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 1u2e_1_B DATA FIRST_RESID 999 DATA SEQUENCE YQPQTEAATS RFLNVEEAGK TLRIHFNDCG QGDETVVLLH GSGPGATGWA DATA SEQUENCE NFSRNIDPLV EAGYRVILLD CPGWGKSDSV VNSGSRSDLN ARILKSVVDQ DATA SEQUENCE LDIAKIHLLG NSMGGHSSVA FTLKWPERVG KLVLMGGGTG GMSLFTPMPT DATA SEQUENCE EGIKRLNQLY RQPTIENLKL MMDIFVFDTS DLTDALFEAR LNNMLSRRDH DATA SEQUENCE LENFVKSLEA NPKQFPDFGP RLAEIKAQTL IVWGRNDRFV PMDAGLRLLS DATA SEQUENCE GIAGSELHIF RDCGHWAQWE HADAFNQLVL NFLARP 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 999 Y HA 0.000 nan 4.550 nan 0.000 0.201 999 Y C 0.000 175.915 175.900 0.025 0.000 1.272 999 Y CA 0.000 58.111 58.100 0.019 0.000 1.940 999 Y CB 0.000 38.470 38.460 0.016 0.000 1.050 1000 Q N 7.381 126.781 119.800 -0.667 0.000 2.312 1000 Q HA 0.550 4.890 4.340 -0.000 0.000 0.263 1000 Q C -2.524 173.123 176.000 -0.588 0.000 0.995 1000 Q CA -2.106 53.451 55.803 -0.411 0.000 0.853 1000 Q CB 1.747 30.355 28.738 -0.218 0.000 1.300 1000 Q HN 0.408 nan 8.270 nan 0.000 0.448 1001 P HA -0.107 nan 4.420 nan 0.000 0.267 1001 P C -0.624 176.702 177.300 0.043 0.000 1.201 1001 P CA -0.176 62.952 63.100 0.047 0.000 0.775 1001 P CB 0.760 32.542 31.700 0.137 0.000 0.854 1002 Q N 0.717 120.627 119.800 0.184 0.000 2.417 1002 Q HA 0.353 4.693 4.340 -0.000 0.000 0.241 1002 Q C 0.192 176.448 176.000 0.427 0.000 1.008 1002 Q CA 0.446 56.420 55.803 0.284 0.000 0.901 1002 Q CB 0.288 29.260 28.738 0.390 0.000 1.259 1002 Q HN 0.618 nan 8.270 nan 0.000 0.489 1003 T N -1.968 112.748 114.554 0.269 0.000 2.900 1003 T HA 0.298 4.648 4.350 -0.000 0.000 0.295 1003 T C 0.528 174.890 174.700 -0.564 0.000 1.044 1003 T CA -0.875 61.208 62.100 -0.028 0.000 0.995 1003 T CB 1.474 70.306 68.868 -0.061 0.000 1.072 1003 T HN 0.577 nan 8.240 nan 0.000 0.473 1004 E N 1.789 121.216 120.200 -1.289 0.000 2.051 1004 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 1004 E C 2.172 178.454 176.600 -0.529 0.000 0.991 1004 E CA 1.903 57.482 56.400 -1.368 0.000 0.799 1004 E CB -0.696 28.170 29.700 -1.390 0.000 0.748 1004 E HN 0.839 nan 8.360 nan 0.000 0.449 1005 A N 1.500 124.104 122.820 -0.361 0.000 1.859 1005 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 1005 A C 2.512 180.018 177.584 -0.130 0.000 1.198 1005 A CA 2.982 54.908 52.037 -0.185 0.000 0.629 1005 A CB -1.071 17.849 19.000 -0.132 0.000 0.830 1005 A HN 0.396 nan 8.150 nan 0.000 0.446 1006 A N -0.836 121.913 122.820 -0.118 0.000 1.969 1006 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 1006 A C 2.287 179.834 177.584 -0.062 0.000 1.169 1006 A CA 2.354 54.351 52.037 -0.068 0.000 0.635 1006 A CB -1.156 17.818 19.000 -0.043 0.000 0.810 1006 A HN 0.819 nan 8.150 nan 0.000 0.445 1007 T N -2.982 111.527 114.554 -0.076 0.000 3.081 1007 T HA 0.160 4.510 4.350 -0.000 0.000 0.255 1007 T C 0.975 175.588 174.700 -0.144 0.000 1.113 1007 T CA 0.599 62.671 62.100 -0.046 0.000 1.082 1007 T CB -0.421 68.498 68.868 0.083 0.000 0.939 1007 T HN 0.240 nan 8.240 nan 0.000 0.506 1008 S N 1.350 116.953 115.700 -0.162 0.000 2.546 1008 S HA 0.309 4.779 4.470 -0.000 0.000 0.290 1008 S C 0.025 174.413 174.600 -0.352 0.000 1.290 1008 S CA -0.348 57.723 58.200 -0.216 0.000 1.069 1008 S CB 0.053 63.236 63.200 -0.029 0.000 0.846 1008 S HN 0.531 nan 8.310 nan 0.000 0.495 1009 R N 1.894 121.944 120.500 -0.750 0.000 2.817 1009 R HA 0.633 4.973 4.340 -0.000 0.000 0.268 1009 R C -1.620 174.145 176.300 -0.891 0.000 1.027 1009 R CA -0.652 55.015 56.100 -0.723 0.000 0.928 1009 R CB 1.260 31.005 30.300 -0.924 0.000 1.228 1009 R HN 0.568 nan 8.270 nan 0.000 0.469 1010 F N 0.369 120.218 119.950 -0.169 0.000 2.613 1010 F HA 0.672 5.199 4.527 -0.000 0.000 0.314 1010 F C -0.992 174.940 175.800 0.221 0.000 1.075 1010 F CA -0.807 57.245 58.000 0.085 0.000 0.945 1010 F CB 1.885 40.950 39.000 0.108 0.000 1.310 1010 F HN 0.137 nan 8.300 nan 0.000 0.467 1011 L N 1.810 123.333 121.223 0.499 0.000 2.672 1011 L HA 0.408 4.748 4.340 -0.000 0.000 0.256 1011 L C -1.523 175.504 176.870 0.261 0.000 0.946 1011 L CA -0.591 54.453 54.840 0.340 0.000 0.889 1011 L CB 2.194 44.456 42.059 0.337 0.000 1.441 1011 L HN 0.508 nan 8.230 nan 0.000 0.418 1012 N N 0.835 119.640 118.700 0.175 0.000 2.456 1012 N HA 0.760 5.500 4.740 -0.000 0.000 0.288 1012 N C -1.217 174.357 175.510 0.107 0.000 1.059 1012 N CA -0.290 52.842 53.050 0.137 0.000 0.946 1012 N CB 1.956 40.503 38.487 0.100 0.000 1.150 1012 N HN 0.274 nan 8.380 nan 0.000 0.479 1013 V N 0.700 120.677 119.914 0.105 0.000 2.735 1013 V HA 0.321 4.441 4.120 -0.000 0.000 0.310 1013 V C -0.107 176.032 176.094 0.075 0.000 1.061 1013 V CA -0.954 61.395 62.300 0.082 0.000 0.913 1013 V CB 1.895 33.772 31.823 0.090 0.000 1.005 1013 V HN 0.644 nan 8.190 nan 0.000 0.428 1014 E N 3.033 123.269 120.200 0.060 0.000 2.105 1014 E HA 0.395 4.745 4.350 -0.000 0.000 0.285 1014 E C -0.788 175.850 176.600 0.062 0.000 1.055 1014 E CA -0.285 56.148 56.400 0.055 0.000 0.843 1014 E CB 0.779 30.505 29.700 0.043 0.000 1.067 1014 E HN 0.675 nan 8.360 nan 0.000 0.398 1015 E N 3.917 124.158 120.200 0.067 0.000 2.316 1015 E HA 0.403 4.753 4.350 -0.000 0.000 0.254 1015 E C -1.200 175.436 176.600 0.060 0.000 0.902 1015 E CA -0.089 56.354 56.400 0.072 0.000 0.801 1015 E CB 1.131 30.884 29.700 0.088 0.000 1.270 1015 E HN 0.638 nan 8.360 nan 0.000 0.414 1016 A N 3.639 126.491 122.820 0.053 0.000 2.546 1016 A HA 0.098 4.418 4.320 -0.000 0.000 0.295 1016 A C 1.437 179.043 177.584 0.037 0.000 1.455 1016 A CA 1.402 53.465 52.037 0.042 0.000 0.730 1016 A CB -2.235 16.789 19.000 0.040 0.000 1.111 1016 A HN 2.004 nan 8.150 nan 0.000 0.411 1017 G N -0.621 108.200 108.800 0.035 0.000 2.300 1017 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.267 1017 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.267 1017 G C 0.451 175.370 174.900 0.032 0.000 0.980 1017 G CA 2.146 47.264 45.100 0.030 0.000 0.635 1017 G HN 1.603 nan 8.290 nan 0.000 0.552 1018 K N -0.183 120.239 120.400 0.037 0.000 2.210 1018 K HA 0.646 4.966 4.320 -0.000 0.000 0.236 1018 K C -0.749 175.880 176.600 0.048 0.000 1.016 1018 K CA -0.243 56.068 56.287 0.039 0.000 0.913 1018 K CB 1.116 33.640 32.500 0.040 0.000 1.141 1018 K HN 0.013 nan 8.250 nan 0.000 0.462 1019 T N 2.656 117.240 114.554 0.049 0.000 2.809 1019 T HA 0.363 4.713 4.350 -0.000 0.000 0.284 1019 T C -0.972 173.770 174.700 0.070 0.000 0.992 1019 T CA -0.785 61.350 62.100 0.058 0.000 0.957 1019 T CB 0.357 69.254 68.868 0.050 0.000 0.942 1019 T HN 0.467 nan 8.240 nan 0.000 0.439 1020 L N 1.297 122.575 121.223 0.091 0.000 2.362 1020 L HA 0.727 5.067 4.340 -0.000 0.000 0.271 1020 L C -0.088 176.870 176.870 0.147 0.000 1.002 1020 L CA -1.246 53.662 54.840 0.113 0.000 0.818 1020 L CB 1.935 44.070 42.059 0.126 0.000 1.298 1020 L HN 0.431 nan 8.230 nan 0.000 0.420 1021 R N 3.512 124.109 120.500 0.162 0.000 2.288 1021 R HA 0.418 4.758 4.340 -0.000 0.000 0.330 1021 R C -0.910 175.592 176.300 0.338 0.000 1.069 1021 R CA -0.471 55.763 56.100 0.224 0.000 0.941 1021 R CB 0.480 30.872 30.300 0.153 0.000 0.998 1021 R HN 0.583 nan 8.270 nan 0.000 0.452 1022 I N 4.780 125.576 120.570 0.376 0.000 2.359 1022 I HA 0.200 4.370 4.170 -0.000 0.000 0.294 1022 I C 0.398 176.816 176.117 0.501 0.000 0.987 1022 I CA -0.498 61.041 61.300 0.398 0.000 1.225 1022 I CB 1.199 39.369 38.000 0.284 0.000 1.366 1022 I HN 0.616 nan 8.210 nan 0.000 0.466 1023 H N 7.497 126.754 119.070 0.311 0.000 2.499 1023 H HA 0.654 5.210 4.556 -0.000 0.000 0.340 1023 H C -1.587 173.872 175.328 0.218 0.000 1.148 1023 H CA -0.333 55.711 56.048 -0.006 0.000 1.215 1023 H CB 2.020 31.645 29.762 -0.228 0.000 1.529 1023 H HN 0.463 nan 8.280 nan 0.000 0.510 1024 F N 0.651 120.030 119.950 -0.952 0.000 2.725 1024 F HA 0.333 4.860 4.527 0.000 0.000 0.309 1024 F C -2.061 173.411 175.800 -0.546 0.000 1.132 1024 F CA -1.204 56.500 58.000 -0.494 0.000 0.957 1024 F CB 0.503 39.400 39.000 -0.171 0.000 1.286 1024 F HN 0.336 nan 8.300 nan 0.000 0.440 1025 N N 1.229 119.829 118.700 -0.166 0.000 2.421 1025 N HA 0.365 5.105 4.740 -0.000 0.000 0.285 1025 N C -1.853 173.693 175.510 0.061 0.000 1.027 1025 N CA -0.587 52.400 53.050 -0.105 0.000 0.918 1025 N CB 1.237 39.867 38.487 0.239 0.000 1.152 1025 N HN 0.627 nan 8.380 nan 0.000 0.485 1026 D N 1.551 121.940 120.400 -0.018 0.000 2.349 1026 D HA 0.401 5.041 4.640 -0.000 0.000 0.232 1026 D C -1.039 175.325 176.300 0.106 0.000 1.071 1026 D CA -0.319 53.740 54.000 0.099 0.000 0.832 1026 D CB 0.646 41.493 40.800 0.080 0.000 1.086 1026 D HN 0.423 nan 8.370 nan 0.000 0.504 1027 C N 2.276 121.660 119.300 0.139 0.000 2.561 1027 C HA 0.963 5.423 4.460 -0.000 0.000 0.319 1027 C C 1.006 176.073 174.990 0.129 0.000 1.198 1027 C CA -0.093 59.013 59.018 0.148 0.000 1.665 1027 C CB 0.696 28.546 27.740 0.184 0.000 2.258 1027 C HN 0.885 nan 8.230 nan 0.000 0.493 1028 G N 2.492 111.368 108.800 0.127 0.000 2.601 1028 G HA2 0.162 4.122 3.960 -0.000 0.000 0.252 1028 G HA3 0.162 4.122 3.960 -0.000 0.000 0.252 1028 G C -0.887 174.065 174.900 0.088 0.000 1.294 1028 G CA 0.652 45.821 45.100 0.115 0.000 0.912 1028 G HN 1.287 nan 8.290 nan 0.000 0.574 1029 Q N -1.233 118.612 119.800 0.074 0.000 2.869 1029 Q HA 0.644 4.984 4.340 -0.000 0.000 0.322 1029 Q C 0.274 176.301 176.000 0.045 0.000 0.832 1029 Q CA 0.640 56.478 55.803 0.059 0.000 0.791 1029 Q CB 0.898 29.665 28.738 0.048 0.000 1.412 1029 Q HN 2.993 nan 8.270 nan 0.000 0.483 1030 G N 0.179 109.000 108.800 0.035 0.000 2.603 1030 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 1030 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 1030 G C -0.477 174.439 174.900 0.027 0.000 1.286 1030 G CA 0.091 45.205 45.100 0.023 0.000 0.871 1030 G HN 0.532 nan 8.290 nan 0.000 0.568 1031 D N 0.174 120.585 120.400 0.017 0.000 2.120 1031 D HA 0.009 4.649 4.640 -0.000 0.000 0.202 1031 D C 1.356 177.668 176.300 0.020 0.000 0.972 1031 D CA 1.333 55.341 54.000 0.013 0.000 0.837 1031 D CB 0.012 40.814 40.800 0.003 0.000 0.989 1031 D HN 0.653 nan 8.370 nan 0.000 0.469 1032 E N 1.194 121.418 120.200 0.040 0.000 2.341 1032 E HA 0.049 4.399 4.350 -0.000 0.000 0.256 1032 E C -0.893 175.804 176.600 0.161 0.000 1.125 1032 E CA 0.334 56.790 56.400 0.094 0.000 0.939 1032 E CB 0.223 30.015 29.700 0.154 0.000 0.991 1032 E HN -0.120 nan 8.360 nan 0.000 0.458 1033 T N 3.055 117.655 114.554 0.076 0.000 2.908 1033 T HA 0.508 4.858 4.350 -0.000 0.000 0.290 1033 T C -0.885 173.840 174.700 0.042 0.000 1.034 1033 T CA -0.786 61.360 62.100 