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 1ku0_1_B DATA FIRST_RESID 1004 DATA SEQUENCE RANDAPIVLL HGFTGWGREE MLGFKYWGGV RGDIEQWLND NGYRTYTLAV DATA SEQUENCE GPLSSNWDRA CEAYAQLVGG TVDYGAAHAA KHGHARFGRT YPGLLPELKR DATA SEQUENCE GGRVHIIAHS QGGQTARMLV SLLENGSQEE REYAKEHNVS LSPLFEGGHR DATA SEQUENCE FVLSVTTIAT PHDGTTLVNM VDFTDRFFDL QKAVLEAAAV ASNAPYTSEI DATA SEQUENCE YDFKLDQWGL RREPGESFDH YFERLKRSPV WTSTDTARYD LSVPGAETLN DATA SEQUENCE RWVKASPNTY YLSFSTERTY RGALTGNYYP ELGMNAFSAI VCAPFLGSYR DATA SEQUENCE NAALGIDSHW LGNDGIVNTI SMNGPKRGSN DRIVPYDGTL KKGVWNDMGT DATA SEQUENCE YNVDHLEVIG VDPNPSFNIR AFYLRLAEQL ASLRP 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 1004 R HA 0.000 nan 4.340 nan 0.000 0.208 1004 R C 0.000 176.301 176.300 0.002 0.000 0.893 1004 R CA 0.000 56.100 56.100 0.000 0.000 0.921 1004 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 1005 A N 3.217 126.041 122.820 0.007 0.000 2.119 1005 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 1005 A C 0.245 177.840 177.584 0.019 0.000 1.152 1005 A CA 1.380 53.422 52.037 0.009 0.000 0.708 1005 A CB -0.409 18.593 19.000 0.004 0.000 0.805 1005 A HN 0.772 nan 8.150 nan 0.000 0.460 1006 N N -1.634 117.086 118.700 0.032 0.000 2.484 1006 N HA 0.388 5.128 4.740 -0.000 0.000 0.269 1006 N C -1.378 174.167 175.510 0.058 0.000 1.237 1006 N CA -0.194 52.884 53.050 0.046 0.000 0.838 1006 N CB 0.994 39.522 38.487 0.069 0.000 1.593 1006 N HN -0.050 nan 8.380 nan 0.000 0.485 1007 D N -0.480 119.942 120.400 0.038 0.000 2.593 1007 D HA 0.303 4.943 4.640 -0.000 0.000 0.241 1007 D C -0.183 176.146 176.300 0.048 0.000 1.257 1007 D CA -0.465 53.554 54.000 0.031 0.000 0.828 1007 D CB -0.146 40.651 40.800 -0.006 0.000 1.049 1007 D HN 0.738 nan 8.370 nan 0.000 0.490 1008 A N 1.976 124.835 122.820 0.064 0.000 2.498 1008 A HA 0.437 4.757 4.320 -0.000 0.000 0.239 1008 A C -1.987 175.659 177.584 0.104 0.000 1.068 1008 A CA -0.797 51.238 52.037 -0.003 0.000 0.766 1008 A CB -0.006 18.855 19.000 -0.233 0.000 1.003 1008 A HN 0.181 nan 8.150 nan 0.000 0.497 1009 P HA 0.398 nan 4.420 nan 0.000 0.274 1009 P C -0.712 176.693 177.300 0.175 0.000 1.246 1009 P CA -0.075 63.114 63.100 0.150 0.000 0.795 1009 P CB 0.783 32.603 31.700 0.201 0.000 1.006 1010 I N 0.330 120.994 120.570 0.157 0.000 2.493 1010 I HA 0.380 4.550 4.170 -0.000 0.000 0.298 1010 I C -0.132 176.017 176.117 0.054 0.000 0.998 1010 I CA -1.102 60.258 61.300 0.100 0.000 1.137 1010 I CB 2.100 40.109 38.000 0.015 0.000 1.310 1010 I HN -0.007 nan 8.210 nan 0.000 0.445 1011 V N 6.505 126.419 119.914 0.000 0.000 2.588 1011 V HA 0.430 4.550 4.120 -0.000 0.000 0.304 1011 V C -0.236 175.762 176.094 -0.160 0.000 1.042 1011 V CA -0.590 61.687 62.300 -0.040 0.000 0.877 1011 V CB 2.130 33.944 31.823 -0.015 0.000 0.996 1011 V HN 0.446 nan 8.190 nan 0.000 0.425 1012 L N 5.437 126.486 121.223 -0.291 0.000 2.289 1012 L HA 0.624 4.964 4.340 -0.000 0.000 0.285 1012 L C -0.779 176.005 176.870 -0.143 0.000 1.049 1012 L CA -0.587 53.922 54.840 -0.551 0.000 0.804 1012 L CB 1.485 42.770 42.059 -1.289 0.000 1.195 1012 L HN 0.413 nan 8.230 nan 0.000 0.428 1013 L N 4.263 125.559 121.223 0.121 0.000 2.404 1013 L HA 0.406 4.746 4.340 -0.000 0.000 0.272 1013 L C 0.132 177.227 176.870 0.374 0.000 0.980 1013 L CA -0.254 54.706 54.840 0.200 0.000 0.836 1013 L CB 0.927 43.024 42.059 0.063 0.000 1.238 1013 L HN 0.570 nan 8.230 nan 0.000 0.408 1014 H N 2.505 121.654 119.070 0.132 0.000 2.598 1014 H HA 0.598 5.154 4.556 -0.000 0.000 0.371 1014 H C -0.081 175.166 175.328 -0.135 0.000 1.468 1014 H CA -0.195 55.678 56.048 -0.293 0.000 1.454 1014 H CB 0.503 29.542 29.762 -1.205 0.000 1.579 1014 H HN 0.654 nan 8.280 nan 0.000 0.611 1015 G N -0.681 108.085 108.800 -0.058 0.000 3.075 1015 G HA2 0.218 4.178 3.960 -0.000 0.000 0.156 1015 G HA3 0.218 4.178 3.960 -0.000 0.000 0.156 1015 G C 0.153 175.121 174.900 0.114 0.000 1.403 1015 G CA -0.206 44.860 45.100 -0.056 0.000 1.033 1015 G HN 0.639 nan 8.290 nan 0.000 0.589 1016 F N -0.092 120.017 119.950 0.265 0.000 2.805 1016 F HA 0.409 4.936 4.527 -0.000 0.000 0.301 1016 F C 0.615 176.608 175.800 0.323 0.000 1.196 1016 F CA -0.147 58.053 58.000 0.333 0.000 1.439 1016 F CB -0.723 38.538 39.000 0.434 0.000 1.117 1016 F HN 0.240 nan 8.300 nan 0.000 0.581 1017 T N -0.264 114.453 114.554 0.272 0.000 2.933 1017 T HA 0.718 5.068 4.350 -0.000 0.000 0.305 1017 T C -0.628 173.994 174.700 -0.129 0.000 1.092 1017 T CA -0.061 62.216 62.100 0.296 0.000 1.008 1017 T CB 1.328 70.418 68.868 0.370 0.000 1.102 1017 T HN 0.724 nan 8.240 nan 0.000 0.469 1018 G N 2.324 110.894 108.800 -0.383 0.000 2.376 1018 G HA2 0.483 4.443 3.960 -0.000 0.000 0.302 1018 G HA3 0.483 4.443 3.960 -0.000 0.000 0.302 1018 G C -2.242 172.066 174.900 -0.988 0.000 1.586 1018 G CA -0.260 43.900 45.100 -1.567 0.000 0.907 1018 G HN 1.018 nan 8.290 nan 0.000 0.655 1019 W N -0.243 120.606 121.300 -0.751 0.000 3.066 1019 W HA 0.776 5.436 4.660 -0.000 0.000 0.330 1019 W C 0.372 176.765 176.519 -0.211 0.000 1.253 1019 W CA -1.095 55.987 57.345 -0.437 0.000 1.187 1019 W CB 0.494 29.615 29.460 -0.565 0.000 1.434 1019 W HN 1.223 nan 8.180 nan 0.000 0.572 1020 G N 0.885 109.764 108.800 0.131 0.000 2.606 1020 G HA2 0.267 4.227 3.960 -0.000 0.000 0.252 1020 G HA3 0.267 4.227 3.960 -0.000 0.000 0.252 1020 G C 0.466 175.462 174.900 0.161 0.000 1.206 1020 G CA -0.839 44.328 45.100 0.113 0.000 0.861 1020 G HN 0.711 nan 8.290 nan 0.000 0.561 1021 R N -0.404 120.156 120.500 0.100 0.000 2.200 1021 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 1021 R C 1.710 178.069 176.300 0.098 0.000 1.127 1021 R CA 1.068 57.220 56.100 0.087 0.000 0.989 1021 R CB 0.149 30.470 30.300 0.035 0.000 0.869 1021 R HN 0.483 nan 8.270 nan 0.000 0.459 1022 E N 0.588 120.847 120.200 0.098 0.000 2.442 1022 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 1022 E C 0.103 176.746 176.600 0.070 0.000 1.030 1022 E CA 0.404 56.849 56.400 0.075 0.000 0.869 1022 E CB 0.307 30.047 29.700 0.067 0.000 0.857 1022 E HN 0.469 nan 8.360 nan 0.000 0.505 1023 E N 0.331 120.594 120.200 0.105 0.000 2.322 1023 E HA 0.178 4.528 4.350 -0.000 0.000 0.257 1023 E C 0.487 177.022 176.600 -0.108 0.000 1.155 1023 E CA -0.608 55.808 56.400 0.028 0.000 0.936 1023 E CB 0.563 30.304 29.700 0.069 0.000 1.130 1023 E HN -0.171 nan 8.360 nan 0.000 0.465 1024 M N 0.764 120.174 119.600 -0.317 0.000 2.302 1024 M HA -0.242 4.237 4.480 -0.000 0.000 0.200 1024 M C -0.152 176.026 176.300 -0.203 0.000 0.366 1024 M CA 0.730 55.748 55.300 -0.471 0.000 0.440 1024 M CB -1.888 30.070 32.600 -1.069 0.000 1.475 1024 M HN 0.739 nan 8.290 nan 0.000 0.905 1025 L N -2.221 118.928 121.223 -0.124 0.000 4.179 1025 L HA -0.334 4.006 4.340 -0.000 0.000 0.418 1025 L C 1.195 178.074 176.870 0.015 0.000 1.168 1025 L CA 0.885 55.692 54.840 -0.055 0.000 0.972 1025 L CB -2.783 39.230 42.059 -0.075 0.000 2.005 1025 L HN 0.928 nan 8.230 nan 0.000 0.935 1026 G N -0.939 107.885 108.800 0.041 0.000 2.176 1026 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.253 1026 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.253 1026 G C 0.048 175.025 174.900 0.128 0.000 0.979 1026 G CA 0.175 45.320 45.100 0.075 0.000 0.641 1026 G HN 0.417 nan 8.290 nan 0.000 0.530 1027 F N 3.411 123.365 119.950 0.007 0.000 2.502 1027 F HA 0.511 5.038 4.527 -0.000 0.000 0.371 1027 F C 0.753 176.696 175.800 0.239 0.000 1.083 1027 F CA -0.704 57.327 58.000 0.052 0.000 1.174 1027 F CB 0.513 39.498 39.000 -0.026 0.000 1.096 1027 F HN -0.102 nan 8.300 nan 0.000 0.545 1028 K N 7.288 127.524 120.400 -0.273 0.000 2.339 1028 K HA -0.051 4.269 4.320 -0.000 0.000 0.286 1028 K C 0.509 176.914 176.600 -0.324 0.000 1.050 1028 K CA -0.135 56.041 56.287 -0.183 0.000 0.956 1028 K CB 0.516 32.863 32.500 -0.254 0.000 0.990 1028 K HN 0.827 nan 8.250 nan 0.000 0.475 1029 Y N 2.053 122.056 120.300 -0.495 0.000 2.145 1029 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 1029 Y C 0.089 175.532 175.900 -0.762 0.000 1.145 1029 Y CA 1.358 58.932 58.100 -0.876 0.000 1.148 1029 Y CB 0.171 37.768 38.460 -1.439 0.000 0.981 1029 Y HN 0.536 nan 8.280 nan 0.000 0.507 1030 W N 1.352 122.423 121.300 -0.381 0.000 2.247 1030 W HA 0.437 5.097 4.660 -0.000 0.000 0.394 1030 W C 0.814 176.993 176.519 -0.566 0.000 0.939 1030 W CA 0.683 57.745 57.345 -0.471 0.000 1.548 1030 W CB 0.677 29.916 29.460 -0.368 0.000 1.610 1030 W HN 0.400 nan 8.180 nan 0.000 0.336 1031 G N 0.441 108.972 108.800 -0.447 0.000 3.134 1031 G HA2 0.028 3.988 3.960 -0.000 0.000 0.195 1031 G HA3 0.028 3.988 3.960 -0.000 0.000 0.195 1031 G C 1.006 175.664 174.900 -0.402 0.000 1.054 1031 G CA -0.146 44.684 45.100 -0.449 0.000 0.828 1031 G HN 1.067 nan 8.290 nan 0.000 0.462 1032 G N -0.364 108.082 108.800 -0.590 0.000 2.685 1032 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.329 1032 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.329 1032 G C 1.498 176.119 174.900 -0.465 0.000 1.271 1032 G CA 2.609 47.250 45.100 -0.766 0.000 1.003 1032 G HN 1.681 nan 8.290 nan 0.000 0.549 1033 V N 2.104 121.987 119.914 -0.052 0.000 3.623 1033 V HA 0.167 4.287 4.120 -0.000 0.000 0.271 1033 V C 2.521 178.648 176.094 0.055 0.000 1.248 1033 V CA 1.970 64.328 62.300 0.096 0.000 1.156 1033 V CB -0.387 31.545 31.823 0.180 0.000 0.870 1033 V HN 0.550 nan 8.190 nan 0.000 0.453 1034 R N 0.367 120.881 120.500 0.024 0.000 2.223 1034 R HA 0.404 4.743 4.340 -0.000 0.000 0.198 1034 R C 0.994 177.409 176.300 0.191 0.000 0.984 1034 R CA 0.897 57.069 56.100 0.120 0.000 1.018 1034 R CB 0.278 30.682 30.300 0.174 0.000 0.945 1034 R HN 0.589 nan 8.270 nan 0.000 0.479 1035 G N 0.222 109.018 108.800 -0.006 0.000 2.347 1035 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.224 1035 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.224 1035 G C -1.854 172.768 174.900 -0.462 0.000 1.318 1035 G CA -0.328 44.730 45.100 -0.070 0.000 1.016 1035 G HN 0.073 nan 8.290 nan 0.000 0.469 1036 D N 0.437 120.355 120.400 -0.802 0.000 2.420 1036 D HA 0.526 5.166 4.640 -0.000 0.000 0.255 1036 D C 1.567 177.039 176.300 -1.380 0.000 1.185 1036 D CA -0.623 52.879 54.000 -0.830 0.000 0.904 1036 D CB 0.769 41.288 40.800 -0.468 0.000 1.102 1036 D HN 0.346 nan 8.370 nan 0.000 0.534 1037 I N 1.950 121.798 120.570 -1.204 0.000 2.208 1037 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 1037 I C 2.241 178.036 176.117 -0.537 0.000 1.097 1037 I CA 0.910 61.629 61.300 -0.968 0.000 1.363 1037 I CB 0.060 37.648 38.000 -0.687 0.000 1.051 1037 I HN 0.512 nan 8.210 nan 0.000 0.413 1038 E N 0.636 120.568 120.200 -0.447 0.000 2.085 1038 E HA -0.329 4.021 4.350 -0.000 0.000 0.194 1038 E C 2.168 178.625 176.600 -0.239 0.000 0.994 1038 E CA 1.499 57.709 56.400 -0.318 0.000 0.801 1038 E CB 0.042 29.573 29.700 -0.281 0.000 0.743 1038 E HN 0.331 nan 8.360 nan 0.000 0.453 1039 Q N 0.056 119.688 119.800 -0.281 0.000 2.050 1039 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 1039 Q C 1.717 177.728 176.000 0.018 0.000 0.980 1039 Q CA 2.085 57.797 55.803 -0.152 0.000 0.840 1039 Q CB -0.452 28.184 28.738 -0.169 0.000 0.898 1039 Q HN 0.405 nan 8.270 nan 0.000 0.424 1040 W N 0.497 121.752 121.300 -0.074 0.000 2.317 1040 W HA -0.175 4.485 4.660 -0.000 0.000 0.318 1040 W C 2.037 178.541 176.519 -0.025 0.000 1.227 1040 W CA 0.788 58.103 57.345 -0.050 0.000 1.269 1040 W CB -1.323 28.102 29.460 -0.057 0.000 1.155 1040 W HN 0.236 nan 8.180 nan 0.000 0.484 1041 L N 0.269 121.604 121.223 0.186 0.000 1.989 1041 L HA -0.275 4.065 4.340 -0.000 0.000 0.211 1041 L C 2.369 179.335 176.870 0.160 0.000 1.071 1041 L CA 1.544 56.471 54.840 0.145 0.000 0.749 1041 L CB -1.170 40.897 42.059 0.014 0.000 0.890 1041 L HN 0.008 nan 8.230 nan 0.000 0.431 1042 N N 0.107 118.829 118.700 0.037 0.000 2.104 1042 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 1042 N C 1.424 176.941 175.510 0.012 0.000 1.024 1042 N CA 1.576 54.617 53.050 -0.015 0.000 0.853 1042 N CB -0.398 38.036 38.487 -0.089 0.000 1.008 1042 N HN 0.327 nan 8.380 nan 0.000 0.424 1043 D N 0.636 121.064 120.400 0.047 0.000 2.263 1043 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 1043 D C 0.805 177.131 176.300 0.043 0.000 0.971 1043 D CA 0.717 54.744 54.000 0.045 0.000 0.867 1043 D CB -0.262 40.585 40.800 0.078 0.000 0.929 1043 D HN 0.263 nan 8.370 nan 0.000 0.492 1044 N N -0.478 118.278 118.700 0.093 0.000 2.268 1044 N HA 0.125 4.864 4.740 -0.000 0.000 0.204 1044 N C 0.985 176.461 175.510 -0.056 0.000 1.124 1044 N CA 0.532 53.641 53.050 0.098 0.000 0.838 1044 N CB 1.398 40.034 38.487 0.249 0.000 0.994 1044 N HN 0.174 nan 8.380 nan 0.000 0.489 1045 G N 0.630 109.361 108.800 -0.115 0.000 2.141 1045 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.231 1045 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.231 1045 G C -0.590 174.042 174.900 -0.447 0.000 0.984 1045 G CA -0.263 44.661 45.100 -0.293 0.000 0.660 1045 G HN 0.366 nan 8.290 nan 0.000 0.525 1046 Y N 0.465 120.736 120.300 -0.049 0.000 2.478 1046 Y HA 0.560 5.110 4.550 -0.000 0.000 0.329 1046 Y C 0.978 176.825 175.900 -0.089 0.000 0.967 1046 Y CA -1.003 57.063 58.100 -0.056 0.000 1.255 1046 Y CB 0.947 39.373 38.460 -0.057 0.000 1.103 1046 Y HN 0.134 nan 8.280 nan 0.000 0.497 1047 R N 2.496 123.000 120.500 0.006 0.000 2.446 1047 R HA 0.149 4.489 4.340 -0.000 0.000 0.314 1047 R C -0.001 176.221 176.300 -0.130 0.000 1.003 1047 R CA 0.373 56.415 56.100 -0.097 0.000 1.018 1047 R CB 0.190 30.470 30.300 -0.035 0.000 0.945 1047 R HN 0.743 nan 8.270 nan 0.000 0.419 1048 T N 1.691 116.050 114.554 -0.325 0.000 2.909 1048 T HA 0.490 4.840 4.350 -0.000 0.000 0.299 1048 T C -1.158 173.224 174.700 -0.531 0.000 1.073 1048 T CA -0.699 61.230 62.100 -0.284 0.000 0.999 1048 T CB 1.051 69.803 68.868 -0.192 0.000 1.098 1048 T HN 0.381 nan 8.240 nan 0.000 0.477 1049 Y N 0.271 120.496 120.300 -0.124 0.000 2.630 1049 Y HA 0.697 5.247 4.550 -0.000 0.000 0.337 1049 Y C 0.579 176.379 175.900 -0.166 0.000 1.051 1049 Y CA -1.036 56.990 58.100 -0.123 0.000 1.121 1049 Y CB 2.317 40.719 38.460 -0.097 0.000 1.299 1049 Y HN 0.679 nan 8.280 nan 