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 117e_1_B DATA FIRST_RESID 1001 DATA SEQUENCE TYTTRQIGAK NTLEYKVYIE KDGKPVSAFH DIPLYADKEN NIFNMVVEIP DATA SEQUENCE RWTNAKLEIT KEETLNPIIQ DTKKGKLRFV RNCFPHHGYI HNYGAFPQTW DATA SEQUENCE EDPNVSHPET KAVGDNEPID VLEIGETIAY TGQVKQVKAL GIMALLDEGE DATA SEQUENCE TDWKVIAIDI NDPLAPKLND IEDVEKYFPG LLRATNEWFR IYKIPDGKPE DATA SEQUENCE NQFAFSGEAK NKKYALDIIK ETHDSWKQLI AGKSSDSKGI DLTNVTLPDT DATA SEQUENCE PTYSKAASDA IPPASLKADA PIDKSIDKWF FI 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 1001 T HA 0.000 nan 4.350 nan 0.000 0.228 1001 T C 0.000 174.558 174.700 -0.236 0.000 1.109 1001 T CA 0.000 61.980 62.100 -0.200 0.000 1.349 1001 T CB 0.000 68.827 68.868 -0.068 0.000 0.612 1002 Y N 2.272 122.597 120.300 0.041 0.000 2.342 1002 Y HA 0.732 5.281 4.550 -0.000 0.000 0.334 1002 Y C 1.205 177.147 175.900 0.070 0.000 1.067 1002 Y CA -0.491 57.638 58.100 0.048 0.000 1.128 1002 Y CB 1.827 40.309 38.460 0.037 0.000 1.200 1002 Y HN 0.948 nan 8.280 nan 0.000 0.464 1003 T N -1.998 112.711 114.554 0.259 0.000 2.778 1003 T HA 0.767 5.117 4.350 -0.000 0.000 0.293 1003 T C -0.507 174.305 174.700 0.186 0.000 1.144 1003 T CA -0.978 61.239 62.100 0.194 0.000 1.010 1003 T CB 1.639 70.584 68.868 0.127 0.000 1.325 1003 T HN 0.532 nan 8.240 nan 0.000 0.515 1004 T N -1.074 113.582 114.554 0.170 0.000 2.887 1004 T HA 0.691 5.041 4.350 -0.000 0.000 0.288 1004 T C -0.620 174.156 174.700 0.127 0.000 1.021 1004 T CA -0.997 61.195 62.100 0.153 0.000 1.000 1004 T CB 1.793 70.770 68.868 0.181 0.000 1.034 1004 T HN 0.944 nan 8.240 nan 0.000 0.467 1005 R N 2.032 122.614 120.500 0.136 0.000 2.360 1005 R HA 0.383 4.723 4.340 -0.000 0.000 0.318 1005 R C -0.656 175.729 176.300 0.142 0.000 0.950 1005 R CA -0.547 55.626 56.100 0.122 0.000 0.837 1005 R CB 1.229 31.591 30.300 0.104 0.000 1.165 1005 R HN 0.840 nan 8.270 nan 0.000 0.458 1006 Q N 5.222 125.087 119.800 0.109 0.000 2.241 1006 Q HA 0.323 4.663 4.340 -0.000 0.000 0.254 1006 Q C -0.795 175.268 176.000 0.105 0.000 0.917 1006 Q CA -0.761 55.100 55.803 0.098 0.000 0.919 1006 Q CB 1.183 30.002 28.738 0.135 0.000 1.237 1006 Q HN 0.526 nan 8.270 nan 0.000 0.434 1007 I N 3.759 124.381 120.570 0.086 0.000 2.378 1007 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 1007 I C 0.907 177.105 176.117 0.135 0.000 0.992 1007 I CA 0.435 61.797 61.300 0.103 0.000 1.154 1007 I CB 0.280 38.350 38.000 0.117 0.000 1.315 1007 I HN 0.962 nan 8.210 nan 0.000 0.448 1008 G N 5.176 114.057 108.800 0.134 0.000 2.645 1008 G HA2 0.005 3.965 3.960 -0.000 0.000 0.246 1008 G HA3 0.005 3.965 3.960 -0.000 0.000 0.246 1008 G C -0.321 174.699 174.900 0.199 0.000 