0.076 0.000 1.010 1033 T CB 1.646 70.518 68.868 0.005 0.000 1.068 1033 T HN 0.194 nan 8.240 nan 0.000 0.481 1034 V N 2.513 122.448 119.914 0.035 0.000 2.407 1034 V HA 0.418 4.538 4.120 -0.000 0.000 0.291 1034 V C -0.330 175.713 176.094 -0.086 0.000 1.018 1034 V CA -0.800 61.478 62.300 -0.037 0.000 0.842 1034 V CB 1.670 33.407 31.823 -0.144 0.000 0.996 1034 V HN 0.736 nan 8.190 nan 0.000 0.426 1035 V N 6.435 126.276 119.914 -0.122 0.000 2.407 1035 V HA 0.448 4.568 4.120 -0.000 0.000 0.278 1035 V C -0.381 175.588 176.094 -0.209 0.000 1.037 1035 V CA -0.501 61.706 62.300 -0.155 0.000 0.900 1035 V CB 1.530 33.235 31.823 -0.197 0.000 0.983 1035 V HN 0.549 nan 8.190 nan 0.000 0.459 1036 L N 6.617 127.678 121.223 -0.271 0.000 2.287 1036 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 1036 L C -0.312 176.433 176.870 -0.209 0.000 1.022 1036 L CA -0.049 54.477 54.840 -0.523 0.000 0.814 1036 L CB 1.381 42.787 42.059 -1.087 0.000 1.217 1036 L HN 0.442 nan 8.230 nan 0.000 0.420 1037 L N 3.875 125.083 121.223 -0.024 0.000 2.316 1037 L HA 0.416 4.756 4.340 -0.000 0.000 0.280 1037 L C 0.006 176.999 176.870 0.206 0.000 1.006 1037 L CA -1.066 53.810 54.840 0.061 0.000 0.836 1037 L CB 1.072 43.101 42.059 -0.050 0.000 1.221 1037 L HN 0.705 nan 8.230 nan 0.000 0.418 1038 H N 1.190 120.434 119.070 0.290 0.000 2.830 1038 H HA 0.410 4.966 4.556 -0.000 0.000 0.382 1038 H C 0.579 175.815 175.328 -0.154 0.000 1.423 1038 H CA -0.031 56.047 56.048 0.050 0.000 1.464 1038 H CB 0.341 30.084 29.762 -0.032 0.000 1.495 1038 H HN 0.555 nan 8.280 nan 0.000 0.617 1039 G N -1.179 107.563 108.800 -0.096 0.000 2.525 1039 G HA2 0.294 4.254 3.960 -0.000 0.000 0.287 1039 G HA3 0.294 4.254 3.960 -0.000 0.000 0.287 1039 G C 0.416 175.203 174.900 -0.189 0.000 1.350 1039 G CA -0.400 44.617 45.100 -0.139 0.000 1.039 1039 G HN 0.909 nan 8.290 nan 0.000 0.513 1040 S N -1.111 114.570 115.700 -0.031 0.000 2.597 1040 S HA 0.312 4.782 4.470 -0.000 0.000 0.224 1040 S C 1.130 176.034 174.600 0.506 0.000 0.955 1040 S CA 0.136 58.466 58.200 0.217 0.000 0.933 1040 S CB -0.154 63.384 63.200 0.565 0.000 0.788 1040 S HN 0.885 nan 8.310 nan 0.000 0.488 1041 G N 2.263 111.171 108.800 0.180 0.000 2.554 1041 G HA2 0.411 4.371 3.960 -0.000 0.000 0.238 1041 G HA3 0.411 4.371 3.960 -0.000 0.000 0.238 1041 G C -3.013 171.903 174.900 0.026 0.000 1.259 1041 G CA -1.297 43.807 45.100 0.007 0.000 0.843 1041 G HN 0.247 nan 8.290 nan 0.000 0.582 1042 P HA 0.245 nan 4.420 nan 0.000 0.270 1042 P C 0.802 177.892 177.300 -0.349 0.000 1.242 1042 P CA 1.218 63.859 63.100 -0.765 0.000 0.768 1042 P CB 1.045 32.014 31.700 -1.218 0.000 0.820 1043 G N 2.569 111.281 108.800 -0.146 0.000 2.141 1043 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.242 1043 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.242 1043 G C 0.407 175.279 174.900 -0.046 0.000 0.982 1043 G CA -0.101 44.945 45.100 -0.091 0.000 0.662 1043 G HN 0.804 nan 8.290 nan 0.000 0.527 1044 A N 0.065 122.909 122.820 0.039 0.000 2.407 1044 A HA 0.818 5.138 4.320 -0.000 0.000 0.248 1044 A C 0.787 178.287 177.584 -0.141 0.000 1.082 1044 A CA 1.259 53.237 52.037 -0.099 0.000 0.785 1044 A CB 0.507 19.411 19.000 -0.160 0.000 1.020 1044 A HN 1.905 nan 8.150 nan 0.000 0.489 1045 T N -1.473 112.978 114.554 -0.172 0.000 2.883 1045 T HA 0.575 4.925 4.350 -0.000 0.000 0.301 1045 T C 1.090 175.807 174.700 0.029 0.000 1.158 1045 T CA -0.063 61.955 62.100 -0.136 0.000 1.007 1045 T CB 1.296 70.205 68.868 0.068 0.000 1.186 1045 T HN 1.080 nan 8.240 nan 0.000 0.499 1046 G N -0.063 108.865 108.800 0.213 0.000 2.440 1046 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 1046 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 1046 G C 1.094 176.277 174.900 0.472 0.000 1.154 1046 G CA 0.578 45.959 45.100 0.468 0.000 0.767 1046 G HN 0.785 nan 8.290 nan 0.000 0.552 1047 W N 1.672 123.123 121.300 0.250 0.000 2.388 1047 W HA 0.031 4.691 4.660 0.000 0.000 0.294 1047 W C 2.553 179.208 176.519 0.226 0.000 1.212 1047 W CA 1.639 59.125 57.345 0.235 0.000 1.271 1047 W CB -0.268 29.296 29.460 0.173 0.000 1.126 1047 W HN 0.321 nan 8.180 nan 0.000 0.535 1048 A N 0.535 123.571 122.820 0.360 0.000 1.898 1048 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 1048 A C 1.864 179.584 177.584 0.227 0.000 1.181 1048 A CA 1.693 53.880 52.037 0.249 0.000 0.620 1048 A CB -1.262 17.806 19.000 0.113 0.000 0.819 1048 A HN 0.440 nan 8.150 nan 0.000 0.442 1049 N N -1.479 117.292 118.700 0.118 0.000 2.120 1049 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 1049 N C 0.397 175.929 175.510 0.037 0.000 1.024 1049 N CA 1.417 54.478 53.050 0.018 0.000 0.852 1049 N CB -0.142 38.114 38.487 -0.385 0.000 1.003 1049 N HN 0.491 nan 8.380 nan 0.000 0.424 1050 F N 0.077 120.155 119.950 0.213 0.000 2.647 1050 F HA 0.187 4.714 4.527 -0.000 0.000 0.300 1050 F C 1.974 177.728 175.800 -0.077 0.000 1.106 1050 F CA -0.409 57.642 58.000 0.083 0.000 1.313 1050 F CB 0.066 39.083 39.000 0.028 0.000 1.007 1050 F HN -0.043 nan 8.300 nan 0.000 0.536 1051 S N 0.739 116.467 115.700 0.046 0.000 2.392 1051 S HA -0.290 4.180 4.470 -0.000 0.000 0.232 1051 S C 1.872 176.437 174.600 -0.057 0.000 1.041 1051 S CA 1.322 59.444 58.200 -0.129 0.000 1.026 1051 S CB -0.452 62.813 63.200 0.108 0.000 0.845 1051 S HN 0.499 nan 8.310 nan 0.000 0.465 1052 R N 1.394 121.897 120.500 0.004 0.000 2.310 1052 R HA 0.232 4.572 4.340 -0.000 0.000 0.202 1052 R C 0.372 176.659 176.300 -0.022 0.000 0.933 1052 R CA 0.775 56.826 56.100 -0.082 0.000 1.054 1052 R CB -0.269 29.868 30.300 -0.271 0.000 0.985 1052 R HN 0.656 nan 8.270 nan 0.000 0.489 1053 N N -0.685 118.048 118.700 0.056 0.000 2.159 1053 N HA 0.156 4.896 4.740 -0.000 0.000 0.217 1053 N C 0.991 176.530 175.510 0.049 0.000 1.223 1053 N CA -0.100 53.021 53.050 0.119 0.000 0.896 1053 N CB 0.545 39.222 38.487 0.317 0.000 1.064 1053 N HN 0.027 nan 8.380 nan 0.000 0.518 1054 I N 0.934 121.488 120.570 -0.027 0.000 2.162 1054 I HA -0.167 4.003 4.170 -0.000 0.000 0.238 1054 I C 1.522 177.646 176.117 0.013 0.000 1.076 1054 I CA 1.198 62.461 61.300 -0.063 0.000 1.353 1054 I CB -0.118 37.741 38.000 -0.235 0.000 1.063 1054 I HN 0.086 nan 8.210 nan 0.000 0.408 1055 D N 1.001 121.427 120.400 0.043 0.000 2.133 1055 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 1055 D C -0.414 175.892 176.300 0.009 0.000 0.997 1055 D CA 1.666 55.730 54.000 0.107 0.000 0.840 1055 D CB -1.634 39.269 40.800 0.171 0.000 0.947 1055 D HN 0.260 nan 8.370 nan 0.000 0.452 1056 P HA -0.108 nan 4.420 nan 0.000 0.216 1056 P C 1.686 178.988 177.300 0.002 0.000 1.153 1056 P CA 0.660 63.742 63.100 -0.029 0.000 0.858 1056 P CB 0.099 31.790 31.700 -0.015 0.000 0.789 1057 L N -1.073 120.176 121.223 0.043 0.000 2.027 1057 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 1057 L C 2.379 179.356 176.870 0.178 0.000 1.074 1057 L CA 1.769 56.690 54.840 0.136 0.000 0.745 1057 L CB -1.659 40.438 42.059 0.063 0.000 0.898 1057 L HN -0.083 nan 8.230 nan 0.000 0.433 1058 V N -0.210 119.767 119.914 0.105 0.000 2.261 1058 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 1058 V C 2.428 178.519 176.094 -0.005 0.000 1.047 1058 V CA 1.483 63.847 62.300 0.106 0.000 1.015 1058 V CB -0.552 31.384 31.823 0.187 0.000 0.642 1058 V HN 0.447 nan 8.190 nan 0.000 0.446 1059 E N 0.163 120.264 120.200 -0.166 0.000 2.209 1059 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 1059 E C 2.091 178.576 176.600 -0.191 0.000 0.993 1059 E CA 1.212 57.402 56.400 -0.350 0.000 0.819 1059 E CB -0.230 29.142 29.700 -0.547 0.000 0.745 1059 E HN 0.615 nan 8.360 nan 0.000 0.477 1060 A N -0.015 122.737 122.820 -0.112 0.000 2.208 1060 A HA 0.212 4.532 4.320 -0.000 0.000 0.209 1060 A C 1.591 179.005 177.584 -0.282 0.000 1.161 1060 A CA 0.889 52.848 52.037 -0.130 0.000 0.782 1060 A CB 0.000 19.001 19.000 0.002 0.000 0.816 1060 A HN 0.320 nan 8.150 nan 0.000 0.477 1061 G N -2.533 106.129 108.800 -0.230 0.000 2.138 1061 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.193 1061 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.193 1061 G C -0.277 174.421 174.900 -0.336 0.000 0.998 1061 G CA -0.018 44.918 45.100 -0.273 0.000 0.668 1061 G HN 0.348 nan 8.290 nan 0.000 0.516 1062 Y N -0.019 120.286 120.300 0.009 0.000 2.387 1062 Y HA 0.672 5.222 4.550 -0.000 0.000 0.330 1062 Y C 0.908 176.828 175.900 0.033 0.000 1.133 1062 Y CA -1.112 57.003 58.100 0.025 0.000 1.152 1062 Y CB 1.012 39.486 38.460 0.024 0.000 1.215 1062 Y HN 0.199 nan 8.280 nan 0.000 0.466 1063 R N 1.874 122.495 120.500 0.203 0.000 2.340 1063 R HA 0.576 4.916 4.340 -0.000 0.000 0.300 1063 R C -1.691 174.688 176.300 0.132 0.000 1.069 1063 R CA -0.291 55.889 56.100 0.134 0.000 0.984 1063 R CB 0.442 30.801 30.300 0.097 0.000 1.003 1063 R HN 0.566 nan 8.270 nan 0.000 0.459 1064 V N 6.991 126.972 119.914 0.112 0.000 2.448 1064 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 1064 V C -0.099 176.045 176.094 0.083 0.000 1.025 1064 V CA -0.658 61.685 62.300 0.072 0.000 0.859 1064 V CB 1.726 33.583 31.823 0.056 0.000 0.988 1064 V HN 0.701 nan 8.190 nan 0.000 0.431 1065 I N 5.909 126.510 120.570 0.052 0.000 2.410 1065 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 1065 I C -1.124 175.035 176.117 0.071 0.000 1.009 1065 I CA -0.547 60.820 61.300 0.112 0.000 1.111 1065 I CB 1.896 39.951 38.000 0.092 0.000 1.262 1065 I HN 0.405 nan 8.210 nan 0.000 0.443 1066 L N 7.395 128.710 121.223 0.152 0.000 2.297 1066 L HA 0.379 4.718 4.340 -0.000 0.000 0.277 1066 L C -0.297 176.726 176.870 0.256 0.000 1.040 1066 L CA -0.234 54.704 54.840 0.163 0.000 0.867 1066 L CB 0.866 43.064 42.059 0.232 0.000 1.244 1066 L HN 0.457 nan 8.230 nan 0.000 0.433 1067 L N 2.814 124.160 121.223 0.205 0.000 2.360 1067 L HA 0.341 4.681 4.340 -0.000 0.000 0.276 1067 L C -0.319 176.766 176.870 0.358 0.000 1.121 1067 L CA 0.390 55.372 54.840 0.237 0.000 0.845 1067 L CB 0.377 42.489 42.059 0.087 0.000 1.143 1067 L HN 0.410 nan 8.230 nan 0.000 0.452 1068 D N 4.857 125.500 120.400 0.406 0.000 2.347 1068 D HA 0.182 4.822 4.640 -0.000 0.000 0.235 1068 D C -0.325 176.265 176.300 0.483 0.000 1.149 1068 D CA -0.132 54.159 54.000 0.485 0.000 0.850 1068 D CB 0.691 41.734 40.800 0.405 0.000 1.061 1068 D HN 0.574 nan 8.370 nan 0.000 0.487 1069 C N 4.799 124.470 119.300 0.618 0.000 2.662 1069 C HA 0.157 4.617 4.460 -0.000 0.000 0.420 1069 C C -1.640 173.639 174.990 0.482 0.000 1.314 1069 C CA -1.214 58.054 59.018 0.417 0.000 1.963 