0.000 0.498 1050 T N 2.927 117.500 114.554 0.032 0.000 2.809 1050 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 1050 T C -0.531 174.175 174.700 0.009 0.000 0.992 1050 T CA -0.664 61.411 62.100 -0.041 0.000 0.957 1050 T CB 0.337 69.177 68.868 -0.046 0.000 0.942 1050 T HN 0.318 nan 8.240 nan 0.000 0.439 1051 L N 2.193 123.419 121.223 0.005 0.000 2.399 1051 L HA 0.830 5.170 4.340 -0.000 0.000 0.265 1051 L C 0.277 177.203 176.870 0.093 0.000 1.089 1051 L CA -0.970 53.873 54.840 0.005 0.000 0.802 1051 L CB 1.016 43.057 42.059 -0.031 0.000 1.180 1051 L HN 0.696 nan 8.230 nan 0.000 0.454 1052 A N 2.063 124.942 122.820 0.098 0.000 2.446 1052 A HA 0.678 4.998 4.320 -0.000 0.000 0.282 1052 A C -0.730 177.008 177.584 0.257 0.000 1.102 1052 A CA -0.489 51.679 52.037 0.219 0.000 0.737 1052 A CB 1.327 20.407 19.000 0.133 0.000 1.212 1052 A HN 0.487 nan 8.150 nan 0.000 0.434 1053 V N -0.183 119.994 119.914 0.437 0.000 3.164 1053 V HA 0.984 5.104 4.120 -0.000 0.000 0.313 1053 V C 0.639 176.967 176.094 0.390 0.000 1.188 1053 V CA -0.555 61.925 62.300 0.301 0.000 1.058 1053 V CB 1.028 32.941 31.823 0.151 0.000 1.110 1053 V HN 1.514 nan 8.190 nan 0.000 0.453 1054 G N 0.777 109.788 108.800 0.351 0.000 2.248 1054 G HA2 0.367 4.327 3.960 -0.000 0.000 0.260 1054 G HA3 0.367 4.327 3.960 -0.000 0.000 0.260 1054 G C -1.656 173.492 174.900 0.413 0.000 1.214 1054 G CA -0.280 45.049 45.100 0.382 0.000 0.979 1054 G HN 0.732 nan 8.290 nan 0.000 0.454 1055 P HA -0.077 nan 4.420 nan 0.000 0.216 1055 P C 1.572 179.163 177.300 0.486 0.000 1.153 1055 P CA 0.893 64.266 63.100 0.455 0.000 0.848 1055 P CB 0.210 32.101 31.700 0.319 0.000 0.787 1056 L N -2.412 119.111 121.223 0.500 0.000 2.640 1056 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 1056 L C 0.786 177.878 176.870 0.369 0.000 1.123 1056 L CA -0.048 55.068 54.840 0.459 0.000 0.900 1056 L CB -0.203 42.147 42.059 0.486 0.000 1.146 1056 L HN -0.159 nan 8.230 nan 0.000 0.484 1057 S N 0.212 116.132 115.700 0.366 0.000 2.624 1057 S HA 0.229 4.699 4.470 -0.000 0.000 0.263 1057 S C 0.634 175.415 174.600 0.302 0.000 1.287 1057 S CA -0.612 57.792 58.200 0.339 0.000 0.990 1057 S CB 1.236 64.638 63.200 0.337 0.000 0.950 1057 S HN 0.382 nan 8.310 nan 0.000 0.561 1058 S N 1.457 117.340 115.700 0.306 0.000 2.589 1058 S HA 0.150 4.620 4.470 -0.000 0.000 0.265 1058 S C 0.939 175.728 174.600 0.314 0.000 1.342 1058 S CA -0.583 57.800 58.200 0.304 0.000 1.005 1058 S CB 0.185 63.583 63.200 0.331 0.000 0.909 1058 S HN 0.660 nan 8.310 nan 0.000 0.555 1059 N N 0.574 119.457 118.700 0.304 0.000 2.223 1059 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 1059 N C 1.413 177.111 175.510 0.313 0.000 1.016 1059 N CA 1.134 54.344 53.050 0.265 0.000 0.863 1059 N CB -0.341 38.282 38.487 0.226 0.000 0.983 1059 N HN 0.869 nan 8.380 nan 0.000 0.429 1060 W N 2.827 124.260 121.300 0.222 0.000 2.333 1060 W HA -0.193 4.467 4.660 -0.000 0.000 0.316 1060 W C 1.028 177.656 176.519 0.182 0.000 1.215 1060 W CA 1.433 58.898 57.345 0.201 0.000 1.278 1060 W CB -0.486 29.048 29.460 0.123 0.000 1.154 1060 W HN 0.031 nan 8.180 nan 0.000 0.486 1061 D N -0.134 120.574 120.400 0.513 0.000 2.116 1061 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 1061 D C 2.286 178.825 176.300 0.399 0.000 0.998 1061 D CA 2.052 56.368 54.000 0.527 0.000 0.836 1061 D CB -0.559 40.443 40.800 0.337 0.000 0.951 1061 D HN 0.222 nan 8.370 nan 0.000 0.449 1062 R N 0.484 121.152 120.500 0.281 0.000 2.096 1062 R HA -0.014 4.326 4.340 -0.000 0.000 0.235 1062 R C 2.263 178.622 176.300 0.099 0.000 1.127 1062 R CA 1.235 57.448 56.100 0.189 0.000 0.968 1062 R CB -0.292 30.097 30.300 0.149 0.000 0.861 1062 R HN 0.129 nan 8.270 nan 0.000 0.440 1063 A N 0.712 123.567 122.820 0.058 0.000 1.898 1063 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 1063 A C 2.373 179.916 177.584 -0.068 0.000 1.181 1063 A CA 1.357 53.379 52.037 -0.025 0.000 0.620 1063 A CB -0.780 18.172 19.000 -0.081 0.000 0.819 1063 A HN 0.446 nan 8.150 nan 0.000 0.442 1064 C N -0.579 118.653 119.300 -0.113 0.000 2.429 1064 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 1064 C C 2.635 177.593 174.990 -0.054 0.000 1.262 1064 C CA 1.200 60.129 59.018 -0.148 0.000 1.733 1064 C CB -1.334 26.297 27.740 -0.181 0.000 2.010 1064 C HN 0.684 nan 8.230 nan 0.000 0.483 1065 E N 0.937 121.141 120.200 0.007 0.000 2.106 1065 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 1065 E C 2.367 178.923 176.600 -0.073 0.000 0.984 1065 E CA 1.243 57.657 56.400 0.024 0.000 0.806 1065 E CB -0.238 29.548 29.700 0.143 0.000 0.750 1065 E HN 0.667 nan 8.360 nan 0.000 0.458 1066 A N 0.736 123.532 122.820 -0.040 0.000 1.933 1066 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 1066 A C 2.026 179.566 177.584 -0.073 0.000 1.175 1066 A CA 1.307 53.299 52.037 -0.074 0.000 0.628 1066 A CB -0.729 18.255 19.000 -0.027 0.000 0.814 1066 A HN 0.404 nan 8.150 nan 0.000 0.444 1067 Y N 0.787 121.003 120.300 -0.141 0.000 2.097 1067 Y HA -0.150 4.399 4.550 -0.000 0.000 0.282 1067 Y C 2.641 178.467 175.900 -0.124 0.000 1.152 1067 Y CA 1.482 59.503 58.100 -0.131 0.000 1.136 1067 Y CB -0.685 37.660 38.460 -0.191 0.000 0.975 1067 Y HN 0.295 nan 8.280 nan 0.000 0.498 1068 A N 0.132 122.844 122.820 -0.180 0.000 1.902 1068 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 1068 A C 2.132 179.566 177.584 -0.250 0.000 1.181 1068 A CA 1.922 53.842 52.037 -0.195 0.000 0.623 1068 A CB -0.785 18.255 19.000 0.067 0.000 0.818 1068 A HN 0.695 nan 8.150 nan 0.000 0.443 1069 Q N -0.734 118.821 119.800 -0.408 0.000 2.224 1069 Q HA -0.042 4.298 4.340 -0.000 0.000 0.203 1069 Q C 1.980 177.791 176.000 -0.316 0.000 0.970 1069 Q CA 1.149 56.649 55.803 -0.505 0.000 0.865 1069 Q CB -0.215 28.145 28.738 -0.630 0.000 0.922 1069 Q HN 0.697 nan 8.270 nan 0.000 0.445 1070 L N -0.452 120.586 121.223 -0.309 0.000 2.102 1070 L HA -0.071 4.269 4.340 -0.000 0.000 0.202 1070 L C 2.092 178.763 176.870 -0.332 0.000 1.076 1070 L CA 0.763 55.426 54.840 -0.296 0.000 0.761 1070 L CB -0.071 41.849 42.059 -0.232 0.000 0.921 1070 L HN 0.170 nan 8.230 nan 0.000 0.444 1071 V N -3.419 116.248 119.914 -0.412 0.000 3.621 1071 V HA 0.527 4.647 4.120 -0.000 0.000 0.285 1071 V C 0.748 176.678 176.094 -0.274 0.000 1.346 1071 V CA 0.042 62.113 62.300 -0.382 0.000 1.104 1071 V CB -0.688 30.851 31.823 -0.474 0.000 0.913 1071 V HN 0.417 nan 8.190 nan 0.000 0.432 1072 G N -0.966 107.699 108.800 -0.226 0.000 2.705 1072 G HA2 0.442 4.402 3.960 -0.000 0.000 0.686 1072 G HA3 0.442 4.402 3.960 -0.000 0.000 0.686 1072 G C 0.190 175.044 174.900 -0.078 0.000 1.285 1072 G CA -0.351 44.686 45.100 -0.106 0.000 0.800 1072 G HN 2.425 nan 8.290 nan 0.000 0.611 1073 G N -0.809 107.992 108.800 0.001 0.000 2.353 1073 G HA2 0.531 4.491 3.960 -0.000 0.000 0.615 1073 G HA3 0.531 4.491 3.960 -0.000 0.000 0.615 1073 G C -0.290 174.651 174.900 0.068 0.000 1.280 1073 G CA 0.400 45.512 45.100 0.019 0.000 1.000 1073 G HN 1.924 nan 8.290 nan 0.000 0.516 1074 T N 0.545 115.139 114.554 0.067 0.000 2.837 1074 T HA 0.525 4.875 4.350 -0.000 0.000 0.285 1074 T C 0.810 175.606 174.700 0.161 0.000 0.984 1074 T CA -0.242 61.914 62.100 0.092 0.000 1.049 1074 T CB 1.574 70.467 68.868 0.041 0.000 0.947 1074 T HN 0.933 nan 8.240 nan 0.000 0.472 1075 V N 3.852 123.854 119.914 0.146 0.000 2.599 1075 V HA 0.091 4.211 4.120 -0.000 0.000 0.300 1075 V C 0.444 176.541 176.094 0.006 0.000 1.034 1075 V CA 0.187 62.497 62.300 0.018 0.000 1.115 1075 V CB 0.461 32.226 31.823 -0.097 0.000 0.934 1075 V HN 0.830 nan 8.190 nan 0.000 0.485 1076 D N 3.521 123.877 120.400 -0.074 0.000 2.469 1076 D HA 0.286 4.926 4.640 -0.000 0.000 0.251 1076 D C 0.092 176.368 176.300 -0.040 0.000 1.173 1076 D CA -0.487 53.492 54.000 -0.036 0.000 0.882 1076 D CB 0.929 41.820 40.800 0.151 0.000 1.129 1076 D HN 0.469 nan 8.370 nan 0.000 0.549 1077 Y N 2.276 122.687 120.300 0.185 0.000 2.578 1077 Y HA 0.276 4.826 4.550 -0.000 0.000 0.297 1077 Y C 1.620 177.809 175.900 0.483 0.000 1.176 1077 Y CA 0.590 58.911 58.100 0.369 0.000 1.315 1077 Y CB 0.238 38.947 38.460 0.415 0.000 1.031 1077 Y HN 0.611 nan 8.280 nan 0.000 0.524 1078 G N -0.167 108.883 108.800 0.416 0.000 3.190 1078 G HA2 0.029 3.989 3.960 -0.000 0.000 0.686 1078 G HA3 0.029 3.989 3.960 -0.000 0.000 0.686 1078 G C 0.568 175.432 174.900 -0.059 0.000 1.033 1078 G CA -0.555 44.641 45.100 0.159 0.000 0.797 1078 G HN 0.410 nan 8.290 nan 0.000 0.567 1079 A N 1.907 124.636 122.820 -0.151 0.000 1.908 1079 A HA 0.267 4.587 4.320 -0.000 0.000 0.218 1079 A C 2.886 180.044 177.584 -0.709 0.000 1.181 1079 A CA 3.166 55.033 52.037 -0.284 0.000 0.627 1079 A CB -0.679 18.290 19.000 -0.053 0.000 0.818 1079 A HN 2.487 nan 8.150 nan 0.000 0.445 1080 A N -1.039 121.214 122.820 -0.946 0.000 1.873 1080 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 1080 A C 2.014 179.185 177.584 -0.689 0.000 1.186 1080 A CA 2.003 53.337 52.037 -1.171 0.000 0.616 1080 A CB -0.936 17.576 19.000 -0.812 0.000 0.823 1080 A HN 0.774 nan 8.150 nan 0.000 0.442 1081 H N -0.019 118.699 119.070 -0.588 0.000 2.319 1081 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 1081 H C 2.173 177.226 175.328 -0.458 0.000 1.092 1081 H CA 2.249 57.981 56.048 -0.527 0.000 1.302 1081 H CB -0.217 29.226 29.762 -0.532 0.000 1.373 1081 H HN 0.395 nan 8.280 nan 0.000 0.497 1082 A N 0.692 123.288 122.820 -0.373 0.000 1.902 1082 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 1082 A C 2.575 179.858 177.584 -0.502 0.000 1.181 1082 A CA 1.719 53.424 52.037 -0.554 0.000 0.623 1082 A CB -1.310 17.494 19.000 -0.327 0.000 0.818 1082 A HN 0.634 nan 8.150 nan 0.000 0.443 1083 A N -0.478 122.075 122.820 -0.446 0.000 1.969 1083 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 1083 A C 2.094 179.451 177.584 -0.377 0.000 1.169 1083 A CA 1.856 53.682 52.037 -0.352 0.000 0.635 1083 A CB -0.353 18.444 19.000 -0.338 0.000 0.810 1083 A HN 0.570 nan 8.150 nan 0.000 0.445 1084 K N -1.359 118.723 120.400 -0.528 0.000 2.167 1084 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 1084 K C 1.252 177.427 176.600 -0.709 0.000 1.052 1084 K CA 1.424 57.337 56.287 -0.624 0.000 0.956 1084 K CB -0.135 31.886 32.500 -0.799 0.000 0.735 1084 K HN 0.668 nan 8.250 nan 0.000 0.451 1085 H N -1.824 116.973 119.070 -0.456 0.000 2.705 1085 H HA 0.255 4.811 4.556 -0.000 0.000 0.269 1085 H C 0.455 175.698 175.328 -0.141 0.000 0.998 1085 H CA 0.409 56.288 56.048 -0.283 0.000 1.193 1085 H CB 1.456 31.021 29.762 -0.329 0.000 1.485 1085 H HN 0.410 nan 8.280 nan 0.000 0.521 1086 G N 1.403 110.089 108.800 -0.189 0.000 2.212 1086 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.255 1086 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.255 1086 G C -0.358 174.470 174.900 -0.120 0.000 1.062 1086 G CA 0.490 45.534 45.100 -0.093 0.000 0.815 1086 G HN 0.734 nan 8.290 nan 0.000 0.497 1087 H N -2.072 116.779 119.070 -0.365 0.000 2.894 1087 H HA 0.878 5.434 4.556 -0.000 0.000 0.368 1087 H C 0.358 175.493 175.328 -0.320 0.000 1.181 1087 H CA -0.572 55.141 56.048 -0.558 0.000 1.146 1087 H CB 0.839 29.701 29.762 -1.500 0.000 1.839 1087 H HN 0.919 nan 8.280 nan 0.000 0.557 1088 A N 1.371 124.227 122.820 0.059 0.000 2.586 1088 A HA 0.047 4.367 4.320 -0.000 0.000 0.231 1088 A C 1.633 179.344 177.584 0.211 0.000 1.055 1088 A CA 0.402 52.516 52.037 0.127 0.000 0.756 1088 A CB -0.149 18.945 19.000 0.158 0.000 0.988 1088 A HN 0.934 nan 8.150 nan 0.000 0.509 1089 R N 0.813 121.360 120.500 0.080 0.000 2.093 1089 R HA 0.070 4.410 4.340 -0.000 0.000 0.224 1089 R C -0.582 175.652 176.300 -0.111 0.000 1.101 1089 R CA 0.719 56.770 56.100 -0.082 0.000 0.979 1089 R CB -0.006 30.042 30.300 -0.420 0.000 0.877 1089 R HN 0.659 nan 8.270 nan 0.000 0.441 1090 F N -0.761 119.358 119.950 0.281 0.000 2.450 1090 F HA 0.490 5.017 4.527 -0.000 0.000 0.332 1090 F C 1.018 176.966 175.800 0.247 0.000 1.093 1090 F CA -0.629 57.495 58.000 0.206 0.000 1.003 1090 F CB 1.943 41.019 39.000 0.126 0.000 1.151 1090 F HN 0.000 nan 8.300 nan 0.000 0.474 1091 G N 1.674 110.688 108.800 0.356 0.000 3.194 1091 G HA2 0.478 4.438 3.960 -0.000 0.000 0.160 1091 G HA3 0.478 4.438 3.960 -0.000 0.000 0.160 1091 G C -0.418 174.593 174.900 0.185 0.000 1.267 1091 G CA -0.888 44.403 45.100 0.318 0.000 0.962 1091 G HN 0.459 nan 8.290 nan 0.000 0.612 1092 R N -0.515 120.056 120.500 0.119 0.000 2.577 1092 R HA 0.505 4.845 4.340 -0.000 0.000 0.269 1092 R C -0.703 175.488 176.300 -0.181 0.000 1.084 1092 R CA -0.087 55.968 56.100 -0.075 0.000 1.163 1092 R CB 0.681 30.849 30.300 -0.220 0.000 1.100 1092 R HN 0.318 nan 8.270 nan 0.000 0.547 1093 T N 1.708 116.079 114.554 -0.306 0.000 2.797 1093 T HA 0.412 4.762 4.350 -0.000 0.000 0.279 1093 T C -1.075 173.385 174.700 -0.401 0.000 0.991 1093 T CA -0.426 61.540 62.100 -0.223 0.000 0.979 1093 T CB 0.445 69.246 68.868 -0.112 0.000 0.943 1093 T HN 0.285 nan 8.240 nan 0.000 0.444 1094 Y N 2.877 123.170 120.300 -0.013 0.000 2.485 1094 Y HA 0.361 4.911 4.550 -0.000 0.000 0.345 1094 Y C -1.463 174.408 175.900 -0.048 0.000 0.998 1094 Y CA -2.414 55.670 58.100 -0.026 0.000 1.059 1094 Y CB 1.691 40.128 38.460 -0.038 0.000 1.234 1094 Y HN 0.397 nan 8.280 nan 0.000 0.461 1095 P HA 0.067 nan 4.420 nan 0.000 0.220 1095 P C 0.051 177.344 177.300 -0.012 0.000 1.152 1095 P CA 1.401 64.518 63.100 0.027 0.000 0.812 1095 P CB 0.696 32.407 31.700 0.019 0.000 0.792 1096 G N -0.228 108.562 108.800 -0.017 0.000 3.355 1096 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.686 1096 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.686 1096 G C 0.083 174.888 174.900 -0.158 0.000 1.097 1096 G CA -0.510 44.522 45.100 -0.113 0.000 0.881 1096 G HN 0.158 nan 8.290 nan 0.000 0.550 1097 L N 1.332 122.413 121.223 -0.236 0.000 2.127 1097 L HA 0.297 4.637 4.340 -0.000 0.000 0.203 1097 L C 1.489 178.103 176.870 -0.426 0.000 1.080 1097 L CA 0.976 55.602 54.840 -0.356 0.000 0.768 1097 L CB -0.050 41.725 42.059 -0.474 0.000 0.924 1097 L HN 0.479 nan 8.230 nan 0.000 0.444 1098 L N 1.033 122.033 121.223 -0.372 0.000 2.556 1098 L HA 0.245 4.585 