 0.189 nan 8.150 nan 0.000 0.489 295 A N 2.230 125.059 122.820 0.016 0.000 2.477 295 A HA 0.549 4.869 4.320 -0.000 0.000 0.246 295 A C 0.371 177.858 177.584 -0.161 0.000 1.078 295 A CA 0.031 52.006 52.037 -0.104 0.000 0.770 295 A CB 0.086 18.960 19.000 -0.209 0.000 1.011 295 A HN 0.738 nan 8.150 nan 0.000 0.494 296 R N 2.180 122.557 120.500 -0.204 0.000 2.621 296 R HA 0.452 4.792 4.340 -0.000 0.000 0.284 296 R C -3.161 173.005 176.300 -0.224 0.000 0.998 296 R CA -2.000 53.998 56.100 -0.171 0.000 0.895 296 R CB 2.016 32.260 30.300 -0.093 0.000 1.195 296 R HN 0.524 nan 8.270 nan 0.000 0.450 297 P HA 0.093 nan 4.420 nan 0.000 0.271 297 P C -0.188 177.047 177.300 -0.108 0.000 1.216 297 P CA -0.231 62.756 63.100 -0.188 0.000 0.776 297 P CB 0.840 32.457 31.700 -0.139 0.000 0.881 298 V N -0.121 119.738 119.914 -0.093 0.000 2.815 298 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 298 V C -0.072 176.126 176.094 0.173 0.000 1.064 298 V CA -1.012 61.309 62.300 0.035 0.000 0.952 298 V CB 1.994 33.801 31.823 -0.026 0.000 1.020 298 V HN 0.219 nan 8.190 nan 0.000 0.439 299 K N 1.717 122.269 120.400 0.252 0.000 2.213 299 K HA 0.819 5.139 4.320 -0.000 0.000 0.270 299 K C 0.258 177.095 176.600 0.395 0.000 1.002 299 K CA 0.096 56.541 56.287 0.262 0.000 0.868 299 K CB 1.502 34.090 32.500 0.147 0.000 1.093 299 K HN 1.458 nan 8.250 nan 0.000 0.454 300 A N 2.936 125.967 122.820 0.352 0.000 2.477 300 A HA 0.439 4.759 4.320 -0.000 0.000 0.246 300 A C 0.161 177.722 177.584 -0.039 0.000 1.078 300 A CA -0.310 51.733 52.037 0.010 0.000 0.770 300 A CB -0.057 18.901 19.000 -0.071 0.000 1.011 300 A HN 0.706 nan 8.150 nan 0.000 0.494 301 I N 3.133 123.608 120.570 -0.159 0.000 2.307 301 I HA 0.226 4.396 4.170 -0.000 0.000 0.287 301 I C 0.002 176.031 176.117 -0.147 0.000 1.054 301 I CA 0.321 61.565 61.300 -0.093 0.000 1.218 301 I CB 0.225 38.183 38.000 -0.069 0.000 1.398 301 I HN 0.503 nan 8.210 nan 0.000 0.475 302 T N 7.705 122.206 114.554 -0.089 0.000 2.893 302 T HA 0.460 4.810 4.350 -0.000 0.000 0.324 302 T C -1.663 173.003 174.700 -0.058 0.000 1.082 302 T CA -0.871 61.181 62.100 -0.080 0.000 0.983 302 T CB 1.246 70.086 68.868 -0.047 0.000 1.005 302 T HN 0.443 nan 8.240 nan 0.000 0.475 303 P HA 0.557 nan 4.420 nan 0.000 0.281 303 P C -3.079 174.135 177.300 -0.144 0.000 1.281 303 P CA -2.227 60.816 63.100 -0.095 0.000 0.811 303 P CB 0.141 31.799 31.700 -0.070 0.000 1.154 304 P HA 0.079 nan 4.420 nan 0.000 0.265 304 P C -0.313 176.822 177.300 -0.275 0.000 1.193 304 P CA 0.415 63.310 63.100 -0.342 0.000 0.765 304 P CB -0.081 31.240 31.700 -0.632 0.000 0.823 305 T N 5.644 120.041 114.554 -0.262 0.000 2.814 305 T HA 0.225 4.575 4.350 -0.000 0.000 0.297 305 T C -2.096 172.474 174.700 -0.217 0.000 0.956 305 T CA -0.997 60.978 62.100 -0.207 0.000 1.123 305 T CB -0.234 68.509 68.868 -0.208 0.000 0.902 305 T HN 0.275 nan 8.240 nan 0.000 0.528 306 P HA 0.198 nan 4.420 nan 0.000 0.270 306 P C -0.488 176.737 177.300 -0.126 0.000 1.223 306 P CA -0.472 62.548 63.100 -0.132 0.000 0.785 306 P CB 0.299 31.943 31.700 -0.093 0.000 0.923 307 A N 2.366 125.126 122.820 -0.100 0.000 2.583 307 A HA 0.040 4.360 4.320 -0.000 0.000 0.249 307 A C 0.170 177.699 177.584 -0.090 0.000 1.035 307 A CA 0.282 52.266 52.037 -0.088 0.000 0.777 307 A CB -0.851 18.112 19.000 -0.062 0.000 0.942 307 A HN 0.370 nan 8.150 nan 0.000 0.516 308 V N 6.173 126.026 119.914 -0.102 0.000 2.385 308 V HA 0.110 4.230 4.120 -0.000 0.000 0.269 308 V C 1.537 177.593 176.094 -0.064 0.000 1.043 308 V CA -0.266 61.981 62.300 -0.088 0.000 0.906 308 V CB 0.791 32.547 31.823 -0.111 0.000 0.995 308 V HN 1.060 nan 8.190 nan 0.000 0.467 309 R N 3.766 124.236 120.500 -0.051 0.000 2.091 309 R HA -0.065 4.274 4.340 -0.000 0.000 0.238 309 R C 1.321 177.603 176.300 -0.030 0.000 1.136 309 R CA 1.452 57.523 56.100 -0.047 0.000 0.959 309 R CB -0.117 30.155 30.300 -0.046 0.000 0.856 309 R HN 0.724 nan 8.270 nan 0.000 0.437 310 A N 1.760 124.590 122.820 0.018 0.000 3.063 310 A HA 0.247 4.566 4.320 -0.000 0.000 0.263 310 A C -0.522 177.160 177.584 0.163 0.000 1.736 310 A CA 0.043 52.144 52.037 0.106 0.000 1.408 310 A CB 0.046 19.142 19.000 0.159 0.000 1.108 310 A HN 0.062 nan 8.150 nan 0.000 0.621 311 S N 0.494 116.252 115.700 0.096 0.000 2.570 311 S HA 0.508 4.978 4.470 -0.000 0.000 0.286 311 S C -0.885 173.795 174.600 0.135 0.000 1.099 311 S CA -0.582 57.694 58.200 0.127 0.000 0.913 311 S CB 1.159 64.349 63.200 -0.016 0.000 1.085 311 S HN 0.693 nan 8.310 nan 0.000 0.480 312 W N 3.932 125.265 121.300 0.055 0.000 2.332 312 W HA 0.533 5.193 4.660 -0.000 0.000 0.306 312 W C -1.748 174.628 176.519 -0.238 0.000 1.149 312 W CA -0.446 56.866 57.345 -0.055 0.000 1.271 312 W CB 0.549 30.071 29.460 0.102 0.000 1.243 312 W HN 0.326 nan 8.180 nan 0.000 0.459 313 V N 7.535 127.008 119.914 -0.735 0.000 2.417 313 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 313 V C -0.096 175.558 176.094 -0.733 0.000 1.024 313 V CA -0.429 61.393 62.300 -0.797 0.000 0.861 313 V CB 1.312 32.183 31.823 -1.587 0.000 0.985 313 V HN 0.667 nan 8.190 nan 0.000 0.436 314 H N 2.502 121.483 119.070 -0.148 0.000 2.981 314 H HA 0.912 5.468 4.556 -0.000 0.000 0.327 314 H C -1.302 174.292 175.328 0.444 0.000 1.342 314 H CA -1.268 54.825 56.048 0.075 0.000 