1069 C CB -0.151 27.741 27.740 0.253 0.000 2.686 1069 C HN 0.483 nan 8.230 nan 0.000 0.609 1070 P HA 0.125 nan 4.420 nan 0.000 0.261 1070 P C 0.669 178.183 177.300 0.356 0.000 1.173 1070 P CA 1.734 65.034 63.100 0.334 0.000 0.760 1070 P CB 0.227 32.083 31.700 0.260 0.000 0.783 1071 G N 1.266 110.182 108.800 0.193 0.000 2.179 1071 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 1071 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 1071 G C -0.517 173.819 174.900 -0.939 0.000 0.990 1071 G CA -0.616 44.415 45.100 -0.115 0.000 0.646 1071 G HN 0.477 nan 8.290 nan 0.000 0.517 1072 W N -0.106 120.769 121.300 -0.707 0.000 3.107 1072 W HA 0.483 5.143 4.660 -0.000 0.000 0.331 1072 W C 0.974 177.284 176.519 -0.349 0.000 1.204 1072 W CA 0.186 57.188 57.345 -0.570 0.000 1.184 1072 W CB 1.455 30.806 29.460 -0.181 0.000 1.421 1072 W HN 1.105 nan 8.180 nan 0.000 0.544 1073 G N 2.355 111.175 108.800 0.032 0.000 2.574 1073 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.282 1073 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.282 1073 G C 0.693 175.724 174.900 0.218 0.000 1.257 1073 G CA 0.897 46.067 45.100 0.117 0.000 0.956 1073 G HN 0.574 nan 8.290 nan 0.000 0.560 1074 K N 0.672 121.136 120.400 0.106 0.000 2.459 1074 K HA 0.251 4.571 4.320 -0.000 0.000 0.193 1074 K C 1.318 178.128 176.600 0.350 0.000 1.030 1074 K CA 0.611 56.980 56.287 0.135 0.000 1.026 1074 K CB 0.054 32.454 32.500 -0.167 0.000 0.809 1074 K HN 0.325 nan 8.250 nan 0.000 0.504 1075 S N 1.483 117.416 115.700 0.389 0.000 2.600 1075 S HA 0.044 4.514 4.470 -0.000 0.000 0.265 1075 S C -0.017 174.824 174.600 0.402 0.000 1.325 1075 S CA -0.648 57.808 58.200 0.426 0.000 1.002 1075 S CB 0.612 64.048 63.200 0.393 0.000 0.921 1075 S HN 0.113 nan 8.310 nan 0.000 0.554 1076 D N 1.524 122.116 120.400 0.321 0.000 2.449 1076 D HA 0.108 4.748 4.640 -0.000 0.000 0.236 1076 D C 0.545 177.046 176.300 0.335 0.000 1.149 1076 D CA 0.360 54.507 54.000 0.245 0.000 0.878 1076 D CB 0.594 41.498 40.800 0.174 0.000 1.198 1076 D HN 0.329 nan 8.370 nan 0.000 0.446 1077 S N -0.047 115.802 115.700 0.248 0.000 2.652 1077 S HA 0.602 5.072 4.470 -0.000 0.000 0.267 1077 S C -0.467 174.239 174.600 0.177 0.000 1.201 1077 S CA -0.508 57.874 58.200 0.304 0.000 0.996 1077 S CB 0.834 64.073 63.200 0.065 0.000 1.054 1077 S HN 0.303 nan 8.310 nan 0.000 0.561 1078 V N 0.444 120.437 119.914 0.132 0.000 3.216 1078 V HA 0.439 4.559 4.120 -0.000 0.000 0.273 1078 V C -1.916 174.197 176.094 0.031 0.000 1.664 1078 V CA -0.677 61.671 62.300 0.080 0.000 1.021 1078 V CB 1.604 33.490 31.823 0.105 0.000 1.250 1078 V HN 0.673 nan 8.190 nan 0.000 0.463 1079 V N 4.255 124.173 119.914 0.007 0.000 2.384 1079 V HA 0.545 4.665 4.120 -0.000 0.000 0.287 1079 V C -0.192 175.881 176.094 -0.036 0.000 1.020 1079 V CA -0.500 61.781 62.300 -0.033 0.000 0.850 1079 V CB 1.549 33.351 31.823 -0.035 0.000 0.987 1079 V HN 0.896 nan 8.190 nan 0.000 0.436 1080 N N 2.624 121.282 118.700 -0.071 0.000 2.408 1080 N HA 0.348 5.088 4.740 -0.000 0.000 0.280 1080 N C 0.604 176.050 175.510 -0.108 0.000 1.002 1080 N CA 0.051 53.057 53.050 -0.074 0.000 0.907 1080 N CB 1.861 40.300 38.487 -0.080 0.000 1.161 1080 N HN 0.604 nan 8.380 nan 0.000 0.488 1081 S N 0.957 116.608 115.700 -0.081 0.000 2.603 1081 S HA 0.389 4.859 4.470 -0.000 0.000 0.232 1081 S C 0.791 175.341 174.600 -0.083 0.000 1.016 1081 S CA -0.172 57.976 58.200 -0.086 0.000 0.976 1081 S CB 0.180 63.344 63.200 -0.060 0.000 0.921 1081 S HN 0.527 nan 8.310 nan 0.000 0.516 1082 G N 1.077 109.830 108.800 -0.078 0.000 3.122 1082 G HA2 0.513 4.473 3.960 -0.000 0.000 0.180 1082 G HA3 0.513 4.473 3.960 -0.000 0.000 0.180 1082 G C -0.866 173.975 174.900 -0.099 0.000 1.279 1082 G CA -0.600 44.459 45.100 -0.067 0.000 0.987 1082 G HN 0.239 nan 8.290 nan 0.000 0.589 1083 S N -0.557 115.106 115.700 -0.061 0.000 2.457 1083 S HA 0.071 4.541 4.470 -0.000 0.000 0.294 1083 S C 1.674 176.234 174.600 -0.067 0.000 1.201 1083 S CA -0.132 58.026 58.200 -0.070 0.000 1.112 1083 S CB 0.338 63.556 63.200 0.029 0.000 1.018 1083 S HN 0.583 nan 8.310 nan 0.000 0.511 1084 R N 3.954 124.327 120.500 -0.210 0.000 2.083 1084 R HA -0.087 4.253 4.340 -0.000 0.000 0.237 1084 R C 2.247 178.576 176.300 0.049 0.000 1.137 1084 R CA 2.452 58.456 56.100 -0.161 0.000 0.951 1084 R CB -0.623 29.390 30.300 -0.479 0.000 0.851 1084 R HN 0.675 nan 8.270 nan 0.000 0.434 1085 S N 0.807 116.582 115.700 0.126 0.000 2.365 1085 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 1085 S C 1.374 176.173 174.600 0.332 0.000 1.039 1085 S CA 1.627 60.054 58.200 0.378 0.000 1.033 1085 S CB -0.400 63.206 63.200 0.677 0.000 0.887 1085 S HN 0.450 nan 8.310 nan 0.000 0.447 1086 D N 0.940 121.501 120.400 0.268 0.000 2.183 1086 D HA -0.018 4.622 4.640 -0.000 0.000 0.203 1086 D C 1.932 178.349 176.300 0.195 0.000 0.969 1086 D CA 0.515 54.645 54.000 0.218 0.000 0.842 1086 D CB -0.242 40.654 40.800 0.161 0.000 0.957 1086 D HN 0.241 nan 8.370 nan 0.000 0.484 1087 L N 1.667 122.987 121.223 0.161 0.000 2.017 1087 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 1087 L C 1.546 178.532 176.870 0.193 0.000 1.073 1087 L CA 1.671 56.603 54.840 0.154 0.000 0.745 1087 L CB -0.691 41.437 42.059 0.116 0.000 0.894 1087 L HN -0.150 nan 8.230 nan 0.000 0.432 1088 N N 0.316 119.140 118.700 0.207 0.000 2.166 1088 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 1088 N C 1.791 177.460 175.510 0.265 0.000 1.019 1088 N CA 1.513 54.689 53.050 0.211 0.000 0.856 1088 N CB -0.442 38.153 38.487 0.181 0.000 0.993 1088 N HN 0.558 nan 8.380 nan 0.000 0.426 1089 A N 0.712 123.735 122.820 0.339 0.000 2.014 1089 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 1089 A C 2.274 180.193 177.584 0.559 0.000 1.163 1089 A CA 0.735 53.092 52.037 0.532 0.000 0.652 1089 A CB -0.232 19.057 19.000 0.482 0.000 0.808 1089 A HN 0.146 nan 8.150 nan 0.000 0.449 1090 R N -0.475 120.260 120.500 0.391 0.000 2.073 1090 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 1090 R C 1.862 178.284 176.300 0.203 0.000 1.120 1090 R CA 1.322 57.627 56.100 0.343 0.000 0.967 1090 R CB -0.233 30.214 30.300 0.244 0.000 0.862 1090 R HN 0.437 nan 8.270 nan 0.000 0.436 1091 I N 1.056 121.740 120.570 0.189 0.000 2.142 1091 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 1091 I C 2.420 178.593 176.117 0.093 0.000 1.078 1091 I CA 1.290 62.668 61.300 0.130 0.000 1.343 1091 I CB -1.178 36.908 38.000 0.144 0.000 1.046 1091 I HN 0.290 nan 8.210 nan 0.000 0.405 1092 L N 0.434 121.747 121.223 0.150 0.000 2.043 1092 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 1092 L C 2.754 179.700 176.870 0.126 0.000 1.075 1092 L CA 1.531 56.434 54.840 0.105 0.000 0.752 1092 L CB -0.331 41.808 42.059 0.134 0.000 0.891 1092 L HN 0.245 nan 8.230 nan 0.000 0.432 1093 K N -0.486 120.006 120.400 0.154 0.000 2.044 1093 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 1093 K C 2.293 178.771 176.600 -0.203 0.000 1.049 1093 K CA 1.924 58.075 56.287 -0.226 0.000 0.927 1093 K CB -0.381 31.565 32.500 -0.923 0.000 0.713 1093 K HN 0.284 nan 8.250 nan 0.000 0.443 1094 S N 0.176 115.802 115.700 -0.124 0.000 2.353 1094 S HA -0.118 4.352 4.470 -0.000 0.000 0.222 1094 S C 2.117 176.661 174.600 -0.092 0.000 1.035 1094 S CA 1.609 59.755 58.200 -0.090 0.000 1.025 1094 S CB -0.288 62.894 63.200 -0.030 0.000 0.902 1094 S HN 0.128 nan 8.310 nan 0.000 0.440 1095 V N 1.514 121.361 119.914 -0.112 0.000 2.252 1095 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 1095 V C 2.513 178.499 176.094 -0.180 0.000 1.056 1095 V CA 2.048 64.228 62.300 -0.200 0.000 1.022 1095 V CB -0.836 30.760 31.823 -0.378 0.000 0.641 1095 V HN 0.447 nan 8.190 nan 0.000 0.445 1096 V N 0.031 119.855 119.914 -0.149 0.000 2.407 1096 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 1096 V C 2.269 178.308 176.094 -0.091 0.000 1.055 1096 V CA 2.166 64.398 62.300 -0.112 0.000 1.049 1096 V CB -0.663 31.122 31.823 -0.064 0.000 0.662 1096 V HN 0.590 nan 8.190 nan 0.000 0.455 1097 D N -0.516 119.821 120.400 -0.106 0.000 2.097 1097 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 1097 D C 2.339 178.603 176.300 -0.060 0.000 0.984 1097 D CA 1.212 55.154 54.000 -0.095 0.000 0.826 1097 D CB -0.184 40.544 40.800 -0.119 0.000 0.973 1097 D HN 0.511 nan 8.370 nan 0.000 0.460 1098 Q N -0.033 119.735 119.800 -0.053 0.000 2.124 1098 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 1098 Q C 2.143 178.138 176.000 -0.009 0.000 0.977 1098 Q CA 0.629 56.419 55.803 -0.022 0.000 0.850 1098 Q CB 0.002 28.735 28.738 -0.008 0.000 0.901 1098 Q HN 0.296 nan 8.270 nan 0.000 0.429 1099 L N 0.486 121.694 121.223 -0.025 0.000 2.610 1099 L HA -0.015 4.325 4.340 -0.000 0.000 0.232 1099 L C -0.022 176.844 176.870 -0.007 0.000 1.149 1099 L CA 0.017 54.856 54.840 -0.002 0.000 0.872 1099 L CB -0.163 41.887 42.059 -0.016 0.000 0.992 1099 L HN 0.265 nan 8.230 nan 0.000 0.447 1100 D N 0.716 121.104 120.400 -0.019 0.000 2.751 1100 D HA -0.225 4.415 4.640 -0.000 0.000 0.233 1100 D C -0.047 176.241 176.300 -0.020 0.000 1.149 1100 D CA 0.517 54.506 54.000 -0.019 0.000 0.682 1100 D CB -0.758 40.038 40.800 -0.006 0.000 1.068 1100 D HN 0.265 nan 8.370 nan 0.000 0.429 1101 I N 0.056 120.607 120.570 -0.031 0.000 2.312 1101 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 1101 I C 1.755 177.853 176.117 -0.033 0.000 1.031 1101 I CA -0.148 61.133 61.300 -0.031 0.000 1.293 1101 I CB 1.240 39.214 38.000 -0.043 0.000 1.403 1101 I HN 0.167 nan 8.210 nan 0.000 0.484 1102 A N 6.776 129.580 122.820 -0.027 0.000 1.898 1102 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 1102 A C 1.036 178.608 177.584 -0.020 0.000 1.181 1102 A CA 1.250 53.274 52.037 -0.022 0.000 0.620 1102 A CB 0.116 19.105 19.000 -0.018 0.000 0.819 1102 A HN 0.681 nan 8.150 nan 0.000 0.442 1103 K N -0.691 119.683 120.400 -0.044 0.000 2.469 1103 K HA 0.642 4.962 4.320 -0.000 0.000 0.254 1103 K C -1.376 175.140 176.600 -0.140 0.000 0.939 1103 K CA -0.518 55.727 56.287 -0.071 0.000 0.812 1103 K CB 2.246 34.691 32.500 -0.090 0.000 1.301 1103 K HN 0.471 nan 8.250 nan 0.000 0.433 1104 I N -1.690 118.779 120.570 -0.169 0.000 2.865 1104 I HA 0.507 4.677 4.170 -0.000 0.000 0.302 1104 I C -0.890 175.068 176.117 -0.264 0.000 1.140 1104 I CA -0.970 60.190 61.300 -0.234 0.000 1.021 1104 I CB 2.043 39.921 38.000 -0.203 0.000 1.233 1104 I HN 0.458 nan 8.210 nan 0.000 0.427 1105 H N 4.312 123.325 119.070 -0.096 0.000 2.479 1105 H HA 0.686 5.242 