4.340 -0.000 0.000 0.243 1098 L C -1.591 175.104 176.870 -0.292 0.000 1.331 1098 L CA -1.031 53.607 54.840 -0.337 0.000 0.927 1098 L CB 0.960 42.810 42.059 -0.348 0.000 1.219 1098 L HN -0.140 nan 8.230 nan 0.000 0.490 1099 P HA -0.212 nan 4.420 nan 0.000 0.221 1099 P C 1.000 178.171 177.300 -0.216 0.000 1.145 1099 P CA 1.182 64.156 63.100 -0.210 0.000 0.795 1099 P CB 0.261 31.873 31.700 -0.147 0.000 0.775 1100 E N 0.713 120.792 120.200 -0.202 0.000 2.409 1100 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 1100 E C 1.926 178.374 176.600 -0.253 0.000 1.024 1100 E CA 0.523 56.814 56.400 -0.181 0.000 0.861 1100 E CB -1.145 28.474 29.700 -0.135 0.000 0.788 1100 E HN 0.322 nan 8.360 nan 0.000 0.521 1101 L N 0.508 121.493 121.223 -0.397 0.000 2.191 1101 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 1101 L C 2.390 178.795 176.870 -0.775 0.000 1.103 1101 L CA 1.240 55.672 54.840 -0.681 0.000 0.769 1101 L CB -0.310 41.141 42.059 -1.013 0.000 0.908 1101 L HN 0.048 nan 8.230 nan 0.000 0.438 1102 K N 0.481 120.603 120.400 -0.462 0.000 2.432 1102 K HA -0.070 4.250 4.320 -0.000 0.000 0.196 1102 K C 1.430 178.004 176.600 -0.044 0.000 1.038 1102 K CA 0.577 56.760 56.287 -0.173 0.000 0.986 1102 K CB 0.102 32.551 32.500 -0.085 0.000 0.782 1102 K HN 0.425 nan 8.250 nan 0.000 0.485 1103 R N -1.198 119.249 120.500 -0.088 0.000 2.577 1103 R HA 0.223 4.563 4.340 -0.000 0.000 0.344 1103 R C 0.653 176.937 176.300 -0.025 0.000 1.037 1103 R CA 0.400 56.479 56.100 -0.034 0.000 1.102 1103 R CB 0.713 30.988 30.300 -0.042 0.000 1.313 1103 R HN 0.096 nan 8.270 nan 0.000 0.561 1104 G N -0.115 108.668 108.800 -0.028 0.000 2.296 1104 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.188 1104 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.188 1104 G C 0.423 175.305 174.900 -0.031 0.000 1.000 1104 G CA -0.491 44.607 45.100 -0.004 0.000 0.672 1104 G HN 0.581 nan 8.290 nan 0.000 0.483 1105 G N -0.110 108.636 108.800 -0.089 0.000 2.636 1105 G HA2 0.544 4.504 3.960 -0.000 0.000 0.246 1105 G HA3 0.544 4.504 3.960 -0.000 0.000 0.246 1105 G C 0.114 174.956 174.900 -0.096 0.000 1.216 1105 G CA -0.020 45.020 45.100 -0.099 0.000 0.854 1105 G HN 0.452 nan 8.290 nan 0.000 0.572 1106 R N -1.550 118.895 120.500 -0.091 0.000 2.905 1106 R HA 0.742 5.082 4.340 -0.000 0.000 0.260 1106 R C -1.511 174.705 176.300 -0.140 0.000 1.086 1106 R CA -0.818 55.232 56.100 -0.084 0.000 0.978 1106 R CB 2.139 32.392 30.300 -0.077 0.000 1.215 1106 R HN 0.500 nan 8.270 nan 0.000 0.480 1107 V N 0.400 120.216 119.914 -0.163 0.000 3.120 1107 V HA 0.396 4.516 4.120 -0.000 0.000 0.303 1107 V C -1.737 174.222 176.094 -0.226 0.000 1.238 1107 V CA -0.662 61.530 62.300 -0.180 0.000 1.008 1107 V CB 2.435 34.211 31.823 -0.078 0.000 1.064 1107 V HN 0.807 nan 8.190 nan 0.000 0.434 1108 H N 4.723 123.787 119.070 -0.010 0.000 2.457 1108 H HA 0.687 5.243 4.556 -0.000 0.000 0.335 1108 H C -0.436 174.874 175.328 -0.031 0.000 1.115 1108 H CA -0.402 55.630 56.048 -0.027 0.000 1.219 1108 H CB 1.666 31.407 29.762 -0.035 0.000 1.471 1108 H HN 0.570 nan 8.280 nan 0.000 0.491 1109 I N 4.163 124.787 120.570 0.091 0.000 2.362 1109 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 1109 I C -0.443 175.709 176.117 0.058 0.000 0.994 1109 I CA -0.369 60.959 61.300 0.047 0.000 1.158 1109 I CB 1.286 39.312 38.000 0.043 0.000 1.315 1109 I HN 0.427 nan 8.210 nan 0.000 0.451 1110 I N 6.088 126.663 120.570 0.008 0.000 2.328 1110 I HA 0.535 4.705 4.170 -0.000 0.000 0.287 1110 I C 0.076 176.267 176.117 0.123 0.000 1.012 1110 I CA -0.239 61.086 61.300 0.042 0.000 1.195 1110 I CB 1.446 39.394 38.000 -0.086 0.000 1.350 1110 I HN 0.605 nan 8.210 nan 0.000 0.464 1111 A N 6.438 129.426 122.820 0.280 0.000 2.355 1111 A HA 0.537 4.857 4.320 -0.000 0.000 0.317 1111 A C -1.145 176.720 177.584 0.468 0.000 1.094 1111 A CA -0.494 51.766 52.037 0.371 0.000 0.764 1111 A CB 1.109 20.254 19.000 0.242 0.000 1.230 1111 A HN 0.797 nan 8.150 nan 0.000 0.448 1112 H N 2.003 121.298 119.070 0.376 0.000 2.492 1112 H HA 0.561 5.117 4.556 -0.000 0.000 0.345 1112 H C 0.758 176.107 175.328 0.035 0.000 1.136 1112 H CA 0.677 56.814 56.048 0.148 0.000 1.202 1112 H CB 1.606 31.313 29.762 -0.091 0.000 1.524 1112 H HN 1.156 nan 8.280 nan 0.000 0.506 1113 S N 2.357 117.695 115.700 -0.602 0.000 3.949 1113 S HA -0.387 4.083 4.470 -0.000 0.000 0.626 1113 S C 1.666 176.196 174.600 -0.116 0.000 2.168 1113 S CA 1.874 59.833 58.200 -0.402 0.000 4.124 1113 S CB -1.278 61.588 63.200 -0.558 0.000 0.220 1113 S HN 0.927 nan 8.310 nan 0.000 0.750 1114 Q N 0.875 120.660 119.800 -0.024 0.000 2.297 1114 Q HA -0.003 4.337 4.340 -0.000 0.000 0.208 1114 Q C 2.109 178.130 176.000 0.036 0.000 0.981 1114 Q CA 1.943 57.785 55.803 0.065 0.000 0.876 1114 Q CB -1.076 27.788 28.738 0.211 0.000 0.921 1114 Q HN 0.786 nan 8.270 nan 0.000 0.446 1115 G N -0.414 108.390 108.800 0.008 0.000 2.485 1115 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.221 1115 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.221 1115 G C 1.196 176.147 174.900 0.085 0.000 1.115 1115 G CA 0.642 45.757 45.100 0.025 0.000 0.751 1115 G HN 0.526 nan 8.290 nan 0.000 0.567 1116 G N -0.002 108.846 108.800 0.081 0.000 2.422 1116 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 1116 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 1116 G C 1.761 176.762 174.900 0.169 0.000 1.140 1116 G CA 0.896 46.080 45.100 0.139 0.000 0.775 1116 G HN 0.523 nan 8.290 nan 0.000 0.545 1117 Q N -0.240 119.607 119.800 0.078 0.000 2.123 1117 Q HA -0.051 4.289 4.340 -0.000 0.000 0.199 1117 Q C 2.831 178.900 176.000 0.116 0.000 0.966 1117 Q CA 1.508 57.376 55.803 0.108 0.000 0.845 1117 Q CB -0.193 28.588 28.738 0.072 0.000 0.907 1117 Q HN 0.407 nan 8.270 nan 0.000 0.439 1118 T N 1.121 115.736 114.554 0.102 0.000 2.708 1118 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 1118 T C 1.973 176.726 174.700 0.089 0.000 1.037 1118 T CA 1.254 63.407 62.100 0.088 0.000 1.146 1118 T CB -0.313 68.589 68.868 0.057 0.000 0.865 1118 T HN 0.377 nan 8.240 nan 0.000 0.435 1119 A N 1.825 124.714 122.820 0.115 0.000 1.908 1119 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 1119 A C 2.389 180.062 177.584 0.150 0.000 1.181 1119 A CA 1.586 53.697 52.037 0.123 0.000 0.627 1119 A CB -0.545 18.548 19.000 0.155 0.000 0.818 1119 A HN 0.408 nan 8.150 nan 0.000 0.445 1120 R N -1.470 119.163 120.500 0.222 0.000 2.073 1120 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 1120 R C 2.372 178.728 176.300 0.093 0.000 1.134 1120 R CA 1.765 58.014 56.100 0.248 0.000 0.952 1120 R CB -0.379 30.106 30.300 0.309 0.000 0.850 1120 R HN 0.671 nan 8.270 nan 0.000 0.433 1121 M N 0.587 120.202 119.600 0.024 0.000 2.159 1121 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 1121 M C 2.039 178.334 176.300 -0.008 0.000 1.063 1121 M CA 1.320 56.582 55.300 -0.063 0.000 1.110 1121 M CB -0.028 32.558 32.600 -0.023 0.000 1.374 1121 M HN 0.164 nan 8.290 nan 0.000 0.411 1122 L N 0.141 121.371 121.223 0.012 0.000 2.012 1122 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 1122 L C 2.098 178.961 176.870 -0.012 0.000 1.073 1122 L CA 1.714 56.547 54.840 -0.012 0.000 0.748 1122 L CB -0.895 41.172 42.059 0.014 0.000 0.891 1122 L HN 0.162 nan 8.230 nan 0.000 0.431 1123 V N -0.791 119.137 119.914 0.024 0.000 2.287 1123 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 1123 V C 2.595 178.706 176.094 0.029 0.000 1.053 1123 V CA 1.938 64.253 62.300 0.025 0.000 1.027 1123 V CB -0.837 31.028 31.823 0.069 0.000 0.646 1123 V HN 0.532 nan 8.190 nan 0.000 0.447 1124 S N -0.062 115.665 115.700 0.045 0.000 2.359 1124 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 1124 S C 1.913 176.582 174.600 0.115 0.000 1.035 1124 S CA 1.617 59.863 58.200 0.076 0.000 1.018 1124 S CB -0.386 62.834 63.200 0.033 0.000 0.876 1124 S HN 0.449 nan 8.310 nan 0.000 0.448 1125 L N 0.903 122.183 121.223 0.095 0.000 2.017 1125 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 1125 L C 2.311 179.155 176.870 -0.043 0.000 1.073 1125 L CA 1.035 55.915 54.840 0.066 0.000 0.745 1125 L CB -0.561 41.467 42.059 -0.052 0.000 0.894 1125 L HN 0.290 nan 8.230 nan 0.000 0.432 1126 L N -0.583 120.575 121.223 -0.108 0.000 2.012 1126 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 1126 L C 2.617 179.452 176.870 -0.058 0.000 1.073 1126 L CA 1.461 56.200 54.840 -0.168 0.000 0.748 1126 L CB -0.432 41.493 42.059 -0.223 0.000 0.891 1126 L HN 0.319 nan 8.230 nan 0.000 0.431 1127 E N -0.377 119.807 120.200 -0.027 0.000 2.112 1127 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 1127 E C 1.355 177.970 176.600 0.025 0.000 0.979 1127 E CA 0.853 57.247 56.400 -0.010 0.000 0.814 1127 E CB 0.067 29.769 29.700 0.003 0.000 0.762 1127 E HN 0.561 nan 8.360 nan 0.000 0.460 1128 N N -0.309 118.431 118.700 0.067 0.000 2.227 1128 N HA 0.081 4.821 4.740 -0.000 0.000 0.196 1128 N C 0.941 176.523 175.510 0.121 0.000 1.142 1128 N CA 0.799 53.906 53.050 0.095 0.000 0.887 1128 N CB 1.547 40.112 38.487 0.130 0.000 1.022 1128 N HN 0.118 nan 8.380 nan 0.000 0.500 1129 G N 1.171 110.047 108.800 0.126 0.000 2.601 1129 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 1129 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 1129 G C -0.540 174.506 174.900 0.244 0.000 1.294 1129 G CA 0.123 45.326 45.100 0.172 0.000 0.912 1129 G HN 0.398 nan 8.290 nan 0.000 0.574 1130 S N -1.075 114.782 115.700 0.260 0.000 2.672 1130 S HA 0.532 5.002 4.470 -0.000 0.000 0.291 1130 S C 0.772 175.425 174.600 0.088 0.000 1.145 1130 S CA 0.289 58.595 58.200 0.177 0.000 1.013 1130 S CB 1.679 64.990 63.200 0.185 0.000 1.017 1130 S HN 0.650 nan 8.310 nan 0.000 0.487 1131 Q N 2.693 122.522 119.800 0.049 0.000 2.084 1131 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 1131 Q C 1.664 177.667 176.000 0.004 0.000 0.978 1131 Q CA 1.816 57.637 55.803 0.029 0.000 0.844 1131 Q CB -0.219 28.528 28.738 0.016 0.000 0.898 1131 Q HN 0.948 nan 8.270 nan 0.000 0.426 1132 E N -0.050 120.122 120.200 -0.046 0.000 2.110 1132 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 1132 E C 1.549 178.115 176.600 -0.057 0.000 0.988 1132 E CA 0.811 57.167 56.400 -0.073 0.000 0.804 1132 E CB 0.300 29.901 29.700 -0.165 0.000 0.745 1132 E HN 0.226 nan 8.360 nan 0.000 0.458 1133 E N 0.369 120.509 120.200 -0.100 0.000 2.107 1133 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 1133 E C 2.156 178.786 176.600 0.049 0.000 0.982 1133 E CA 0.600 56.930 56.400 -0.117 0.000 0.809 1133 E CB -0.093 29.373 29.700 -0.391 0.000 0.756 1133 E HN 0.303 nan 8.360 nan 0.000 0.459 1134 R N 0.826 121.370 120.500 0.072 0.000 2.066 1134 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 1134 R C 2.284 178.641 176.300 0.096 0.000 1.131 1134 R CA 1.099 57.260 56.100 0.101 0.000 0.955 1134 R CB -0.256 30.099 30.300 0.092 0.000 0.851 1134 R HN 0.262 nan 8.270 nan 0.000 0.432 1135 E N -0.046 120.203 120.200 0.081 0.000 2.077 1135 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 1135 E C 1.815 178.479 176.600 0.107 0.000 0.989 1135 E CA 1.243 57.688 56.400 0.075 0.000 0.800 1135 E CB -0.204 29.530 29.700 0.056 0.000 0.746 1135 E HN 0.333 nan 8.360 nan 0.000 0.452 1136 Y N 1.133 121.435 120.300 0.004 0.000 2.181 1136 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 1136 Y C 2.292 178.236 175.900 0.073 0.000 1.146 1136 Y CA 1.548 59.652 58.100 0.007 0.000 1.164 1136 Y CB -0.230 38.151 38.460 -0.132 0.000 0.982 1136 Y HN -0.001 nan 8.280 nan 0.000 0.515 1137 A N 0.068 123.013 122.820 0.209 0.000 1.972 1137 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 1137 A C 2.157 179.792 177.584 0.085 0.000 1.169 1137 A CA 1.812 53.944 52.037 0.158 0.000 0.635 1137 A CB -0.476 18.624 19.000 0.166 0.000 0.810 1137 A HN 0.515 nan 8.150 nan 0.000 0.446 1138 K N -0.294 120.146 120.400 0.067 0.000 2.103 1138 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 1138 K C 1.925 178.524 176.600 -0.002 0.000 1.052 1138 K CA 1.452 57.761 56.287 0.036 0.000 0.945 1138 K CB -0.103 32.418 32.500 0.034 0.000 0.722 1138 K HN 0.641 nan 8.250 nan 0.000 0.443 1139 E N 0.228 120.417 120.200 -0.018 0.000 2.004 1139 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 1139 E C 1.685 178.175 176.600 -0.182 0.000 0.987 1139 E CA 1.097 57.433 56.400 -0.105 0.000 0.822 1139 E CB -0.188 29.441 29.700 -0.119 0.000 0.779 1139 E HN 0.383 nan 8.360 nan 0.000 0.458 1140 H N 0.714 119.597 119.070 -0.311 0.000 2.567 1140 H HA 0.058 4.614 4.556 -0.000 0.000 0.276 1140 H C -0.100 175.159 175.328 -0.115 0.000 1.016 1140 H CA 0.515 56.404 56.048 -0.266 0.000 1.186 1140 H CB -0.807 28.667 29.762 -0.479 0.000 1.351 1140 H HN 0.249 nan 8.280 nan 0.000 0.605 1141 N N 0.302 119.013 118.700 0.019 0.000 2.667 1141 N HA -0.182 4.558 4.740 -0.000 0.000 0.263 1141 N C -0.591 174.967 175.510 0.080 0.000 1.038 1141 N CA 0.179 53.254 53.050 0.041 0.000 0.749 1141 N CB -0.563 37.934 38.487 0.017 0.000 0.892 1141 N HN 0.251 nan 8.380 nan 0.000 0.546 1142 V N -1.376 118.606 119.914 0.114 0.000 3.113 1142 V HA 0.772 4.892 4.120 -0.000 0.000 0.316 1142 V C 0.792 176.979 176.094 0.154 0.000 1.125 1142 V CA -0.310 62.078 62.300 0.147 0.000 1.026 1142 V CB 1.563 33.501 31.823 0.191 0.000 1.080 1142 V HN 0.358 nan 8.190 nan 0.000 0.444 1143 S N 1.339 117.144 115.700 0.175 0.000 2.589 1143 S HA 0.626 5.096 4.470 -0.000 0.000 0.265 1143 S C -0.542 174.177 174.600 0.199 0.000 1.342 1143 S CA -0.340 57.967 58.200 0.178 0.000 1.005 1143 S CB 0.976 64.296 63.200 0.199 0.000 0.909 1143 S HN 1.286 nan 8.310 nan 0.000 0.555 1144 L N 1.403 122.741 121.223 0.190 0.000 2.438 1144 L HA 0.537 4.877 4.340 -0.000 0.000 0.270 1144 L C -0.018 176.971 176.870 0.198 0.000 0.972 1144 L CA -0.127 54.846 54.840 0.221 0.000 0.831 1144 L CB 2.015 44.193 42.059 0.198 0.000 1.273 1144 L HN 0.934 nan 8.230 nan 0.000 0.405 1145 S N 5.138 120.969 115.700 0.217 0.000 2.562 1145 S HA 0.302 4.772 4.470 -0.000 0.000 0.281 1145 S C -1.684 172.862 174.600 -0.090 0.000 1.333 1145 S CA -0.646 57.574 58.200 0.033 0.000 1.052 1145 S CB 0.918 64.030 63.200 -0.147 0.000 