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 2pbg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTKTLPKDFI FGGATAAYQA EGATHTDGKG PVAWDKYLED NYWYTAEPAS DATA SEQUENCE DFYHKYPVDL ELAEEYGVNG IRISIAWSRI FPTGYGEVNE KGVEFYHKLF DATA SEQUENCE AECHKRHVEP FVTLHHFDTP EALHSNGDFL NRENIEHFID YAAFCFEEFP DATA SEQUENCE EVNYWTTFNE IGPIGDGQYL VGKFPPGIKY DLAKVFQSHH NMMVSHARAV DATA SEQUENCE KLYKDKGYKG EIGVVHALPT KYPYDPENPA DVRAAELEDI IHNKFILDAT DATA SEQUENCE YLGHYCDKTM EGVNHILAEN GGELDLRDED FQALDAAKDL NDFLGINYYM DATA SEQUENCE SDWMQAFDGE TEIIHNGKGE KGSSKYQIKG VGRRVAPDYV PRTDWDWIIY DATA SEQUENCE PEGLYDQIMR VKNDYPNYKK IYITENGLGY KDEFVDNTVY DDGRIDYVKQ DATA SEQUENCE HLEVLSDAIA DGANVKGYFI WSLMDVFSWS NGYEKRYGLF YVDFDTQERY DATA SEQUENCE PKKSAHWYKK LAETQVIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 T N 0.860 115.418 114.554 0.006 0.000 2.867 2 T HA 0.506 4.855 4.350 -0.001 0.000 0.286 2 T C 0.348 175.049 174.700 0.003 0.000 1.022 2 T CA -0.810 61.296 62.100 0.010 0.000 0.933 2 T CB 0.958 69.840 68.868 0.022 0.000 1.280 2 T HN -0.079 nan 8.240 nan 0.000 0.566 3 K N 2.537 122.940 120.400 0.005 0.000 2.401 3 K HA 0.315 4.635 4.320 -0.001 0.000 0.278 3 K C 0.167 176.754 176.600 -0.021 0.000 1.018 3 K CA 0.043 56.325 56.287 -0.008 0.000 0.981 3 K CB 0.090 32.587 32.500 -0.004 0.000 0.933 3 K HN 0.888 nan 8.250 nan 0.000 0.477 4 T N 0.467 114.999 114.554 -0.036 0.000 2.861 4 T HA 0.565 4.915 4.350 -0.001 0.000 0.287 4 T C 0.283 174.930 174.700 -0.089 0.000 1.003 4 T CA -0.947 61.123 62.100 -0.051 0.000 0.977 4 T CB 1.220 70.069 68.868 -0.031 0.000 0.996 4 T HN 0.278 nan 8.240 nan 0.000 0.448 5 L N 2.459 123.606 121.223 -0.127 0.000 2.399 5 L HA 0.504 4.843 4.340 -0.001 0.000 0.265 5 L C -2.169 174.624 176.870 -0.128 0.000 1.089 5 L CA -2.649 52.029 54.840 -0.271 0.000 0.802 5 L CB 0.835 42.569 42.059 -0.542 0.000 1.180 5 L HN 0.392 nan 8.230 nan 0.000 0.454 6 P HA -0.060 nan 4.420 nan 0.000 0.266 6 P C -0.088 177.307 177.300 0.158 0.000 1.193 6 P CA 0.013 63.157 63.100 0.075 0.000 0.770 6 P CB 0.622 32.441 31.700 0.198 0.000 0.836 7 K N 3.164 123.642 120.400 0.131 0.000 1.985 7 K HA -0.201 4.119 4.320 -0.001 0.000 0.210 7 K C 1.027 177.740 176.600 0.188 0.000 1.047 7 K CA 2.389 58.756 56.287 0.133 0.000 0.932 7 K CB -0.984 31.566 32.500 0.084 0.000 0.716 7 K HN 0.567 nan 8.250 nan 0.000 0.439 8 D N -0.874 119.626 120.400 0.167 0.000 2.358 8 D HA -0.092 4.547 4.640 -0.001 0.000 0.241 8 D C 0.013 176.423 176.300 0.183 0.000 1.094 8 D CA -0.184 53.911 54.000 0.158 0.000 0.907 8 D CB -0.458 40.412 40.800 0.117 0.000 0.893 8 D HN 0.117 nan 8.370 nan 0.000 0.528 9 F N 1.267 121.240 119.950 0.039 0.000 2.563 9 F HA 0.173 4.699 4.527 -0.001 0.000 0.363 9 F C 0.352 176.049 175.800 -0.172 0.000 1.123 9 F CA -0.777 57.149 58.000 -0.124 0.000 1.307 9 F CB 0.573 39.377 39.000 -0.326 0.000 1.115 9 F HN -0.012 nan 8.300 nan 0.000 0.592 10 I N 6.426 126.627 120.570 -0.615 0.000 2.325 10 I HA 0.248 4.418 4.170 -0.001 0.000 0.291 10 I C -1.339 174.391 176.117 -0.644 0.000 1.019 10 I CA -0.445 60.579 61.300 -0.460 0.000 1.302 10 I CB 0.107 37.810 38.000 -0.494 0.000 1.401 10 I HN 0.405 nan 8.210 nan 0.000 0.485 11 F N 7.248 127.081 119.950 -0.195 0.000 2.300 11 F HA 0.519 5.046 4.527 -0.001 0.000 0.364 11 F C 0.864 176.582 175.800 -0.137 0.000 1.090 11 F CA -0.409 57.522 58.000 -0.116 0.000 1.200 11 F CB 0.856 39.734 39.000 -0.204 0.000 1.493 11 F HN 0.479 nan 8.300 nan 0.000 0.518 12 G N 0.357 108.970 108.800 -0.312 0.000 2.601 12 G HA2 0.675 4.634 3.960 -0.001 0.000 0.317 12 G HA3 0.675 4.634 3.960 -0.001 0.000 0.317 12 G C -0.639 174.279 174.900 0.030 0.000 1.246 12 G CA -0.971 43.937 45.100 -0.320 0.000 1.012 12 G HN 0.673 nan 8.290 nan 0.000 0.494 13 G N -1.473 107.412 108.800 0.143 0.000 2.591 13 G HA2 0.754 4.714 3.960 -0.001 0.000 0.306 13 G HA3 0.754 4.714 3.960 -0.001 0.000 0.306 13 G C -0.688 174.360 174.900 0.246 0.000 1.334 13 G CA 0.179 45.394 45.100 0.191 0.000 0.981 13 G HN 1.040 nan 8.290 nan 0.000 0.491 14 A N 0.907 123.855 122.820 0.212 0.000 2.330 14 A HA 1.000 5.320 4.320 -0.001 0.000 0.329 14 A C 0.360 177.958 177.584 0.022 0.000 1.135 14 A CA -0.017 52.144 52.037 0.207 0.000 0.817 14 A CB 1.804 21.000 19.000 0.327 0.000 1.269 14 A HN 1.784 nan 8.150 nan 0.000 0.469 15 T N -2.612 111.970 114.554 0.045 0.000 2.731 15 T HA 0.823 5.173 4.350 -0.001 0.000 0.300 15 T C -0.663 174.070 174.700 0.054 0.000 1.283 15 T CA -0.075 61.926 62.100 -0.165 0.000 1.005 15 T CB 1.324 69.954 68.868 -0.396 0.000 1.420 15 T HN 2.205 nan 8.240 nan 0.000 0.503 16 A N -0.140 122.630 122.820 -0.084 0.000 2.475 16 A HA 0.923 5.243 4.320 -0.001 0.000 0.301 16 A C 1.099 178.605 177.584 -0.130 0.000 1.059 16 A CA -0.356 51.543 52.037 -0.230 0.000 0.710 16 A CB 1.141 19.843 19.000 -0.498 0.000 1.288 16 A HN 1.619 nan 8.150 nan 0.000 0.408 17 A N 0.735 123.549 122.820 -0.010 0.000 1.829 17 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 17 A C 1.735 179.374 177.584 0.092 0.000 1.207 17 A CA 2.134 54.261 52.037 0.149 0.000 0.622 17 A CB -1.262 17.907 19.000 0.281 0.000 0.846 17 A HN 1.475 nan 8.150 nan 0.000 0.447 18 Y N 0.571 120.887 120.300 0.027 0.000 2.651 18 Y HA -0.143 4.407 4.550 -0.001 0.000 0.293 18 Y C 2.314 178.067 175.900 -0.245 0.000 1.151 18 Y CA 1.837 59.917 58.100 -0.034 0.000 1.362 18 Y CB -0.175 38.349 38.460 0.106 0.000 0.973 18 Y HN 0.495 nan 8.280 nan 0.000 0.561 19 Q N -2.096 117.506 119.800 -0.330 0.000 2.387 19 Q HA 0.146 4.486 4.340 -0.001 0.000 0.212 19 Q C 2.219 177.988 176.000 -0.385 0.000 0.925 19 Q CA 0.676 56.186 55.803 -0.488 0.000 0.901 19 Q CB 0.191 28.682 28.738 -0.413 0.000 1.020 19 Q HN 0.429 nan 8.270 nan 0.000 0.545 20 A N 0.663 123.315 122.820 -0.279 0.000 1.881 20 A HA -0.081 4.239 4.320 -0.001 0.000 0.210 20 A C 1.659 179.218 177.584 -0.042 0.000 1.239 20 A CA 0.855 52.765 52.037 -0.212 0.000 0.629 20 A CB -0.476 18.288 19.000 -0.393 0.000 0.906 20 A HN 0.276 nan 8.150 nan 0.000 0.460 21 E N -0.834 119.390 120.200 0.041 0.000 2.160 21 E HA -0.121 4.229 4.350 -0.001 0.000 0.237 21 E C 1.237 177.851 176.600 0.023 0.000 1.069 21 E CA 2.385 58.869 56.400 0.139 0.000 0.950 21 E CB -0.359 29.385 29.700 0.073 0.000 0.832 21 E HN 1.050 nan 8.360 nan 0.000 0.496 22 G N -1.444 107.271 108.800 -0.141 0.000 2.475 22 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.223 22 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.223 22 G C 0.183 174.933 174.900 -0.249 0.000 1.201 22 G CA 0.434 45.444 45.100 -0.151 0.000 0.962 22 G HN 1.316 nan 8.290 nan 0.000 0.586 23 A N -0.893 121.786 122.820 -0.235 0.000 2.089 23 A HA 0.066 4.386 4.320 -0.001 0.000 0.265 23 A C 2.023 179.385 177.584 -0.370 0.000 1.315 23 A CA 2.682 54.502 52.037 -0.363 0.000 0.768 23 A CB -1.912 16.596 19.000 -0.820 0.000 1.112 23 A HN 2.640 nan 8.150 nan 0.000 0.336 24 T N -2.947 111.447 114.554 -0.267 0.000 2.867 24 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 24 T C 1.340 175.794 174.700 -0.410 0.000 1.057 24 T CA 2.068 63.977 62.100 -0.317 0.000 1.136 24 T CB -0.301 68.355 68.868 -0.353 0.000 0.874 24 T HN 0.814 nan 8.240 nan 0.000 0.466 25 H N 0.014 119.036 119.070 -0.079 0.000 2.855 25 H HA 0.323 4.879 4.556 -0.001 0.000 0.259 25 H C 0.512 175.792 175.328 -0.081 0.000 0.972 25 H CA 0.018 56.032 56.048 -0.056 0.000 1.213 25 H CB 0.374 30.118 29.762 -0.029 0.000 1.451 25 H HN 0.195 nan 8.280 nan 0.000 0.484 26 T N 1.826 116.363 114.554 -0.028 0.000 2.930 26 T HA -0.057 4.292 4.350 -0.001 0.000 0.306 26 T C 0.023 174.628 174.700 -0.157 0.000 1.045 26 T CA 0.134 62.189 62.100 -0.075 0.000 1.134 26 T CB 0.165 68.972 68.868 -0.101 0.000 0.961 26 T HN 0.400 nan 8.240 nan 0.000 0.545 27 D N 2.010 122.383 120.400 -0.044 0.000 2.735 27 D HA -0.207 4.432 4.640 -0.001 0.000 0.235 27 D C 1.206 177.505 176.300 -0.002 0.000 1.175 27 D CA 1.387 55.389 54.000 0.003 0.000 0.683 27 D CB -1.179 39.677 40.800 0.093 0.000 1.008 27 D HN 1.167 nan 8.370 nan 0.000 0.416 28 G N 0.476 109.281 108.800 0.010 0.000 2.205 28 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.261 28 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.261 28 G C 0.480 175.387 174.900 0.013 0.000 0.980 28 G CA 0.802 45.916 45.100 0.024 0.000 0.632 28 G HN 0.594 nan 8.290 nan 0.000 0.533 29 K N 1.269 121.653 120.400 -0.028 0.000 2.524 29 K HA 0.395 4.715 4.320 -0.001 0.000 0.279 29 K C 1.117 177.709 176.600 -0.014 0.000 0.993 29 K CA 0.506 56.775 56.287 -0.029 0.000 1.030 29 K CB -0.086 32.355 32.500 -0.099 0.000 0.891 29 K HN 0.382 nan 8.250 nan 0.000 0.488 30 G N 4.436 113.233 108.800 -0.005 0.000 2.451 30 G HA2 0.342 4.302 3.960 -0.001 0.000 0.303 30 G HA3 0.342 4.302 3.960 -0.001 0.000 0.303 30 G C -2.443 172.434 174.900 -0.037 0.000 1.166 30 G CA -1.320 43.768 45.100 -0.020 0.000 0.884 30 G HN 0.552 nan 8.290 nan 0.000 0.514 31 P HA 0.315 nan 4.420 nan 0.000 0.272 31 P C -0.236 177.015 177.300 -0.082 0.000 1.240 31 P CA -0.091 62.982 63.100 -0.044 0.000 0.791 31 P CB 1.433 33.125 31.700 -0.014 0.000 0.978 32 V N -4.283 115.571 119.914 -0.101 0.000 3.159 32 V HA 0.673 4.792 4.120 -0.001 0.000 0.308 32 V C 1.209 177.180 176.094 -0.205 0.000 1.190 32 V CA -0.332 61.869 62.300 -0.165 0.000 1.037 32 V CB 0.791 32.482 31.823 -0.220 0.000 1.060 32 V HN 0.531 nan 8.190 nan 0.000 0.437 33 A N -0.165 122.434 122.820 -0.368 0.000 2.019 33 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 33 A C 1.394 178.739 177.584 -0.399 0.000 1.164 33 A CA 1.912 53.658 52.037 -0.485 0.000 0.644 33 A CB -0.925 17.490 19.000 -0.976 0.000 0.805 33 A HN 1.030 nan 8.150 nan 0.000 0.449 34 W N 0.579 121.679 121.300 -0.334 0.000 2.355 34 W HA -0.137 4.522 4.660 -0.001 0.000 0.309 34 W C 1.894 178.423 176.519 0.017 0.000 1.206 34 W CA 0.964 58.199 57.345 -0.183 0.000 1.284 34 W CB -0.198 29.045 29.460 -0.362 0.000 1.145 34 W HN 0.354 nan 8.180 nan 0.000 0.502 35 D N 0.169 120.699 120.400 0.217 0.000 2.191 35 D HA -0.223 4.416 4.640 -0.001 0.000 0.195 35 D C 1.703 178.116 176.300 0.188 0.000 1.003 35 D CA 1.804 55.936 54.000 0.221 0.000 0.867 35 D CB -0.271 40.609 40.800 0.134 0.000 0.926 35 D HN 0.336 nan 8.370 nan 0.000 0.450 36 K N -0.754 119.730 120.400 0.141 0.000 2.141 36 K HA -0.055 4.265 4.320 -0.001 0.000 0.202 36 K C 2.178 178.885 176.600 0.178 0.000 1.045 36 K CA 0.017 56.379 56.287 0.126 0.000 0.971 36 K CB -0.184 32.363 32.500 0.078 0.000 0.795 36 K HN 0.039 nan 8.250 nan 0.000 0.459 37 Y N 2.263 122.595 120.300 0.053 0.000 2.151 37 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 37 Y C 1.862 177.925 175.900 0.271 0.000 1.166 37 Y CA 1.472 59.640 58.100 0.113 0.000 1.163 37 Y CB -0.216 38.226 38.460 -0.030 0.000 0.974 37 Y HN -0.034 nan 8.280 nan 0.000 0.511 38 L N -0.667 120.781 121.223 0.375 0.000 2.093 38 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 38 L C 2.271 179.235 176.870 0.158 0.000 1.085 38 L CA 1.508 56.485 54.840 0.228 0.000 0.755 38 L CB -0.526 41.718 42.059 0.308 0.000 0.904 38 L HN 0.246 nan 8.230 nan 0.000 0.435 39 E N 0.240 120.522 120.200 0.138 0.000 2.005 39 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 39 E C 1.751 178.354 176.600 0.005 0.000 0.987 39 E CA 1.377 57.811 56.400 0.057 0.000 0.814 39 E CB -0.135 29.596 29.700 0.052 0.000 0.772 39 E HN 0.472 nan 8.360 nan 0.000 0.453 40 D N 1.021 121.421 120.400 0.001 0.000 2.077 40 D HA -0.104 4.536 4.640 -0.001 0.000 0.196 40 D C 1.564 177.815 176.300 -0.082 0.000 0.986 40 D CA 1.066 55.039 54.000 -0.045 0.000 0.829 40 D CB -0.626 40.151 40.800 -0.039 0.000 0.983 40 D HN 0.047 nan 8.370 nan 0.000 0.453 41 N N -0.886 117.730 118.700 -0.139 0.000 2.521 41 N HA 0.010 4.750 4.740 -0.001 0.000 0.188 41 N C -0.006 175.355 175.510 -0.249 0.000 1.146 41 N CA 0.503 53.373 53.050 -0.300 0.000 0.893 41 N CB 0.165 38.173 38.487 -0.798 0.000 0.975 41 N HN 0.259 nan 8.380 nan 0.000 0.451 42 Y N -3.150 117.067 120.300 -0.139 0.000 3.326 42 Y HA 0.379 4.929 4.550 -0.000 0.000 0.269 42 Y C 0.330 176.236 175.900 0.011 0.000 2.118 42 Y CA -1.209 56.852 58.100 -0.066 0.000 0.942 42 Y CB 0.434 38.794 38.460 -0.165 0.000 1.585 42 Y HN -0.086 nan 8.280 nan 0.000 0.542 43 W N -1.109 120.188 121.300 -0.005 0.000 4.977 43 W HA 0.167 4.827 4.660 -0.001 0.000 0.185 43 W C -0.522 176.035 176.519 0.063 0.000 1.003 43 W CA -0.010 57.362 57.345 0.045 0.000 1.997 43 W CB 0.178 29.730 29.460 0.154 0.000 0.712 43 W HN 0.280 nan 8.180 nan 0.000 1.014 44 Y N 1.989 122.792 120.300 0.839 0.000 2.301 44 Y HA 0.672 5.221 4.550 -0.001 0.000 0.328 44 Y C -0.183 176.028 175.900 0.517 0.000 1.242 44 Y CA -0.524 57.986 58.100 0.683 0.000 1.323 44 Y CB 0.042 38.826 38.460 0.541 0.000 1.266 44 Y HN -0.319 nan 8.280 nan 0.000 0.527 45 T N 1.510 116.397 114.554 0.556 0.000 2.885 45 T HA 0.517 4.867 4.350 -0.001 0.000 0.285 45 T C 1.036 175.872 174.700 0.227 0.000 1.019 45 T CA -0.251 62.049 62.100 0.334 0.000 1.010 45 T CB 1.720 70.707 68.868 0.197 0.000 1.022 45 T HN 0.904 nan 8.240 nan 0.000 0.466 46 A N 1.212 123.909 122.820 -0.205 0.000 2.148 46 A HA -0.069 4.250 4.320 -0.001 0.000 0.222 46 A C 1.005 178.397 177.584 -0.320 0.000 1.161 46 A CA 1.236 52.824 52.037 -0.748 0.000 0.662 46 A CB -0.480 17.869 19.000 -1.085 0.000 0.799 46 A HN 0.716 nan 8.150 nan 0.000 0.466 47 E N 0.353 120.511 120.200 -0.070 0.000 2.259 47 E HA 0.280 4.630 4.350 -0.001 0.000 0.281 47 E C -1.826 174.835 176.600 0.101 0.000 1.037 47 E CA -2.036 54.365 56.400 0.002 0.000 0.854 47 E CB 0.903 30.630 29.700 0.044 0.000 1.051 47 E HN 0.222 nan 8.360 nan 0.000 0.409 48 P HA 0.255 nan 4.420 nan 0.000 0.269 48 P C -0.122 177.218 177.300 0.068 0.000 1.478 48 P CA 0.534 63.674 63.100 0.067 0.000 1.045 48 P CB 0.275 32.031 31.700 0.094 0.000 1.512 49 A N 1.589 124.459 122.820 0.083 0.000 5.584 49 A HA -0.231 4.089 4.320 -0.001 0.000 0.303 49 A C 1.118 178.797 177.584 0.159 0.000 1.923 49 A CA 1.829 53.832 52.037 -0.056 0.000 0.717 49 A CB -2.326 16.529 19.000 -0.241 0.000 1.281 49 A HN 0.413 nan 8.150 nan 0.000 0.379 50 S N 0.215 115.986 115.700 0.117 0.000 2.561 50 S HA 0.427 4.896 4.470 -0.001 0.000 0.245 50 S C 0.267 174.998 174.600 0.219 0.000 1.001 50 S CA 1.056 59.400 58.200 0.240 0.000 1.002 50 S CB 0.530 63.830 63.200 0.166 0.000 0.805 50 S HN 1.099 nan 8.310 nan 0.000 0.458 51 D N 0.529 121.045 120.400 0.193 0.000 2.782 51 D HA -0.220 4.420 4.640 -0.001 0.000 0.231 51 D C 0.221 176.686 176.300 0.275 0.000 1.163 51 D CA 0.231 54.360 54.000 0.214 0.000 0.680 51 D CB -1.292 39.630 40.800 0.205 0.000 1.062 51 D HN 0.479 nan 8.370 nan 0.000 0.425 52 F N -0.064 119.947 119.950 0.103 0.000 2.307 52 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 52 F C 1.808 177.757 175.800 0.250 0.000 1.076 52 F CA 1.274 59.368 58.000 0.157 0.000 1.383 52 F CB -0.456 38.615 39.000 0.119 0.000 1.055 52 F HN 0.226 nan 8.300 nan 0.000 0.526 53 Y N -0.144 120.135 120.300 -0.035 0.000 2.207 53 Y HA -0.258 4.292 4.550 -0.001 0.000 0.287 53 Y C 2.068 177.821 175.900 -0.246 0.000 1.156 53 Y CA 2.543 60.383 58.100 -0.433 0.000 1.182 53 Y CB -0.547 37.486 38.460 -0.712 0.000 0.979 53 Y HN 0.243 nan 8.280 nan 0.000 0.521 54 H N -3.036 116.102 119.070 0.112 0.000 2.885 54 H HA 0.205 4.761 4.556 -0.001 0.000 0.260 54 H C 1.407 176.642 175.328 -0.155 0.000 0.985 54 H CA 0.191 56.221 56.048 -0.030 0.000 1.210 54 H CB 0.406 30.168 29.762 0.000 0.000 1.466 54 H HN -0.077 nan 8.280 nan 0.000 0.493 55 K N 0.738 121.166 120.400 0.047 0.000 2.404 55 K HA 0.030 4.350 4.320 -0.001 0.000 0.194 55 K C 0.839 177.367 176.600 -0.120 0.000 1.023 55 K CA 0.009 56.276 56.287 -0.032 0.000 1.094 55 K CB -0.213 32.338 32.500 0.085 0.000 0.841 55 K HN 0.442 nan 8.250 nan 0.000 0.523 56 Y N -0.805 119.286 120.300 -0.348 0.000 2.181 56 Y HA -0.151 4.398 4.550 -0.001 0.000 0.284 56 Y C -1.187 174.591 175.900 -0.204 0.000 1.179 56 Y CA 0.486 58.270 58.100 -0.526 0.000 1.179 56 Y CB -2.105 35.807 38.460 -0.913 0.000 0.973 56 Y HN 0.035 nan 8.280 nan 0.000 0.519 57 P HA -0.203 nan 4.420 nan 0.000 0.214 57 P C 1.988 179.203 177.300 -0.141 0.000 1.163 57 P CA 2.445 65.362 63.100 -0.306 0.000 0.889 57 P CB -0.083 31.390 31.700 -0.378 0.000 0.790 58 V N 0.026 119.863 119.914 -0.129 0.000 2.343 58 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 58 V C 1.957 177.995 176.094 -0.094 0.000 1.051 58 V CA 2.135 64.380 62.300 -0.092 0.000 1.036 58 V CB -1.341 30.432 31.823 -0.083 0.000 0.654 58 V HN 0.078 nan 8.190 nan 0.000 0.451 59 D N 0.429 120.800 120.400 -0.048 0.000 2.117 59 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 59 D C 2.117 