4.556 -0.000 0.000 0.335 1105 H C -0.973 174.276 175.328 -0.131 0.000 1.142 1105 H CA -0.569 55.418 56.048 -0.102 0.000 1.234 1105 H CB 2.383 32.053 29.762 -0.153 0.000 1.503 1105 H HN 0.469 nan 8.280 nan 0.000 0.510 1106 L N 2.870 124.116 121.223 0.038 0.000 2.365 1106 L HA 0.312 4.652 4.340 -0.000 0.000 0.273 1106 L C -0.733 176.131 176.870 -0.011 0.000 1.000 1106 L CA -0.772 54.046 54.840 -0.037 0.000 0.819 1106 L CB 1.795 43.827 42.059 -0.045 0.000 1.284 1106 L HN 0.209 nan 8.230 nan 0.000 0.418 1107 L N 2.547 123.742 121.223 -0.047 0.000 2.401 1107 L HA 0.580 4.920 4.340 -0.000 0.000 0.263 1107 L C 0.094 177.006 176.870 0.071 0.000 1.004 1107 L CA 0.103 54.951 54.840 0.013 0.000 0.881 1107 L CB 1.569 43.592 42.059 -0.059 0.000 1.219 1107 L HN 0.591 nan 8.230 nan 0.000 0.441 1108 G N 2.317 111.181 108.800 0.106 0.000 2.335 1108 G HA2 0.269 4.229 3.960 -0.000 0.000 0.314 1108 G HA3 0.269 4.229 3.960 -0.000 0.000 0.314 1108 G C -0.782 174.184 174.900 0.111 0.000 1.129 1108 G CA -0.483 44.685 45.100 0.114 0.000 0.912 1108 G HN 0.524 nan 8.290 nan 0.000 0.443 1109 N N 2.622 121.398 118.700 0.126 0.000 2.425 1109 N HA 0.330 5.070 4.740 -0.000 0.000 0.268 1109 N C 0.965 176.416 175.510 -0.099 0.000 0.991 1109 N CA 0.188 53.217 53.050 -0.035 0.000 0.931 1109 N CB 1.062 39.489 38.487 -0.101 0.000 1.130 1109 N HN 0.558 nan 8.380 nan 0.000 0.493 1110 S N 3.886 119.496 115.700 -0.150 0.000 4.150 1110 S HA -0.372 4.098 4.470 -0.000 0.000 0.541 1110 S C 1.417 175.948 174.600 -0.114 0.000 1.860 1110 S CA 1.991 60.150 58.200 -0.069 0.000 4.226 1110 S CB -1.291 61.960 63.200 0.085 0.000 0.445 1110 S HN 0.826 nan 8.310 nan 0.000 0.470 1111 M N 1.520 121.039 119.600 -0.135 0.000 2.144 1111 M HA -0.022 4.458 4.480 -0.000 0.000 0.260 1111 M C 1.960 178.230 176.300 -0.051 0.000 1.067 1111 M CA 2.723 57.926 55.300 -0.162 0.000 1.095 1111 M CB -1.017 31.568 32.600 -0.024 0.000 1.365 1111 M HN 0.634 nan 8.290 nan 0.000 0.406 1112 G N -0.784 107.967 108.800 -0.082 0.000 2.432 1112 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 1112 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 1112 G C 1.387 176.315 174.900 0.046 0.000 1.135 1112 G CA 0.775 45.856 45.100 -0.032 0.000 0.767 1112 G HN 0.632 nan 8.290 nan 0.000 0.550 1113 G N -0.522 108.298 108.800 0.034 0.000 2.404 1113 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 1113 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 1113 G C 1.647 176.624 174.900 0.129 0.000 1.174 1113 G CA 1.076 46.214 45.100 0.063 0.000 0.780 1113 G HN 0.459 nan 8.290 nan 0.000 0.537 1114 H N 0.938 120.034 119.070 0.044 0.000 2.421 1114 H HA 0.005 4.561 4.556 -0.000 0.000 0.298 1114 H C 2.659 178.167 175.328 0.300 0.000 1.087 1114 H CA 1.534 57.679 56.048 0.163 0.000 1.330 1114 H CB 0.029 29.777 29.762 -0.023 0.000 1.388 1114 H HN 0.302 nan 8.280 nan 0.000 0.526 1115 S N -0.380 115.544 115.700 0.374 0.000 2.387 1115 S HA -0.079 4.391 4.470 -0.000 0.000 0.226 1115 S C 2.412 177.174 174.600 0.270 0.000 1.026 1115 S CA 0.958 59.358 58.200 0.332 0.000 0.972 1115 S CB 0.033 63.363 63.200 0.216 0.000 0.814 1115 S HN 0.363 nan 8.310 nan 0.000 0.477 1116 S N 1.325 117.134 115.700 0.182 0.000 2.368 1116 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 1116 S C 2.008 176.700 174.600 0.154 0.000 1.029 1116 S CA 0.837 59.119 58.200 0.137 0.000 0.988 1116 S CB -0.346 62.898 63.200 0.074 0.000 0.838 1116 S HN 0.315 nan 8.310 nan 0.000 0.462 1117 V N 2.039 122.021 119.914 0.114 0.000 2.427 1117 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 1117 V C 2.636 178.634 176.094 -0.160 0.000 1.051 1117 V CA 1.591 63.885 62.300 -0.010 0.000 1.048 1117 V CB -1.152 30.661 31.823 -0.017 0.000 0.666 1117 V HN 0.530 nan 8.190 nan 0.000 0.456 1118 A N -0.486 122.327 122.820 -0.011 0.000 1.877 1118 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 1118 A C 2.109 179.672 177.584 -0.035 0.000 1.186 1118 A CA 1.972 53.959 52.037 -0.085 0.000 0.620 1118 A CB -0.717 18.484 19.000 0.336 0.000 0.822 1118 A HN 0.507 nan 8.150 nan 0.000 0.443 1119 F N 1.383 121.349 119.950 0.026 0.000 2.171 1119 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 1119 F C 2.453 178.295 175.800 0.070 0.000 1.090 1119 F CA 2.174 60.259 58.000 0.142 0.000 1.293 1119 F CB -0.541 38.599 39.000 0.232 0.000 1.013 1119 F HN 0.206 nan 8.300 nan 0.000 0.486 1120 T N 0.926 115.652 114.554 0.287 0.000 2.821 1120 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 1120 T C 1.916 176.588 174.700 -0.047 0.000 1.046 1120 T CA 1.108 63.305 62.100 0.161 0.000 1.139 1120 T CB -0.305 68.628 68.868 0.108 0.000 0.871 1120 T HN 0.049 nan 8.240 nan 0.000 0.454 1121 L N 1.055 122.165 121.223 -0.190 0.000 2.056 1121 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 1121 L C 2.357 179.023 176.870 -0.340 0.000 1.078 1121 L CA 1.684 56.358 54.840 -0.277 0.000 0.749 1121 L CB -0.950 40.856 42.059 -0.422 0.000 0.901 1121 L HN 0.121 nan 8.230 nan 0.000 0.433 1122 K N -1.147 118.938 120.400 -0.525 0.000 2.031 1122 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 1122 K C 0.356 176.390 176.600 -0.943 0.000 1.049 1122 K CA 1.130 56.869 56.287 -0.913 0.000 0.939 1122 K CB 0.008 31.565 32.500 -1.572 0.000 0.717 1122 K HN 0.169 nan 8.250 nan 0.000 0.438 1123 W N 1.857 122.994 121.300 -0.273 0.000 1.817 1123 W HA 0.282 4.942 4.660 0.000 0.000 0.289 1123 W C -2.060 174.408 176.519 -0.084 0.000 0.841 1123 W CA -2.008 55.199 57.345 -0.231 0.000 2.216 1123 W CB 0.686 29.890 29.460 -0.428 0.000 2.396 1123 W HN 0.103 nan 8.180 nan 0.000 0.421 1124 P HA -0.260 nan 4.420 nan 0.000 0.217 1124 P C 1.433 178.801 177.300 0.115 0.000 1.148 1124 P CA 2.077 65.230 63.100 0.088 0.000 0.828 1124 P CB 0.199 31.913 31.700 0.024 0.000 0.783 1125 E N 0.255 120.522 120.200 0.112 0.000 2.268 1125 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 1125 E C 1.481 178.143 176.600 0.104 0.000 0.995 1125 E CA 0.856 57.310 56.400 0.091 0.000 0.836 1125 E CB -0.671 29.074 29.700 0.075 0.000 0.763 1125 E HN 0.209 nan 8.360 nan 0.000 0.491 1126 R N 0.948 121.552 120.500 0.172 0.000 2.334 1126 R HA 0.276 4.616 4.340 -0.000 0.000 0.220 1126 R C -0.015 176.402 176.300 0.195 0.000 0.917 1126 R CA -0.074 56.136 56.100 0.183 0.000 1.073 1126 R CB 0.422 30.878 30.300 0.262 0.000 1.056 1126 R HN 0.020 nan 8.270 nan 0.000 0.506 1127 V N -0.455 119.563 119.914 0.174 0.000 2.513 1127 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 1127 V C 1.026 177.151 176.094 0.051 0.000 1.035 1127 V CA -0.527 61.845 62.300 0.120 0.000 0.889 1127 V CB 1.834 33.771 31.823 0.190 0.000 0.988 1127 V HN 0.276 nan 8.190 nan 0.000 0.440 1128 G N 3.807 112.607 108.800 0.000 0.000 2.548 1128 G HA2 0.221 4.181 3.960 -0.000 0.000 0.221 1128 G HA3 0.221 4.181 3.960 -0.000 0.000 0.221 1128 G C 0.194 175.204 174.900 0.183 0.000 1.796 1128 G CA -0.134 44.991 45.100 0.041 0.000 0.889 1128 G HN 0.531 nan 8.290 nan 0.000 0.599 1129 K N -0.373 120.274 120.400 0.412 0.000 2.118 1129 K HA 0.622 4.942 4.320 -0.000 0.000 0.254 1129 K C -1.660 175.083 176.600 0.239 0.000 0.961 1129 K CA -0.637 55.784 56.287 0.223 0.000 0.876 1129 K CB 2.376 34.858 32.500 -0.030 0.000 1.077 1129 K HN 0.160 nan 8.250 nan 0.000 0.440 1130 L N 1.777 123.161 121.223 0.267 0.000 2.362 1130 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 1130 L C -1.542 175.417 176.870 0.148 0.000 0.998 1130 L CA -0.625 54.323 54.840 0.180 0.000 0.820 1130 L CB 1.993 44.133 42.059 0.136 0.000 1.270 1130 L HN 0.310 nan 8.230 nan 0.000 0.415 1131 V N 6.127 126.083 119.914 0.071 0.000 2.443 1131 V HA 0.496 4.616 4.120 -0.000 0.000 0.293 1131 V C -0.935 175.189 176.094 0.049 0.000 1.021 1131 V CA -0.558 61.739 62.300 -0.004 0.000 0.848 1131 V CB 1.641 33.450 31.823 -0.022 0.000 0.998 1131 V HN 0.447 nan 8.190 nan 0.000 0.424 1132 L N 6.630 127.881 121.223 0.046 0.000 2.313 1132 L HA 0.692 5.032 4.340 -0.000 0.000 0.283 1132 L C -0.124 176.773 176.870 0.045 0.000 1.013 1132 L CA -0.523 54.358 54.840 0.067 0.000 0.816 1132 L CB 1.715 43.835 42.059 0.102 0.000 1.236 1132 L HN 0.645 nan 8.230 nan 0.000 0.419 1133 M N 1.552 121.124 119.600 -0.047 0.000 2.093 1133 M HA 0.558 5.038 4.480 -0.000 0.000 0.297 1133 M C 0.646 176.597 176.300 -0.583 0.000 0.938 1133 M CA -0.529 54.638 55.300 -0.223 0.000 0.920 1133 M CB 0.960 33.500 32.600 -0.100 0.000 1.517 1133 M HN 0.693 nan 8.290 nan 0.000 0.427 1134 G N 1.891 109.937 108.800 -1.257 0.000 2.160 1134 G HA2 0.007 3.967 3.960 -0.000 0.000 0.251 1134 G HA3 0.007 3.967 3.960 -0.000 0.000 0.251 1134 G C 0.144 174.570 174.900 -0.791 0.000 1.008 1134 G CA 0.327 44.446 45.100 -1.636 0.000 0.724 1134 G HN 1.650 nan 8.290 nan 0.000 0.514 1135 G N -3.599 104.920 108.800 -0.469 0.000 2.349 1135 G HA2 0.746 4.706 3.960 -0.000 0.000 0.294 1135 G HA3 0.746 4.706 3.960 -0.000 0.000 0.294 1135 G C 0.544 175.532 174.900 0.147 0.000 1.380 1135 G CA 1.265 46.384 45.100 0.031 0.000 0.811 1135 G HN 1.952 nan 8.290 nan 0.000 0.519 1136 G N -2.021 106.863 108.800 0.140 0.000 3.382 1136 G HA2 0.391 4.351 3.960 -0.000 0.000 0.214 1136 G HA3 0.391 4.351 3.960 -0.000 0.000 0.214 1136 G C 0.233 175.117 174.900 -0.027 0.000 1.025 1136 G CA 1.245 46.402 45.100 0.095 0.000 0.869 1136 G HN 1.875 nan 8.290 nan 0.000 0.458 1137 T N 0.176 114.747 114.554 0.029 0.000 3.032 1137 T HA 0.623 4.973 4.350 -0.000 0.000 0.312 1137 T C 0.743 175.510 174.700 0.113 0.000 1.078 1137 T CA 0.958 63.037 62.100 -0.036 0.000 1.028 1137 T CB 0.976 69.885 68.868 0.069 0.000 1.091 1137 T HN 1.129 nan 8.240 nan 0.000 0.457 1138 G N 1.594 110.505 108.800 0.185 0.000 2.525 1138 G HA2 0.630 4.590 3.960 -0.000 0.000 0.276 1138 G HA3 0.630 4.590 3.960 -0.000 0.000 0.276 1138 G C 0.609 175.570 174.900 0.102 0.000 1.388 1138 G CA 0.218 45.442 45.100 0.208 0.000 1.050 1138 G HN 1.676 nan 8.290 nan 0.000 0.520 1139 G N -2.424 106.423 108.800 0.078 0.000 2.479 1139 G HA2 0.282 4.242 3.960 -0.000 0.000 0.686 1139 G HA3 0.282 4.242 3.960 -0.000 0.000 0.686 1139 G C -0.625 174.298 174.900 0.039 0.000 1.295 1139 G CA -0.027 45.100 45.100 0.045 0.000 0.922 1139 G HN 0.815 nan 8.290 nan 0.000 0.582 1140 M N 0.717 120.325 119.600 0.013 0.000 2.314 1140 M HA 0.673 5.153 4.480 -0.000 0.000 0.342 1140 M C 0.939 177.228 176.300 -0.018 0.000 1.171 1140 M CA -0.085 55.214 55.300 -0.002 0.000 1.098 1140 M CB 1.618 34.205 32.600 -0.022 0.000 1.559 1140 M HN 1.108 nan 8.290 nan 0.000 0.459 1141 S N 2.502 118.191 