0.884 1145 S HN 0.634 nan 8.310 nan 0.000 0.506 1146 P HA -0.089 nan 4.420 nan 0.000 0.219 1146 P C 1.445 178.512 177.300 -0.388 0.000 1.146 1146 P CA 0.441 63.476 63.100 -0.108 0.000 0.808 1146 P CB 0.048 31.738 31.700 -0.015 0.000 0.779 1147 L N -1.664 119.067 121.223 -0.821 0.000 2.187 1147 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 1147 L C 1.454 177.891 176.870 -0.722 0.000 1.100 1147 L CA 1.929 56.077 54.840 -1.153 0.000 0.765 1147 L CB -1.087 39.935 42.059 -1.728 0.000 0.904 1147 L HN -0.119 nan 8.230 nan 0.000 0.437 1148 F N -0.771 119.064 119.950 -0.192 0.000 2.765 1148 F HA 0.172 4.699 4.527 -0.000 0.000 0.302 1148 F C 2.122 177.924 175.800 0.003 0.000 1.111 1148 F CA 0.029 57.990 58.000 -0.066 0.000 1.359 1148 F CB -0.542 38.457 39.000 -0.001 0.000 1.097 1148 F HN 0.178 nan 8.300 nan 0.000 0.577 1149 E N 0.167 120.445 120.200 0.130 0.000 2.170 1149 E HA 0.273 4.623 4.350 -0.000 0.000 0.191 1149 E C 1.393 178.064 176.600 0.117 0.000 0.981 1149 E CA 0.542 57.025 56.400 0.138 0.000 0.830 1149 E CB -0.046 29.741 29.700 0.145 0.000 0.775 1149 E HN 0.303 nan 8.360 nan 0.000 0.470 1150 G N -0.645 108.235 108.800 0.133 0.000 2.757 1150 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.638 1150 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.638 1150 G C 0.546 175.440 174.900 -0.009 0.000 1.344 1150 G CA -0.491 44.665 45.100 0.093 0.000 0.855 1150 G HN 0.717 nan 8.290 nan 0.000 0.537 1151 G N -1.531 107.205 108.800 -0.107 0.000 2.132 1151 G HA2 0.030 3.990 3.960 -0.000 0.000 0.234 1151 G HA3 0.030 3.990 3.960 -0.000 0.000 0.234 1151 G C 0.039 174.618 174.900 -0.535 0.000 0.989 1151 G CA 1.276 46.208 45.100 -0.281 0.000 0.676 1151 G HN 1.925 nan 8.290 nan 0.000 0.522 1152 H N -0.779 118.153 119.070 -0.231 0.000 2.539 1152 H HA 0.646 5.202 4.556 -0.000 0.000 0.332 1152 H C 0.459 175.545 175.328 -0.404 0.000 1.031 1152 H CA -0.696 55.083 56.048 -0.449 0.000 1.206 1152 H CB 1.326 30.549 29.762 -0.898 0.000 1.446 1152 H HN 0.169 nan 8.280 nan 0.000 0.496 1153 R N 4.594 125.015 120.500 -0.132 0.000 3.472 1153 R HA 0.207 4.547 4.340 -0.000 0.000 0.322 1153 R C -0.217 176.187 176.300 0.173 0.000 1.330 1153 R CA -0.143 55.950 56.100 -0.011 0.000 1.387 1153 R CB -0.352 29.955 30.300 0.011 0.000 1.446 1153 R HN 0.686 nan 8.270 nan 0.000 0.628 1154 F N -0.255 119.715 119.950 0.034 0.000 2.234 1154 F HA 0.006 4.533 4.527 -0.000 0.000 0.296 1154 F C 0.942 176.716 175.800 -0.043 0.000 1.089 1154 F CA -0.202 57.797 58.000 -0.001 0.000 1.343 1154 F CB 0.462 39.468 39.000 0.010 0.000 1.040 1154 F HN -0.039 nan 8.300 nan 0.000 0.498 1155 V N 2.669 122.666 119.914 0.139 0.000 2.427 1155 V HA -0.046 4.074 4.120 -0.000 0.000 0.268 1155 V C 0.803 176.879 176.094 -0.030 0.000 1.046 1155 V CA -0.166 62.148 62.300 0.023 0.000 0.970 1155 V CB 1.254 33.072 31.823 -0.008 0.000 1.001 1155 V HN 0.170 nan 8.190 nan 0.000 0.476 1156 L N 5.150 126.331 121.223 -0.070 0.000 2.162 1156 L HA 0.229 4.569 4.340 -0.000 0.000 0.205 1156 L C 1.053 177.952 176.870 0.049 0.000 1.086 1156 L CA 1.438 56.257 54.840 -0.035 0.000 0.778 1156 L CB 0.162 42.124 42.059 -0.162 0.000 0.928 1156 L HN 0.858 nan 8.230 nan 0.000 0.446 1157 S N -2.205 113.501 115.700 0.010 0.000 2.570 1157 S HA 0.691 5.161 4.470 -0.000 0.000 0.270 1157 S C -1.178 173.370 174.600 -0.085 0.000 1.149 1157 S CA -0.747 57.453 58.200 -0.000 0.000 0.837 1157 S CB 1.618 64.925 63.200 0.179 0.000 1.124 1157 S HN -0.155 nan 8.310 nan 0.000 0.465 1158 V N 1.774 121.554 119.914 -0.222 0.000 2.531 1158 V HA 0.657 4.777 4.120 -0.000 0.000 0.301 1158 V C -0.561 175.561 176.094 0.048 0.000 1.034 1158 V CA -0.325 61.913 62.300 -0.104 0.000 0.865 1158 V CB 1.939 33.648 31.823 -0.191 0.000 0.995 1158 V HN 1.054 nan 8.190 nan 0.000 0.424 1159 T N 3.200 117.851 114.554 0.162 0.000 2.786 1159 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 1159 T C -0.038 174.883 174.700 0.370 0.000 0.992 1159 T CA -0.422 61.842 62.100 0.272 0.000 0.954 1159 T CB 1.373 70.371 68.868 0.218 0.000 0.934 1159 T HN 0.882 nan 8.240 nan 0.000 0.440 1160 T N 1.479 116.330 114.554 0.494 0.000 2.807 1160 T HA 0.764 5.114 4.350 -0.000 0.000 0.279 1160 T C -0.444 174.528 174.700 0.453 0.000 0.993 1160 T CA -0.817 61.559 62.100 0.460 0.000 0.970 1160 T CB 0.425 69.621 68.868 0.546 0.000 0.950 1160 T HN 0.465 nan 8.240 nan 0.000 0.441 1161 I N 2.720 123.506 120.570 0.359 0.000 2.410 1161 I HA 0.553 4.723 4.170 -0.000 0.000 0.286 1161 I C 0.792 177.015 176.117 0.177 0.000 1.009 1161 I CA -1.103 60.393 61.300 0.326 0.000 1.111 1161 I CB 1.427 39.620 38.000 0.321 0.000 1.262 1161 I HN 1.093 nan 8.210 nan 0.000 0.443 1162 A N 3.541 126.446 122.820 0.142 0.000 2.869 1162 A HA -0.154 4.166 4.320 -0.000 0.000 0.280 1162 A C 0.406 178.002 177.584 0.020 0.000 1.458 1162 A CA 0.774 52.852 52.037 0.068 0.000 0.776 1162 A CB -2.419 16.562 19.000 -0.032 0.000 1.028 1162 A HN 0.666 nan 8.150 nan 0.000 0.547 1163 T N 2.313 116.844 114.554 -0.038 0.000 2.817 1163 T HA 0.506 4.856 4.350 -0.000 0.000 0.293 1163 T C -2.021 172.537 174.700 -0.237 0.000 0.964 1163 T CA -0.578 61.400 62.100 -0.203 0.000 1.085 1163 T CB 1.307 69.900 68.868 -0.460 0.000 0.921 1163 T HN 0.367 nan 8.240 nan 0.000 0.502 1164 P HA 0.190 nan 4.420 nan 0.000 0.225 1164 P C 0.157 177.402 177.300 -0.091 0.000 1.813 1164 P CA -0.187 62.877 63.100 -0.061 0.000 1.013 1164 P CB -0.279 31.439 31.700 0.031 0.000 1.961 1165 H N 0.271 119.303 119.070 -0.064 0.000 2.457 1165 H HA -0.064 4.492 4.556 -0.000 0.000 0.297 1165 H C 0.755 176.034 175.328 -0.082 0.000 1.092 1165 H CA 1.268 57.245 56.048 -0.119 0.000 1.309 1165 H CB 0.212 29.812 29.762 -0.270 0.000 1.382 1165 H HN 0.357 nan 8.280 nan 0.000 0.535 1166 D N -0.169 120.273 120.400 0.071 0.000 2.623 1166 D HA 0.212 4.851 4.640 -0.000 0.000 0.252 1166 D C 0.774 177.191 176.300 0.194 0.000 1.294 1166 D CA 0.584 54.656 54.000 0.120 0.000 0.824 1166 D CB 0.805 41.690 40.800 0.141 0.000 1.070 1166 D HN 0.474 nan 8.370 nan 0.000 0.487 1167 G N 1.093 109.954 108.800 0.103 0.000 2.782 1167 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.228 1167 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.228 1167 G C -0.322 174.673 174.900 0.158 0.000 1.372 1167 G CA -0.225 44.925 45.100 0.083 0.000 0.862 1167 G HN 0.233 nan 8.290 nan 0.000 0.547 1168 T N -1.794 112.814 114.554 0.089 0.000 2.912 1168 T HA 0.651 5.001 4.350 -0.000 0.000 0.299 1168 T C 1.501 176.217 174.700 0.026 0.000 1.052 1168 T CA 1.076 63.246 62.100 0.116 0.000 0.996 1168 T CB 1.232 70.138 68.868 0.063 0.000 1.070 1168 T HN 1.928 nan 8.240 nan 0.000 0.465 1169 T N 2.962 117.571 114.554 0.093 0.000 3.160 1169 T HA 0.028 4.378 4.350 -0.000 0.000 0.257 1169 T C 1.884 176.567 174.700 -0.029 0.000 1.147 1169 T CA 0.274 62.378 62.100 0.005 0.000 1.064 1169 T CB -0.276 68.669 68.868 0.128 0.000 0.949 1169 T HN 0.400 nan 8.240 nan 0.000 0.526 1170 L N 1.487 122.687 121.223 -0.038 0.000 2.127 1170 L HA 0.030 4.370 4.340 -0.000 0.000 0.211 1170 L C 2.418 178.967 176.870 -0.536 0.000 1.089 1170 L CA 1.286 56.068 54.840 -0.096 0.000 0.757 1170 L CB -0.571 41.501 42.059 0.022 0.000 0.899 1170 L HN 0.191 nan 8.230 nan 0.000 0.434 1171 V N 0.112 119.541 119.914 -0.808 0.000 2.720 1171 V HA -0.230 3.890 4.120 -0.000 0.000 0.256 1171 V C 1.859 177.451 176.094 -0.837 0.000 1.082 1171 V CA 1.606 63.049 62.300 -1.429 0.000 1.101 1171 V CB -0.979 30.294 31.823 -0.916 0.000 0.693 1171 V HN 0.560 nan 8.190 nan 0.000 0.479 1172 N N -0.450 117.937 118.700 -0.521 0.000 2.398 1172 N HA 0.107 4.847 4.740 -0.000 0.000 0.188 1172 N C 0.717 175.994 175.510 -0.388 0.000 1.122 1172 N CA 0.051 52.872 53.050 -0.382 0.000 0.866 1172 N CB 0.122 38.347 38.487 -0.437 0.000 0.970 1172 N HN 0.455 nan 8.380 nan 0.000 0.462 1173 M N 1.019 120.228 119.600 -0.651 0.000 2.248 1173 M HA -0.035 4.445 4.480 -0.000 0.000 0.345 1173 M C 1.407 177.529 176.300 -0.297 0.000 1.243 1173 M CA -0.146 54.611 55.300 -0.904 0.000 1.090 1173 M CB 1.075 33.103 32.600 -0.953 0.000 1.683 1173 M HN -0.219 nan 8.290 nan 0.000 0.450 1174 V N 2.733 122.532 119.914 -0.191 0.000 2.282 1174 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 1174 V C 1.275 177.371 176.094 0.002 0.000 1.057 1174 V CA 2.349 64.624 62.300 -0.043 0.000 1.032 1174 V CB -0.825 30.997 31.823 -0.002 0.000 0.645 1174 V HN 0.983 nan 8.190 nan 0.000 0.447 1175 D N -1.316 119.076 120.400 -0.012 0.000 2.722 1175 D HA 0.006 4.646 4.640 -0.000 0.000 0.239 1175 D C 1.321 177.669 176.300 0.081 0.000 1.249 1175 D CA -0.497 53.523 54.000 0.033 0.000 0.830 1175 D CB -0.329 40.477 40.800 0.011 0.000 1.025 1175 D HN 0.326 nan 8.370 nan 0.000 0.486 1176 F N 1.910 121.832 119.950 -0.047 0.000 2.120 1176 F HA -0.252 4.275 4.527 -0.000 0.000 0.300 1176 F C 1.857 177.764 175.800 0.177 0.000 1.095 1176 F CA 1.572 59.579 58.000 0.013 0.000 1.249 1176 F CB -0.533 38.448 39.000 -0.032 0.000 0.995 1176 F HN -0.019 nan 8.300 nan 0.000 0.480 1177 T N 0.235 114.853 114.554 0.106 0.000 2.684 1177 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 1177 T C 1.535 176.201 174.700 -0.057 0.000 1.036 1177 T CA 1.844 63.985 62.100 0.067 0.000 1.148 1177 T CB -0.390 68.604 68.868 0.210 0.000 0.863 1177 T HN 0.314 nan 8.240 nan 0.000 0.436 1178 D N 0.309 120.697 120.400 -0.020 0.000 2.162 1178 D HA 0.019 4.659 4.640 -0.000 0.000 0.203 1178 D C 2.445 178.757 176.300 0.021 0.000 0.967 1178 D CA 0.696 54.690 54.000 -0.010 0.000 0.840 1178 D CB -0.202 40.597 40.800 -0.002 0.000 0.972 1178 D HN 0.088 nan 8.370 nan 0.000 0.482 1179 R N 0.176 120.691 120.500 0.025 0.000 2.096 1179 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 1179 R C 2.015 178.344 176.300 0.048 0.000 1.127 1179 R CA 0.507 56.668 56.100 0.102 0.000 0.968 1179 R CB -0.907 29.454 30.300 0.102 0.000 0.861 1179 R HN 0.178 nan 8.270 nan 0.000 0.440 1180 F N -0.511 119.215 119.950 -0.373 0.000 2.102 1180 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 1180 F C 1.491 176.914 175.800 -0.628 0.000 1.105 1180 F CA 1.400 59.041 58.000 -0.599 0.000 1.239 1180 F CB -0.222 38.127 39.000 -1.084 0.000 0.991 1180 F HN -0.041 nan 8.300 nan 0.000 0.474 1181 F N 0.420 120.101 119.950 -0.448 0.000 2.407 1181 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 1181 F C 2.111 177.663 175.800 -0.413 0.000 1.097 1181 F CA 1.000 58.645 58.000 -0.592 0.000 1.422 1181 F CB -0.572 38.073 39.000 -0.592 0.000 1.067 1181 F HN -0.055 nan 8.300 nan 0.000 0.539 1182 D N -0.073 120.233 120.400 -0.157 0.000 2.183 1182 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 1182 D C 2.268 178.191 176.300 -0.629 0.000 0.969 1182 D CA 0.711 54.608 54.000 -0.170 0.000 0.842 1182 D CB -0.352 40.504 40.800 0.094 0.000 0.957 1182 D HN 0.175 nan 8.370 nan 0.000 0.484 1183 L N 0.963 121.723 121.223 -0.772 0.000 2.046 1183 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 1183 L C 1.928 178.455 176.870 -0.572 0.000 1.077 1183 L CA 1.676 55.932 54.840 -0.974 0.000 0.747 1183 L CB -0.577 41.194 42.059 -0.479 0.000 0.896 1183 L HN -0.103 nan 8.230 nan 0.000 0.432 1184 Q N 0.177 119.663 119.800 -0.522 0.000 2.084 1184 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 1184 Q C 2.238 178.199 176.000 -0.065 0.000 0.978 1184 Q CA 1.817 57.458 55.803 -0.270 0.000 0.844 1184 Q CB -0.277 28.186 28.738 -0.458 0.000 0.898 1184 Q HN 0.614 nan 8.270 nan 0.000 0.426 1185 K N 0.336 120.697 120.400 -0.065 0.000 2.097 1185 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 1185 K C 2.078 178.619 176.600 -0.099 0.000 1.050 1185 K CA 1.000 57.299 56.287 0.021 0.000 0.938 1185 K CB -0.118 32.420 32.500 0.063 0.000 0.718 1185 K HN 0.118 nan 8.250 nan 0.000 0.442 1186 A N 1.005 123.673 122.820 -0.252 0.000 1.972 1186 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 1186 A C 2.306 179.812 177.584 -0.130 0.000 1.169 1186 A CA 1.242 53.145 52.037 -0.223 0.000 0.635 1186 A CB -0.451 18.288 19.000 -0.434 0.000 0.810 1186 A HN 0.068 nan 8.150 nan 0.000 0.446 1187 V N -0.146 119.703 119.914 -0.110 0.000 2.453 1187 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 1187 V C 2.489 178.509 176.094 -0.124 0.000 1.048 1187 V CA 1.529 63.811 62.300 -0.030 0.000 1.049 1187 V CB -0.606 31.279 31.823 0.102 0.000 0.672 1187 V HN 0.562 nan 8.190 nan 0.000 0.457 1188 L N -0.121 121.023 121.223 -0.132 0.000 2.046 1188 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 1188 L C 2.586 179.318 176.870 -0.229 0.000 1.077 1188 L CA 1.960 56.666 54.840 -0.223 0.000 0.747 1188 L CB -0.464 41.493 42.059 -0.170 0.000 0.896 1188 L HN 0.418 nan 8.230 nan 0.000 0.432 1189 E N 0.149 120.257 120.200 -0.152 0.000 2.077 1189 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 1189 E C 2.196 178.675 176.600 -0.200 0.000 0.989 1189 E CA 1.096 57.416 56.400 -0.132 0.000 0.800 1189 E CB -0.003 29.654 29.700 -0.071 0.000 0.746 1189 E HN 0.470 nan 8.360 nan 0.000 0.452 1190 A N 0.723 123.406 122.820 -0.229 0.000 2.024 1190 A HA -0.076 4.243 4.320 -0.000 0.000 0.220 1190 A C 2.128 179.288 177.584 -0.707 0.000 1.164 1190 A CA 1.592 53.447 52.037 -0.304 0.000 0.643 1190 A CB -0.389 18.509 19.000 -0.170 0.000 0.806 1190 A HN 0.344 nan 8.150 nan 0.000 0.451 1191 A N -2.121 120.205 122.820 -0.823 0.000 2.307 1191 A HA 0.545 4.864 4.320 -0.000 0.000 0.218 1191 A C 1.286 178.562 177.584 -0.514 0.000 1.228 1191 A CA 0.977 52.368 52.037 -1.077 0.000 0.857 1191 A CB -0.828 17.621 19.000 -0.918 0.000 0.897 1191 A HN 2.014 nan 8.150 nan 0.000 0.495 1192 A N -1.664 120.952 122.820 -0.340 0.000 2.925 1192 A HA -0.103 4.217 4.320 -0.000 0.000 0.265 1192 A C 0.124 177.636 177.584 -0.120 0.000 1.419 1192 A CA 0.771 52.702 52.037 -0.176 0.000 0.807 1192 A CB -2.503 16.416 19.000 -0.134 0.000 1.043 1192 A HN 0.971 nan 8.150 nan 0.000 0.600 1193 V N -0.064 119.761 119.914 -0.147 0.000 2.417 1193 V HA 0.698 4.818 4.120 -0.000 0.000 0.291 1193 V C 0.741 176.868 176.094 0.056 0.000 1.024 1193 V CA -0.253 62.010 62.300 -0.062 0.000 0.861 1193 V CB 1.515 33.205 31.823 -0.221 0.000 0.985 1193 V HN 1.456 nan 8.190 nan 0.000 0.436 