1.322 1008 G CA -0.111 45.081 45.100 0.153 0.000 0.898 1008 G HN 1.076 nan 8.290 nan 0.000 0.573 1009 A N -0.316 122.602 122.820 0.163 0.000 2.324 1009 A HA 0.732 5.052 4.320 -0.000 0.000 0.330 1009 A C 0.511 178.073 177.584 -0.037 0.000 1.165 1009 A CA 0.417 52.506 52.037 0.086 0.000 0.813 1009 A CB 1.132 20.155 19.000 0.038 0.000 1.197 1009 A HN 0.994 nan 8.150 nan 0.000 0.484 1010 K N 1.701 121.921 120.400 -0.301 0.000 2.414 1010 K HA 0.010 4.330 4.320 -0.000 0.000 0.272 1010 K C -0.288 176.067 176.600 -0.408 0.000 0.993 1010 K CA 0.465 56.206 56.287 -0.909 0.000 0.964 1010 K CB 0.040 32.147 32.500 -0.656 0.000 0.925 1010 K HN 0.791 nan 8.250 nan 0.000 0.487 1011 N N 0.801 119.276 118.700 -0.376 0.000 2.862 1011 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 1011 N C -0.920 174.595 175.510 0.008 0.000 1.116 1011 N CA 1.424 54.437 53.050 -0.061 0.000 0.727 1011 N CB -1.771 36.739 38.487 0.039 0.000 1.083 1011 N HN 0.857 nan 8.380 nan 0.000 0.555 1012 T N -3.544 111.009 114.554 -0.001 0.000 2.883 1012 T HA 0.655 5.005 4.350 -0.000 0.000 0.296 1012 T C 1.226 175.978 174.700 0.086 0.000 1.117 1012 T CA -0.950 61.185 62.100 0.057 0.000 1.006 1012 T CB 1.572 70.479 68.868 0.066 0.000 1.191 1012 T HN -0.032 nan 8.240 nan 0.000 0.508 1013 L N 0.199 121.464 121.223 0.070 0.000 2.275 1013 L HA 0.063 4.403 4.340 -0.000 0.000 0.215 1013 L C 2.061 178.977 176.870 0.076 0.000 1.119 1013 L CA 1.122 55.998 54.840 0.061 0.000 0.790 1013 L CB -0.380 41.706 42.059 0.044 0.000 0.919 1013 L HN 0.716 nan 8.230 nan 0.000 0.443 1014 E N -1.465 118.793 120.200 0.096 0.000 2.474 1014 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 1014 E C -0.029 176.650 176.600 0.132 0.000 1.041 1014 E CA -0.162 56.295 56.400 0.095 0.000 0.874 1014 E CB -0.003 29.748 29.700 0.086 0.000 0.914 1014 E HN 0.225 nan 8.360 nan 0.000 0.498 1015 Y N 2.454 122.761 120.300 0.012 0.000 2.620 1015 Y HA 0.054 4.604 4.550 -0.000 0.000 0.330 1015 Y C -0.162 175.729 175.900 -0.014 0.000 1.186 1015 Y CA 0.068 58.173 58.100 0.008 0.000 1.467 1015 Y CB 0.306 38.767 38.460 0.001 0.000 1.262 1015 Y HN -0.271 nan 8.280 nan 0.000 0.550 1016 K N 4.760 124.844 120.400 -0.526 0.000 2.542 1016 K HA 0.547 4.867 4.320 -0.000 0.000 0.259 1016 K C -1.963 174.286 176.600 -0.586 0.000 0.932 1016 K CA -0.979 54.980 56.287 -0.547 0.000 0.820 1016 K CB 2.474 34.826 32.500 -0.247 0.000 1.345 1016 K HN 0.377 nan 8.250 nan 0.000 0.432 1017 V N 3.360 122.923 119.914 -0.585 0.000 2.447 1017 V HA 0.354 4.474 4.120 -0.000 0.000 0.292 1017 V C -1.278 174.638 176.094 -0.297 0.000 1.021 1017 V CA -0.870 61.231 62.300 -0.331 0.000 0.850 1017 V CB 0.721 32.386 