115.700 -0.018 0.000 2.632 1141 S HA 0.438 4.908 4.470 -0.000 0.000 0.271 1141 S C 0.613 175.133 174.600 -0.134 0.000 1.260 1141 S CA -0.637 57.542 58.200 -0.034 0.000 1.010 1141 S CB 0.490 63.702 63.200 0.020 0.000 0.965 1141 S HN 0.777 nan 8.310 nan 0.000 0.534 1142 L N 1.794 122.853 121.223 -0.274 0.000 2.590 1142 L HA 0.273 4.613 4.340 -0.000 0.000 0.227 1142 L C 0.427 176.751 176.870 -0.909 0.000 1.099 1142 L CA 0.409 54.860 54.840 -0.649 0.000 0.872 1142 L CB -0.141 41.330 42.059 -0.980 0.000 1.088 1142 L HN 0.651 nan 8.230 nan 0.000 0.479 1143 F N -1.657 118.285 119.950 -0.013 0.000 2.784 1143 F HA 0.167 4.694 4.527 -0.000 0.000 0.316 1143 F C 0.948 176.749 175.800 0.002 0.000 1.026 1143 F CA -0.195 57.800 58.000 -0.008 0.000 1.188 1143 F CB 0.229 39.220 39.000 -0.016 0.000 0.999 1143 F HN -0.286 nan 8.300 nan 0.000 0.605 1144 T N 3.282 117.932 114.554 0.160 0.000 2.799 1144 T HA 0.390 4.740 4.350 -0.000 0.000 0.286 1144 T C -2.525 172.214 174.700 0.064 0.000 0.973 1144 T CA -1.395 60.773 62.100 0.113 0.000 1.035 1144 T CB 1.356 70.295 68.868 0.118 0.000 0.932 1144 T HN -0.296 nan 8.240 nan 0.000 0.469 1145 P HA 0.245 nan 4.420 nan 0.000 0.267 1145 P C -0.632 176.686 177.300 0.031 0.000 1.205 1145 P CA 0.051 63.172 63.100 0.034 0.000 0.765 1145 P CB 0.374 32.094 31.700 0.032 0.000 0.828 1146 M N 3.768 123.381 119.600 0.022 0.000 2.535 1146 M HA 0.425 4.905 4.480 -0.000 0.000 0.314 1146 M C -2.022 174.287 176.300 0.015 0.000 1.153 1146 M CA -1.970 53.344 55.300 0.022 0.000 0.924 1146 M CB 1.674 34.291 32.600 0.028 0.000 1.710 1146 M HN 0.263 nan 8.290 nan 0.000 0.451 1147 P HA 0.131 nan 4.420 nan 0.000 0.271 1147 P C -0.339 176.961 177.300 -0.001 0.000 1.216 1147 P CA -0.164 62.943 63.100 0.013 0.000 0.771 1147 P CB 0.292 31.999 31.700 0.011 0.000 0.864 1148 T N -1.442 113.109 114.554 -0.004 0.000 2.791 1148 T HA -0.046 4.304 4.350 -0.000 0.000 0.323 1148 T C 1.232 175.884 174.700 -0.080 0.000 1.082 1148 T CA -0.076 62.011 62.100 -0.021 0.000 1.084 1148 T CB 0.806 69.670 68.868 -0.006 0.000 0.992 1148 T HN 0.636 nan 8.240 nan 0.000 0.547 1149 E N 1.244 121.404 120.200 -0.067 0.000 2.097 1149 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 1149 E C 2.140 178.605 176.600 -0.224 0.000 1.000 1149 E CA 1.526 57.875 56.400 -0.086 0.000 0.804 1149 E CB -0.960 28.728 29.700 -0.020 0.000 0.740 1149 E HN 0.906 nan 8.360 nan 0.000 0.454 1150 G N 1.175 109.711 108.800 -0.440 0.000 2.396 1150 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.214 1150 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.214 1150 G C 1.605 175.847 174.900 -1.096 0.000 1.166 1150 G CA 0.333 44.704 45.100 -1.215 0.000 0.793 1150 G HN 0.209 nan 8.290 nan 0.000 0.533 1151 I N 1.132 121.340 120.570 -0.603 0.000 2.208 1151 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 1151 I C 2.619 178.656 176.117 -0.135 0.000 1.097 1151 I CA 1.348 62.500 61.300 -0.246 0.000 1.363 1151 I CB -0.559 37.400 38.000 -0.069 0.000 1.051 1151 I HN 0.232 nan 8.210 nan 0.000 0.413 1152 K N 0.129 120.447 120.400 -0.137 0.000 2.026 1152 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 1152 K C 2.134 178.696 176.600 -0.062 0.000 1.048 1152 K CA 1.238 57.486 56.287 -0.065 0.000 0.929 1152 K CB -0.182 32.285 32.500 -0.056 0.000 0.713 1152 K HN 0.326 nan 8.250 nan 0.000 0.439 1153 R N 0.762 121.191 120.500 -0.119 0.000 2.148 1153 R HA -0.055 4.285 4.340 -0.000 0.000 0.227 1153 R C 2.440 178.711 176.300 -0.049 0.000 1.103 1153 R CA 0.636 56.692 56.100 -0.074 0.000 0.983 1153 R CB -0.301 29.959 30.300 -0.067 0.000 0.874 1153 R HN 0.194 nan 8.270 nan 0.000 0.451 1154 L N 1.081 122.267 121.223 -0.062 0.000 2.005 1154 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 1154 L C 1.568 178.497 176.870 0.098 0.000 1.072 1154 L CA 1.802 56.665 54.840 0.037 0.000 0.744 1154 L CB -0.285 41.859 42.059 0.141 0.000 0.895 1154 L HN 0.173 nan 8.230 nan 0.000 0.433 1155 N N -1.006 117.778 118.700 0.139 0.000 2.120 1155 N HA -0.281 4.459 4.740 -0.000 0.000 0.188 1155 N C 1.830 177.422 175.510 0.136 0.000 1.024 1155 N CA 1.327 54.500 53.050 0.204 0.000 0.852 1155 N CB -0.141 38.444 38.487 0.163 0.000 1.003 1155 N HN 0.474 nan 8.380 nan 0.000 0.424 1156 Q N 0.813 120.649 119.800 0.061 0.000 2.135 1156 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 1156 Q C 2.125 178.135 176.000 0.016 0.000 0.981 1156 Q CA 1.096 56.919 55.803 0.034 0.000 0.856 1156 Q CB -0.016 28.727 28.738 0.008 0.000 0.902 1156 Q HN 0.307 nan 8.270 nan 0.000 0.425 1157 L N -0.217 120.992 121.223 -0.022 0.000 2.027 1157 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 1157 L C 1.862 178.669 176.870 -0.105 0.000 1.074 1157 L CA 1.764 56.545 54.840 -0.099 0.000 0.745 1157 L CB -0.812 41.133 42.059 -0.190 0.000 0.898 1157 L HN 0.245 nan 8.230 nan 0.000 0.433 1158 Y N 0.192 120.421 120.300 -0.118 0.000 2.256 1158 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 1158 Y C 2.671 178.538 175.900 -0.054 0.000 1.155 1158 Y CA 1.663 59.681 58.100 -0.136 0.000 1.203 1158 Y CB -0.189 38.157 38.460 -0.190 0.000 0.980 1158 Y HN 0.204 nan 8.280 nan 0.000 0.530 1159 R N -0.771 119.809 120.500 0.133 0.000 2.210 1159 R HA 0.042 4.382 4.340 -0.000 0.000 0.203 1159 R C -0.158 176.165 176.300 0.038 0.000 1.010 1159 R CA 0.632 56.782 56.100 0.083 0.000 1.008 1159 R CB 0.283 30.627 30.300 0.072 0.000 0.923 1159 R HN 0.153 nan 8.270 nan 0.000 0.469 1160 Q N 0.056 119.865 119.800 0.015 0.000 3.429 1160 Q HA 0.234 4.574 4.340 -0.000 0.000 0.237 1160 Q C -2.616 173.367 176.000 -0.028 0.000 0.932 1160 Q CA -1.884 53.917 55.803 -0.003 0.000 0.731 1160 Q CB 1.685 30.423 28.738 -0.000 0.000 1.383 1160 Q HN -0.053 nan 8.270 nan 0.000 0.446 1161 P HA -0.029 nan 4.420 nan 0.000 0.248 1161 P C -0.321 176.952 177.300 -0.046 0.000 1.550 1161 P CA 0.783 63.841 63.100 -0.071 0.000 1.252 1161 P CB -0.257 31.403 31.700 -0.067 0.000 1.869 1162 T N -1.635 112.896 114.554 -0.039 0.000 2.863 1162 T HA 0.352 4.702 4.350 -0.000 0.000 0.285 1162 T C 0.967 175.675 174.700 0.014 0.000 1.009 1162 T CA -0.948 61.148 62.100 -0.007 0.000 0.989 1162 T CB 1.243 70.112 68.868 0.001 0.000 1.004 1162 T HN 0.084 nan 8.240 nan 0.000 0.455 1163 I N 0.646 121.257 120.570 0.069 0.000 2.300 1163 I HA -0.203 3.967 4.170 -0.000 0.000 0.252 1163 I C 2.320 178.527 176.117 0.151 0.000 1.119 1163 I CA 2.039 63.447 61.300 0.181 0.000 1.384 1163 I CB -0.049 38.062 38.000 0.186 0.000 1.062 1163 I HN 0.933 nan 8.210 nan 0.000 0.426 1164 E N 1.477 121.721 120.200 0.074 0.000 2.031 1164 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 1164 E C 1.869 178.491 176.600 0.035 0.000 0.994 1164 E CA 1.962 58.394 56.400 0.054 0.000 0.800 1164 E CB -0.253 29.464 29.700 0.029 0.000 0.752 1164 E HN 0.491 nan 8.360 nan 0.000 0.447 1165 N N 0.188 118.891 118.700 0.005 0.000 2.188 1165 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 1165 N C 1.928 177.402 175.510 -0.060 0.000 1.018 1165 N CA 0.898 53.933 53.050 -0.024 0.000 0.858 1165 N CB -0.354 38.108 38.487 -0.042 0.000 0.989 1165 N HN 0.257 nan 8.380 nan 0.000 0.426 1166 L N 1.225 122.391 121.223 -0.094 0.000 2.083 1166 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 1166 L C 2.297 179.063 176.870 -0.175 0.000 1.083 1166 L CA 1.396 56.099 54.840 -0.229 0.000 0.752 1166 L CB -0.076 41.746 42.059 -0.395 0.000 0.899 1166 L HN 0.069 nan 8.230 nan 0.000 0.433 1167 K N -0.670 119.736 120.400 0.010 0.000 2.103 1167 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 1167 K C 2.042 178.676 176.600 0.057 0.000 1.052 1167 K CA 0.968 57.319 56.287 0.107 0.000 0.945 1167 K CB 0.050 32.665 32.500 0.191 0.000 0.722 1167 K HN 0.186 nan 8.250 nan 0.000 0.443 1168 L N 1.284 122.528 121.223 0.036 0.000 2.046 1168 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 1168 L C 2.440 179.347 176.870 0.062 0.000 1.077 1168 L CA 1.646 56.511 54.840 0.042 0.000 0.747 1168 L CB -0.579 41.495 42.059 0.025 0.000 0.896 1168 L HN 0.330 nan 8.230 nan 0.000 0.432 1169 M N -1.863 117.758 119.600 0.035 0.000 2.077 1169 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 1169 M C 2.164 178.565 176.300 0.167 0.000 1.070 1169 M CA 1.635 57.005 55.300 0.118 0.000 1.125 1169 M CB -0.010 32.608 32.600 0.029 0.000 1.339 1169 M HN 0.156 nan 8.290 nan 0.000 0.409 1170 M N 0.055 119.652 119.600 -0.005 0.000 2.149 1170 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 1170 M C 1.632 178.025 176.300 0.156 0.000 1.064 1170 M CA 1.751 57.055 55.300 0.007 0.000 1.102 1170 M CB -1.812 30.730 32.600 -0.096 0.000 1.369 1170 M HN 0.353 nan 8.290 nan 0.000 0.408 1171 D N 0.749 121.228 120.400 0.131 0.000 2.182 1171 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 1171 D C 1.684 178.081 176.300 0.161 0.000 0.986 1171 D CA 1.090 55.167 54.000 0.128 0.000 0.847 1171 D CB 0.025 40.882 40.800 0.095 0.000 0.942 1171 D HN 0.602 nan 8.370 nan 0.000 0.467 1172 I N -3.678 117.033 120.570 0.234 0.000 4.018 1172 I HA 0.232 4.402 4.170 -0.000 0.000 0.337 1172 I C 1.253 177.620 176.117 0.416 0.000 1.327 1172 I CA -0.390 61.077 61.300 0.279 0.000 1.100 1172 I CB -0.132 38.017 38.000 0.249 0.000 1.025 1172 I HN -0.149 nan 8.210 nan 0.000 0.396 1173 F N 3.295 123.363 119.950 0.196 0.000 2.293 1173 F HA 0.190 4.717 4.527 -0.000 0.000 0.297 1173 F C 0.778 176.586 175.800 0.013 0.000 1.089 1173 F CA 0.569 58.516 58.000 -0.088 0.000 1.377 1173 F CB 0.413 39.245 39.000 -0.279 0.000 1.051 1173 F HN 0.015 nan 8.300 nan 0.000 0.511 1174 V N -2.846 117.206 119.914 0.230 0.000 2.823 1174 V HA 0.304 4.424 4.120 -0.000 0.000 0.312 1174 V C 0.531 176.762 176.094 0.227 0.000 1.072 1174 V CA -1.149 61.275 62.300 0.206 0.000 0.937 1174 V CB 1.130 33.136 31.823 0.305 0.000 1.013 1174 V HN 0.169 nan 8.190 nan 0.000 0.430 1175 F N 1.922 121.934 119.950 0.104 0.000 2.102 1175 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 1175 F C 1.207 177.060 175.800 0.089 0.000 1.105 1175 F CA 2.108 60.169 58.000 0.101 0.000 1.239 1175 F CB 0.163 39.228 39.000 0.109 0.000 0.991 1175 F HN 0.852 nan 8.300 nan 0.000 0.474 1176 D N -0.590 119.894 120.400 0.140 0.000 2.427 1176 D HA 0.156 4.796 4.640 -0.000 0.000 0.226 1176 D C 0.824 177.165 176.300 0.070 0.000 1.076 1176 D CA 0.183 54.201 54.000 0.030 0.000 0.849 1176 D CB 1.034 41.887 40.800 0.089 0.000 1.052 1176 D HN 0.208 nan 8.370 nan 0.000 0.515 1177 T N 0.072 114.649 114.554 0.039 0.000 3.007 1177 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 