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 1yfm_1_A DATA FIRST_RESID 27 DATA SEQUENCE SFRTETDAFG EIHVPADKYW GAQTQRSFQN FKIGGARERM PLPLVHAFGV DATA SEQUENCE LKKSAAIVNE SLGGLDPKIS KAIQQAADEV ASGKLDDHFP LVVFQTGSGT DATA SEQUENCE QSNMNANEVI SNRAIEIXXX XXXXXXVHPN NHCNQSQSSN DTFPTVMHIA DATA SEQUENCE ASLQIQNELI PELTNLKNAL EAKSKEFDHI VKIGRTHLQD ATPLTLGQEF DATA SEQUENCE SGYVQQVENG IQRVAHSLKT LSFLAQGGTA VGTGLNTKPG FDVKIAEQIS DATA SEQUENCE KETGLKFQTA PNRFEALAAH DAIVECSGAL NTLACSLFKI AQDIRYLGSG DATA SEQUENCE PRCGYHELML PENEPGSSIM PGKVNPTQNE ALTQVCVQVM GNNAAITFAG DATA SEQUENCE SQGQFELNVF KPVMIANLLN SIRLITDAAY SFRVHCVEGI KANEPRIHEL DATA SEQUENCE LTKSLMLVTA LNPKIGYDAA SKVAKNAHKK GITLKESALE LGVLTEKEFD DATA SEQUENCE EWVVPEHML 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.109 174.600 -0.818 0.000 1.055 27 S CA 0.000 57.892 58.200 -0.514 0.000 1.107 27 S CB 0.000 63.029 63.200 -0.286 0.000 0.593 28 F N 0.830 120.671 119.950 -0.181 0.000 2.900 28 F HA 0.832 5.359 4.527 -0.000 0.000 0.375 28 F C 0.376 176.099 175.800 -0.128 0.000 1.258 28 F CA -1.026 56.862 58.000 -0.185 0.000 1.094 28 F CB 1.286 40.088 39.000 -0.330 0.000 1.505 28 F HN 0.838 nan 8.300 nan 0.000 0.510 29 R N 0.490 121.119 120.500 0.215 0.000 2.745 29 R HA 0.290 4.630 4.340 -0.000 0.000 0.290 29 R C -1.872 174.565 176.300 0.227 0.000 1.260 29 R CA -0.308 55.879 56.100 0.144 0.000 1.045 29 R CB 1.072 31.398 30.300 0.044 0.000 1.257 29 R HN 0.740 nan 8.270 nan 0.000 0.400 30 T N 2.406 117.124 114.554 0.273 0.000 2.940 30 T HA 0.124 4.474 4.350 -0.000 0.000 0.309 30 T C 0.030 174.791 174.700 0.101 0.000 1.056 30 T CA 0.008 62.227 62.100 0.199 0.000 1.137 30 T CB 1.181 70.126 68.868 0.129 0.000 0.976 30 T HN 0.607 nan 8.240 nan 0.000 0.547 31 E N 0.136 120.376 120.200 0.068 0.000 2.458 31 E HA 0.553 4.903 4.350 -0.000 0.000 0.278 31 E C -1.164 175.461 176.600 0.042 0.000 1.004 31 E CA -0.789 55.645 56.400 0.057 0.000 0.823 31 E CB 1.969 31.713 29.700 0.072 0.000 1.396 31 E HN 0.618 nan 8.360 nan 0.000 0.463 32 T N 0.405 114.987 114.554 0.045 0.000 2.916 32 T HA 0.337 4.687 4.350 -0.000 0.000 0.292 32 T C -0.717 174.014 174.700 0.051 0.000 1.055 32 T CA -0.498 61.628 62.100 0.044 0.000 1.009 32 T CB 1.652 70.543 68.868 0.038 0.000 1.118 32 T HN 0.622 nan 8.240 nan 0.000 0.497 33 D N -0.466 119.967 120.400 0.056 0.000 2.846 33 D HA 0.538 5.178 4.640 -0.000 0.000 0.200 33 D C 1.074 177.407 176.300 0.055 0.000 1.421 33 D CA 0.567 54.595 54.000 0.046 0.000 1.400 33 D CB 0.390 41.211 40.800 0.034 0.000 1.461 33 D HN 0.578 nan 8.370 nan 0.000 0.352 34 A N -0.967 121.910 122.820 0.095 0.000 1.595 34 A HA 0.111 4.431 4.320 -0.000 0.000 0.199 34 A C 0.329 178.077 177.584 0.273 0.000 1.987 34 A CA -0.214 51.904 52.037 0.136 0.000 1.632 34 A CB -0.642 18.412 19.000 0.091 0.000 1.535 34 A HN 0.157 nan 8.150 nan 0.000 0.299 35 F N 2.068 122.019 119.950 0.000 0.000 2.795 35 F HA 0.422 4.949 4.527 -0.000 0.000 0.303 35 F C 1.672 177.466 175.800 -0.011 0.000 1.186 35 F CA 0.997 58.995 58.000 -0.004 0.000 1.415 35 F CB -0.394 38.605 39.000 -0.002 0.000 1.106 35 F HN 0.809 nan 8.300 nan 0.000 0.558 36 G N 0.229 109.115 108.800 0.144 0.000 2.482 36 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.214 36 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.214 36 G C -0.700 174.221 174.900 0.035 0.000 1.271 36 G CA -0.780 44.353 45.100 0.055 0.000 0.944 36 G HN 0.178 nan 8.290 nan 0.000 0.568 37 E N -0.098 120.096 120.200 -0.010 0.000 2.383 37 E HA 0.725 5.075 4.350 -0.000 0.000 0.264 37 E C 0.445 177.002 176.600 -0.073 0.000 1.050 37 E CA -0.096 56.273 56.400 -0.050 0.000 0.896 37 E CB 1.535 31.179 29.700 -0.093 0.000 0.982 37 E HN 1.036 nan 8.360 nan 0.000 0.424 38 I N 0.911 121.423 120.570 -0.095 0.000 2.753 38 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 38 I C -1.545 174.529 176.117 -0.072 0.000 1.425 38 I CA -0.900 60.348 61.300 -0.087 0.000 1.039 38 I CB 1.596 39.609 38.000 0.022 0.000 1.349 38 I HN 0.492 nan 8.210 nan 0.000 0.430 39 H N 6.400 125.424 119.070 -0.076 0.000 2.934 39 H HA 0.344 4.900 4.556 -0.000 0.000 0.273 39 H C -0.700 174.608 175.328 -0.033 0.000 1.121 39 H CA -0.011 55.954 56.048 -0.139 0.000 1.451 39 H CB 1.032 30.508 29.762 -0.476 0.000 1.469 39 H HN 0.186 nan 8.280 nan 0.000 0.476 40 V N 7.700 127.765 119.914 0.252 0.000 2.439 40 V HA 0.191 4.311 4.120 -0.000 0.000 0.282 40 V C -1.922 174.313 176.094 0.235 0.000 1.039 40 V CA -2.009 60.421 62.300 0.217 0.000 0.913 40 V CB 1.512 33.398 31.823 0.104 0.000 0.983 40 V HN 0.598 nan 8.190 nan 0.000 0.460 41 P HA -0.034 nan 4.420 nan 0.000 0.264 41 P C 0.589 177.776 177.300 -0.188 0.000 1.179 41 P CA 0.539 63.640 63.100 0.002 0.000 0.763 41 P CB 0.649 32.240 31.700 -0.180 0.000 0.806 42 A N 3.969 126.651 122.820 -0.230 0.000 1.877 42 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 42 A C 1.595 179.019 177.584 -0.268 0.000 1.186 42 A CA 2.027 53.936 52.037 -0.213 0.000 0.620 42 A CB -1.079 17.796 19.000 -0.209 0.000 0.822 42 A HN 0.645 nan 8.150 nan 0.000 0.443 43 D N -0.661 119.557 120.400 -0.304 0.000 2.355 43 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 43 D C 0.146 176.181 176.300 -0.442 0.000 1.004 43 D CA 0.366 54.167 54.000 -0.331 0.000 0.880 43 D CB -0.081 40.568 40.800 -0.251 0.000 0.911 43 D HN 0.086 nan 8.370 nan 0.000 0.528 44 K N 0.342 120.417 120.400 -0.542 0.000 2.118 44 K HA 0.137 4.457 4.320 -0.000 0.000 0.267 44 K C 0.170 176.403 176.600 -0.613 0.000 0.991 44 K CA -0.728 55.172 56.287 -0.645 0.000 0.916 44 K CB 0.793 32.446 32.500 -1.411 0.000 1.041 44 K HN -0.012 nan 8.250 nan 0.000 0.455 45 Y N -0.288 119.834 120.300 -0.297 0.000 2.490 45 Y HA -0.012 4.538 4.550 -0.000 0.000 0.281 45 Y C 0.687 176.498 175.900 -0.148 0.000 1.174 45 Y CA -0.430 57.491 58.100 -0.298 0.000 1.295 45 Y CB -0.347 37.839 38.460 -0.456 0.000 1.062 45 Y HN 0.609 nan 8.280 nan 0.000 0.522 46 W N 0.177 121.475 121.300 -0.003 0.000 2.089 46 W HA 0.678 5.338 4.660 -0.000 0.000 0.362 46 W C 0.464 176.961 176.519 -0.038 0.000 1.362 46 W CA -1.147 56.155 57.345 -0.071 0.000 1.460 46 W CB -0.060 29.318 29.460 -0.136 0.000 1.204 46 W HN -0.057 nan 8.180 nan 0.000 0.657 47 G N -0.634 108.372 108.800 0.344 0.000 2.828 47 G HA2 0.467 4.427 3.960 -0.000 0.000 0.244 47 G HA3 0.467 4.427 3.960 -0.000 0.000 0.244 47 G C 0.582 175.640 174.900 0.262 0.000 1.365 47 G CA -0.524 44.708 45.100 0.221 0.000 1.041 47 G HN 0.943 nan 8.290 nan 0.000 0.560 48 A N -0.860 122.049 122.820 0.148 0.000 1.841 48 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 48 A C 2.265 179.901 177.584 0.086 0.000 1.199 48 A CA 2.349 54.460 52.037 0.123 0.000 0.621 48 A CB -1.052 17.996 19.000 0.081 0.000 0.835 48 A HN 0.658 nan 8.150 nan 0.000 0.445 49 Q N -1.145 118.675 119.800 0.033 0.000 2.133 49 Q HA -0.193 4.147 4.340 -0.000 0.000 0.208 49 Q C 2.226 178.206 176.000 -0.033 0.000 0.991 49 Q CA 2.319 58.114 55.803 -0.014 0.000 0.867 49 Q CB -0.463 28.245 28.738 -0.051 0.000 0.911 49 Q HN 0.727 nan 8.270 nan 0.000 0.417 50 T N -0.010 114.503 114.554 -0.068 0.000 2.777 50 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 50 T C 1.690 176.246 174.700 -0.240 0.000 1.040 50 T CA 1.360 63.322 62.100 -0.230 0.000 1.141 50 T CB -0.164 68.451 68.868 -0.420 0.000 0.868 50 T HN 0.189 nan 8.240 nan 0.000 0.444 51 Q N 1.215 120.971 119.800 -0.074 0.000 2.084 51 Q HA 0.008 4.348 4.340 -0.000 0.000 0.202 51 Q C 2.319 178.415 176.000 0.160 0.000 0.978 51 Q CA 1.517 57.388 55.803 0.114 0.000 0.844 51 Q CB -0.129 28.814 28.738 0.343 0.000 0.898 51 Q HN 0.383 nan 8.270 nan 0.000 0.426 52 R N -0.448 120.119 120.500 0.111 0.000 2.092 52 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 52 R C 2.465 178.835 176.300 0.116 0.000 1.119 52 R CA 1.435 57.598 56.100 0.105 0.000 0.970 52 R CB -0.324 30.025 30.300 0.083 0.000 0.864 52 R HN 0.439 nan 8.270 nan 0.000 0.440 53 S N 0.400 116.173 115.700 0.122 0.000 2.406 53 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 53 S C 1.800 176.552 174.600 0.253 0.000 1.020 53 S CA 0.542 58.873 58.200 0.219 0.000 0.965 53 S CB -0.453 62.813 63.200 0.110 0.000 0.798 53 S HN 0.337 nan 8.310 nan 0.000 0.488 54 F N 2.586 122.528 119.950 -0.013 0.000 2.269 54 F HA 0.067 4.594 4.527 -0.000 0.000 0.301 54 F C 2.174 177.981 175.800 0.012 0.000 1.082 54 F CA 1.325 59.296 58.000 -0.047 0.000 1.360 54 F CB -0.351 38.539 39.000 -0.183 0.000 1.041 54 F HN 0.241 nan 8.300 nan 0.000 0.512 55 Q N -0.736 119.052 119.800 -0.019 0.000 2.280 55 Q HA 0.112 4.452 4.340 -0.000 0.000 0.201 55 Q C 0.971 176.887 176.000 -0.139 0.000 0.890 55 Q CA 0.266 55.995 55.803 -0.122 0.000 0.947 55 Q CB -0.013 28.734 28.738 0.015 0.000 1.081 55 Q HN 0.584 nan 8.270 nan 0.000 0.502 56 N N -0.636 117.983 118.700 -0.135 0.000 2.397 56 N HA 0.119 4.859 4.740 -0.000 0.000 0.190 56 N C -0.660 174.447 175.510 -0.672 0.000 1.099 56 N CA 0.105 52.923 53.050 -0.388 0.000 0.876 56 N CB 0.739 38.966 38.487 -0.433 0.000 1.143 56 N HN 0.014 nan 8.380 nan 0.000 0.468 57 F N 1.148 121.045 119.950 -0.087 0.000 2.660 57 F HA 0.388 4.915 4.527 -0.000 0.000 0.352 57 F C 0.172 175.914 175.800 -0.095 0.000 1.257 57 F CA -0.699 57.264 58.000 -0.061 0.000 1.200 57 F CB 0.994 39.980 39.000 -0.023 0.000 1.473 57 F HN -0.296 nan 8.300 nan 0.000 0.561 58 K N 1.702 122.078 120.400 -0.040 0.000 2.577 58 K HA 0.266 4.586 4.320 -0.000 0.000 0.210 58 K C 0.143 176.738 176.600 -0.008 0.000 1.048 58 K CA -0.227 56.001 56.287 -0.099 0.000 1.188 58 K CB 0.479 32.855 32.500 -0.208 0.000 0.910 58 K HN 0.320 nan 8.250 nan 0.000 0.483 59 I N 1.539 122.152 120.570 0.072 0.000 2.742 59 I HA -0.062 4.108 4.170 -0.000 0.000 0.287 59 I C 1.514 177.700 176.117 0.115 0.000 1.186 59 I CA 1.069 62.412 61.300 0.072 0.000 1.417 59 I CB -1.008 37.061 38.000 0.116 0.000 1.377 59 I HN 0.628 nan 8.210 nan 0.000 0.556 60 G N 4.235 113.061 108.800 0.043 0.000 2.245 60 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.264 60 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.264 60 G C 0.795 175.740 174.900 0.076 0.000 0.985 60 G CA 0.439 45.584 45.100 0.075 0.000 0.625 60 G HN 1.747 nan 8.290 nan 0.000 0.536 61 G N -0.830 108.007 108.800 0.060 0.000 2.796 61 G HA2 0.258 4.218 3.960 -0.000 0.000 0.226 61 G HA3 0.258 4.218 3.960 -0.000 0.000 0.226 61 G C 1.259 176.210 174.900 0.084 0.000 1.381 61 G CA 1.504 46.637 45.100 0.055 0.000 0.867 61 G HN 1.915 nan 8.290 nan 0.000 0.552 62 A N -0.446 122.426 122.820 0.087 0.000 2.084 62 A HA -0.105 4.215 4.320 -0.000 0.000 0.221 62 A C 2.383 180.019 177.584 0.087 0.000 1.161 62 A CA 2.560 54.656 52.037 0.098 0.000 0.653 62 A CB -0.399 18.658 19.000 0.096 0.000 0.802 62 A HN 1.080 nan 8.150 nan 0.000 0.457 63 R N -0.244 120.305 120.500 0.081 0.000 2.115 63 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 63 R C 0.686 177.038 176.300 0.086 0.000 1.111 63 R CA 1.473 57.619 56.100 0.076 0.000 0.976 63 R CB -0.052 30.291 30.300 0.072 0.000 0.870 63 R HN 0.419 nan 8.270 nan 0.000 0.445 64 E N 0.722 120.989 120.200 0.111 0.000 2.465 64 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 64 E C -0.080 176.566 176.600 0.075 0.000 1.053 64 E CA -0.096 56.377 56.400 0.120 0.000 0.869 64 E CB -0.131 29.712 29.700 0.238 0.000 0.977 64 E HN 0.218 nan 8.360 nan 0.000 0.483 65 R N 1.542 122.091 120.500 0.081 0.000 2.486 65 R HA -0.055 4.285 4.340 -0.000 0.000 0.303 65 R C 0.322 176.652 176.300 0.049 0.000 0.958 65 R CA -0.236 55.911 56.100 0.079 0.000 1.077 65 R CB 0.114 30.470 30.300 0.093 0.000 0.921 65 R HN -0.118 nan 8.270 nan 0.000 0.406 66 M N 7.551 127.179 119.600 0.046 0.000 2.330 66 M HA -0.071 4.409 4.480 -0.000 0.000 0.436 66 M C -2.071 174.236 176.300 0.012 0.000 1.536 66 M CA -0.919 54.403 55.300 0.036 0.000 0.842 66 M CB 0.046 32.696 32.600 0.083 0.000 2.060 66 M HN 0.448 nan 8.290 nan 0.000 0.511 67 P HA -0.103 nan 4.420 nan 0.000 0.255 67 P C 0.800 178.039 177.300 -0.102 0.000 1.161 67 P CA 0.298 63.371 63.100 -0.046 0.000 0.768 67 P CB 0.204 31.875 31.700 -0.049 0.000 0.746 68 L N 6.920 128.060 121.223 -0.138 0.000 1.997 68 L HA -0.181 4.159 4.340 -0.000 0.000 0.216 68 L C -0.358 176.205 176.870 -0.512 0.000 1.074 68 L CA 2.153 56.806 54.840 -0.311 0.000 0.763 68 L CB -2.079 39.837 42.059 -0.239 0.000 0.890 68 L HN 0.447 nan 8.230 nan 0.000 0.434 69 P HA -0.190 nan 4.420 nan 0.000 0.226 69 P C 1.628 178.827 177.300 -0.168 0.000 1.146 69 P CA 1.235 64.242 63.100 -0.154 0.000 0.773 69 P CB 0.082 31.760 31.700 -0.037 0.000 0.772 70 L N -0.828 120.278 121.223 -0.195 0.000 2.202 70 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 70 L C 2.482 179.284 176.870 -0.113 0.000 1.083 70 L CA 1.109 55.844 54.840 -0.174 0.000 0.790 70 L CB -0.891 41.105 42.059 -0.105 0.000 0.942 70 L HN -0.258 nan 8.230 nan 0.000 0.452 71 V N -0.438 119.360 119.914 -0.194 0.000 2.295 71 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 71 V C 2.323 178.300 176.094 -0.196 0.000 1.049 71 V CA 2.231 64.343 62.300 -0.313 0.000 1.024 71 V CB -0.860 30.538 31.823 -0.709 0.000 0.648 71 V HN 0.583 nan 8.190 nan 0.000 0.447 72 H N -0.047 118.945 119.070 -0.131 0.000 2.387 72 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 72 H C 2.288 177.579 175.328 -0.062 0.000 1.090 72 H CA 1.087 57.084 56.048 -0.085 0.000 1.332 72 H CB -0.132 29.589 29.762 -0.068 0.000 1.386 72 H HN 0.475 nan 8.280 nan 0.000 0.516 73 A N 0.793 123.616 122.820 0.005 0.000 1.969 73 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 73 A C 1.803 179.325 177.584 -0.103 0.000 1.169 73 A CA 1.064 53.039 52.037 -0.103 0.000 0.635 73 A CB -0.719 18.142 19.000 -0.232 0.000 0.810 73 A HN 0.278 nan 8.150 nan 0.000 0.445 74 F N 0.530 120.444 119.950 -0.059 0.000 2.171 74 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 74 F C 2.559 178.363 175.800 0.007 0.000 1.090 74 F CA 1.045 59.036 58.000 -0.015 0.000 1.293 74 F CB -0.800 38.209 39.000 0.015 0.000 1.013 74 F HN 0.280 nan 8.300 nan 0.000 0.486 75 G N -0.294 108.619 108.800 0.187 0.000 2.433 75 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 75 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 75 G C 1.864 176.806 174.900 0.071 0.000 1.186 75 G CA 1.179 46.352 45.100 0.123 0.000 0.779 75 G HN 0.233 nan 8.290 nan 0.000 0.543 76 V N 0.930 120.863 119.914 0.032 0.000 2.324 76 V HA -0.181 3.939 4.120 -0.000 0.000 0.250 76 V C 2.706 178.787 176.094 -0.022 0.000 1.060 76 V CA 1.847 64.141 62.300 -0.011 0.000 1.042 76 V CB -0.537 31.258 31.823 -0.046 0.000 0.650 76 V HN 0.379 nan 8.190 nan 0.000 0.450 77 L N -0.124 121.087 121.223 -0.021 0.000 2.056 77 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 77 L C 2.351 179.254 176.870 0.055 0.000 1.078 77 L CA 1.935 56.765 54.840 -0.017 0.000 0.749 77 L CB -0.769 41.268 42.059 -0.037 0.000 0.901 77 L HN 0.099 nan 8.230 nan 0.000 0.433 78 K N 0.246 120.710 120.400 0.107 0.000 2.103 78 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 78 K C 2.114 178.761 176.600 0.077 0.000 1.052 78 K CA 1.420 57.776 56.287 0.115 0.000 0.945 78 K CB -0.354 32.230 32.500 0.140 0.000 0.722 78 K HN 0.438 nan 8.250 nan 0.000 0.443 79 K N 0.960 121.393 120.400 0.056 0.000 2.026 79 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 79 K C 2.102 178.718 176.600 0.026 0.000 1.048 79 K CA 1.590 57.898 56.287 0.035 0.000 0.929 79 K CB 0.046 32.560 32.500 0.022 0.000 0.713 79 K HN -0.083 nan 8.250 nan 0.000 0.439 80 S N 0.519 116.227 115.700 0.013 0.000 2.402 80 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 80 S C 1.967 176.583 174.600 0.025 0.000 1.021 80 S CA 1.009 59.206 58.200 -0.006 0.000 0.974 80 S CB -0.190 62.980 63.200 -0.050 0.000 0.800 80 S HN 0.524 nan 8.310 nan 0.000 0.484 81 A N 1.610 124.471 122.820 0.069 0.000 1.933 81 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 81 A C 2.305 179.968 177.584 0.130 0.000 1.175 81 A CA 1.647 53.773 52.037 0.149 0.000 0.628 81 A CB -0.992 18.105 19.000 0.162 0.000 0.814 81 A HN 0.504 nan 8.150 nan 0.000 0.444 82 A N 0.320 123.189 122.820 0.081 0.000 1.835 82 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 