31.823 -0.263 0.000 1.005 1017 V HN 0.610 nan 8.190 nan 0.000 0.426 1018 Y N 4.080 124.336 120.300 -0.074 0.000 2.376 1018 Y HA 0.629 5.179 4.550 -0.000 0.000 0.325 1018 Y C 0.392 176.285 175.900 -0.011 0.000 1.199 1018 Y CA -0.715 57.361 58.100 -0.040 0.000 1.206 1018 Y CB 1.579 40.027 38.460 -0.020 0.000 1.229 1018 Y HN 0.433 nan 8.280 nan 0.000 0.480 1019 I N 2.584 123.246 120.570 0.154 0.000 2.377 1019 I HA 0.282 4.452 4.170 -0.000 0.000 0.293 1019 I C -0.668 175.549 176.117 0.166 0.000 0.987 1019 I CA -0.565 60.800 61.300 0.108 0.000 1.185 1019 I CB 1.304 39.297 38.000 -0.012 0.000 1.341 1019 I HN 0.603 nan 8.210 nan 0.000 0.455 1020 E N 4.981 125.297 120.200 0.193 0.000 2.207 1020 E HA 0.459 4.809 4.350 -0.000 0.000 0.270 1020 E C -0.945 175.806 176.600 0.251 0.000 0.927 1020 E CA -1.118 55.392 56.400 0.183 0.000 0.799 1020 E CB 2.125 31.896 29.700 0.118 0.000 1.172 1020 E HN 0.133 nan 8.360 nan 0.000 0.404 1021 K N 2.166 122.671 120.400 0.174 0.000 2.339 1021 K HA 0.137 4.457 4.320 -0.000 0.000 0.264 1021 K C -1.153 175.452 176.600 0.008 0.000 0.986 1021 K CA -0.495 55.830 56.287 0.064 0.000 0.866 1021 K CB 0.333 32.886 32.500 0.089 0.000 1.103 1021 K HN 0.445 nan 8.250 nan 0.000 0.441 1022 D N 3.966 124.345 120.400 -0.035 0.000 2.708 1022 D HA -0.218 4.422 4.640 -0.000 0.000 0.236 1022 D C 0.678 176.981 176.300 0.005 0.000 1.146 1022 D CA 1.796 55.783 54.000 -0.021 0.000 0.662 1022 D CB -1.191 39.592 40.800 -0.028 0.000 1.059 1022 D HN 0.985 nan 8.370 nan 0.000 0.428 1023 G N -1.816 106.998 108.800 0.023 0.000 2.241 1023 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 1023 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 1023 G C 0.456 175.371 174.900 0.025 0.000 0.998 1023 G CA 1.091 46.206 45.100 0.025 0.000 0.621 1023 G HN 1.052 nan 8.290 nan 0.000 0.519 1024 K N 1.077 121.495 120.400 0.030 0.000 2.206 1024 K HA 0.810 5.130 4.320 -0.000 0.000 0.264 1024 K C -2.538 174.091 176.600 0.048 0.000 0.967 1024 K CA -1.457 54.845 56.287 0.024 0.000 0.844 1024 K CB 0.923 33.434 32.500 0.019 0.000 1.099 1024 K HN 0.182 nan 8.250 nan 0.000 0.441 1025 P HA 0.184 nan 4.420 nan 0.000 0.268 1025 P C -0.329 177.020 177.300 0.082 0.000 1.204 1025 P CA -0.306 62.823 63.100 0.049 0.000 0.768 1025 P CB 0.862 32.527 31.700 -0.058 0.000 0.842 1026 V N -0.352 119.641 119.914 0.131 0.000 3.102 1026 V HA 0.618 4.738 4.120 -0.000 0.000 0.312 1026 V C -0.060 176.118 176.094 0.139 0.000 1.135 1026 V CA -1.175 61.209 62.300 0.139 0.000 1.022 1026 V CB 1.796 33.723 31.823 0.174 0.000 1.056 1026 V HN 0.434 nan 8.190 nan 0.000 0.436 1027 S N 1.364 117.148 115.700 0.139 0.000 2.465 1027 S HA 0.447 