1177 T C 1.770 176.522 174.700 0.087 0.000 1.107 1177 T CA 0.595 62.745 62.100 0.083 0.000 1.118 1177 T CB -0.141 68.765 68.868 0.063 0.000 0.889 1177 T HN 0.221 nan 8.240 nan 0.000 0.506 1178 S N 1.795 117.529 115.700 0.056 0.000 2.383 1178 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 1178 S C 1.844 176.490 174.600 0.077 0.000 1.030 1178 S CA 1.291 59.521 58.200 0.051 0.000 1.002 1178 S CB -0.597 62.618 63.200 0.026 0.000 0.829 1178 S HN 0.605 nan 8.310 nan 0.000 0.467 1179 D N 1.396 121.854 120.400 0.096 0.000 2.106 1179 D HA -0.125 4.515 4.640 -0.000 0.000 0.191 1179 D C 0.376 176.829 176.300 0.255 0.000 0.997 1179 D CA 0.651 54.734 54.000 0.138 0.000 0.834 1179 D CB -0.361 40.543 40.800 0.173 0.000 0.956 1179 D HN 0.114 nan 8.370 nan 0.000 0.448 1180 L N 2.224 123.613 121.223 0.277 0.000 2.771 1180 L HA -0.053 4.287 4.340 -0.000 0.000 0.278 1180 L C 0.777 177.789 176.870 0.236 0.000 1.175 1180 L CA 0.840 55.843 54.840 0.272 0.000 0.973 1180 L CB -1.412 40.769 42.059 0.204 0.000 1.286 1180 L HN 0.163 nan 8.230 nan 0.000 0.481 1181 T N -1.280 113.443 114.554 0.282 0.000 2.907 1181 T HA 0.275 4.625 4.350 -0.000 0.000 0.284 1181 T C 1.034 175.850 174.700 0.193 0.000 1.004 1181 T CA -0.925 61.305 62.100 0.217 0.000 1.063 1181 T CB 1.708 70.726 68.868 0.249 0.000 0.992 1181 T HN 0.489 nan 8.240 nan 0.000 0.483 1182 D N 1.988 122.469 120.400 0.136 0.000 2.149 1182 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 1182 D C 2.285 178.673 176.300 0.147 0.000 0.990 1182 D CA 1.567 55.634 54.000 0.113 0.000 0.839 1182 D CB -0.494 40.327 40.800 0.035 0.000 0.948 1182 D HN 0.795 nan 8.370 nan 0.000 0.460 1183 A N 1.037 123.940 122.820 0.137 0.000 2.024 1183 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 1183 A C 2.238 179.912 177.584 0.150 0.000 1.164 1183 A CA 0.797 52.917 52.037 0.137 0.000 0.643 1183 A CB -0.631 18.455 19.000 0.144 0.000 0.806 1183 A HN 0.277 nan 8.150 nan 0.000 0.451 1184 L N -2.426 118.894 121.223 0.162 0.000 2.095 1184 L HA 0.012 4.352 4.340 -0.000 0.000 0.204 1184 L C 2.328 179.234 176.870 0.060 0.000 1.080 1184 L CA 1.239 56.131 54.840 0.087 0.000 0.759 1184 L CB -0.304 41.768 42.059 0.021 0.000 0.914 1184 L HN 0.392 nan 8.230 nan 0.000 0.439 1185 F N 1.408 121.343 119.950 -0.025 0.000 2.010 1185 F HA -0.305 4.222 4.527 -0.000 0.000 0.296 1185 F C 2.604 178.376 175.800 -0.045 0.000 1.146 1185 F CA 2.309 60.279 58.000 -0.050 0.000 1.181 1185 F CB -0.545 38.438 39.000 -0.029 0.000 0.965 1185 F HN 0.212 nan 8.300 nan 0.000 0.480 1186 E N 0.092 120.520 120.200 0.381 0.000 2.114 1186 E HA -0.307 4.043 4.350 -0.000 0.000 0.199 1186 E C 2.168 178.836 176.600 0.113 0.000 1.008 1186 E CA 1.426 57.958 56.400 0.221 0.000 0.810 1186 E CB -0.428 29.344 29.700 0.121 0.000 0.739 1186 E HN 0.471 nan 8.360 nan 0.000 0.456 1187 A N 1.362 124.231 122.820 0.082 0.000 1.883 1187 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 1187 A C 2.255 179.826 177.584 -0.021 0.000 1.186 1187 A CA 1.472 53.531 52.037 0.038 0.000 0.624 1187 A CB -0.512 18.522 19.000 0.057 0.000 0.822 1187 A HN 0.154 nan 8.150 nan 0.000 0.444 1188 R N -1.087 119.360 120.500 -0.087 0.000 2.082 1188 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 1188 R C 2.172 178.368 176.300 -0.172 0.000 1.136 1188 R CA 1.639 57.619 56.100 -0.198 0.000 0.935 1188 R CB -1.279 28.799 30.300 -0.370 0.000 0.842 1188 R HN 0.511 nan 8.270 nan 0.000 0.430 1189 L N 1.869 123.006 121.223 -0.143 0.000 2.013 1189 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 1189 L C 2.005 178.859 176.870 -0.027 0.000 1.073 1189 L CA 2.007 56.808 54.840 -0.064 0.000 0.753 1189 L CB -0.897 41.233 42.059 0.118 0.000 0.890 1189 L HN 0.317 nan 8.230 nan 0.000 0.432 1190 N N -1.070 117.631 118.700 0.002 0.000 2.013 1190 N HA -0.266 4.474 4.740 -0.000 0.000 0.195 1190 N C 1.580 177.081 175.510 -0.015 0.000 1.051 1190 N CA 1.558 54.610 53.050 0.003 0.000 0.851 1190 N CB -0.089 38.407 38.487 0.015 0.000 1.044 1190 N HN 0.407 nan 8.380 nan 0.000 0.422 1191 N N 0.658 119.344 118.700 -0.022 0.000 2.132 1191 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 1191 N C 1.703 177.195 175.510 -0.029 0.000 1.015 1191 N CA 1.224 54.263 53.050 -0.017 0.000 0.864 1191 N CB -0.358 38.115 38.487 -0.023 0.000 1.006 1191 N HN 0.445 nan 8.380 nan 0.000 0.430 1192 M N -0.010 119.547 119.600 -0.072 0.000 2.315 1192 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 1192 M C 1.507 177.774 176.300 -0.054 0.000 1.075 1192 M CA 1.261 56.504 55.300 -0.096 0.000 1.093 1192 M CB -0.438 32.072 32.600 -0.149 0.000 1.251 1192 M HN 0.031 nan 8.290 nan 0.000 0.449 1193 L N -0.056 121.140 121.223 -0.045 0.000 2.349 1193 L HA -0.143 4.197 4.340 -0.000 0.000 0.220 1193 L C 2.632 179.489 176.870 -0.022 0.000 1.130 1193 L CA 1.435 56.258 54.840 -0.029 0.000 0.791 1193 L CB -2.046 40.002 42.059 -0.020 0.000 0.918 1193 L HN 0.434 nan 8.230 nan 0.000 0.444 1194 S N -0.168 115.522 115.700 -0.017 0.000 2.368 1194 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 1194 S C 1.347 175.936 174.600 -0.020 0.000 1.029 1194 S CA 0.785 58.978 58.200 -0.012 0.000 0.988 1194 S CB 0.123 63.322 63.200 -0.002 0.000 0.838 1194 S HN 0.300 nan 8.310 nan 0.000 0.462 1195 R N 1.288 121.781 120.500 -0.011 0.000 2.983 1195 R HA 0.350 4.690 4.340 -0.000 0.000 0.300 1195 R C 0.619 176.887 176.300 -0.052 0.000 1.367 1195 R CA -0.206 55.862 56.100 -0.052 0.000 1.564 1195 R CB -0.130 30.171 30.300 0.002 0.000 1.314 1195 R HN 0.359 nan 8.270 nan 0.000 0.622 1196 R N 0.809 121.283 120.500 -0.045 0.000 2.261 1196 R HA -0.156 4.184 4.340 -0.000 0.000 0.236 1196 R C 1.255 177.534 176.300 -0.035 0.000 1.141 1196 R CA 1.763 57.847 56.100 -0.026 0.000 1.001 1196 R CB 0.174 30.459 30.300 -0.024 0.000 0.866 1196 R HN 0.453 nan 8.270 nan 0.000 0.468 1197 D N -0.429 119.913 120.400 -0.096 0.000 2.117 1197 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 1197 D C 1.415 177.668 176.300 -0.079 0.000 0.982 1197 D CA 1.296 55.227 54.000 -0.117 0.000 0.828 1197 D CB -0.522 40.160 40.800 -0.197 0.000 0.967 1197 D HN 0.293 nan 8.370 nan 0.000 0.464 1198 H N 1.021 120.058 119.070 -0.054 0.000 2.321 1198 H HA 0.048 4.604 4.556 -0.000 0.000 0.300 1198 H C 2.590 177.867 175.328 -0.086 0.000 1.087 1198 H CA 0.721 56.700 56.048 -0.114 0.000 1.319 1198 H CB -0.420 29.238 29.762 -0.173 0.000 1.379 1198 H HN 0.187 nan 8.280 nan 0.000 0.501 1199 L N 0.558 121.860 121.223 0.131 0.000 1.990 1199 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 1199 L C 2.477 179.428 176.870 0.135 0.000 1.072 1199 L CA 1.587 56.554 54.840 0.212 0.000 0.755 1199 L CB -0.608 41.543 42.059 0.154 0.000 0.889 1199 L HN 0.282 nan 8.230 nan 0.000 0.432 1200 E N 0.148 120.389 120.200 0.069 0.000 2.070 1200 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 1200 E C 1.975 178.582 176.600 0.012 0.000 1.004 1200 E CA 1.336 57.757 56.400 0.036 0.000 0.805 1200 E CB -0.162 29.544 29.700 0.010 0.000 0.744 1200 E HN 0.459 nan 8.360 nan 0.000 0.451 1201 N N 0.041 118.741 118.700 0.001 0.000 2.309 1201 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 1201 N C 1.541 176.998 175.510 -0.087 0.000 1.018 1201 N CA 0.633 53.663 53.050 -0.033 0.000 0.876 1201 N CB -0.161 38.318 38.487 -0.013 0.000 0.972 1201 N HN 0.126 nan 8.380 nan 0.000 0.434 1202 F N 1.815 121.596 119.950 -0.282 0.000 2.084 1202 F HA -0.100 4.427 4.527 -0.000 0.000 0.296 1202 F C 2.169 177.760 175.800 -0.350 0.000 1.111 1202 F CA 0.882 58.606 58.000 -0.459 0.000 1.224 1202 F CB -0.414 38.014 39.000 -0.954 0.000 0.991 1202 F HN -0.253 nan 8.300 nan 0.000 0.471 1203 V N 0.882 120.811 119.914 0.025 0.000 2.469 1203 V HA -0.320 3.800 4.120 -0.000 0.000 0.251 1203 V C 2.258 178.310 176.094 -0.069 0.000 1.064 1203 V CA 2.216 64.527 62.300 0.018 0.000 1.066 1203 V CB -0.748 31.114 31.823 0.064 0.000 0.667 1203 V HN 0.323 nan 8.190 nan 0.000 0.461 1204 K N -0.384 119.966 120.400 -0.083 0.000 2.116 1204 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 1204 K C 2.423 178.945 176.600 -0.130 0.000 1.052 1204 K CA 1.274 57.510 56.287 -0.085 0.000 0.952 1204 K CB -0.216 32.248 32.500 -0.060 0.000 0.729 1204 K HN 0.352 nan 8.250 nan 0.000 0.446 1205 S N 1.427 117.008 115.700 -0.199 0.000 2.382 1205 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 1205 S C 1.821 176.270 174.600 -0.253 0.000 1.027 1205 S CA 1.083 59.142 58.200 -0.235 0.000 0.991 1205 S CB -0.139 62.868 63.200 -0.321 0.000 0.823 1205 S HN 0.076 nan 8.310 nan 0.000 0.469 1206 L N 1.668 122.711 121.223 -0.301 0.000 2.056 1206 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 1206 L C 2.284 179.070 176.870 -0.140 0.000 1.078 1206 L CA 1.585 56.283 54.840 -0.237 0.000 0.749 1206 L CB -0.830 41.100 42.059 -0.215 0.000 0.901 1206 L HN 0.296 nan 8.230 nan 0.000 0.433 1207 E N -0.752 119.382 120.200 -0.111 0.000 2.204 1207 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 1207 E C 2.206 178.763 176.600 -0.072 0.000 0.989 1207 E CA 0.937 57.294 56.400 -0.073 0.000 0.824 1207 E CB -0.142 29.526 29.700 -0.054 0.000 0.756 1207 E HN 0.515 nan 8.360 nan 0.000 0.477 1208 A N 1.216 123.983 122.820 -0.089 0.000 1.935 1208 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 1208 A C 1.113 178.646 177.584 -0.085 0.000 1.178 1208 A CA 0.707 52.697 52.037 -0.078 0.000 0.640 1208 A CB 0.184 19.135 19.000 -0.081 0.000 0.825 1208 A HN 0.135 nan 8.150 nan 0.000 0.447 1209 N N -1.431 117.201 118.700 -0.113 0.000 2.621 1209 N HA 0.343 5.083 4.740 -0.000 0.000 0.271 1209 N C -2.738 172.689 175.510 -0.138 0.000 1.181 1209 N CA -1.711 51.269 53.050 -0.117 0.000 0.805 1209 N CB 1.505 39.915 38.487 -0.128 0.000 1.351 1209 N HN -0.217 nan 8.380 nan 0.000 0.539 1210 P HA -0.141 nan 4.420 nan 0.000 0.217 1210 P C -0.380 176.863 177.300 -0.096 0.000 1.148 1210 P CA 1.211 64.258 63.100 -0.090 0.000 0.828 1210 P CB 0.267 31.934 31.700 -0.055 0.000 0.783 1211 K N 0.430 120.768 120.400 -0.103 0.000 2.290 1211 K HA 0.083 4.403 4.320 -0.000 0.000 0.250 1211 K C 0.923 177.404 176.600 -0.198 0.000 1.092 1211 K CA -0.214 56.011 56.287 -0.103 0.000 1.006 1211 K CB 0.068 32.528 32.500 -0.067 0.000 1.549 1211 K HN -0.100 nan 8.250 nan 0.000 0.436 1212 Q N 1.567 121.174 119.800 -0.322 0.000 2.297 1212 Q HA -0.012 4.328 4.340 -0.000 0.000 0.204 1212 Q C -0.456 175.023 176.000 -0.867 0.000 0.962 1212 Q CA 0.982 56.407 55.803 -0.630 0.000 0.879 1212 Q CB 0.179 28.382 28.738 -0.893 0.000 0.947 1212 