82 A C 2.101 179.715 177.584 0.050 0.000 1.199 82 A CA 1.518 53.589 52.037 0.057 0.000 0.615 82 A CB -0.771 18.251 19.000 0.036 0.000 0.838 82 A HN 0.471 nan 8.150 nan 0.000 0.444 83 I N -0.028 120.564 120.570 0.035 0.000 2.113 83 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 83 I C 2.294 178.433 176.117 0.037 0.000 1.064 83 I CA 1.731 63.046 61.300 0.024 0.000 1.320 83 I CB -0.472 37.532 38.000 0.007 0.000 1.028 83 I HN 0.181 nan 8.210 nan 0.000 0.406 84 V N 0.500 120.446 119.914 0.054 0.000 2.548 84 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 84 V C 1.795 177.982 176.094 0.155 0.000 1.055 84 V CA 1.995 64.343 62.300 0.081 0.000 1.065 84 V CB -0.965 30.875 31.823 0.028 0.000 0.681 84 V HN 0.460 nan 8.190 nan 0.000 0.462 85 N N -0.337 118.460 118.700 0.162 0.000 2.376 85 N HA -0.110 4.630 4.740 -0.000 0.000 0.177 85 N C 1.955 177.503 175.510 0.063 0.000 1.024 85 N CA 0.580 53.704 53.050 0.124 0.000 0.893 85 N CB 0.076 38.620 38.487 0.095 0.000 0.980 85 N HN 0.541 nan 8.380 nan 0.000 0.439 86 E N 0.582 120.810 120.200 0.047 0.000 2.152 86 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 86 E C 1.806 178.420 176.600 0.024 0.000 0.983 86 E CA 0.588 57.000 56.400 0.021 0.000 0.818 86 E CB 0.075 29.782 29.700 0.010 0.000 0.758 86 E HN 0.153 nan 8.360 nan 0.000 0.467 87 S N 0.482 116.204 115.700 0.036 0.000 2.356 87 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 87 S C 1.862 176.484 174.600 0.037 0.000 1.032 87 S CA 0.809 59.028 58.200 0.032 0.000 1.005 87 S CB -0.233 62.988 63.200 0.036 0.000 0.867 87 S HN 0.336 nan 8.310 nan 0.000 0.449 88 L N 1.311 122.566 121.223 0.055 0.000 2.675 88 L HA 0.200 4.540 4.340 -0.000 0.000 0.238 88 L C 1.766 178.654 176.870 0.031 0.000 1.155 88 L CA 0.383 55.254 54.840 0.051 0.000 0.881 88 L CB -0.962 41.143 42.059 0.076 0.000 1.008 88 L HN 0.604 nan 8.230 nan 0.000 0.443 89 G N 0.027 108.841 108.800 0.024 0.000 2.166 89 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 89 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 89 G C 0.947 175.852 174.900 0.008 0.000 0.986 89 G CA 0.329 45.437 45.100 0.012 0.000 0.683 89 G HN 0.522 nan 8.290 nan 0.000 0.527 90 G N -1.115 107.691 108.800 0.011 0.000 2.650 90 G HA2 0.373 4.333 3.960 -0.000 0.000 0.214 90 G HA3 0.373 4.333 3.960 -0.000 0.000 0.214 90 G C 0.428 175.328 174.900 0.000 0.000 1.136 90 G CA 1.191 46.295 45.100 0.007 0.000 0.789 90 G HN 0.965 nan 8.290 nan 0.000 0.536 91 L N -0.360 120.855 121.223 -0.013 0.000 2.409 91 L HA 0.486 4.826 4.340 -0.000 0.000 0.262 91 L C -1.304 175.529 176.870 -0.063 0.000 0.992 91 L CA -1.094 53.714 54.840 -0.053 0.000 0.817 91 L CB 2.445 44.465 42.059 -0.064 0.000 1.350 91 L HN 0.017 nan 8.230 nan 0.000 0.411 92 D N 4.553 124.894 120.400 -0.098 0.000 2.401 92 D HA 0.191 4.831 4.640 -0.000 0.000 0.254 92 D C -1.725 174.532 176.300 -0.071 0.000 1.192 92 D CA -0.941 53.014 54.000 -0.076 0.000 0.885 92 D CB 1.426 42.176 40.800 -0.083 0.000 1.147 92 D HN 0.376 nan 8.370 nan 0.000 0.478 93 P HA -0.242 nan 4.420 nan 0.000 0.218 93 P C 0.966 178.246 177.300 -0.034 0.000 1.152 93 P CA 1.369 64.450 63.100 -0.032 0.000 0.857 93 P CB 0.158 31.846 31.700 -0.020 0.000 0.787 94 K N -0.452 119.926 120.400 -0.036 0.000 2.002 94 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 94 K C 1.945 178.521 176.600 -0.039 0.000 1.048 94 K CA 1.487 57.755 56.287 -0.030 0.000 0.930 94 K CB -0.510 31.975 32.500 -0.025 0.000 0.714 94 K HN -0.074 nan 8.250 nan 0.000 0.438 95 I N 1.125 121.654 120.570 -0.070 0.000 2.208 95 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 95 I C 2.546 178.624 176.117 -0.065 0.000 1.097 95 I CA 1.345 62.589 61.300 -0.094 0.000 1.363 95 I CB -1.520 36.332 38.000 -0.246 0.000 1.051 95 I HN 0.312 nan 8.210 nan 0.000 0.413 96 S N 0.633 116.296 115.700 -0.062 0.000 2.343 96 S HA -0.211 4.259 4.470 -0.000 0.000 0.219 96 S C 2.127 176.717 174.600 -0.016 0.000 1.033 96 S CA 1.359 59.540 58.200 -0.032 0.000 1.014 96 S CB -0.100 63.085 63.200 -0.025 0.000 0.915 96 S HN 0.204 nan 8.310 nan 0.000 0.435 97 K N 1.202 121.591 120.400 -0.017 0.000 2.218 97 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 97 K C 2.094 178.687 176.600 -0.011 0.000 1.046 97 K CA 1.310 57.590 56.287 -0.012 0.000 0.933 97 K CB -0.916 31.576 32.500 -0.012 0.000 0.728 97 K HN 0.470 nan 8.250 nan 0.000 0.454 98 A N 0.752 123.564 122.820 -0.013 0.000 1.855 98 A HA -0.051 4.269 4.320 -0.000 0.000 0.213 98 A C 2.266 179.844 177.584 -0.010 0.000 1.195 98 A CA 1.014 53.044 52.037 -0.012 0.000 0.610 98 A CB -0.451 18.544 19.000 -0.008 0.000 0.837 98 A HN 0.230 nan 8.150 nan 0.000 0.444 99 I N -0.340 120.230 120.570 0.000 0.000 2.286 99 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 99 I C 2.795 178.918 176.117 0.011 0.000 1.115 99 I CA 1.436 62.743 61.300 0.012 0.000 1.392 99 I CB -0.533 37.485 38.000 0.030 0.000 1.065 99 I HN 0.449 nan 8.210 nan 0.000 0.418 100 Q N 0.325 120.129 119.800 0.007 0.000 2.030 100 Q HA -0.312 4.028 4.340 -0.000 0.000 0.204 100 Q C 2.302 178.304 176.000 0.003 0.000 0.986 100 Q CA 1.964 57.772 55.803 0.008 0.000 0.843 100 Q CB -0.212 28.528 28.738 0.003 0.000 0.904 100 Q HN 0.541 nan 8.270 nan 0.000 0.420 101 Q N -0.184 119.613 119.800 -0.005 0.000 2.050 101 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 101 Q C 2.005 177.996 176.000 -0.016 0.000 0.980 101 Q CA 1.397 57.194 55.803 -0.011 0.000 0.840 101 Q CB -0.134 28.594 28.738 -0.016 0.000 0.898 101 Q HN 0.387 nan 8.270 nan 0.000 0.424 102 A N 0.599 123.403 122.820 -0.027 0.000 1.902 102 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 102 A C 2.244 179.826 177.584 -0.003 0.000 1.181 102 A CA 1.706 53.715 52.037 -0.047 0.000 0.623 102 A CB -0.963 17.994 19.000 -0.072 0.000 0.818 102 A HN 0.549 nan 8.150 nan 0.000 0.443 103 A N -0.217 122.615 122.820 0.020 0.000 1.877 103 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 103 A C 1.849 179.462 177.584 0.048 0.000 1.186 103 A CA 2.094 54.163 52.037 0.053 0.000 0.620 103 A CB -0.707 18.325 19.000 0.054 0.000 0.822 103 A HN 0.487 nan 8.150 nan 0.000 0.443 104 D N -0.621 119.794 120.400 0.025 0.000 2.310 104 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 104 D C 1.752 178.060 176.300 0.013 0.000 0.965 104 D CA 0.973 54.981 54.000 0.014 0.000 0.879 104 D CB -0.101 40.700 40.800 0.003 0.000 0.921 104 D HN 0.625 nan 8.370 nan 0.000 0.510 105 E N -0.948 119.264 120.200 0.020 0.000 2.371 105 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 105 E C 1.819 178.461 176.600 0.069 0.000 1.012 105 E CA 0.004 56.420 56.400 0.028 0.000 0.860 105 E CB 0.598 30.305 29.700 0.011 0.000 0.811 105 E HN 0.177 nan 8.360 nan 0.000 0.502 106 V N 0.929 120.898 119.914 0.092 0.000 2.331 106 V HA -0.136 3.984 4.120 -0.000 0.000 0.242 106 V C 2.265 178.431 176.094 0.119 0.000 1.034 106 V CA 1.674 64.061 62.300 0.145 0.000 1.027 106 V CB -0.365 31.556 31.823 0.163 0.000 0.667 106 V HN 0.273 nan 8.190 nan 0.000 0.457 107 A N -0.437 122.421 122.820 0.064 0.000 1.986 107 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 107 A C 2.426 179.923 177.584 -0.145 0.000 1.171 107 A CA 2.389 54.425 52.037 -0.001 0.000 0.640 107 A CB -0.623 18.375 19.000 -0.002 0.000 0.811 107 A HN 0.521 nan 8.150 nan 0.000 0.451 108 S N -1.987 113.664 115.700 -0.081 0.000 2.387 108 S HA 0.259 4.729 4.470 -0.000 0.000 0.226 108 S C 1.559 176.072 174.600 -0.145 0.000 1.026 108 S CA 1.335 59.474 58.200 -0.101 0.000 0.972 108 S CB -0.158 63.024 63.200 -0.031 0.000 0.814 108 S HN 1.732 nan 8.310 nan 0.000 0.477 109 G N 0.598 109.366 108.800 -0.053 0.000 2.143 109 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.175 109 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.175 109 G C 0.647 175.623 174.900 0.127 0.000 1.004 109 G CA 0.274 45.406 45.100 0.055 0.000 0.671 109 G HN 0.410 nan 8.290 nan 0.000 0.512 110 K N -0.534 119.942 120.400 0.126 0.000 2.211 110 K HA 0.323 4.643 4.320 -0.000 0.000 0.201 110 K C 1.567 178.318 176.600 0.252 0.000 1.052 110 K CA 0.568 56.946 56.287 0.152 0.000 0.973 110 K CB 0.043 32.610 32.500 0.111 0.000 0.766 110 K HN 0.423 nan 8.250 nan 0.000 0.466 111 L N 1.357 122.771 121.223 0.318 0.000 2.984 111 L HA 0.100 4.440 4.340 -0.000 0.000 0.246 111 L C 0.210 177.484 176.870 0.674 0.000 1.268 111 L CA -0.239 54.931 54.840 0.551 0.000 1.054 111 L CB 0.139 42.445 42.059 0.412 0.000 1.393 111 L HN -0.005 nan 8.230 nan 0.000 0.532 112 D N 0.618 121.273 120.400 0.425 0.000 2.144 112 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 112 D C 1.236 177.748 176.300 0.354 0.000 0.984 112 D CA 1.234 55.447 54.000 0.355 0.000 0.834 112 D CB 0.192 41.116 40.800 0.207 0.000 0.955 112 D HN 0.278 nan 8.370 nan 0.000 0.465 113 D N -0.308 120.189 120.400 0.163 0.000 2.358 113 D HA -0.059 4.581 4.640 -0.000 0.000 0.241 113 D C 0.458 176.659 176.300 -0.164 0.000 1.094 113 D CA 0.457 54.431 54.000 -0.043 0.000 0.907 113 D CB -0.199 40.488 40.800 -0.188 0.000 0.893 113 D HN 0.466 nan 8.370 nan 0.000 0.528 114 H N -1.501 117.772 119.070 0.338 0.000 2.592 114 H HA 0.213 4.769 4.556 -0.000 0.000 0.279 114 H C -0.433 174.836 175.328 -0.098 0.000 1.089 114 H CA -0.155 56.056 56.048 0.271 0.000 1.150 114 H CB 0.158 30.016 29.762 0.161 0.000 1.575 114 H HN -0.059 nan 8.280 nan 0.000 0.547 115 F N 2.251 122.309 119.950 0.181 0.000 2.453 115 F HA 0.291 4.818 4.527 -0.000 0.000 0.358 115 F C -1.970 173.803 175.800 -0.044 0.000 1.129 115 F CA -2.394 55.621 58.000 0.025 0.000 1.200 115 F CB 1.688 40.715 39.000 0.044 0.000 1.431 115 F HN 0.030 nan 8.300 nan 0.000 0.503 116 P HA 0.085 nan 4.420 nan 0.000 0.262 116 P C -0.029 177.328 177.300 0.096 0.000 1.304 116 P CA 0.460 63.507 63.100 -0.088 0.000 0.859 116 P CB 0.533 31.898 31.700 -0.559 0.000 1.310 117 L N 1.060 122.308 121.223 0.041 0.000 2.397 117 L HA 0.216 4.556 4.340 -0.000 0.000 0.271 117 L C 1.273 178.192 176.870 0.082 0.000 1.148 117 L CA -0.816 54.071 54.840 0.078 0.000 0.825 117 L CB 1.046 43.100 42.059 -0.009 0.000 1.117 117 L HN -0.166 nan 8.230 nan 0.000 0.456 118 V N 1.550 121.511 119.914 0.077 0.000 3.295 118 V HA 0.252 4.372 4.120 -0.000 0.000 0.308 118 V C 1.075 177.150 176.094 -0.032 0.000 1.068 118 V CA -0.613 61.724 62.300 0.062 0.000 1.062 118 V CB 1.608 33.510 31.823 0.132 0.000 1.162 118 V HN 0.562 nan 8.190 nan 0.000 0.456 119 V N 0.025 119.860 119.914 -0.132 0.000 2.379 119 V HA -0.046 4.074 4.120 -0.000 0.000 0.245 119 V C 1.157 176.976 176.094 -0.459 0.000 1.044 119 V CA 1.450 63.528 62.300 -0.371 0.000 1.036 119 V CB -0.832 30.599 31.823 -0.652 0.000 0.664 119 V HN 0.749 nan 8.190 nan 0.000 0.453 120 F N 2.361 122.309 119.950 -0.003 0.000 2.619 120 F HA 0.385 4.912 4.527 -0.000 0.000 0.350 120 F C 0.786 176.549 175.800 -0.062 0.000 1.259 120 F CA -0.375 57.618 58.000 -0.011 0.000 1.204 120 F CB -0.657 38.369 39.000 0.042 0.000 1.556 120 F HN 0.336 nan 8.300 nan 0.000 0.650 121 Q N -0.929 118.761 119.800 -0.183 0.000 3.317 121 Q HA 0.516 4.856 4.340 -0.000 0.000 0.322 121 Q C -0.551 175.083 176.000 -0.611 0.000 0.945 121 Q CA -1.167 54.251 55.803 -0.643 0.000 0.793 121 Q CB 0.291 28.717 28.738 -0.519 0.000 2.225 121 Q HN 0.122 nan 8.270 nan 0.000 0.392 122 T N 0.921 115.079 114.554 -0.660 0.000 2.888 122 T HA 0.152 4.502 4.350 -0.000 0.000 0.301 122 T C 1.145 175.654 174.700 -0.319 0.000 1.001 122 T CA 0.327 62.180 62.100 -0.412 0.000 1.147 122 T CB 0.699 69.362 68.868 -0.341 0.000 0.931 122 T HN 0.715 nan 8.240 nan 0.000 0.541 123 G N 1.542 110.196 108.800 -0.243 0.000 2.586 123 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 123 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 123 G C 1.447 176.254 174.900 -0.155 0.000 1.128 123 G CA 0.635 45.608 45.100 -0.213 0.000 0.774 123 G HN 0.759 nan 8.290 nan 0.000 0.543 124 S N -1.509 114.075 115.700 -0.194 0.000 2.524 124 S HA 0.388 4.858 4.470 -0.000 0.000 0.215 124 S C 1.780 176.133 174.600 -0.412 0.000 0.986 124 S CA 0.898 59.007 58.200 -0.151 0.000 0.911 124 S CB 0.241 63.388 63.200 -0.089 0.000 0.805 124 S HN 1.370 nan 8.310 nan 0.000 0.501 125 G N 0.900 109.298 108.800 -0.671 0.000 2.148 125 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 125 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 125 G C 0.736 175.276 174.900 -0.601 0.000 0.981 125 G CA 0.606 44.984 45.100 -1.203 0.000 0.670 125 G HN 0.475 nan 8.290 nan 0.000 0.528 126 T N 0.779 115.121 114.554 -0.352 0.000 2.699 126 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 126 T C 2.469 177.052 174.700 -0.196 0.000 1.036 126 T CA 2.026 64.004 62.100 -0.204 0.000 1.147 126 T CB -0.212 68.557 68.868 -0.165 0.000 0.862 126 T HN 0.686 nan 8.240 nan 0.000 0.446 127 Q N 0.689 120.341 119.800 -0.246 0.000 2.124 127 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 127 Q C 2.603 178.489 176.000 -0.190 0.000 0.977 127 Q CA 1.336 57.010 55.803 -0.215 0.000 0.850 127 Q CB -0.355 28.227 28.738 -0.261 0.000 0.901 127 Q HN 0.420 nan 8.270 nan 0.000 0.429 128 S N 1.251 116.841 115.700 -0.182 0.000 2.414 128 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 128 S C 1.681 176.068 174.600 -0.355 0.000 1.022 128 S CA 1.040 59.159 58.200 -0.136 0.000 0.958 128 S CB -0.197 63.045 63.200 0.070 0.000 0.797 128 S HN 0.421 nan 8.310 nan 0.000 0.493 129 N N 1.267 119.825 118.700 -0.236 0.000 2.188 129 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 129 N C 1.642 177.010 175.510 -0.237 0.000 1.018 129 N CA 1.078 53.971 53.050 -0.262 0.000 0.858 129 N CB -0.223 38.334 38.487 0.116 0.000 0.989 129 N HN 0.130 nan 8.380 nan 0.000 0.426 130 M N 0.365 119.862 119.600 -0.172 0.000 2.394 130 M HA 0.058 4.538 4.480 -0.000 0.000 0.264 130 M C 1.515 177.720 176.300 -0.157 0.000 1.073 130 M CA 0.872 56.087 55.300 -0.140 0.000 1.111 130 M CB -0.691 31.835 32.600 -0.123 0.000 1.401 130 M HN 0.220 nan 8.290 nan 0.000 0.448 131 N N 0.362 118.940 118.700 -0.202 0.000 2.135 131 N HA -0.026 4.714 4.740 -0.000 0.000 0.186 131 N C 1.574 176.948 175.510 -0.226 0.000 1.027 131 N CA 1.774 54.688 53.050 -0.228 0.000 0.849 131 N CB -0.259 38.096 38.487 -0.221 0.000 1.002 131 N HN 0.372 nan 8.380 nan 0.000 0.425 132 A N 0.867 123.578 122.820 -0.181 0.000 1.877 132 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 132 A C 2.114 179.680 177.584 -0.031 0.000 1.186 132 A CA 1.600 53.627 52.037 -0.016 0.000 0.620 132 A CB -0.751 18.046 19.000 -0.338 0.000 0.822 132 A HN 0.375 nan 8.150 nan 0.000 0.443 133 N N 0.104 118.756 118.700 -0.079 0.000 2.084 133 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 133 N C 1.672 177.154 175.510 -0.046 0.000 1.030 133 N CA 1.687 54.710 53.050 -0.046 0.000 0.849 133 N CB -0.497 37.953 38.487 -0.062 0.000 1.012 133 N HN 0.663 nan 8.380 nan 0.000 0.423 134 E N 0.084 120.249 120.200 -0.060 0.000 2.058 134 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 134 E C 2.001 178.595 176.600 -0.010 0.000 0.997 134 E CA 1.607 57.993 56.400 -0.024 0.000 0.801 134 E CB -0.117 29.589 29.700 0.009 0.000 0.746 134 E HN 0.373 nan 8.360 nan 0.000 0.450 135 V N -0.684 119.204 119.914 -0.044 0.000 2.488 135 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 135 V C 2.014 178.050 176.094 -0.096 0.000 1.046 135 V CA 1.230 63.493 62.300 -0.062 0.000 1.053 135 V CB -0.452 31.286 31.823 -0.142 0.000 0.679 135 V HN 0.167 nan 8.190 nan 0.000 0.458 136 I N 1.021 121.571 120.570 -0.035 0.000 3.001 136 I HA -0.099 4.071 4.170 -0.000 0.000 0.268 136 I C 2.649 178.747 176.117 -0.031 0.000 1.267 136 I CA 1.459 62.745 61.300 -0.023 0.000 1.472 136 I CB -0.158 37.867 38.000 0.042 0.000 1.089 136 I HN 0.462 nan 8.210 nan 0.000 0.468 137 S N 0.837 116.523 115.700 -0.024 0.000 2.387 137 S HA -0.029 4.441 4.470 -0.000 0.000 0.221 137 S C 1.710 176.304 174.600 -0.010 0.000 1.041 137 S CA 0.744 58.944 58.200 0.001 0.000 0.959 137 S CB -0.128 63.074 63.200 0.003 0.000 0.843 137 S HN 0.429 nan 8.310 nan 0.000 0.488 138 N N 0.525 119.212 118.700 -0.023 0.000 2.459 138 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 138 N C 1.840 