4.917 4.470 -0.000 0.000 0.280 1027 S C 1.382 176.011 174.600 0.048 0.000 1.232 1027 S CA 0.104 58.370 58.200 0.108 0.000 1.066 1027 S CB 0.596 63.882 63.200 0.143 0.000 0.929 1027 S HN 1.750 nan 8.310 nan 0.000 0.494 1028 A N 5.619 128.443 122.820 0.006 0.000 2.125 1028 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 1028 A C 1.544 179.094 177.584 -0.057 0.000 1.156 1028 A CA 0.958 52.958 52.037 -0.063 0.000 0.671 1028 A CB -0.532 18.408 19.000 -0.100 0.000 0.794 1028 A HN 0.885 nan 8.150 nan 0.000 0.459 1029 F N -0.211 119.569 119.950 -0.283 0.000 2.274 1029 F HA 0.118 4.645 4.527 -0.000 0.000 0.288 1029 F C 1.957 177.546 175.800 -0.351 0.000 1.069 1029 F CA 1.456 59.215 58.000 -0.401 0.000 1.343 1029 F CB -0.464 38.141 39.000 -0.658 0.000 1.089 1029 F HN 0.449 nan 8.300 nan 0.000 0.517 1030 H N -2.443 116.795 119.070 0.279 0.000 2.788 1030 H HA 0.180 4.736 4.556 -0.000 0.000 0.262 1030 H C 1.136 176.587 175.328 0.205 0.000 0.968 1030 H CA 0.515 56.725 56.048 0.271 0.000 1.218 1030 H CB 0.260 30.250 29.762 0.381 0.000 1.443 1030 H HN 0.057 nan 8.280 nan 0.000 0.478 1031 D N 0.920 121.463 120.400 0.238 0.000 2.333 1031 D HA 0.042 4.682 4.640 -0.000 0.000 0.208 1031 D C 0.389 176.778 176.300 0.148 0.000 0.984 1031 D CA 0.427 54.553 54.000 0.210 0.000 0.873 1031 D CB 0.653 41.575 40.800 0.203 0.000 0.935 1031 D HN 0.365 nan 8.370 nan 0.000 0.521 1032 I N 3.282 123.882 120.570 0.050 0.000 2.363 1032 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 1032 I C -2.216 173.885 176.117 -0.027 0.000 1.075 1032 I CA -1.791 59.502 61.300 -0.012 0.000 1.333 1032 I CB 0.784 38.663 38.000 -0.200 0.000 1.415 1032 I HN -0.392 nan 8.210 nan 0.000 0.502 1033 P HA -0.080 nan 4.420 nan 0.000 0.265 1033 P C 0.565 177.807 177.300 -0.097 0.000 1.187 1033 P CA -0.150 62.955 63.100 0.008 0.000 0.766 1033 P CB 0.724 32.469 31.700 0.075 0.000 0.820 1034 L N 3.765 124.864 121.223 -0.206 0.000 2.141 1034 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 1034 L C 0.173 176.756 176.870 -0.477 0.000 1.094 1034 L CA 1.618 56.213 54.840 -0.408 0.000 0.763 1034 L CB -0.690 40.959 42.059 -0.684 0.000 0.908 1034 L HN 0.230 nan 8.230 nan 0.000 0.437 1035 Y N -1.144 119.006 120.300 -0.249 0.000 2.330 1035 Y HA 0.526 5.076 4.550 -0.000 0.000 0.336 1035 Y C 1.066 176.849 175.900 -0.194 0.000 1.036 1035 Y CA -0.193 57.715 58.100 -0.320 0.000 1.125 1035 Y CB 1.467 39.726 38.460 -0.336 0.000 1.194 1035 Y HN -0.009 nan 8.280 nan 0.000 0.469 1036 A N 1.352 124.149 122.820 -0.037 0.000 1.943 1036 A HA 0.032 4.352 4.320 -0.000 0.000 0.213 1036 A C 0.128 177.696 177.584 -0.026 0.000 1.181 1036 A CA 1.192 53.224 52.037 -0.009 