1.123 314 H CB 2.294 32.133 29.762 0.129 0.000 1.851 314 H HN 0.445 nan 8.280 nan 0.000 0.531 315 K N 0.897 121.428 120.400 0.218 0.000 2.570 315 K HA 0.308 4.628 4.320 -0.000 0.000 0.256 315 K C -1.628 175.094 176.600 0.202 0.000 0.939 315 K CA -0.273 56.093 56.287 0.131 0.000 0.833 315 K CB 2.556 35.121 32.500 0.108 0.000 1.318 315 K HN 0.792 nan 8.250 nan 0.000 0.433 316 T N 1.325 116.003 114.554 0.207 0.000 2.934 316 T HA 0.792 5.142 4.350 -0.000 0.000 0.283 316 T C -0.289 174.517 174.700 0.178 0.000 1.005 316 T CA -0.254 62.008 62.100 0.270 0.000 1.041 316 T CB 1.426 70.369 68.868 0.125 0.000 1.042 316 T HN 0.648 nan 8.240 nan 0.000 0.505 317 G N -0.231 108.677 108.800 0.180 0.000 2.706 317 G HA2 0.709 4.669 3.960 -0.000 0.000 0.297 317 G HA3 0.709 4.669 3.960 -0.000 0.000 0.297 317 G C -1.743 173.247 174.900 0.151 0.000 1.403 317 G CA -0.665 44.538 45.100 0.172 0.000 0.954 317 G HN 0.934 nan 8.290 nan 0.000 0.500 318 A N 0.560 123.466 122.820 0.143 0.000 2.549 318 A HA 0.965 5.285 4.320 -0.000 0.000 0.297 318 A C 0.041 177.710 177.584 0.143 0.000 1.061 318 A CA 0.068 52.192 52.037 0.145 0.000 0.690 318 A CB 1.698 20.748 19.000 0.084 0.000 1.287 318 A HN 1.751 nan 8.150 nan 0.000 0.402 319 T N -1.904 112.775 114.554 0.209 0.000 2.724 319 T HA 0.640 4.990 4.350 -0.000 0.000 0.274 319 T C 1.354 176.165 174.700 0.185 0.000 0.984 319 T CA 0.177 62.381 62.100 0.172 0.000 1.024 319 T CB 0.887 69.906 68.868 0.251 0.000 1.320 319 T HN 1.468 nan 8.240 nan 0.000 0.555 320 G N -0.311 108.588 108.800 0.165 0.000 2.442 320 G HA2 0.157 4.117 3.960 -0.000 0.000 0.219 320 G HA3 0.157 4.117 3.960 -0.000 0.000 0.219 320 G C 1.169 176.165 174.900 0.159 0.000 1.141 320 G CA 0.632 45.813 45.100 0.136 0.000 0.763 320 G HN 1.150 nan 8.290 nan 0.000 0.554 321 G N -1.370 107.573 108.800 0.238 0.000 3.324 321 G HA2 0.480 4.440 3.960 -0.000 0.000 0.251 321 G HA3 0.480 4.440 3.960 -0.000 0.000 0.251 321 G C -0.433 174.458 174.900 -0.016 0.000 1.072 321 G CA -0.455 44.705 45.100 0.100 0.000 0.787 321 G HN 0.189 nan 8.290 nan 0.000 0.537 322 F N -0.467 119.616 119.950 0.222 0.000 2.599 322 F HA 0.702 5.229 4.527 -0.000 0.000 0.311 322 F C 0.312 176.250 175.800 0.230 0.000 1.076 322 F CA -1.070 57.097 58.000 0.280 0.000 0.937 322 F CB 2.488 41.676 39.000 0.312 0.000 1.282 322 F HN 0.015 nan 8.300 nan 0.000 0.460 323 G N 0.779 109.846 108.800 0.445 0.000 2.707 323 G HA2 0.598 4.558 3.960 -0.000 0.000 0.299 323 G HA3 0.598 4.558 3.960 -0.000 0.000 0.299 323 G C -1.641 173.428 174.900 0.281 0.000 1.442 323 G CA -0.617 44.635 45.100 0.253 0.000 1.009 323 G HN 0.566 nan 8.290 nan 0.000 0.515 324 