177.300 175.510 -0.083 0.000 1.046 138 N CA 0.539 53.589 53.050 -0.000 0.000 0.904 138 N CB -0.002 38.530 38.487 0.076 0.000 0.964 138 N HN 0.254 nan 8.380 nan 0.000 0.444 139 R N 1.443 121.800 120.500 -0.238 0.000 2.112 139 R HA 0.157 4.497 4.340 -0.000 0.000 0.216 139 R C 2.040 178.245 176.300 -0.159 0.000 1.080 139 R CA 1.048 56.926 56.100 -0.370 0.000 0.996 139 R CB -0.520 29.477 30.300 -0.506 0.000 0.902 139 R HN 0.043 nan 8.270 nan 0.000 0.449 140 A N 1.479 124.244 122.820 -0.092 0.000 1.908 140 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 140 A C 1.937 179.513 177.584 -0.014 0.000 1.181 140 A CA 1.633 53.649 52.037 -0.035 0.000 0.627 140 A CB -0.623 18.379 19.000 0.003 0.000 0.818 140 A HN 0.281 nan 8.150 nan 0.000 0.445 141 I N -0.045 120.523 120.570 -0.002 0.000 2.058 141 I HA -0.283 3.887 4.170 -0.000 0.000 0.235 141 I C 2.489 178.610 176.117 0.007 0.000 1.053 141 I CA 2.117 63.426 61.300 0.016 0.000 1.313 141 I CB -1.721 36.295 38.000 0.027 0.000 1.039 141 I HN 0.645 nan 8.210 nan 0.000 0.396 142 E N 1.340 121.542 120.200 0.003 0.000 2.136 142 E HA -0.229 4.121 4.350 -0.000 0.000 0.208 142 E C 1.225 177.824 176.600 -0.001 0.000 1.035 142 E CA 1.257 57.663 56.400 0.011 0.000 0.838 142 E CB -0.379 29.334 29.700 0.020 0.000 0.748 142 E HN 0.426 nan 8.360 nan 0.000 0.459 154 H N 2.703 121.670 119.070 -0.171 0.000 2.604 154 H HA 0.513 5.069 4.556 -0.000 0.000 0.306 154 H C -1.882 173.352 175.328 -0.157 0.000 1.075 154 H CA -1.571 54.284 56.048 -0.321 0.000 1.357 154 H CB 2.022 31.389 29.762 -0.658 0.000 1.426 154 H HN 0.167 nan 8.280 nan 0.000 0.470 155 P HA -0.172 nan 4.420 nan 0.000 0.215 155 P C 1.215 178.332 177.300 -0.306 0.000 1.153 155 P CA 1.247 64.188 63.100 -0.265 0.000 0.853 155 P CB 0.499 32.057 31.700 -0.236 0.000 0.788 156 N N -1.517 116.842 118.700 -0.569 0.000 2.245 156 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 156 N C 1.374 176.803 175.510 -0.136 0.000 1.036 156 N CA 0.782 53.647 53.050 -0.309 0.000 0.857 156 N CB -0.240 38.081 38.487 -0.277 0.000 1.015 156 N HN -0.056 nan 8.380 nan 0.000 0.436 157 N N 0.346 119.018 118.700 -0.047 0.000 2.309 157 N HA -0.083 4.657 4.740 -0.000 0.000 0.182 157 N C 1.218 176.838 175.510 0.183 0.000 1.018 157 N CA 1.061 54.175 53.050 0.108 0.000 0.876 157 N CB -0.315 38.286 38.487 0.190 0.000 0.972 157 N HN 0.549 nan 8.380 nan 0.000 0.434 158 H N -1.121 117.994 119.070 0.075 0.000 2.315 158 H HA 0.199 4.755 4.556 -0.000 0.000 0.318 158 H C 1.838 177.182 175.328 0.027 0.000 1.068 158 H CA 0.695 56.773 56.048 0.051 0.000 1.465 158 H CB -0.005 29.797 29.762 0.066 0.000 1.475 158 H HN 0.101 nan 8.280 nan 0.000 0.597 159 C N 0.775 120.165 119.300 0.150 0.000 2.440 159 C HA -0.075 4.385 4.460 -0.000 0.000 0.278 159 C C 1.985 177.017 174.990 0.069 0.000 1.295 159 C CA 0.995 60.066 59.018 0.089 0.000 1.738 159 C CB -0.844 26.930 27.740 0.056 0.000 1.987 159 C HN 0.537 nan 8.230 nan 0.000 0.492 160 N N 0.440 119.161 118.700 0.035 0.000 2.276 160 N HA 0.040 4.780 4.740 -0.000 0.000 0.212 160 N C 0.371 175.888 175.510 0.012 0.000 1.127 160 N CA -0.053 53.012 53.050 0.025 0.000 0.834 160 N CB -0.194 38.288 38.487 -0.009 0.000 1.014 160 N HN 0.579 nan 8.380 nan 0.000 0.491 161 Q N 0.206 120.023 119.800 0.028 0.000 2.300 161 Q HA 0.005 4.345 4.340 -0.000 0.000 0.280 161 Q C 0.182 176.127 176.000 -0.093 0.000 1.033 161 Q CA 0.527 56.327 55.803 -0.004 0.000 0.903 161 Q CB 0.330 29.091 28.738 0.039 0.000 1.195 161 Q HN 0.306 nan 8.270 nan 0.000 0.386 162 S N 1.700 117.297 115.700 -0.172 0.000 3.561 162 S HA -0.215 4.255 4.470 -0.000 0.000 0.318 162 S C -0.904 173.461 174.600 -0.392 0.000 1.181 162 S CA 1.606 59.577 58.200 -0.382 0.000 0.916 162 S CB -0.950 61.840 63.200 -0.683 0.000 0.966 162 S HN 0.765 nan 8.310 nan 0.000 0.550 163 Q N -0.689 119.021 119.800 -0.151 0.000 2.482 163 Q HA 0.769 5.109 4.340 -0.000 0.000 0.286 163 Q C -0.714 175.283 176.000 -0.006 0.000 1.007 163 Q CA -0.647 55.131 55.803 -0.041 0.000 0.801 163 Q CB 1.629 30.403 28.738 0.060 0.000 1.455 163 Q HN 0.222 nan 8.270 nan 0.000 0.398 164 S N -0.060 115.654 115.700 0.023 0.000 2.766 164 S HA 0.440 4.910 4.470 -0.000 0.000 0.307 164 S C 0.168 174.803 174.600 0.058 0.000 1.121 164 S CA -0.301 57.914 58.200 0.025 0.000 0.980 164 S CB 1.812 65.023 63.200 0.019 0.000 1.159 164 S HN 0.609 nan 8.310 nan 0.000 0.546 165 S N 1.419 117.147 115.700 0.046 0.000 2.562 165 S HA 0.074 4.544 4.470 -0.000 0.000 0.221 165 S C 1.120 175.775 174.600 0.091 0.000 0.975 165 S CA 0.163 58.403 58.200 0.065 0.000 0.918 165 S CB -0.375 62.825 63.200 0.001 0.000 0.772 165 S HN 0.632 nan 8.310 nan 0.000 0.531 166 N N 2.158 120.904 118.700 0.076 0.000 2.305 166 N HA -0.038 4.702 4.740 -0.000 0.000 0.179 166 N C 1.407 176.980 175.510 0.104 0.000 1.019 166 N CA 1.232 54.337 53.050 0.091 0.000 0.869 166 N CB -0.313 38.211 38.487 0.062 0.000 1.000 166 N HN 0.542 nan 8.380 nan 0.000 0.431 167 D N -0.232 120.212 120.400 0.074 0.000 2.240 167 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 167 D C 1.255 177.586 176.300 0.051 0.000 0.963 167 D CA 0.872 54.902 54.000 0.050 0.000 0.863 167 D CB -0.634 40.187 40.800 0.035 0.000 0.973 167 D HN -0.031 nan 8.370 nan 0.000 0.501 168 T N 0.309 114.919 114.554 0.093 0.000 2.737 168 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 168 T C 1.439 176.184 174.700 0.074 0.000 1.038 168 T CA 0.873 63.031 62.100 0.097 0.000 1.144 168 T CB -0.523 68.444 68.868 0.166 0.000 0.866 168 T HN 0.081 nan 8.240 nan 0.000 0.434 169 F N 3.245 123.183 119.950 -0.021 0.000 2.075 169 F HA -0.016 4.511 4.527 -0.000 0.000 0.297 169 F C -0.858 174.850 175.800 -0.153 0.000 1.113 169 F CA 0.493 58.445 58.000 -0.081 0.000 1.218 169 F CB -1.024 37.976 39.000 0.001 0.000 0.984 169 F HN 0.135 nan 8.300 nan 0.000 0.472 170 P HA -0.060 nan 4.420 nan 0.000 0.239 170 P C 0.999 178.119 177.300 -0.301 0.000 1.184 170 P CA 1.357 64.309 63.100 -0.246 0.000 0.760 170 P CB -0.225 31.450 31.700 -0.042 0.000 0.884 171 T N -1.037 113.343 114.554 -0.291 0.000 3.031 171 T HA 0.020 4.370 4.350 -0.000 0.000 0.254 171 T C 1.755 176.241 174.700 -0.357 0.000 1.060 171 T CA 0.247 62.160 62.100 -0.312 0.000 1.135 171 T CB -0.455 68.270 68.868 -0.238 0.000 0.896 171 T HN -0.099 nan 8.240 nan 0.000 0.472 172 V N 1.500 121.134 119.914 -0.468 0.000 2.719 172 V HA -0.028 4.092 4.120 -0.000 0.000 0.252 172 V C 2.131 177.919 176.094 -0.509 0.000 1.065 172 V CA 1.359 63.306 62.300 -0.589 0.000 1.086 172 V CB -0.408 30.813 31.823 -1.002 0.000 0.700 172 V HN 0.479 nan 8.190 nan 0.000 0.467 173 M N -1.174 118.116 119.600 -0.517 0.000 2.077 173 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 173 M C 2.162 178.371 176.300 -0.153 0.000 1.070 173 M CA 2.144 57.218 55.300 -0.377 0.000 1.125 173 M CB -0.785 31.588 32.600 -0.378 0.000 1.339 173 M HN 0.407 nan 8.290 nan 0.000 0.409 174 H N 0.025 118.956 119.070 -0.231 0.000 2.387 174 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 174 H C 2.176 177.494 175.328 -0.017 0.000 1.090 174 H CA 1.491 57.488 56.048 -0.084 0.000 1.332 174 H CB -0.069 29.674 29.762 -0.031 0.000 1.386 174 H HN 0.375 nan 8.280 nan 0.000 0.516 175 I N 0.672 121.208 120.570 -0.056 0.000 2.113 175 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 175 I C 2.940 179.059 176.117 0.003 0.000 1.070 175 I CA 0.938 62.181 61.300 -0.094 0.000 1.332 175 I CB -0.355 37.460 38.000 -0.309 0.000 1.044 175 I HN 0.189 nan 8.210 nan 0.000 0.402 176 A N 0.882 123.647 122.820 -0.091 0.000 1.865 176 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 176 A C 2.563 180.121 177.584 -0.043 0.000 1.191 176 A CA 2.173 54.166 52.037 -0.074 0.000 0.623 176 A CB -1.109 17.809 19.000 -0.136 0.000 0.826 176 A HN 0.449 nan 8.150 nan 0.000 0.444 177 A N -0.509 122.272 122.820 -0.066 0.000 1.892 177 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 177 A C 2.458 180.024 177.584 -0.029 0.000 1.188 177 A CA 2.419 54.417 52.037 -0.064 0.000 0.631 177 A CB -1.087 17.846 19.000 -0.111 0.000 0.822 177 A HN 0.495 nan 8.150 nan 0.000 0.447 178 S N -0.231 115.481 115.700 0.019 0.000 2.382 178 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 178 S C 1.778 176.386 174.600 0.013 0.000 1.027 178 S CA 1.513 59.727 58.200 0.024 0.000 0.991 178 S CB -0.437 62.836 63.200 0.122 0.000 0.823 178 S HN 0.512 nan 8.310 nan 0.000 0.469 179 L N 0.996 122.244 121.223 0.042 0.000 2.156 179 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 179 L C 2.660 179.532 176.870 0.003 0.000 1.095 179 L CA 0.821 55.676 54.840 0.025 0.000 0.770 179 L CB -0.441 41.640 42.059 0.036 0.000 0.914 179 L HN 0.252 nan 8.230 nan 0.000 0.439 180 Q N -0.121 119.677 119.800 -0.004 0.000 2.230 180 Q HA -0.037 4.303 4.340 -0.000 0.000 0.202 180 Q C 2.218 178.211 176.000 -0.012 0.000 0.963 180 Q CA 1.238 57.035 55.803 -0.008 0.000 0.866 180 Q CB 0.242 28.970 28.738 -0.017 0.000 0.931 180 Q HN 0.589 nan 8.270 nan 0.000 0.452 181 I N -0.197 120.362 120.570 -0.018 0.000 2.385 181 I HA -0.210 3.960 4.170 -0.000 0.000 0.244 181 I C 2.378 178.482 176.117 -0.021 0.000 1.089 181 I CA 0.662 61.950 61.300 -0.021 0.000 1.410 181 I CB -0.114 37.867 38.000 -0.032 0.000 1.117 181 I HN 0.114 nan 8.210 nan 0.000 0.429 182 Q N 1.484 121.265 119.800 -0.030 0.000 2.084 182 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 182 Q C 1.630 177.617 176.000 -0.022 0.000 0.978 182 Q CA 2.016 57.798 55.803 -0.035 0.000 0.844 182 Q CB -0.155 28.551 28.738 -0.053 0.000 0.898 182 Q HN 0.518 nan 8.270 nan 0.000 0.426 183 N N -1.382 117.308 118.700 -0.016 0.000 2.402 183 N HA -0.024 4.716 4.740 -0.000 0.000 0.174 183 N C 1.084 176.589 175.510 -0.007 0.000 1.027 183 N CA 0.547 53.591 53.050 -0.011 0.000 0.891 183 N CB 0.311 38.793 38.487 -0.009 0.000 1.016 183 N HN 0.090 nan 8.380 nan 0.000 0.439 184 E N 0.774 120.971 120.200 -0.005 0.000 2.182 184 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 184 E C 1.843 178.448 176.600 0.008 0.000 0.933 184 E CA -0.021 56.379 56.400 -0.001 0.000 0.940 184 E CB -0.619 29.080 29.700 -0.002 0.000 0.945 184 E HN 0.051 nan 8.360 nan 0.000 0.477 185 L N 1.780 123.006 121.223 0.006 0.000 1.921 185 L HA -0.101 4.239 4.340 -0.000 0.000 0.219 185 L C 2.443 179.323 176.870 0.017 0.000 1.081 185 L CA 1.525 56.372 54.840 0.013 0.000 0.771 185 L CB -0.835 41.227 42.059 0.005 0.000 0.888 185 L HN 0.102 nan 8.230 nan 0.000 0.433 186 I N -0.396 120.179 120.570 0.007 0.000 2.121 186 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 186 I C -0.320 175.806 176.117 0.014 0.000 1.047 186 I CA 2.100 63.404 61.300 0.008 0.000 1.308 186 I CB -1.725 36.273 38.000 -0.003 0.000 1.015 186 I HN 0.343 nan 8.210 nan 0.000 0.410 187 P HA -0.216 nan 4.420 nan 0.000 0.213 187 P C 1.497 178.818 177.300 0.035 0.000 1.170 187 P CA 1.514 64.626 63.100 0.019 0.000 0.902 187 P CB 0.013 31.722 31.700 0.015 0.000 0.789 188 E N -1.056 119.173 120.200 0.048 0.000 2.268 188 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 188 E C 1.676 178.317 176.600 0.068 0.000 0.995 188 E CA 0.661 57.108 56.400 0.078 0.000 0.836 188 E CB -1.037 28.726 29.700 0.106 0.000 0.763 188 E HN -0.015 nan 8.360 nan 0.000 0.491 189 L N -0.231 121.022 121.223 0.050 0.000 2.179 189 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 189 L C 2.065 178.958 176.870 0.038 0.000 1.096 189 L CA 1.623 56.489 54.840 0.044 0.000 0.779 189 L CB -0.705 41.374 42.059 0.033 0.000 0.922 189 L HN 0.119 nan 8.230 nan 0.000 0.443 190 T N -0.803 113.769 114.554 0.031 0.000 2.812 190 T HA -0.120 4.230 4.350 -0.000 0.000 0.264 190 T C 1.650 176.364 174.700 0.023 0.000 1.042 190 T CA 1.590 63.704 62.100 0.024 0.000 1.140 190 T CB -0.334 68.544 68.868 0.017 0.000 0.870 190 T HN 0.457 nan 8.240 nan 0.000 0.445 191 N N 1.216 119.933 118.700 0.027 0.000 2.120 191 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 191 N C 1.896 177.414 175.510 0.012 0.000 1.024 191 N CA 0.564 53.625 53.050 0.018 0.000 0.852 191 N CB -0.190 38.314 38.487 0.028 0.000 1.003 191 N HN 0.156 nan 8.380 nan 0.000 0.424 192 L N 2.147 123.386 121.223 0.028 0.000 2.083 192 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 192 L C 2.322 179.214 176.870 0.037 0.000 1.083 192 L CA 1.666 56.528 54.840 0.036 0.000 0.752 192 L CB -0.447 41.652 42.059 0.068 0.000 0.899 192 L HN 0.204 nan 8.230 nan 0.000 0.433 193 K N -0.335 120.086 120.400 0.036 0.000 2.062 193 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 193 K C 1.674 178.291 176.600 0.028 0.000 1.051 193 K CA 1.300 57.610 56.287 0.038 0.000 0.941 193 K CB 0.083 32.603 32.500 0.033 0.000 0.719 193 K HN 0.328 nan 8.250 nan 0.000 0.440 194 N N 1.261 119.970 118.700 0.015 0.000 2.106 194 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 194 N C 1.739 177.245 175.510 -0.006 0.000 1.029 194 N CA 1.508 54.560 53.050 0.003 0.000 0.848 194 N CB -0.549 37.937 38.487 -0.003 0.000 1.007 194 N HN 0.296 nan 8.380 nan 0.000 0.423 195 A N 1.044 123.857 122.820 -0.011 0.000 1.933 195 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 195 A C 2.329 179.911 177.584 -0.002 0.000 1.175 195 A CA 0.946 52.966 52.037 -0.028 0.000 0.628 195 A CB -0.699 18.270 19.000 -0.052 0.000 0.814 195 A HN 0.222 nan 8.150 nan 0.000 0.444 196 L N -1.168 120.077 121.223 0.037 0.000 2.109 196 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 196 L C 2.637 179.569 176.870 0.105 0.000 1.086 196 L CA 1.579 56.485 54.840 0.111 0.000 0.760 196 L CB -0.355 41.774 42.059 0.118 0.000 0.910 196 L HN 0.552 nan 8.230 nan 0.000 0.437 197 E N 0.167 120.395 120.200 0.046 0.000 2.208 197 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 197 E C 2.121 178.701 176.600 -0.033 0.000 0.988 197 E CA 0.834 57.246 56.400 0.019 0.000 0.828 197 E CB 0.177 29.884 29.700 0.013 0.000 0.763 197 E HN 0.461 nan 8.360 nan 0.000 0.478 198 A N 1.612 124.398 122.820 -0.056 0.000 1.873 198 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 198 A C 2.046 179.505 177.584 -0.209 0.000 1.186 198 A CA 1.191 53.166 52.037 -0.103 0.000 0.616 198 A CB -0.230 18.716 19.000 -0.090 0.000 0.823 198 A HN 0.032 nan 8.150 nan 0.000 0.442 199 K N 0.167 120.402 120.400 -0.274 0.000 2.148 199 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 199 K C 2.341 178.498 176.600 -0.738 0.000 1.050 199 K CA 1.312 57.193 56.287 -0.678 0.000 0.942 199 K CB -0.701 31.497 32.500 -0.504 0.000 0.724 199 K HN 0.501 nan 8.250 nan 0.000 0.446 200 S N 1.351 116.899 115.700 -0.252 0.000 2.356 200 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 200 S C 1.851 176.369 174.600 -0.137 0.000 1.032 200 S CA 1.375 59.511 58.200 -0.106 0.000 1.005 200 S CB 0.067 63.285 63.200 0.030 0.000 0.867 200 S HN 0.272 nan 8.310 nan 0.000 0.449 201 K N 0.537 120.857 120.400 -0.134 0.000 2.057 201 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 201 K C 2.358 178.902 176.600 -0.094 0.000 1.050 201 K CA 1.455 57.691 56.287 -0.085 0.000 0.935 201 K CB -0.239 32.220 32.500 -0.070 0.000 0.715 201 K HN 0.551 nan 8.250 nan 0.000 0.439 202 E N -0.011 120.052 120.200 -0.227 0.000 2.153 202 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 202 E C 0.520 177.139 176.600 0.031 0.000 0.988 202 E CA 0.964 57.244 56.400 -0.199 0.000 0.811 202 E CB 0.174 29.610 29.700 -0.439 0.000 0.746 202 E HN 0.181 nan 8.360 nan 0.000 0.466 203 F N 0.123 120.014 119.950 -0.097 0.000 2.647 203 F HA 0.219 4.746 4.527 -0.000 0.000 0.300 203 F C 1.078 176.766 175.800 -0.187 0.000 1.106 203 F CA -0.462 57.416 58.000 -0.204 0.000 1.313 203 F CB -0.127 38.666 39.000 -0.345 0.000 1.007 203 F HN -0.047 nan 8.300 nan 0.000 0.536 204 D N -0.072 120.381 120.400 0.088 0.000 2.263 204 D HA -0.184 4.456 4.640 -0.000 0.000 0.208 204 D C 2.348 178.693 176.300 0.074 0.000 0.971 204 D CA 1.269 55.306 54.000 0.061 0.000 0.867 204 D CB 0.035 40.869 40.800 0.056 0.000 0.929 204 D HN 0.394 nan 8.370 nan 0.000 0.492 205 H N -0.742 118.353 119.070 0.042 0.000 2.544 205 H HA 0.107 4.663 4.556 -0.000 0.000 0.269 205 H C 0.448 175.795 175.328 0.030 0.000 0.970 205 H CA 0.000 56.068 56.048 0.032 0.000 