0.000 0.653 1036 A CB 0.154 19.148 19.000 -0.011 0.000 0.833 1036 A HN 0.626 nan 8.150 nan 0.000 0.451 1037 D N -1.203 119.159 120.400 -0.064 0.000 2.323 1037 D HA 0.205 4.845 4.640 -0.000 0.000 0.242 1037 D C 0.384 176.574 176.300 -0.182 0.000 1.347 1037 D CA -0.377 53.563 54.000 -0.100 0.000 0.988 1037 D CB 0.854 41.602 40.800 -0.087 0.000 1.314 1037 D HN 0.117 nan 8.370 nan 0.000 0.564 1038 K N 1.639 121.870 120.400 -0.282 0.000 2.097 1038 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 1038 K C 1.823 178.153 176.600 -0.450 0.000 1.049 1038 K CA 1.905 57.807 56.287 -0.641 0.000 0.933 1038 K CB 0.323 32.369 32.500 -0.757 0.000 0.717 1038 K HN 0.436 nan 8.250 nan 0.000 0.442 1039 E N 0.974 121.013 120.200 -0.268 0.000 2.153 1039 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 1039 E C 1.241 177.747 176.600 -0.156 0.000 0.988 1039 E CA 1.503 57.790 56.400 -0.188 0.000 0.811 1039 E CB -0.508 29.115 29.700 -0.129 0.000 0.746 1039 E HN 0.457 nan 8.360 nan 0.000 0.466 1040 N N 0.469 119.078 118.700 -0.152 0.000 2.214 1040 N HA -0.006 4.734 4.740 -0.000 0.000 0.214 1040 N C -0.464 174.968 175.510 -0.130 0.000 1.132 1040 N CA 0.222 53.206 53.050 -0.111 0.000 0.856 1040 N CB 0.533 38.972 38.487 -0.081 0.000 1.020 1040 N HN 0.283 nan 8.380 nan 0.000 0.509 1041 N N 1.357 119.932 118.700 -0.208 0.000 2.725 1041 N HA -0.163 4.577 4.740 -0.000 0.000 0.251 1041 N C -0.868 174.391 175.510 -0.419 0.000 1.031 1041 N CA 0.741 53.615 53.050 -0.294 0.000 0.720 1041 N CB -0.841 37.587 38.487 -0.099 0.000 0.930 1041 N HN 0.294 nan 8.380 nan 0.000 0.543 1042 I N 1.214 121.582 120.570 -0.336 0.000 2.304 1042 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 1042 I C 0.863 176.758 176.117 -0.369 0.000 1.018 1042 I CA -0.358 60.810 61.300 -0.221 0.000 1.260 1042 I CB -0.162 37.781 38.000 -0.095 0.000 1.390 1042 I HN -0.087 nan 8.210 nan 0.000 0.475 1043 F N 4.473 124.323 119.950 -0.167 0.000 2.403 1043 F HA 0.356 4.883 4.527 -0.000 0.000 0.326 1043 F C 0.946 176.633 175.800 -0.187 0.000 1.081 1043 F CA -0.562 57.204 58.000 -0.390 0.000 1.041 1043 F CB 0.745 39.175 39.000 -0.951 0.000 1.234 1043 F HN 0.377 nan 8.300 nan 0.000 0.503 1044 N N 1.972 120.658 118.700 -0.022 0.000 2.422 1044 N HA 0.373 5.112 4.740 -0.000 0.000 0.266 1044 N C -0.979 174.609 175.510 0.130 0.000 1.007 1044 N CA -0.548 52.515 53.050 0.023 0.000 0.941 1044 N CB 0.948 39.412 38.487 -0.037 0.000 1.115 1044 N HN 0.483 nan 8.380 nan 0.000 0.492 1045 M N 3.473 123.147 119.600 0.123 0.000 2.364 1045 M HA 0.382 4.862 4.480 -0.000 0.000 0.334 1045 M C -1.503 174.738 176.300 -0.097 0.000 1.107 1045 M CA -0.788 54.562 55.300 0.084 0.000 