S N 0.149 115.986 115.700 0.228 0.000 2.599 324 S HA 0.807 5.277 4.470 -0.000 0.000 0.294 324 S C -1.695 173.092 174.600 0.311 0.000 1.094 324 S CA -0.656 57.698 58.200 0.257 0.000 0.931 324 S CB 2.065 65.412 63.200 0.245 0.000 1.093 324 S HN 0.700 nan 8.310 nan 0.000 0.488 325 Y N 0.928 121.331 120.300 0.170 0.000 2.519 325 Y HA 0.550 5.100 4.550 -0.000 0.000 0.336 325 Y C -1.628 174.420 175.900 0.248 0.000 1.089 325 Y CA -1.040 57.175 58.100 0.191 0.000 1.025 325 Y CB 1.159 39.730 38.460 0.184 0.000 1.318 325 Y HN 0.641 nan 8.280 nan 0.000 0.452 326 V N 1.744 121.476 119.914 -0.303 0.000 2.760 326 V HA 1.069 5.189 4.120 -0.000 0.000 0.309 326 V C -1.069 174.766 176.094 -0.430 0.000 1.077 326 V CA -0.440 61.772 62.300 -0.147 0.000 0.910 326 V CB 1.113 33.113 31.823 0.295 0.000 1.008 326 V HN 1.374 nan 8.190 nan 0.000 0.424 327 A N 4.546 127.154 122.820 -0.353 0.000 2.520 327 A HA 1.041 5.361 4.320 -0.000 0.000 0.298 327 A C -1.124 176.170 177.584 -0.484 0.000 1.051 327 A CA -0.558 51.122 52.037 -0.594 0.000 0.690 327 A CB 1.766 20.314 19.000 -0.753 0.000 1.281 327 A HN 2.140 nan 8.150 nan 0.000 0.402 328 F N -0.567 118.931 119.950 -0.752 0.000 2.668 328 F HA 0.837 5.364 4.527 -0.000 0.000 0.309 328 F C -1.400 174.047 175.800 -0.588 0.000 1.117 328 F CA -1.255 56.386 58.000 -0.598 0.000 0.951 328 F CB 1.337 40.048 39.000 -0.481 0.000 1.323 328 F HN 0.310 nan 8.300 nan 0.000 0.451 329 I N 2.421 122.821 120.570 -0.284 0.000 2.466 329 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 329 I C -2.145 173.862 176.117 -0.184 0.000 1.033 329 I CA -1.860 59.238 61.300 -0.337 0.000 1.123 329 I CB 1.862 39.524 38.000 -0.564 0.000 1.237 329 I HN 0.376 nan 8.210 nan 0.000 0.460 330 P HA -0.204 nan 4.420 nan 0.000 0.215 330 P C 1.406 178.635 177.300 -0.119 0.000 1.153 330 P CA 1.214 64.272 63.100 -0.070 0.000 0.853 330 P CB 0.309 31.981 31.700 -0.046 0.000 0.788 331 E N -0.159 119.965 120.200 -0.126 0.000 2.209 331 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 331 E C 1.129 177.645 176.600 -0.140 0.000 0.993 331 E CA 1.013 57.346 56.400 -0.111 0.000 0.819 331 E CB -0.020 29.635 29.700 -0.074 0.000 0.745 331 E HN 0.127 nan 8.360 nan 0.000 0.477 332 K N 0.262 120.540 120.400 -0.204 0.000 2.358 332 K HA 0.018 4.338 4.320 -0.000 0.000 0.197 332 K C -0.138 176.340 176.600 -0.203 0.000 1.025 332 K CA 0.155 56.315 56.287 -0.212 0.000 1.104 332 K CB 0.736 33.062 32.500 -0.290 0.000 0.855 332 K HN 0.038 nan 8.250 nan 0.000 0.531 333 E N 0.437 120.528 120.200 -0.181 0.000 2.389 333 E HA -0.227 4.123 4.350 -0.000 0.000 0.243 333 E C -0.486 176.012 176.600 -0.170 0.000 1.154 