1194 A N 3.376 126.335 122.820 0.231 0.000 2.328 1194 A HA 0.497 4.817 4.320 -0.000 0.000 0.284 1194 A C 1.207 178.928 177.584 0.228 0.000 1.160 1194 A CA 0.219 52.352 52.037 0.160 0.000 0.818 1194 A CB 0.645 19.697 19.000 0.088 0.000 1.087 1194 A HN 1.150 nan 8.150 nan 0.000 0.504 1195 S N 1.646 117.431 115.700 0.142 0.000 2.607 1195 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 1195 S C 0.814 175.484 174.600 0.116 0.000 0.969 1195 S CA 0.760 59.065 58.200 0.175 0.000 0.927 1195 S CB -0.313 62.965 63.200 0.130 0.000 0.772 1195 S HN 0.857 nan 8.310 nan 0.000 0.533 1196 N N 1.302 120.030 118.700 0.046 0.000 2.184 1196 N HA 0.273 5.013 4.740 -0.000 0.000 0.206 1196 N C 0.071 175.519 175.510 -0.104 0.000 1.151 1196 N CA 0.108 53.148 53.050 -0.017 0.000 0.878 1196 N CB 0.126 38.603 38.487 -0.016 0.000 1.014 1196 N HN 0.389 nan 8.380 nan 0.000 0.512 1197 A N 2.257 124.960 122.820 -0.194 0.000 2.328 1197 A HA 0.430 4.750 4.320 -0.000 0.000 0.284 1197 A C -2.062 175.225 177.584 -0.495 0.000 1.160 1197 A CA -1.333 50.431 52.037 -0.454 0.000 0.818 1197 A CB 0.381 18.858 19.000 -0.872 0.000 1.087 1197 A HN 0.093 nan 8.150 nan 0.000 0.504 1198 P HA 0.078 nan 4.420 nan 0.000 0.225 1198 P C -0.906 176.263 177.300 -0.218 0.000 1.768 1198 P CA 0.019 62.966 63.100 -0.256 0.000 0.943 1198 P CB -0.742 30.845 31.700 -0.188 0.000 1.936 1199 Y N 0.714 120.963 120.300 -0.086 0.000 2.810 1199 Y HA -0.069 4.481 4.550 -0.000 0.000 0.332 1199 Y C 2.360 178.203 175.900 -0.095 0.000 1.243 1199 Y CA 0.489 58.550 58.100 -0.065 0.000 1.537 1199 Y CB 0.214 38.660 38.460 -0.024 0.000 1.265 1199 Y HN 0.205 nan 8.280 nan 0.000 0.572 1200 T N -2.533 112.079 114.554 0.096 0.000 3.037 1200 T HA 0.061 4.411 4.350 -0.000 0.000 0.251 1200 T C 0.573 175.286 174.700 0.023 0.000 1.079 1200 T CA 0.233 62.346 62.100 0.021 0.000 1.067 1200 T CB -0.089 68.783 68.868 0.006 0.000 0.948 1200 T HN 0.498 nan 8.240 nan 0.000 0.496 1201 S N 0.816 116.550 115.700 0.056 0.000 2.651 1201 S HA 0.461 4.931 4.470 -0.000 0.000 0.291 1201 S C -0.530 174.079 174.600 0.014 0.000 1.141 1201 S CA -1.007 57.209 58.200 0.027 0.000 1.027 1201 S CB 1.321 64.537 63.200 0.026 0.000 1.043 1201 S HN 0.410 nan 8.310 nan 0.000 0.530 1202 E N 0.629 120.839 120.200 0.016 0.000 2.344 1202 E HA 0.246 4.596 4.350 -0.000 0.000 0.270 1202 E C 0.040 176.666 176.600 0.042 0.000 1.021 1202 E CA -0.003 56.421 56.400 0.040 0.000 0.887 1202 E CB 0.571 30.306 29.700 0.059 0.000 0.997 1202 E HN 0.617 nan 8.360 nan 0.000 0.429 1203 I N 1.867 122.497 120.570 0.099 0.000 4.197 1203 I HA 0.039 4.209 4.170 -0.000 0.000 0.307 1203 I C -0.355 175.834 176.117 0.119 0.000 1.236 1203 I CA 0.001 61.322 61.300 0.036 0.000 1.321 1203 I CB 0.833 38.785 38.000 -0.079 0.000 1.309 1203 I HN 0.447 nan 8.210 nan 0.000 0.450 1204 Y N 2.373 122.764 120.300 0.151 0.000 2.294 1204 Y HA 0.366 4.916 4.550 -0.000 0.000 0.329 1204 Y C -1.421 174.666 175.900 0.312 0.000 1.135 1204 Y CA -2.121 56.038 58.100 0.099 0.000 1.213 1204 Y CB 0.512 38.917 38.460 -0.091 0.000 1.141 1204 Y HN -0.034 nan 8.280 nan 0.000 0.446 1205 D N 4.176 124.870 120.400 0.491 0.000 2.295 1205 D HA 0.151 4.791 4.640 -0.000 0.000 0.248 1205 D C 0.229 176.738 176.300 0.350 0.000 1.154 1205 D CA -0.032 54.201 54.000 0.388 0.000 0.857 1205 D CB 0.479 41.452 40.800 0.289 0.000 1.117 1205 D HN 0.376 nan 8.370 nan 0.000 0.468 1206 F N 2.980 123.098 119.950 0.281 0.000 2.811 1206 F HA 0.067 4.594 4.527 -0.000 0.000 0.301 1206 F C 1.157 177.150 175.800 0.321 0.000 1.151 1206 F CA -0.069 58.102 58.000 0.286 0.000 1.412 1206 F CB -0.082 39.105 39.000 0.312 0.000 1.113 1206 F HN 0.321 nan 8.300 nan 0.000 0.579 1207 K N 0.493 121.149 120.400 0.427 0.000 3.257 1207 K HA -0.221 4.099 4.320 -0.000 0.000 0.270 1207 K C -0.117 176.708 176.600 0.374 0.000 0.984 1207 K CA 0.473 56.979 56.287 0.365 0.000 0.739 1207 K CB -2.461 30.252 32.500 0.354 0.000 1.351 1207 K HN 0.412 nan 8.250 nan 0.000 0.463 1208 L N 0.518 121.973 121.223 0.385 0.000 2.978 1208 L HA 0.070 4.410 4.340 -0.000 0.000 0.239 1208 L C 1.107 178.162 176.870 0.309 0.000 1.293 1208 L CA -0.482 54.589 54.840 0.386 0.000 1.085 1208 L CB 0.120 42.435 42.059 0.426 0.000 1.432 1208 L HN 0.026 nan 8.230 nan 0.000 0.512 1209 D N 0.857 121.409 120.400 0.253 0.000 2.149 1209 D HA -0.226 4.414 4.640 -0.000 0.000 0.198 1209 D C 2.267 178.658 176.300 0.151 0.000 0.990 1209 D CA 1.213 55.335 54.000 0.203 0.000 0.839 1209 D CB 0.086 41.005 40.800 0.199 0.000 0.948 1209 D HN 0.459 nan 8.370 nan 0.000 0.460 1210 Q N -0.297 119.532 119.800 0.048 0.000 2.291 1210 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 1210 Q C 1.352 177.216 176.000 -0.227 0.000 0.976 1210 Q CA 1.012 56.713 55.803 -0.171 0.000 0.875 1210 Q CB -0.853 27.480 28.738 -0.675 0.000 0.927 1210 Q HN 0.498 nan 8.270 nan 0.000 0.450 1211 W N 0.574 121.894 121.300 0.033 0.000 3.220 1211 W HA 0.405 5.065 4.660 -0.000 0.000 0.328 1211 W C 0.842 177.417 176.519 0.094 0.000 1.205 1211 W CA 0.073 57.459 57.345 0.069 0.000 1.773 1211 W CB 0.555 30.049 29.460 0.056 0.000 1.086 1211 W HN 0.348 nan 8.180 nan 0.000 0.622 1212 G N 1.580 110.547 108.800 0.280 0.000 2.273 1212 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 1212 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 1212 G C -0.750 174.284 174.900 0.224 0.000 1.047 1212 G CA -0.258 44.973 45.100 0.218 0.000 0.869 1212 G HN 0.057 nan 8.290 nan 0.000 0.502 1213 L N 0.078 121.461 121.223 0.267 0.000 2.341 1213 L HA 0.903 5.243 4.340 -0.000 0.000 0.278 1213 L C 0.438 177.482 176.870 0.291 0.000 1.005 1213 L CA -1.041 53.959 54.840 0.267 0.000 0.818 1213 L CB 1.849 44.066 42.059 0.264 0.000 1.259 1213 L HN 0.626 nan 8.230 nan 0.000 0.418 1214 R N 2.005 122.664 120.500 0.265 0.000 2.604 1214 R HA 0.532 4.872 4.340 -0.000 0.000 0.261 1214 R C -1.071 175.161 176.300 -0.114 0.000 1.080 1214 R CA -0.975 55.202 56.100 0.128 0.000 0.917 1214 R CB 1.360 31.709 30.300 0.082 0.000 1.252 1214 R HN 0.505 nan 8.270 nan 0.000 0.456 1215 R N 1.689 121.806 120.500 -0.638 0.000 2.491 1215 R HA 0.057 4.397 4.340 -0.000 0.000 0.283 1215 R C -0.656 175.414 176.300 -0.383 0.000 1.072 1215 R CA -0.132 55.410 56.100 -0.930 0.000 1.048 1215 R CB 0.787 30.302 30.300 -1.309 0.000 0.983 1215 R HN 0.643 nan 8.270 nan 0.000 0.450 1216 E N 4.606 124.652 120.200 -0.258 0.000 2.343 1216 E HA 0.225 4.575 4.350 -0.000 0.000 0.269 1216 E C -2.339 174.156 176.600 -0.175 0.000 1.047 1216 E CA -2.026 54.281 56.400 -0.156 0.000 0.874 1216 E CB 1.018 30.656 29.700 -0.103 0.000 1.033 1216 E HN 0.381 nan 8.360 nan 0.000 0.409 1217 P HA 0.088 nan 4.420 nan 0.000 0.265 1217 P C 0.253 177.484 177.300 -0.116 0.000 1.193 1217 P CA 1.126 64.163 63.100 -0.105 0.000 0.765 1217 P CB 0.680 32.342 31.700 -0.065 0.000 0.823 1218 G N 1.582 110.312 108.800 -0.117 0.000 2.199 1218 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 1218 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 1218 G C 0.166 174.958 174.900 -0.180 0.000 0.982 1218 G CA -0.096 44.927 45.100 -0.129 0.000 0.632 1218 G HN 0.625 nan 8.290 nan 0.000 0.529 1219 E N 1.520 121.589 120.200 -0.219 0.000 2.200 1219 E HA 0.533 4.883 4.350 -0.000 0.000 0.283 1219 E C 1.031 177.462 176.600 -0.281 0.000 1.015 1219 E CA 0.117 56.362 56.400 -0.259 0.000 0.819 1219 E CB 0.574 30.128 29.700 -0.243 0.000 1.081 1219 E HN 0.480 nan 8.360 nan 0.000 0.397 1220 S N 3.220 118.794 115.700 -0.211 0.000 2.593 1220 S HA 0.074 4.544 4.470 -0.000 0.000 0.269 1220 S C 0.771 175.238 174.600 -0.222 0.000 1.334 1220 S CA -0.448 57.649 58.200 -0.171 0.000 1.015 1220 S CB 0.424 63.574 63.200 -0.083 0.000 0.912 1220 S HN 0.568 nan 8.310 nan 0.000 0.541 1221 F N 0.583 120.436 119.950 -0.162 0.000 2.293 1221 F HA -0.021 4.506 4.527 -0.000 0.000 0.300 1221 F C 2.194 177.641 175.800 -0.588 0.000 1.086 1221 F CA 1.180 58.891 58.000 -0.480 0.000 1.375 1221 F CB -0.383 38.260 39.000 -0.595 0.000 1.045 1221 F HN 0.531 nan 8.300 nan 0.000 0.516 1222 D N -0.889 119.463 120.400 -0.081 0.000 2.092 1222 D HA -0.237 4.403 4.640 -0.000 0.000 0.193 1222 D C 2.256 178.544 176.300 -0.021 0.000 0.994 1222 D CA 1.459 55.453 54.000 -0.010 0.000 0.828 1222 D CB -0.606 40.214 40.800 0.033 0.000 0.963 1222 D HN 0.299 nan 8.370 nan 0.000 0.450 1223 H N -0.740 118.272 119.070 -0.097 0.000 2.389 1223 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 1223 H C 2.051 177.336 175.328 -0.073 0.000 1.081 1223 H CA 1.144 57.142 56.048 -0.083 0.000 1.345 1223 H CB -0.243 29.471 29.762 -0.080 0.000 1.393 1223 H HN 0.164 nan 8.280 nan 0.000 0.520 1224 Y N 0.839 121.059 120.300 -0.133 0.000 2.181 1224 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 1224 Y C 2.015 177.812 175.900 -0.172 0.000 1.146 1224 Y CA 1.378 59.362 58.100 -0.194 0.000 1.164 1224 Y CB -0.794 37.464 38.460 -0.338 0.000 0.982 1224 Y HN 0.057 nan 8.280 nan 0.000 0.515 1225 F N 0.702 120.457 119.950 -0.326 0.000 2.234 1225 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 1225 F C 2.307 177.619 175.800 -0.814 0.000 1.087 1225 F CA 1.118 58.726 58.000 -0.654 0.000 1.340 1225 F CB -0.901 37.863 39.000 -0.393 0.000 1.031 1225 F HN 0.087 nan 8.300 nan 0.000 0.500 1226 E N 0.286 120.271 120.200 -0.359 0.000 2.106 1226 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 1226 E C 2.355 178.702 176.600 -0.421 0.000 0.984 1226 E CA 0.802 56.960 56.400 -0.403 0.000 0.806 1226 E CB -0.315 29.187 29.700 -0.330 0.000 0.750 1226 E HN 0.407 nan 8.360 nan 0.000 0.458 1227 R N 0.044 120.302 120.500 -0.403 0.000 2.066 1227 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 1227 R C 2.381 178.472 176.300 -0.348 0.000 1.131 1227 R CA 0.692 56.601 56.100 -0.317 0.000 0.955 1227 R CB -0.341 29.830 30.300 -0.215 0.000 0.851 1227 R HN 0.058 nan 8.270 nan 0.000 0.432 1228 L N 1.650 122.575 121.223 -0.496 0.000 2.079 1228 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 1228 L C 1.869 178.473 176.870 -0.445 0.000 1.081 1228 L CA 1.757 56.308 54.840 -0.482 0.000 0.752 1228 L CB -0.467 41.233 42.059 -0.599 0.000 0.896 1228 L HN 0.084 nan 8.230 nan 0.000 0.433 1229 K N -0.814 119.179 120.400 -0.679 0.000 2.280 1229 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 1229 K C 1.711 178.191 176.600 -0.200 0.000 1.047 1229 K CA 1.028 56.942 56.287 -0.621 0.000 0.942 1229 K CB -0.101 31.977 32.500 -0.703 0.000 0.739 1229 K HN 0.351 nan 8.250 nan 0.000 0.457 1230 R N 0.604 120.988 120.500 -0.192 0.000 2.362 1230 R HA 0.065 4.405 4.340 -0.000 0.000 0.227 1230 R C 0.632 176.879 176.300 -0.088 0.000 0.905 1230 R CA -0.059 55.980 56.100 -0.102 0.000 1.067 1230 R CB 0.637 30.867 30.300 -0.117 0.000 1.078 1230 R HN 0.076 nan 8.270 nan 0.000 0.516 1231 S N 0.347 115.979 115.700 -0.114 0.000 2.707 1231 S HA 0.293 4.763 4.470 -0.000 0.000 0.276 1231 S C -1.987 172.491 174.600 -0.202 0.000 1.179 1231 S CA -1.318 56.795 58.200 -0.146 0.000 0.992 1231 S CB 1.586 64.683 63.200 -0.172 0.000 1.030 1231 S HN -0.263 nan 8.310 nan 0.000 0.554 1232 P HA 0.022 nan 4.420 nan 0.000 0.225 1232 P C 1.087 177.949 177.300 -0.731 0.000 1.148 1232 P CA 0.437 63.176 63.100 -0.603 0.000 0.779 1232 P CB -0.124 31.002 31.700 -0.957 0.000 0.780 1233 V N -2.004 117.516 119.914 -0.657 0.000 3.141 1233 V HA -0.102 4.018 4.120 -0.000 0.000 0.265 1233 V C 1.607 177.716 176.094 0.026 0.000 1.126 1233 V CA 1.176 63.252 62.300 -0.373 0.000 1.141 1233 V CB -0.858 30.849 31.823 -0.193 0.000 0.743 1233 V HN 0.412 nan 8.190 nan 0.000 0.492 1234 W N 0.345 121.514 121.300 -0.219 0.000 2.942 1234 W HA 0.014 4.674 4.660 -0.000 0.000 0.260 1234 W C 1.969 178.422 176.519 -0.109 0.000 1.101 1234 W CA 0.965 58.240 57.345 -0.117 0.000 1.436 1234 W CB 0.697 30.108 29.460 -0.081 0.000 0.883 1234 W HN 0.414 nan 8.180 nan 0.000 0.646 1235 T N -1.661 112.839 114.554 -0.090 0.000 3.022 1235 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 1235 T C 1.037 175.646 174.700 -0.152 0.000 1.060 1235 T CA 0.628 62.650 62.100 -0.130 0.000 1.013 1235 T CB -0.016 68.813 68.868 -0.065 0.000 0.982 1235 T HN -0.021 nan 8.240 nan 0.000 0.508 1236 S N 1.364 116.961 115.700 -0.172 0.000 2.738 1236 S HA 0.411 4.881 4.470 -0.000 0.000 0.284 1236 S C 1.367 175.882 174.600 -0.142 0.000 1.146 1236 S CA 0.042 58.169 58.200 -0.121 0.000 0.997 1236 S CB 1.153 64.316 63.200 -0.062 0.000 1.081 1236 S HN 0.365 nan 8.310 nan 0.000 0.553 1237 T N -3.039 111.419 114.554 -0.160 0.000 3.081 1237 T HA 0.095 4.444 4.350 -0.000 0.000 0.255 1237 T C 0.426 175.021 174.700 -0.175 0.000 1.113 1237 T CA 0.704 62.600 62.100 -0.340 0.000 1.082 1237 T CB -0.576 67.952 68.868 -0.567 0.000 0.939 1237 T HN 0.610 nan 8.240 nan 0.000 0.506 1238 D N 3.024 123.351 120.400 -0.122 0.000 2.994 1238 D HA 0.199 4.839 4.640 -0.000 0.000 0.240 1238 D C 0.066 176.445 176.300 0.132 0.000 1.195 1238 D CA -0.099 53.842 54.000 -0.099 0.000 0.957 1238 D CB -0.462 40.132 40.800 -0.344 0.000 1.105 1238 D HN 0.607 nan 8.370 nan 0.000 0.477 1239 T N -4.156 110.471 114.554 0.121 0.000 2.883 1239 T HA 0.626 4.976 4.350 -0.000 0.000 0.296 1239 T C 1.169 175.953 174.700 0.140 0.000 1.117 1239 T CA -0.401 61.773 62.100 0.123 0.000 1.006 1239 T CB 1.416 70.277 68.868 -0.012 0.000 1.191 1239 T HN -0.145 nan 8.240 nan 0.000 0.508 1240 A N 0.813 123.719 122.820 0.142 0.000 1.930 1240 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 1240 A C 2.355 179.936 177.584 -0.005 0.000 1.175 1240 A CA 1.659 53.778 52.037 0.137 0.000 0.627 1240 A CB -0.876 18.262 19.000 0.229 0.000 0.815 1240 A HN 0.944 nan 8.150 nan 0.000 0.443 1241 R N -1.712 118.689 120.500 -0.166 0.000 2.094 1241 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 1241 R C 2.060 178.219 176.300 -0.235 0.000 1.137 1241 R CA 2.357 58.218 56.100 -0.400 0.000 0.943 1241 R CB -0.608 29.136 30.300 -0.927 0.000 0.850 1241 R HN 0.592 nan 8.270 nan 0.000 0.433 1242 Y N 1.716 121.878 120.300 -0.230 0.000 2.133 1242 Y HA -0.177 4.373 4.550 -0.000 0.000 0.287 1242 Y C 1.756 177.614 175.900 -0.070 0.000 1.134 1242 Y CA 2.001 60.013 58.100 -0.146 0.000 1.133 1242 Y CB -0.351 