178.391 176.300 -0.043 0.000 0.987 59 D CA 1.271 55.240 54.000 -0.052 0.000 0.829 59 D CB -0.233 40.670 40.800 0.172 0.000 0.961 59 D HN 0.355 nan 8.370 nan 0.000 0.460 60 L N 0.562 121.809 121.223 0.040 0.000 2.217 60 L HA -0.067 4.272 4.340 -0.001 0.000 0.211 60 L C 2.391 179.273 176.870 0.021 0.000 1.107 60 L CA 0.774 55.649 54.840 0.057 0.000 0.783 60 L CB -0.223 41.888 42.059 0.087 0.000 0.919 60 L HN 0.013 nan 8.230 nan 0.000 0.442 61 E N 0.755 120.947 120.200 -0.013 0.000 2.028 61 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 61 E C 2.363 178.953 176.600 -0.016 0.000 0.988 61 E CA 1.030 57.422 56.400 -0.013 0.000 0.799 61 E CB -0.003 29.678 29.700 -0.032 0.000 0.755 61 E HN 0.406 nan 8.360 nan 0.000 0.447 62 L N 0.577 121.752 121.223 -0.079 0.000 2.046 62 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 62 L C 2.681 179.576 176.870 0.042 0.000 1.077 62 L CA 1.185 55.977 54.840 -0.081 0.000 0.747 62 L CB -0.496 41.249 42.059 -0.524 0.000 0.896 62 L HN 0.234 nan 8.230 nan 0.000 0.432 63 A N -0.312 122.476 122.820 -0.054 0.000 1.873 63 A HA -0.311 4.009 4.320 -0.001 0.000 0.218 63 A C 2.292 179.979 177.584 0.171 0.000 1.193 63 A CA 2.177 54.287 52.037 0.122 0.000 0.629 63 A CB -0.704 18.352 19.000 0.092 0.000 0.826 63 A HN 0.489 nan 8.150 nan 0.000 0.447 64 E N -0.776 119.485 120.200 0.102 0.000 2.110 64 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 64 E C 1.944 178.567 176.600 0.038 0.000 0.988 64 E CA 1.457 57.904 56.400 0.079 0.000 0.804 64 E CB -0.099 29.645 29.700 0.074 0.000 0.745 64 E HN 0.573 nan 8.360 nan 0.000 0.458 65 E N -0.531 119.684 120.200 0.025 0.000 2.153 65 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 65 E C 0.567 177.020 176.600 -0.245 0.000 0.988 65 E CA 1.102 57.436 56.400 -0.110 0.000 0.811 65 E CB -0.076 29.550 29.700 -0.123 0.000 0.746 65 E HN 0.374 nan 8.360 nan 0.000 0.466 66 Y N -1.297 119.070 120.300 0.112 0.000 2.607 66 Y HA 0.349 4.899 4.550 -0.000 0.000 0.266 66 Y C 0.888 176.824 175.900 0.059 0.000 1.178 66 Y CA 0.150 58.311 58.100 0.102 0.000 1.226 66 Y CB 1.104 39.688 38.460 0.207 0.000 1.144 66 Y HN 0.071 nan 8.280 nan 0.000 0.528 67 G N 0.788 109.653 108.800 0.109 0.000 2.291 67 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.271 67 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.271 67 G C -0.755 174.193 174.900 0.080 0.000 1.099 67 G CA -0.009 45.106 45.100 0.025 0.000 0.919 67 G HN 0.113 nan 8.290 nan 0.000 0.496 68 V N 1.212 121.218 119.914 0.153 0.000 2.334 68 V HA 0.378 4.498 4.120 -0.001 0.000 0.281 68 V C 0.756 176.922 176.094 0.120 0.000 1.016 68 V CA -0.195 62.213 62.300 0.179 0.000 0.832 68 V CB 1.509 33.477 31.823 0.242 0.000 0.999 68 V HN 0.598 nan 8.190 nan 0.000 0.439 69 N N 3.118 121.872 118.700 0.090 0.000 2.230 69 N HA 0.276 5.015 4.740 -0.001 0.000 0.202 69 N C 0.237 175.772 175.510 0.042 0.000 1.119 69 N CA 0.216 53.312 53.050 0.077 0.000 0.851 69 N CB 1.224 39.761 38.487 0.083 0.000 0.990 69 N HN 0.632 nan 8.380 nan 0.000 0.497 70 G N -0.247 108.551 108.800 -0.004 0.000 2.733 70 G HA2 0.625 4.585 3.960 -0.001 0.000 0.297 70 G HA3 0.625 4.585 3.960 -0.001 0.000 0.297 70 G C -1.937 173.007 174.900 0.074 0.000 1.422 70 G CA -0.737 44.354 45.100 -0.015 0.000 0.942 70 G HN 0.211 nan 8.290 nan 0.000 0.510 71 I N 0.743 121.444 120.570 0.217 0.000 2.644 71 I HA 0.525 4.694 4.170 -0.001 0.000 0.291 71 I C -0.831 175.426 176.117 0.232 0.000 1.180 71 I CA -1.064 60.376 61.300 0.232 0.000 1.040 71 I CB 1.855 39.959 38.000 0.173 0.000 1.255 71 I HN 0.371 nan 8.210 nan 0.000 0.422 72 R N 8.092 128.697 120.500 0.174 0.000 2.254 72 R HA 0.647 4.987 4.340 -0.001 0.000 0.318 72 R C -0.803 175.560 176.300 0.105 0.000 1.031 72 R CA -0.388 55.748 56.100 0.060 0.000 0.905 72 R CB 1.242 31.499 30.300 -0.072 0.000 1.050 72 R HN 0.617 nan 8.270 nan 0.000 0.456 73 I N -1.541 119.109 120.570 0.134 0.000 2.894 73 I HA 0.519 4.689 4.170 -0.001 0.000 0.302 73 I C -0.468 175.762 176.117 0.188 0.000 1.188 73 I CA -1.019 60.385 61.300 0.174 0.000 1.014 73 I CB 2.557 40.723 38.000 0.278 0.000 1.242 73 I HN 0.456 nan 8.210 nan 0.000 0.430 74 S N 3.792 119.615 115.700 0.206 0.000 2.526 74 S HA 0.673 5.143 4.470 -0.001 0.000 0.293 74 S C -0.652 174.055 174.600 0.178 0.000 1.092 74 S CA -0.790 57.537 58.200 0.211 0.000 0.980 74 S CB 1.877 65.211 63.200 0.223 0.000 1.048 74 S HN 0.595 nan 8.310 nan 0.000 0.483 75 I N 2.447 123.061 120.570 0.074 0.000 2.396 75 I HA 0.272 4.442 4.170 -0.001 0.000 0.289 75 I C 0.826 177.015 176.117 0.119 0.000 1.056 75 I CA -0.480 60.666 61.300 -0.256 0.000 1.365 75 I CB 0.882 38.712 38.000 -0.284 0.000 1.407 75 I HN 0.925 nan 8.210 nan 0.000 0.509 76 A N 7.852 130.788 122.820 0.193 0.000 2.489 76 A HA -0.073 4.246 4.320 -0.001 0.000 0.289 76 A C 0.858 178.640 177.584 0.330 0.000 1.216 76 A CA -0.274 51.974 52.037 0.353 0.000 0.883 76 A CB -0.274 18.978 19.000 0.420 0.000 1.110 76 A HN 0.953 nan 8.150 nan 0.000 0.523 77 W N 3.313 124.658 121.300 0.075 0.000 2.304 77 W HA -0.286 4.374 4.660 -0.000 0.000 0.315 77 W C 2.069 178.512 176.519 -0.127 0.000 1.233 77 W CA 2.451 59.635 57.345 -0.267 0.000 1.261 77 W CB -0.990 28.292 29.460 -0.297 0.000 1.150 77 W HN 0.755 nan 8.180 nan 0.000 0.494 78 S N -0.096 115.678 115.700 0.124 0.000 2.469 78 S HA -0.173 4.297 4.470 -0.001 0.000 0.238 78 S C 1.919 176.576 174.600 0.096 0.000 0.998 78 S CA 1.240 59.451 58.200 0.018 0.000 0.957 78 S CB -0.458 62.730 63.200 -0.020 0.000 0.764 78 S HN 0.374 nan 8.310 nan 0.000 0.514 79 R N 0.300 120.906 120.500 0.177 0.000 2.055 79 R HA 0.140 4.480 4.340 -0.001 0.000 0.226 79 R C 1.922 178.331 176.300 0.181 0.000 1.135 79 R CA 1.116 57.336 56.100 0.200 0.000 0.959 79 R CB -0.321 30.197 30.300 0.364 0.000 0.854 79 R HN 0.324 nan 8.270 nan 0.000 0.431 80 I N -0.131 120.541 120.570 0.170 0.000 2.113 80 I HA -0.197 3.972 4.170 -0.001 0.000 0.238 80 I C 0.420 176.418 176.117 -0.198 0.000 1.070 80 I CA 1.446 62.718 61.300 -0.047 0.000 1.332 80 I CB -0.120 37.791 38.000 -0.149 0.000 1.044 80 I HN -0.029 nan 8.210 nan 0.000 0.402 81 F N 0.965 120.987 119.950 0.121 0.000 2.307 81 F HA 0.352 4.878 4.527 -0.001 0.000 0.369 81 F C -1.556 174.218 175.800 -0.042 0.000 1.076 81 F CA -3.071 54.954 58.000 0.043 0.000 1.149 81 F CB 0.300 39.392 39.000 0.153 0.000 1.410 81 F HN -0.056 nan 8.300 nan 0.000 0.481 82 P HA -0.180 nan 4.420 nan 0.000 0.218 82 P C 1.048 178.303 177.300 -0.075 0.000 1.152 82 P CA 2.011 65.118 63.100 0.012 0.000 0.857 82 P CB 0.173 31.880 31.700 0.012 0.000 0.787 83 T N -4.896 109.585 114.554 -0.121 0.000 3.023 83 T HA 0.444 4.794 4.350 -0.001 0.000 0.253 83 T C 1.442 175.965 174.700 -0.295 0.000 1.038 83 T CA 0.407 62.368 62.100 -0.231 0.000 0.962 83 T CB 0.564 69.241 68.868 -0.319 0.000 1.018 83 T HN 0.260 nan 8.240 nan 0.000 0.521 84 G N 1.547 110.213 108.800 -0.224 0.000 2.376 84 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.208 84 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.208 84 G C -0.167 174.816 174.900 0.138 0.000 1.032 84 G CA -0.099 44.885 45.100 -0.194 0.000 0.641 84 G HN 0.784 nan 8.290 nan 0.000 0.503 85 Y N -1.557 118.550 120.300 -0.322 0.000 2.521 85 Y HA 0.696 5.246 4.550 -0.001 0.000 0.332 85 Y C 0.584 176.215 175.900 -0.449 0.000 1.121 85 Y CA -0.423 57.355 58.100 -0.536 0.000 1.037 85 Y CB 1.204 39.344 38.460 -0.533 0.000 1.330 85 Y HN 1.756 nan 8.280 nan 0.000 0.452 86 G N 1.444 109.955 108.800 -0.482 0.000 2.253 86 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.190 86 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.190 86 G C -1.286 173.517 174.900 -0.162 0.000 1.274 86 G CA -0.639 44.291 45.100 -0.283 0.000 1.275 86 G HN 0.696 nan 8.290 nan 0.000 0.518 87 E N 0.766 120.936 120.200 -0.049 0.000 2.316 87 E HA 0.436 4.785 4.350 -0.001 0.000 0.275 87 E C 0.578 177.304 176.600 0.209 0.000 1.029 87 E CA -0.165 56.274 56.400 0.065 0.000 0.871 87 E CB 1.688 31.409 29.700 0.034 0.000 1.022 87 E HN 0.464 nan 8.360 nan 0.000 0.418 88 V N 3.313 123.374 119.914 0.245 0.000 2.811 88 V HA -0.052 4.067 4.120 -0.001 0.000 0.302 88 V C 0.729 176.876 176.094 0.088 0.000 1.063 88 V CA -0.412 61.976 62.300 0.147 0.000 1.088 88 V CB 0.625 32.431 31.823 -0.028 0.000 0.982 88 V HN 0.539 nan 8.190 nan 0.000 0.485 89 N N 3.051 121.782 118.700 0.052 0.000 2.645 89 N HA 0.107 4.847 4.740 -0.001 0.000 0.233 89 N C 1.012 176.581 175.510 0.099 0.000 1.058 89 N CA -0.236 52.861 53.050 0.079 0.000 0.942 89 N CB 0.660 39.197 38.487 0.083 0.000 1.210 89 N HN 0.575 nan 8.380 nan 0.000 0.512 90 E N 2.201 122.464 120.200 0.105 0.000 2.169 90 E HA -0.242 4.108 4.350 -0.001 0.000 0.202 90 E C 0.914 177.605 176.600 0.152 0.000 1.016 90 E CA 1.132 57.610 56.400 0.129 0.000 0.817 90 E CB 0.154 29.920 29.700 0.110 0.000 0.736 90 E HN 0.594 nan 8.360 nan 0.000 0.462 91 K N -0.112 120.370 120.400 0.137 0.000 2.057 91 K HA -0.084 4.236 4.320 -0.001 0.000 0.207 91 K C 2.172 178.893 176.600 0.203 0.000 1.049 91 K CA 1.124 57.504 56.287 0.154 0.000 0.931 91 K CB -0.711 31.867 32.500 0.129 0.000 0.714 91 K HN 0.247 nan 8.250 nan 0.000 0.440 92 G N 0.973 109.899 108.800 0.211 0.000 2.453 92 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.215 92 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.215 92 G C 1.692 176.835 174.900 0.405 0.000 1.201 92 G CA 0.915 46.193 45.100 0.296 0.000 0.784 92 G HN 0.120 nan 8.290 nan 0.000 0.545 93 V N 0.977 121.114 119.914 0.372 0.000 2.380 93 V HA -0.251 3.869 4.120 -0.001 0.000 0.251 93 V C 2.571 178.894 176.094 0.381 0.000 1.063 93 V CA 2.451 65.017 62.300 0.443 0.000 1.055 93 V CB -0.504 31.518 31.823 0.332 0.000 0.657 93 V HN 0.625 nan 8.190 nan 0.000 0.455 94 E N -0.142 120.244 120.200 0.309 0.000 2.012 94 E HA -0.300 4.049 4.350 -0.001 0.000 0.197 94 E C 2.124 178.810 176.600 0.143 0.000 1.007 94 E CA 1.955 58.513 56.400 0.263 0.000 0.816 94 E CB -0.330 29.483 29.700 0.188 0.000 0.762 94 E HN 0.493 nan 8.360 nan 0.000 0.451 95 F N 0.593 120.491 119.950 -0.087 0.000 2.085 95 F HA -0.317 4.209 4.527 -0.001 0.000 0.299 95 F C 1.868 177.315 175.800 -0.589 0.000 1.096 95 F CA 1.929 59.693 58.000 -0.393 0.000 1.227 95 F CB -0.752 37.945 39.000 -0.505 0.000 0.983 95 F HN 0.174 nan 8.300 nan 0.000 0.482 96 Y N -0.420 119.566 120.300 -0.522 0.000 2.274 96 Y HA -0.210 4.340 4.550 -0.001 0.000 0.290 96 Y C 2.851 178.104 175.900 -1.079 0.000 1.145 96 Y CA 1.797 59.280 58.100 -1.029 0.000 1.203 96 Y CB -1.042 36.937 38.460 -0.801 0.000 0.984 96 Y HN 0.208 nan 8.280 nan 0.000 0.533 97 H N 0.211 119.204 119.070 -0.129 0.000 2.357 97 H HA -0.073 4.483 4.556 -0.001 0.000 0.301 97 H C 1.916 177.149 175.328 -0.157 0.000 1.082 97 H CA 1.415 57.495 56.048 0.054 0.000 1.342 97 H CB 0.018 29.876 29.762 0.160 0.000 1.389 97 H HN 0.351 nan 8.280 nan 0.000 0.511 98 K N 0.312 120.617 120.400 -0.158 0.000 2.148 98 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 98 K C 2.186 178.559 176.600 -0.379 0.000 1.050 98 K CA 0.721 56.898 56.287 -0.184 0.000 0.942 98 K CB -0.083 32.337 32.500 -0.134 0.000 0.724 98 K HN 0.023 nan 8.250 nan 0.000 0.446 99 L N 0.573 121.237 121.223 -0.930 0.000 2.017 99 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 99 L C 1.815 178.458 176.870 -0.379 0.000 1.073 99 L CA 1.744 55.953 54.840 -1.051 0.000 0.745 99 L CB -0.421 40.729 42.059 -1.514 0.000 0.894 99 L HN -0.023 nan 8.230 nan 0.000 0.432 100 F N 0.277 120.095 119.950 -0.220 0.000 2.234 100 F HA 0.049 4.575 4.527 -0.001 0.000 0.299 100 F C 2.602 178.397 175.800 -0.008 0.000 1.087 100 F CA 0.556 58.489 58.000 -0.113 0.000 1.340 100 F CB -1.815 37.177 39.000 -0.014 0.000 1.031 100 F HN 0.211 nan 8.300 nan 0.000 0.500 101 A N -0.020 122.928 122.820 0.213 0.000 1.908 101 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 101 A C 2.288 179.947 177.584 0.125 0.000 1.181 101 A CA 1.685 53.836 52.037 0.190 0.000 0.627 101 A CB -0.613 18.459 19.000 0.120 0.000 0.818 101 A HN 0.238 nan 8.150 nan 0.000 0.445 102 E N -0.337 119.913 120.200 0.084 0.000 2.110 102 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 102 E C 2.235 178.861 176.600 0.044 0.000 0.988 102 E CA 1.207 57.652 56.400 0.075 0.000 0.804 102 E CB -0.597 29.182 29.700 0.132 0.000 0.745 102 E HN 0.670 nan 8.360 nan 0.000 0.458 103 C N 0.549 119.854 119.300 0.009 0.000 2.413 103 C HA -0.145 4.314 4.460 -0.001 0.000 0.278 103 C C 2.495 177.398 174.990 -0.144 0.000 1.224 103 C CA 0.710 59.681 59.018 -0.079 0.000 1.732 103 C CB -1.382 26.253 27.740 -0.174 0.000 2.050 103 C HN 0.499 nan 8.230 nan 0.000 0.463 104 H N 0.551 119.630 119.070 0.014 0.000 2.457 104 H HA -0.093 4.462 4.556 -0.000 0.000 0.294 104 H C 2.267 177.507 175.328 -0.147 0.000 1.064 104 H CA 1.363 57.373 56.048 -0.063 0.000 1.330 104 H CB -0.419 29.316 29.762 -0.045 0.000 1.395 104 H HN 0.592 nan 8.280 nan 0.000 0.541 105 K N 0.988 121.402 120.400 0.024 0.000 2.097 105 K HA -0.107 4.213 4.320 -0.001 0.000 0.205 105 K C 1.823 178.405 176.600 -0.030 0.000 1.050 105 K CA 0.722 56.997 56.287 -0.019 0.000 0.938 105 K CB 0.285 32.802 32.500 0.028 0.000 0.718 105 K HN 0.000 nan 8.250 nan 0.000 0.442 106 R N -0.038 120.476 120.500 0.023 0.000 2.276 106 R HA 0.008 4.348 4.340 -0.001 0.000 0.196 106 R C -0.151 176.309 176.300 0.267 0.000 0.961 106 R CA 0.608 56.789 56.100 0.134 0.000 1.024 106 R CB -0.553 29.803 30.300 0.093 0.000 0.940 106 R HN 0.428 nan 8.270 nan 0.000 0.480 107 H N -2.685 116.416 119.070 0.052 0.000 2.976 107 H HA -0.093 4.463 4.556 -0.001 0.000 0.273 107 H C -1.024 174.334 175.328 0.051 0.000 1.259 107 H CA 0.498 56.580 56.048 0.057 0.000 1.122 107 H CB -1.903 27.887 29.762 0.048 0.000 1.298 107 H HN -0.127 nan 8.280 nan 0.000 0.379 108 V N 1.088 121.067 119.914 0.108 0.000 2.304 108 V HA 0.162 4.281 4.120 -0.001 0.000 0.278 108 V C 0.601 176.717 176.094 0.037 0.000 1.018 108 V CA -0.741 61.612 62.300 0.088 0.000 0.814 108 V CB 1.445 33.324 31.823 0.093 0.000 1.021 108 V HN 0.330 nan 8.190 nan 0.000 0.440 109 E N 8.322 128.566 120.200 0.073 0.000 2.480 109 E HA 0.092 4.441 4.350 -0.001 0.000 0.258 109 E C -2.267 174.391 176.600 0.096 0.000 0.984 109 E CA -0.918 55.523 56.400 0.068 0.000 0.930 109 E CB 0.747 30.542 29.700 0.160 0.000 0.936 109 E HN 0.414 nan 8.360 nan 0.000 0.466 110 P HA 0.134 nan 4.420 nan 0.000 0.287 110 P C -1.155 176.094 177.300 -0.085 0.000 1.281 110 P CA -0.230 62.828 63.100 -0.070 0.000 0.781 110 P CB 0.386 31.899 31.700 -0.312 0.000 0.903 111 F N 2.735 122.587 119.950 -0.165 0.000 2.375 111 F HA 0.241 4.768 4.527 -0.001 0.000 0.361 111 F C 0.295 175.997 175.800 -0.164 0.000 1.117 111 F CA -0.675 57.209 58.000 -0.194 0.000 1.037 111 F CB 1.409 40.215 39.000 -0.323 0.000 1.192 111 F HN 0.025 nan 8.300 nan 0.000 0.452 112 V N 2.749 122.590 119.914 -0.121 0.000 2.483 112 V HA 0.571 4.691 4.120 -0.001 0.000 0.295 112 V C -0.012 176.193 176.094 0.184 0.000 1.035 112 V CA -0.619 61.647 62.300 -0.058 0.000 0.896 112 V CB 1.717 33.296 31.823 -0.408 0.000 0.986 112 V HN 0.702 nan 8.190 nan 0.000 0.447 113 T N 5.003 119.693 114.554 0.226 0.000 2.856 113 T HA 0.455 4.805 4.350 -0.001 0.000 0.283 113 T C 0.619 175.483 174.700 0.274 0.000 1.008 113 T CA -0.512 61.742 62.100 0.258 0.000 0.997 113 T CB 1.918 70.913 68.868 0.211 0.000 0.992 113 T HN 0.254 nan 8.240 nan 0.000 0.454 114 L N 1.056 122.422 121.223 0.238 0.000 2.102 114 L HA 0.133 4.472 4.340 -0.001 0.000 0.202 114 L C 1.137 178.331 176.870 0.540 0.000 1.076 114 L CA 1.619 56.610 54.840 0.250 0.000 0.761 114 L CB -0.825 41.171 42.059 -0.106 0.000 0.921 114 L HN 0.714 nan 8.230 nan 0.000 0.444 115 H N -0.040 119.278 119.070 0.413 0.000 2.551 115 H HA 0.171 4.726 4.556 -0.001 0.000 0.321 115 H C -0.840 174.709 175.328 0.367 0.000 1.028 115 H CA -0.291 56.079 56.048 0.537 0.000 1.215 115 H CB 0.662 30.864 29.762 0.732 0.000 1.414 115 H HN 0.111 nan 8.280 nan 0.000 0.480 116 H N 7.283 126.274 119.070 -0.132 0.000 2.429 116 H HA 0.075 4.630 4.556 -0.001 0.000 0.231 116 H C -0.288 174.813 175.328 -0.378 0.000 1.416 116 H CA -0.619 55.203 56.048 -0.377 0.000 1.443 116 H CB -0.498 29.173 29.762 -0.151 0.000 1.591 116 H HN 0.748 nan 8.280 nan 0.000 0.507 117 F N 0.116 119.936 119.950 -0.217 0.000 2.748 117 F HA -0.297 4.229 4.527 -0.000 0.000 0.370 117 F C 0.758 176.580 175.800 0.037 0.000 0.620 117 F CA 1.398 59.317 58.000 -0.135 0.000 1.233 117 F CB -2.025 36.839 39.000 -0.226 0.000 1.708 117 F HN 0.516 nan 8.300 nan 0.000 0.298 118 D N -0.402 120.135 120.400 0.228 0.000 3.072 118 D HA 0.320 4.960 4.640 -0.001 0.000 0.250 118 D C 