333 E CA 0.481 56.777 56.400 -0.174 0.000 0.723 333 E CB -2.143 27.452 29.700 -0.175 0.000 1.261 333 E HN 0.167 nan 8.360 nan 0.000 0.390 334 L N -0.921 120.206 121.223 -0.161 0.000 2.408 334 L HA 0.814 5.154 4.340 -0.000 0.000 0.268 334 L C 0.204 177.012 176.870 -0.102 0.000 0.986 334 L CA 0.369 55.136 54.840 -0.120 0.000 0.820 334 L CB 2.158 44.124 42.059 -0.155 0.000 1.303 334 L HN 0.156 nan 8.230 nan 0.000 0.411 335 G N 3.972 112.745 108.800 -0.045 0.000 2.608 335 G HA2 0.621 4.581 3.960 -0.000 0.000 0.291 335 G HA3 0.621 4.581 3.960 -0.000 0.000 0.291 335 G C -2.227 172.682 174.900 0.016 0.000 1.425 335 G CA -0.457 44.619 45.100 -0.039 0.000 0.787 335 G HN 0.803 nan 8.290 nan 0.000 0.484 336 I N -0.267 120.317 120.570 0.025 0.000 2.752 336 I HA 0.631 4.801 4.170 -0.000 0.000 0.295 336 I C -1.359 174.829 176.117 0.118 0.000 1.219 336 I CA -0.949 60.409 61.300 0.096 0.000 1.030 336 I CB 2.290 40.366 38.000 0.127 0.000 1.259 336 I HN 0.384 nan 8.210 nan 0.000 0.423 337 V N 7.410 127.430 119.914 0.177 0.000 2.588 337 V HA 0.530 4.650 4.120 -0.000 0.000 0.304 337 V C -0.451 175.778 176.094 0.226 0.000 1.042 337 V CA -0.430 61.992 62.300 0.202 0.000 0.877 337 V CB 1.811 33.768 31.823 0.224 0.000 0.996 337 V HN 0.646 nan 8.190 nan 0.000 0.425 338 M N 6.138 125.881 119.600 0.239 0.000 2.142 338 M HA 0.592 5.072 4.480 -0.000 0.000 0.299 338 M C -1.306 175.096 176.300 0.170 0.000 0.960 338 M CA -0.119 55.319 55.300 0.230 0.000 0.920 338 M CB 1.797 34.578 32.600 0.302 0.000 1.541 338 M HN 0.392 nan 8.290 nan 0.000 0.429 339 L N 2.991 124.217 121.223 0.006 0.000 2.325 339 L HA 0.952 5.292 4.340 -0.000 0.000 0.281 339 L C -0.394 176.331 176.870 -0.241 0.000 1.004 339 L CA -0.702 54.001 54.840 -0.227 0.000 0.823 339 L CB 1.700 43.291 42.059 -0.779 0.000 1.236 339 L HN 0.777 nan 8.230 nan 0.000 0.415 340 A N 2.102 125.029 122.820 0.178 0.000 2.435 340 A HA 0.601 4.921 4.320 -0.000 0.000 0.304 340 A C -0.311 177.624 177.584 0.585 0.000 1.064 340 A CA -0.741 51.525 52.037 0.382 0.000 0.727 340 A CB 1.243 20.469 19.000 0.376 0.000 1.284 340 A HN 0.753 nan 8.150 nan 0.000 0.415 341 N N 1.157 120.136 118.700 0.465 0.000 2.558 341 N HA 0.176 4.916 4.740 -0.000 0.000 0.281 341 N C -0.486 175.017 175.510 -0.011 0.000 1.219 341 N CA -0.137 52.894 53.050 -0.031 0.000 0.942 341 N CB 0.249 38.699 38.487 -0.062 0.000 1.241 341 N HN 0.609 nan 8.380 nan 0.000 0.511 342 K N 0.082 120.568 120.400 0.143 0.000 2.523 342 K HA 0.249 4.569 4.320 -0.000 0.000 0.257 342 K C -1.554 175.225 176.600 0.298 0.000 0.932 342 K CA -0.713 55.679 56.287 0.175 0.000 0.812 342 K CB 1.294 33.891 32.500 0.162 