Q HN 0.415 nan 8.270 nan 0.000 0.462 1213 F N 0.766 120.553 119.950 -0.271 0.000 2.445 1213 F HA 0.386 4.913 4.527 -0.000 0.000 0.348 1213 F C -2.074 173.524 175.800 -0.338 0.000 1.125 1213 F CA -2.955 54.721 58.000 -0.540 0.000 0.983 1213 F CB 1.379 39.925 39.000 -0.756 0.000 1.198 1213 F HN -0.209 nan 8.300 nan 0.000 0.436 1214 P HA 0.009 nan 4.420 nan 0.000 0.271 1214 P C -0.537 176.613 177.300 -0.250 0.000 1.218 1214 P CA -0.240 62.745 63.100 -0.192 0.000 0.780 1214 P CB 0.663 32.224 31.700 -0.232 0.000 0.901 1215 D N 2.152 122.477 120.400 -0.124 0.000 2.402 1215 D HA 0.051 4.691 4.640 -0.000 0.000 0.235 1215 D C 0.061 176.351 176.300 -0.016 0.000 1.226 1215 D CA -0.074 53.892 54.000 -0.057 0.000 0.918 1215 D CB -0.198 40.606 40.800 0.006 0.000 1.043 1215 D HN 0.129 nan 8.370 nan 0.000 0.506 1216 F N 1.970 121.949 119.950 0.049 0.000 2.802 1216 F HA 0.177 4.704 4.527 -0.000 0.000 0.300 1216 F C 2.302 178.098 175.800 -0.006 0.000 1.168 1216 F CA -0.122 57.876 58.000 -0.002 0.000 1.433 1216 F CB -0.603 38.353 39.000 -0.073 0.000 1.115 1216 F HN 0.458 nan 8.300 nan 0.000 0.582 1217 G N 1.891 110.787 108.800 0.160 0.000 2.631 1217 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 1217 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 1217 G C -0.356 174.591 174.900 0.078 0.000 1.214 1217 G CA 0.870 46.028 45.100 0.095 0.000 0.785 1217 G HN 0.234 nan 8.290 nan 0.000 0.596 1218 P HA -0.042 nan 4.420 nan 0.000 0.221 1218 P C 1.670 178.997 177.300 0.044 0.000 1.145 1218 P CA 1.000 64.130 63.100 0.051 0.000 0.795 1218 P CB 0.017 31.746 31.700 0.049 0.000 0.775 1219 R N -1.358 119.178 120.500 0.060 0.000 2.312 1219 R HA 0.229 4.569 4.340 -0.000 0.000 0.205 1219 R C 1.908 178.204 176.300 -0.008 0.000 0.904 1219 R CA -0.067 56.043 56.100 0.016 0.000 1.052 1219 R CB -0.392 29.907 30.300 -0.002 0.000 1.014 1219 R HN 0.239 nan 8.270 nan 0.000 0.503 1220 L N 0.579 121.813 121.223 0.018 0.000 2.189 1220 L HA -0.181 4.159 4.340 -0.000 0.000 0.214 1220 L C 2.381 179.251 176.870 -0.000 0.000 1.097 1220 L CA 1.213 56.057 54.840 0.008 0.000 0.764 1220 L CB -0.534 41.543 42.059 0.030 0.000 0.900 1220 L HN 0.232 nan 8.230 nan 0.000 0.436 1221 A N -0.391 122.430 122.820 0.001 0.000 2.172 1221 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 1221 A C 2.106 179.685 177.584 -0.008 0.000 1.154 1221 A CA 1.089 53.126 52.037 -0.000 0.000 0.701 1221 A CB -0.275 18.726 19.000 0.002 0.000 0.789 1221 A HN 0.475 nan 8.150 nan 0.000 0.465 1222 E N -0.378 119.810 120.200 -0.021 0.000 2.170 1222 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 1222 E C -0.080 176.504 176.600 -0.028 0.000 0.981 1222 E CA -0.021 56.360 56.400 -0.032 0.000 0.830 1222 E CB -0.064 29.601 29.700 -0.057 0.000 0.775 1222 E HN 0.613 nan 8.360 nan 0.000 0.470 1223 I N 2.706 123.261 120.570 -0.025 0.000 2.664 1223 I HA -0.074 4.096 4.170 -0.000 0.000 0.284 1223 I C 1.010 177.134 176.117 0.012 0.000 1.154 1223 I CA 0.255 61.550 61.300 -0.009 0.000 1.402 1223 I CB 0.456 38.454 38.000 -0.005 0.000 1.395 1223 I HN -0.081 nan 8.210 nan 0.000 0.545 1224 K N 5.025 125.436 120.400 0.018 0.000 2.358 1224 K HA 0.275 4.595 4.320 -0.000 0.000 0.197 1224 K C 0.525 177.149 176.600 0.040 0.000 1.025 1224 K CA -0.015 56.287 56.287 0.025 0.000 1.104 1224 K CB 0.414 32.925 32.500 0.018 0.000 0.855 1224 K HN 0.620 nan 8.250 nan 0.000 0.531 1225 A N 1.835 124.688 122.820 0.054 0.000 2.440 1225 A HA 0.124 4.444 4.320 -0.000 0.000 0.251 1225 A C 0.001 177.647 177.584 0.102 0.000 1.089 1225 A CA -0.179 51.903 52.037 0.076 0.000 0.779 1225 A CB 0.090 19.147 19.000 0.094 0.000 1.022 1225 A HN 0.248 nan 8.150 nan 0.000 0.492 1226 Q N 0.998 120.860 119.800 0.102 0.000 2.263 1226 Q HA 0.217 4.557 4.340 -0.000 0.000 0.289 1226 Q C -0.373 175.854 176.000 0.378 0.000 1.061 1226 Q CA 0.781 56.686 55.803 0.170 0.000 0.927 1226 Q CB 0.395 29.132 28.738 -0.001 0.000 1.154 1226 Q HN 0.702 nan 8.270 nan 0.000 0.378 1227 T N 3.240 118.018 114.554 0.374 0.000 2.861 1227 T HA 0.514 4.864 4.350 -0.000 0.000 0.287 1227 T C -1.049 173.605 174.700 -0.077 0.000 1.003 1227 T CA -0.650 61.578 62.100 0.213 0.000 0.977 1227 T CB 0.972 69.901 68.868 0.102 0.000 0.996 1227 T HN 0.380 nan 8.240 nan 0.000 0.448 1228 L N 4.398 125.354 121.223 -0.446 0.000 2.356 1228 L HA 0.657 4.997 4.340 -0.000 0.000 0.277 1228 L C -1.458 175.258 176.870 -0.256 0.000 0.996 1228 L CA -0.920 53.520 54.840 -0.667 0.000 0.822 1228 L CB 1.092 42.288 42.059 -1.438 0.000 1.256 1228 L HN 0.678 nan 8.230 nan 0.000 0.413 1229 I N 5.193 125.703 120.570 -0.101 0.000 2.378 1229 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 1229 I C -0.504 175.689 176.117 0.128 0.000 0.992 1229 I CA -0.738 60.602 61.300 0.067 0.000 1.154 1229 I CB 2.061 40.145 38.000 0.140 0.000 1.315 1229 I HN 0.216 nan 8.210 nan 0.000 0.448 1230 V N 5.558 125.585 119.914 0.188 0.000 2.555 1230 V HA 0.505 4.625 4.120 -0.000 0.000 0.302 1230 V C -0.795 175.448 176.094 0.248 0.000 1.038 1230 V CA -0.572 61.870 62.300 0.238 0.000 0.887 1230 V CB 2.338 34.357 31.823 0.326 0.000 0.991 1230 V HN 0.651 nan 8.190 nan 0.000 0.434 1231 W N 1.549 122.898 121.300 0.081 0.000 3.118 1231 W HA 0.665 5.325 4.660 0.000 0.000 0.328 1231 W C -0.199 176.367 176.519 0.077 0.000 1.239 1231 W CA -0.765 56.609 57.345 0.048 0.000 1.176 1231 W CB 2.573 32.040 29.460 0.013 0.000 1.433 1231 W HN 0.752 nan 8.180 nan 0.000 0.562 1232 G N 2.202 111.182 108.800 0.300 0.000 2.368 1232 G HA2 0.344 4.304 3.960 -0.000 0.000 0.320 1232 G HA3 0.344 4.304 3.960 -0.000 0.000 0.320 1232 G C 0.399 175.472 174.900 0.288 0.000 1.158 1232 G CA -0.426 44.812 45.100 0.231 0.000 0.912 1232 G HN 0.526 nan 8.290 nan 0.000 0.456 1233 R N 2.115 122.705 120.500 0.149 0.000 2.105 1233 R HA -0.088 4.252 4.340 -0.000 0.000 0.239 1233 R C 1.225 177.601 176.300 0.126 0.000 1.135 1233 R CA 1.755 57.910 56.100 0.093 0.000 0.967 1233 R CB -0.156 30.142 30.300 -0.003 0.000 0.861 1233 R HN 0.574 nan 8.270 nan 0.000 0.442 1234 N N 1.050 119.831 118.700 0.136 0.000 2.376 1234 N HA -0.035 4.705 4.740 -0.000 0.000 0.249 1234 N C -0.935 174.723 175.510 0.246 0.000 1.140 1234 N CA -0.159 53.012 53.050 0.201 0.000 0.870 1234 N CB 0.118 38.775 38.487 0.282 0.000 1.124 1234 N HN 0.231 nan 8.380 nan 0.000 0.505 1235 D N 1.292 121.853 120.400 0.268 0.000 2.363 1235 D HA 0.015 4.655 4.640 -0.000 0.000 0.263 1235 D C 0.795 177.292 176.300 0.328 0.000 1.258 1235 D CA 0.240 54.421 54.000 0.302 0.000 0.907 1235 D CB 0.605 41.653 40.800 0.412 0.000 1.107 1235 D HN 0.174 nan 8.370 nan 0.000 0.495 1236 R N 2.905 123.616 120.500 0.351 0.000 2.317 1236 R HA 0.079 4.419 4.340 -0.000 0.000 0.208 1236 R C 0.804 177.284 176.300 0.301 0.000 0.914 1236 R CA 0.021 56.306 56.100 0.308 0.000 1.060 1236 R CB 0.355 30.821 30.300 0.277 0.000 1.015 1236 R HN 0.381 nan 8.270 nan 0.000 0.498 1237 F N -0.336 119.647 119.950 0.055 0.000 2.298 1237 F HA 0.129 4.656 4.527 -0.000 0.000 0.282 1237 F C 0.880 176.714 175.800 0.057 0.000 1.045 1237 F CA 0.252 58.232 58.000 -0.034 0.000 1.280 1237 F CB 0.335 39.117 39.000 -0.363 0.000 1.114 1237 F HN -0.370 nan 8.300 nan 0.000 0.546 1238 V N 1.726 121.877 119.914 0.394 0.000 2.378 1238 V HA 0.341 4.461 4.120 -0.000 0.000 0.288 1238 V C -2.406 174.015 176.094 0.545 0.000 1.016 1238 V CA -2.330 60.231 62.300 0.435 0.000 0.840 1238 V CB 1.193 33.321 31.823 0.508 0.000 0.994 1238 V HN -0.100 nan 8.190 nan 0.000 0.431 1239 P HA -0.004 nan 4.420 nan 0.000 0.260 1239 P C 1.029 178.343 177.300 0.023 0.000 1.172 1239 P CA 0.412 63.630 63.100 0.197 0.000 0.760 1239 P CB 0.448 32.221 31.700 0.122 0.000 0.773 1240 M N 4.148 123.693 119.600 -0.091 0.000 2.260 1240 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 1240 M C 1.162 177.053 176.300 -0.682 0.000 1.066 1240 M CA 1.975 56.906 55.300 -0.616 0.000 1.082 1240 M CB -0.317 32.130 32.600 -0.255 0.000 1.388 1240 M HN 0.344 nan 8.290 nan 0.000 0.419 1241 D N -0.150 120.074 120.400 -0.294 0.000 2.371 1241 D HA -0.082 4.558 4.640 -0.000 0.000 0.221 1241 D C 1.454 177.598 176.300 -0.260 0.000 0.986 1241 D CA 1.059 54.944 54.000 -0.190 0.000 0.899 1241 D CB -0.212 40.653 40.800 0.108 0.000 0.902 1241 D HN 0.481 nan 8.370 nan 0.000 0.530 1242 A N 1.061 123.638 122.820 -0.405 0.000 2.014 1242 A HA 0.159 4.479 4.320 -0.000 0.000 0.218 1242 A C 2.378 179.672 177.584 -0.483 0.000 1.163 1242 A CA 1.249 53.108 52.037 -0.297 0.000 0.652 1242 A CB -0.876 18.074 19.000 -0.083 0.000 0.808 1242 A HN 0.363 nan 8.150 nan 0.000 0.449 1243 G N -0.212 107.942 108.800 -1.076 0.000 2.402 1243 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.216 1243 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.216 1243 G C 1.293 176.018 174.900 -0.290 0.000 1.162 1243 G CA 0.968 45.626 45.100 -0.736 0.000 0.777 1243 G HN 0.334 nan 8.290 nan 0.000 0.539 1244 L N 0.458 121.507 121.223 -0.289 0.000 2.131 1244 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 1244 L C 2.866 179.685 176.870 -0.085 0.000 1.092 1244 L CA 1.055 55.808 54.840 -0.145 0.000 0.759 1244 L CB -0.643 41.347 42.059 -0.116 0.000 0.903 1244 L HN 0.142 nan 8.230 nan 0.000 0.435 1245 R N -1.168 119.278 120.500 -0.090 0.000 2.075 1245 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 1245 R C 2.030 178.323 176.300 -0.012 0.000 1.126 1245 R CA 0.927 57.005 56.100 -0.037 0.000 0.963 1245 R CB -0.417 29.867 30.300 -0.027 0.000 0.858 1245 R HN 0.229 nan 8.270 nan 0.000 0.435 1246 L N 1.102 122.321 121.223 -0.006 0.000 2.046 1246 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 1246 L C 2.385 179.267 176.870 0.020 0.000 1.077 1246 L CA 1.338 56.198 54.840 0.034 0.000 0.747 1246 L CB -1.333 40.776 42.059 0.084 0.000 0.896 1246 L HN 0.242 nan 8.230 nan 0.000 0.432 1247 L N -0.941 120.281 121.223 -0.002 0.000 2.012 1247 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 1247 L C 2.369 179.237 176.870 -0.003 0.000 1.073 1247 L CA 1.773 56.610 54.840 -0.005 0.000 0.748 1247 L CB -0.432 41.611 42.059 -0.027 0.000 0.891 1247 L HN 0.286 nan 8.230 nan 0.000 0.431 1248 S N -0.282 115.413 115.700 -0.008 0.000 2.406 1248 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 1248 S C 1.760 176.363 174.600 0.005 0.000 1.020 1248 S CA 0.913 59.111 58.200 -0.003 0.000 0.965 1248 S CB -0.251 62.946 63.200 -0.005 0.000 0.798 1248 S HN 0.691 nan 8.310 nan 0.000 0.488 1249 G N 0.817 109.624 108.800 0.011 0.000 2.453 1249 G HA2 0.178 4.138 3.960 -0.000 0.000 0.215 