0.162 176.694 176.300 0.387 0.000 1.304 118 D CA 0.016 54.185 54.000 0.282 0.000 0.861 118 D CB -0.242 40.719 40.800 0.269 0.000 1.062 118 D HN 0.156 nan 8.370 nan 0.000 0.481 119 T N 1.609 116.488 114.554 0.541 0.000 2.867 119 T HA 0.122 4.472 4.350 -0.001 0.000 0.297 119 T C -2.217 172.469 174.700 -0.023 0.000 0.989 119 T CA -1.053 61.270 62.100 0.373 0.000 1.159 119 T CB 0.661 69.799 68.868 0.450 0.000 0.928 119 T HN 0.123 nan 8.240 nan 0.000 0.538 120 P HA -0.023 nan 4.420 nan 0.000 0.258 120 P C 1.143 178.323 177.300 -0.200 0.000 1.172 120 P CA 0.025 62.916 63.100 -0.347 0.000 0.762 120 P CB 0.452 31.777 31.700 -0.626 0.000 0.764 121 E N 4.243 124.358 120.200 -0.142 0.000 2.132 121 E HA -0.368 3.981 4.350 -0.001 0.000 0.218 121 E C 1.784 178.351 176.600 -0.057 0.000 1.058 121 E CA 2.638 58.980 56.400 -0.098 0.000 0.882 121 E CB -0.484 29.160 29.700 -0.093 0.000 0.774 121 E HN 0.491 nan 8.360 nan 0.000 0.467 122 A N 0.938 123.705 122.820 -0.088 0.000 1.903 122 A HA -0.206 4.114 4.320 -0.001 0.000 0.219 122 A C 2.531 180.086 177.584 -0.049 0.000 1.191 122 A CA 1.947 53.943 52.037 -0.068 0.000 0.638 122 A CB -0.844 18.098 19.000 -0.097 0.000 0.823 122 A HN 0.353 nan 8.150 nan 0.000 0.451 123 L N -1.870 119.296 121.223 -0.095 0.000 2.156 123 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 123 L C 2.694 179.516 176.870 -0.079 0.000 1.095 123 L CA 1.232 56.018 54.840 -0.090 0.000 0.770 123 L CB -0.661 41.285 42.059 -0.189 0.000 0.914 123 L HN 0.597 nan 8.230 nan 0.000 0.439 124 H N 0.193 119.185 119.070 -0.130 0.000 2.293 124 H HA -0.139 4.417 4.556 -0.001 0.000 0.300 124 H C 2.299 177.587 175.328 -0.066 0.000 1.082 124 H CA 1.982 57.978 56.048 -0.087 0.000 1.308 124 H CB 0.344 30.043 29.762 -0.105 0.000 1.375 124 H HN 0.230 nan 8.280 nan 0.000 0.495 125 S N 0.716 116.460 115.700 0.074 0.000 2.382 125 S HA -0.172 4.297 4.470 -0.001 0.000 0.228 125 S C 1.581 176.168 174.600 -0.021 0.000 1.027 125 S CA 1.075 59.295 58.200 0.034 0.000 0.991 125 S CB -0.325 62.890 63.200 0.025 0.000 0.823 125 S HN 0.423 nan 8.310 nan 0.000 0.469 126 N N 0.924 119.604 118.700 -0.033 0.000 2.542 126 N HA 0.171 4.911 4.740 -0.001 0.000 0.234 126 N C 0.889 176.354 175.510 -0.075 0.000 1.257 126 N CA 0.606 53.633 53.050 -0.038 0.000 0.883 126 N CB -0.703 37.776 38.487 -0.012 0.000 1.197 126 N HN 0.397 nan 8.380 nan 0.000 0.488 127 G N 0.107 108.847 108.800 -0.099 0.000 2.217 127 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.246 127 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.246 127 G C 0.434 175.237 174.900 -0.162 0.000 0.990 127 G CA 0.453 45.480 45.100 -0.121 0.000 0.627 127 G HN 0.648 nan 8.290 nan 0.000 0.522 128 D N -0.764 119.501 120.400 -0.224 0.000 3.996 128 D HA -0.252 4.387 4.640 -0.001 0.000 0.140 128 D C 0.622 176.745 176.300 -0.296 0.000 0.829 128 D CA 2.221 56.071 54.000 -0.251 0.000 1.111 128 D CB -1.382 39.256 40.800 -0.270 0.000 0.516 128 D HN 0.716 nan 8.370 nan 0.000 0.517 129 F N 0.251 120.164 119.950 -0.062 0.000 2.750 129 F HA 0.418 4.945 4.527 -0.001 0.000 0.297 129 F C 1.186 176.948 175.800 -0.064 0.000 1.138 129 F CA -0.187 57.779 58.000 -0.057 0.000 1.346 129 F CB 0.297 39.235 39.000 -0.103 0.000 0.965 129 F HN 0.112 nan 8.300 nan 0.000 0.514 130 L N -0.500 120.726 121.223 0.005 0.000 2.766 130 L HA 0.236 4.576 4.340 -0.001 0.000 0.242 130 L C 0.269 177.098 176.870 -0.069 0.000 1.136 130 L CA 0.041 54.846 54.840 -0.059 0.000 0.933 130 L CB 0.127 42.087 42.059 -0.165 0.000 1.241 130 L HN -0.008 nan 8.230 nan 0.000 0.522 131 N N 0.638 119.288 118.700 -0.083 0.000 2.524 131 N HA 0.211 4.951 4.740 -0.001 0.000 0.261 131 N C 0.787 176.235 175.510 -0.103 0.000 0.998 131 N CA -0.318 52.676 53.050 -0.092 0.000 0.915 131 N CB 1.053 39.478 38.487 -0.104 0.000 1.187 131 N HN -0.042 nan 8.380 nan 0.000 0.507 132 R N 1.408 121.864 120.500 -0.074 0.000 2.211 132 R HA -0.163 4.177 4.340 -0.001 0.000 0.240 132 R C 1.293 177.513 176.300 -0.132 0.000 1.144 132 R CA 1.171 57.227 56.100 -0.074 0.000 0.992 132 R CB 0.149 30.421 30.300 -0.048 0.000 0.869 132 R HN 0.697 nan 8.270 nan 0.000 0.462 133 E N 1.077 121.178 120.200 -0.164 0.000 2.077 133 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 133 E C 1.224 177.547 176.600 -0.461 0.000 0.989 133 E CA 1.278 57.516 56.400 -0.270 0.000 0.800 133 E CB 0.068 29.654 29.700 -0.190 0.000 0.746 133 E HN 0.257 nan 8.360 nan 0.000 0.452 134 N N 0.626 119.149 118.700 -0.296 0.000 2.364 134 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 134 N C 1.773 177.168 175.510 -0.192 0.000 1.022 134 N CA 0.836 53.741 53.050 -0.242 0.000 0.883 134 N CB -0.175 38.134 38.487 -0.297 0.000 0.965 134 N HN 0.347 nan 8.380 nan 0.000 0.438 135 I N 0.919 121.408 120.570 -0.135 0.000 2.361 135 I HA -0.199 3.971 4.170 -0.001 0.000 0.251 135 I C 1.749 177.932 176.117 0.111 0.000 1.133 135 I CA 0.983 62.338 61.300 0.091 0.000 1.413 135 I CB -0.134 37.925 38.000 0.099 0.000 1.073 135 I HN 0.058 nan 8.210 nan 0.000 0.424 136 E N 0.197 120.338 120.200 -0.098 0.000 2.072 136 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 136 E C 2.129 178.727 176.600 -0.004 0.000 0.985 136 E CA 1.215 57.554 56.400 -0.102 0.000 0.801 136 E CB -0.645 28.911 29.700 -0.240 0.000 0.750 136 E HN 0.563 nan 8.360 nan 0.000 0.452 137 H N -0.257 118.858 119.070 0.076 0.000 2.422 137 H HA -0.111 4.444 4.556 -0.001 0.000 0.298 137 H C 1.950 177.441 175.328 0.272 0.000 1.098 137 H CA 0.988 57.138 56.048 0.170 0.000 1.315 137 H CB -0.634 29.258 29.762 0.217 0.000 1.382 137 H HN 0.165 nan 8.280 nan 0.000 0.523 138 F N 1.072 121.177 119.950 0.258 0.000 2.128 138 F HA -0.091 4.436 4.527 -0.000 0.000 0.295 138 F C 2.184 177.961 175.800 -0.038 0.000 1.100 138 F CA 0.479 58.497 58.000 0.031 0.000 1.260 138 F CB -0.481 38.711 39.000 0.320 0.000 1.009 138 F HN -0.083 nan 8.300 nan 0.000 0.476 139 I N 1.111 121.696 120.570 0.025 0.000 2.248 139 I HA -0.322 3.848 4.170 -0.001 0.000 0.248 139 I C 2.058 178.076 176.117 -0.165 0.000 1.107 139 I CA 1.486 62.734 61.300 -0.086 0.000 1.373 139 I CB -0.907 37.122 38.000 0.049 0.000 1.055 139 I HN 0.169 nan 8.210 nan 0.000 0.418 140 D N -0.971 119.393 120.400 -0.059 0.000 2.077 140 D HA -0.238 4.401 4.640 -0.001 0.000 0.196 140 D C 2.099 178.402 176.300 0.005 0.000 0.986 140 D CA 1.280 55.286 54.000 0.010 0.000 0.829 140 D CB -0.641 40.207 40.800 0.080 0.000 0.983 140 D HN 0.336 nan 8.370 nan 0.000 0.453 141 Y N 1.982 122.162 120.300 -0.199 0.000 2.114 141 Y HA -0.271 4.278 4.550 -0.001 0.000 0.282 141 Y C 2.166 177.736 175.900 -0.550 0.000 1.165 141 Y CA 1.700 59.635 58.100 -0.275 0.000 1.148 141 Y CB -0.742 37.197 38.460 -0.868 0.000 0.972 141 Y HN -0.047 nan 8.280 nan 0.000 0.504 142 A N 0.670 122.800 122.820 -1.151 0.000 1.877 142 A HA -0.066 4.254 4.320 -0.001 0.000 0.216 142 A C 2.546 179.213 177.584 -1.529 0.000 1.186 142 A CA 2.246 53.308 52.037 -1.625 0.000 0.620 142 A CB -1.613 16.529 19.000 -1.430 0.000 0.822 142 A HN 0.659 nan 8.150 nan 0.000 0.443 143 A N -0.795 121.622 122.820 -0.671 0.000 1.892 143 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 143 A C 2.082 179.555 177.584 -0.184 0.000 1.188 143 A CA 1.892 53.806 52.037 -0.205 0.000 0.631 143 A CB -0.884 18.102 19.000 -0.024 0.000 0.822 143 A HN 0.807 nan 8.150 nan 0.000 0.447 144 F N 0.645 120.444 119.950 -0.251 0.000 2.026 144 F HA -0.273 4.254 4.527 -0.001 0.000 0.296 144 F C 2.530 178.196 175.800 -0.223 0.000 1.133 144 F CA 1.943 59.870 58.000 -0.123 0.000 1.188 144 F CB -0.949 38.084 39.000 0.055 0.000 0.968 144 F HN 0.300 nan 8.300 nan 0.000 0.476 145 C N 0.649 119.653 119.300 -0.493 0.000 2.403 145 C HA -0.211 4.248 4.460 -0.001 0.000 0.277 145 C C 2.685 177.435 174.990 -0.399 0.000 1.248 145 C CA 0.780 59.534 59.018 -0.440 0.000 1.762 145 C CB -1.846 25.527 27.740 -0.611 0.000 2.014 145 C HN 0.543 nan 8.230 nan 0.000 0.486 146 F N 1.243 120.792 119.950 -0.669 0.000 2.102 146 F HA -0.097 4.429 4.527 -0.001 0.000 0.298 146 F C 2.413 177.868 175.800 -0.576 0.000 1.105 146 F CA 1.923 59.451 58.000 -0.787 0.000 1.239 146 F CB -1.291 37.161 39.000 -0.913 0.000 0.991 146 F HN 0.205 nan 8.300 nan 0.000 0.474 147 E N 0.415 120.501 120.200 -0.190 0.000 2.072 147 E HA -0.216 4.134 4.350 -0.001 0.000 0.191 147 E C 2.078 178.564 176.600 -0.189 0.000 0.985 147 E CA 1.426 57.785 56.400 -0.068 0.000 0.801 147 E CB -0.170 29.501 29.700 -0.048 0.000 0.750 147 E HN 0.280 nan 8.360 nan 0.000 0.452 148 E N -0.883 119.027 120.200 -0.484 0.000 2.072 148 E HA -0.048 4.302 4.350 -0.001 0.000 0.190 148 E C -0.316 176.001 176.600 -0.471 0.000 0.982 148 E CA 0.721 56.739 56.400 -0.635 0.000 0.803 148 E CB -0.080 28.868 29.700 -1.253 0.000 0.755 148 E HN 0.198 nan 8.360 nan 0.000 0.453 149 F N 0.364 120.366 119.950 0.087 0.000 2.303 149 F HA 0.331 4.858 4.527 -0.000 0.000 0.368 149 F C -1.841 174.092 175.800 0.221 0.000 1.105 149 F CA -2.364 55.790 58.000 0.258 0.000 1.153 149 F CB 1.605 40.837 39.000 0.388 0.000 1.362 149 F HN 0.013 nan 8.300 nan 0.000 0.511 150 P HA 0.035 nan 4.420 nan 0.000 0.239 150 P C 0.864 178.216 177.300 0.087 0.000 1.188 150 P CA 0.581 63.778 63.100 0.162 0.000 0.794 150 P CB 0.350 32.114 31.700 0.106 0.000 0.937 151 E N -0.548 119.734 120.200 0.136 0.000 2.204 151 E HA -0.053 4.297 4.350 -0.001 0.000 0.195 151 E C 0.357 176.923 176.600 -0.056 0.000 0.990 151 E CA 0.601 57.044 56.400 0.071 0.000 0.821 151 E CB -0.392 29.483 29.700 0.293 0.000 0.750 151 E HN 0.053 nan 8.360 nan 0.000 0.477 152 V N 2.065 121.805 119.914 -0.291 0.000 2.432 152 V HA 0.023 4.143 4.120 -0.001 0.000 0.271 152 V C 0.816 176.595 176.094 -0.525 0.000 1.046 152 V CA 0.072 61.977 62.300 -0.660 0.000 0.945 152 V CB 1.241 32.236 31.823 -1.381 0.000 0.992 152 V HN 0.154 nan 8.190 nan 0.000 0.471 153 N N 3.185 121.586 118.700 -0.498 0.000 2.415 153 N HA 0.078 4.818 4.740 -0.001 0.000 0.174 153 N C -0.246 174.748 175.510 -0.859 0.000 1.048 153 N CA 0.177 52.900 53.050 -0.545 0.000 0.895 153 N CB 0.273 38.450 38.487 -0.516 0.000 1.036 153 N HN 0.645 nan 8.380 nan 0.000 0.449 154 Y N -0.245 119.681 120.300 -0.623 0.000 2.334 154 Y HA 0.374 4.923 4.550 -0.001 0.000 0.336 154 Y C -1.036 174.580 175.900 -0.474 0.000 0.960 154 Y CA -0.808 56.923 58.100 -0.616 0.000 1.164 154 Y CB 0.436 38.126 38.460 -1.284 0.000 1.155 154 Y HN -0.005 nan 8.280 nan 0.000 0.478 155 W N 1.634 122.930 121.300 -0.006 0.000 2.706 155 W HA 0.706 5.365 4.660 -0.001 0.000 0.346 155 W C -0.688 175.907 176.519 0.127 0.000 1.071 155 W CA -0.630 56.722 57.345 0.011 0.000 1.206 155 W CB 2.353 31.763 29.460 -0.083 0.000 1.413 155 W HN 0.223 nan 8.180 nan 0.000 0.542 156 T N 0.376 115.203 114.554 0.456 0.000 2.952 156 T HA 0.179 4.528 4.350 -0.001 0.000 0.305 156 T C 0.684 175.490 174.700 0.177 0.000 1.064 156 T CA -0.576 61.684 62.100 0.266 0.000 1.008 156 T CB 1.640 70.673 68.868 0.275 0.000 1.078 156 T HN 0.517 nan 8.240 nan 0.000 0.459 157 T N 0.440 115.044 114.554 0.084 0.000 2.697 157 T HA 0.259 4.608 4.350 -0.001 0.000 0.244 157 T C 0.288 174.903 174.700 -0.141 0.000 1.090 157 T CA 0.663 62.735 62.100 -0.047 0.000 1.255 157 T CB -0.395 68.458 68.868 -0.025 0.000 0.931 157 T HN 0.356 nan 8.240 nan 0.000 0.406 158 F N 2.442 122.454 119.950 0.104 0.000 2.450 158 F HA 0.580 5.107 4.527 -0.000 0.000 0.332 158 F C 0.168 175.930 175.800 -0.063 0.000 1.093 158 F CA -1.791 56.223 58.000 0.023 0.000 1.003 158 F CB 1.115 40.068 39.000 -0.078 0.000 1.151 158 F HN 0.342 nan 8.300 nan 0.000 0.474 159 N N 1.607 120.333 118.700 0.044 0.000 2.425 159 N HA 0.237 4.976 4.740 -0.001 0.000 0.268 159 N C -1.040 174.335 175.510 -0.226 0.000 0.991 159 N CA -0.250 52.681 53.050 -0.199 0.000 0.931 159 N CB 0.560 38.719 38.487 -0.548 0.000 1.130 159 N HN 0.674 nan 8.380 nan 0.000 0.493 160 E N 2.553 122.720 120.200 -0.054 0.000 2.291 160 E HA -0.230 4.119 4.350 -0.001 0.000 0.181 160 E C 0.399 177.066 176.600 0.112 0.000 1.480 160 E CA 0.145 56.586 56.400 0.067 0.000 0.674 160 E CB -1.016 28.769 29.700 0.141 0.000 1.108 160 E HN 0.698 nan 8.360 nan 0.000 0.357 161 I N -0.150 120.446 120.570 0.043 0.000 2.286 161 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 161 I C 2.551 178.620 176.117 -0.079 0.000 1.115 161 I CA 1.589 62.849 61.300 -0.068 0.000 1.392 161 I CB -0.360 37.544 38.000 -0.159 0.000 1.065 161 I HN 0.493 nan 8.210 nan 0.000 0.418 162 G N 1.670 110.383 108.800 -0.146 0.000 2.453 162 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.215 162 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.215 162 G C -0.588 174.354 174.900 0.071 0.000 1.201 162 G CA 0.711 45.727 45.100 -0.139 0.000 0.784 162 G HN 0.282 nan 8.290 nan 0.000 0.545 163 P HA -0.042 nan 4.420 nan 0.000 0.218 163 P C 1.875 179.202 177.300 0.046 0.000 1.148 163 P CA 0.697 63.842 63.100 0.075 0.000 0.822 163 P CB -0.059 31.734 31.700 0.154 0.000 0.784 164 I N -1.360 119.294 120.570 0.141 0.000 2.361 164 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 164 I C 2.334 178.442 176.117 -0.015 0.000 1.133 164 I CA 1.723 63.091 61.300 0.113 0.000 1.413 164 I CB -0.970 37.133 38.000 0.171 0.000 1.073 164 I HN 0.045 nan 8.210 nan 0.000 0.424 165 G N 0.267 109.105 108.800 0.063 0.000 2.395 165 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.214 165 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.214 165 G C 1.238 176.064 174.900 -0.122 0.000 1.177 165 G CA 0.916 46.031 45.100 0.026 0.000 0.794 165 G HN 0.359 nan 8.290 nan 0.000 0.532 166 D N 0.288 120.632 120.400 -0.092 0.000 2.116 166 D HA -0.055 4.585 4.640 -0.001 0.000 0.193 166 D C 2.521 178.649 176.300 -0.286 0.000 0.998 166 D CA 1.818 55.739 54.000 -0.131 0.000 0.836 166 D CB -0.463 40.319 40.800 -0.030 0.000 0.951 166 D HN 0.235 nan 8.370 nan 0.000 0.449 167 G N -1.031 107.482 108.800 -0.477 0.000 2.408 167 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.215 167 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.215 167 G C 1.534 176.079 174.900 -0.592 0.000 1.156 167 G CA 0.379 45.000 45.100 -0.798 0.000 0.793 167 G HN 0.320 nan 8.290 nan 0.000 0.535 168 Q N -1.087 118.372 119.800 -0.569 0.000 2.250 168 Q HA 0.065 4.405 4.340 -0.001 0.000 0.200 168 Q C 1.214 176.728 176.000 -0.809 0.000 0.941 168 Q CA 0.835 56.177 55.803 -0.768 0.000 0.872 168 Q CB 0.178 28.250 28.738 -1.110 0.000 0.965 168 Q HN 0.684 nan 8.270 nan 0.000 0.480 169 Y N -1.953 118.238 120.300 -0.183 0.000 2.527 169 Y HA 0.192 4.741 4.550 -0.001 0.000 0.247 169 Y C 1.038 176.813 175.900 -0.208 0.000 1.138 169 Y CA -0.316 57.672 58.100 -0.186 0.000 1.228 169 Y CB 0.465 38.817 38.460 -0.180 0.000 1.252 169 Y HN 0.001 nan 8.280 nan 0.000 0.531 170 L N -1.228 119.912 121.223 -0.139 0.000 2.590 170 L HA 0.319 4.659 4.340 -0.001 0.000 0.181 170 L C 1.302 178.055 176.870 -0.195 0.000 1.134 170 L CA 0.922 55.681 54.840 -0.135 0.000 0.850 170 L CB -0.170 41.835 42.059 -0.090 0.000 1.172 170 L HN -0.159 nan 8.230 nan 0.000 0.498 171 V N 1.153 120.966 119.914 -0.167 0.000 3.499 171 V HA 0.288 4.408 4.120 -0.001 0.000 0.308 171 V C 1.699 177.669 176.094 -0.206 0.000 1.319 171 V CA 0.660 62.877 62.300 -0.138 0.000 1.194 171 V CB -0.874 30.914 31.823 -0.059 0.000 1.072 171 V HN 0.701 nan 8.190 nan 0.000 0.426 172 G N 1.106 109.756 108.800 -0.250 0.000 2.271 172 G HA2 -0.451 3.509 3.960 -0.001 0.000 0.283 172 G HA3 -0.451 3.509 3.960 -0.001 0.000 0.283 172 G C 1.251 176.059 174.900 -0.153 0.000 1.002 172 G CA 1.578 46.558 45.100 -0.200 0.000 0.701 172 G HN 0.521 nan 8.290 nan 0.000 0.528 173 K N -0.714 119.524 120.400 -0.271 0.000 1.969 173 K HA -0.044 4.276 4.320 -0.001 0.000 0.223 173 K C 1.071 177.641 176.600 -0.049 0.000 1.048 173 K CA 1.301 57.442 56.287 -0.243 0.000 0.983 173 K CB -0.205 31.890 32.500 -0.675 0.000 0.738 173 K HN 0.214 nan 8.250 nan 0.000 0.446 174 F N 1.613 121.363 119.950 -0.332 0.000 2.444 174 F HA 0.196 4.723 4.527 -0.000 0.000 0.331 174 F C -1.738 173.452 175.800 -1.016 0.000 1.167 174 F CA -3.176 54.392 58.000 -0.720 0.000 1.262 174 F CB -0.576 37.998 39.000 -0.710 0.000 1.196 174 F HN 0.220 nan 8.300 nan 0.000 0.583 175 P HA 0.071 nan 4.420 nan 0.000 0.271 175 P C -2.162 174.857 177.300 -0.468 0.000 1.218 175 P CA -1.247 61.212 63.100 -1.068 0.000 0.780 175 P CB 0.692 31.683 31.700 -1.181 0.000 0.901 176 P HA -0.169 nan 4.420 nan 0.000 0.215 176 P C 0.876 178.084 177.300 -0.154 0.000 1.153 176 P CA 2.133 65.160 63.100 -0.121 0.000 0.853 176 P CB -0.344 31.365 31.700 0.015 0.000 0.788 177 G N -0.419 108.258 108.800 -0.205 0.000 2.173 177 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.174 