0.000 1.326 342 K HN -0.043 nan 8.250 nan 0.000 0.433 343 N N 3.874 122.711 118.700 0.228 0.000 2.555 343 N HA 0.117 4.857 4.740 -0.000 0.000 0.244 343 N C -1.443 174.181 175.510 0.190 0.000 1.114 343 N CA -0.104 53.065 53.050 0.198 0.000 0.963 343 N CB -0.194 38.377 38.487 0.140 0.000 1.276 343 N HN 0.475 nan 8.380 nan 0.000 0.510 344 Y N 1.205 121.547 120.300 0.070 0.000 2.534 344 Y HA 0.794 5.344 4.550 -0.000 0.000 0.329 344 Y C -2.528 173.390 175.900 0.030 0.000 1.154 344 Y CA -3.105 55.019 58.100 0.041 0.000 1.192 344 Y CB 0.059 38.538 38.460 0.031 0.000 1.275 344 Y HN 0.240 nan 8.280 nan 0.000 0.491 345 P HA 0.091 nan 4.420 nan 0.000 0.268 345 P C -0.032 177.152 177.300 -0.194 0.000 1.204 345 P CA 0.098 63.154 63.100 -0.074 0.000 0.768 345 P CB 0.756 32.461 31.700 0.009 0.000 0.842 346 N N 4.499 123.085 118.700 -0.189 0.000 2.060 346 N HA -0.169 4.571 4.740 -0.000 0.000 0.195 346 N C -0.892 174.511 175.510 -0.178 0.000 1.028 346 N CA 2.007 54.931 53.050 -0.210 0.000 0.861 346 N CB -1.938 36.458 38.487 -0.153 0.000 1.029 346 N HN 0.459 nan 8.380 nan 0.000 0.428 347 P HA -0.016 nan 4.420 nan 0.000 0.218 347 P C 1.054 178.327 177.300 -0.045 0.000 1.149 347 P CA 1.372 64.425 63.100 -0.078 0.000 0.817 347 P CB -0.080 31.589 31.700 -0.051 0.000 0.785 348 A N 0.237 123.055 122.820 -0.003 0.000 1.933 348 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 348 A C 2.200 179.850 177.584 0.110 0.000 1.175 348 A CA 1.417 53.505 52.037 0.086 0.000 0.628 348 A CB -0.954 18.166 19.000 0.200 0.000 0.814 348 A HN 0.119 nan 8.150 nan 0.000 0.444 349 R N -0.612 119.893 120.500 0.009 0.000 2.070 349 R HA -0.080 4.260 4.340 -0.000 0.000 0.233 349 R C 1.980 178.208 176.300 -0.120 0.000 1.137 349 R CA 1.576 57.658 56.100 -0.031 0.000 0.945 349 R CB -0.768 29.378 30.300 -0.257 0.000 0.845 349 R HN 0.371 nan 8.270 nan 0.000 0.430 350 V N 1.670 121.419 119.914 -0.274 0.000 2.427 350 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 350 V C 1.950 178.117 176.094 0.121 0.000 1.051 350 V CA 2.087 64.280 62.300 -0.178 0.000 1.048 350 V CB -0.602 31.127 31.823 -0.156 0.000 0.666 350 V HN 0.334 nan 8.190 nan 0.000 0.456 351 D N 0.646 121.091 120.400 0.075 0.000 2.104 351 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 351 D C 2.125 178.558 176.300 0.222 0.000 0.994 351 D CA 1.692 55.777 54.000 0.142 0.000 0.830 351 D CB -0.160 40.686 40.800 0.077 0.000 0.959 351 D HN 0.355 nan 8.370 nan 0.000 0.452 352 A N 0.522 123.446 122.820 0.173 0.000 1.883 352 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 352 A C 2.429 180.156 177.584 0.238 0.000 1.186 352 A CA 2.395 54.533 52.037 