38.052 38.460 -0.095 0.000 0.987 1242 Y HN 0.161 nan 8.280 nan 0.000 0.502 1243 D N 0.173 120.526 120.400 -0.078 0.000 2.263 1243 D HA -0.167 4.473 4.640 -0.000 0.000 0.208 1243 D C 2.182 178.410 176.300 -0.119 0.000 0.971 1243 D CA 1.082 55.028 54.000 -0.091 0.000 0.867 1243 D CB -0.274 40.586 40.800 0.100 0.000 0.929 1243 D HN 0.415 nan 8.370 nan 0.000 0.492 1244 L N 0.559 121.713 121.223 -0.115 0.000 2.240 1244 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 1244 L C 1.166 177.940 176.870 -0.159 0.000 1.106 1244 L CA 0.103 54.891 54.840 -0.088 0.000 0.793 1244 L CB -0.101 41.910 42.059 -0.079 0.000 0.927 1244 L HN 0.005 nan 8.230 nan 0.000 0.446 1245 S N -1.444 114.099 115.700 -0.262 0.000 2.584 1245 S HA 0.052 4.522 4.470 -0.000 0.000 0.270 1245 S C 1.330 175.805 174.600 -0.208 0.000 1.346 1245 S CA -0.683 57.354 58.200 -0.271 0.000 1.018 1245 S CB 1.573 64.579 63.200 -0.323 0.000 0.899 1245 S HN -0.022 nan 8.310 nan 0.000 0.542 1246 V N 2.556 122.375 119.914 -0.158 0.000 2.287 1246 V HA -0.088 4.032 4.120 -0.000 0.000 0.248 1246 V C -0.257 175.769 176.094 -0.114 0.000 1.053 1246 V CA 2.016 64.254 62.300 -0.103 0.000 1.027 1246 V CB -1.803 29.927 31.823 -0.156 0.000 0.646 1246 V HN 0.841 nan 8.190 nan 0.000 0.447 1247 P HA -0.062 nan 4.420 nan 0.000 0.220 1247 P C 1.758 178.936 177.300 -0.203 0.000 1.152 1247 P CA 1.884 64.914 63.100 -0.117 0.000 0.812 1247 P CB -0.199 31.458 31.700 -0.072 0.000 0.792 1248 G N 0.783 109.295 108.800 -0.480 0.000 2.402 1248 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 1248 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 1248 G C 1.833 176.548 174.900 -0.308 0.000 1.162 1248 G CA 0.986 45.577 45.100 -0.849 0.000 0.777 1248 G HN 0.343 nan 8.290 nan 0.000 0.539 1249 A N 0.485 123.191 122.820 -0.189 0.000 1.969 1249 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 1249 A C 2.113 179.690 177.584 -0.013 0.000 1.169 1249 A CA 1.941 53.942 52.037 -0.060 0.000 0.635 1249 A CB -0.367 18.619 19.000 -0.023 0.000 0.810 1249 A HN 0.476 nan 8.150 nan 0.000 0.445 1250 E N -0.702 119.489 120.200 -0.015 0.000 2.047 1250 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 1250 E C 1.969 178.606 176.600 0.062 0.000 0.987 1250 E CA 1.576 57.989 56.400 0.022 0.000 0.799 1250 E CB -0.123 29.587 29.700 0.017 0.000 0.752 1250 E HN 0.545 nan 8.360 nan 0.000 0.449 1251 T N 2.349 116.955 114.554 0.086 0.000 2.684 1251 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 1251 T C 1.696 176.548 174.700 0.253 0.000 1.036 1251 T CA 1.080 63.294 62.100 0.189 0.000 1.148 1251 T CB -0.303 68.722 68.868 0.262 0.000 0.863 1251 T HN 0.135 nan 8.240 nan 0.000 0.436 1252 L N 2.319 123.649 121.223 0.177 0.000 2.013 1252 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 1252 L C 1.835 178.650 176.870 -0.093 0.000 1.073 1252 L CA 1.947 56.833 54.840 0.077 0.000 0.753 1252 L CB -1.560 40.522 42.059 0.038 0.000 0.890 1252 L HN 0.198 nan 8.230 nan 0.000 0.432 1253 N N 0.048 118.736 118.700 -0.019 0.000 2.272 1253 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 1253 N C 1.764 177.281 175.510 0.012 0.000 1.014 1253 N CA 0.703 53.733 53.050 -0.034 0.000 0.870 1253 N CB -0.295 38.184 38.487 -0.013 0.000 0.975 1253 N HN 0.329 nan 8.380 nan 0.000 0.433 1254 R N 0.399 120.959 120.500 0.101 0.000 2.105 1254 R HA -0.104 4.235 4.340 -0.000 0.000 0.239 1254 R C 1.925 178.371 176.300 0.243 0.000 1.135 1254 R CA 1.094 57.294 56.100 0.167 0.000 0.967 1254 R CB -0.480 29.950 30.300 0.216 0.000 0.861 1254 R HN 0.613 nan 8.270 nan 0.000 0.442 1255 W N -0.845 120.509 121.300 0.090 0.000 2.873 1255 W HA 0.281 4.941 4.660 -0.000 0.000 0.282 1255 W C -0.312 176.273 176.519 0.110 0.000 1.118 1255 W CA -0.234 57.170 57.345 0.099 0.000 1.480 1255 W CB -0.018 29.511 29.460 0.116 0.000 0.954 1255 W HN -0.329 nan 8.180 nan 0.000 0.591 1256 V N 4.560 124.159 119.914 -0.524 0.000 2.322 1256 V HA 0.165 4.285 4.120 -0.000 0.000 0.258 1256 V C 0.133 176.133 176.094 -0.156 0.000 1.074 1256 V CA 0.029 62.032 62.300 -0.495 0.000 0.909 1256 V CB -0.280 31.149 31.823 -0.656 0.000 1.090 1256 V HN -0.044 nan 8.190 nan 0.000 0.486 1257 K N 2.771 123.141 120.400 -0.049 0.000 2.168 1257 K HA 0.828 5.148 4.320 -0.000 0.000 0.239 1257 K C 0.115 176.697 176.600 -0.030 0.000 0.999 1257 K CA -0.696 55.582 56.287 -0.014 0.000 0.900 1257 K CB 1.598 34.110 32.500 0.020 0.000 1.111 1257 K HN 0.580 nan 8.250 nan 0.000 0.452 1258 A N 1.034 123.793 122.820 -0.102 0.000 2.401 1258 A HA 0.163 4.483 4.320 -0.000 0.000 0.259 1258 A C 0.043 177.594 177.584 -0.055 0.000 1.103 1258 A CA -0.115 51.748 52.037 -0.291 0.000 0.789 1258 A CB 0.472 19.123 19.000 -0.582 0.000 1.035 1258 A HN 0.541 nan 8.150 nan 0.000 0.491 1259 S N 3.207 118.983 115.700 0.126 0.000 2.537 1259 S HA 0.429 4.899 4.470 -0.000 0.000 0.275 1259 S C -1.278 173.362 174.600 0.066 0.000 1.272 1259 S CA -1.271 56.989 58.200 0.100 0.000 1.050 1259 S CB 0.764 64.026 63.200 0.104 0.000 0.961 1259 S HN 0.560 nan 8.310 nan 0.000 0.496 1260 P HA 0.029 nan 4.420 nan 0.000 0.237 1260 P C 0.096 177.348 177.300 -0.079 0.000 1.178 1260 P CA 0.542 63.619 63.100 -0.039 0.000 0.766 1260 P CB 0.028 31.708 31.700 -0.033 0.000 0.876 1261 N N -0.218 118.444 118.700 -0.063 0.000 2.236 1261 N HA 0.033 4.773 4.740 -0.000 0.000 0.196 1261 N C 0.728 176.158 175.510 -0.134 0.000 1.114 1261 N CA 0.471 53.467 53.050 -0.091 0.000 0.859 1261 N CB 0.645 39.104 38.487 -0.046 0.000 0.982 1261 N HN 0.253 nan 8.380 nan 0.000 0.493 1262 T N -1.511 112.944 114.554 -0.165 0.000 2.906 1262 T HA 0.463 4.813 4.350 -0.000 0.000 0.295 1262 T C -1.082 173.403 174.700 -0.358 0.000 1.061 1262 T CA -0.588 61.370 62.100 -0.237 0.000 1.000 1262 T CB 1.302 69.993 68.868 -0.295 0.000 1.103 1262 T HN -0.093 nan 8.240 nan 0.000 0.486 1263 Y N 1.597 121.734 120.300 -0.273 0.000 2.299 1263 Y HA 0.545 5.095 4.550 -0.000 0.000 0.326 1263 Y C -0.367 175.252 175.900 -0.469 0.000 1.164 1263 Y CA -0.453 57.514 58.100 -0.221 0.000 1.234 1263 Y CB 0.789 39.189 38.460 -0.100 0.000 1.219 1263 Y HN 0.589 nan 8.280 nan 0.000 0.497 1264 Y N 2.859 123.049 120.300 -0.184 0.000 2.350 1264 Y HA 0.583 5.133 4.550 -0.000 0.000 0.338 1264 Y C -1.119 174.682 175.900 -0.165 0.000 0.961 1264 Y CA -0.965 56.874 58.100 -0.436 0.000 1.100 1264 Y CB 1.260 38.924 38.460 -1.327 0.000 1.179 1264 Y HN 0.344 nan 8.280 nan 0.000 0.454 1265 L N 3.230 124.530 121.223 0.128 0.000 2.386 1265 L HA 0.717 5.057 4.340 -0.000 0.000 0.271 1265 L C -0.447 176.619 176.870 0.327 0.000 0.993 1265 L CA -0.472 54.462 54.840 0.156 0.000 0.819 1265 L CB 2.239 44.342 42.059 0.072 0.000 1.294 1265 L HN 0.633 nan 8.230 nan 0.000 0.414 1266 S N 1.274 117.106 115.700 0.219 0.000 2.521 1266 S HA 0.824 5.294 4.470 -0.000 0.000 0.295 1266 S C -1.003 173.591 174.600 -0.009 0.000 1.098 1266 S CA -0.625 57.748 58.200 0.288 0.000 0.999 1266 S CB 1.107 64.508 63.200 0.335 0.000 1.034 1266 S HN 0.215 nan 8.310 nan 0.000 0.483 1267 F N 1.290 121.372 119.950 0.220 0.000 2.482 1267 F HA 0.637 5.164 4.527 -0.000 0.000 0.331 1267 F C 0.651 176.563 175.800 0.187 0.000 1.115 1267 F CA -0.368 57.757 58.000 0.207 0.000 0.955 1267 F CB 2.445 41.545 39.000 0.167 0.000 1.136 1267 F HN 0.620 nan 8.300 nan 0.000 0.452 1268 S N 0.629 116.543 115.700 0.356 0.000 2.638 1268 S HA 0.799 5.269 4.470 -0.000 0.000 0.298 1268 S C -0.425 174.323 174.600 0.248 0.000 1.111 1268 S CA -0.780 57.557 58.200 0.229 0.000 1.027 1268 S CB 1.821 65.101 63.200 0.133 0.000 1.064 1268 S HN 0.655 nan 8.310 nan 0.000 0.525 1269 T N -0.722 113.920 114.554 0.147 0.000 2.900 1269 T HA 0.771 5.121 4.350 -0.000 0.000 0.295 1269 T C -1.146 173.597 174.700 0.071 0.000 1.044 1269 T CA -0.822 61.343 62.100 0.108 0.000 0.995 1269 T CB 2.032 70.934 68.868 0.056 0.000 1.072 1269 T HN 0.602 nan 8.240 nan 0.000 0.473 1270 E N 0.158 120.393 120.200 0.057 0.000 2.352 1270 E HA 0.591 4.940 4.350 -0.000 0.000 0.280 1270 E C -1.109 175.526 176.600 0.058 0.000 0.930 1270 E CA -0.755 55.674 56.400 0.048 0.000 0.765 1270 E CB 1.860 31.584 29.700 0.040 0.000 1.219 1270 E HN 0.586 nan 8.360 nan 0.000 0.434 1271 R N 1.636 122.179 120.500 0.072 0.000 2.569 1271 R HA 0.217 4.557 4.340 -0.000 0.000 0.429 1271 R C -1.477 174.899 176.300 0.126 0.000 0.994 1271 R CA 0.239 56.393 56.100 0.089 0.000 1.089 1271 R CB 0.647 30.989 30.300 0.070 0.000 1.420 1271 R HN 0.499 nan 8.270 nan 0.000 0.615 1272 T N -2.109 112.536 114.554 0.152 0.000 2.900 1272 T HA 0.536 4.886 4.350 -0.000 0.000 0.295 1272 T C -0.597 174.276 174.700 0.289 0.000 1.044 1272 T CA -0.761 61.449 62.100 0.182 0.000 0.995 1272 T CB 1.374 70.338 68.868 0.161 0.000 1.072 1272 T HN 0.166 nan 8.240 nan 0.000 0.473 1273 Y N 0.073 120.508 120.300 0.224 0.000 2.487 1273 Y HA 0.774 5.324 4.550 -0.000 0.000 0.337 1273 Y C 0.099 175.994 175.900 -0.008 0.000 1.076 1273 Y CA -1.674 56.503 58.100 0.127 0.000 1.115 1273 Y CB 1.260 39.766 38.460 0.076 0.000 1.235 1273 Y HN 0.910 nan 8.280 nan 0.000 0.468 1274 R N 1.670 122.101 120.500 -0.114 0.000 2.357 1274 R HA 0.548 4.888 4.340 -0.000 0.000 0.296 1274 R C 0.126 176.408 176.300 -0.030 0.000 1.052 1274 R CA -0.442 55.325 56.100 -0.554 0.000 0.988 1274 R CB 0.680 30.547 30.300 -0.723 0.000 1.025 1274 R HN 1.133 nan 8.270 nan 0.000 0.469 1275 G N 1.479 110.303 108.800 0.040 0.000 2.467 1275 G HA2 0.337 4.297 3.960 -0.000 0.000 0.257 1275 G HA3 0.337 4.297 3.960 -0.000 0.000 0.257 1275 G C 0.512 175.437 174.900 0.042 0.000 1.227 1275 G CA -0.018 45.176 45.100 0.157 0.000 0.835 1275 G HN 0.811 nan 8.290 nan 0.000 0.556 1276 A N 1.555 124.391 122.820 0.026 0.000 1.843 1276 A HA 0.113 4.433 4.320 -0.000 0.000 0.213 1276 A C 1.931 179.518 177.584 0.005 0.000 1.202 1276 A CA 1.085 53.124 52.037 0.004 0.000 0.607 1276 A CB -0.360 18.636 19.000 -0.007 0.000 0.847 1276 A HN 0.777 nan 8.150 nan 0.000 0.445 1277 L N -0.747 120.482 121.223 0.009 0.000 2.653 1277 L HA 0.248 4.588 4.340 -0.000 0.000 0.231 1277 L C 1.629 178.516 176.870 0.028 0.000 1.153 1277 L CA 1.569 56.416 54.840 0.012 0.000 0.933 1277 L CB -0.061 42.000 42.059 0.004 0.000 1.175 1277 L HN 0.391 nan 8.230 nan 0.000 0.473 1278 T N -2.613 111.972 114.554 0.053 0.000 3.056 1278 T HA 0.335 4.685 4.350 -0.000 0.000 0.243 1278 T C 1.368 176.097 174.700 0.049 0.000 0.995 1278 T CA 0.871 63.021 62.100 0.082 0.000 1.091 1278 T CB 0.162 69.150 68.868 0.201 0.000 0.990 1278 T HN 0.404 nan 8.240 nan 0.000 0.464 1279 G N 1.619 110.438 108.800 0.032 0.000 2.258 1279 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.233 1279 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.233 1279 G C 0.166 175.049 174.900 -0.028 0.000 1.006 1279 G CA 0.177 45.272 45.100 -0.009 0.000 0.620 1279 G HN 0.601 nan 8.290 nan 0.000 0.511 1280 N N -0.101 118.583 118.700 -0.028 0.000 2.347 1280 N HA 0.561 5.301 4.740 -0.000 0.000 0.253 1280 N C -0.520 174.813 175.510 -0.296 0.000 1.274 1280 N CA 0.120 53.087 53.050 -0.139 0.000 0.941 1280 N CB 0.313 38.606 38.487 -0.324 0.000 1.200 1280 N HN 0.304 nan 8.380 nan 0.000 0.514 1281 Y N -0.499 119.519 120.300 -0.470 0.000 2.446 1281 Y HA 0.403 4.953 4.550 -0.000 0.000 0.338 1281 Y C -0.584 174.858 175.900 -0.764 0.000 1.055 1281 Y CA -0.641 57.216 58.100 -0.404 0.000 1.101 1281 Y CB 1.203 39.537 38.460 -0.209 0.000 1.221 1281 Y HN 0.346 nan 8.280 nan 0.000 0.460 1282 Y N 2.226 122.258 120.300 -0.448 0.000 2.536 1282 Y HA 0.435 4.985 4.550 -0.000 0.000 0.347 1282 Y C -2.494 173.174 175.900 -0.387 0.000 1.000 1282 Y CA -3.230 54.574 58.100 -0.493 0.000 1.051 1282 Y CB 1.372 39.386 38.460 -0.745 0.000 1.259 1282 Y HN 0.338 nan 8.280 nan 0.000 0.468 1283 P HA 0.065 nan 4.420 nan 0.000 0.271 1283 P C -0.777 176.663 177.300 0.234 0.000 1.216 1283 P CA -0.004 63.160 63.100 0.108 0.000 0.771 1283 P CB 1.178 32.939 31.700 0.102 0.000 0.864 1284 E N 1.455 121.801 120.200 0.243 0.000 2.342 1284 E HA 0.255 4.605 4.350 -0.000 0.000 0.257 1284 E C 0.170 176.876 176.600 0.176 0.000 1.150 1284 E CA -1.081 55.486 56.400 0.278 0.000 0.926 1284 E CB 0.603 30.435 29.700 0.220 0.000 1.074 1284 E HN 0.445 nan 8.360 nan 0.000 0.449 1285 L N 0.982 122.287 121.223 0.137 0.000 2.499 1285 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 1285 L C 0.944 177.865 176.870 0.085 0.000 1.195 1285 L CA 1.201 56.098 54.840 0.093 0.000 0.882 1285 L CB -0.153 41.943 42.059 0.061 0.000 1.133 1285 L HN 0.942 nan 8.230 nan 0.000 0.483 1286 G N 3.630 112.477 108.800 0.078 0.000 2.234 1286 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.235 1286 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.235 1286 G C 0.369 175.314 174.900 0.074 0.000 0.997 1286 G CA 0.209 45.352 45.100 0.072 0.000 0.623 1286 G HN 0.626 nan 8.290 nan 0.000 0.514 1287 M N 2.280 121.930 119.600 0.083 0.000 2.250 1287 M HA 0.288 4.768 4.480 -0.000 0.000 0.337 1287 M C 1.027 177.379 176.300 0.087 0.000 1.161 1287 M CA 0.254 55.605 55.300 0.084 0.000 1.088 1287 M CB 0.101 32.756 32.600 0.092 0.000 1.639 1287 M HN 0.566 nan 8.290 nan 0.000 0.447 1288 N N 4.328 123.084 118.700 0.093 0.000 2.356 1288 N HA 0.071 4.811 4.740 -0.000 0.000 0.252 1288 N C 0.645 176.227 175.510 0.121 0.000 1.241 1288 N CA 0.462 53.577 53.050 0.109 0.000 0.861 1288 N CB 0.631 39.193 38.487 0.126 0.000 1.075 1288 N HN 0.729 nan 8.380 nan 0.000 0.461 1289 A N 3.126 126.017 122.820 0.118 0.000 1.896 1289 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 1289 A C 1.848 179.507 177.584 0.126 0.000 1.206 1289 A CA 1.694 53.799 52.037 0.113 0.000 0.647 1289 A CB -1.275 17.791 19.000 0.111 0.000 0.828 1289 A HN 0.814 nan 8.150 nan 0.000 0.455 1290 F N 1.241 121.222 119.950 0.051 0.000 2.095 1290 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 1290 F C 2.696 178.532 175.800 0.059 0.000 1.104 1290 F CA 2.035 60.064 58.000 0.049 0.000 1.232 1290 F CB -0.484 38.542 39.000 0.043 0.000 0.987 1290 F HN 0.212 nan 8.300 nan 0.000 0.475 1291 S N 0.292 116.058 115.700 0.109 0.000 2.368 1291 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 1291 S C 2.306 176.892 174.600 -0.022 0.000 1.030 1291 S CA 1.060 