177 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.174 177 G C -0.046 174.807 174.900 -0.079 0.000 1.025 177 G CA -0.428 44.608 45.100 -0.107 0.000 0.706 177 G HN 0.274 nan 8.290 nan 0.000 0.499 178 I N -0.130 120.382 120.570 -0.096 0.000 2.764 178 I HA 0.432 4.602 4.170 -0.001 0.000 0.294 178 I C 0.704 176.724 176.117 -0.161 0.000 1.045 178 I CA -0.038 61.225 61.300 -0.061 0.000 1.340 178 I CB 1.123 39.166 38.000 0.073 0.000 1.436 178 I HN -0.029 nan 8.210 nan 0.000 0.567 179 K N 3.918 124.183 120.400 -0.226 0.000 2.427 179 K HA 0.355 4.675 4.320 -0.001 0.000 0.252 179 K C -1.176 175.162 176.600 -0.437 0.000 0.931 179 K CA -0.691 55.286 56.287 -0.517 0.000 0.793 179 K CB 1.708 33.709 32.500 -0.830 0.000 1.211 179 K HN 0.454 nan 8.250 nan 0.000 0.426 180 Y N -1.183 119.085 120.300 -0.053 0.000 4.604 180 Y HA -0.290 4.260 4.550 -0.001 0.000 0.230 180 Y C 0.010 175.860 175.900 -0.084 0.000 1.066 180 Y CA 0.390 58.443 58.100 -0.078 0.000 1.990 180 Y CB -2.039 36.379 38.460 -0.071 0.000 1.619 180 Y HN 0.695 nan 8.280 nan 0.000 0.649 181 D N 1.012 121.412 120.400 -0.001 0.000 2.522 181 D HA 0.323 4.963 4.640 -0.001 0.000 0.218 181 D C 0.932 177.165 176.300 -0.112 0.000 1.149 181 D CA -0.156 53.820 54.000 -0.040 0.000 0.981 181 D CB 0.125 40.899 40.800 -0.044 0.000 1.041 181 D HN 0.280 nan 8.370 nan 0.000 0.518 182 L N 2.018 123.162 121.223 -0.132 0.000 2.275 182 L HA -0.075 4.264 4.340 -0.001 0.000 0.215 182 L C 2.534 179.260 176.870 -0.241 0.000 1.119 182 L CA 0.952 55.633 54.840 -0.265 0.000 0.790 182 L CB -0.220 41.712 42.059 -0.212 0.000 0.919 182 L HN 0.318 nan 8.230 nan 0.000 0.443 183 A N -0.393 122.356 122.820 -0.118 0.000 1.930 183 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 183 A C 2.386 179.872 177.584 -0.163 0.000 1.175 183 A CA 1.505 53.496 52.037 -0.077 0.000 0.627 183 A CB -0.287 18.671 19.000 -0.069 0.000 0.815 183 A HN 0.333 nan 8.150 nan 0.000 0.443 184 K N -0.468 119.787 120.400 -0.242 0.000 2.025 184 K HA -0.036 4.284 4.320 -0.001 0.000 0.207 184 K C 1.903 178.282 176.600 -0.368 0.000 1.049 184 K CA 1.274 57.330 56.287 -0.385 0.000 0.933 184 K CB -0.346 31.813 32.500 -0.569 0.000 0.714 184 K HN 0.277 nan 8.250 nan 0.000 0.438 185 V N 1.075 120.764 119.914 -0.375 0.000 2.282 185 V HA -0.271 3.849 4.120 -0.001 0.000 0.249 185 V C 2.076 177.612 176.094 -0.929 0.000 1.057 185 V CA 1.856 63.793 62.300 -0.605 0.000 1.032 185 V CB -0.548 30.808 31.823 -0.779 0.000 0.645 185 V HN 0.158 nan 8.190 nan 0.000 0.447 186 F N -0.096 119.479 119.950 -0.625 0.000 2.146 186 F HA -0.134 4.393 4.527 -0.001 0.000 0.298 186 F C 2.545 178.126 175.800 -0.366 0.000 1.096 186 F CA 1.660 59.224 58.000 -0.726 0.000 1.275 186 F CB -0.903 37.662 39.000 -0.724 0.000 1.008 186 F HN 0.136 nan 8.300 nan 0.000 0.480 187 Q N 0.020 119.776 119.800 -0.074 0.000 2.084 187 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 187 Q C 2.503 178.537 176.000 0.058 0.000 0.978 187 Q CA 1.982 57.794 55.803 0.016 0.000 0.844 187 Q CB -0.661 28.032 28.738 -0.075 0.000 0.898 187 Q HN 0.224 nan 8.270 nan 0.000 0.426 188 S N -1.066 114.606 115.700 -0.047 0.000 2.356 188 S HA -0.191 4.279 4.470 -0.001 0.000 0.223 188 S C 1.633 176.343 174.600 0.182 0.000 1.032 188 S CA 1.277 59.512 58.200 0.058 0.000 1.005 188 S CB -0.335 62.934 63.200 0.116 0.000 0.867 188 S HN 0.569 nan 8.310 nan 0.000 0.449 189 H N -0.138 119.004 119.070 0.120 0.000 2.321 189 H HA -0.038 4.518 4.556 -0.001 0.000 0.300 189 H C 2.087 177.615 175.328 0.333 0.000 1.087 189 H CA 1.884 58.066 56.048 0.225 0.000 1.319 189 H CB -1.192 28.817 29.762 0.412 0.000 1.379 189 H HN 0.564 nan 8.280 nan 0.000 0.501 190 H N 1.004 120.366 119.070 0.487 0.000 2.267 190 H HA -0.106 4.449 4.556 -0.001 0.000 0.297 190 H C 1.846 177.270 175.328 0.161 0.000 1.080 190 H CA 1.934 58.189 56.048 0.345 0.000 1.278 190 H CB -0.120 29.828 29.762 0.310 0.000 1.365 190 H HN 0.174 nan 8.280 nan 0.000 0.489 191 N N -0.041 118.700 118.700 0.068 0.000 2.069 191 N HA -0.147 4.593 4.740 -0.001 0.000 0.191 191 N C 2.103 177.627 175.510 0.022 0.000 1.031 191 N CA 1.628 54.681 53.050 0.006 0.000 0.852 191 N CB -0.368 38.180 38.487 0.101 0.000 1.018 191 N HN 0.424 nan 8.380 nan 0.000 0.423 192 M N -0.634 118.922 119.600 -0.074 0.000 2.213 192 M HA -0.080 4.400 4.480 -0.001 0.000 0.263 192 M C 1.889 178.046 176.300 -0.239 0.000 1.062 192 M CA 1.076 56.086 55.300 -0.484 0.000 1.105 192 M CB -0.125 31.984 32.600 -0.819 0.000 1.385 192 M HN 0.142 nan 8.290 nan 0.000 0.417 193 M N -0.229 119.342 119.600 -0.048 0.000 2.193 193 M HA -0.078 4.401 4.480 -0.001 0.000 0.265 193 M C 1.838 178.201 176.300 0.105 0.000 1.071 193 M CA 1.328 56.667 55.300 0.065 0.000 1.140 193 M CB -0.203 32.441 32.600 0.072 0.000 1.369 193 M HN -0.040 nan 8.290 nan 0.000 0.423 194 V N -0.429 119.473 119.914 -0.019 0.000 2.287 194 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 194 V C 2.289 178.433 176.094 0.084 0.000 1.053 194 V CA 2.212 64.482 62.300 -0.050 0.000 1.027 194 V CB -0.909 30.800 31.823 -0.190 0.000 0.646 194 V HN 0.538 nan 8.190 nan 0.000 0.447 195 S N -0.781 115.027 115.700 0.180 0.000 2.380 195 S HA -0.334 4.135 4.470 -0.001 0.000 0.229 195 S C 1.890 176.728 174.600 0.397 0.000 1.043 195 S CA 2.297 60.711 58.200 0.356 0.000 1.038 195 S CB -0.537 62.951 63.200 0.480 0.000 0.872 195 S HN 0.922 nan 8.310 nan 0.000 0.456 196 H N 1.452 120.708 119.070 0.311 0.000 2.357 196 H HA 0.171 4.727 4.556 -0.000 0.000 0.301 196 H C 2.057 177.441 175.328 0.093 0.000 1.082 196 H CA 1.495 57.662 56.048 0.198 0.000 1.342 196 H CB -0.625 29.267 29.762 0.216 0.000 1.389 196 H HN 0.271 nan 8.280 nan 0.000 0.511 197 A N 1.045 123.773 122.820 -0.154 0.000 1.940 197 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 197 A C 2.415 179.905 177.584 -0.156 0.000 1.176 197 A CA 1.680 53.569 52.037 -0.245 0.000 0.631 197 A CB -0.489 18.471 19.000 -0.068 0.000 0.814 197 A HN 0.547 nan 8.150 nan 0.000 0.446 198 R N -0.761 119.715 120.500 -0.040 0.000 2.148 198 R HA 0.070 4.410 4.340 -0.001 0.000 0.223 198 R C 2.412 178.720 176.300 0.013 0.000 1.088 198 R CA 0.895 56.996 56.100 0.002 0.000 0.985 198 R CB -0.326 30.003 30.300 0.049 0.000 0.880 198 R HN 0.515 nan 8.270 nan 0.000 0.451 199 A N 0.711 123.543 122.820 0.020 0.000 1.872 199 A HA -0.084 4.236 4.320 -0.001 0.000 0.214 199 A C 2.271 179.873 177.584 0.030 0.000 1.187 199 A CA 1.152 53.228 52.037 0.065 0.000 0.614 199 A CB -0.474 18.568 19.000 0.071 0.000 0.826 199 A HN 0.089 nan 8.150 nan 0.000 0.442 200 V N 0.502 120.326 119.914 -0.151 0.000 2.490 200 V HA -0.241 3.879 4.120 -0.001 0.000 0.250 200 V C 2.526 178.570 176.094 -0.083 0.000 1.061 200 V CA 2.240 64.425 62.300 -0.192 0.000 1.064 200 V CB -0.636 30.965 31.823 -0.370 0.000 0.670 200 V HN 0.539 nan 8.190 nan 0.000 0.461 201 K N -0.142 120.216 120.400 -0.069 0.000 2.062 201 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 201 K C 2.194 178.795 176.600 0.002 0.000 1.051 201 K CA 1.303 57.572 56.287 -0.031 0.000 0.941 201 K CB -0.247 32.234 32.500 -0.033 0.000 0.719 201 K HN 0.377 nan 8.250 nan 0.000 0.440 202 L N 0.813 122.053 121.223 0.028 0.000 2.042 202 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 202 L C 2.251 179.152 176.870 0.050 0.000 1.076 202 L CA 1.731 56.604 54.840 0.055 0.000 0.749 202 L CB -0.813 41.314 42.059 0.113 0.000 0.893 202 L HN 0.208 nan 8.230 nan 0.000 0.432 203 Y N 0.289 120.507 120.300 -0.135 0.000 2.128 203 Y HA -0.288 4.261 4.550 -0.000 0.000 0.284 203 Y C 2.334 178.174 175.900 -0.101 0.000 1.154 203 Y CA 2.024 59.967 58.100 -0.262 0.000 1.149 203 Y CB -0.068 38.025 38.460 -0.611 0.000 0.976 203 Y HN 0.125 nan 8.280 nan 0.000 0.505 204 K N 0.225 120.675 120.400 0.083 0.000 2.025 204 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 204 K C 1.716 178.265 176.600 -0.084 0.000 1.049 204 K CA 1.558 57.853 56.287 0.014 0.000 0.933 204 K CB -0.756 31.762 32.500 0.030 0.000 0.714 204 K HN 0.391 nan 8.250 nan 0.000 0.438 205 D N 1.075 121.430 120.400 -0.074 0.000 2.092 205 D HA -0.126 4.513 4.640 -0.001 0.000 0.193 205 D C 1.674 177.875 176.300 -0.166 0.000 0.994 205 D CA 1.003 54.947 54.000 -0.094 0.000 0.828 205 D CB 0.005 40.769 40.800 -0.060 0.000 0.963 205 D HN -0.004 nan 8.370 nan 0.000 0.450 206 K N -0.294 119.974 120.400 -0.220 0.000 2.442 206 K HA -0.078 4.241 4.320 -0.001 0.000 0.199 206 K C 1.560 177.806 176.600 -0.590 0.000 1.044 206 K CA 1.015 57.067 56.287 -0.391 0.000 0.941 206 K CB -0.127 32.113 32.500 -0.433 0.000 0.759 206 K HN 0.350 nan 8.250 nan 0.000 0.472 207 G N 0.133 108.644 108.800 -0.481 0.000 2.258 207 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.233 207 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.233 207 G C -0.056 174.576 174.900 -0.445 0.000 1.006 207 G CA 0.043 44.894 45.100 -0.415 0.000 0.620 207 G HN 0.222 nan 8.290 nan 0.000 0.511 208 Y N 1.412 121.430 120.300 -0.470 0.000 3.032 208 Y HA 0.180 4.729 4.550 -0.000 0.000 0.344 208 Y C 1.534 177.236 175.900 -0.330 0.000 1.273 208 Y CA 1.184 58.962 58.100 -0.536 0.000 1.588 208 Y CB 0.375 38.156 38.460 -1.132 0.000 1.209 208 Y HN 0.131 nan 8.280 nan 0.000 0.597 209 K N 3.383 123.783 120.400 0.001 0.000 3.129 209 K HA 0.290 4.609 4.320 -0.001 0.000 0.224 209 K C 0.686 177.332 176.600 0.077 0.000 1.249 209 K CA -0.097 56.213 56.287 0.038 0.000 1.177 209 K CB 0.135 32.630 32.500 -0.008 0.000 1.393 209 K HN 0.912 nan 8.250 nan 0.000 0.459 210 G N 0.522 109.454 108.800 0.219 0.000 3.194 210 G HA2 0.340 4.299 3.960 -0.001 0.000 0.160 210 G HA3 0.340 4.299 3.960 -0.001 0.000 0.160 210 G C -0.902 174.033 174.900 0.059 0.000 1.267 210 G CA -0.328 44.824 45.100 0.087 0.000 0.962 210 G HN 0.203 nan 8.290 nan 0.000 0.612 211 E N -0.623 119.530 120.200 -0.079 0.000 2.294 211 E HA 0.332 4.682 4.350 -0.001 0.000 0.272 211 E C -1.630 174.993 176.600 0.039 0.000 0.896 211 E CA -0.525 55.885 56.400 0.017 0.000 0.802 211 E CB 2.759 32.547 29.700 0.147 0.000 1.267 211 E HN 0.261 nan 8.360 nan 0.000 0.406 212 I N 1.839 122.266 120.570 -0.238 0.000 2.566 212 I HA 0.732 4.901 4.170 -0.001 0.000 0.303 212 I C 0.224 176.064 176.117 -0.462 0.000 0.983 212 I CA 0.242 61.327 61.300 -0.359 0.000 1.235 212 I CB 1.504 39.095 38.000 -0.681 0.000 1.386 212 I HN 0.620 nan 8.210 nan 0.000 0.494 213 G N 4.782 113.236 108.800 -0.577 0.000 2.489 213 G HA2 0.599 4.558 3.960 -0.001 0.000 0.305 213 G HA3 0.599 4.558 3.960 -0.001 0.000 0.305 213 G C -1.888 172.752 174.900 -0.433 0.000 1.311 213 G CA -0.227 44.295 45.100 -0.962 0.000 0.813 213 G HN 0.717 nan 8.290 nan 0.000 0.480 214 V N -1.549 118.097 119.914 -0.447 0.000 3.040 214 V HA 0.811 4.931 4.120 -0.001 0.000 0.312 214 V C -0.600 175.340 176.094 -0.256 0.000 1.115 214 V CA -1.004 61.072 62.300 -0.373 0.000 0.998 214 V CB 1.849 33.219 31.823 -0.755 0.000 1.042 214 V HN 0.739 nan 8.190 nan 0.000 0.433 215 V N 2.365 122.165 119.914 -0.190 0.000 2.289 215 V HA 0.423 4.543 4.120 -0.001 0.000 0.272 215 V C -0.819 175.272 176.094 -0.006 0.000 1.026 215 V CA -0.343 61.917 62.300 -0.067 0.000 0.807 215 V CB 0.498 32.310 31.823 -0.019 0.000 1.044 215 V HN 0.863 nan 8.190 nan 0.000 0.443 216 H N 2.804 121.878 119.070 0.006 0.000 2.502 216 H HA 0.668 5.223 4.556 -0.001 0.000 0.327 216 H C 0.381 175.728 175.328 0.032 0.000 1.099 216 H CA -0.431 55.618 56.048 0.002 0.000 1.323 216 H CB 1.927 31.692 29.762 0.005 0.000 1.450 216 H HN 0.662 nan 8.280 nan 0.000 0.502 217 A N 4.069 126.983 122.820 0.157 0.000 2.320 217 A HA 0.442 4.762 4.320 -0.001 0.000 0.287 217 A C -0.096 177.553 177.584 0.107 0.000 1.181 217 A CA -0.504 51.603 52.037 0.116 0.000 0.831 217 A CB -0.153 18.902 19.000 0.092 0.000 1.102 217 A HN 0.656 nan 8.150 nan 0.000 0.513 218 L N 5.519 126.824 121.223 0.136 0.000 2.495 218 L HA 0.307 4.647 4.340 -0.001 0.000 0.248 218 L C -2.374 174.596 176.870 0.166 0.000 1.229 218 L CA -1.479 53.443 54.840 0.137 0.000 0.942 218 L CB 1.820 43.973 42.059 0.156 0.000 1.242 218 L HN 0.510 nan 8.230 nan 0.000 0.484 219 P HA 0.135 nan 4.420 nan 0.000 0.287 219 P C -0.140 177.149 177.300 -0.017 0.000 1.307 219 P CA -0.202 62.891 63.100 -0.012 0.000 0.777 219 P CB 0.907 32.508 31.700 -0.166 0.000 0.883 220 T N 4.306 118.901 114.554 0.068 0.000 2.933 220 T HA 0.047 4.397 4.350 -0.001 0.000 0.306 220 T C 0.472 174.935 174.700 -0.395 0.000 1.045 220 T CA 0.046 62.029 62.100 -0.194 0.000 1.143 220 T CB 0.063 68.778 68.868 -0.254 0.000 1.003 220 T HN 0.252 nan 8.240 nan 0.000 0.540 221 K N 2.957 123.076 120.400 -0.469 0.000 2.394 221 K HA 0.382 4.702 4.320 -0.001 0.000 0.260 221 K C -1.159 175.151 176.600 -0.483 0.000 0.967 221 K CA -0.478 55.584 56.287 -0.375 0.000 0.855 221 K CB 1.484 33.889 32.500 -0.157 0.000 1.101 221 K HN 0.610 nan 8.250 nan 0.000 0.433 222 Y N 2.411 122.482 120.300 -0.382 0.000 2.468 222 Y HA 0.353 4.903 4.550 -0.001 0.000 0.342 222 Y C -1.956 173.877 175.900 -0.112 0.000 1.021 222 Y CA -2.451 55.457 58.100 -0.320 0.000 1.079 222 Y CB 1.547 39.626 38.460 -0.635 0.000 1.226 222 Y HN 0.403 nan 8.280 nan 0.000 0.460 223 P HA -0.024 nan 4.420 nan 0.000 0.280 223 P C 0.029 177.570 177.300 0.401 0.000 1.244 223 P CA -0.050 63.198 63.100 0.246 0.000 0.784 223 P CB 1.189 32.990 31.700 0.169 0.000 0.913 224 Y N 2.564 123.044 120.300 0.301 0.000 2.128 224 Y HA -0.162 4.388 4.550 -0.000 0.000 0.284 224 Y C 0.831 176.864 175.900 0.222 0.000 1.154 224 Y CA 1.825 60.124 58.100 0.332 0.000 1.149 224 Y CB -0.068 38.533 38.460 0.236 0.000 0.976 224 Y HN 0.298 nan 8.280 nan 0.000 0.505 225 D N 0.018 120.460 120.400 0.070 0.000 2.462 225 D HA 0.175 4.814 4.640 -0.001 0.000 0.245 225 D C -2.023 174.305 176.300 0.048 0.000 1.122 225 D CA -2.393 51.586 54.000 -0.035 0.000 0.864 225 D CB 1.663 42.461 40.800 -0.003 0.000 1.098 225 D HN 0.057 nan 8.370 nan 0.000 0.541 226 P HA -0.149 nan 4.420 nan 0.000 0.218 226 P C 0.727 178.055 177.300 0.047 0.000 1.148 226 P CA 0.976 64.118 63.100 0.069 0.000 0.822 226 P CB 0.664 32.406 31.700 0.069 0.000 0.784 227 E N -0.695 119.521 120.200 0.027 0.000 2.347 227 E HA -0.066 4.284 4.350 -0.001 0.000 0.196 227 E C 0.880 177.496 176.600 0.026 0.000 1.008 227 E CA 0.248 56.662 56.400 0.022 0.000 0.852 227 E CB -0.660 29.047 29.700 0.012 0.000 0.783 227 E HN 0.146 nan 8.360 nan 0.000 0.505 228 N N 0.652 119.371 118.700 0.033 0.000 2.439 228 N HA 0.064 4.803 4.740 -0.001 0.000 0.243 228 N C -2.143 173.380 175.510 0.023 0.000 1.088 228 N CA -2.170 50.897 53.050 0.029 0.000 0.940 228 N CB 0.953 39.462 38.487 0.038 0.000 1.180 228 N HN -0.190 nan 8.380 nan 0.000 0.505 229 P HA -0.177 nan 4.420 nan 0.000 0.217 229 P C 0.667 177.969 177.300 0.003 0.000 1.148 229 P CA 1.337 64.445 63.100 0.013 0.000 0.834 229 P CB 0.305 32.011 31.700 0.009 0.000 0.783 230 A N -0.384 122.423 122.820 -0.021 0.000 1.873 230 A HA -0.188 4.131 4.320 -0.001 0.000 0.215 230 A C 1.964 179.521 177.584 -0.045 0.000 1.186 230 A CA 1.997 54.000 52.037 -0.056 0.000 0.616 230 A CB -1.327 17.594 19.000 -0.133 0.000 0.823 230 A HN 0.081 nan 8.150 nan 0.000 0.442 231 D N -0.210 120.174 120.400 -0.028 0.000 2.144 231 D HA -0.079 4.561 4.640 -0.001 0.000 0.200 231 D C 2.051 178.394 176.300 0.070 0.000 0.978 231 D CA 1.325 55.345 54.000 0.033 0.000 0.833 231 D CB -0.409 40.451 40.800 0.100 0.000 0.961 231 D HN 0.213 nan 8.370 nan 0.000 0.470 232 V N 0.950 120.901 119.914 0.061 0.000 2.332 232 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 232 V C 2.515 178.644 176.094 0.058 0.000 1.055 232 V CA 1.339 63.679 62.300 0.067 0.000 1.038 232 V CB -0.407 31.449 31.823 0.054 0.000 0.651 232 V HN 0.119 nan 8.190 nan 0.000 0.450 233 R N 0.287 120.814 120.500 0.045 0.000 2.115 233 R HA -0.034 4.306 4.340 -0.001 0.000 0.230 233 R C 2.332 178.670 176.300 0.063 0.000 1.111 233 R CA 1.576 57.706 56.100 0.050 0.000 0.976 233 R CB -0.860 29.463 30.300 0.039 0.000 0.870 233 R HN 0.527 nan 8.270 nan 0.000 0.445 234 A N 0.485 123.338 122.820 0.055 0.000 1.883 234 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 234 A C 2.306 179.945 177.584 0.093 0.000 1.186 234 A CA 2.029 54.108 52.037 0.070 0.000 0.624 234 A CB -0.660 18.378 19.000 0.063 0.000 0.822 234 A HN 0.385 nan 8.150 nan 0.000 0.444 235 A N -0.928 121.945 122.820 0.088 0.000 2.014 235 A HA -0.057 4.263 4.320 -0.001 0.000 0.218 235 A C 1.943 179.565 177.584 0.063 0.000 1.163 235 A CA 1.543 53.623 52.037 0.071 0.000 0.652 235 A CB -0.402 18.631 19.000 0.056 0.000 0.808 235 A HN 0.664 nan 8.150 nan 0.000 0.449 236 E N -0.052 120.189 120.200 0.068 0.000 