1.219 205 H CB -0.238 29.540 29.762 0.026 0.000 1.421 205 H HN 0.122 nan 8.280 nan 0.000 0.555 206 I N 3.215 123.467 120.570 -0.530 0.000 2.379 206 I HA 0.050 4.220 4.170 -0.000 0.000 0.290 206 I C -0.202 175.826 176.117 -0.148 0.000 1.063 206 I CA -0.484 60.587 61.300 -0.381 0.000 1.351 206 I CB 1.419 39.143 38.000 -0.460 0.000 1.410 206 I HN -0.132 nan 8.210 nan 0.000 0.505 207 V N 7.825 127.699 119.914 -0.066 0.000 2.498 207 V HA 0.335 4.455 4.120 -0.000 0.000 0.279 207 V C 0.289 176.371 176.094 -0.019 0.000 1.048 207 V CA -0.431 61.857 62.300 -0.019 0.000 0.967 207 V CB 0.989 32.821 31.823 0.015 0.000 0.988 207 V HN 0.803 nan 8.190 nan 0.000 0.473 208 K N 4.229 124.623 120.400 -0.011 0.000 2.409 208 K HA 0.677 4.997 4.320 -0.000 0.000 0.252 208 K C -1.331 175.279 176.600 0.018 0.000 1.036 208 K CA -1.053 55.234 56.287 -0.000 0.000 0.871 208 K CB 1.946 34.444 32.500 -0.004 0.000 1.374 208 K HN 0.265 nan 8.250 nan 0.000 0.459 209 I N 1.534 122.122 120.570 0.031 0.000 2.472 209 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 209 I C 0.807 176.955 176.117 0.052 0.000 1.016 209 I CA 0.033 61.358 61.300 0.040 0.000 1.348 209 I CB 0.885 38.912 38.000 0.046 0.000 1.417 209 I HN 0.873 nan 8.210 nan 0.000 0.521 210 G N 5.733 114.562 108.800 0.048 0.000 2.448 210 G HA2 0.509 4.469 3.960 -0.000 0.000 0.285 210 G HA3 0.509 4.469 3.960 -0.000 0.000 0.285 210 G C -0.144 174.793 174.900 0.062 0.000 1.176 210 G CA -0.615 44.515 45.100 0.050 0.000 0.852 210 G HN 0.586 nan 8.290 nan 0.000 0.530 211 R N 0.893 121.429 120.500 0.061 0.000 2.415 211 R HA 0.287 4.627 4.340 -0.000 0.000 0.292 211 R C -0.141 176.192 176.300 0.055 0.000 1.295 211 R CA -0.427 55.715 56.100 0.070 0.000 1.137 211 R CB 1.229 31.582 30.300 0.088 0.000 1.135 211 R HN 0.704 nan 8.270 nan 0.000 0.560 212 T N -1.381 113.219 114.554 0.078 0.000 2.875 212 T HA 0.176 4.526 4.350 -0.000 0.000 0.284 212 T C 0.653 175.455 174.700 0.171 0.000 0.995 212 T CA -0.463 61.683 62.100 0.077 0.000 1.060 212 T CB 0.801 69.751 68.868 0.137 0.000 0.967 212 T HN 0.742 nan 8.240 nan 0.000 0.476 213 H N 1.551 120.629 119.070 0.013 0.000 2.822 213 H HA -0.170 4.386 4.556 -0.000 0.000 0.295 213 H C 1.063 176.399 175.328 0.014 0.000 1.151 213 H CA 0.754 56.809 56.048 0.012 0.000 1.151 213 H CB -1.527 28.243 29.762 0.013 0.000 1.343 213 H HN 0.847 nan 8.280 nan 0.000 0.382 214 L N -2.862 118.414 121.223 0.088 0.000 5.051 214 L HA -0.309 4.031 4.340 -0.000 0.000 0.432 214 L C 0.794 177.722 176.870 0.097 0.000 1.055 214 L CA 1.313 56.196 54.840 0.071 0.000 1.095 214 L CB -0.837 41.252 42.059 0.050 0.000 1.957 214 L HN 0.270 nan 8.230 nan 0.000 0.727 215 Q N 0.503 120.369 119.800 0.110 0.000 2.249 215 Q HA 0.328 4.668 4.340 -0.000 0.000 0.226 215 Q C -0.075 175.973 176.000 0.081 0.000 0.983 215 Q CA -0.406 55.449 55.803 0.086 0.000 0.930 215 Q CB 0.620 29.401 28.738 0.071 0.000 1.193 215 Q HN 0.009 nan 8.270 nan 0.000 0.508 216 D N 0.379 120.817 120.400 0.063 0.000 2.425 216 D HA 0.384 5.024 4.640 -0.000 0.000 0.247 216 D C -0.462 175.870 176.300 0.052 0.000 1.147 216 D CA 0.324 54.358 54.000 0.057 0.000 0.879 216 D CB 0.680 41.506 40.800 0.044 0.000 1.179 216 D HN 0.545 nan 8.370 nan 0.000 0.456 217 A N 1.411 124.262 122.820 0.053 0.000 2.507 217 A HA 0.758 5.078 4.320 -0.000 0.000 0.284 217 A C -0.037 177.571 177.584 0.040 0.000 1.281 217 A CA -0.697 51.369 52.037 0.048 0.000 0.744 217 A CB 0.511 19.545 19.000 0.058 0.000 1.332 217 A HN 0.488 nan 8.150 nan 0.000 0.454 218 T N 0.374 114.949 114.554 0.036 0.000 2.860 218 T HA 0.510 4.860 4.350 -0.000 0.000 0.299 218 T C -2.152 172.566 174.700 0.030 0.000 1.045 218 T CA -0.926 61.192 62.100 0.031 0.000 1.071 218 T CB 0.255 69.140 68.868 0.028 0.000 0.985 218 T HN 0.542 nan 8.240 nan 0.000 0.537 219 P HA 0.438 nan 4.420 nan 0.000 0.272 219 P C -0.617 176.698 177.300 0.023 0.000 1.240 219 P CA -0.560 62.554 63.100 0.024 0.000 0.791 219 P CB 0.567 32.280 31.700 0.022 0.000 0.978 220 L N -2.510 118.725 121.223 0.020 0.000 2.710 220 L HA 0.569 4.909 4.340 -0.000 0.000 0.260 220 L C -0.457 176.419 176.870 0.010 0.000 0.993 220 L CA -0.983 53.867 54.840 0.017 0.000 0.877 220 L CB 1.612 43.680 42.059 0.015 0.000 1.461 220 L HN 0.412 nan 8.230 nan 0.000 0.413 221 T N -0.690 113.868 114.554 0.007 0.000 2.899 221 T HA 0.273 4.623 4.350 -0.000 0.000 0.295 221 T C 0.840 175.538 174.700 -0.004 0.000 1.033 221 T CA -0.290 61.807 62.100 -0.005 0.000 1.084 221 T CB 1.407 70.275 68.868 0.001 0.000 0.979 221 T HN 0.750 nan 8.240 nan 0.000 0.532 222 L N 2.568 123.773 121.223 -0.029 0.000 2.275 222 L HA 0.222 4.562 4.340 -0.000 0.000 0.215 222 L C 2.321 179.208 176.870 0.029 0.000 1.119 222 L CA 2.043 56.873 54.840 -0.016 0.000 0.790 222 L CB -1.184 40.795 42.059 -0.134 0.000 0.919 222 L HN 0.972 nan 8.230 nan 0.000 0.443 223 G N -1.421 107.392 108.800 0.023 0.000 2.403 223 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 223 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 223 G C 1.457 176.382 174.900 0.043 0.000 1.154 223 G CA 0.542 45.660 45.100 0.030 0.000 0.784 223 G HN 0.508 nan 8.290 nan 0.000 0.538 224 Q N -0.301 119.511 119.800 0.021 0.000 2.172 224 Q HA -0.030 4.310 4.340 -0.000 0.000 0.200 224 Q C 2.338 178.317 176.000 -0.035 0.000 0.964 224 Q CA 1.123 56.926 55.803 0.000 0.000 0.855 224 Q CB -0.051 28.688 28.738 0.000 0.000 0.918 224 Q HN 0.677 nan 8.270 nan 0.000 0.444 225 E N 0.094 120.279 120.200 -0.024 0.000 2.051 225 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 225 E C 1.244 177.567 176.600 -0.460 0.000 0.991 225 E CA 0.957 57.275 56.400 -0.138 0.000 0.799 225 E CB 0.020 29.734 29.700 0.022 0.000 0.748 225 E HN 0.246 nan 8.360 nan 0.000 0.449 226 F N 0.732 120.393 119.950 -0.481 0.000 2.502 226 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 226 F C 2.506 178.157 175.800 -0.248 0.000 1.111 226 F CA 1.116 58.840 58.000 -0.460 0.000 1.445 226 F CB -0.124 38.840 39.000 -0.061 0.000 1.081 226 F HN 0.091 nan 8.300 nan 0.000 0.558 227 S N -1.359 114.323 115.700 -0.031 0.000 2.562 227 S HA 0.087 4.557 4.470 -0.000 0.000 0.221 227 S C 2.224 176.804 174.600 -0.033 0.000 0.975 227 S CA 0.598 58.794 58.200 -0.006 0.000 0.918 227 S CB -0.571 62.632 63.200 0.004 0.000 0.772 227 S HN 0.277 nan 8.310 nan 0.000 0.531 228 G N 0.260 108.988 108.800 -0.121 0.000 2.426 228 G HA2 0.056 4.016 3.960 -0.000 0.000 0.214 228 G HA3 0.056 4.016 3.960 -0.000 0.000 0.214 228 G C 1.120 176.059 174.900 0.065 0.000 1.156 228 G CA 0.252 45.320 45.100 -0.053 0.000 0.802 228 G HN 0.498 nan 8.290 nan 0.000 0.534 229 Y N 1.054 121.332 120.300 -0.035 0.000 2.163 229 Y HA -0.028 4.522 4.550 -0.000 0.000 0.288 229 Y C 2.985 178.868 175.900 -0.028 0.000 1.136 229 Y CA -0.176 57.881 58.100 -0.072 0.000 1.147 229 Y CB -1.150 37.192 38.460 -0.196 0.000 0.987 229 Y HN 0.020 nan 8.280 nan 0.000 0.509 230 V N 0.099 120.097 119.914 0.140 0.000 2.332 230 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 230 V C 2.436 178.567 176.094 0.063 0.000 1.055 230 V CA 2.190 64.544 62.300 0.089 0.000 1.038 230 V CB -0.671 31.193 31.823 0.069 0.000 0.651 230 V HN 0.286 nan 8.190 nan 0.000 0.450 231 Q N -0.170 119.661 119.800 0.053 0.000 2.119 231 Q HA -0.192 4.148 4.340 -0.000 0.000 0.201 231 Q C 2.234 178.259 176.000 0.041 0.000 0.972 231 Q CA 1.730 57.555 55.803 0.037 0.000 0.847 231 Q CB -0.266 28.488 28.738 0.027 0.000 0.903 231 Q HN 0.689 nan 8.270 nan 0.000 0.433 232 Q N -1.037 118.798 119.800 0.058 0.000 2.050 232 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 232 Q C 2.085 178.110 176.000 0.041 0.000 0.980 232 Q CA 1.706 57.539 55.803 0.051 0.000 0.840 232 Q CB -0.015 28.763 28.738 0.067 0.000 0.898 232 Q HN 0.267 nan 8.270 nan 0.000 0.424 233 V N 1.032 120.976 119.914 0.050 0.000 2.295 233 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 233 V C 2.229 178.343 176.094 0.033 0.000 1.049 233 V CA 2.041 64.366 62.300 0.042 0.000 1.024 233 V CB -0.568 31.286 31.823 0.051 0.000 0.648 233 V HN 0.348 nan 8.190 nan 0.000 0.447 234 E N 1.167 121.386 120.200 0.032 0.000 2.058 234 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 234 E C 1.956 178.567 176.600 0.019 0.000 0.997 234 E CA 2.135 58.549 56.400 0.024 0.000 0.801 234 E CB -0.585 29.128 29.700 0.022 0.000 0.746 234 E HN 0.695 nan 8.360 nan 0.000 0.450 235 N N -0.599 118.111 118.700 0.018 0.000 2.149 235 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 235 N C 1.868 177.385 175.510 0.011 0.000 1.019 235 N CA 0.852 53.908 53.050 0.011 0.000 0.857 235 N CB -0.337 38.155 38.487 0.009 0.000 0.997 235 N HN 0.333 nan 8.380 nan 0.000 0.426 236 G N 1.644 110.454 108.800 0.016 0.000 2.442 236 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 236 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 236 G C 1.531 176.441 174.900 0.018 0.000 1.141 236 G CA 0.412 45.522 45.100 0.016 0.000 0.763 236 G HN 0.205 nan 8.290 nan 0.000 0.554 237 I N 0.292 120.873 120.570 0.019 0.000 2.179 237 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 237 I C 2.890 179.020 176.117 0.022 0.000 1.088 237 I CA 0.954 62.265 61.300 0.019 0.000 1.357 237 I CB -0.221 37.789 38.000 0.017 0.000 1.051 237 I HN 0.116 nan 8.210 nan 0.000 0.409 238 Q N 0.738 120.552 119.800 0.022 0.000 2.226 238 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 238 Q C 2.230 178.260 176.000 0.050 0.000 0.975 238 Q CA 1.344 57.165 55.803 0.031 0.000 0.866 238 Q CB -0.404 28.343 28.738 0.015 0.000 0.915 238 Q HN 0.536 nan 8.270 nan 0.000 0.440 239 R N 0.144 120.664 120.500 0.033 0.000 2.073 239 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 239 R C 2.432 178.773 176.300 0.069 0.000 1.120 239 R CA 1.494 57.618 56.100 0.040 0.000 0.967 239 R CB -0.330 29.979 30.300 0.015 0.000 0.862 239 R HN 0.289 nan 8.270 nan 0.000 0.436 240 V N -2.263 117.676 119.914 0.042 0.000 2.649 240 V HA 0.106 4.226 4.120 -0.000 0.000 0.248 240 V C 2.156 178.264 176.094 0.023 0.000 1.054 240 V CA 1.428 63.745 62.300 0.028 0.000 1.073 240 V CB -0.464 31.365 31.823 0.010 0.000 0.699 240 V HN 0.203 nan 8.190 nan 0.000 0.463 241 A N 0.387 123.226 122.820 0.031 0.000 1.930 241 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 241 A C 2.157 179.753 177.584 0.020 0.000 1.175 241 A CA 2.079 54.124 52.037 0.012 0.000 0.627 241 A CB -1.059 17.951 19.000 0.016 0.000 0.815 241 A HN 0.838 nan 8.150 nan 0.000 0.443 242 H N 0.905 119.963 119.070 -0.020 0.000 2.389 242 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 242 H C 2.312 177.635 175.328 -0.009 0.000 1.081 242 H CA 2.033 58.074 56.048 -0.012 0.000 1.345 242 H CB -0.089 29.671 29.762 -0.004 0.000 1.393 242 H HN 0.531 nan 8.280 nan 0.000 0.520 243 S N 0.236 115.940 115.700 0.006 0.000 2.419 243 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 243 S C 2.128 176.667 174.600 -0.101 0.000 1.016 243 S CA 1.164 59.340 58.200 -0.039 0.000 0.974 243 S CB -0.705 62.497 63.200 0.003 0.000 0.786 243 S HN 0.496 nan 8.310 nan 0.000 0.492 244 L N 0.753 121.908 121.223 -0.114 0.000 2.189 244 L HA -0.151 4.189 4.340 -0.000 0.000 0.214 244 L C 2.682 179.459 176.870 -0.156 0.000 1.097 244 L CA 1.450 56.209 54.840 -0.136 0.000 0.764 244 L CB -0.571 41.398 42.059 -0.150 0.000 0.900 244 L HN 0.386 nan 8.230 nan 0.000 0.436 245 K N -0.179 120.113 120.400 -0.180 0.000 2.002 245 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 245 K C 2.118 178.769 176.600 0.084 0.000 1.048 245 K CA 1.977 58.185 56.287 -0.132 0.000 0.930 245 K CB -0.411 31.955 32.500 -0.223 0.000 0.714 245 K HN 0.423 nan 8.250 nan 0.000 0.438 246 T N 0.567 115.184 114.554 0.106 0.000 2.915 246 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 246 T C 1.852 176.758 174.700 0.344 0.000 1.071 246 T CA 0.829 63.092 62.100 0.273 0.000 1.132 246 T CB -0.268 68.669 68.868 0.115 0.000 0.878 246 T HN 0.075 nan 8.240 nan 0.000 0.479 247 L N 1.999 123.295 121.223 0.122 0.000 2.395 247 L HA 0.059 4.399 4.340 -0.000 0.000 0.218 247 L C 2.980 180.072 176.870 0.370 0.000 1.130 247 L CA 0.915 55.814 54.840 0.098 0.000 0.826 247 L CB -0.696 41.286 42.059 -0.127 0.000 0.941 247 L HN 0.427 nan 8.230 nan 0.000 0.451 248 S N 0.028 115.777 115.700 0.080 0.000 2.442 248 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 248 S C 0.652 175.208 174.600 -0.074 0.000 1.007 248 S CA 0.326 58.450 58.200 -0.127 0.000 0.965 248 S CB -0.635 62.269 63.200 -0.495 0.000 0.773 248 S HN 0.191 nan 8.310 nan 0.000 0.504 249 F N 2.116 122.189 119.950 0.205 0.000 2.444 249 F HA 0.536 5.063 4.527 -0.000 0.000 0.360 249 F C -0.056 175.748 175.800 0.007 0.000 1.106 249 F CA -1.130 56.935 58.000 0.108 0.000 1.170 249 F CB 0.455 39.499 39.000 0.073 0.000 1.113 249 F HN 0.020 nan 8.300 nan 0.000 0.521 250 L N 2.940 124.201 121.223 0.063 0.000 2.309 250 L HA 0.478 4.817 4.340 -0.000 0.000 0.282 250 L C 1.132 177.939 176.870 -0.105 0.000 1.036 250 L CA -0.326 54.439 54.840 -0.126 0.000 0.806 250 L CB 1.208 43.161 42.059 -0.176 0.000 1.220 250 L HN 0.753 nan 8.230 nan 0.000 0.429 251 A N 2.218 124.941 122.820 -0.162 0.000 1.929 251 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 251 A C 1.027 178.578 177.584 -0.056 0.000 1.176 251 A CA 0.340 52.320 52.037 -0.094 0.000 0.628 251 A CB -0.446 18.505 19.000 -0.082 0.000 0.816 251 A HN 0.758 nan 8.150 nan 0.000 0.444 252 Q N -0.449 119.314 119.800 -0.062 0.000 2.859 252 Q HA 0.217 4.557 4.340 -0.000 0.000 0.364 252 Q C 0.915 176.956 176.000 0.069 0.000 1.067 252 Q CA 1.590 57.400 55.803 0.011 0.000 1.162 252 Q CB -0.393 28.311 28.738 -0.057 0.000 1.023 252 Q HN 1.135 nan 8.270 nan 0.000 0.415 253 G N 1.862 110.784 108.800 0.203 0.000 2.255 253 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.196 253 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.196 253 G C 0.561 175.512 174.900 0.084 0.000 0.998 253 G CA 0.065 45.316 45.100 0.253 0.000 0.656 253 G HN 1.003 nan 8.290 nan 0.000 0.490 254 G N 0.490 109.294 108.800 0.008 0.000 2.986 254 G HA2 0.478 4.438 3.960 -0.000 0.000 0.213 254 G HA3 0.478 4.438 3.960 -0.000 0.000 0.213 254 G C 1.338 176.200 174.900 -0.065 0.000 1.156 254 G CA 2.105 47.153 45.100 -0.087 0.000 0.763 254 G HN 2.003 nan 8.290 nan 0.000 0.547 255 T N -1.099 113.448 114.554 -0.012 0.000 13.885 255 T HA -0.429 3.921 4.350 -0.000 0.000 0.414 255 T C 2.000 176.699 174.700 -0.001 0.000 1.445 255 T CA 2.010 64.106 62.100 -0.007 0.000 2.305 255 T CB -1.388 67.468 68.868 -0.021 0.000 2.728 255 T HN 1.210 nan 8.240 nan 0.000 0.311 256 A N 1.086 123.908 122.820 0.003 0.000 2.015 256 A HA 0.365 4.685 4.320 -0.000 0.000 0.219 256 A C 2.547 180.150 177.584 0.032 0.000 1.163 256 A CA 3.170 55.218 52.037 0.019 0.000 0.646 256 A CB -0.636 18.376 19.000 0.019 0.000 0.806 256 A HN 2.009 nan 8.150 nan 0.000 0.448 257 V N -6.442 113.487 119.914 0.025 0.000 3.392 257 V HA 0.608 4.728 4.120 -0.000 0.000 0.294 257 V C 1.086 177.172 176.094 -0.012 0.000 1.561 257 V CA 0.563 62.904 62.300 0.068 0.000 1.056 257 V CB -0.433 31.469 31.823 0.133 0.000 0.882 257 V HN 1.442 nan 8.190 nan 0.000 0.440 258 G N 0.127 108.795 108.800 -0.219 0.000 2.195 258 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 258 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 258 G C 0.298 174.743 174.900 -0.759 0.000 0.990 258 G CA 0.212 44.883 45.100 -0.716 0.000 0.639 258 G HN 0.666 nan 8.290 nan 0.000 0.514 259 T N 0.661 115.095 114.554 -0.199 0.000 2.910 259 T HA 0.497 4.847 4.350 -0.000 0.000 0.293 259 T C 1.731 176.422 174.700 -0.014 0.000 1.015 259 T CA 0.891 63.014 62.100 0.038 0.000 1.094 259 T CB 1.184 70.149 68.868 0.162 0.000 0.968 259 T HN 0.829 nan 8.240 nan 0.000 0.521 260 G N 2.882 111.694 108.800 0.020 0.000 2.498 260 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.219 260 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.219 260 G C 0.693 175.596 174.900 0.006 0.000 1.119 260 G CA 0.019 45.127 45.100 0.014 0.000 0.766 260 G HN 0.613 nan 8.290 nan 0.000 0.552 261 L N 0.571 121.801 121.223 0.013 0.000 2.640 261 L HA -0.075 4.264 4.340 -0.000 0.000 0.300 261 L C 0.847 177.703 