59.283 58.200 0.038 0.000 0.999 1291 S CB -0.918 62.365 63.200 0.139 0.000 0.844 1291 S HN 0.534 nan 8.310 nan 0.000 0.459 1292 A N 1.185 124.014 122.820 0.016 0.000 1.902 1292 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 1292 A C 2.050 179.630 177.584 -0.007 0.000 1.181 1292 A CA 1.293 53.346 52.037 0.028 0.000 0.623 1292 A CB -0.584 18.451 19.000 0.059 0.000 0.818 1292 A HN 0.516 nan 8.150 nan 0.000 0.443 1293 I N -1.372 119.162 120.570 -0.061 0.000 2.585 1293 I HA -0.075 4.095 4.170 -0.000 0.000 0.254 1293 I C 2.014 178.045 176.117 -0.143 0.000 1.129 1293 I CA 0.630 61.885 61.300 -0.075 0.000 1.455 1293 I CB 0.041 38.001 38.000 -0.067 0.000 1.111 1293 I HN 0.133 nan 8.210 nan 0.000 0.433 1294 V N -0.512 119.211 119.914 -0.319 0.000 2.672 1294 V HA -0.094 4.026 4.120 -0.000 0.000 0.242 1294 V C 2.082 178.050 176.094 -0.210 0.000 1.059 1294 V CA 1.074 63.152 62.300 -0.371 0.000 1.081 1294 V CB 0.377 31.688 31.823 -0.853 0.000 0.752 1294 V HN 0.476 nan 8.190 nan 0.000 0.472 1295 C N 0.152 119.348 119.300 -0.174 0.000 2.520 1295 C HA 0.352 4.812 4.460 -0.000 0.000 0.291 1295 C C 3.035 178.072 174.990 0.078 0.000 1.364 1295 C CA 0.223 59.238 59.018 -0.004 0.000 1.781 1295 C CB -0.707 27.062 27.740 0.049 0.000 2.171 1295 C HN 0.536 nan 8.230 nan 0.000 0.516 1296 A N 2.356 125.201 122.820 0.042 0.000 1.892 1296 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 1296 A C 0.054 177.653 177.584 0.025 0.000 1.188 1296 A CA 2.107 54.170 52.037 0.043 0.000 0.631 1296 A CB -1.903 17.118 19.000 0.034 0.000 0.822 1296 A HN 0.451 nan 8.150 nan 0.000 0.447 1297 P HA -0.153 nan 4.420 nan 0.000 0.216 1297 P C 1.424 178.740 177.300 0.026 0.000 1.150 1297 P CA 1.090 64.190 63.100 0.001 0.000 0.837 1297 P CB -0.116 31.613 31.700 0.049 0.000 0.786 1298 F N -0.162 119.769 119.950 -0.032 0.000 2.113 1298 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 1298 F C 1.875 177.685 175.800 0.017 0.000 1.103 1298 F CA 1.226 59.222 58.000 -0.007 0.000 1.248 1298 F CB -0.805 38.180 39.000 -0.026 0.000 0.999 1298 F HN -0.277 nan 8.300 nan 0.000 0.475 1299 L N 0.501 121.810 121.223 0.143 0.000 2.079 1299 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 1299 L C 2.582 179.427 176.870 -0.041 0.000 1.081 1299 L CA 1.989 56.867 54.840 0.062 0.000 0.752 1299 L CB -2.351 39.768 42.059 0.101 0.000 0.896 1299 L HN 0.358 nan 8.230 nan 0.000 0.433 1300 G N -2.028 106.727 108.800 -0.075 0.000 2.920 1300 G HA2 0.015 3.975 3.960 -0.000 0.000 0.208 1300 G HA3 0.015 3.975 3.960 -0.000 0.000 0.208 1300 G C 1.295 176.105 174.900 -0.151 0.000 1.159 1300 G CA 0.895 45.931 45.100 -0.106 0.000 0.784 1300 G HN 0.536 nan 8.290 nan 0.000 0.535 1301 S N -1.962 113.630 115.700 -0.180 0.000 2.684 1301 S HA 0.210 4.680 4.470 -0.000 0.000 0.268 1301 S C 0.206 174.680 174.600 -0.210 0.000 1.075 1301 S CA -0.563 57.528 58.200 -0.181 0.000 1.184 1301 S CB -0.107 62.989 63.200 -0.172 0.000 1.129 1301 S HN 0.148 nan 8.310 nan 0.000 0.630 1302 Y N 4.091 124.107 120.300 -0.473 0.000 2.537 1302 Y HA 0.530 5.080 4.550 0.000 0.000 0.339 1302 Y C 0.254 175.971 175.900 -0.304 0.000 1.066 1302 Y CA -0.361 57.411 58.100 -0.547 0.000 1.357 1302 Y CB 0.284 38.132 38.460 -1.019 0.000 1.175 1302 Y HN 0.164 nan 8.280 nan 0.000 0.525 1303 R N 4.443 124.470 120.500 -0.788 0.000 2.803 1303 R HA 0.433 4.773 4.340 -0.000 0.000 0.276 1303 R C -1.206 174.589 176.300 -0.841 0.000 0.978 1303 R CA -1.177 54.547 56.100 -0.627 0.000 0.939 1303 R CB 1.594 31.694 30.300 -0.333 0.000 1.179 1303 R HN 0.640 nan 8.270 nan 0.000 0.472 1304 N N 0.591 118.942 118.700 -0.581 0.000 2.752 1304 N HA 0.112 4.851 4.740 -0.000 0.000 0.268 1304 N C -0.447 174.900 175.510 -0.272 0.000 1.190 1304 N CA -0.025 52.764 53.050 -0.434 0.000 0.897 1304 N CB 1.897 40.128 38.487 -0.428 0.000 1.515 1304 N HN 0.695 nan 8.380 nan 0.000 0.567 1305 A N 3.053 125.758 122.820 -0.192 0.000 1.930 1305 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 1305 A C 2.087 179.603 177.584 -0.114 0.000 1.175 1305 A CA 1.966 53.923 52.037 -0.133 0.000 0.627 1305 A CB -0.549 18.394 19.000 -0.096 0.000 0.815 1305 A HN 0.743 nan 8.150 nan 0.000 0.443 1306 A N -0.425 122.332 122.820 -0.106 0.000 1.908 1306 A HA -0.068 4.251 4.320 -0.000 0.000 0.218 1306 A C 2.025 179.553 177.584 -0.094 0.000 1.181 1306 A CA 1.607 53.596 52.037 -0.081 0.000 0.627 1306 A CB -0.484 18.478 19.000 -0.063 0.000 0.818 1306 A HN 0.475 nan 8.150 nan 0.000 0.445 1307 L N -1.639 119.503 121.223 -0.135 0.000 2.567 1307 L HA 0.215 4.555 4.340 -0.000 0.000 0.225 1307 L C 1.530 178.271 176.870 -0.215 0.000 1.119 1307 L CA 0.491 55.230 54.840 -0.167 0.000 0.871 1307 L CB -0.011 41.929 42.059 -0.199 0.000 1.036 1307 L HN 0.606 nan 8.230 nan 0.000 0.459 1308 G N 0.956 109.639 108.800 -0.195 0.000 2.149 1308 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 1308 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 1308 G C 0.082 174.806 174.900 -0.294 0.000 1.018 1308 G CA -0.401 44.599 45.100 -0.166 0.000 0.728 1308 G HN 0.135 nan 8.290 nan 0.000 0.508 1309 I N 2.311 122.622 120.570 -0.432 0.000 2.291 1309 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 1309 I C 0.526 176.479 176.117 -0.273 0.000 1.064 1309 I CA -0.625 60.297 61.300 -0.630 0.000 1.269 1309 I CB 0.097 37.714 38.000 -0.639 0.000 1.418 1309 I HN 0.420 nan 8.210 nan 0.000 0.485 1310 D N 3.534 123.918 120.400 -0.025 0.000 2.668 1310 D HA 0.251 4.891 4.640 -0.000 0.000 0.249 1310 D C 1.108 177.467 176.300 0.099 0.000 1.150 1310 D CA -0.385 53.642 54.000 0.045 0.000 1.090 1310 D CB 0.103 40.969 40.800 0.109 0.000 1.244 1310 D HN 0.265 nan 8.370 nan 0.000 0.636 1311 S N -1.635 114.071 115.700 0.011 0.000 2.442 1311 S HA -0.230 4.239 4.470 -0.000 0.000 0.236 1311 S C 1.419 175.992 174.600 -0.045 0.000 1.007 1311 S CA 1.046 59.228 58.200 -0.030 0.000 0.965 1311 S CB -1.057 62.086 63.200 -0.096 0.000 0.773 1311 S HN 0.519 nan 8.310 nan 0.000 0.504 1312 H N -0.979 118.156 119.070 0.109 0.000 2.521 1312 H HA 0.087 4.643 4.556 -0.000 0.000 0.286 1312 H C 0.871 176.147 175.328 -0.086 0.000 1.034 1312 H CA 1.412 57.468 56.048 0.013 0.000 1.278 1312 H CB -0.138 29.630 29.762 0.010 0.000 1.386 1312 H HN 0.516 nan 8.280 nan 0.000 0.567 1313 W N 0.081 121.369 121.300 -0.020 0.000 3.197 1313 W HA 0.174 4.834 4.660 -0.000 0.000 0.274 1313 W C 1.225 177.655 176.519 -0.150 0.000 1.297 1313 W CA 0.080 57.384 57.345 -0.068 0.000 1.662 1313 W CB 0.116 29.553 29.460 -0.037 0.000 1.106 1313 W HN 0.141 nan 8.180 nan 0.000 0.663 1314 L N -0.280 120.914 121.223 -0.047 0.000 2.156 1314 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 1314 L C 1.759 178.331 176.870 -0.496 0.000 1.095 1314 L CA 0.646 55.375 54.840 -0.185 0.000 0.770 1314 L CB -1.406 40.635 42.059 -0.030 0.000 0.914 1314 L HN -0.117 nan 8.230 nan 0.000 0.439 1315 G N 1.018 109.275 108.800 -0.905 0.000 2.398 1315 G HA2 0.264 4.224 3.960 -0.000 0.000 0.246 1315 G HA3 0.264 4.224 3.960 -0.000 0.000 0.246 1315 G C -0.474 174.243 174.900 -0.305 0.000 1.289 1315 G CA -0.081 44.529 45.100 -0.817 0.000 0.869 1315 G HN 0.586 nan 8.290 nan 0.000 0.543 1316 N N -0.739 117.872 118.700 -0.149 0.000 3.020 1316 N HA 0.387 5.127 4.740 -0.000 0.000 0.248 1316 N C -0.431 175.087 175.510 0.014 0.000 1.480 1316 N CA -0.584 52.437 53.050 -0.048 0.000 0.874 1316 N CB 1.461 39.939 38.487 -0.015 0.000 1.433 1316 N HN 0.278 nan 8.380 nan 0.000 0.530 1317 D N -1.954 118.476 120.400 0.051 0.000 2.424 1317 D HA 0.270 4.910 4.640 -0.000 0.000 0.220 1317 D C 1.035 177.400 176.300 0.108 0.000 1.150 1317 D CA 0.252 54.305 54.000 0.088 0.000 0.831 1317 D CB -0.241 40.639 40.800 0.133 0.000 0.981 1317 D HN 1.055 nan 8.370 nan 0.000 0.500 1318 G N 0.191 109.041 108.800 0.082 0.000 2.259 1318 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 1318 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 1318 G C 0.696 175.647 174.900 0.086 0.000 1.001 1318 G CA 0.301 45.456 45.100 0.092 0.000 0.627 1318 G HN 0.310 nan 8.290 nan 0.000 0.501 1319 I N -0.355 120.232 120.570 0.029 0.000 4.578 1319 I HA 0.314 4.484 4.170 -0.000 0.000 0.312 1319 I C 0.589 176.690 176.117 -0.028 0.000 1.224 1319 I CA 0.574 61.859 61.300 -0.025 0.000 1.318 1319 I CB 0.559 38.397 38.000 -0.270 0.000 1.388 1319 I HN 0.036 nan 8.210 nan 0.000 0.461 1320 V N 2.536 122.419 119.914 -0.051 0.000 2.628 1320 V HA 0.347 4.467 4.120 -0.000 0.000 0.306 1320 V C -0.573 175.539 176.094 0.030 0.000 1.045 1320 V CA -0.848 61.461 62.300 0.014 0.000 0.905 1320 V CB 1.864 33.702 31.823 0.025 0.000 0.997 1320 V HN 0.262 nan 8.190 nan 0.000 0.436 1321 N N 2.055 120.781 118.700 0.043 0.000 2.483 1321 N HA 0.169 4.909 4.740 -0.000 0.000 0.264 1321 N C 1.155 176.590 175.510 -0.126 0.000 1.197 1321 N CA 0.007 53.045 53.050 -0.020 0.000 0.927 1321 N CB 0.750 39.283 38.487 0.077 0.000 1.065 1321 N HN 0.697 nan 8.380 nan 0.000 0.461 1322 T N 1.062 115.531 114.554 -0.141 0.000 2.759 1322 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 1322 T C 1.662 176.238 174.700 -0.207 0.000 1.042 1322 T CA 0.746 62.768 62.100 -0.130 0.000 1.140 1322 T CB -0.256 68.547 68.868 -0.109 0.000 0.864 1322 T HN 0.563 nan 8.240 nan 0.000 0.455 1323 I N 0.862 121.216 120.570 -0.360 0.000 2.567 1323 I HA -0.153 4.017 4.170 -0.000 0.000 0.257 1323 I C 2.362 178.177 176.117 -0.503 0.000 1.184 1323 I CA 0.929 61.946 61.300 -0.473 0.000 1.451 1323 I CB -0.117 37.443 38.000 -0.733 0.000 1.089 1323 I HN 0.194 nan 8.210 nan 0.000 0.441 1324 S N 0.151 115.555 115.700 -0.493 0.000 2.496 1324 S HA -0.015 4.455 4.470 -0.000 0.000 0.224 1324 S C 1.799 176.322 174.600 -0.128 0.000 0.996 1324 S CA 0.486 58.491 58.200 -0.325 0.000 0.927 1324 S CB -0.070 63.001 63.200 -0.214 0.000 0.774 1324 S HN 0.468 nan 8.310 nan 0.000 0.524 1325 M N 1.954 121.497 119.600 -0.094 0.000 2.476 1325 M HA 0.086 4.566 4.480 -0.000 0.000 0.262 1325 M C 1.603 177.942 176.300 0.065 0.000 1.111 1325 M CA 0.545 55.857 55.300 0.019 0.000 1.127 1325 M CB -0.376 32.245 32.600 0.035 0.000 1.376 1325 M HN 0.329 nan 8.290 nan 0.000 0.465 1326 N N 1.206 119.879 118.700 -0.046 0.000 2.515 1326 N HA 0.082 4.822 4.740 -0.000 0.000 0.185 1326 N C 0.479 175.827 175.510 -0.269 0.000 1.109 1326 N CA 1.091 54.099 53.050 -0.069 0.000 0.903 1326 N CB 0.161 38.612 38.487 -0.060 0.000 0.969 1326 N HN 0.335 nan 8.380 nan 0.000 0.450 1327 G N -0.306 108.195 108.800 -0.498 0.000 2.347 1327 G HA2 0.166 4.126 3.960 -0.000 0.000 0.303 1327 G HA3 0.166 4.126 3.960 -0.000 0.000 0.303 1327 G C -3.527 170.856 174.900 -0.861 0.000 1.481 1327 G CA -1.011 43.367 45.100 -1.203 0.000 0.914 1327 G HN 0.003 nan 8.290 nan 0.000 0.638 1328 P HA 0.250 nan 4.420 nan 0.000 0.271 1328 P C -0.251 176.880 177.300 -0.282 0.000 1.216 1328 P CA 0.164 63.002 63.100 -0.436 0.000 0.771 1328 P CB 2.001 33.488 31.700 -0.356 0.000 0.864 1329 K N 2.006 122.316 120.400 -0.151 0.000 2.509 1329 K HA 0.149 4.469 4.320 -0.000 0.000 0.205 1329 K C 0.667 177.247 176.600 -0.033 0.000 1.336 1329 K CA -0.185 56.045 56.287 -0.094 0.000 0.912 1329 K CB 0.256 32.702 32.500 -0.091 0.000 1.568 1329 K HN 0.315 nan 8.250 nan 0.000 0.475 1330 R N 1.301 121.804 120.500 0.004 0.000 2.421 1330 R HA 0.090 4.430 4.340 -0.000 0.000 0.305 1330 R C 0.508 176.819 176.300 0.018 0.000 1.039 1330 R CA 0.924 57.043 56.100 0.031 0.000 1.003 1330 R CB 0.211 30.552 30.300 0.069 0.000 0.959 1330 R HN 0.634 nan 8.270 nan 0.000 0.427 1331 G N 1.684 110.496 108.800 0.021 0.000 2.155 1331 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 1331 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 1331 G C 0.078 174.991 174.900 0.022 0.000 0.983 1331 G CA 0.677 45.795 45.100 0.029 0.000 0.676 1331 G HN 0.615 nan 8.290 nan 0.000 0.528 1332 S N -1.009 114.691 115.700 0.000 0.000 2.600 1332 S HA 0.720 5.190 4.470 -0.000 0.000 0.300 1332 S C 0.785 175.380 174.600 -0.008 0.000 1.087 1332 S CA -0.230 57.963 58.200 -0.011 0.000 0.965 1332 S CB 1.161 64.330 63.200 -0.051 0.000 1.089 1332 S HN 0.168 nan 8.310 nan 0.000 0.496 1333 N N 1.364 120.064 118.700 -0.001 0.000 2.171 1333 N HA 0.159 4.899 4.740 -0.000 0.000 0.212 1333 N C -1.038 174.476 175.510 0.006 0.000 1.184 1333 N CA -0.092 52.960 53.050 0.004 0.000 0.888 1333 N CB 0.115 38.610 38.487 0.013 0.000 1.038 1333 N HN 0.556 nan 8.380 nan 0.000 0.517 1334 D N 1.571 121.977 120.400 0.009 0.000 2.478 1334 D HA -0.037 4.603 4.640 -0.000 0.000 0.234 1334 D C 0.661 176.995 176.300 0.056 0.000 1.154 1334 D CA 0.613 54.644 54.000 0.050 0.000 0.874 1334 D CB 1.105 41.987 40.800 0.137 0.000 1.198 1334 D HN 0.022 nan 8.370 nan 0.000 0.455 1335 R N 1.788 122.337 120.500 0.081 0.000 2.346 1335 R HA 0.513 4.853 4.340 -0.000 0.000 0.311 1335 R C -0.760 175.618 176.300 0.130 0.000 0.983 1335 R CA -0.546 55.593 56.100 0.066 0.000 0.880 1335 R CB 0.524 30.845 30.300 0.036 0.000 1.100 1335 R HN 0.411 nan 8.270 nan 0.000 0.453 1336 I N 4.865 125.486 120.570 0.086 0.000 2.378 1336 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 1336 I C -0.768 175.396 176.117 0.079 0.000 0.992 1336 I CA -1.053 60.314 61.300 0.111 0.000 1.154 1336 I CB 1.999 40.012 38.000 0.022 0.000 1.315 1336 I HN 0.311 nan 8.210 nan 0.000 0.448 1337 V N 7.666 127.642 119.914 0.103 0.000 2.531 1337 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 1337 V C -2.363 173.784 176.094 0.088 0.000 1.034 1337 V CA -1.922 60.423 62.300 0.076 0.000 0.865 1337 V CB 2.040 33.906 31.823 0.071 0.000 0.995 1337 V HN 0.551 nan 8.190 nan 0.000 0.424 1338 P HA 0.074 nan 4.420 nan 0.000 0.268 1338 P C -0.682 176.682 177.300 0.108 0.000 1.204 1338 P CA -0.010 63.136 63.100 0.076 0.000 0.768 1338 P CB 0.173 31.897 31.700 0.040 0.000 0.842 1339 Y N 3.599 123.899 120.300 0.001 0.000 2.717 1339 Y HA -0.046 4.504 4.550 -0.000 0.000 0.330 1339 Y C 0.918 176.821 175.900 0.005 0.000 1.217 1339 Y CA 0.368 58.468 58.100 -0.000 0.000 1.506 1339 Y CB 0.406 38.856 38.460 -0.017 0.000 1.268 1339 Y HN 0.451 nan 8.280 nan 0.000 0.561 1340 D N 2.836 122.921 120.400 -0.525 0.000 2.620 1340 D HA 0.236 4.876 4.640 -0.000 0.000 0.260 