2.017 236 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 236 E C 1.774 178.430 176.600 0.093 0.000 0.997 236 E CA 1.228 57.670 56.400 0.070 0.000 0.804 236 E CB -0.194 29.546 29.700 0.066 0.000 0.757 236 E HN 0.610 nan 8.360 nan 0.000 0.448 237 L N 0.501 121.785 121.223 0.102 0.000 2.275 237 L HA -0.131 4.208 4.340 -0.001 0.000 0.215 237 L C 2.418 179.373 176.870 0.142 0.000 1.119 237 L CA 0.904 55.813 54.840 0.116 0.000 0.790 237 L CB -0.155 41.965 42.059 0.102 0.000 0.919 237 L HN 0.174 nan 8.230 nan 0.000 0.443 238 E N 0.532 120.823 120.200 0.150 0.000 2.112 238 E HA -0.238 4.112 4.350 -0.001 0.000 0.190 238 E C 1.732 178.478 176.600 0.243 0.000 0.979 238 E CA 1.302 57.830 56.400 0.213 0.000 0.814 238 E CB 0.050 29.861 29.700 0.186 0.000 0.762 238 E HN 0.419 nan 8.360 nan 0.000 0.460 239 D N -0.431 120.061 120.400 0.153 0.000 2.144 239 D HA -0.101 4.539 4.640 -0.001 0.000 0.200 239 D C 1.812 178.221 176.300 0.182 0.000 0.978 239 D CA 1.218 55.299 54.000 0.135 0.000 0.833 239 D CB -0.077 40.763 40.800 0.066 0.000 0.961 239 D HN 0.300 nan 8.370 nan 0.000 0.470 240 I N 0.267 120.948 120.570 0.186 0.000 2.454 240 I HA -0.208 3.962 4.170 -0.001 0.000 0.254 240 I C 1.927 178.228 176.117 0.306 0.000 1.156 240 I CA 0.610 62.045 61.300 0.226 0.000 1.433 240 I CB -0.045 38.063 38.000 0.180 0.000 1.082 240 I HN 0.217 nan 8.210 nan 0.000 0.432 241 I N -0.275 120.436 120.570 0.235 0.000 2.188 241 I HA -0.247 3.923 4.170 -0.001 0.000 0.237 241 I C 2.301 178.422 176.117 0.007 0.000 1.073 241 I CA 1.414 62.751 61.300 0.062 0.000 1.359 241 I CB -0.650 37.181 38.000 -0.283 0.000 1.083 241 I HN 0.203 nan 8.210 nan 0.000 0.412 242 H N 0.429 119.561 119.070 0.103 0.000 2.502 242 H HA 0.038 4.594 4.556 -0.001 0.000 0.283 242 H C 1.494 176.828 175.328 0.011 0.000 1.015 242 H CA 0.939 57.017 56.048 0.049 0.000 1.298 242 H CB 0.013 29.775 29.762 0.001 0.000 1.411 242 H HN 0.341 nan 8.280 nan 0.000 0.556 243 N N -0.763 118.040 118.700 0.171 0.000 2.804 243 N HA 0.011 4.750 4.740 -0.001 0.000 0.250 243 N C 1.460 177.047 175.510 0.128 0.000 1.024 243 N CA 0.149 53.261 53.050 0.103 0.000 0.995 243 N CB 0.051 38.601 38.487 0.105 0.000 1.690 243 N HN 0.061 nan 8.380 nan 0.000 0.515 244 K N 0.532 121.047 120.400 0.192 0.000 2.097 244 K HA -0.018 4.302 4.320 -0.001 0.000 0.206 244 K C 1.897 178.663 176.600 0.278 0.000 1.049 244 K CA 0.948 57.373 56.287 0.229 0.000 0.933 244 K CB -0.140 32.489 32.500 0.215 0.000 0.717 244 K HN 0.018 nan 8.250 nan 0.000 0.442 245 F N 1.494 121.544 119.950 0.168 0.000 2.134 245 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 245 F C 1.676 177.630 175.800 0.256 0.000 1.097 245 F CA 1.402 59.532 58.000 0.217 0.000 1.264 245 F CB -0.002 39.133 39.000 0.225 0.000 1.001 245 F HN -0.041 nan 8.300 nan 0.000 0.479 246 I N -0.187 120.516 120.570 0.222 0.000 2.193 246 I HA -0.297 3.872 4.170 -0.001 0.000 0.240 246 I C 2.356 178.397 176.117 -0.126 0.000 1.084 246 I CA 1.238 62.506 61.300 -0.053 0.000 1.365 246 I CB -0.819 36.969 38.000 -0.354 0.000 1.064 246 I HN 0.127 nan 8.210 nan 0.000 0.410 247 L N 0.552 121.713 121.223 -0.103 0.000 2.129 247 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 247 L C 2.059 178.786 176.870 -0.238 0.000 1.087 247 L CA 1.302 56.075 54.840 -0.112 0.000 0.757 247 L CB -0.688 41.352 42.059 -0.031 0.000 0.896 247 L HN 0.272 nan 8.230 nan 0.000 0.434 248 D N 0.062 120.413 120.400 -0.081 0.000 2.077 248 D HA -0.142 4.498 4.640 -0.001 0.000 0.196 248 D C 2.270 178.450 176.300 -0.200 0.000 0.986 248 D CA 1.503 55.460 54.000 -0.072 0.000 0.829 248 D CB -0.156 40.654 40.800 0.016 0.000 0.983 248 D HN 0.247 nan 8.370 nan 0.000 0.453 249 A N -0.108 122.551 122.820 -0.269 0.000 1.958 249 A HA -0.233 4.087 4.320 -0.001 0.000 0.221 249 A C 2.275 179.742 177.584 -0.194 0.000 1.178 249 A CA 2.383 54.225 52.037 -0.325 0.000 0.642 249 A CB -0.986 17.883 19.000 -0.219 0.000 0.816 249 A HN 0.290 nan 8.150 nan 0.000 0.453 250 T N -2.181 112.244 114.554 -0.214 0.000 2.857 250 T HA -0.039 4.311 4.350 -0.001 0.000 0.266 250 T C 1.297 175.665 174.700 -0.555 0.000 1.048 250 T CA 1.644 63.525 62.100 -0.366 0.000 1.139 250 T CB -0.277 68.319 68.868 -0.453 0.000 0.874 250 T HN 0.616 nan 8.240 nan 0.000 0.455 251 Y N -0.411 119.791 120.300 -0.162 0.000 2.430 251 Y HA 0.480 5.030 4.550 -0.001 0.000 0.248 251 Y C 1.607 177.521 175.900 0.024 0.000 1.108 251 Y CA -0.275 57.771 58.100 -0.090 0.000 1.264 251 Y CB 0.274 38.622 38.460 -0.186 0.000 1.172 251 Y HN 0.071 nan 8.280 nan 0.000 0.520 252 L N -1.651 119.650 121.223 0.129 0.000 2.672 252 L HA 0.396 4.736 4.340 -0.001 0.000 0.236 252 L C 1.251 178.258 176.870 0.228 0.000 1.092 252 L CA 0.477 55.436 54.840 0.199 0.000 0.887 252 L CB 0.203 42.344 42.059 0.138 0.000 1.168 252 L HN 0.214 nan 8.230 nan 0.000 0.502 253 G N 1.838 110.688 108.800 0.084 0.000 2.314 253 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.292 253 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.292 253 G C -0.000 175.025 174.900 0.209 0.000 1.059 253 G CA 0.857 46.009 45.100 0.086 0.000 0.982 253 G HN 0.887 nan 8.290 nan 0.000 0.505 254 H N -4.087 114.881 119.070 -0.171 0.000 2.896 254 H HA 0.345 4.901 4.556 -0.000 0.000 0.237 254 H C -1.428 173.638 175.328 -0.436 0.000 1.374 254 H CA -1.304 54.590 56.048 -0.257 0.000 1.224 254 H CB -0.024 29.625 29.762 -0.190 0.000 1.789 254 H HN 0.395 nan 8.280 nan 0.000 0.411 255 Y N 0.238 120.394 120.300 -0.239 0.000 2.331 255 Y HA 0.512 5.061 4.550 -0.000 0.000 0.338 255 Y C 0.654 176.353 175.900 -0.335 0.000 0.976 255 Y CA -0.764 57.161 58.100 -0.291 0.000 1.137 255 Y CB 0.981 39.371 38.460 -0.117 0.000 1.172 255 Y HN 0.751 nan 8.280 nan 0.000 0.478 256 C N 2.781 121.961 119.300 -0.200 0.000 2.767 256 C HA -0.077 4.383 4.460 -0.001 0.000 0.353 256 C C 1.790 176.800 174.990 0.033 0.000 1.376 256 C CA 0.004 58.977 59.018 -0.076 0.000 2.284 256 C CB 0.202 27.927 27.740 -0.026 0.000 2.535 256 C HN 1.007 nan 8.230 nan 0.000 0.745 257 D N 0.672 121.100 120.400 0.047 0.000 2.144 257 D HA -0.145 4.495 4.640 -0.001 0.000 0.199 257 D C 1.619 177.942 176.300 0.039 0.000 0.984 257 D CA 1.488 55.513 54.000 0.042 0.000 0.834 257 D CB -0.351 40.470 40.800 0.036 0.000 0.955 257 D HN 0.589 nan 8.370 nan 0.000 0.465 258 K N -0.058 120.368 120.400 0.043 0.000 2.026 258 K HA -0.089 4.231 4.320 -0.001 0.000 0.208 258 K C 2.279 178.913 176.600 0.057 0.000 1.048 258 K CA 1.715 58.030 56.287 0.047 0.000 0.929 258 K CB -0.464 32.066 32.500 0.049 0.000 0.713 258 K HN 0.202 nan 8.250 nan 0.000 0.439 259 T N 1.582 116.183 114.554 0.077 0.000 2.684 259 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 259 T C 1.891 176.611 174.700 0.033 0.000 1.036 259 T CA 1.246 63.405 62.100 0.098 0.000 1.148 259 T CB -0.056 68.917 68.868 0.174 0.000 0.863 259 T HN 0.071 nan 8.240 nan 0.000 0.436 260 M N 0.952 120.573 119.600 0.035 0.000 2.086 260 M HA -0.001 4.479 4.480 -0.001 0.000 0.261 260 M C 2.279 178.562 176.300 -0.027 0.000 1.067 260 M CA 1.349 56.641 55.300 -0.013 0.000 1.116 260 M CB -1.226 31.386 32.600 0.020 0.000 1.348 260 M HN 0.265 nan 8.290 nan 0.000 0.407 261 E N -0.358 119.845 120.200 0.005 0.000 2.097 261 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 261 E C 1.975 178.596 176.600 0.034 0.000 1.000 261 E CA 1.676 58.085 56.400 0.015 0.000 0.804 261 E CB -0.366 29.347 29.700 0.021 0.000 0.740 261 E HN 0.611 nan 8.360 nan 0.000 0.454 262 G N -0.556 108.263 108.800 0.031 0.000 2.396 262 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.214 262 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.214 262 G C 1.627 176.508 174.900 -0.031 0.000 1.166 262 G CA 0.648 45.781 45.100 0.055 0.000 0.793 262 G HN 0.188 nan 8.290 nan 0.000 0.533 263 V N 1.434 121.236 119.914 -0.186 0.000 2.515 263 V HA -0.195 3.925 4.120 -0.001 0.000 0.250 263 V C 2.446 178.382 176.094 -0.262 0.000 1.058 263 V CA 2.001 64.016 62.300 -0.476 0.000 1.064 263 V CB -0.714 30.589 31.823 -0.866 0.000 0.675 263 V HN 0.423 nan 8.190 nan 0.000 0.461 264 N N -0.514 118.109 118.700 -0.128 0.000 2.188 264 N HA -0.198 4.541 4.740 -0.001 0.000 0.184 264 N C 1.963 177.493 175.510 0.033 0.000 1.018 264 N CA 1.136 54.156 53.050 -0.051 0.000 0.858 264 N CB -0.250 38.224 38.487 -0.023 0.000 0.989 264 N HN 0.556 nan 8.380 nan 0.000 0.426 265 H N 1.534 120.575 119.070 -0.049 0.000 2.326 265 H HA 0.029 4.584 4.556 -0.001 0.000 0.301 265 H C 1.895 177.219 175.328 -0.007 0.000 1.081 265 H CA 1.166 57.202 56.048 -0.021 0.000 1.334 265 H CB -0.321 29.435 29.762 -0.010 0.000 1.385 265 H HN 0.082 nan 8.280 nan 0.000 0.504 266 I N 0.153 120.619 120.570 -0.173 0.000 2.091 266 I HA -0.255 3.914 4.170 -0.001 0.000 0.239 266 I C 2.239 178.308 176.117 -0.080 0.000 1.061 266 I CA 1.054 62.244 61.300 -0.184 0.000 1.317 266 I CB -1.001 37.018 38.000 0.031 0.000 1.031 266 I HN 0.266 nan 8.210 nan 0.000 0.401 267 L N 0.665 121.875 121.223 -0.022 0.000 2.362 267 L HA -0.087 4.252 4.340 -0.001 0.000 0.219 267 L C 2.504 179.372 176.870 -0.003 0.000 1.134 267 L CA 1.381 56.215 54.840 -0.009 0.000 0.807 267 L CB -1.032 41.016 42.059 -0.018 0.000 0.927 267 L HN 0.175 nan 8.230 nan 0.000 0.447 268 A N -0.881 121.952 122.820 0.022 0.000 1.826 268 A HA -0.109 4.210 4.320 -0.001 0.000 0.214 268 A C 2.203 179.810 177.584 0.037 0.000 1.212 268 A CA 1.005 53.071 52.037 0.049 0.000 0.605 268 A CB -0.441 18.626 19.000 0.112 0.000 0.861 268 A HN 0.282 nan 8.150 nan 0.000 0.447 269 E N 0.412 120.640 120.200 0.047 0.000 2.209 269 E HA -0.140 4.210 4.350 -0.001 0.000 0.196 269 E C 0.983 177.567 176.600 -0.026 0.000 0.993 269 E CA 1.044 57.453 56.400 0.014 0.000 0.819 269 E CB -0.239 29.450 29.700 -0.019 0.000 0.745 269 E HN 0.609 nan 8.360 nan 0.000 0.477 270 N N -0.702 117.974 118.700 -0.041 0.000 2.197 270 N HA 0.097 4.837 4.740 -0.001 0.000 0.201 270 N C 0.249 175.744 175.510 -0.025 0.000 1.148 270 N CA 0.682 53.707 53.050 -0.041 0.000 0.883 270 N CB 1.596 40.050 38.487 -0.056 0.000 1.012 270 N HN 0.068 nan 8.380 nan 0.000 0.507 271 G N 0.237 109.028 108.800 -0.016 0.000 2.854 271 G HA2 0.185 4.145 3.960 -0.001 0.000 0.686 271 G HA3 0.185 4.145 3.960 -0.001 0.000 0.686 271 G C -0.152 174.738 174.900 -0.017 0.000 1.202 271 G CA -0.407 44.685 45.100 -0.013 0.000 0.878 271 G HN 0.529 nan 8.290 nan 0.000 0.583 272 G N 0.398 109.188 108.800 -0.017 0.000 2.368 272 G HA2 0.620 4.580 3.960 -0.001 0.000 0.303 272 G HA3 0.620 4.580 3.960 -0.001 0.000 0.303 272 G C -1.034 173.852 174.900 -0.024 0.000 1.590 272 G CA 0.333 45.419 45.100 -0.023 0.000 0.938 272 G HN 1.218 nan 8.290 nan 0.000 0.675 273 E N -0.120 120.063 120.200 -0.028 0.000 2.288 273 E HA 0.713 5.062 4.350 -0.001 0.000 0.268 273 E C -1.355 175.227 176.600 -0.030 0.000 0.885 273 E CA -0.902 55.483 56.400 -0.026 0.000 0.767 273 E CB 1.855 31.543 29.700 -0.020 0.000 1.220 273 E HN 0.277 nan 8.360 nan 0.000 0.427 274 L N 2.788 123.995 121.223 -0.027 0.000 2.362 274 L HA 0.338 4.678 4.340 -0.001 0.000 0.271 274 L C -0.757 176.112 176.870 -0.000 0.000 1.002 274 L CA -0.543 54.282 54.840 -0.025 0.000 0.818 274 L CB 1.732 43.757 42.059 -0.057 0.000 1.298 274 L HN 0.506 nan 8.230 nan 0.000 0.420 275 D N 3.584 123.996 120.400 0.021 0.000 2.485 275 D HA 0.401 5.040 4.640 -0.001 0.000 0.229 275 D C -1.032 175.320 176.300 0.086 0.000 1.101 275 D CA -0.076 53.955 54.000 0.050 0.000 0.906 275 D CB 0.225 41.055 40.800 0.050 0.000 1.019 275 D HN 0.298 nan 8.370 nan 0.000 0.516 276 L N 3.035 124.297 121.223 0.064 0.000 2.329 276 L HA 0.622 4.962 4.340 -0.001 0.000 0.279 276 L C 0.278 177.265 176.870 0.195 0.000 1.014 276 L CA -0.972 53.897 54.840 0.048 0.000 0.814 276 L CB 1.771 43.867 42.059 0.061 0.000 1.257 276 L HN -0.001 nan 8.230 nan 0.000 0.424 277 R N 0.402 121.016 120.500 0.190 0.000 2.795 277 R HA 0.274 4.614 4.340 -0.001 0.000 0.275 277 R C 0.328 176.784 176.300 0.260 0.000 0.981 277 R CA -0.674 55.542 56.100 0.195 0.000 0.917 277 R CB 1.543 31.911 30.300 0.113 0.000 1.202 277 R HN 0.521 nan 8.270 nan 0.000 0.469 278 D N 1.791 122.359 120.400 0.280 0.000 2.158 278 D HA -0.207 4.433 4.640 -0.001 0.000 0.197 278 D C 1.031 177.450 176.300 0.199 0.000 0.995 278 D CA 1.483 55.655 54.000 0.286 0.000 0.846 278 D CB 0.383 41.280 40.800 0.162 0.000 0.941 278 D HN 0.587 nan 8.370 nan 0.000 0.456 279 E N 1.494 121.761 120.200 0.110 0.000 2.106 279 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 279 E C 1.493 178.102 176.600 0.015 0.000 0.984 279 E CA 0.751 57.184 56.400 0.056 0.000 0.806 279 E CB -0.460 29.258 29.700 0.031 0.000 0.750 279 E HN 0.318 nan 8.360 nan 0.000 0.458 280 D N 0.711 121.087 120.400 -0.040 0.000 2.097 280 D HA -0.108 4.531 4.640 -0.001 0.000 0.195 280 D C 1.816 178.002 176.300 -0.191 0.000 0.989 280 D CA 0.906 54.789 54.000 -0.194 0.000 0.827 280 D CB -0.414 40.202 40.800 -0.306 0.000 0.966 280 D HN 0.203 nan 8.370 nan 0.000 0.456 281 F N 1.162 121.175 119.950 0.105 0.000 2.502 281 F HA 0.014 4.541 4.527 -0.001 0.000 0.298 281 F C 2.560 178.371 175.800 0.018 0.000 1.111 281 F CA 0.520 58.556 58.000 0.059 0.000 1.445 281 F CB -0.321 38.718 39.000 0.065 0.000 1.081 281 F HN -0.072 nan 8.300 nan 0.000 0.558 282 Q N -0.236 119.659 119.800 0.157 0.000 2.137 282 Q HA -0.035 4.304 4.340 -0.001 0.000 0.198 282 Q C 2.514 178.541 176.000 0.044 0.000 0.960 282 Q CA 1.116 56.971 55.803 0.087 0.000 0.847 282 Q CB -0.246 28.531 28.738 0.065 0.000 0.915 282 Q HN 0.413 nan 8.270 nan 0.000 0.448 283 A N 0.704 123.536 122.820 0.020 0.000 1.872 283 A HA -0.102 4.218 4.320 -0.001 0.000 0.214 283 A C 2.028 179.603 177.584 -0.015 0.000 1.187 283 A CA 0.804 52.836 52.037 -0.008 0.000 0.614 283 A CB -0.611 18.373 19.000 -0.027 0.000 0.826 283 A HN 0.253 nan 8.150 nan 0.000 0.442 284 L N -0.339 120.873 121.223 -0.018 0.000 2.046 284 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 284 L C 2.480 179.358 176.870 0.013 0.000 1.077 284 L CA 1.831 56.660 54.840 -0.018 0.000 0.747 284 L CB -0.441 41.598 42.059 -0.033 0.000 0.896 284 L HN 0.510 nan 8.230 nan 0.000 0.432 285 D N 0.030 120.463 120.400 0.055 0.000 2.178 285 D HA -0.174 4.465 4.640 -0.001 0.000 0.201 285 D C 2.026 178.340 176.300 0.023 0.000 0.980 285 D CA 1.275 55.306 54.000 0.051 0.000 0.842 285 D CB 0.377 41.212 40.800 0.058 0.000 0.948 285 D HN 0.332 nan 8.370 nan 0.000 0.472 286 A N 0.371 123.198 122.820 0.012 0.000 2.066 286 A HA 0.151 4.471 4.320 -0.001 0.000 0.218 286 A C 1.998 179.574 177.584 -0.014 0.000 1.157 286 A CA 1.428 53.465 52.037 -0.000 0.000 0.670 286 A CB -0.122 18.877 19.000 -0.003 0.000 0.804 286 A HN 0.279 nan 8.150 nan 0.000 0.453 287 A N -0.185 122.618 122.820 -0.029 0.000 2.430 287 A HA 0.316 4.636 4.320 -0.001 0.000 0.243 287 A C 1.444 178.996 177.584 -0.053 0.000 1.254 287 A CA 0.584 52.587 52.037 -0.057 0.000 0.914 287 A CB -0.170 18.764 19.000 -0.110 0.000 0.998 287 A HN 0.464 nan 8.150 nan 0.000 0.515 288 K N -0.411 119.977 120.400 -0.020 0.000 2.439 288 K HA 0.034 4.354 4.320 -0.001 0.000 0.197 288 K C 0.151 176.786 176.600 0.058 0.000 1.041 288 K CA 1.331 57.615 56.287 -0.005 0.000 0.970 288 K CB 0.072 32.596 32.500 0.039 0.000 0.773 288 K HN 0.140 nan 8.250 nan 0.000 0.479 289 D N -0.151 120.278 120.400 0.048 0.000 2.650 289 D HA 0.224 4.864 4.640 -0.001 0.000 0.265 289 D C 0.281 176.607 176.300 0.042 0.000 1.339 289 D CA 0.052 54.097 54.000 0.074 0.000 0.816 289 D CB 0.515 41.354 40.800 0.064 0.000 1.091 289 D HN 0.146 nan 8.370 nan 0.000 0.483 290 L N -0.470 120.761 121.223 0.013 0.000 2.672 290 L HA 0.201 4.541 4.340 -0.001 0.000 0.236 290 L C 0.144 176.999 176.870 -0.025 0.000 1.092 290 L CA -0.078 54.758 54.840 -0.008 0.000 0.887 290 L CB 0.242 42.281 42.059 -0.034 0.000 1.168 290 L HN -0.208 nan 8.230 nan 0.000 0.502 291 N N 1.058 119.739 118.700 -0.032 0.000 2.454 291 N HA -0.067 4.672 4.740 -0.001 0.000 0.260 291 N C 0.568 176.071 175.510 -0.011 0.000 1.218 291 N CA 0.170 53.178 53.050 -0.070 0.000 0.904 291 N CB 0.703 39.142 38.487 -0.078 0.000 1.065 291 N HN 0.015 nan 8.380 nan 0.000 0.462 292 D N 0.756 121.123 120.400 -0.055 0.000 2.213 292 D HA 0.030 4.670 4.640 -0.001 0.000 0.205 292 D C 0.024 176.491 176.300 0.279 0.000 0.961 292 D CA 1.050 55.126 54.000 0.127 0.000 0.853 292 D CB 0.284 41.232 40.800 0.248 0.000 0.967 292 D HN 0.517 nan 8.370 nan 0.000 0.496 293 F N -1.327 118.720 119.950 0.161 0.000 2.745 293 F HA 0.518 5.044 4.527 -0.001 0.000 0.316 293 F C -1.504 174.419 175.800 0.205 0.000 1.155 293 F CA -1.374 56.737 58.000 0.185 0.000 0.937 293 F CB 1.537 40.714 39.000 0.295 0.000 1.361 