176.870 -0.023 0.000 1.259 261 L CA 1.431 56.272 54.840 0.002 0.000 0.879 261 L CB -0.401 41.665 42.059 0.012 0.000 1.125 261 L HN 0.575 nan 8.230 nan 0.000 0.507 262 N N 0.670 119.351 118.700 -0.032 0.000 2.776 262 N HA -0.184 4.555 4.740 -0.000 0.000 0.250 262 N C -0.966 174.477 175.510 -0.112 0.000 1.112 262 N CA 0.914 53.929 53.050 -0.058 0.000 0.733 262 N CB -1.129 37.327 38.487 -0.051 0.000 1.097 262 N HN 0.774 nan 8.380 nan 0.000 0.558 263 T N -0.402 114.090 114.554 -0.104 0.000 2.912 263 T HA 0.347 4.697 4.350 -0.000 0.000 0.299 263 T C -0.379 174.277 174.700 -0.074 0.000 1.052 263 T CA -0.959 61.041 62.100 -0.168 0.000 0.996 263 T CB 2.169 70.963 68.868 -0.124 0.000 1.070 263 T HN -0.132 nan 8.240 nan 0.000 0.465 264 K N 3.135 123.494 120.400 -0.069 0.000 2.237 264 K HA 0.337 4.657 4.320 -0.000 0.000 0.270 264 K C -2.336 174.312 176.600 0.079 0.000 1.015 264 K CA -2.385 53.911 56.287 0.016 0.000 0.949 264 K CB 0.354 32.873 32.500 0.030 0.000 0.976 264 K HN 0.380 nan 8.250 nan 0.000 0.472 265 P HA 0.012 nan 4.420 nan 0.000 0.267 265 P C 0.507 177.860 177.300 0.089 0.000 1.209 265 P CA 0.408 63.551 63.100 0.073 0.000 0.763 265 P CB 0.444 32.173 31.700 0.049 0.000 0.816 266 G N 3.151 112.008 108.800 0.095 0.000 2.175 266 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.244 266 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.244 266 G C 0.440 175.395 174.900 0.092 0.000 0.982 266 G CA 0.162 45.306 45.100 0.074 0.000 0.641 266 G HN 0.497 nan 8.290 nan 0.000 0.527 267 F N 2.762 122.711 119.950 -0.001 0.000 2.134 267 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 267 F C 2.249 178.042 175.800 -0.011 0.000 1.097 267 F CA 2.530 60.527 58.000 -0.005 0.000 1.264 267 F CB -0.282 38.715 39.000 -0.005 0.000 1.001 267 F HN 0.364 nan 8.300 nan 0.000 0.479 268 D N 0.523 120.895 120.400 -0.047 0.000 2.103 268 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 268 D C 2.117 178.301 176.300 -0.194 0.000 0.997 268 D CA 2.047 55.953 54.000 -0.157 0.000 0.833 268 D CB -1.206 39.590 40.800 -0.006 0.000 0.961 268 D HN 0.241 nan 8.370 nan 0.000 0.447 269 V N 0.403 120.260 119.914 -0.094 0.000 2.392 269 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 269 V C 2.352 178.381 176.094 -0.107 0.000 1.059 269 V CA 1.767 64.022 62.300 -0.074 0.000 1.051 269 V CB -0.546 31.260 31.823 -0.027 0.000 0.658 269 V HN 0.188 nan 8.190 nan 0.000 0.455 270 K N -0.278 120.040 120.400 -0.136 0.000 2.007 270 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 270 K C 2.135 178.608 176.600 -0.211 0.000 1.047 270 K CA 1.318 57.524 56.287 -0.134 0.000 0.937 270 K CB -0.651 31.795 32.500 -0.090 0.000 0.718 270 K HN 0.412 nan 8.250 nan 0.000 0.438 271 I N 1.654 121.979 120.570 -0.408 0.000 2.179 271 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 271 I C 1.979 177.920 176.117 -0.292 0.000 1.088 271 I CA 1.470 62.496 61.300 -0.456 0.000 1.357 271 I CB -0.370 37.072 38.000 -0.930 0.000 1.051 271 I HN 0.133 nan 8.210 nan 0.000 0.409 272 A N -0.894 121.769 122.820 -0.262 0.000 2.172 272 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 272 A C 2.279 179.810 177.584 -0.089 0.000 1.154 272 A CA 1.645 53.582 52.037 -0.167 0.000 0.701 272 A CB -0.663 18.264 19.000 -0.122 0.000 0.789 272 A HN 0.630 nan 8.150 nan 0.000 0.465 273 E N -1.307 118.836 120.200 -0.096 0.000 2.127 273 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 273 E C 2.091 178.661 176.600 -0.049 0.000 0.964 273 E CA 0.629 56.997 56.400 -0.054 0.000 0.832 273 E CB -0.026 29.640 29.700 -0.056 0.000 0.790 273 E HN 0.507 nan 8.360 nan 0.000 0.465 274 Q N 0.895 120.648 119.800 -0.079 0.000 2.167 274 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 274 Q C 1.782 177.747 176.000 -0.058 0.000 0.970 274 Q CA 1.391 57.155 55.803 -0.065 0.000 0.855 274 Q CB -0.091 28.599 28.738 -0.080 0.000 0.911 274 Q HN 0.385 nan 8.270 nan 0.000 0.438 275 I N -0.539 119.978 120.570 -0.087 0.000 2.439 275 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 275 I C 1.967 178.086 176.117 0.003 0.000 1.139 275 I CA 0.871 62.111 61.300 -0.100 0.000 1.438 275 I CB -0.178 37.682 38.000 -0.233 0.000 1.085 275 I HN 0.075 nan 8.210 nan 0.000 0.427 276 S N 0.487 116.226 115.700 0.065 0.000 2.383 276 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 276 S C 2.029 176.668 174.600 0.065 0.000 1.026 276 S CA 1.171 59.461 58.200 0.150 0.000 0.981 276 S CB -0.166 63.092 63.200 0.095 0.000 0.818 276 S HN 0.353 nan 8.310 nan 0.000 0.472 277 K N 0.763 121.176 120.400 0.022 0.000 2.217 277 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 277 K C 1.887 178.491 176.600 0.006 0.000 1.051 277 K CA 0.712 57.002 56.287 0.006 0.000 0.952 277 K CB 0.062 32.558 32.500 -0.007 0.000 0.736 277 K HN 0.157 nan 8.250 nan 0.000 0.453 278 E N -0.086 120.118 120.200 0.006 0.000 2.158 278 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 278 E C 1.766 178.374 176.600 0.013 0.000 0.982 278 E CA 1.462 57.862 56.400 -0.000 0.000 0.823 278 E CB 0.281 29.971 29.700 -0.016 0.000 0.766 278 E HN 0.473 nan 8.360 nan 0.000 0.468 279 T N -3.910 110.671 114.554 0.046 0.000 3.031 279 T HA 0.213 4.563 4.350 -0.000 0.000 0.254 279 T C 1.566 176.297 174.700 0.051 0.000 1.060 279 T CA 0.960 63.105 62.100 0.074 0.000 1.135 279 T CB 0.493 69.477 68.868 0.192 0.000 0.896 279 T HN 0.192 nan 8.240 nan 0.000 0.472 280 G N 0.833 109.655 108.800 0.037 0.000 2.176 280 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.232 280 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.232 280 G C -0.312 174.571 174.900 -0.027 0.000 0.986 280 G CA 0.015 45.116 45.100 0.001 0.000 0.643 280 G HN 0.566 nan 8.290 nan 0.000 0.522 281 L N 0.171 121.382 121.223 -0.021 0.000 2.330 281 L HA 0.666 5.006 4.340 -0.000 0.000 0.271 281 L C 0.451 177.202 176.870 -0.199 0.000 1.013 281 L CA -0.998 53.743 54.840 -0.165 0.000 0.816 281 L CB 1.730 43.614 42.059 -0.292 0.000 1.287 281 L HN 0.136 nan 8.230 nan 0.000 0.435 282 K N 1.394 121.602 120.400 -0.319 0.000 2.248 282 K HA 0.526 4.846 4.320 -0.000 0.000 0.281 282 K C -1.645 174.702 176.600 -0.422 0.000 1.054 282 K CA -0.176 55.961 56.287 -0.250 0.000 0.903 282 K CB 0.397 32.779 32.500 -0.198 0.000 1.077 282 K HN 0.338 nan 8.250 nan 0.000 0.474 283 F N 2.339 122.203 119.950 -0.144 0.000 2.529 283 F HA 0.291 4.818 4.527 -0.000 0.000 0.320 283 F C 0.037 175.723 175.800 -0.191 0.000 1.118 283 F CA -0.705 57.189 58.000 -0.177 0.000 0.915 283 F CB 2.242 41.162 39.000 -0.134 0.000 1.161 283 F HN 0.453 nan 8.300 nan 0.000 0.445 284 Q N 0.246 120.001 119.800 -0.075 0.000 2.286 284 Q HA 0.564 4.904 4.340 -0.000 0.000 0.250 284 Q C -0.365 175.629 176.000 -0.009 0.000 1.021 284 Q CA -0.723 55.025 55.803 -0.092 0.000 0.930 284 Q CB 1.684 30.298 28.738 -0.206 0.000 1.266 284 Q HN 0.594 nan 8.270 nan 0.000 0.491 285 T N -0.222 114.358 114.554 0.043 0.000 2.929 285 T HA 0.685 5.035 4.350 -0.000 0.000 0.284 285 T C -0.880 173.927 174.700 0.179 0.000 1.014 285 T CA -0.548 61.587 62.100 0.059 0.000 1.051 285 T CB 0.609 69.481 68.868 0.007 0.000 1.028 285 T HN 0.606 nan 8.240 nan 0.000 0.485 286 A N 5.430 128.338 122.820 0.147 0.000 2.488 286 A HA 0.376 4.696 4.320 -0.000 0.000 0.249 286 A C -1.039 176.600 177.584 0.093 0.000 1.083 286 A CA -1.018 51.118 52.037 0.165 0.000 0.768 286 A CB -0.006 19.034 19.000 0.066 0.000 1.017 286 A HN 0.728 nan 8.150 nan 0.000 0.496 287 P HA -0.109 nan 4.420 nan 0.000 0.217 287 P C 0.158 177.484 177.300 0.043 0.000 1.150 287 P CA 1.020 64.148 63.100 0.047 0.000 0.832 287 P CB 0.154 31.853 31.700 -0.002 0.000 0.787 288 N N -0.163 118.556 118.700 0.031 0.000 2.569 288 N HA 0.127 4.867 4.740 -0.000 0.000 0.254 288 N C 0.608 176.132 175.510 0.023 0.000 1.004 288 N CA -0.365 52.739 53.050 0.091 0.000 0.904 288 N CB 0.926 39.487 38.487 0.123 0.000 1.165 288 N HN -0.339 nan 8.380 nan 0.000 0.513 289 R N 2.144 122.572 120.500 -0.120 0.000 2.193 289 R HA 0.054 4.394 4.340 -0.000 0.000 0.229 289 R C 0.946 177.027 176.300 -0.365 0.000 1.110 289 R CA 1.233 57.159 56.100 -0.290 0.000 0.988 289 R CB -0.308 29.745 30.300 -0.412 0.000 0.871 289 R HN 0.535 nan 8.270 nan 0.000 0.458 290 F N 0.199 120.162 119.950 0.021 0.000 2.098 290 F HA -0.042 4.485 4.527 0.000 0.000 0.294 290 F C 2.388 178.193 175.800 0.008 0.000 1.107 290 F CA 1.073 59.085 58.000 0.021 0.000 1.234 290 F CB -0.632 38.380 39.000 0.021 0.000 1.002 290 F HN 0.055 nan 8.300 nan 0.000 0.472 291 E N 1.214 121.522 120.200 0.180 0.000 2.171 291 E HA -0.231 4.118 4.350 -0.000 0.000 0.197 291 E C 2.179 178.797 176.600 0.029 0.000 0.997 291 E CA 1.259 57.708 56.400 0.082 0.000 0.810 291 E CB -0.237 29.499 29.700 0.060 0.000 0.738 291 E HN 0.341 nan 8.360 nan 0.000 0.467 292 A N 0.299 123.132 122.820 0.021 0.000 2.066 292 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 292 A C 2.219 179.830 177.584 0.044 0.000 1.157 292 A CA 0.766 52.819 52.037 0.027 0.000 0.670 292 A CB -0.148 18.850 19.000 -0.004 0.000 0.804 292 A HN 0.280 nan 8.150 nan 0.000 0.453 293 L N -2.111 119.118 121.223 0.010 0.000 2.388 293 L HA 0.174 4.514 4.340 -0.000 0.000 0.209 293 L C 2.729 179.566 176.870 -0.056 0.000 1.061 293 L CA 0.741 55.601 54.840 0.034 0.000 0.834 293 L CB -0.397 41.685 42.059 0.039 0.000 1.029 293 L HN 0.274 nan 8.230 nan 0.000 0.473 294 A N 0.348 123.152 122.820 -0.027 0.000 2.121 294 A HA 0.390 4.710 4.320 -0.000 0.000 0.218 294 A C 1.020 178.525 177.584 -0.132 0.000 1.154 294 A CA 1.181 53.203 52.037 -0.025 0.000 0.679 294 A CB -0.295 18.737 19.000 0.054 0.000 0.795 294 A HN 0.371 nan 8.150 nan 0.000 0.458 295 A N -1.652 121.011 122.820 -0.261 0.000 2.589 295 A HA 0.602 4.922 4.320 -0.000 0.000 0.296 295 A C -0.981 176.355 177.584 -0.414 0.000 1.062 295 A CA -0.605 51.255 52.037 -0.295 0.000 0.686 295 A CB 0.518 19.458 19.000 -0.100 0.000 1.282 295 A HN 0.266 nan 8.150 nan 0.000 0.404 296 H N 1.563 120.677 119.070 0.073 0.000 2.474 296 H HA 0.159 4.715 4.556 -0.000 0.000 0.250 296 H C -0.219 175.143 175.328 0.057 0.000 1.307 296 H CA -0.378 55.721 56.048 0.087 0.000 1.058 296 H CB 0.267 30.086 29.762 0.096 0.000 1.693 296 H HN 0.702 nan 8.280 nan 0.000 0.552 297 D N 1.034 121.498 120.400 0.106 0.000 2.221 297 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 297 D C 1.993 178.334 176.300 0.069 0.000 0.982 297 D CA 0.901 54.941 54.000 0.066 0.000 0.857 297 D CB 0.172 40.995 40.800 0.038 0.000 0.934 297 D HN 0.454 nan 8.370 nan 0.000 0.475 298 A N 0.435 123.316 122.820 0.102 0.000 2.119 298 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 298 A C 2.045 179.619 177.584 -0.016 0.000 1.153 298 A CA 0.530 52.601 52.037 0.056 0.000 0.692 298 A CB -0.180 18.884 19.000 0.106 0.000 0.799 298 A HN 0.111 nan 8.150 nan 0.000 0.458 299 I N -0.534 120.043 120.570 0.011 0.000 2.585 299 I HA -0.074 4.096 4.170 -0.000 0.000 0.254 299 I C 2.320 178.429 176.117 -0.014 0.000 1.129 299 I CA 0.897 62.180 61.300 -0.028 0.000 1.455 299 I CB -1.128 36.871 38.000 -0.002 0.000 1.111 299 I HN 0.123 nan 8.210 nan 0.000 0.433 300 V N 1.194 121.115 119.914 0.011 0.000 2.427 300 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 300 V C 2.506 178.599 176.094 -0.001 0.000 1.051 300 V CA 1.812 64.112 62.300 -0.001 0.000 1.048 300 V CB -0.726 31.101 31.823 0.008 0.000 0.666 300 V HN 0.466 nan 8.190 nan 0.000 0.456 301 E N -0.251 119.955 120.200 0.009 0.000 2.015 301 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 301 E C 2.373 178.979 176.600 0.011 0.000 0.991 301 E CA 1.814 58.225 56.400 0.018 0.000 0.802 301 E CB -0.361 29.360 29.700 0.034 0.000 0.759 301 E HN 0.550 nan 8.360 nan 0.000 0.447 302 C N 0.527 119.824 119.300 -0.005 0.000 2.401 302 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 302 C C 3.139 178.118 174.990 -0.019 0.000 1.233 302 C CA 1.816 60.825 59.018 -0.017 0.000 1.753 302 C CB -1.238 26.471 27.740 -0.052 0.000 2.029 302 C HN 0.610 nan 8.230 nan 0.000 0.478 303 S N -0.079 115.605 115.700 -0.027 0.000 2.382 303 S HA -0.038 4.432 4.470 -0.000 0.000 0.228 303 S C 1.976 176.562 174.600 -0.022 0.000 1.027 303 S CA 1.934 60.115 58.200 -0.031 0.000 0.991 303 S CB -0.692 62.483 63.200 -0.042 0.000 0.823 303 S HN 0.818 nan 8.310 nan 0.000 0.469 304 G N 0.214 109.006 108.800 -0.014 0.000 2.448 304 G HA2 0.035 3.995 3.960 -0.000 0.000 0.219 304 G HA3 0.035 3.995 3.960 -0.000 0.000 0.219 304 G C 1.498 176.396 174.900 -0.003 0.000 1.127 304 G CA 0.878 45.972 45.100 -0.009 0.000 0.766 304 G HN 0.660 nan 8.290 nan 0.000 0.552 305 A N 0.344 123.165 122.820 0.003 0.000 1.935 305 A HA 0.294 4.614 4.320 -0.000 0.000 0.214 305 A C 2.340 179.926 177.584 0.002 0.000 1.178 305 A CA 0.633 52.675 52.037 0.009 0.000 0.640 305 A CB -0.215 18.799 19.000 0.024 0.000 0.825 305 A HN 0.316 nan 8.150 nan 0.000 0.447 306 L N 0.033 121.253 121.223 -0.005 0.000 2.093 306 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 306 L C 2.533 179.398 176.870 -0.009 0.000 1.085 306 L CA 1.415 56.251 54.840 -0.007 0.000 0.755 306 L CB -0.627 41.424 42.059 -0.014 0.000 0.904 306 L HN 0.585 nan 8.230 nan 0.000 0.435 307 N N -0.127 118.565 118.700 -0.014 0.000 2.166 307 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 307 N C 1.581 177.082 175.510 -0.015 0.000 1.019 307 N CA 1.896 54.935 53.050 -0.019 0.000 0.856 307 N CB 0.154 38.627 38.487 -0.023 0.000 0.993 307 N HN 0.273 nan 8.380 nan 0.000 0.426 308 T N 1.582 116.131 114.554 -0.009 0.000 2.821 308 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 308 T C 1.902 176.602 174.700 0.000 0.000 1.046 308 T CA 0.513 62.610 62.100 -0.005 0.000 1.139 308 T CB -0.237 68.629 68.868 -0.003 0.000 0.871 308 T HN 0.134 nan 8.240 nan 0.000 0.454 309 L N 1.652 122.877 121.223 0.002 0.000 2.046 309 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 309 L C 2.620 179.494 176.870 0.008 0.000 1.077 309 L CA 1.763 56.607 54.840 0.007 0.000 0.747 309 L CB -1.014 41.049 42.059 0.007 0.000 0.896 309 L HN 0.229 nan 8.230 nan 0.000 0.432 310 A N -1.425 121.398 122.820 0.005 0.000 1.940 310 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 310 A C 2.389 179.994 177.584 0.035 0.000 1.176 310 A CA 1.849 53.894 52.037 0.013 0.000 0.631 310 A CB -1.466 17.534 19.000 0.000 0.000 0.814 310 A HN 0.636 nan 8.150 nan 0.000 0.446 311 C N -0.904 118.405 119.300 0.015 0.000 2.432 311 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 311 C C 3.259 178.286 174.990 0.063 0.000 1.249 311 C CA 1.273 60.305 59.018 0.023 0.000 1.725 311 C CB -1.230 26.507 27.740 -0.006 0.000 2.028 311 C HN 0.624 nan 8.230 nan 0.000 0.477 312 S N 1.086 116.807 115.700 0.035 0.000 2.370 312 S HA -0.091 4.379 4.470 -0.000 0.000 0.226 312 S C 1.658 176.261 174.600 0.004 0.000 1.033 312 S CA 1.307 59.523 58.200 0.027 0.000 1.011 312 S CB -0.362 62.850 63.200 0.021 0.000 0.852 312 S HN 0.568 nan 8.310 nan 0.000 0.457 313 L N -0.337 120.884 121.223 -0.003 0.000 2.313 313 L HA 0.034 4.374 4.340 -0.000 0.000 0.214 313 L C 2.077 178.889 176.870 -0.096 0.000 1.119 313 L CA 0.680 55.478 54.840 -0.069 0.000 0.809 313 L CB -0.351 41.663 42.059 -0.074 0.000 0.933 313 L HN 0.263 nan 8.230 nan 0.000 0.449 314 F N 0.990 120.862 119.950 -0.131 0.000 2.113 314 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 314 F C 2.658 178.384 175.800 -0.124 0.000 1.103 314 F CA 1.530 59.455 58.000 -0.125 0.000 1.248 314 F CB -0.062 38.891 39.000 -0.078 0.000 0.999 314 F HN -0.148 nan 8.300 nan 0.000 0.475 315 K N 1.112 121.558 120.400 0.076 0.000 2.063 315 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 315 K C 2.097 178.574 176.600 -0.204 0.000 1.048 315 K CA 2.102 58.384 56.287 -0.010 0.000 0.928 315 K CB -0.676 31.854 32.500 0.049 0.000 0.713 315 K HN 0.416 nan 8.250 nan 0.000 0.442 316 I N 0.957 121.343 120.570 -0.307 0.000 2.179 316 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 316 I C 2.543 178.365 176.117 -0.492 0.000 1.088 316 I CA 1.268 62.193 61.300 -0.625 0.000 1.357 316 I CB -0.405 37.268 38.000 -0.546 0.000 1.051 316 I HN 0.143 nan 8.210 nan 0.000 0.409 317 A N -0.044 122.528 122.820 -0.412 0.000 1.969 317 