0.169 0.000 0.624 352 A CB -1.282 17.795 19.000 0.128 0.000 0.822 352 A HN 0.373 nan 8.150 nan 0.000 0.444 353 A N -1.141 121.885 122.820 0.344 0.000 1.908 353 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 353 A C 2.131 180.041 177.584 0.544 0.000 1.181 353 A CA 1.487 53.813 52.037 0.482 0.000 0.627 353 A CB -1.005 18.470 19.000 0.792 0.000 0.818 353 A HN 0.889 nan 8.150 nan 0.000 0.445 354 W N 0.754 122.288 121.300 0.390 0.000 2.335 354 W HA -0.219 4.441 4.660 -0.000 0.000 0.311 354 W C 1.899 178.548 176.519 0.217 0.000 1.213 354 W CA 2.120 59.639 57.345 0.290 0.000 1.274 354 W CB -0.314 29.182 29.460 0.061 0.000 1.148 354 W HN 0.411 nan 8.180 nan 0.000 0.498 355 Q N 0.625 120.510 119.800 0.141 0.000 2.096 355 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 355 Q C 2.241 178.197 176.000 -0.073 0.000 0.982 355 Q CA 2.142 57.938 55.803 -0.012 0.000 0.850 355 Q CB -0.961 27.828 28.738 0.085 0.000 0.901 355 Q HN 0.504 nan 8.270 nan 0.000 0.422 356 I N 0.117 120.695 120.570 0.013 0.000 2.193 356 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 356 I C 2.280 178.387 176.117 -0.017 0.000 1.084 356 I CA 0.760 62.061 61.300 0.001 0.000 1.365 356 I CB -0.242 37.780 38.000 0.037 0.000 1.064 356 I HN 0.095 nan 8.210 nan 0.000 0.410 357 L N 0.314 121.555 121.223 0.030 0.000 2.141 357 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 357 L C 2.224 179.042 176.870 -0.087 0.000 1.094 357 L CA 1.209 56.062 54.840 0.022 0.000 0.763 357 L CB -0.763 41.377 42.059 0.135 0.000 0.908 357 L HN 0.324 nan 8.230 nan 0.000 0.437 358 N N 0.539 119.043 118.700 -0.327 0.000 2.244 358 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 358 N C 1.776 177.177 175.510 -0.181 0.000 1.016 358 N CA 1.329 54.117 53.050 -0.436 0.000 0.866 358 N CB 0.034 37.843 38.487 -1.129 0.000 0.980 358 N HN 0.266 nan 8.380 nan 0.000 0.430 359 A N -0.082 122.651 122.820 -0.146 0.000 1.969 359 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 359 A C 2.036 179.609 177.584 -0.018 0.000 1.169 359 A CA 0.891 52.889 52.037 -0.066 0.000 0.635 359 A CB -0.396 18.568 19.000 -0.061 0.000 0.810 359 A HN 0.351 nan 8.150 nan 0.000 0.445 360 L N -0.551 120.674 121.223 0.002 0.000 2.513 360 L HA 0.059 4.399 4.340 -0.000 0.000 0.222 360 L C 1.260 178.215 176.870 0.142 0.000 1.096 360 L CA -0.124 54.768 54.840 0.087 0.000 0.857 360 L CB -0.288 41.839 42.059 0.113 0.000 1.026 360 L HN 0.578 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.839 119.800 0.065 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.830 55.803 0.044 0.000 1.022 361 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481