293 F HN -0.344 nan 8.300 nan 0.000 0.472 294 L N 1.634 123.102 121.223 0.408 0.000 2.385 294 L HA 0.775 5.115 4.340 -0.001 0.000 0.273 294 L C -0.777 176.297 176.870 0.341 0.000 0.990 294 L CA -0.465 54.533 54.840 0.263 0.000 0.821 294 L CB 1.684 43.921 42.059 0.296 0.000 1.279 294 L HN 1.063 nan 8.230 nan 0.000 0.412 295 G N 5.773 114.708 108.800 0.224 0.000 2.377 295 G HA2 0.510 4.470 3.960 -0.001 0.000 0.316 295 G HA3 0.510 4.470 3.960 -0.001 0.000 0.316 295 G C -0.630 174.345 174.900 0.126 0.000 1.115 295 G CA -0.399 44.831 45.100 0.217 0.000 0.952 295 G HN 0.570 nan 8.290 nan 0.000 0.441 296 I N 2.602 123.258 120.570 0.142 0.000 2.297 296 I HA 0.126 4.296 4.170 -0.001 0.000 0.291 296 I C -0.448 175.730 176.117 0.102 0.000 1.033 296 I CA -0.740 60.640 61.300 0.133 0.000 1.253 296 I CB 1.303 39.381 38.000 0.130 0.000 1.396 296 I HN 0.251 nan 8.210 nan 0.000 0.476 297 N N 6.383 125.137 118.700 0.089 0.000 2.678 297 N HA 0.174 4.913 4.740 -0.001 0.000 0.231 297 N C -1.145 174.385 175.510 0.033 0.000 1.038 297 N CA -0.265 52.791 53.050 0.010 0.000 0.932 297 N CB 0.290 38.797 38.487 0.033 0.000 1.176 297 N HN 0.385 nan 8.380 nan 0.000 0.511 298 Y N 1.555 121.772 120.300 -0.139 0.000 2.377 298 Y HA 0.331 4.881 4.550 -0.000 0.000 0.339 298 Y C -0.358 175.449 175.900 -0.156 0.000 1.011 298 Y CA -0.385 57.689 58.100 -0.043 0.000 1.093 298 Y CB 0.761 39.266 38.460 0.075 0.000 1.201 298 Y HN 0.431 nan 8.280 nan 0.000 0.455 299 Y N 4.080 124.084 120.300 -0.494 0.000 2.652 299 Y HA 0.320 4.870 4.550 -0.000 0.000 0.274 299 Y C 0.145 175.891 175.900 -0.256 0.000 1.148 299 Y CA 0.112 58.122 58.100 -0.151 0.000 1.219 299 Y CB 0.805 39.202 38.460 -0.106 0.000 1.337 299 Y HN 0.584 nan 8.280 nan 0.000 0.490 300 M N -1.518 117.735 119.600 -0.579 0.000 3.012 300 M HA 0.549 5.029 4.480 -0.001 0.000 0.272 300 M C -1.722 174.502 176.300 -0.127 0.000 1.187 300 M CA -0.501 54.695 55.300 -0.173 0.000 0.813 300 M CB 1.552 34.224 32.600 0.119 0.000 1.626 300 M HN -0.194 nan 8.290 nan 0.000 0.507 301 S N 0.546 116.391 115.700 0.240 0.000 2.621 301 S HA 0.797 5.267 4.470 -0.001 0.000 0.302 301 S C -1.196 173.430 174.600 0.043 0.000 1.093 301 S CA -0.680 57.613 58.200 0.155 0.000 1.017 301 S CB 1.601 65.010 63.200 0.348 0.000 1.077 301 S HN 0.641 nan 8.310 nan 0.000 0.517 302 D N 0.254 120.575 120.400 -0.131 0.000 2.433 302 D HA 0.334 4.974 4.640 -0.001 0.000 0.236 302 D C -1.176 175.075 176.300 -0.080 0.000 1.026 302 D CA -0.321 53.677 54.000 -0.003 0.000 0.884 302 D CB 1.279 42.019 40.800 -0.100 0.000 1.384 302 D HN 0.456 nan 8.370 nan 0.000 0.477 303 W N 1.602 122.986 121.300 0.141 0.000 2.471 303 W HA 0.305 4.965 4.660 -0.000 0.000 0.318 303 W C -0.576 176.041 176.519 0.164 0.000 1.034 303 W CA -0.628 56.845 57.345 0.213 0.000 1.224 303 W CB 1.733 31.359 29.460 0.276 0.000 1.335 303 W HN 0.043 nan 8.180 nan 0.000 0.452 304 M N 2.729 122.519 119.600 0.317 0.000 2.300 304 M HA 0.231 4.710 4.480 -0.001 0.000 0.348 304 M C -0.210 176.246 176.300 0.261 0.000 1.151 304 M CA -0.583 54.860 55.300 0.239 0.000 1.046 304 M CB 1.607 34.309 32.600 0.171 0.000 1.647 304 M HN 0.397 nan 8.290 nan 0.000 0.451 305 Q N 2.067 121.982 119.800 0.192 0.000 2.454 305 Q HA 0.605 4.945 4.340 -0.001 0.000 0.255 305 Q C -0.856 175.170 176.000 0.043 0.000 1.034 305 Q CA -0.465 55.436 55.803 0.163 0.000 0.736 305 Q CB 1.259 30.089 28.738 0.153 0.000 1.210 305 Q HN 0.852 nan 8.270 nan 0.000 0.500 306 A N 4.109 126.874 122.820 -0.090 0.000 2.550 306 A HA 0.210 4.530 4.320 -0.001 0.000 0.263 306 A C -1.086 176.207 177.584 -0.487 0.000 1.065 306 A CA 0.721 52.644 52.037 -0.191 0.000 0.786 306 A CB -0.410 18.471 19.000 -0.198 0.000 0.985 306 A HN 0.599 nan 8.150 nan 0.000 0.518 307 F N 2.823 122.807 119.950 0.057 0.000 2.787 307 F HA 0.209 4.736 4.527 -0.000 0.000 0.340 307 F C 0.292 176.101 175.800 0.016 0.000 1.232 307 F CA -1.557 56.465 58.000 0.037 0.000 1.051 307 F CB 1.364 40.382 39.000 0.030 0.000 1.330 307 F HN 0.796 nan 8.300 nan 0.000 0.522 308 D N 1.711 122.293 120.400 0.304 0.000 2.261 308 D HA 0.364 5.003 4.640 -0.001 0.000 0.233 308 D C 0.597 176.962 176.300 0.109 0.000 1.348 308 D CA 0.934 55.032 54.000 0.163 0.000 0.886 308 D CB 0.649 41.544 40.800 0.158 0.000 1.227 308 D HN 0.941 nan 8.370 nan 0.000 0.498 309 G N -1.209 107.619 108.800 0.046 0.000 2.497 309 G HA2 -0.000 3.960 3.960 -0.001 0.000 0.686 309 G HA3 -0.000 3.960 3.960 -0.001 0.000 0.686 309 G C -0.856 174.024 174.900 -0.033 0.000 1.288 309 G CA -0.586 44.516 45.100 0.004 0.000 0.899 309 G HN 0.588 nan 8.290 nan 0.000 0.608 310 E N -0.357 119.807 120.200 -0.059 0.000 2.392 310 E HA 0.474 4.824 4.350 -0.001 0.000 0.256 310 E C 0.848 177.351 176.600 -0.162 0.000 1.145 310 E CA 0.132 56.470 56.400 -0.103 0.000 0.929 310 E CB 1.024 30.665 29.700 -0.099 0.000 0.998 310 E HN 0.714 nan 8.360 nan 0.000 0.442 311 T N 0.362 114.762 114.554 -0.256 0.000 2.869 311 T HA 0.246 4.596 4.350 -0.001 0.000 0.295 311 T C -0.421 173.952 174.700 -0.545 0.000 0.987 311 T CA -0.225 61.635 62.100 -0.400 0.000 1.109 311 T CB 0.397 68.977 68.868 -0.481 0.000 0.932 311 T HN 0.473 nan 8.240 nan 0.000 0.518 312 E N 3.873 123.818 120.200 -0.425 0.000 2.354 312 E HA 0.489 4.838 4.350 -0.001 0.000 0.283 312 E C -1.674 174.914 176.600 -0.020 0.000 0.938 312 E CA -0.666 55.591 56.400 -0.238 0.000 0.777 312 E CB 1.364 31.002 29.700 -0.102 0.000 1.222 312 E HN 0.702 nan 8.360 nan 0.000 0.423 313 I N 4.805 125.519 120.570 0.240 0.000 2.534 313 I HA 0.393 4.562 4.170 -0.001 0.000 0.288 313 I C -0.922 175.337 176.117 0.236 0.000 1.077 313 I CA -0.932 60.529 61.300 0.267 0.000 1.051 313 I CB 1.663 39.873 38.000 0.349 0.000 1.234 313 I HN 0.424 nan 8.210 nan 0.000 0.425 314 I N 5.159 125.851 120.570 0.202 0.000 2.411 314 I HA 0.235 4.405 4.170 -0.001 0.000 0.284 314 I C -0.260 175.971 176.117 0.189 0.000 1.012 314 I CA -0.594 60.804 61.300 0.163 0.000 1.119 314 I CB 1.062 39.127 38.000 0.108 0.000 1.261 314 I HN 0.578 nan 8.210 nan 0.000 0.448 315 H N 5.981 125.123 119.070 0.120 0.000 2.620 315 H HA 0.231 4.786 4.556 -0.001 0.000 0.313 315 H C 0.099 175.518 175.328 0.153 0.000 1.075 315 H CA -0.024 56.109 56.048 0.141 0.000 1.397 315 H CB 0.688 30.528 29.762 0.131 0.000 1.446 315 H HN 0.505 nan 8.280 nan 0.000 0.493 316 N N 3.260 121.680 118.700 -0.468 0.000 2.807 316 N HA 0.140 4.880 4.740 -0.001 0.000 0.259 316 N C 0.950 176.220 175.510 -0.400 0.000 1.149 316 N CA 0.276 53.130 53.050 -0.326 0.000 1.042 316 N CB 0.182 38.592 38.487 -0.128 0.000 1.367 316 N HN 0.835 nan 8.380 nan 0.000 0.516 317 G N 1.767 110.370 108.800 -0.329 0.000 2.603 317 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.214 317 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.214 317 G C 1.267 176.382 174.900 0.358 0.000 1.140 317 G CA 0.066 45.298 45.100 0.219 0.000 0.800 317 G HN 0.524 nan 8.290 nan 0.000 0.533 318 K N 0.110 120.599 120.400 0.149 0.000 2.243 318 K HA 0.228 4.548 4.320 -0.001 0.000 0.201 318 K C 0.968 177.516 176.600 -0.088 0.000 1.051 318 K CA 0.741 57.096 56.287 0.113 0.000 0.970 318 K CB -0.102 32.416 32.500 0.030 0.000 0.755 318 K HN 0.329 nan 8.250 nan 0.000 0.465 319 G N 1.924 110.426 108.800 -0.497 0.000 2.963 319 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.262 319 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.262 319 G C -1.105 173.362 174.900 -0.722 0.000 1.043 319 G CA -0.259 44.028 45.100 -1.355 0.000 1.223 319 G HN 0.370 nan 8.290 nan 0.000 0.574 320 E N 1.679 121.597 120.200 -0.469 0.000 2.580 320 E HA 0.148 4.497 4.350 -0.001 0.000 0.248 320 E C 0.112 176.587 176.600 -0.208 0.000 1.018 320 E CA -1.019 55.214 56.400 -0.279 0.000 0.775 320 E CB 1.042 30.637 29.700 -0.174 0.000 1.378 320 E HN 0.317 nan 8.360 nan 0.000 0.401 321 K N 1.114 121.392 120.400 -0.203 0.000 2.362 321 K HA -0.143 4.176 4.320 -0.001 0.000 0.261 321 K C 1.010 177.567 176.600 -0.071 0.000 1.195 321 K CA 1.272 57.488 56.287 -0.119 0.000 1.233 321 K CB -0.136 32.305 32.500 -0.098 0.000 0.795 321 K HN 0.992 nan 8.250 nan 0.000 0.498 322 G N 1.626 110.402 108.800 -0.040 0.000 2.175 322 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.244 322 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.244 322 G C 0.867 175.759 174.900 -0.015 0.000 0.982 322 G CA 0.484 45.573 45.100 -0.017 0.000 0.641 322 G HN 0.595 nan 8.290 nan 0.000 0.527 323 S N 0.050 115.730 115.700 -0.032 0.000 2.489 323 S HA 0.315 4.785 4.470 -0.001 0.000 0.228 323 S C 1.308 175.914 174.600 0.009 0.000 0.995 323 S CA 0.977 59.164 58.200 -0.023 0.000 0.934 323 S CB -0.080 63.089 63.200 -0.051 0.000 0.771 323 S HN 1.683 nan 8.310 nan 0.000 0.522 324 S N 1.551 117.266 115.700 0.026 0.000 2.531 324 S HA 0.472 4.942 4.470 -0.001 0.000 0.279 324 S C -0.519 174.139 174.600 0.097 0.000 1.305 324 S CA -0.685 57.558 58.200 0.072 0.000 1.058 324 S CB 0.882 64.140 63.200 0.098 0.000 0.899 324 S HN 0.509 nan 8.310 nan 0.000 0.493 325 K N 1.768 122.248 120.400 0.134 0.000 2.464 325 K HA 0.535 4.855 4.320 -0.001 0.000 0.253 325 K C -2.179 174.570 176.600 0.248 0.000 0.933 325 K CA -0.899 55.477 56.287 0.148 0.000 0.801 325 K CB 1.672 34.232 32.500 0.100 0.000 1.271 325 K HN 0.785 nan 8.250 nan 0.000 0.430 326 Y N 3.378 123.721 120.300 0.072 0.000 2.299 326 Y HA 0.162 4.711 4.550 -0.001 0.000 0.318 326 Y C -2.053 173.884 175.900 0.061 0.000 1.205 326 Y CA -0.346 57.803 58.100 0.083 0.000 1.106 326 Y CB 1.348 39.861 38.460 0.088 0.000 1.246 326 Y HN 0.615 nan 8.280 nan 0.000 0.415 327 Q N 6.813 126.435 119.800 -0.296 0.000 2.284 327 Q HA 0.672 5.012 4.340 -0.001 0.000 0.269 327 Q C -2.094 173.678 176.000 -0.380 0.000 1.026 327 Q CA -0.974 54.687 55.803 -0.236 0.000 0.831 327 Q CB 2.953 31.639 28.738 -0.086 0.000 1.322 327 Q HN 0.690 nan 8.270 nan 0.000 0.419 328 I N 2.095 122.483 120.570 -0.303 0.000 2.465 328 I HA 0.350 4.520 4.170 -0.001 0.000 0.291 328 I C -0.347 175.683 176.117 -0.145 0.000 1.014 328 I CA -0.997 60.146 61.300 -0.262 0.000 1.093 328 I CB 2.240 40.090 38.000 -0.250 0.000 1.267 328 I HN 0.641 nan 8.210 nan 0.000 0.431 329 K N 4.606 124.918 120.400 -0.148 0.000 2.447 329 K HA 0.203 4.523 4.320 -0.001 0.000 0.281 329 K C 0.989 177.536 176.600 -0.088 0.000 1.031 329 K CA 1.179 57.410 56.287 -0.094 0.000 1.019 329 K CB 0.332 32.772 32.500 -0.099 0.000 0.918 329 K HN 0.938 nan 8.250 nan 0.000 0.476 330 G N 2.109 110.885 108.800 -0.040 0.000 2.176 330 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.253 330 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.253 330 G C 0.387 175.247 174.900 -0.067 0.000 0.979 330 G CA 0.268 45.333 45.100 -0.057 0.000 0.641 330 G HN 0.474 nan 8.290 nan 0.000 0.530 331 V N -0.683 119.210 119.914 -0.035 0.000 3.240 331 V HA 0.822 4.942 4.120 -0.001 0.000 0.218 331 V C 1.594 177.716 176.094 0.046 0.000 1.190 331 V CA 1.739 64.045 62.300 0.010 0.000 1.280 331 V CB 0.318 32.149 31.823 0.013 0.000 1.244 331 V HN 1.808 nan 8.190 nan 0.000 0.512 332 G N 0.623 109.455 108.800 0.052 0.000 2.367 332 G HA2 0.398 4.357 3.960 -0.001 0.000 0.272 332 G HA3 0.398 4.357 3.960 -0.001 0.000 0.272 332 G C -1.547 173.421 174.900 0.113 0.000 1.271 332 G CA -0.372 44.779 45.100 0.085 0.000 0.893 332 G HN 0.598 nan 8.290 nan 0.000 0.485 333 R N -0.452 120.147 120.500 0.164 0.000 2.725 333 R HA 0.771 5.110 4.340 -0.001 0.000 0.277 333 R C -0.622 175.812 176.300 0.222 0.000 0.987 333 R CA -1.036 55.175 56.100 0.186 0.000 0.901 333 R CB 2.032 32.422 30.300 0.150 0.000 1.207 333 R HN 0.509 nan 8.270 nan 0.000 0.463 334 R N 1.237 121.916 120.500 0.297 0.000 2.438 334 R HA 0.356 4.695 4.340 -0.001 0.000 0.287 334 R C -0.761 175.608 176.300 0.115 0.000 1.077 334 R CA -0.404 55.821 56.100 0.209 0.000 1.034 334 R CB 1.465 31.859 30.300 0.157 0.000 0.993 334 R HN 0.338 nan 8.270 nan 0.000 0.459 335 V N 2.727 122.678 119.914 0.063 0.000 2.462 335 V HA 0.289 4.408 4.120 -0.001 0.000 0.288 335 V C -0.394 175.676 176.094 -0.040 0.000 1.020 335 V CA -0.888 61.345 62.300 -0.111 0.000 0.857 335 V CB 1.647 33.174 31.823 -0.493 0.000 1.013 335 V HN 0.928 nan 8.190 nan 0.000 0.431 336 A N 7.061 129.888 122.820 0.013 0.000 2.409 336 A HA 0.744 5.064 4.320 -0.001 0.000 0.267 336 A C -2.417 175.135 177.584 -0.054 0.000 1.127 336 A CA -1.115 50.934 52.037 0.019 0.000 0.795 336 A CB 0.081 19.106 19.000 0.043 0.000 1.061 336 A HN 0.608 nan 8.150 nan 0.000 0.502 337 P HA 0.130 nan 4.420 nan 0.000 0.271 337 P C -0.082 177.147 177.300 -0.118 0.000 1.216 337 P CA -0.145 62.904 63.100 -0.085 0.000 0.776 337 P CB 0.733 32.245 31.700 -0.313 0.000 0.881 338 D N 0.875 121.277 120.400 0.004 0.000 2.317 338 D HA -0.111 4.529 4.640 -0.001 0.000 0.211 338 D C 1.597 177.892 176.300 -0.008 0.000 0.966 338 D CA 1.167 55.162 54.000 -0.007 0.000 0.876 338 D CB -0.279 40.539 40.800 0.030 0.000 0.927 338 D HN 0.551 nan 8.370 nan 0.000 0.519 339 Y N 0.303 120.550 120.300 -0.088 0.000 2.314 339 Y HA 0.054 4.603 4.550 -0.001 0.000 0.293 339 Y C 0.981 176.848 175.900 -0.055 0.000 1.129 339 Y CA 0.072 58.131 58.100 -0.068 0.000 1.201 339 Y CB -0.686 37.724 38.460 -0.083 0.000 0.999 339 Y HN -0.240 nan 8.280 nan 0.000 0.541 340 V N 5.284 124.585 119.914 -1.021 0.000 2.555 340 V HA 0.245 4.364 4.120 -0.001 0.000 0.286 340 V C -1.935 173.990 176.094 -0.283 0.000 1.044 340 V CA -2.495 59.318 62.300 -0.812 0.000 1.026 340 V CB 0.657 31.865 31.823 -1.026 0.000 0.981 340 V HN 0.242 nan 8.190 nan 0.000 0.480 341 P HA 0.288 nan 4.420 nan 0.000 0.272 341 P C -1.012 176.333 177.300 0.076 0.000 1.223 341 P CA -0.113 62.993 63.100 0.009 0.000 0.784 341 P CB 0.724 32.462 31.700 0.063 0.000 0.923 342 R N -0.294 120.258 120.500 0.087 0.000 2.836 342 R HA 0.632 4.972 4.340 -0.001 0.000 0.269 342 R C 0.266 176.644 176.300 0.130 0.000 1.010 342 R CA -0.747 55.436 56.100 0.139 0.000 0.930 342 R CB 1.722 32.082 30.300 0.099 0.000 1.218 342 R HN 0.516 nan 8.270 nan 0.000 0.473 343 T N -3.335 111.324 114.554 0.175 0.000 2.870 343 T HA 0.210 4.559 4.350 -0.001 0.000 0.277 343 T C 0.428 175.173 174.700 0.076 0.000 1.000 343 T CA -0.823 61.361 62.100 0.140 0.000 0.982 343 T CB 1.087 70.071 68.868 0.194 0.000 1.249 343 T HN 0.411 nan 8.240 nan 0.000 0.589 344 D N -0.596 119.806 120.400 0.003 0.000 2.350 344 D HA -0.027 4.612 4.640 -0.001 0.000 0.216 344 D C 0.664 176.583 176.300 -0.635 0.000 0.968 344 D CA 0.851 54.613 54.000 -0.396 0.000 0.894 344 D CB 0.170 40.536 40.800 -0.723 0.000 0.909 344 D HN 0.607 nan 8.370 nan 0.000 0.520 345 W N 0.870 122.098 121.300 -0.121 0.000 3.220 345 W HA 0.052 4.712 4.660 -0.000 0.000 0.328 345 W C -0.055 176.541 176.519 0.128 0.000 1.205 345 W CA -0.310 56.977 57.345 -0.096 0.000 1.773 345 W CB 0.572 29.824 29.460 -0.346 0.000 1.086 345 W HN -0.067 nan 8.180 nan 0.000 0.622 346 D N -0.449 120.108 120.400 0.262 0.000 2.809 346 D HA -0.154 4.486 4.640 -0.001 0.000 0.234 346 D C -0.806 175.800 176.300 0.510 0.000 1.111 346 D CA 0.987 55.166 54.000 0.298 0.000 0.726 346 D CB -1.594 39.321 40.800 0.191 0.000 1.089 346 D HN 0.080 nan 8.370 nan 0.000 0.436 347 W N 0.829 122.249 121.300 0.201 0.000 2.433 347 W HA 0.445 5.105 4.660 -0.001 0.000 0.315 347 W C 0.686 177.342 176.519 0.229 0.000 1.087 347 W CA -0.842 56.630 57.345 0.211 0.000 1.205 347 W CB 0.483 30.083 29.460 0.232 0.000 1.288 347 W HN -0.090 nan 8.180 nan 0.000 0.504 348 I N 4.755 125.578 120.570 0.422 0.000 2.575 348 I HA 0.134 4.304 4.170 -0.001 0.000 0.285 348 I C 0.309 176.712 176.117 0.476 0.000 1.085 348 I CA -0.884 60.645 61.300 0.381 0.000 1.403 348 I CB 0.357 38.598 38.000 0.401 0.000 1.409 348 I HN 0.260 nan 8.210 nan 0.000 0.557 349 I N 6.988 127.821 120.570 0.438 0.000 2.361 349 I HA 0.104 4.274 4.170 -0.001 0.000 0.282 349 I C -0.980 175.407 176.117 0.450 0.000 1.075 349 I CA -0.314 61.283 61.300 0.495 0.000 1.205 349 I CB 0.080 38.355 38.000 0.458 0.000 1.406 349 I HN 0.417 nan 8.210 nan 0.000 0.481 350 Y N 8.438 128.941 120.300 0.338 0.000 2.681 350 Y HA 0.400 4.949 4.550 -0.000 0.000 0.347 350 Y C -2.195 173.850 175.900 0.241 0.000 1.029 350 Y CA -2.366 55.911 58.100 0.294 0.000 1.279 350 Y CB 1.035 39.762 38.460 0.445 0.000 1.096 350 Y HN 0.335 nan 8.280 nan 0.000 0.580 351 P HA -0.239 nan 4.420 nan 0.000 0.216 351 P C 1.371 178.402 177.300 -0.448 0.000 1.157 351 P CA 1.781 64.531 63.100 -0.583 0.000 0.880 351 P CB 0.373 31.725 31.700 -0.579 0.000 0.791 352 E N -0.731 119.128 120.200 -0.569 0.000 2.219 352 E HA -0.161 4.189 4.350 -0.001 0.000 0.198 352 E C 2.110 178.612 176.600 -0.164 0.000 0.998 352 E CA 1.166 57.321 56.400 -0.409 0.000 