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 317 A C 2.245 179.628 177.584 -0.336 0.000 1.169 317 A CA 1.751 53.542 52.037 -0.410 0.000 0.635 317 A CB -0.530 18.101 19.000 -0.614 0.000 0.810 317 A HN 0.429 nan 8.150 nan 0.000 0.445 318 Q N -0.227 119.340 119.800 -0.389 0.000 2.123 318 Q HA -0.123 4.217 4.340 -0.000 0.000 0.199 318 Q C 1.380 177.368 176.000 -0.019 0.000 0.966 318 Q CA 1.614 57.265 55.803 -0.253 0.000 0.845 318 Q CB -0.110 28.463 28.738 -0.276 0.000 0.907 318 Q HN 0.580 nan 8.270 nan 0.000 0.439 319 D N 0.015 120.369 120.400 -0.077 0.000 2.087 319 D HA -0.174 4.466 4.640 -0.000 0.000 0.192 319 D C 1.743 178.050 176.300 0.012 0.000 0.993 319 D CA 1.410 55.400 54.000 -0.016 0.000 0.828 319 D CB -0.224 40.536 40.800 -0.067 0.000 0.968 319 D HN 0.315 nan 8.370 nan 0.000 0.448 320 I N 1.037 121.578 120.570 -0.048 0.000 2.194 320 I HA -0.303 3.867 4.170 -0.000 0.000 0.246 320 I C 2.491 178.638 176.117 0.050 0.000 1.093 320 I CA 1.344 62.670 61.300 0.045 0.000 1.355 320 I CB -0.328 37.705 38.000 0.055 0.000 1.046 320 I HN 0.095 nan 8.210 nan 0.000 0.413 321 R N -0.017 120.473 120.500 -0.017 0.000 2.115 321 R HA -0.159 4.181 4.340 -0.000 0.000 0.226 321 R C 2.091 178.328 176.300 -0.104 0.000 1.100 321 R CA 1.321 57.378 56.100 -0.072 0.000 0.980 321 R CB -0.759 29.443 30.300 -0.163 0.000 0.875 321 R HN 0.244 nan 8.270 nan 0.000 0.445 322 Y N 0.936 121.182 120.300 -0.091 0.000 2.206 322 Y HA -0.046 4.504 4.550 -0.000 0.000 0.292 322 Y C 2.123 177.894 175.900 -0.215 0.000 1.123 322 Y CA 0.837 58.835 58.100 -0.170 0.000 1.142 322 Y CB -0.259 38.004 38.460 -0.328 0.000 1.006 322 Y HN -0.054 nan 8.280 nan 0.000 0.518 323 L N -0.609 120.599 121.223 -0.025 0.000 2.079 323 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 323 L C 2.320 179.274 176.870 0.140 0.000 1.081 323 L CA 2.158 57.014 54.840 0.025 0.000 0.752 323 L CB -1.314 40.806 42.059 0.103 0.000 0.896 323 L HN 0.266 nan 8.230 nan 0.000 0.433 324 G N -2.095 106.786 108.800 0.134 0.000 3.042 324 G HA2 0.036 3.996 3.960 -0.000 0.000 0.212 324 G HA3 0.036 3.996 3.960 -0.000 0.000 0.212 324 G C 0.607 175.637 174.900 0.216 0.000 1.166 324 G CA 0.509 45.712 45.100 0.173 0.000 0.767 324 G HN 0.453 nan 8.290 nan 0.000 0.546 325 S N -0.537 115.279 115.700 0.192 0.000 2.585 325 S HA 0.720 5.190 4.470 -0.000 0.000 0.273 325 S C 0.555 175.225 174.600 0.117 0.000 1.339 325 S CA 0.299 58.585 58.200 0.143 0.000 1.028 325 S CB 1.894 65.183 63.200 0.148 0.000 0.906 325 S HN 1.107 nan 8.310 nan 0.000 0.528 326 G N 1.530 110.311 108.800 -0.031 0.000 2.513 326 G HA2 0.319 4.279 3.960 -0.000 0.000 0.182 326 G HA3 0.319 4.279 3.960 -0.000 0.000 0.182 326 G C -2.562 172.214 174.900 -0.207 0.000 1.190 326 G CA -0.200 44.789 45.100 -0.185 0.000 0.987 326 G HN 0.521 nan 8.290 nan 0.000 0.479 327 P HA 0.163 nan 4.420 nan 0.000 0.221 327 P C 1.652 178.785 177.300 -0.279 0.000 1.155 327 P CA 0.775 63.530 63.100 -0.576 0.000 0.812 327 P CB 0.200 31.687 31.700 -0.354 0.000 0.801 328 R N -1.073 119.350 120.500 -0.129 0.000 2.206 328 R HA 0.184 4.524 4.340 -0.000 0.000 0.198 328 R C 0.592 176.871 176.300 -0.035 0.000 0.986 328 R CA 0.557 56.625 56.100 -0.053 0.000 1.029 328 R CB -1.033 29.246 30.300 -0.034 0.000 0.966 328 R HN 0.194 nan 8.270 nan 0.000 0.487 329 C N 1.502 120.778 119.300 -0.041 0.000 2.534 329 C HA 0.706 5.166 4.460 -0.000 0.000 0.285 329 C C 0.753 175.733 174.990 -0.018 0.000 1.505 329 C CA -0.783 58.218 59.018 -0.028 0.000 1.715 329 C CB -0.155 27.573 27.740 -0.020 0.000 2.935 329 C HN 0.517 nan 8.230 nan 0.000 0.540 330 G N -1.027 107.767 108.800 -0.009 0.000 2.682 330 G HA2 0.472 4.432 3.960 -0.000 0.000 0.303 330 G HA3 0.472 4.432 3.960 -0.000 0.000 0.303 330 G C -0.396 174.538 174.900 0.057 0.000 1.341 330 G CA -0.316 44.811 45.100 0.045 0.000 0.784 330 G HN 0.062 nan 8.290 nan 0.000 0.497 331 Y N -0.798 119.578 120.300 0.127 0.000 2.163 331 Y HA -0.004 4.546 4.550 -0.000 0.000 0.288 331 Y C 1.974 177.978 175.900 0.174 0.000 1.136 331 Y CA 1.697 59.876 58.100 0.132 0.000 1.147 331 Y CB -0.387 38.156 38.460 0.138 0.000 0.987 331 Y HN 0.606 nan 8.280 nan 0.000 0.509 332 H N 0.575 119.779 119.070 0.222 0.000 2.690 332 H HA -0.192 4.364 4.556 -0.000 0.000 0.309 332 H C 1.002 176.382 175.328 0.086 0.000 1.138 332 H CA 0.454 56.572 56.048 0.118 0.000 1.142 332 H CB -1.346 28.460 29.762 0.074 0.000 1.410 332 H HN 0.577 nan 8.280 nan 0.000 0.409 333 E N -1.059 119.208 120.200 0.112 0.000 2.112 333 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 333 E C 0.277 176.811 176.600 -0.109 0.000 0.979 333 E CA 0.581 56.982 56.400 0.001 0.000 0.814 333 E CB 0.304 30.040 29.700 0.061 0.000 0.762 333 E HN 0.135 nan 8.360 nan 0.000 0.460 334 L N 0.058 121.249 121.223 -0.054 0.000 2.313 334 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 334 L C -0.227 176.602 176.870 -0.068 0.000 1.010 334 L CA -0.331 54.461 54.840 -0.081 0.000 0.814 334 L CB 1.417 43.504 42.059 0.046 0.000 1.304 334 L HN -0.053 nan 8.230 nan 0.000 0.441 335 M N 3.092 122.656 119.600 -0.059 0.000 2.085 335 M HA 0.441 4.921 4.480 -0.000 0.000 0.309 335 M C -1.083 175.244 176.300 0.045 0.000 0.947 335 M CA -0.371 54.926 55.300 -0.006 0.000 0.918 335 M CB 1.321 33.892 32.600 -0.048 0.000 1.504 335 M HN 0.274 nan 8.290 nan 0.000 0.420 336 L N 4.118 125.386 121.223 0.075 0.000 2.371 336 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 336 L C -1.999 174.903 176.870 0.053 0.000 1.124 336 L CA -1.915 52.965 54.840 0.065 0.000 0.816 336 L CB 0.301 42.403 42.059 0.070 0.000 1.129 336 L HN 0.293 nan 8.230 nan 0.000 0.448 337 P HA -0.003 nan 4.420 nan 0.000 0.269 337 P C -0.741 176.581 177.300 0.037 0.000 1.215 337 P CA -0.136 62.986 63.100 0.037 0.000 0.780 337 P CB 0.462 32.181 31.700 0.032 0.000 0.898 338 E N 1.721 121.941 120.200 0.033 0.000 2.373 338 E HA 0.057 4.407 4.350 -0.000 0.000 0.233 338 E C 0.329 176.940 176.600 0.017 0.000 1.035 338 E CA -0.268 56.147 56.400 0.025 0.000 0.930 338 E CB -0.571 29.143 29.700 0.024 0.000 1.278 338 E HN 0.318 nan 8.360 nan 0.000 0.452 339 N N 1.393 120.099 118.700 0.010 0.000 2.512 339 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 339 N C -0.138 175.354 175.510 -0.030 0.000 1.073 339 N CA 0.322 53.364 53.050 -0.013 0.000 0.911 339 N CB 0.252 38.709 38.487 -0.050 0.000 0.964 339 N HN 0.169 nan 8.380 nan 0.000 0.447 340 E N 0.803 120.993 120.200 -0.017 0.000 2.204 340 E HA 0.364 4.714 4.350 -0.000 0.000 0.276 340 E C -2.445 174.152 176.600 -0.005 0.000 0.974 340 E CA -2.603 53.788 56.400 -0.016 0.000 0.815 340 E CB 1.033 30.724 29.700 -0.014 0.000 1.119 340 E HN 0.153 nan 8.360 nan 0.000 0.393 341 P HA 0.156 nan 4.420 nan 0.000 0.270 341 P C -0.310 176.990 177.300 0.001 0.000 1.242 341 P CA -0.250 62.850 63.100 0.000 0.000 0.768 341 P CB 0.728 32.428 31.700 -0.000 0.000 0.820 342 G N 2.024 110.826 108.800 0.004 0.000 2.389 342 G HA2 0.319 4.279 3.960 -0.000 0.000 0.317 342 G HA3 0.319 4.279 3.960 -0.000 0.000 0.317 342 G C -0.393 174.509 174.900 0.003 0.000 1.137 342 G CA -0.437 44.665 45.100 0.004 0.000 0.870 342 G HN 0.494 nan 8.290 nan 0.000 0.496 343 S N 0.563 116.264 115.700 0.002 0.000 2.528 343 S HA 0.162 4.632 4.470 -0.000 0.000 0.277 343 S C 1.857 176.459 174.600 0.002 0.000 1.297 343 S CA 0.140 58.341 58.200 0.002 0.000 1.052 343 S CB 1.131 64.331 63.200 0.001 0.000 0.917 343 S HN 0.705 nan 8.310 nan 0.000 0.492 344 S N 3.986 119.688 115.700 0.003 0.000 2.400 344 S HA -0.141 4.329 4.470 -0.000 0.000 0.232 344 S C 1.707 176.309 174.600 0.003 0.000 1.025 344 S CA 1.478 59.680 58.200 0.004 0.000 0.993 344 S CB -0.489 62.713 63.200 0.004 0.000 0.808 344 S HN 0.778 nan 8.310 nan 0.000 0.478 345 I N 1.289 121.859 120.570 0.001 0.000 2.614 345 I HA 0.077 4.247 4.170 -0.000 0.000 0.258 345 I C 0.318 176.434 176.117 -0.001 0.000 1.189 345 I CA 1.063 62.364 61.300 0.000 0.000 1.462 345 I CB -0.076 37.924 38.000 -0.000 0.000 1.092 345 I HN 0.316 nan 8.210 nan 0.000 0.442 346 M N 3.307 122.906 119.600 -0.001 0.000 2.386 346 M HA 0.405 4.885 4.480 -0.000 0.000 0.245 346 M C -2.518 173.781 176.300 -0.002 0.000 0.982 346 M CA -1.633 53.664 55.300 -0.004 0.000 0.860 346 M CB 0.156 32.753 32.600 -0.005 0.000 1.371 346 M HN -0.113 nan 8.290 nan 0.000 0.425 347 P HA 0.275 nan 4.420 nan 0.000 0.276 347 P C 0.938 178.240 177.300 0.002 0.000 1.252 347 P CA 0.461 63.563 63.100 0.004 0.000 0.802 347 P CB 0.954 32.658 31.700 0.007 0.000 1.035 348 G N 0.258 109.066 108.800 0.012 0.000 2.186 348 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.266 348 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.266 348 G C 0.261 175.160 174.900 -0.001 0.000 0.982 348 G CA 0.740 45.850 45.100 0.017 0.000 0.670 348 G HN 0.777 nan 8.290 nan 0.000 0.533 349 K N -0.026 120.371 120.400 -0.006 0.000 2.234 349 K HA 0.602 4.922 4.320 -0.000 0.000 0.277 349 K C -0.583 176.018 176.600 0.002 0.000 1.038 349 K CA -0.495 55.784 56.287 -0.013 0.000 0.888 349 K CB 1.522 34.012 32.500 -0.016 0.000 1.091 349 K HN 0.512 nan 8.250 nan 0.000 0.467 350 V N 4.658 124.576 119.914 0.007 0.000 2.524 350 V HA 0.339 4.459 4.120 -0.000 0.000 0.297 350 V C -1.442 174.659 176.094 0.011 0.000 1.035 350 V CA -0.738 61.571 62.300 0.016 0.000 0.867 350 V CB 1.460 33.303 31.823 0.034 0.000 1.004 350 V HN 0.907 nan 8.190 nan 0.000 0.426 351 N N 8.318 127.020 118.700 0.004 0.000 2.488 351 N HA 0.406 5.146 4.740 -0.000 0.000 0.274 351 N C -2.457 173.056 175.510 0.006 0.000 1.111 351 N CA -1.355 51.693 53.050 -0.004 0.000 0.974 351 N CB 1.366 39.848 38.487 -0.009 0.000 1.089 351 N HN 0.599 nan 8.380 nan 0.000 0.465 352 P HA -0.001 nan 4.420 nan 0.000 0.235 352 P C 0.603 177.917 177.300 0.023 0.000 1.765 352 P CA -0.029 63.085 63.100 0.023 0.000 1.034 352 P CB -0.349 31.353 31.700 0.003 0.000 1.984 353 T N -2.308 112.261 114.554 0.026 0.000 2.962 353 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 353 T C 1.565 176.296 174.700 0.051 0.000 1.088 353 T CA 0.936 63.049 62.100 0.022 0.000 1.127 353 T CB -0.396 68.477 68.868 0.009 0.000 0.883 353 T HN 0.083 nan 8.240 nan 0.000 0.493 354 Q N 0.996 120.864 119.800 0.113 0.000 2.432 354 Q HA 0.172 4.512 4.340 -0.000 0.000 0.205 354 Q C 1.793 177.903 176.000 0.184 0.000 0.945 354 Q CA 0.491 56.422 55.803 0.213 0.000 0.924 354 Q CB -0.264 28.679 28.738 0.341 0.000 1.016 354 Q HN 0.733 nan 8.270 nan 0.000 0.503 355 N N 0.176 118.931 118.700 0.092 0.000 2.402 355 N HA -0.040 4.700 4.740 -0.000 0.000 0.174 355 N C 1.206 176.625 175.510 -0.151 0.000 1.027 355 N CA 0.364 53.363 53.050 -0.085 0.000 0.891 355 N CB 0.297 38.767 38.487 -0.030 0.000 1.016 355 N HN 0.351 nan 8.380 nan 0.000 0.439 356 E N 1.480 121.635 120.200 -0.076 0.000 2.076 356 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 356 E C 1.988 178.557 176.600 -0.052 0.000 0.979 356 E CA 0.648 57.007 56.400 -0.070 0.000 0.807 356 E CB 0.013 29.690 29.700 -0.039 0.000 0.761 356 E HN 0.271 nan 8.360 nan 0.000 0.454 357 A N 1.704 124.506 122.820 -0.031 0.000 1.930 357 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 357 A C 2.136 179.696 177.584 -0.041 0.000 1.175 357 A CA 0.680 52.709 52.037 -0.013 0.000 0.627 357 A CB -0.370 18.643 19.000 0.022 0.000 0.815 357 A HN 0.187 nan 8.150 nan 0.000 0.443 358 L N 0.747 121.901 121.223 -0.116 0.000 2.056 358 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 358 L C 2.652 179.439 176.870 -0.140 0.000 1.078 358 L CA 2.833 57.555 54.840 -0.196 0.000 0.749 358 L CB -1.441 40.318 42.059 -0.500 0.000 0.901 358 L HN 0.616 nan 8.230 nan 0.000 0.433 359 T N -3.289 111.176 114.554 -0.148 0.000 2.915 359 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 359 T C 1.752 176.513 174.700 0.102 0.000 1.071 359 T CA 0.888 62.975 62.100 -0.022 0.000 1.132 359 T CB -0.234 68.537 68.868 -0.163 0.000 0.878 359 T HN 0.422 nan 8.240 nan 0.000 0.479 360 Q N 0.376 120.196 119.800 0.033 0.000 2.123 360 Q HA 0.028 4.368 4.340 -0.000 0.000 0.199 360 Q C 2.575 178.597 176.000 0.038 0.000 0.966 360 Q CA 0.966 56.796 55.803 0.044 0.000 0.845 360 Q CB -0.309 28.443 28.738 0.023 0.000 0.907 360 Q HN 0.412 nan 8.270 nan 0.000 0.439 361 V N 0.352 120.279 119.914 0.021 0.000 2.237 361 V HA -0.326 3.794 4.120 -0.000 0.000 0.245 361 V C 2.387 178.495 176.094 0.024 0.000 1.046 361 V CA 1.610 63.920 62.300 0.017 0.000 1.007 361 V CB -0.509 31.317 31.823 0.004 0.000 0.638 361 V HN 0.518 nan 8.190 nan 0.000 0.445 362 C N -0.454 118.870 119.300 0.039 0.000 2.391 362 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 362 C C 2.721 177.727 174.990 0.027 0.000 1.217 362 C CA 1.268 60.318 59.018 0.054 0.000 1.766 362 C CB -1.063 26.762 27.740 0.142 0.000 2.046 362 C HN 0.469 nan 8.230 nan 0.000 0.475 363 V N 0.175 120.111 119.914 0.037 0.000 2.343 363 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 363 V C 2.509 178.597 176.094 -0.009 0.000 1.051 363 V CA 2.220 64.513 62.300 -0.013 0.000 1.036 363 V CB -0.883 30.943 31.823 0.005 0.000 0.654 363 V HN 0.488 nan 8.190 nan 0.000 0.451 364 Q N 0.288 120.093 119.800 0.008 0.000 2.112 364 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 364 Q C 2.028 178.025 176.000 -0.004 0.000 0.987 364 Q CA 2.257 58.064 55.803 0.007 0.000 0.858 364 Q CB -0.629 28.117 28.738 0.014 0.000 0.905 364 Q HN 0.501 nan 8.270 nan 0.000 0.420 365 V N 0.013 119.922 119.914 -0.008 0.000 2.427 365 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 365 V C 2.234 178.310 176.094 -0.030 0.000 1.051 365 V CA 1.934 64.224 62.300 -0.017 0.000 1.048 365 V CB -0.560 31.255 31.823 -0.013 0.000 0.666 365 V HN 0.437 nan 8.190 nan 0.000 0.456 366 M N 0.325 119.905 119.600 -0.034 0.000 2.159 366 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 366 M C 2.271 178.549 176.300 -0.037 0.000 1.063 366 M CA 2.137 57.412 55.300 -0.043 0.000 1.110 366 M CB -0.843 31.719 32.600 -0.062 0.000 1.374 366 M HN 0.489 nan 8.290 nan 0.000 0.411 367 G N 0.232 109.016 108.800 -0.027 0.000 2.394 367 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 367 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 367 G C 1.286 176.158 174.900 -0.047 0.000 1.165 367 G CA 0.677 45.765 45.100 -0.019 0.000 0.784 367 G HN 0.340 nan 8.290 nan 0.000 0.535 368 N N 0.743 119.417 118.700 -0.042 0.000 2.104 368 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 368 N C 1.934 177.383 175.510 -0.103 0.000 1.024 368 N CA 1.026 54.043 53.050 -0.056 0.000 0.853 368 N CB -0.617 37.850 38.487 -0.033 0.000 1.008 368 N HN 0.498 nan 8.380 nan 0.000 0.424 369 N N 0.340 118.984 118.700 -0.094 0.000 2.166 369 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 369 N C 1.582 176.972 175.510 -0.200 0.000 1.019 369 N CA 0.948 53.930 53.050 -0.112 0.000 0.856 369 N CB 0.047 38.492 38.487 -0.070 0.000 0.993 369 N HN 0.186 nan 8.380 nan 0.000 0.426 370 A N 1.183 123.879 122.820 -0.207 0.000 1.865 370 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 370 A C 2.368 179.322 177.584 -1.051 0.000 1.191 370 A CA 1.908 53.734 52.037 -0.351 0.000 0.623 370 A CB -1.130 17.838 19.000 -0.053 0.000 0.826 370 A HN 0.469 nan 8.150 nan 0.000 0.444 371 A N -0.378 122.052 122.820 -0.650 0.000 1.978 371 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 371 A C 2.092 179.354 177.584 -0.536 0.000 1.170 371 A CA 1.617 53.286 52.037 -0.612 0.000 0.636 371 A CB -0.624 18.261 19.000 -0.191 0.000 0.810 371 A HN 0.536 nan 8.150 nan 0.000 0.448 372 I N -0.169 120.176 120.570 -0.376 0.000 2.439 372 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 372 I C 2.825 178.810 176.117 -0.219 0.000 1.139 372 I CA 1.651 62.820 61.300 -0.218 0.000 1.438 372 I CB -0.357 37.566 38.000 -0.129 0.000 1.085 372 I HN 0.561 nan 8.210 nan 0.000 0.427 373 T N -0.293 114.077 114.554 -0.306 0.000 2.857 373 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 373 T C 1.737 176.443 174.700 0.010 0.000 1.048 373 T CA 0.847 62.877 62.100 -0.117 0.000 1.139 373 T CB -0.388 68.472 68.868 -0.014 0.000 0.874 373 T HN 0.111 nan 8.240 nan 0.000 0.455 374 F N 2.738 122.646 119.950 -0.070 0.000 2.113 374 F HA 