0.988 1045 M CB 1.358 33.956 32.600 -0.003 0.000 1.673 1045 M HN 0.122 nan 8.290 nan 0.000 0.441 1046 V N 5.669 125.490 119.914 -0.154 0.000 2.348 1046 V HA 0.242 4.362 4.120 -0.000 0.000 0.270 1046 V C -0.115 175.840 176.094 -0.232 0.000 1.037 1046 V CA -0.616 61.559 62.300 -0.208 0.000 0.872 1046 V CB 1.108 32.806 31.823 -0.209 0.000 1.002 1046 V HN 0.691 nan 8.190 nan 0.000 0.464 1047 V N 5.524 125.292 119.914 -0.244 0.000 2.555 1047 V HA 0.172 4.292 4.120 -0.000 0.000 0.286 1047 V C 0.935 176.913 176.094 -0.194 0.000 1.044 1047 V CA 0.261 62.419 62.300 -0.237 0.000 1.026 1047 V CB 1.201 32.864 31.823 -0.267 0.000 0.981 1047 V HN 0.975 nan 8.190 nan 0.000 0.480 1048 E N 3.627 123.735 120.200 -0.154 0.000 2.228 1048 E HA 0.337 4.687 4.350 -0.000 0.000 0.197 1048 E C -0.228 176.308 176.600 -0.107 0.000 0.909 1048 E CA 0.240 56.573 56.400 -0.111 0.000 0.911 1048 E CB 0.658 30.316 29.700 -0.071 0.000 0.887 1048 E HN 0.594 nan 8.360 nan 0.000 0.481 1049 I N 2.506 122.990 120.570 -0.143 0.000 2.439 1049 I HA 0.282 4.452 4.170 -0.000 0.000 0.285 1049 I C -2.608 173.392 176.117 -0.195 0.000 1.021 1049 I CA -2.635 58.524 61.300 -0.235 0.000 1.091 1049 I CB 1.995 39.641 38.000 -0.589 0.000 1.242 1049 I HN -0.191 nan 8.210 nan 0.000 0.439 1050 P HA 0.144 nan 4.420 nan 0.000 0.275 1050 P C -0.498 176.725 177.300 -0.129 0.000 1.227 1050 P CA -0.565 62.476 63.100 -0.099 0.000 0.781 1050 P CB 0.569 32.256 31.700 -0.021 0.000 0.906 1051 R N 2.974 123.348 120.500 -0.211 0.000 2.638 1051 R HA -0.094 4.246 4.340 -0.000 0.000 0.268 1051 R C -0.075 176.085 176.300 -0.235 0.000 1.006 1051 R CA 0.426 56.295 56.100 -0.384 0.000 1.088 1051 R CB -0.272 29.580 30.300 -0.748 0.000 0.950 1051 R HN 0.523 nan 8.270 nan 0.000 0.419 1052 W N 0.765 122.019 121.300 -0.078 0.000 3.456 1052 W HA -0.243 4.417 4.660 -0.000 0.000 0.314 1052 W C -0.134 176.199 176.519 -0.311 0.000 1.192 1052 W CA 1.031 58.239 57.345 -0.229 0.000 0.654 1052 W CB -2.888 26.484 29.460 -0.147 0.000 2.251 1052 W HN 0.721 nan 8.180 nan 0.000 1.360 1053 T N -2.668 111.917 114.554 0.051 0.000 2.950 1053 T HA 0.676 5.025 4.350 -0.000 0.000 0.288 1053 T C 0.785 175.589 174.700 0.175 0.000 1.035 1053 T CA 0.027 62.163 62.100 0.059 0.000 1.028 1053 T CB 2.120 71.016 68.868 0.047 0.000 1.109 1053 T HN -0.102 nan 8.240 nan 0.000 0.514 1054 N N -0.146 118.691 118.700 0.229 0.000 2.332 1054 N HA 0.341 5.081 4.740 -0.000 0.000 0.190 1054 N C 0.501 176.276 175.510 0.443 0.000 1.117 1054 N CA -0.006 53.270 53.050 0.377 0.000 0.883 1054 N CB 0.297 38.983 38.487 0.331 0.000 1.089 1054 N HN 0.916 nan 8.380 nan 0.000 0.480 1055 A N 1.280 124.327 122.820 0.378 