0.818 352 E CB -0.806 28.601 29.700 -0.487 0.000 0.741 352 E HN 0.217 nan 8.360 nan 0.000 0.477 353 G N 1.143 109.899 108.800 -0.073 0.000 2.448 353 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.219 353 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.219 353 G C 1.484 176.240 174.900 -0.240 0.000 1.127 353 G CA 0.247 45.532 45.100 0.310 0.000 0.766 353 G HN 0.211 nan 8.290 nan 0.000 0.552 354 L N -1.136 119.650 121.223 -0.728 0.000 2.007 354 L HA 0.000 4.340 4.340 -0.001 0.000 0.205 354 L C 2.524 179.205 176.870 -0.314 0.000 1.073 354 L CA 1.468 55.737 54.840 -0.952 0.000 0.744 354 L CB -0.392 41.264 42.059 -0.672 0.000 0.898 354 L HN 0.327 nan 8.230 nan 0.000 0.435 355 Y N 1.067 121.205 120.300 -0.269 0.000 2.139 355 Y HA -0.378 4.172 4.550 -0.001 0.000 0.282 355 Y C 2.277 178.113 175.900 -0.106 0.000 1.179 355 Y CA 2.230 60.243 58.100 -0.145 0.000 1.161 355 Y CB -0.255 38.136 38.460 -0.115 0.000 0.970 355 Y HN 0.344 nan 8.280 nan 0.000 0.511 356 D N -0.383 120.098 120.400 0.134 0.000 2.144 356 D HA -0.182 4.457 4.640 -0.001 0.000 0.199 356 D C 2.050 178.320 176.300 -0.051 0.000 0.984 356 D CA 1.445 55.501 54.000 0.094 0.000 0.834 356 D CB -0.321 40.596 40.800 0.195 0.000 0.955 356 D HN 0.383 nan 8.370 nan 0.000 0.465 357 Q N 0.281 120.024 119.800 -0.095 0.000 2.123 357 Q HA 0.028 4.367 4.340 -0.001 0.000 0.199 357 Q C 2.159 178.083 176.000 -0.126 0.000 0.966 357 Q CA 0.688 56.439 55.803 -0.087 0.000 0.845 357 Q CB -0.240 28.471 28.738 -0.046 0.000 0.907 357 Q HN 0.324 nan 8.270 nan 0.000 0.439 358 I N -0.433 120.024 120.570 -0.187 0.000 2.163 358 I HA -0.299 3.871 4.170 -0.001 0.000 0.243 358 I C 1.842 177.779 176.117 -0.299 0.000 1.085 358 I CA 0.958 62.114 61.300 -0.240 0.000 1.347 358 I CB -0.291 37.549 38.000 -0.266 0.000 1.044 358 I HN 0.269 nan 8.210 nan 0.000 0.408 359 M N -0.160 119.244 119.600 -0.326 0.000 2.175 359 M HA -0.138 4.341 4.480 -0.001 0.000 0.264 359 M C 2.269 178.457 176.300 -0.186 0.000 1.063 359 M CA 1.406 56.540 55.300 -0.277 0.000 1.119 359 M CB -1.409 31.036 32.600 -0.258 0.000 1.377 359 M HN 0.220 nan 8.290 nan 0.000 0.415 360 R N 0.859 121.274 120.500 -0.142 0.000 2.080 360 R HA -0.105 4.234 4.340 -0.001 0.000 0.236 360 R C 1.991 178.220 176.300 -0.118 0.000 1.137 360 R CA 1.678 57.716 56.100 -0.104 0.000 0.943 360 R CB -0.775 29.489 30.300 -0.061 0.000 0.846 360 R HN 0.282 nan 8.270 nan 0.000 0.431 361 V N 2.169 122.022 119.914 -0.101 0.000 2.343 361 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 361 V C 2.713 178.672 176.094 -0.225 0.000 1.051 361 V CA 2.250 64.516 62.300 -0.057 0.000 1.036 361 V CB -0.681 31.078 31.823 -0.107 0.000 0.654 361 V HN 0.423 nan 8.190 nan 0.000 0.451 362 K N 0.407 120.574 120.400 -0.389 0.000 2.063 362 K HA -0.220 4.100 4.320 -0.001 0.000 0.208 362 K C 1.944 178.458 176.600 -0.143 0.000 1.048 362 K CA 2.083 58.132 56.287 -0.395 0.000 0.928 362 K CB -0.228 32.070 32.500 -0.336 0.000 0.713 362 K HN 0.582 nan 8.250 nan 0.000 0.442 363 N N 0.331 118.940 118.700 -0.152 0.000 2.251 363 N HA -0.097 4.643 4.740 -0.001 0.000 0.181 363 N C 1.219 176.616 175.510 -0.190 0.000 1.019 363 N CA 1.098 54.074 53.050 -0.122 0.000 0.862 363 N CB -0.069 38.355 38.487 -0.105 0.000 0.992 363 N HN 0.220 nan 8.380 nan 0.000 0.429 364 D N 0.116 120.319 120.400 -0.327 0.000 2.144 364 D HA -0.077 4.562 4.640 -0.001 0.000 0.200 364 D C -0.201 175.611 176.300 -0.813 0.000 0.978 364 D CA 1.309 54.912 54.000 -0.661 0.000 0.833 364 D CB 0.038 40.239 40.800 -0.999 0.000 0.961 364 D HN 0.336 nan 8.370 nan 0.000 0.470 365 Y N -1.735 118.523 120.300 -0.071 0.000 2.535 365 Y HA 0.309 4.858 4.550 -0.001 0.000 0.341 365 Y C -1.962 173.917 175.900 -0.035 0.000 1.041 365 Y CA -2.091 55.953 58.100 -0.095 0.000 1.307 365 Y CB 1.787 40.100 38.460 -0.245 0.000 1.095 365 Y HN -0.154 nan 8.280 nan 0.000 0.534 366 P HA -0.180 nan 4.420 nan 0.000 0.215 366 P C 1.180 178.548 177.300 0.113 0.000 1.153 366 P CA 1.681 64.885 63.100 0.173 0.000 0.853 366 P CB 0.289 32.036 31.700 0.079 0.000 0.788 367 N N 0.274 119.012 118.700 0.064 0.000 2.651 367 N HA -0.217 4.523 4.740 -0.001 0.000 0.193 367 N C 1.324 176.812 175.510 -0.037 0.000 1.149 367 N CA 0.938 54.003 53.050 0.025 0.000 0.933 367 N CB -1.628 36.937 38.487 0.129 0.000 0.974 367 N HN 0.387 nan 8.380 nan 0.000 0.448 368 Y N 0.095 120.267 120.300 -0.213 0.000 2.403 368 Y HA 0.000 4.550 4.550 -0.000 0.000 0.291 368 Y C 1.381 177.282 175.900 0.002 0.000 1.143 368 Y CA 0.470 58.432 58.100 -0.230 0.000 1.257 368 Y CB -0.161 38.127 38.460 -0.286 0.000 0.984 368 Y HN -0.008 nan 8.280 nan 0.000 0.550 369 K N -0.004 119.947 120.400 -0.749 0.000 11.112 369 K HA -0.332 3.988 4.320 -0.001 0.000 0.520 369 K C -0.026 176.211 176.600 -0.605 0.000 0.409 369 K CA 2.355 58.325 56.287 -0.528 0.000 1.888 369 K CB -1.383 31.033 32.500 -0.139 0.000 0.791 369 K HN 0.605 nan 8.250 nan 0.000 1.246 370 K N 0.770 121.060 120.400 -0.182 0.000 2.482 370 K HA 0.736 5.055 4.320 -0.001 0.000 0.257 370 K C -1.049 175.650 176.600 0.165 0.000 0.969 370 K CA -0.923 55.356 56.287 -0.013 0.000 0.842 370 K CB 2.170 34.604 32.500 -0.111 0.000 1.359 370 K HN 0.247 nan 8.250 nan 0.000 0.441 371 I N 1.228 121.845 120.570 0.078 0.000 2.603 371 I HA 0.404 4.574 4.170 -0.001 0.000 0.300 371 I C -1.403 174.634 176.117 -0.133 0.000 1.017 371 I CA -1.128 60.215 61.300 0.070 0.000 1.098 371 I CB 1.645 39.705 38.000 0.101 0.000 1.279 371 I HN 0.543 nan 8.210 nan 0.000 0.437 372 Y N 5.044 125.441 120.300 0.161 0.000 2.386 372 Y HA 0.389 4.938 4.550 -0.001 0.000 0.334 372 Y C -0.293 175.667 175.900 0.101 0.000 1.002 372 Y CA -0.980 57.176 58.100 0.092 0.000 1.068 372 Y CB 1.697 40.178 38.460 0.034 0.000 1.203 372 Y HN 0.219 nan 8.280 nan 0.000 0.443 373 I N 3.873 124.623 120.570 0.299 0.000 2.278 373 I HA 0.025 4.195 4.170 -0.001 0.000 0.300 373 I C 1.311 177.517 176.117 0.148 0.000 1.174 373 I CA 0.112 61.528 61.300 0.193 0.000 1.347 373 I CB -0.519 37.612 38.000 0.219 0.000 1.473 373 I HN 0.716 nan 8.210 nan 0.000 0.595 374 T N 1.525 116.092 114.554 0.020 0.000 3.215 374 T HA 0.174 4.524 4.350 -0.001 0.000 0.254 374 T C 0.515 175.140 174.700 -0.126 0.000 1.149 374 T CA 0.155 62.119 62.100 -0.226 0.000 1.042 374 T CB 0.148 68.850 68.868 -0.276 0.000 0.966 374 T HN 0.569 nan 8.240 nan 0.000 0.534 375 E N 0.259 120.404 120.200 -0.090 0.000 2.472 375 E HA 0.401 4.751 4.350 -0.001 0.000 0.290 375 E C -1.666 174.728 176.600 -0.343 0.000 1.059 375 E CA -0.693 55.634 56.400 -0.122 0.000 0.861 375 E CB 1.236 30.863 29.700 -0.122 0.000 1.213 375 E HN 0.267 nan 8.360 nan 0.000 0.425 376 N N 2.011 120.529 118.700 -0.303 0.000 4.526 376 N HA 0.443 5.182 4.740 -0.001 0.000 0.186 376 N C -1.397 174.241 175.510 0.215 0.000 1.053 376 N CA 0.243 53.133 53.050 -0.267 0.000 1.091 376 N CB 1.528 39.983 38.487 -0.054 0.000 1.605 376 N HN 0.669 nan 8.380 nan 0.000 0.717 377 G N 0.742 109.819 108.800 0.462 0.000 2.321 377 G HA2 0.447 4.407 3.960 -0.001 0.000 0.296 377 G HA3 0.447 4.407 3.960 -0.001 0.000 0.296 377 G C -2.442 172.526 174.900 0.112 0.000 1.287 377 G CA -0.653 44.692 45.100 0.408 0.000 0.846 377 G HN 0.550 nan 8.290 nan 0.000 0.508 378 L N 0.446 121.669 121.223 -0.001 0.000 2.476 378 L HA 0.802 5.142 4.340 -0.001 0.000 0.269 378 L C 0.120 176.763 176.870 -0.379 0.000 0.965 378 L CA 0.088 54.774 54.840 -0.257 0.000 0.845 378 L CB 1.885 43.675 42.059 -0.448 0.000 1.259 378 L HN 1.225 nan 8.230 nan 0.000 0.403 379 G N 3.741 111.983 108.800 -0.930 0.000 2.487 379 G HA2 0.578 4.538 3.960 -0.001 0.000 0.314 379 G HA3 0.578 4.538 3.960 -0.001 0.000 0.314 379 G C -1.563 172.903 174.900 -0.724 0.000 1.267 379 G CA -0.286 44.001 45.100 -1.355 0.000 0.937 379 G HN 0.652 nan 8.290 nan 0.000 0.481 380 Y N -0.796 119.197 120.300 -0.512 0.000 2.818 380 Y HA 0.654 5.204 4.550 -0.001 0.000 0.322 380 Y C -0.004 175.808 175.900 -0.146 0.000 1.323 380 Y CA -1.758 56.199 58.100 -0.240 0.000 1.090 380 Y CB 1.173 39.592 38.460 -0.069 0.000 1.328 380 Y HN 0.255 nan 8.280 nan 0.000 0.482 381 K N 1.762 122.275 120.400 0.187 0.000 2.307 381 K HA 0.160 4.480 4.320 -0.001 0.000 0.240 381 K C -1.346 175.306 176.600 0.086 0.000 1.214 381 K CA -0.147 56.187 56.287 0.077 0.000 1.149 381 K CB -0.729 31.844 32.500 0.122 0.000 1.668 381 K HN 0.535 nan 8.250 nan 0.000 0.314 382 D N 2.398 122.728 120.400 -0.117 0.000 2.601 382 D HA -0.143 4.497 4.640 -0.001 0.000 0.229 382 D C 0.008 176.374 176.300 0.108 0.000 1.140 382 D CA 0.894 54.857 54.000 -0.062 0.000 0.862 382 D CB 0.549 41.269 40.800 -0.133 0.000 1.192 382 D HN 0.356 nan 8.370 nan 0.000 0.480 383 E N 1.685 121.961 120.200 0.127 0.000 2.133 383 E HA 0.212 4.561 4.350 -0.001 0.000 0.274 383 E C -1.207 175.438 176.600 0.075 0.000 0.930 383 E CA -0.788 55.686 56.400 0.122 0.000 0.770 383 E CB 0.569 30.332 29.700 0.105 0.000 1.104 383 E HN 0.309 nan 8.360 nan 0.000 0.403 384 F N 6.459 126.334 119.950 -0.125 0.000 2.466 384 F HA 0.254 4.780 4.527 -0.001 0.000 0.363 384 F C -0.772 174.882 175.800 -0.244 0.000 1.109 384 F CA -0.181 57.599 58.000 -0.365 0.000 1.161 384 F CB 0.363 39.035 39.000 -0.546 0.000 1.117 384 F HN 0.209 nan 8.300 nan 0.000 0.539 385 V N 2.162 121.740 119.914 -0.559 0.000 2.841 385 V HA 0.411 4.531 4.120 -0.001 0.000 0.310 385 V C -0.278 175.503 176.094 -0.522 0.000 1.090 385 V CA -1.276 60.808 62.300 -0.359 0.000 0.930 385 V CB 1.755 33.555 31.823 -0.038 0.000 1.014 385 V HN 0.672 nan 8.190 nan 0.000 0.425 386 D N 1.905 122.097 120.400 -0.347 0.000 2.955 386 D HA -0.216 4.423 4.640 -0.001 0.000 0.226 386 D C 0.394 176.392 176.300 -0.503 0.000 1.178 386 D CA 1.506 55.335 54.000 -0.285 0.000 0.808 386 D CB -0.824 39.921 40.800 -0.092 0.000 1.099 386 D HN 1.031 nan 8.370 nan 0.000 0.421 387 N N -1.046 117.037 118.700 -1.028 0.000 2.738 387 N HA -0.191 4.549 4.740 -0.001 0.000 0.249 387 N C -0.163 174.742 175.510 -1.007 0.000 1.047 387 N CA 1.803 53.954 53.050 -1.498 0.000 0.707 387 N CB -1.486 36.771 38.487 -0.384 0.000 0.937 387 N HN 0.494 nan 8.380 nan 0.000 0.545 388 T N -2.478 111.383 114.554 -1.155 0.000 2.630 388 T HA 0.712 5.062 4.350 -0.001 0.000 0.300 388 T C -0.776 173.489 174.700 -0.725 0.000 1.261 388 T CA -0.519 61.183 62.100 -0.664 0.000 1.060 388 T CB 2.328 70.820 68.868 -0.626 0.000 1.670 388 T HN -0.135 nan 8.240 nan 0.000 0.473 389 V N 1.192 120.764 119.914 -0.570 0.000 2.697 389 V HA 0.292 4.411 4.120 -0.001 0.000 0.300 389 V C -1.676 174.181 176.094 -0.396 0.000 1.115 389 V CA -0.850 61.219 62.300 -0.385 0.000 0.912 389 V CB 1.501 33.242 31.823 -0.136 0.000 1.024 389 V HN 0.886 nan 8.190 nan 0.000 0.431 390 Y N 2.956 123.224 120.300 -0.054 0.000 2.851 390 Y HA 0.189 4.739 4.550 -0.001 0.000 0.369 390 Y C 1.136 177.049 175.900 0.021 0.000 1.226 390 Y CA -1.241 56.843 58.100 -0.027 0.000 1.949 390 Y CB -0.450 37.987 38.460 -0.039 0.000 2.059 390 Y HN 0.791 nan 8.280 nan 0.000 0.420 391 D N -1.875 118.584 120.400 0.098 0.000 2.885 391 D HA -0.041 4.599 4.640 -0.001 0.000 0.234 391 D C 0.272 176.640 176.300 0.113 0.000 1.129 391 D CA 0.016 54.108 54.000 0.154 0.000 0.991 391 D CB -0.051 40.791 40.800 0.069 0.000 1.137 391 D HN 0.350 nan 8.370 nan 0.000 0.459 392 D N 0.042 120.498 120.400 0.094 0.000 2.309 392 D HA -0.044 4.596 4.640 -0.001 0.000 0.212 392 D C 2.230 178.531 176.300 0.003 0.000 0.968 392 D CA 1.328 55.337 54.000 0.014 0.000 0.882 392 D CB 0.088 40.894 40.800 0.009 0.000 0.918 392 D HN 0.509 nan 8.370 nan 0.000 0.503 393 G N 0.623 109.456 108.800 0.056 0.000 2.453 393 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.215 393 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.215 393 G C 1.561 176.519 174.900 0.097 0.000 1.201 393 G CA 0.601 45.717 45.100 0.026 0.000 0.784 393 G HN 0.187 nan 8.290 nan 0.000 0.545 394 R N 0.209 120.822 120.500 0.189 0.000 2.083 394 R HA -0.045 4.295 4.340 -0.001 0.000 0.237 394 R C 2.636 178.977 176.300 0.068 0.000 1.137 394 R CA 1.490 57.684 56.100 0.157 0.000 0.951 394 R CB -0.397 29.975 30.300 0.120 0.000 0.851 394 R HN 0.439 nan 8.270 nan 0.000 0.434 395 I N 0.911 121.423 120.570 -0.096 0.000 2.151 395 I HA -0.310 3.859 4.170 -0.001 0.000 0.243 395 I C 2.161 178.045 176.117 -0.388 0.000 1.080 395 I CA 1.817 62.837 61.300 -0.465 0.000 1.339 395 I CB -0.620 36.969 38.000 -0.685 0.000 1.039 395 I HN 0.351 nan 8.210 nan 0.000 0.409 396 D N 0.368 120.675 120.400 -0.154 0.000 2.097 396 D HA -0.279 4.361 4.640 -0.001 0.000 0.195 396 D C 2.157 178.543 176.300 0.142 0.000 0.989 396 D CA 1.503 55.486 54.000 -0.028 0.000 0.827 396 D CB -0.245 40.561 40.800 0.011 0.000 0.966 396 D HN 0.367 nan 8.370 nan 0.000 0.456 397 Y N 0.669 121.022 120.300 0.088 0.000 2.070 397 Y HA -0.185 4.365 4.550 -0.001 0.000 0.280 397 Y C 2.237 178.311 175.900 0.290 0.000 1.148 397 Y CA 1.679 59.908 58.100 0.216 0.000 1.125 397 Y CB -0.755 37.824 38.460 0.200 0.000 0.975 397 Y HN -0.076 nan 8.280 nan 0.000 0.492 398 V N 1.555 121.833 119.914 0.606 0.000 2.392 398 V HA -0.327 3.793 4.120 -0.001 0.000 0.249 398 V C 2.512 178.857 176.094 0.418 0.000 1.059 398 V CA 2.351 64.978 62.300 0.545 0.000 1.051 398 V CB -0.768 31.373 31.823 0.531 0.000 0.658 398 V HN 0.475 nan 8.190 nan 0.000 0.455 399 K N -0.122 120.448 120.400 0.284 0.000 2.002 399 K HA -0.260 4.060 4.320 -0.001 0.000 0.209 399 K C 2.211 178.955 176.600 0.240 0.000 1.048 399 K CA 1.996 58.477 56.287 0.322 0.000 0.930 399 K CB -0.255 32.325 32.500 0.133 0.000 0.714 399 K HN 0.522 nan 8.250 nan 0.000 0.438 400 Q N -0.421 119.491 119.800 0.187 0.000 2.062 400 Q HA -0.244 4.096 4.340 -0.001 0.000 0.209 400 Q C 2.137 178.180 176.000 0.073 0.000 0.996 400 Q CA 2.269 58.133 55.803 0.102 0.000 0.859 400 Q CB -0.391 28.384 28.738 0.062 0.000 0.920 400 Q HN 0.535 nan 8.270 nan 0.000 0.415 401 H N 0.108 119.208 119.070 0.050 0.000 2.352 401 H HA -0.104 4.452 4.556 -0.001 0.000 0.299 401 H C 1.942 177.334 175.328 0.107 0.000 1.097 401 H CA 1.373 57.478 56.048 0.095 0.000 1.311 401 H CB -0.180 29.703 29.762 0.203 0.000 1.377 401 H HN 0.145 nan 8.280 nan 0.000 0.504 402 L N -0.026 121.306 121.223 0.181 0.000 2.141 402 L HA -0.117 4.223 4.340 -0.001 0.000 0.209 402 L C 2.313 179.205 176.870 0.036 0.000 1.094 402 L CA 1.029 55.891 54.840 0.037 0.000 0.763 402 L CB -0.257 41.789 42.059 -0.022 0.000 0.908 402 L HN 0.336 nan 8.230 nan 0.000 0.437 403 E N 0.022 120.259 120.200 0.061 0.000 2.051 403 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 403 E C 2.135 178.741 176.600 0.010 0.000 0.991 403 E CA 1.853 58.270 56.400 0.029 0.000 0.799 403 E CB -0.033 29.683 29.700 0.027 0.000 0.748 403 E HN 0.458 nan 8.360 nan 0.000 0.449 404 V N -0.875 119.041 119.914 0.003 0.000 3.141 404 V HA -0.096 4.024 4.120 -0.001 0.000 0.265 404 V C 2.001 178.165 176.094 0.117 0.000 1.126 404 V CA 0.907 63.221 62.300 0.023 0.000 1.141 404 V CB -0.527 31.274 31.823 -0.035 0.000 0.743 404 V HN 0.176 nan 8.190 nan 0.000 0.492 405 L N 0.402 121.678 121.223 0.088 0.000 2.056 405 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 405 L C 2.873 179.779 176.870 0.060 0.000 1.078 405 L CA 1.794 56.695 54.840 0.102 0.000 0.749 405 L CB -0.498 41.626 42.059 0.109 0.000 0.901 405 L HN 0.366 nan 8.230 nan 0.000 0.433 406 S N -0.160 115.546 115.700 0.011 0.000 2.359 406 S HA -0.202 4.268 4.470 -0.001 0.000 0.224 406 S C 1.465 176.097 174.600 0.053 0.000 1.035 406 S CA 1.567 59.763 58.200 -0.007 0.000 1.018 406 S CB -0.335 62.849 63.200 -0.027 0.000 0.876 406 S HN 0.457 nan 8.310 nan 0.000 0.448 407 D N 1.977 122.434 120.400 0.094 0.000 2.092 407 D HA -0.069 4.571 4.640 -0.001 0.000 0.193 407 D C 2.195 178.679 176.300 0.306 0.000 0.994 407 D CA 1.407 55.507 54.000 0.167 0.000 0.828 407 D CB -0.747 40.107 40.800 0.091 0.000 0.963 407 D HN 0.386 nan 8.370 nan 0.000 0.450 408 A N 0.663 123.682 122.820 0.332 0.000 1.948 408 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 408 A C 2.404 179.996 177.584 0.012 0.000 1.177 408 A CA 1.178 53.222 52.037 0.012 0.000 0.636 408 A CB -0.793 18.125 19.000 -0.135 0.000 0.815 408 A HN 0.223 nan 8.150 nan 0.000 0.449 409 I N -0.513 120.091 120.570 0.057 0.000 2.133 409 I HA -0.265 3.905 4.170 -0.001 0.000 0.238 409 I C 3.010 179.159 176.117 0.053 0.000 1.074 409 I CA 1.090 62.423 61.300 0.055 0.000 1.342 409 I CB -0.522 37.511 38.000 0.056 0.000 1.053 409 I HN 0.357 nan 8.210 nan 0.000 0.404 410 A N 0.247 123.102 122.820 0.059 0.000 1.986 410 A HA -0.269 4.051 4.320 -0.001 0.000 0.220 410 A C 1.375 178.996 177.584 0.061 0.000 1.171 410 A CA 2.267 54.337 52.037 0.055 0.000 0.640 