0.340 4.867 4.527 -0.000 0.000 0.297 374 F C 3.102 178.767 175.800 -0.225 0.000 1.103 374 F CA -0.083 57.847 58.000 -0.117 0.000 1.248 374 F CB -1.786 37.160 39.000 -0.090 0.000 0.999 374 F HN 0.327 nan 8.300 nan 0.000 0.475 375 A N 0.668 123.413 122.820 -0.125 0.000 1.978 375 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 375 A C 2.560 179.996 177.584 -0.247 0.000 1.170 375 A CA 1.757 53.592 52.037 -0.336 0.000 0.636 375 A CB -1.607 17.348 19.000 -0.076 0.000 0.810 375 A HN 0.426 nan 8.150 nan 0.000 0.448 376 G N -0.548 108.190 108.800 -0.103 0.000 2.509 376 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.218 376 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.218 376 G C 1.605 176.470 174.900 -0.058 0.000 1.124 376 G CA 1.461 46.535 45.100 -0.043 0.000 0.776 376 G HN 0.867 nan 8.290 nan 0.000 0.547 377 S N -1.028 114.622 115.700 -0.084 0.000 2.524 377 S HA 0.139 4.609 4.470 -0.000 0.000 0.215 377 S C 1.499 176.022 174.600 -0.128 0.000 0.986 377 S CA -0.112 58.043 58.200 -0.075 0.000 0.911 377 S CB 0.249 63.426 63.200 -0.037 0.000 0.805 377 S HN 0.165 nan 8.310 nan 0.000 0.501 378 Q N 2.039 121.690 119.800 -0.248 0.000 2.282 378 Q HA 0.307 4.647 4.340 -0.000 0.000 0.205 378 Q C 0.827 176.771 176.000 -0.094 0.000 0.915 378 Q CA 0.036 55.656 55.803 -0.304 0.000 0.949 378 Q CB -0.231 28.021 28.738 -0.811 0.000 1.035 378 Q HN 0.651 nan 8.270 nan 0.000 0.484 379 G N 1.037 109.806 108.800 -0.052 0.000 2.491 379 G HA2 0.178 4.138 3.960 -0.000 0.000 0.242 379 G HA3 0.178 4.138 3.960 -0.000 0.000 0.242 379 G C -0.454 174.418 174.900 -0.048 0.000 1.266 379 G CA -0.253 44.853 45.100 0.011 0.000 0.844 379 G HN 0.199 nan 8.290 nan 0.000 0.571 380 Q N 1.143 120.917 119.800 -0.043 0.000 2.337 380 Q HA 0.462 4.802 4.340 -0.000 0.000 0.264 380 Q C -0.391 175.513 176.000 -0.160 0.000 1.007 380 Q CA -0.723 54.934 55.803 -0.243 0.000 0.727 380 Q CB 1.428 30.060 28.738 -0.177 0.000 1.256 380 Q HN 0.492 nan 8.270 nan 0.000 0.467 381 F N 0.210 120.189 119.950 0.049 0.000 2.208 381 F HA -0.418 4.109 4.527 -0.000 0.000 0.342 381 F C 1.522 177.355 175.800 0.056 0.000 1.315 381 F CA 1.709 59.735 58.000 0.044 0.000 1.018 381 F CB -1.036 37.989 39.000 0.042 0.000 3.928 381 F HN 0.482 nan 8.300 nan 0.000 0.148 382 E N 0.364 120.756 120.200 0.320 0.000 2.371 382 E HA 0.292 4.642 4.350 -0.000 0.000 0.194 382 E C -0.089 176.604 176.600 0.155 0.000 1.012 382 E CA 0.669 57.199 56.400 0.215 0.000 0.860 382 E CB 0.089 29.906 29.700 0.195 0.000 0.811 382 E HN 0.303 nan 8.360 nan 0.000 0.502 383 L N 0.340 121.647 121.223 0.141 0.000 2.445 383 L HA 0.409 4.749 4.340 -0.000 0.000 0.262 383 L C -1.525 175.402 176.870 0.095 0.000 0.974 383 L CA -0.625 54.277 54.840 0.104 0.000 0.822 383 L CB 1.967 44.089 42.059 0.105 0.000 1.339 383 L HN -0.213 nan 8.230 nan 0.000 0.409 384 N N 3.109 121.859 118.700 0.084 0.000 2.457 384 N HA 0.248 4.988 4.740 -0.000 0.000 0.250 384 N C -0.328 175.314 175.510 0.220 0.000 0.982 384 N CA -0.286 52.848 53.050 0.140 0.000 0.941 384 N CB 1.530 40.028 38.487 0.018 0.000 1.120 384 N HN 0.480 nan 8.380 nan 0.000 0.505 385 V N 1.806 121.838 119.914 0.198 0.000 3.021 385 V HA 0.425 4.545 4.120 -0.000 0.000 0.385 385 V C -0.236 175.773 176.094 -0.142 0.000 1.303 385 V CA -0.214 62.099 62.300 0.021 0.000 1.471 385 V CB -1.652 30.114 31.823 -0.095 0.000 1.419 385 V HN 0.406 nan 8.190 nan 0.000 0.551 386 F N -0.120 119.895 119.950 0.110 0.000 2.810 386 F HA 0.449 4.976 4.527 -0.000 0.000 0.353 386 F C 1.611 177.493 175.800 0.136 0.000 1.227 386 F CA -0.680 57.383 58.000 0.106 0.000 1.210 386 F CB 0.680 39.741 39.000 0.102 0.000 1.039 386 F HN 0.058 nan 8.300 nan 0.000 0.509 387 K N 0.510 121.079 120.400 0.282 0.000 1.984 387 K HA -0.056 4.264 4.320 -0.000 0.000 0.209 387 K C -0.770 175.983 176.600 0.255 0.000 1.046 387 K CA 1.385 57.844 56.287 0.286 0.000 0.934 387 K CB -1.354 31.389 32.500 0.405 0.000 0.717 387 K HN 0.132 nan 8.250 nan 0.000 0.438 388 P HA -0.217 nan 4.420 nan 0.000 0.216 388 P C 1.677 178.971 177.300 -0.009 0.000 1.157 388 P CA 1.063 64.235 63.100 0.120 0.000 0.880 388 P CB 0.043 31.688 31.700 -0.092 0.000 0.791 389 V N -1.561 118.332 119.914 -0.035 0.000 2.515 389 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 389 V C 2.153 178.258 176.094 0.017 0.000 1.058 389 V CA 1.701 63.972 62.300 -0.048 0.000 1.064 389 V CB -0.817 31.055 31.823 0.081 0.000 0.675 389 V HN 0.052 nan 8.190 nan 0.000 0.461 390 M N -1.213 118.427 119.600 0.066 0.000 2.098 390 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 390 M C 2.047 178.337 176.300 -0.016 0.000 1.072 390 M CA 1.909 57.231 55.300 0.037 0.000 1.133 390 M CB -0.357 32.292 32.600 0.082 0.000 1.344 390 M HN 0.370 nan 8.290 nan 0.000 0.414 391 I N 0.616 121.166 120.570 -0.034 0.000 2.614 391 I HA -0.119 4.051 4.170 -0.000 0.000 0.258 391 I C 2.224 178.298 176.117 -0.072 0.000 1.189 391 I CA 0.881 62.129 61.300 -0.087 0.000 1.462 391 I CB -0.495 37.404 38.000 -0.167 0.000 1.092 391 I HN 0.152 nan 8.210 nan 0.000 0.442 392 A N 0.224 123.012 122.820 -0.053 0.000 1.841 392 A HA -0.213 4.107 4.320 -0.000 0.000 0.214 392 A C 2.158 179.716 177.584 -0.044 0.000 1.195 392 A CA 2.023 54.025 52.037 -0.057 0.000 0.611 392 A CB -1.071 17.876 19.000 -0.090 0.000 0.835 392 A HN 0.496 nan 8.150 nan 0.000 0.443 393 N N -0.180 118.499 118.700 -0.036 0.000 2.205 393 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 393 N C 1.628 177.117 175.510 -0.035 0.000 1.015 393 N CA 1.096 54.130 53.050 -0.026 0.000 0.862 393 N CB -0.114 38.356 38.487 -0.027 0.000 0.986 393 N HN 0.370 nan 8.380 nan 0.000 0.429 394 L N 0.149 121.345 121.223 -0.046 0.000 2.072 394 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 394 L C 1.563 178.404 176.870 -0.049 0.000 1.079 394 L CA 1.376 56.185 54.840 -0.052 0.000 0.752 394 L CB -0.566 41.452 42.059 -0.068 0.000 0.906 394 L HN 0.201 nan 8.230 nan 0.000 0.436 395 L N 0.304 121.496 121.223 -0.053 0.000 2.109 395 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 395 L C 2.300 179.152 176.870 -0.030 0.000 1.086 395 L CA 1.218 56.030 54.840 -0.047 0.000 0.760 395 L CB -1.108 40.916 42.059 -0.059 0.000 0.910 395 L HN 0.294 nan 8.230 nan 0.000 0.437 396 N N -1.115 117.570 118.700 -0.024 0.000 2.188 396 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 396 N C 1.947 177.452 175.510 -0.007 0.000 1.018 396 N CA 1.322 54.366 53.050 -0.010 0.000 0.858 396 N CB -0.269 38.216 38.487 -0.003 0.000 0.989 396 N HN 0.211 nan 8.380 nan 0.000 0.426 397 S N 1.051 116.743 115.700 -0.014 0.000 2.355 397 S HA 0.052 4.522 4.470 -0.000 0.000 0.222 397 S C 2.087 176.682 174.600 -0.007 0.000 1.031 397 S CA 0.570 58.763 58.200 -0.011 0.000 0.993 397 S CB -0.169 63.020 63.200 -0.019 0.000 0.859 397 S HN 0.257 nan 8.310 nan 0.000 0.453 398 I N 1.415 121.977 120.570 -0.013 0.000 2.163 398 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 398 I C 2.680 178.797 176.117 -0.000 0.000 1.085 398 I CA 1.422 62.717 61.300 -0.009 0.000 1.347 398 I CB -0.334 37.655 38.000 -0.018 0.000 1.044 398 I HN 0.194 nan 8.210 nan 0.000 0.408 399 R N 1.812 122.311 120.500 -0.001 0.000 2.070 399 R HA -0.145 4.195 4.340 -0.000 0.000 0.233 399 R C 2.158 178.467 176.300 0.015 0.000 1.137 399 R CA 1.769 57.872 56.100 0.005 0.000 0.945 399 R CB -0.848 29.454 30.300 0.003 0.000 0.845 399 R HN 0.266 nan 8.270 nan 0.000 0.430 400 L N 0.053 121.285 121.223 0.015 0.000 2.012 400 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 400 L C 2.508 179.395 176.870 0.028 0.000 1.073 400 L CA 1.647 56.501 54.840 0.022 0.000 0.748 400 L CB -0.506 41.563 42.059 0.017 0.000 0.891 400 L HN 0.250 nan 8.230 nan 0.000 0.431 401 I N -0.598 119.985 120.570 0.021 0.000 2.179 401 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 401 I C 2.542 178.686 176.117 0.045 0.000 1.088 401 I CA 1.743 63.058 61.300 0.025 0.000 1.357 401 I CB -0.723 37.287 38.000 0.016 0.000 1.051 401 I HN 0.285 nan 8.210 nan 0.000 0.409 402 T N 0.096 114.676 114.554 0.043 0.000 2.684 402 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 402 T C 1.464 176.222 174.700 0.097 0.000 1.036 402 T CA 1.810 63.946 62.100 0.060 0.000 1.148 402 T CB -0.440 68.449 68.868 0.034 0.000 0.863 402 T HN 0.303 nan 8.240 nan 0.000 0.436 403 D N 1.428 121.874 120.400 0.077 0.000 2.104 403 D HA -0.000 4.640 4.640 -0.000 0.000 0.194 403 D C 2.341 178.744 176.300 0.172 0.000 0.994 403 D CA 1.353 55.415 54.000 0.104 0.000 0.830 403 D CB -0.505 40.335 40.800 0.067 0.000 0.959 403 D HN 0.424 nan 8.370 nan 0.000 0.452 404 A N 0.522 123.415 122.820 0.123 0.000 1.968 404 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 404 A C 2.226 179.904 177.584 0.157 0.000 1.169 404 A CA 1.786 53.895 52.037 0.120 0.000 0.638 404 A CB -0.677 18.350 19.000 0.045 0.000 0.812 404 A HN 0.220 nan 8.150 nan 0.000 0.446 405 A N -1.231 121.674 122.820 0.142 0.000 1.902 405 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 405 A C 2.125 179.823 177.584 0.189 0.000 1.181 405 A CA 1.632 53.763 52.037 0.158 0.000 0.623 405 A CB -0.770 18.299 19.000 0.116 0.000 0.818 405 A HN 0.751 nan 8.150 nan 0.000 0.443 406 Y N 0.322 120.668 120.300 0.076 0.000 2.109 406 Y HA -0.137 4.413 4.550 -0.000 0.000 0.285 406 Y C 2.872 178.805 175.900 0.055 0.000 1.131 406 Y CA 1.922 60.051 58.100 0.048 0.000 1.121 406 Y CB -0.674 37.805 38.460 0.031 0.000 0.987 406 Y HN 0.272 nan 8.280 nan 0.000 0.495 407 S N -0.134 115.725 115.700 0.264 0.000 2.380 407 S HA -0.268 4.202 4.470 -0.000 0.000 0.229 407 S C 1.933 176.615 174.600 0.136 0.000 1.043 407 S CA 1.758 60.091 58.200 0.222 0.000 1.038 407 S CB -0.947 62.449 63.200 0.327 0.000 0.872 407 S HN 0.572 nan 8.310 nan 0.000 0.456 408 F N 2.295 122.241 119.950 -0.008 0.000 2.186 408 F HA 0.092 4.619 4.527 -0.000 0.000 0.299 408 F C 2.342 178.098 175.800 -0.075 0.000 1.090 408 F CA 1.481 59.468 58.000 -0.023 0.000 1.307 408 F CB -0.529 38.457 39.000 -0.023 0.000 1.019 408 F HN 0.101 nan 8.300 nan 0.000 0.489 409 R N 0.023 120.434 120.500 -0.148 0.000 2.082 409 R HA -0.146 4.194 4.340 -0.000 0.000 0.228 409 R C 2.188 178.283 176.300 -0.342 0.000 1.140 409 R CA 2.331 58.271 56.100 -0.266 0.000 0.920 409 R CB -0.880 29.303 30.300 -0.196 0.000 0.828 409 R HN 0.208 nan 8.270 nan 0.000 0.430 410 V N 0.667 120.297 119.914 -0.474 0.000 2.287 410 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 410 V C 2.008 177.841 176.094 -0.436 0.000 1.053 410 V CA 1.896 63.872 62.300 -0.541 0.000 1.027 410 V CB -0.734 30.557 31.823 -0.887 0.000 0.646 410 V HN 0.466 nan 8.190 nan 0.000 0.447 411 H N -2.636 116.329 119.070 -0.176 0.000 2.539 411 H HA 0.210 4.766 4.556 -0.000 0.000 0.267 411 H C 1.399 176.659 175.328 -0.115 0.000 0.982 411 H CA 0.916 56.906 56.048 -0.097 0.000 1.146 411 H CB 0.348 30.092 29.762 -0.029 0.000 1.382 411 H HN 0.544 nan 8.280 nan 0.000 0.577 412 C N -1.279 117.929 119.300 -0.153 0.000 3.268 412 C HA 0.095 4.555 4.460 -0.000 0.000 0.170 412 C C 2.514 177.333 174.990 -0.284 0.000 2.622 412 C CA 0.345 59.215 59.018 -0.246 0.000 1.016 412 C CB -0.123 27.339 27.740 -0.462 0.000 1.252 412 C HN 0.146 nan 8.230 nan 0.000 0.707 413 V N 1.944 121.565 119.914 -0.488 0.000 2.380 413 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 413 V C 1.995 178.013 176.094 -0.127 0.000 1.063 413 V CA 2.482 64.621 62.300 -0.268 0.000 1.055 413 V CB -0.937 30.707 31.823 -0.298 0.000 0.657 413 V HN 0.641 nan 8.190 nan 0.000 0.455 414 E N -0.085 120.019 120.200 -0.160 0.000 2.533 414 E HA 0.014 4.364 4.350 -0.000 0.000 0.201 414 E C 1.589 178.150 176.600 -0.066 0.000 1.097 414 E CA 0.585 56.919 56.400 -0.111 0.000 0.887 414 E CB -0.087 29.528 29.700 -0.142 0.000 0.855 414 E HN 0.671 nan 8.360 nan 0.000 0.540 415 G N 0.231 109.007 108.800 -0.041 0.000 4.162 415 G HA2 0.148 4.108 3.960 -0.000 0.000 0.252 415 G HA3 0.148 4.108 3.960 -0.000 0.000 0.252 415 G C 0.257 175.181 174.900 0.040 0.000 1.064 415 G CA -0.480 44.619 45.100 -0.002 0.000 0.850 415 G HN 0.005 nan 8.290 nan 0.000 0.454 416 I N 2.054 122.667 120.570 0.072 0.000 2.692 416 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 416 I C 0.322 176.567 176.117 0.214 0.000 1.159 416 I CA 0.347 61.732 61.300 0.142 0.000 1.423 416 I CB 1.033 39.172 38.000 0.233 0.000 1.380 416 I HN 0.156 nan 8.210 nan 0.000 0.580 417 K N 5.475 125.947 120.400 0.120 0.000 2.464 417 K HA 0.803 5.123 4.320 -0.000 0.000 0.253 417 K C -1.301 175.195 176.600 -0.174 0.000 0.933 417 K CA -0.958 55.370 56.287 0.069 0.000 0.801 417 K CB 1.899 34.429 32.500 0.051 0.000 1.271 417 K HN 0.500 nan 8.250 nan 0.000 0.430 418 A N 1.620 124.194 122.820 -0.410 0.000 2.371 418 A HA 0.177 4.497 4.320 -0.000 0.000 0.257 418 A C -0.436 176.982 177.584 -0.276 0.000 1.089 418 A CA -0.630 51.097 52.037 -0.516 0.000 0.794 418 A CB -0.045 18.471 19.000 -0.806 0.000 1.029 418 A HN 0.948 nan 8.150 nan 0.000 0.488 419 N N 1.387 119.932 118.700 -0.259 0.000 3.105 419 N HA 0.121 4.861 4.740 -0.000 0.000 0.256 419 N C 0.619 176.044 175.510 -0.142 0.000 1.174 419 N CA -0.221 52.708 53.050 -0.201 0.000 1.030 419 N CB 0.126 38.438 38.487 -0.293 0.000 1.305 419 N HN 0.756 nan 8.380 nan 0.000 0.509 420 E N 0.661 120.792 120.200 -0.115 0.000 2.114 420 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 420 E C -0.911 175.682 176.600 -0.011 0.000 1.008 420 E CA 1.307 57.667 56.400 -0.067 0.000 0.810 420 E CB -0.546 29.131 29.700 -0.038 0.000 0.739 420 E HN 0.602 nan 8.360 nan 0.000 0.456 421 P HA -0.144 nan 4.420 nan 0.000 0.217 421 P C 1.246 178.577 177.300 0.052 0.000 1.150 421 P CA 1.165 64.281 63.100 0.028 0.000 0.832 421 P CB 0.075 31.780 31.700 0.008 0.000 0.787 422 R N 0.278 120.785 120.500 0.013 0.000 2.066 422 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 422 R C 2.135 178.452 176.300 0.029 0.000 1.131 422 R CA 1.483 57.596 56.100 0.022 0.000 0.955 422 R CB -1.514 28.783 30.300 -0.004 0.000 0.851 422 R HN 0.080 nan 8.270 nan 0.000 0.432 423 I N -0.121 120.455 120.570 0.009 0.000 2.118 423 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 423 I C 2.313 178.453 176.117 0.038 0.000 1.070 423 I CA 2.054 63.361 61.300 0.011 0.000 1.327 423 I CB -0.547 37.434 38.000 -0.030 0.000 1.034 423 I HN 0.383 nan 8.210 nan 0.000 0.405 424 H N 0.762 119.821 119.070 -0.018 0.000 2.387 424 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 424 H C 2.194 177.527 175.328 0.009 0.000 1.090 424 H CA 2.087 58.133 56.048 -0.003 0.000 1.332 424 H CB 0.001 29.762 29.762 -0.002 0.000 1.386 424 H HN 0.353 nan 8.280 nan 0.000 0.516 425 E N 0.248 120.473 120.200 0.043 0.000 2.038 425 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 425 E C 2.121 178.693 176.600 -0.046 0.000 1.000 425 E CA 1.597 57.999 56.400 0.004 0.000 0.803 425 E CB -0.189 29.537 29.700 0.042 0.000 0.750 425 E HN 0.577 nan 8.360 nan 0.000 0.448 426 L N 0.625 121.835 121.223 -0.023 0.000 2.201 426 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 426 L C 2.618 179.464 176.870 -0.041 0.000 1.105 426 L CA 0.460 55.289 54.840 -0.017 0.000 0.775 426 L CB -0.235 41.832 42.059 0.013 0.000 0.913 426 L HN 0.271 nan 8.230 nan 0.000 0.440 427 L N -0.408 120.761 121.223 -0.089 0.000 2.056 427 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 427 L C 2.783 179.591 176.870 -0.103 0.000 1.078 427 L CA 1.947 56.730 54.840 -0.096 0.000 0.749 427 L CB -0.621 41.359 42.059 -0.132 0.000 0.901 427 L HN 0.452 nan 8.230 nan 0.000 0.433 428 T N -4.004 110.438 114.554 -0.187 0.000 3.023 428 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 428 T C 1.750 176.428 174.700 -0.036 0.000 1.093 428 T CA 0.430 62.462 62.100 -0.113 0.000 1.129 428 T CB -0.088 68.683 68.868 -0.163 0.000 0.899 428 T HN 0.213 nan 8.240 nan 0.000 0.491 429 K N 2.005 122.382 120.400 -0.039 0.000 2.288 429 K HA 0.056 4.376 4.320 -0.000 0.000 0.201 429 K C 1.307 177.912 176.600 0.009 0.000 1.048 429 K CA 0.659 56.940 56.287 -0.011 0.000 0.956 429 K CB -0.074 32.419 32.500 -0.012 0.000 0.746 429 K HN 0.580 nan 8.250 nan 0.000 0.461 430 S N 0.685 116.391 115.700 0.010 0.000 2.580 430 