1249 G HA3 0.178 4.138 3.960 -0.000 0.000 0.215 1249 G C 0.472 175.383 174.900 0.018 0.000 1.147 1249 G CA -0.074 45.036 45.100 0.016 0.000 0.802 1249 G HN 0.424 nan 8.290 nan 0.000 0.535 1250 I N 2.164 122.747 120.570 0.022 0.000 2.291 1250 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 1250 I C 0.761 176.894 176.117 0.027 0.000 1.050 1250 I CA -0.839 60.476 61.300 0.026 0.000 1.245 1250 I CB 1.346 39.367 38.000 0.035 0.000 1.405 1250 I HN 0.069 nan 8.210 nan 0.000 0.478 1251 A N 4.769 127.603 122.820 0.024 0.000 2.561 1251 A HA 0.351 4.671 4.320 -0.000 0.000 0.234 1251 A C 1.494 179.099 177.584 0.035 0.000 1.055 1251 A CA 0.654 52.705 52.037 0.024 0.000 0.756 1251 A CB -0.286 18.725 19.000 0.019 0.000 0.986 1251 A HN 1.234 nan 8.150 nan 0.000 0.505 1252 G N 1.319 110.140 108.800 0.034 0.000 2.180 1252 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.263 1252 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.263 1252 G C 0.633 175.575 174.900 0.071 0.000 0.989 1252 G CA 1.308 46.437 45.100 0.048 0.000 0.692 1252 G HN 2.191 nan 8.290 nan 0.000 0.526 1253 S N -0.956 114.779 115.700 0.058 0.000 2.655 1253 S HA 0.723 5.193 4.470 -0.000 0.000 0.265 1253 S C -0.101 174.519 174.600 0.032 0.000 1.240 1253 S CA -0.131 58.104 58.200 0.059 0.000 0.986 1253 S CB 2.019 65.243 63.200 0.038 0.000 0.985 1253 S HN 0.487 nan 8.310 nan 0.000 0.562 1254 E N -0.474 119.722 120.200 -0.006 0.000 2.340 1254 E HA 0.579 4.929 4.350 -0.000 0.000 0.273 1254 E C -1.722 174.850 176.600 -0.048 0.000 0.891 1254 E CA -0.841 55.545 56.400 -0.025 0.000 0.757 1254 E CB 2.048 31.736 29.700 -0.019 0.000 1.231 1254 E HN 0.455 nan 8.360 nan 0.000 0.439 1255 L N 1.838 123.044 121.223 -0.029 0.000 2.362 1255 L HA 0.455 4.795 4.340 -0.000 0.000 0.275 1255 L C -1.585 175.272 176.870 -0.022 0.000 0.998 1255 L CA -0.416 54.416 54.840 -0.013 0.000 0.820 1255 L CB 1.395 43.438 42.059 -0.026 0.000 1.270 1255 L HN 0.603 nan 8.230 nan 0.000 0.415 1256 H N 4.548 123.553 119.070 -0.108 0.000 2.646 1256 H HA 0.684 5.240 4.556 -0.000 0.000 0.328 1256 H C -1.221 173.966 175.328 -0.234 0.000 0.998 1256 H CA -0.370 55.549 56.048 -0.214 0.000 1.225 1256 H CB 1.082 30.678 29.762 -0.276 0.000 1.457 1256 H HN 0.625 nan 8.280 nan 0.000 0.505 1257 I N 5.451 125.732 120.570 -0.481 0.000 2.378 1257 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 1257 I C -0.797 175.047 176.117 -0.454 0.000 0.992 1257 I CA -0.714 60.414 61.300 -0.286 0.000 1.154 1257 I CB 1.219 39.130 38.000 -0.149 0.000 1.315 1257 I HN 0.450 nan 8.210 nan 0.000 0.448 1258 F N 5.124 124.999 119.950 -0.125 0.000 2.410 1258 F HA 0.423 4.950 4.527 0.000 0.000 0.349 1258 F C 1.420 177.089 175.800 -0.219 0.000 1.117 1258 F CA -0.374 57.472 58.000 -0.257 0.000 1.104 1258 F CB 1.222 39.911 39.000 -0.519 0.000 1.122 1258 F HN 0.471 nan 8.300 nan 0.000 0.483 1259 R N 1.129 121.591 120.500 -0.064 0.000 2.070 1259 R HA -0.074 4.266 4.340 -0.000 0.000 0.227 1259 R C -0.054 176.070 176.300 -0.292 0.000 1.147 1259 R CA 1.319 57.341 56.100 -0.130 0.000 0.924 1259 R CB -0.127 30.099 30.300 -0.124 0.000 0.827 1259 R HN 0.537 nan 8.270 nan 0.000 0.431 1260 D N 0.552 120.700 120.400 -0.418 0.000 2.671 1260 D HA 0.089 4.729 4.640 -0.000 0.000 0.228 1260 D C -0.847 175.126 176.300 -0.545 0.000 1.102 1260 D CA 0.279 53.614 54.000 -1.110 0.000 1.044 1260 D CB -0.109 40.303 40.800 -0.648 0.000 1.113 1260 D HN 0.151 nan 8.370 nan 0.000 0.480 1261 C N 0.286 119.397 119.300 -0.314 0.000 2.985 1261 C HA 0.730 5.190 4.460 -0.000 0.000 0.332 1261 C C 0.972 176.057 174.990 0.158 0.000 1.164 1261 C CA -0.505 58.580 59.018 0.112 0.000 1.347 1261 C CB 1.077 28.877 27.740 0.100 0.000 1.764 1261 C HN 0.488 nan 8.230 nan 0.000 0.489 1262 G N 1.864 110.781 108.800 0.196 0.000 2.829 1262 G HA2 0.185 4.145 3.960 -0.000 0.000 0.173 1262 G HA3 0.185 4.145 3.960 -0.000 0.000 0.173 1262 G C 0.840 175.727 174.900 -0.021 0.000 1.476 1262 G CA 0.374 45.550 45.100 0.128 0.000 1.072 1262 G HN 0.954 nan 8.290 nan 0.000 0.577 1263 H N -1.502 117.338 119.070 -0.383 0.000 2.544 1263 H HA 0.005 4.561 4.556 -0.000 0.000 0.269 1263 H C 0.032 175.038 175.328 -0.537 0.000 0.970 1263 H CA 0.091 55.805 56.048 -0.556 0.000 1.219 1263 H CB 0.282 29.511 29.762 -0.888 0.000 1.421 1263 H HN 0.299 nan 8.280 nan 0.000 0.555 1264 W N 2.073 122.930 121.300 -0.738 0.000 1.789 1264 W HA 0.464 5.124 4.660 -0.000 0.000 0.333 1264 W C 0.876 177.213 176.519 -0.304 0.000 0.724 1264 W CA -0.649 56.384 57.345 -0.520 0.000 2.024 1264 W CB -0.644 28.636 29.460 -0.300 0.000 2.064 1264 W HN 0.193 nan 8.180 nan 0.000 0.390 1265 A N 1.437 124.143 122.820 -0.191 0.000 1.908 1265 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 1265 A C 2.104 179.408 177.584 -0.467 0.000 1.181 1265 A CA 2.161 54.061 52.037 -0.229 0.000 0.627 1265 A CB -0.518 18.419 19.000 -0.104 0.000 0.818 1265 A HN 0.618 nan 8.150 nan 0.000 0.445 1266 Q N -1.859 117.480 119.800 -0.767 0.000 2.297 1266 Q HA -0.205 4.135 4.340 -0.000 0.000 0.208 1266 Q C 1.922 177.526 176.000 -0.660 0.000 0.981 1266 Q CA 1.521 56.614 55.803 -1.183 0.000 0.876 1266 Q CB -0.308 27.790 28.738 -1.067 0.000 0.921 1266 Q HN 0.938 nan 8.270 nan 0.000 0.446 1267 W N 1.615 122.314 121.300 -1.002 0.000 2.728 1267 W HA 0.123 4.783 4.660 -0.000 0.000 0.270 1267 W C 1.134 177.246 176.519 -0.678 0.000 1.150 1267 W CA 0.785 57.470 57.345 -1.101 0.000 1.518 1267 W CB 0.371 28.431 29.460 -2.334 0.000 1.069 1267 W HN 0.137 nan 8.180 nan 0.000 0.590 1268 E N -0.582 119.435 120.200 -0.305 0.000 2.204 1268 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 1268 E C 0.318 176.520 176.600 -0.663 0.000 0.990 1268 E CA 0.948 57.158 56.400 -0.316 0.000 0.821 1268 E CB -0.167 29.498 29.700 -0.059 0.000 0.750 1268 E HN 0.268 nan 8.360 nan 0.000 0.477 1269 H N -1.548 117.233 119.070 -0.482 0.000 2.779 1269 H HA 0.340 4.896 4.556 -0.000 0.000 0.230 1269 H C 0.776 175.889 175.328 -0.359 0.000 1.365 1269 H CA 0.149 55.886 56.048 -0.518 0.000 1.086 1269 H CB 0.796 29.946 29.762 -1.020 0.000 2.038 1269 H HN 0.085 nan 8.280 nan 0.000 0.558 1270 A N 0.913 123.559 122.820 -0.291 0.000 1.915 1270 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 1270 A C 1.935 179.502 177.584 -0.028 0.000 1.198 1270 A CA 2.110 54.042 52.037 -0.174 0.000 0.647 1270 A CB -0.068 18.740 19.000 -0.319 0.000 0.825 1270 A HN 0.334 nan 8.150 nan 0.000 0.456 1271 D N -0.274 120.080 120.400 -0.077 0.000 2.097 1271 D HA -0.035 4.605 4.640 -0.000 0.000 0.195 1271 D C 2.281 178.594 176.300 0.022 0.000 0.989 1271 D CA 1.624 55.605 54.000 -0.031 0.000 0.827 1271 D CB -0.550 40.219 40.800 -0.051 0.000 0.966 1271 D HN 0.461 nan 8.370 nan 0.000 0.456 1272 A N 0.508 123.364 122.820 0.060 0.000 1.898 1272 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 1272 A C 2.092 179.771 177.584 0.159 0.000 1.181 1272 A CA 0.846 52.966 52.037 0.139 0.000 0.620 1272 A CB -0.947 18.232 19.000 0.300 0.000 0.819 1272 A HN 0.218 nan 8.150 nan 0.000 0.442 1273 F N 1.746 121.716 119.950 0.034 0.000 2.095 1273 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 1273 F C 2.037 177.834 175.800 -0.005 0.000 1.104 1273 F CA 2.121 60.145 58.000 0.039 0.000 1.232 1273 F CB -0.263 38.727 39.000 -0.017 0.000 0.987 1273 F HN 0.216 nan 8.300 nan 0.000 0.475 1274 N N 0.421 119.122 118.700 0.001 0.000 2.166 1274 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 1274 N C 1.911 177.332 175.510 -0.147 0.000 1.019 1274 N CA 1.421 54.410 53.050 -0.102 0.000 0.856 1274 N CB -0.738 37.751 38.487 0.003 0.000 0.993 1274 N HN 0.544 nan 8.380 nan 0.000 0.426 1275 Q N 0.736 120.481 119.800 -0.092 0.000 2.020 1275 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 1275 Q C 2.194 178.118 176.000 -0.126 0.000 0.982 1275 Q CA 1.005 56.758 55.803 -0.082 0.000 0.838 1275 Q CB -0.105 28.607 28.738 -0.044 0.000 0.899 1275 Q HN 0.304 nan 8.270 nan 0.000 0.423 1276 L N -0.246 120.867 121.223 -0.185 0.000 2.012 1276 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 1276 L C 2.428 179.161 176.870 -0.227 0.000 1.073 1276 L CA 1.077 55.775 54.840 -0.237 0.000 0.748 1276 L CB -0.376 41.475 42.059 -0.346 0.000 0.891 1276 L HN 0.186 nan 8.230 nan 0.000 0.431 1277 V N -0.604 119.090 119.914 -0.367 0.000 2.270 1277 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 1277 V C 2.386 178.382 176.094 -0.163 0.000 1.043 1277 V CA 1.255 63.359 62.300 -0.325 0.000 1.014 1277 V CB -0.372 31.131 31.823 -0.534 0.000 0.645 1277 V HN 0.252 nan 8.190 nan 0.000 0.447 1278 L N 0.428 121.566 121.223 -0.141 0.000 2.013 1278 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 1278 L C 2.173 179.026 176.870 -0.030 0.000 1.073 1278 L CA 2.037 56.844 54.840 -0.054 0.000 0.753 1278 L CB -1.874 40.167 42.059 -0.030 0.000 0.890 1278 L HN 0.468 nan 8.230 nan 0.000 0.432 1279 N N -1.442 117.237 118.700 -0.035 0.000 2.084 1279 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 1279 N C 1.873 177.387 175.510 0.007 0.000 1.030 1279 N CA 1.177 54.218 53.050 -0.015 0.000 0.849 1279 N CB -0.259 38.219 38.487 -0.016 0.000 1.012 1279 N HN 0.158 nan 8.380 nan 0.000 0.423 1280 F N 1.760 121.626 119.950 -0.141 0.000 2.069 1280 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 1280 F C 1.892 177.598 175.800 -0.157 0.000 1.113 1280 F CA 1.036 58.952 58.000 -0.140 0.000 1.214 1280 F CB -0.370 38.531 39.000 -0.165 0.000 0.978 1280 F HN -0.060 nan 8.300 nan 0.000 0.474 1281 L N 0.301 121.417 121.223 -0.180 0.000 2.261 1281 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 1281 L C 2.418 179.156 176.870 -0.219 0.000 1.114 1281 L CA 1.701 56.320 54.840 -0.369 0.000 0.777 1281 L CB -1.699 40.087 42.059 -0.455 0.000 0.910 1281 L HN 0.279 nan 8.230 nan 0.000 0.440 1282 A N -1.388 121.366 122.820 -0.110 0.000 2.218 1282 A HA 0.040 4.360 4.320 -0.000 0.000 0.209 1282 A C 1.276 178.803 177.584 -0.095 0.000 1.168 1282 A CA -0.132 51.876 52.037 -0.049 0.000 0.804 1282 A CB -0.311 18.680 19.000 -0.015 0.000 0.834 1282 A HN 0.257 nan 8.150 nan 0.000 0.482 1283 R N 1.059 121.452 120.500 -0.178 0.000 2.694 1283 R HA 0.253 4.593 4.340 -0.000 0.000 0.268 1283 R C -2.050 174.165 176.300 -0.142 0.000 1.061 1283 R CA -1.309 54.690 56.100 -0.169 0.000 1.133 1283 R CB -0.038 30.106 30.300 -0.259 0.000 1.020 1283 R HN 0.275 nan 8.270 nan 0.000 0.475 1284 P HA 0.000 nan 4.420 nan 0.000 0.216 1284 P CA 0.000 63.062 63.100 -0.064 0.000 0.800 1284 P CB 0.000 31.674 31.700 -0.044 0.000 0.726