410 A CB -0.758 18.274 19.000 0.053 0.000 0.811 410 A HN 0.452 nan 8.150 nan 0.000 0.451 411 D N -1.991 118.456 120.400 0.080 0.000 2.460 411 D HA 0.403 5.043 4.640 -0.001 0.000 0.229 411 D C 1.109 177.428 176.300 0.031 0.000 1.170 411 D CA 1.022 55.066 54.000 0.073 0.000 0.827 411 D CB 0.184 41.071 40.800 0.145 0.000 0.973 411 D HN 0.516 nan 8.370 nan 0.000 0.496 412 G N -0.038 108.780 108.800 0.031 0.000 2.213 412 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.236 412 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.236 412 G C 0.566 175.494 174.900 0.047 0.000 0.991 412 G CA -0.169 44.951 45.100 0.033 0.000 0.629 412 G HN 0.568 nan 8.290 nan 0.000 0.517 413 A N 0.178 123.005 122.820 0.012 0.000 2.366 413 A HA 0.631 4.951 4.320 -0.001 0.000 0.272 413 A C 0.390 178.035 177.584 0.101 0.000 1.135 413 A CA 0.359 52.412 52.037 0.026 0.000 0.804 413 A CB 0.367 19.309 19.000 -0.097 0.000 1.064 413 A HN 0.637 nan 8.150 nan 0.000 0.499 414 N N 2.697 121.524 118.700 0.212 0.000 2.968 414 N HA 0.283 5.023 4.740 -0.001 0.000 0.271 414 N C -1.050 174.535 175.510 0.125 0.000 1.174 414 N CA 0.023 53.163 53.050 0.150 0.000 1.096 414 N CB 0.040 38.585 38.487 0.096 0.000 1.403 414 N HN 0.252 nan 8.380 nan 0.000 0.522 415 V N 3.831 123.809 119.914 0.106 0.000 2.370 415 V HA 0.252 4.371 4.120 -0.001 0.000 0.279 415 V C 0.957 177.117 176.094 0.110 0.000 1.029 415 V CA -0.467 61.892 62.300 0.098 0.000 0.870 415 V CB 1.451 33.374 31.823 0.166 0.000 0.984 415 V HN 0.442 nan 8.190 nan 0.000 0.451 416 K N 3.294 123.621 120.400 -0.122 0.000 2.373 416 K HA 0.430 4.750 4.320 -0.001 0.000 0.202 416 K C 0.540 176.814 176.600 -0.543 0.000 1.025 416 K CA 0.199 56.366 56.287 -0.200 0.000 1.115 416 K CB 1.451 33.806 32.500 -0.241 0.000 0.858 416 K HN 0.837 nan 8.250 nan 0.000 0.525 417 G N 0.600 108.997 108.800 -0.671 0.000 2.387 417 G HA2 0.288 4.247 3.960 -0.001 0.000 0.294 417 G HA3 0.288 4.247 3.960 -0.001 0.000 0.294 417 G C -2.466 172.230 174.900 -0.340 0.000 1.509 417 G CA -0.702 43.741 45.100 -1.095 0.000 0.806 417 G HN 0.047 nan 8.290 nan 0.000 0.546 418 Y N -0.111 119.888 120.300 -0.503 0.000 2.442 418 Y HA 0.768 5.318 4.550 -0.001 0.000 0.344 418 Y C -1.599 174.158 175.900 -0.239 0.000 0.976 418 Y CA -1.420 56.670 58.100 -0.018 0.000 1.040 418 Y CB 1.999 40.617 38.460 0.264 0.000 1.228 418 Y HN 0.421 nan 8.280 nan 0.000 0.451 419 F N 7.494 127.273 119.950 -0.286 0.000 2.610 419 F HA 0.385 4.911 4.527 -0.001 0.000 0.355 419 F C -0.110 175.538 175.800 -0.254 0.000 1.140 419 F CA -0.834 57.066 58.000 -0.167 0.000 1.037 419 F CB 1.124 40.012 39.000 -0.186 0.000 1.287 419 F HN 0.408 nan 8.300 nan 0.000 0.457 420 I N 3.975 124.600 120.570 0.091 0.000 2.754 420 I HA 0.067 4.237 4.170 -0.001 0.000 0.285 420 I C -0.728 175.499 176.117 0.183 0.000 1.166 420 I CA -0.147 61.226 61.300 0.122 0.000 1.417 420 I CB 0.900 38.976 38.000 0.126 0.000 1.382 420 I HN 0.728 nan 8.210 nan 0.000 0.588 421 W N 8.113 129.437 121.300 0.039 0.000 2.471 421 W HA 0.462 5.121 4.660 -0.001 0.000 0.318 421 W C -1.057 175.478 176.519 0.027 0.000 1.034 421 W CA -0.626 56.722 57.345 0.005 0.000 1.224 421 W CB 1.712 31.171 29.460 -0.001 0.000 1.335 421 W HN 0.671 nan 8.180 nan 0.000 0.452 422 S N 4.262 119.566 115.700 -0.660 0.000 2.768 422 S HA 0.395 4.864 4.470 -0.001 0.000 0.300 422 S C 0.436 174.833 174.600 -0.338 0.000 1.122 422 S CA -0.775 56.879 58.200 -0.909 0.000 0.995 422 S CB 1.832 64.237 63.200 -1.326 0.000 1.195 422 S HN 0.550 nan 8.310 nan 0.000 0.547 423 L N 0.002 121.069 121.223 -0.261 0.000 2.007 423 L HA 0.251 4.590 4.340 -0.001 0.000 0.205 423 L C 0.726 177.642 176.870 0.077 0.000 1.073 423 L CA 1.538 56.363 54.840 -0.025 0.000 0.744 423 L CB -0.533 41.520 42.059 -0.011 0.000 0.898 423 L HN 0.854 nan 8.230 nan 0.000 0.435 424 M N -1.376 118.200 119.600 -0.040 0.000 2.777 424 M HA 0.406 4.885 4.480 -0.001 0.000 0.307 424 M C -1.024 175.208 176.300 -0.115 0.000 1.228 424 M CA -0.827 54.489 55.300 0.026 0.000 0.871 424 M CB 0.357 32.971 32.600 0.022 0.000 1.721 424 M HN -0.135 nan 8.290 nan 0.000 0.487 425 D N 2.083 122.426 120.400 -0.094 0.000 2.455 425 D HA 0.378 5.018 4.640 -0.001 0.000 0.241 425 D C 0.127 176.451 176.300 0.039 0.000 1.138 425 D CA 0.222 54.177 54.000 -0.075 0.000 0.877 425 D CB 0.855 41.560 40.800 -0.158 0.000 1.187 425 D HN 0.615 nan 8.370 nan 0.000 0.451 426 V N 0.022 119.899 119.914 -0.062 0.000 3.141 426 V HA 0.596 4.715 4.120 -0.001 0.000 0.312 426 V C -0.403 175.469 176.094 -0.370 0.000 1.157 426 V CA -1.251 60.941 62.300 -0.180 0.000 1.041 426 V CB 1.738 33.349 31.823 -0.354 0.000 1.071 426 V HN 0.314 nan 8.190 nan 0.000 0.441 427 F N 2.155 121.632 119.950 -0.789 0.000 2.506 427 F HA 0.603 5.129 4.527 -0.000 0.000 0.351 427 F C 0.614 175.939 175.800 -0.792 0.000 1.136 427 F CA 1.072 58.401 58.000 -1.118 0.000 1.298 427 F CB 1.070 39.397 39.000 -1.122 0.000 1.145 427 F HN 0.908 nan 8.300 nan 0.000 0.593 428 S N 5.185 120.029 115.700 -1.427 0.000 2.482 428 S HA 0.269 4.739 4.470 -0.001 0.000 0.303 428 S C 0.373 174.391 174.600 -0.970 0.000 1.091 428 S CA -0.818 56.818 58.200 -0.941 0.000 1.057 428 S CB 0.474 63.350 63.200 -0.539 0.000 1.031 428 S HN 0.841 nan 8.310 nan 0.000 0.485 429 W N 2.891 124.027 121.300 -0.273 0.000 2.333 429 W HA -0.102 4.557 4.660 -0.001 0.000 0.316 429 W C 2.390 178.975 176.519 0.110 0.000 1.215 429 W CA 1.117 58.399 57.345 -0.104 0.000 1.278 429 W CB -0.344 29.119 29.460 0.005 0.000 1.154 429 W HN 0.638 nan 8.180 nan 0.000 0.486 430 S N -1.073 114.913 115.700 0.476 0.000 2.503 430 S HA 0.009 4.479 4.470 -0.001 0.000 0.215 430 S C 0.769 175.648 174.600 0.465 0.000 1.003 430 S CA 0.500 59.068 58.200 0.615 0.000 0.910 430 S CB -0.126 63.493 63.200 0.699 0.000 0.790 430 S HN 0.271 nan 8.310 nan 0.000 0.514 431 N N 0.603 119.363 118.700 0.100 0.000 2.171 431 N HA 0.394 5.134 4.740 -0.001 0.000 0.212 431 N C 0.792 176.029 175.510 -0.455 0.000 1.184 431 N CA 0.324 53.335 53.050 -0.065 0.000 0.888 431 N CB 1.094 39.467 38.487 -0.191 0.000 1.038 431 N HN 0.341 nan 8.380 nan 0.000 0.517 432 G N 1.132 109.300 108.800 -1.054 0.000 2.569 432 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.259 432 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.259 432 G C -0.170 174.133 174.900 -0.995 0.000 1.263 432 G CA 0.029 44.068 45.100 -1.769 0.000 0.928 432 G HN 0.305 nan 8.290 nan 0.000 0.572 433 Y N 1.831 121.641 120.300 -0.816 0.000 2.470 433 Y HA 0.258 4.807 4.550 -0.001 0.000 0.302 433 Y C 2.462 178.161 175.900 -0.336 0.000 1.194 433 Y CA 0.928 58.640 58.100 -0.646 0.000 1.271 433 Y CB 0.235 38.194 38.460 -0.834 0.000 1.092 433 Y HN 0.417 nan 8.280 nan 0.000 0.513 434 E N 0.376 120.456 120.200 -0.200 0.000 2.140 434 E HA -0.047 4.303 4.350 -0.001 0.000 0.191 434 E C 0.639 177.130 176.600 -0.180 0.000 0.973 434 E CA 0.374 56.703 56.400 -0.119 0.000 0.829 434 E CB 0.072 29.730 29.700 -0.070 0.000 0.781 434 E HN 0.234 nan 8.360 nan 0.000 0.466 435 K N 2.281 122.491 120.400 -0.316 0.000 2.142 435 K HA 0.115 4.434 4.320 -0.001 0.000 0.250 435 K C -0.510 175.849 176.600 -0.402 0.000 1.148 435 K CA -0.120 55.870 56.287 -0.496 0.000 1.040 435 K CB 0.012 32.105 32.500 -0.679 0.000 1.569 435 K HN -0.118 nan 8.250 nan 0.000 0.361 436 R N 2.457 122.735 120.500 -0.370 0.000 2.347 436 R HA 0.068 4.408 4.340 -0.001 0.000 0.304 436 R C -0.113 175.951 176.300 -0.393 0.000 1.072 436 R CA -0.004 55.929 56.100 -0.279 0.000 0.980 436 R CB 0.458 30.605 30.300 -0.254 0.000 0.986 436 R HN 0.568 nan 8.270 nan 0.000 0.448 437 Y N 0.415 120.555 120.300 -0.266 0.000 2.430 437 Y HA 0.206 4.756 4.550 -0.001 0.000 0.254 437 Y C 1.553 177.315 175.900 -0.230 0.000 1.088 437 Y CA -0.058 57.905 58.100 -0.229 0.000 1.267 437 Y CB 0.869 39.215 38.460 -0.189 0.000 1.204 437 Y HN 0.768 nan 8.280 nan 0.000 0.515 438 G N 0.064 108.811 108.800 -0.088 0.000 2.606 438 G HA2 0.227 4.187 3.960 -0.001 0.000 0.252 438 G HA3 0.227 4.187 3.960 -0.001 0.000 0.252 438 G C 0.723 175.563 174.900 -0.101 0.000 1.206 438 G CA -0.374 44.664 45.100 -0.103 0.000 0.861 438 G HN 0.258 nan 8.290 nan 0.000 0.561 439 L N -0.639 120.514 121.223 -0.118 0.000 2.313 439 L HA 0.181 4.521 4.340 -0.001 0.000 0.214 439 L C -0.019 176.495 176.870 -0.592 0.000 1.119 439 L CA 0.535 55.172 54.840 -0.339 0.000 0.809 439 L CB -0.188 41.612 42.059 -0.431 0.000 0.933 439 L HN 0.259 nan 8.230 nan 0.000 0.449 440 F N -1.934 117.965 119.950 -0.085 0.000 2.493 440 F HA 0.278 4.805 4.527 -0.001 0.000 0.329 440 F C -0.106 175.707 175.800 0.021 0.000 1.126 440 F CA -1.233 56.747 58.000 -0.033 0.000 0.937 440 F CB 0.768 39.742 39.000 -0.042 0.000 1.146 440 F HN -0.230 nan 8.300 nan 0.000 0.442 441 Y N 3.616 123.968 120.300 0.087 0.000 2.359 441 Y HA 0.545 5.095 4.550 -0.001 0.000 0.334 441 Y C -0.809 175.092 175.900 0.002 0.000 1.058 441 Y CA -0.821 57.283 58.100 0.008 0.000 1.244 441 Y CB 0.765 39.265 38.460 0.068 0.000 1.187 441 Y HN 0.341 nan 8.280 nan 0.000 0.510 442 V N 7.019 126.647 119.914 -0.477 0.000 2.347 442 V HA 0.097 4.217 4.120 -0.001 0.000 0.280 442 V C -0.272 175.247 176.094 -0.958 0.000 1.021 442 V CA -0.974 61.026 62.300 -0.499 0.000 0.847 442 V CB 1.146 32.654 31.823 -0.525 0.000 0.990 442 V HN 0.709 nan 8.190 nan 0.000 0.444 443 D N 4.398 124.624 120.400 -0.291 0.000 2.398 443 D HA 0.088 4.728 4.640 -0.001 0.000 0.250 443 D C 0.851 176.994 176.300 -0.262 0.000 1.287 443 D CA -0.091 53.756 54.000 -0.255 0.000 0.992 443 D CB 0.368 41.212 40.800 0.074 0.000 1.071 443 D HN 0.403 nan 8.370 nan 0.000 0.514 444 F N 1.361 121.226 119.950 -0.141 0.000 2.449 444 F HA -0.120 4.407 4.527 -0.001 0.000 0.299 444 F C 2.141 177.884 175.800 -0.096 0.000 1.092 444 F CA 0.520 58.461 58.000 -0.099 0.000 1.446 444 F CB -0.172 38.730 39.000 -0.164 0.000 1.084 444 F HN 0.324 nan 8.300 nan 0.000 0.567 445 D N -0.829 119.603 120.400 0.054 0.000 2.305 445 D HA -0.045 4.595 4.640 -0.001 0.000 0.206 445 D C 2.072 178.391 176.300 0.032 0.000 0.974 445 D CA 1.546 55.561 54.000 0.024 0.000 0.871 445 D CB 0.102 40.900 40.800 -0.004 0.000 0.947 445 D HN 0.314 nan 8.370 nan 0.000 0.516 446 T N -3.304 111.272 114.554 0.037 0.000 3.058 446 T HA 0.059 4.409 4.350 -0.001 0.000 0.278 446 T C 0.370 175.100 174.700 0.050 0.000 0.974 446 T CA -0.231 61.896 62.100 0.045 0.000 0.893 446 T CB 0.377 69.280 68.868 0.057 0.000 1.138 446 T HN -0.191 nan 8.240 nan 0.000 0.529 447 Q N 0.961 120.796 119.800 0.058 0.000 2.461 447 Q HA -0.140 4.200 4.340 -0.001 0.000 0.273 447 Q C -0.331 175.690 176.000 0.035 0.000 1.163 447 Q CA 0.908 56.750 55.803 0.064 0.000 0.929 447 Q CB -1.556 27.236 28.738 0.091 0.000 1.334 447 Q HN 0.703 nan 8.270 nan 0.000 0.499 448 E N 0.213 120.441 120.200 0.046 0.000 2.319 448 E HA 0.440 4.789 4.350 -0.001 0.000 0.268 448 E C -0.111 176.510 176.600 0.035 0.000 1.050 448 E CA -0.593 55.813 56.400 0.011 0.000 0.878 448 E CB 0.810 30.549 29.700 0.065 0.000 1.066 448 E HN 0.025 nan 8.360 nan 0.000 0.406 449 R N 1.380 121.816 120.500 -0.106 0.000 2.437 449 R HA 0.358 4.697 4.340 -0.001 0.000 0.310 449 R C -1.301 174.957 176.300 -0.069 0.000 0.955 449 R CA -0.521 55.602 56.100 0.039 0.000 0.851 449 R CB 0.741 31.048 30.300 0.012 0.000 1.161 449 R HN 0.342 nan 8.270 nan 0.000 0.446 450 Y N 3.405 123.863 120.300 0.264 0.000 2.338 450 Y HA 0.391 4.941 4.550 -0.000 0.000 0.333 450 Y C -2.050 173.969 175.900 0.197 0.000 0.968 450 Y CA -2.884 55.353 58.100 0.230 0.000 1.123 450 Y CB 1.859 40.466 38.460 0.245 0.000 1.165 450 Y HN 0.470 nan 8.280 nan 0.000 0.452 451 P HA 0.126 nan 4.420 nan 0.000 0.276 451 P C -0.655 176.578 177.300 -0.111 0.000 1.243 451 P CA -0.292 62.736 63.100 -0.120 0.000 0.768 451 P CB 1.370 32.839 31.700 -0.385 0.000 0.856 452 K N 2.137 122.399 120.400 -0.230 0.000 2.118 452 K HA 0.111 4.431 4.320 -0.001 0.000 0.240 452 K C 1.558 178.108 176.600 -0.084 0.000 1.035 452 K CA -0.581 55.611 56.287 -0.159 0.000 0.899 452 K CB 0.572 32.985 32.500 -0.145 0.000 1.085 452 K HN 0.328 nan 8.250 nan 0.000 0.498 453 K N 0.854 121.211 120.400 -0.071 0.000 2.209 453 K HA -0.150 4.169 4.320 -0.001 0.000 0.204 453 K C 1.771 178.455 176.600 0.139 0.000 1.048 453 K CA 1.803 58.124 56.287 0.057 0.000 0.940 453 K CB -0.012 32.508 32.500 0.033 0.000 0.729 453 K HN 0.620 nan 8.250 nan 0.000 0.451 454 S N 0.059 115.791 115.700 0.053 0.000 2.423 454 S HA -0.074 4.396 4.470 -0.001 0.000 0.231 454 S C 2.070 176.758 174.600 0.147 0.000 1.014 454 S CA 0.718 59.003 58.200 0.140 0.000 0.965 454 S CB -0.180 63.045 63.200 0.041 0.000 0.785 454 S HN 0.386 nan 8.310 nan 0.000 0.495 455 A N 2.537 125.261 122.820 -0.161 0.000 1.832 455 A HA -0.074 4.246 4.320 -0.001 0.000 0.214 455 A C 1.953 179.461 177.584 -0.126 0.000 1.200 455 A CA 1.680 53.451 52.037 -0.443 0.000 0.610 455 A CB -1.429 16.789 19.000 -1.304 0.000 0.842 455 A HN 0.631 nan 8.150 nan 0.000 0.444 456 H N -2.547 116.523 119.070 -0.000 0.000 2.426 456 H HA -0.201 4.355 4.556 -0.001 0.000 0.298 456 H C 1.627 177.082 175.328 0.212 0.000 1.107 456 H CA 1.938 58.107 56.048 0.202 0.000 1.298 456 H CB -0.255 29.613 29.762 0.176 0.000 1.377 456 H HN 0.802 nan 8.280 nan 0.000 0.519 457 W N 0.538 121.947 121.300 0.182 0.000 2.380 457 W HA -0.244 4.416 4.660 -0.000 0.000 0.317 457 W C 1.981 178.600 176.519 0.166 0.000 1.196 457 W CA 1.188 58.624 57.345 0.151 0.000 1.307 457 W CB -1.088 28.456 29.460 0.138 0.000 1.157 457 W HN 0.105 nan 8.180 nan 0.000 0.483 458 Y N 1.907 122.175 120.300 -0.054 0.000 2.139 458 Y HA -0.359 4.191 4.550 -0.000 0.000 0.282 458 Y C 2.750 178.470 175.900 -0.300 0.000 1.179 458 Y CA 2.819 60.746 58.100 -0.287 0.000 1.161 458 Y CB -0.999 37.463 38.460 0.004 0.000 0.970 458 Y HN 0.073 nan 8.280 nan 0.000 0.511 459 K N 0.295 120.673 120.400 -0.037 0.000 1.987 459 K HA -0.302 4.017 4.320 -0.001 0.000 0.216 459 K C 2.290 178.735 176.600 -0.260 0.000 1.051 459 K CA 2.266 58.499 56.287 -0.090 0.000 0.942 459 K CB -0.387 32.169 32.500 0.094 0.000 0.722 459 K HN 0.221 nan 8.250 nan 0.000 0.444 460 K N 0.591 120.865 120.400 -0.211 0.000 2.360 460 K HA -0.156 4.163 4.320 -0.001 0.000 0.201 460 K C 2.093 178.458 176.600 -0.392 0.000 1.046 460 K CA 0.875 57.020 56.287 -0.237 0.000 0.940 460 K CB -0.018 32.403 32.500 -0.131 0.000 0.748 460 K HN 0.176 nan 8.250 nan 0.000 0.465 461 L N 0.028 120.887 121.223 -0.607 0.000 2.084 461 L HA 0.055 4.395 4.340 -0.001 0.000 0.202 461 L C 2.164 178.484 176.870 -0.917 0.000 1.074 461 L CA 1.684 56.084 54.840 -0.733 0.000 0.757 461 L CB -0.500 40.961 42.059 -0.997 0.000 0.918 461 L HN 0.088 nan 8.230 nan 0.000 0.444 462 A N 0.162 122.306 122.820 -1.127 0.000 1.940 462 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 462 A C 1.997 179.025 177.584 -0.926 0.000 1.176 462 A CA 1.819 52.931 52.037 -1.542 0.000 0.631 462 A CB -0.805 17.627 19.000 -0.946 0.000 0.814 462 A HN 0.747 nan 8.150 nan 0.000 0.446 463 E N -1.283 118.596 120.200 -0.536 0.000 2.444 463 E HA 0.112 4.462 4.350 -0.001 0.000 0.191 463 E C 0.205 176.659 176.600 -0.243 0.000 1.041 463 E CA 0.792 57.002 56.400 -0.316 0.000 0.883 463 E CB -0.021 29.552 29.700 -0.212 0.000 1.024 463 E HN 0.387 nan 8.360 nan 0.000 0.470 464 T N -0.002 114.377 114.554 -0.291 0.000 3.191 464 T HA -0.062 4.288 4.350 -0.001 0.000 0.285 464 T C -0.014 174.587 174.700 -0.165 0.000 0.887 464 T CA -0.195 61.794 62.100 -0.186 0.000 0.881 464 T CB 0.540 69.311 68.868 -0.161 0.000 1.217 464 T HN 0.155 nan 8.240 nan 0.000 0.591 465 Q N 0.876 120.535 119.800 -0.234 0.000 2.378 465 Q HA -0.163 4.177 4.340 -0.001 0.000 0.296 465 Q C -0.383 175.564 176.000 -0.087 0.000 1.209 465 Q CA 0.446 56.188 55.803 -0.102 0.000 0.910 465 Q CB -2.848 25.913 28.738 0.037 0.000 1.240 465 Q HN 0.489 nan 8.270 nan 0.000 0.499 466 V N 1.742 121.582 119.914 -0.123 0.000 2.378 466 V HA 0.425 4.544 4.120 -0.001 0.000 0.288 466 V C 0.601 176.654 176.094 -0.068 0.000 1.016 466 V CA -0.736 61.519 62.300 -0.074 0.000 0.840 466 V CB 1.650 33.437 31.823 -0.059 0.000 0.994 466 V HN 0.329 nan 8.190 nan 0.000 0.431 467 I N 6.247 126.807 120.570 -0.016 0.000 2.322 467 I HA 0.537 4.706 4.170 -0.001 0.000 0.292 467 I C 0.362 176.552 176.117 0.122 0.000 1.060 467 I CA 0.245 61.581 61.300 0.059 0.000 1.309 467 I CB 0.113 38.164 38.000 0.084 0.000 1.415 467 I HN 0.886 nan 8.210 nan 0.000 0.492 468 E N 0.000 120.328 120.200 0.213 0.000 2.725 468 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 468 E CA 0.000 56.537 56.400 0.228 0.000 0.976 468 E CB 0.000 29.771 29.700 0.119 0.000 0.812 468 E HN 0.000 nan 8.360 nan 0.000 0.440