S HA 0.122 4.592 4.470 -0.000 0.000 0.274 430 S C 0.853 175.477 174.600 0.039 0.000 1.329 430 S CA -0.637 57.579 58.200 0.026 0.000 1.036 430 S CB 0.856 64.069 63.200 0.022 0.000 0.919 430 S HN -0.025 nan 8.310 nan 0.000 0.515 431 L N 1.669 122.918 121.223 0.044 0.000 2.592 431 L HA 0.217 4.557 4.340 -0.000 0.000 0.227 431 L C 1.823 178.715 176.870 0.037 0.000 1.127 431 L CA 0.446 55.314 54.840 0.047 0.000 0.884 431 L CB -1.499 40.586 42.059 0.042 0.000 1.065 431 L HN 0.704 nan 8.230 nan 0.000 0.457 432 M N -0.284 119.335 119.600 0.032 0.000 2.296 432 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 432 M C 1.613 177.931 176.300 0.029 0.000 1.064 432 M CA 1.093 56.410 55.300 0.028 0.000 1.109 432 M CB -0.556 32.061 32.600 0.027 0.000 1.396 432 M HN 0.192 nan 8.290 nan 0.000 0.430 433 L N -0.080 121.162 121.223 0.033 0.000 2.747 433 L HA 0.009 4.349 4.340 -0.000 0.000 0.248 433 L C 1.901 178.792 176.870 0.034 0.000 1.191 433 L CA -0.315 54.540 54.840 0.025 0.000 1.003 433 L CB -0.554 41.513 42.059 0.015 0.000 1.235 433 L HN 0.034 nan 8.230 nan 0.000 0.426 434 V N -0.232 119.708 119.914 0.042 0.000 3.052 434 V HA -0.149 3.971 4.120 -0.000 0.000 0.254 434 V C 2.435 178.549 176.094 0.032 0.000 1.100 434 V CA 1.856 64.186 62.300 0.050 0.000 1.112 434 V CB 0.172 32.016 31.823 0.036 0.000 0.738 434 V HN 0.734 nan 8.190 nan 0.000 0.469 435 T N -2.123 112.447 114.554 0.025 0.000 3.113 435 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 435 T C 1.694 176.399 174.700 0.008 0.000 1.143 435 T CA 1.146 63.260 62.100 0.024 0.000 1.090 435 T CB -0.108 68.778 68.868 0.029 0.000 0.922 435 T HN 0.497 nan 8.240 nan 0.000 0.521 436 A N 1.131 123.952 122.820 0.002 0.000 1.929 436 A HA 0.267 4.587 4.320 -0.000 0.000 0.216 436 A C 2.125 179.691 177.584 -0.030 0.000 1.176 436 A CA 0.814 52.844 52.037 -0.012 0.000 0.628 436 A CB -0.537 18.448 19.000 -0.025 0.000 0.816 436 A HN 0.473 nan 8.150 nan 0.000 0.444 437 L N 0.132 121.353 121.223 -0.003 0.000 2.072 437 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 437 L C 2.027 178.862 176.870 -0.059 0.000 1.079 437 L CA 1.752 56.594 54.840 0.005 0.000 0.752 437 L CB -1.451 40.667 42.059 0.099 0.000 0.906 437 L HN 0.599 nan 8.230 nan 0.000 0.436 438 N N 0.054 118.740 118.700 -0.023 0.000 2.161 438 N HA -0.244 4.496 4.740 -0.000 0.000 0.199 438 N C -0.851 174.627 175.510 -0.053 0.000 0.990 438 N CA 2.673 55.717 53.050 -0.009 0.000 0.902 438 N CB -0.757 37.748 38.487 0.030 0.000 1.074 438 N HN 0.262 nan 8.380 nan 0.000 0.556 439 P HA -0.101 nan 4.420 nan 0.000 0.217 439 P C -0.351 176.816 177.300 -0.220 0.000 1.151 439 P CA 1.623 64.641 63.100 -0.136 0.000 0.828 439 P CB 0.039 31.654 31.700 -0.143 0.000 0.788 440 K N -0.409 119.768 120.400 -0.373 0.000 3.127 440 K HA 0.379 4.699 4.320 -0.000 0.000 0.236 440 K C 0.738 177.103 176.600 -0.390 0.000 1.271 440 K CA -0.106 55.822 56.287 -0.598 0.000 1.224 440 K CB 0.375 32.023 32.500 -1.419 0.000 1.482 440 K HN 0.156 nan 8.250 nan 0.000 0.435 441 I N -2.127 118.347 120.570 -0.159 0.000 5.170 441 I HA 0.008 4.178 4.170 -0.000 0.000 0.302 441 I C -0.805 175.310 176.117 -0.004 0.000 1.000 441 I CA 0.348 61.629 61.300 -0.032 0.000 1.617 441 I CB 0.828 38.843 38.000 0.026 0.000 2.264 441 I HN 0.434 nan 8.210 nan 0.000 0.705 442 G N 0.778 109.577 108.800 -0.002 0.000 2.742 442 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 442 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 442 G C -0.440 174.505 174.900 0.075 0.000 1.220 442 G CA 0.064 45.188 45.100 0.040 0.000 0.783 442 G HN 0.411 nan 8.290 nan 0.000 0.646 443 Y N 1.021 121.313 120.300 -0.013 0.000 2.181 443 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 443 Y C 2.324 178.225 175.900 0.002 0.000 1.179 443 Y CA 2.897 60.993 58.100 -0.006 0.000 1.179 443 Y CB 0.153 38.607 38.460 -0.010 0.000 0.973 443 Y HN 0.619 nan 8.280 nan 0.000 0.519 444 D N -0.013 120.415 120.400 0.047 0.000 2.097 444 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 444 D C 2.342 178.595 176.300 -0.079 0.000 0.984 444 D CA 1.551 55.533 54.000 -0.031 0.000 0.826 444 D CB -0.749 40.080 40.800 0.048 0.000 0.973 444 D HN 0.478 nan 8.370 nan 0.000 0.460 445 A N 1.230 124.031 122.820 -0.031 0.000 1.877 445 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 445 A C 2.330 179.891 177.584 -0.037 0.000 1.186 445 A CA 2.319 54.346 52.037 -0.016 0.000 0.620 445 A CB -0.822 18.190 19.000 0.020 0.000 0.822 445 A HN 0.233 nan 8.150 nan 0.000 0.443 446 A N -0.029 122.758 122.820 -0.056 0.000 1.972 446 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 446 A C 2.503 180.008 177.584 -0.132 0.000 1.169 446 A CA 2.392 54.393 52.037 -0.060 0.000 0.635 446 A CB -0.787 18.182 19.000 -0.052 0.000 0.810 446 A HN 0.977 nan 8.150 nan 0.000 0.446 447 S N -0.549 115.003 115.700 -0.248 0.000 2.425 447 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 447 S C 1.840 176.356 174.600 -0.140 0.000 1.024 447 S CA 1.135 59.174 58.200 -0.269 0.000 0.951 447 S CB -0.289 62.621 63.200 -0.483 0.000 0.796 447 S HN 0.565 nan 8.310 nan 0.000 0.498 448 K N 0.771 121.107 120.400 -0.107 0.000 2.097 448 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 448 K C 2.054 178.635 176.600 -0.031 0.000 1.049 448 K CA 1.421 57.676 56.287 -0.053 0.000 0.933 448 K CB -0.476 32.004 32.500 -0.034 0.000 0.717 448 K HN 0.279 nan 8.250 nan 0.000 0.442 449 V N 1.358 121.257 119.914 -0.025 0.000 2.261 449 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 449 V C 2.378 178.473 176.094 0.001 0.000 1.047 449 V CA 2.133 64.431 62.300 -0.003 0.000 1.015 449 V CB -0.760 31.080 31.823 0.028 0.000 0.642 449 V HN 0.367 nan 8.190 nan 0.000 0.446 450 A N -0.493 122.320 122.820 -0.011 0.000 1.877 450 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 450 A C 2.320 179.910 177.584 0.010 0.000 1.186 450 A CA 1.765 53.799 52.037 -0.004 0.000 0.620 450 A CB -0.457 18.520 19.000 -0.039 0.000 0.822 450 A HN 0.439 nan 8.150 nan 0.000 0.443 451 K N -0.407 119.984 120.400 -0.015 0.000 2.032 451 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 451 K C 1.969 178.601 176.600 0.053 0.000 1.048 451 K CA 1.735 58.028 56.287 0.010 0.000 0.927 451 K CB -0.465 32.025 32.500 -0.017 0.000 0.712 451 K HN 0.563 nan 8.250 nan 0.000 0.441 452 N N 0.952 119.667 118.700 0.025 0.000 2.080 452 N HA -0.126 4.614 4.740 -0.000 0.000 0.189 452 N C 1.637 177.163 175.510 0.027 0.000 1.036 452 N CA 1.793 54.855 53.050 0.020 0.000 0.846 452 N CB -0.222 38.266 38.487 0.000 0.000 1.015 452 N HN 0.134 nan 8.380 nan 0.000 0.423 453 A N -0.801 122.037 122.820 0.030 0.000 1.978 453 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 453 A C 2.147 179.762 177.584 0.051 0.000 1.170 453 A CA 1.948 54.001 52.037 0.027 0.000 0.636 453 A CB -1.146 17.869 19.000 0.026 0.000 0.810 453 A HN 0.680 nan 8.150 nan 0.000 0.448 454 H N -0.210 118.850 119.070 -0.016 0.000 2.307 454 H HA 0.020 4.576 4.556 -0.000 0.000 0.303 454 H C 1.989 177.309 175.328 -0.013 0.000 1.073 454 H CA 2.020 58.060 56.048 -0.013 0.000 1.338 454 H CB -0.058 29.697 29.762 -0.012 0.000 1.389 454 H HN 0.361 nan 8.280 nan 0.000 0.503 455 K N 0.259 120.652 120.400 -0.011 0.000 2.097 455 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 455 K C 1.960 178.510 176.600 -0.083 0.000 1.049 455 K CA 1.456 57.704 56.287 -0.065 0.000 0.933 455 K CB 0.060 32.565 32.500 0.009 0.000 0.717 455 K HN 0.384 nan 8.250 nan 0.000 0.442 456 K N -0.734 119.634 120.400 -0.055 0.000 2.314 456 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 456 K C 0.824 177.386 176.600 -0.062 0.000 1.045 456 K CA 0.675 56.932 56.287 -0.050 0.000 0.988 456 K CB 0.493 32.974 32.500 -0.032 0.000 0.783 456 K HN 0.307 nan 8.250 nan 0.000 0.484 457 G N 2.127 110.882 108.800 -0.076 0.000 2.248 457 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.263 457 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.263 457 G C -0.329 174.546 174.900 -0.041 0.000 1.082 457 G CA -0.148 44.909 45.100 -0.071 0.000 0.863 457 G HN 0.121 nan 8.290 nan 0.000 0.495 458 I N -0.576 119.976 120.570 -0.031 0.000 2.957 458 I HA 0.727 4.897 4.170 -0.000 0.000 0.310 458 I C 0.873 176.978 176.117 -0.019 0.000 1.063 458 I CA -0.554 60.730 61.300 -0.028 0.000 1.033 458 I CB 2.005 39.985 38.000 -0.034 0.000 1.230 458 I HN 0.129 nan 8.210 nan 0.000 0.447 459 T N 2.994 117.532 114.554 -0.027 0.000 2.849 459 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 459 T C 1.473 176.151 174.700 -0.035 0.000 1.004 459 T CA -0.152 61.937 62.100 -0.018 0.000 1.021 459 T CB 0.395 69.252 68.868 -0.019 0.000 1.013 459 T HN 0.431 nan 8.240 nan 0.000 0.527 460 L N 2.042 123.269 121.223 0.008 0.000 2.079 460 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 460 L C 2.787 179.524 176.870 -0.221 0.000 1.081 460 L CA 1.498 56.348 54.840 0.017 0.000 0.752 460 L CB -0.464 41.719 42.059 0.207 0.000 0.896 460 L HN 0.746 nan 8.230 nan 0.000 0.433 461 K N 0.647 120.801 120.400 -0.409 0.000 1.973 461 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 461 K C 1.950 178.263 176.600 -0.477 0.000 1.047 461 K CA 1.705 57.439 56.287 -0.922 0.000 0.937 461 K CB -0.041 32.105 32.500 -0.591 0.000 0.721 461 K HN 0.277 nan 8.250 nan 0.000 0.440 462 E N 0.168 120.216 120.200 -0.253 0.000 2.114 462 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 462 E C 2.090 178.608 176.600 -0.137 0.000 1.008 462 E CA 1.663 57.968 56.400 -0.159 0.000 0.810 462 E CB -0.165 29.477 29.700 -0.097 0.000 0.739 462 E HN 0.265 nan 8.360 nan 0.000 0.456 463 S N 0.165 115.790 115.700 -0.124 0.000 2.356 463 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 463 S C 2.122 176.670 174.600 -0.086 0.000 1.032 463 S CA 1.199 59.350 58.200 -0.081 0.000 1.005 463 S CB -0.208 62.963 63.200 -0.049 0.000 0.867 463 S HN 0.346 nan 8.310 nan 0.000 0.449 464 A N 1.375 124.117 122.820 -0.130 0.000 1.940 464 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 464 A C 2.224 179.755 177.584 -0.089 0.000 1.176 464 A CA 1.580 53.560 52.037 -0.095 0.000 0.631 464 A CB -0.780 18.141 19.000 -0.132 0.000 0.814 464 A HN 0.595 nan 8.150 nan 0.000 0.446 465 L N -0.402 120.739 121.223 -0.136 0.000 2.005 465 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 465 L C 2.673 179.506 176.870 -0.061 0.000 1.072 465 L CA 1.784 56.566 54.840 -0.097 0.000 0.744 465 L CB -0.801 41.186 42.059 -0.120 0.000 0.895 465 L HN 0.707 nan 8.230 nan 0.000 0.433 466 E N -0.026 120.138 120.200 -0.060 0.000 2.265 466 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 466 E C 0.477 177.060 176.600 -0.028 0.000 0.996 466 E CA 0.587 56.963 56.400 -0.041 0.000 0.832 466 E CB 0.021 29.697 29.700 -0.040 0.000 0.756 466 E HN 0.156 nan 8.360 nan 0.000 0.491 467 L N 0.637 121.843 121.223 -0.028 0.000 2.358 467 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 467 L C 0.786 177.651 176.870 -0.007 0.000 1.032 467 L CA -0.277 54.554 54.840 -0.015 0.000 0.805 467 L CB 1.436 43.487 42.059 -0.013 0.000 1.253 467 L HN 0.088 nan 8.230 nan 0.000 0.452 468 G N 0.482 109.284 108.800 0.003 0.000 2.865 468 G HA2 0.472 4.432 3.960 -0.000 0.000 0.292 468 G HA3 0.472 4.432 3.960 -0.000 0.000 0.292 468 G C 0.115 175.030 174.900 0.025 0.000 0.800 468 G CA -0.055 45.052 45.100 0.012 0.000 1.838 468 G HN 0.391 nan 8.290 nan 0.000 0.535 469 V N 2.472 122.406 119.914 0.033 0.000 3.914 469 V HA 0.495 4.615 4.120 -0.000 0.000 0.187 469 V C 0.685 176.836 176.094 0.095 0.000 1.258 469 V CA 0.763 63.102 62.300 0.064 0.000 1.298 469 V CB -0.476 31.385 31.823 0.063 0.000 1.453 469 V HN 0.628 nan 8.190 nan 0.000 0.553 470 L N -1.117 120.156 121.223 0.085 0.000 2.630 470 L HA 0.901 5.241 4.340 -0.000 0.000 0.249 470 L C -0.511 176.378 176.870 0.032 0.000 1.130 470 L CA -0.419 54.476 54.840 0.091 0.000 0.987 470 L CB 1.666 43.834 42.059 0.182 0.000 1.575 470 L HN 0.329 nan 8.230 nan 0.000 0.386 471 T N -4.049 110.513 114.554 0.013 0.000 2.949 471 T HA 0.339 4.689 4.350 -0.000 0.000 0.287 471 T C 0.590 175.293 174.700 0.005 0.000 1.034 471 T CA -0.003 62.089 62.100 -0.014 0.000 1.018 471 T CB 2.165 71.013 68.868 -0.033 0.000 1.135 471 T HN 0.880 nan 8.240 nan 0.000 0.532 472 E N 0.303 120.495 120.200 -0.013 0.000 2.031 472 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 472 E C 1.065 177.685 176.600 0.032 0.000 0.994 472 E CA 0.824 57.230 56.400 0.011 0.000 0.800 472 E CB 0.021 29.712 29.700 -0.015 0.000 0.752 472 E HN 0.357 nan 8.360 nan 0.000 0.447 473 K N 0.692 121.083 120.400 -0.016 0.000 2.706 473 K HA -0.025 4.295 4.320 -0.000 0.000 0.217 473 K C 0.681 177.219 176.600 -0.104 0.000 1.019 473 K CA 0.496 56.757 56.287 -0.044 0.000 1.181 473 K CB 0.258 32.730 32.500 -0.046 0.000 0.940 473 K HN 0.371 nan 8.250 nan 0.000 0.491 474 E N -1.631 118.499 120.200 -0.118 0.000 2.608 474 E HA -0.004 4.346 4.350 -0.000 0.000 0.204 474 E C 1.102 177.533 176.600 -0.281 0.000 0.884 474 E CA -0.072 56.144 56.400 -0.306 0.000 1.533 474 E CB -0.017 29.485 29.700 -0.329 0.000 1.559 474 E HN 0.094 nan 8.360 nan 0.000 0.864 475 F N 3.261 123.098 119.950 -0.188 0.000 2.126 475 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 475 F C 1.582 177.348 175.800 -0.056 0.000 1.096 475 F CA 2.283 60.241 58.000 -0.071 0.000 1.255 475 F CB 0.013 38.997 39.000 -0.027 0.000 0.997 475 F HN 0.048 nan 8.300 nan 0.000 0.479 476 D N -0.340 120.028 120.400 -0.053 0.000 2.178 476 D HA -0.173 4.467 4.640 -0.000 0.000 0.202 476 D C 1.883 178.080 176.300 -0.172 0.000 0.974 476 D CA 1.019 54.946 54.000 -0.122 0.000 0.841 476 D CB -0.523 40.255 40.800 -0.036 0.000 0.953 476 D HN 0.323 nan 8.370 nan 0.000 0.478 477 E N -0.376 119.683 120.200 -0.235 0.000 2.209 477 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 477 E C 1.271 177.792 176.600 -0.132 0.000 0.993 477 E CA 0.927 57.158 56.400 -0.282 0.000 0.819 477 E CB -0.037 29.338 29.700 -0.543 0.000 0.745 477 E HN 0.425 nan 8.360 nan 0.000 0.477 478 W N -1.758 119.468 121.300 -0.124 0.000 2.871 478 W HA 0.335 4.995 4.660 -0.000 0.000 0.267 478 W C 0.260 176.653 176.519 -0.211 0.000 1.180 478 W CA -0.311 56.958 57.345 -0.127 0.000 1.463 478 W CB -0.176 29.230 29.460 -0.091 0.000 0.966 478 W HN -0.260 nan 8.180 nan 0.000 0.605 479 V N 2.691 122.501 119.914 -0.173 0.000 2.169 479 V HA 0.306 4.426 4.120 -0.000 0.000 0.271 479 V C -0.463 175.488 176.094 -0.237 0.000 1.372 479 V CA -0.206 61.919 62.300 -0.291 0.000 1.348 479 V CB -0.168 31.257 31.823 -0.664 0.000 1.379 479 V HN -0.277 nan 8.190 nan 0.000 0.491 480 V N 8.241 128.026 119.914 -0.215 0.000 2.364 480 V HA 0.304 4.424 4.120 -0.000 0.000 0.272 480 V C -1.100 174.910 176.094 -0.140 0.000 1.036 480 V CA -1.221 60.920 62.300 -0.264 0.000 0.880 480 V CB 1.494 32.955 31.823 -0.603 0.000 0.991 480 V HN 0.570 nan 8.190 nan 0.000 0.460 481 P HA -0.208 nan 4.420 nan 0.000 0.215 481 P C 1.103 178.427 177.300 0.040 0.000 1.163 481 P CA 1.156 64.254 63.100 -0.004 0.000 0.894 481 P CB 0.116 31.823 31.700 0.013 0.000 0.791 482 E N -1.258 118.975 120.200 0.055 0.000 2.357 482 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 482 E C -0.016 176.760 176.600 0.293 0.000 1.177 482 E CA 0.696 57.174 56.400 0.131 0.000 0.998 482 E CB -1.076 28.695 29.700 0.119 0.000 1.106 482 E HN 0.450 nan 8.360 nan 0.000 0.470 483 H N 0.242 119.319 119.070 0.012 0.000 2.512 483 H HA 0.393 4.949 4.556 -0.000 0.000 0.276 483 H C -0.122 175.209 175.328 0.005 0.000 1.126 483 H CA -0.207 55.848 56.048 0.011 0.000 1.060 483 H CB 0.244 30.014 29.762 0.013 0.000 1.646 483 H HN 0.099 nan 8.280 nan 0.000 0.571 484 M N 1.192 120.856 119.600 0.108 0.000 3.124 484 M HA 0.190 4.670 4.480 -0.000 0.000 0.298 484 M C -0.778 175.545 176.300 0.038 0.000 1.403 484 M CA -0.499 54.835 55.300 0.057 0.000 0.651 484 M CB 1.062 33.692 32.600 0.050 0.000 1.412 484 M HN -0.007 nan 8.290 nan 0.000 0.477 485 L N 0.000 121.239 121.223 0.026 0.000 2.949 485 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 485 L CA 0.000 54.849 54.840 0.015 0.000 0.813 485 L CB 0.000 42.063 42.059 0.007 0.000 0.961 485 L HN 0.000 nan 8.230 nan 0.000 0.502