1340 D C 1.079 177.033 176.300 -0.576 0.000 1.367 1340 D CA 0.316 54.056 54.000 -0.434 0.000 0.805 1340 D CB 0.399 41.085 40.800 -0.189 0.000 1.096 1340 D HN 0.837 nan 8.370 nan 0.000 0.488 1341 G N 0.215 108.302 108.800 -1.188 0.000 2.284 1341 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 1341 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 1341 G C 0.348 175.096 174.900 -0.254 0.000 1.009 1341 G CA 0.140 44.853 45.100 -0.644 0.000 0.625 1341 G HN 0.896 nan 8.290 nan 0.000 0.501 1342 T N -0.283 114.167 114.554 -0.172 0.000 2.841 1342 T HA 0.742 5.092 4.350 -0.000 0.000 0.283 1342 T C -0.216 174.598 174.700 0.190 0.000 1.000 1342 T CA -0.770 61.364 62.100 0.057 0.000 0.977 1342 T CB 2.288 71.172 68.868 0.026 0.000 0.979 1342 T HN 0.526 nan 8.240 nan 0.000 0.446 1343 L N 2.817 124.183 121.223 0.239 0.000 2.260 1343 L HA 0.498 4.838 4.340 -0.000 0.000 0.289 1343 L C 0.153 177.212 176.870 0.315 0.000 1.057 1343 L CA -0.854 54.145 54.840 0.264 0.000 0.811 1343 L CB 0.757 42.908 42.059 0.154 0.000 1.184 1343 L HN 0.542 nan 8.230 nan 0.000 0.429 1344 K N 3.257 123.808 120.400 0.252 0.000 2.098 1344 K HA 0.400 4.720 4.320 -0.000 0.000 0.258 1344 K C -0.406 176.220 176.600 0.044 0.000 0.973 1344 K CA -0.683 55.695 56.287 0.153 0.000 0.898 1344 K CB 1.331 33.874 32.500 0.073 0.000 1.057 1344 K HN 0.392 nan 8.250 nan 0.000 0.447 1345 K N -0.496 119.750 120.400 -0.256 0.000 2.106 1345 K HA 0.605 4.925 4.320 -0.000 0.000 0.246 1345 K C 0.521 176.991 176.600 -0.216 0.000 0.987 1345 K CA -0.471 55.504 56.287 -0.519 0.000 0.904 1345 K CB 1.230 33.113 32.500 -1.029 0.000 1.071 1345 K HN 0.507 nan 8.250 nan 0.000 0.453 1346 G N -0.644 108.077 108.800 -0.132 0.000 2.184 1346 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.264 1346 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.264 1346 G C -0.058 174.778 174.900 -0.107 0.000 0.975 1346 G CA 0.431 45.492 45.100 -0.066 0.000 0.642 1346 G HN 1.193 nan 8.290 nan 0.000 0.536 1347 V N -4.933 114.918 119.914 -0.104 0.000 3.159 1347 V HA 0.867 4.987 4.120 -0.000 0.000 0.308 1347 V C -0.498 175.495 176.094 -0.170 0.000 1.190 1347 V CA -2.295 59.935 62.300 -0.117 0.000 1.037 1347 V CB 1.313 33.133 31.823 -0.004 0.000 1.060 1347 V HN 0.397 nan 8.190 nan 0.000 0.437 1348 W N 1.804 123.083 121.300 -0.034 0.000 2.358 1348 W HA 0.496 5.156 4.660 -0.000 0.000 0.307 1348 W C 0.501 177.041 176.519 0.034 0.000 1.203 1348 W CA -0.154 57.192 57.345 0.003 0.000 1.279 1348 W CB 0.549 29.952 29.460 -0.096 0.000 1.264 1348 W HN 0.534 nan 8.180 nan 0.000 0.474 1349 N N 3.721 122.554 118.700 0.222 0.000 2.521 1349 N HA -0.049 4.691 4.740 -0.000 0.000 0.236 1349 N C -0.623 174.959 175.510 0.120 0.000 1.067 1349 N CA -0.070 53.080 53.050 0.166 0.000 0.939 1349 N CB 0.689 39.260 38.487 0.139 0.000 1.201 1349 N HN 0.410 nan 8.380 nan 0.000 0.511 1350 D N 3.389 123.861 120.400 0.119 0.000 2.346 1350 D HA -0.005 4.635 4.640 -0.000 0.000 0.267 1350 D C 1.008 177.299 176.300 -0.014 0.000 1.320 1350 D CA -0.108 53.923 54.000 0.052 0.000 0.951 1350 D CB 0.693 41.529 40.800 0.059 0.000 1.079 1350 D HN 0.285 nan 8.370 nan 0.000 0.509 1351 M N 2.320 121.786 119.600 -0.223 0.000 2.618 1351 M HA 0.189 4.669 4.480 -0.000 0.000 0.240 1351 M C 1.160 177.429 176.300 -0.051 0.000 1.123 1351 M CA 0.232 55.316 55.300 -0.360 0.000 1.060 1351 M CB -1.022 30.861 32.600 -1.194 0.000 1.535 1351 M HN 0.567 nan 8.290 nan 0.000 0.507 1352 G N 0.165 108.988 108.800 0.038 0.000 2.541 1352 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 1352 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 1352 G C -0.838 174.193 174.900 0.217 0.000 1.286 1352 G CA -1.021 44.142 45.100 0.105 0.000 0.894 1352 G HN 0.144 nan 8.290 nan 0.000 0.575 1353 T N 1.033 115.628 114.554 0.068 0.000 2.794 1353 T HA 0.651 5.000 4.350 -0.000 0.000 0.280 1353 T C -0.897 173.791 174.700 -0.020 0.000 0.987 1353 T CA 0.002 62.179 62.100 0.128 0.000 0.993 1353 T CB 1.000 69.899 68.868 0.051 0.000 0.939 1353 T HN 0.470 nan 8.240 nan 0.000 0.449 1354 Y N 1.795 122.159 120.300 0.107 0.000 2.446 1354 Y HA 0.411 4.961 4.550 -0.000 0.000 0.338 1354 Y C 0.697 176.587 175.900 -0.017 0.000 1.055 1354 Y CA -1.604 56.537 58.100 0.067 0.000 1.101 1354 Y CB 1.066 39.562 38.460 0.061 0.000 1.221 1354 Y HN 0.499 nan 8.280 nan 0.000 0.460 1355 N N 2.407 121.153 118.700 0.078 0.000 2.968 1355 N HA 0.383 5.123 4.740 -0.000 0.000 0.271 1355 N C -1.706 173.776 175.510 -0.048 0.000 1.174 1355 N CA -0.097 52.971 53.050 0.030 0.000 1.096 1355 N CB -0.326 38.189 38.487 0.046 0.000 1.403 1355 N HN 0.451 nan 8.380 nan 0.000 0.522 1356 V N -0.843 119.000 119.914 -0.118 0.000 3.120 1356 V HA 0.583 4.703 4.120 -0.000 0.000 0.303 1356 V C -0.438 175.577 176.094 -0.131 0.000 1.238 1356 V CA -1.289 60.868 62.300 -0.239 0.000 1.008 1356 V CB 1.570 32.999 31.823 -0.658 0.000 1.064 1356 V HN 0.363 nan 8.190 nan 0.000 0.434 1357 D N -0.061 120.289 120.400 -0.083 0.000 2.451 1357 D HA 0.293 4.932 4.640 -0.000 0.000 0.259 1357 D C 0.984 177.297 176.300 0.022 0.000 1.201 1357 D CA 0.064 54.071 54.000 0.011 0.000 1.028 1357 D CB 0.424 41.261 40.800 0.061 0.000 1.095 1357 D HN 0.724 nan 8.370 nan 0.000 0.539 1358 H N -0.997 118.083 119.070 0.016 0.000 2.390 1358 H HA -0.054 4.502 4.556 -0.000 0.000 0.298 1358 H C 1.461 176.815 175.328 0.045 0.000 1.106 1358 H CA 1.929 58.013 56.048 0.061 0.000 1.297 1358 H CB 0.015 29.828 29.762 0.084 0.000 1.375 1358 H HN 0.342 nan 8.280 nan 0.000 0.509 1359 L N -0.730 120.528 121.223 0.057 0.000 2.463 1359 L HA 0.061 4.401 4.340 -0.000 0.000 0.219 1359 L C 1.950 178.735 176.870 -0.142 0.000 1.088 1359 L CA 0.365 55.164 54.840 -0.067 0.000 0.849 1359 L CB -0.018 42.059 42.059 0.030 0.000 1.012 1359 L HN 0.294 nan 8.230 nan 0.000 0.468 1360 E N -0.105 120.029 120.200 -0.110 0.000 2.152 1360 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 1360 E C 2.168 178.653 176.600 -0.192 0.000 0.983 1360 E CA 0.778 57.110 56.400 -0.114 0.000 0.818 1360 E CB 0.075 29.705 29.700 -0.117 0.000 0.758 1360 E HN 0.178 nan 8.360 nan 0.000 0.467 1361 V N 2.087 121.799 119.914 -0.337 0.000 2.867 1361 V HA -0.141 3.979 4.120 -0.000 0.000 0.260 1361 V C 1.764 177.733 176.094 -0.208 0.000 1.099 1361 V CA 1.387 63.441 62.300 -0.410 0.000 1.122 1361 V CB -0.307 31.240 31.823 -0.459 0.000 0.708 1361 V HN 0.321 nan 8.190 nan 0.000 0.490 1362 I N -3.356 116.969 120.570 -0.408 0.000 4.025 1362 I HA 0.550 4.720 4.170 -0.000 0.000 0.336 1362 I C 1.349 177.243 176.117 -0.371 0.000 1.390 1362 I CA 0.559 61.538 61.300 -0.536 0.000 1.099 1362 I CB 0.068 37.326 38.000 -1.237 0.000 1.049 1362 I HN 0.221 nan 8.210 nan 0.000 0.394 1363 G N 1.647 110.347 108.800 -0.166 0.000 2.179 1363 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 1363 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 1363 G C 0.687 175.521 174.900 -0.110 0.000 0.977 1363 G CA 0.456 45.507 45.100 -0.082 0.000 0.641 1363 G HN 0.284 nan 8.290 nan 0.000 0.533 1364 V N -0.014 119.799 119.914 -0.169 0.000 2.626 1364 V HA 0.125 4.245 4.120 -0.000 0.000 0.252 1364 V C 1.115 177.256 176.094 0.079 0.000 1.067 1364 V CA 2.115 64.402 62.300 -0.022 0.000 1.081 1364 V CB 0.039 31.821 31.823 -0.069 0.000 0.686 1364 V HN 0.595 nan 8.190 nan 0.000 0.468 1365 D N -0.418 120.000 120.400 0.029 0.000 2.498 1365 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 1365 D C -2.647 173.690 176.300 0.063 0.000 1.070 1365 D CA -2.115 51.921 54.000 0.060 0.000 0.842 1365 D CB 2.410 43.242 40.800 0.053 0.000 1.361 1365 D HN 0.031 nan 8.370 nan 0.000 0.484 1366 P HA 0.179 nan 4.420 nan 0.000 0.272 1366 P C -0.861 176.493 177.300 0.090 0.000 1.230 1366 P CA -0.310 62.843 63.100 0.087 0.000 0.788 1366 P CB 0.602 32.350 31.700 0.081 0.000 0.949 1367 N N 1.964 120.732 118.700 0.113 0.000 3.354 1367 N HA 0.070 4.810 4.740 -0.000 0.000 0.196 1367 N C -2.116 173.481 175.510 0.145 0.000 1.486 1367 N CA -1.123 52.002 53.050 0.124 0.000 0.768 1367 N CB 0.476 39.043 38.487 0.133 0.000 1.625 1367 N HN 0.120 nan 8.380 nan 0.000 0.636 1368 P HA -0.103 nan 4.420 nan 0.000 0.223 1368 P C 1.043 178.395 177.300 0.086 0.000 1.144 1368 P CA 0.804 63.952 63.100 0.079 0.000 0.783 1368 P CB 0.455 32.190 31.700 0.058 0.000 0.771 1369 S N -1.743 114.026 115.700 0.115 0.000 2.562 1369 S HA -0.007 4.463 4.470 -0.000 0.000 0.221 1369 S C 0.368 175.088 174.600 0.199 0.000 0.975 1369 S CA -0.442 57.833 58.200 0.125 0.000 0.918 1369 S CB -0.735 62.532 63.200 0.112 0.000 0.772 1369 S HN 0.029 nan 8.310 nan 0.000 0.531 1370 F N 3.129 123.096 119.950 0.029 0.000 2.361 1370 F HA 0.523 5.050 4.527 -0.000 0.000 0.364 1370 F C -0.234 175.583 175.800 0.028 0.000 1.117 1370 F CA -1.695 56.321 58.000 0.026 0.000 1.071 1370 F CB 0.687 39.684 39.000 -0.005 0.000 1.188 1370 F HN -0.064 nan 8.300 nan 0.000 0.464 1371 N N 7.328 125.810 118.700 -0.364 0.000 2.739 1371 N HA 0.003 4.743 4.740 -0.000 0.000 0.266 1371 N C 1.360 176.419 175.510 -0.752 0.000 1.168 1371 N CA 0.263 53.071 53.050 -0.403 0.000 1.055 1371 N CB -0.046 38.321 38.487 -0.200 0.000 1.393 1371 N HN 0.980 nan 8.380 nan 0.000 0.514 1372 I N 2.290 122.353 120.570 -0.844 0.000 2.361 1372 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 1372 I C 2.336 178.438 176.117 -0.026 0.000 1.133 1372 I CA 0.984 61.921 61.300 -0.605 0.000 1.413 1372 I CB 0.133 38.103 38.000 -0.050 0.000 1.073 1372 I HN 0.449 nan 8.210 nan 0.000 0.424 1373 R N 0.692 121.057 120.500 -0.225 0.000 2.066 1373 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 1373 R C 2.327 178.533 176.300 -0.157 0.000 1.131 1373 R CA 1.585 57.457 56.100 -0.379 0.000 0.955 1373 R CB -0.361 29.437 30.300 -0.836 0.000 0.851 1373 R HN 0.464 nan 8.270 nan 0.000 0.432 1374 A N 0.328 123.036 122.820 -0.188 0.000 1.902 1374 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 1374 A C 1.996 179.517 177.584 -0.104 0.000 1.181 1374 A CA 1.313 53.270 52.037 -0.132 0.000 0.623 1374 A CB -0.819 18.109 19.000 -0.119 0.000 0.818 1374 A HN 0.527 nan 8.150 nan 0.000 0.443 1375 F N -0.543 119.241 119.950 -0.277 0.000 2.065 1375 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 1375 F C 2.130 177.675 175.800 -0.424 0.000 1.112 1375 F CA 2.140 59.923 58.000 -0.361 0.000 1.212 1375 F CB -0.429 38.282 39.000 -0.481 0.000 0.975 1375 F HN 0.320 nan 8.300 nan 0.000 0.476 1376 Y N -0.206 120.089 120.300 -0.007 0.000 2.314 1376 Y HA -0.094 4.456 4.550 -0.000 0.000 0.293 1376 Y C 2.306 178.063 175.900 -0.238 0.000 1.129 1376 Y CA 1.074 59.107 58.100 -0.112 0.000 1.201 1376 Y CB -0.461 38.052 38.460 0.088 0.000 0.999 1376 Y HN 0.057 nan 8.280 nan 0.000 0.541 1377 L N -0.384 120.798 121.223 -0.069 0.000 2.093 1377 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 1377 L C 2.661 179.375 176.870 -0.260 0.000 1.085 1377 L CA 1.212 55.945 54.840 -0.179 0.000 0.755 1377 L CB -0.372 41.627 42.059 -0.100 0.000 0.904 1377 L HN 0.157 nan 8.230 nan 0.000 0.435 1378 R N 0.273 120.627 120.500 -0.245 0.000 2.075 1378 R HA -0.204 4.136 4.340 -0.000 0.000 0.232 1378 R C 2.327 178.448 176.300 -0.298 0.000 1.126 1378 R CA 1.408 57.367 56.100 -0.235 0.000 0.963 1378 R CB -0.206 29.961 30.300 -0.223 0.000 0.858 1378 R HN 0.195 nan 8.270 nan 0.000 0.435 1379 L N 0.806 121.777 121.223 -0.420 0.000 2.017 1379 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 1379 L C 2.263 178.920 176.870 -0.355 0.000 1.073 1379 L CA 2.194 56.793 54.840 -0.402 0.000 0.745 1379 L CB -0.800 40.924 42.059 -0.558 0.000 0.894 1379 L HN 0.220 nan 8.230 nan 0.000 0.432 1380 A N -0.960 121.597 122.820 -0.439 0.000 1.978 1380 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 1380 A C 2.329 179.583 177.584 -0.551 0.000 1.170 1380 A CA 1.858 53.516 52.037 -0.632 0.000 0.636 1380 A CB -0.712 17.625 19.000 -1.106 0.000 0.810 1380 A HN 0.648 nan 8.150 nan 0.000 0.448 1381 E N -0.452 119.511 120.200 -0.396 0.000 2.106 1381 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 1381 E C 2.176 178.715 176.600 -0.102 0.000 0.984 1381 E CA 1.174 57.502 56.400 -0.120 0.000 0.806 1381 E CB -0.096 29.561 29.700 -0.072 0.000 0.750 1381 E HN 0.795 nan 8.360 nan 0.000 0.458 1382 Q N 0.065 119.766 119.800 -0.165 0.000 2.083 1382 Q HA -0.108 4.232 4.340 -0.000 0.000 0.198 1382 Q C 2.411 178.292 176.000 -0.198 0.000 0.969 1382 Q CA 0.987 56.699 55.803 -0.151 0.000 0.838 1382 Q CB -0.006 28.630 28.738 -0.170 0.000 0.900 1382 Q HN 0.334 nan 8.270 nan 0.000 0.436 1383 L N 0.370 121.423 121.223 -0.283 0.000 2.083 1383 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 1383 L C 2.425 179.083 176.870 -0.352 0.000 1.083 1383 L CA 0.906 55.476 54.840 -0.450 0.000 0.752 1383 L CB -0.576 41.037 42.059 -0.744 0.000 0.899 1383 L HN 0.191 nan 8.230 nan 0.000 0.433 1384 A N -0.194 122.522 122.820 -0.173 0.000 2.172 1384 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 1384 A C 2.373 179.956 177.584 -0.003 0.000 1.154 1384 A CA 1.505 53.548 52.037 0.009 0.000 0.701 1384 A CB -0.441 18.668 19.000 0.182 0.000 0.789 1384 A HN 0.516 nan 8.150 nan 0.000 0.465 1385 S N -0.873 114.794 115.700 -0.055 0.000 2.548 1385 S HA 0.304 4.774 4.470 -0.000 0.000 0.215 1385 S C 0.501 175.050 174.600 -0.086 0.000 0.976 1385 S CA -0.432 57.739 58.200 -0.048 0.000 0.908 1385 S CB -0.527 62.648 63.200 -0.041 0.000 0.781 1385 S HN 0.362 nan 8.310 nan 0.000 0.519 1386 L N 2.108 123.239 121.223 -0.154 0.000 2.461 1386 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 1386 L C 0.415 177.219 176.870 -0.110 0.000 1.197 1386 L CA -0.330 54.335 54.840 -0.292 0.000 0.836 1386 L CB 0.346 42.080 42.059 -0.541 0.000 1.105 1386 L HN 0.130 nan 8.230 nan 0.000 0.477 1387 R N 3.311 123.788 120.500 -0.039 0.000 2.265 1387 R HA 0.350 4.690 4.340 -0.000 0.000 0.319 1387 R C -2.074 174.318 176.300 0.154 0.000 1.006 1387 R CA -1.440 54.704 56.100 0.074 0.000 0.880 1387 R CB 0.520 30.880 30.300 0.099 0.000 1.077 1387 R HN 0.433 nan 8.270 nan 0.000 0.454 1388 P HA 0.000 nan 4.420 nan 0.000 0.216 1388 P CA 0.000 63.158 63.100 0.097 0.000 0.800 1388 P CB 0.000 31.728 31.700 0.047 0.000 0.726