0.000 2.537 1055 A HA 0.049 4.369 4.320 -0.000 0.000 0.260 1055 A C 0.424 177.992 177.584 -0.026 0.000 1.082 1055 A CA 0.154 52.244 52.037 0.090 0.000 0.765 1055 A CB -0.049 18.980 19.000 0.048 0.000 1.019 1055 A HN 0.036 nan 8.150 nan 0.000 0.507 1056 K N 4.037 124.394 120.400 -0.072 0.000 2.083 1056 K HA 0.318 4.638 4.320 -0.000 0.000 0.246 1056 K C -0.789 175.771 176.600 -0.066 0.000 1.160 1056 K CA 0.349 56.621 56.287 -0.026 0.000 1.060 1056 K CB -1.124 31.393 32.500 0.029 0.000 1.417 1056 K HN 0.579 nan 8.250 nan 0.000 0.329 1057 L N 3.492 124.669 121.223 -0.076 0.000 2.343 1057 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 1057 L C 0.153 176.991 176.870 -0.053 0.000 1.056 1057 L CA -0.530 54.284 54.840 -0.044 0.000 0.804 1057 L CB 1.211 43.269 42.059 -0.000 0.000 1.203 1057 L HN 0.636 nan 8.230 nan 0.000 0.440 1058 E N 1.604 121.770 120.200 -0.056 0.000 2.396 1058 E HA 0.381 4.731 4.350 -0.000 0.000 0.280 1058 E C -1.178 175.362 176.600 -0.100 0.000 1.065 1058 E CA -0.986 55.375 56.400 -0.065 0.000 0.831 1058 E CB 1.317 31.002 29.700 -0.027 0.000 1.272 1058 E HN 0.345 nan 8.360 nan 0.000 0.443 1059 I N 2.093 122.584 120.570 -0.132 0.000 2.742 1059 I HA -0.016 4.154 4.170 -0.000 0.000 0.287 1059 I C -0.043 176.008 176.117 -0.112 0.000 1.186 1059 I CA 0.738 61.942 61.300 -0.159 0.000 1.417 1059 I CB 0.254 38.109 38.000 -0.242 0.000 1.377 1059 I HN 0.473 nan 8.210 nan 0.000 0.556 1060 T N 7.363 121.864 114.554 -0.087 0.000 2.737 1060 T HA 0.122 4.471 4.350 -0.000 0.000 0.296 1060 T C 1.147 175.871 174.700 0.040 0.000 0.922 1060 T CA -0.593 61.488 62.100 -0.032 0.000 1.079 1060 T CB 0.922 69.760 68.868 -0.050 0.000 0.892 1060 T HN 0.530 nan 8.240 nan 0.000 0.514 1061 K N 1.991 122.444 120.400 0.088 0.000 2.155 1061 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 1061 K C 1.107 177.800 176.600 0.155 0.000 1.052 1061 K CA 1.017 57.422 56.287 0.197 0.000 0.948 1061 K CB 0.174 32.811 32.500 0.228 0.000 0.728 1061 K HN 0.453 nan 8.250 nan 0.000 0.448 1062 E N 0.688 120.947 120.200 0.098 0.000 2.444 1062 E HA 0.100 4.450 4.350 -0.000 0.000 0.191 1062 E C -0.703 175.935 176.600 0.063 0.000 1.041 1062 E CA 0.191 56.637 56.400 0.076 0.000 0.883 1062 E CB 0.469 30.206 29.700 0.061 0.000 1.024 1062 E HN 0.183 nan 8.360 nan 0.000 0.470 1063 E N 0.297 120.534 120.200 0.063 0.000 2.199 1063 E HA 0.269 4.619 4.350 -0.000 0.000 0.269 1063 E C -0.729 175.923 176.600 0.087 0.000 0.899 1063 E CA -0.589 55.847 56.400 0.061 0.000 0.772 1063 E CB 1.518 31.237 29.700 0.032 0.000 1.155 1063 E HN -0.037 nan 8.360 nan 0.000 0.408 1064 T N 3.664 118.277 114.554 0.097 0.000 2.908 1064 T HA 0.033 4.383 4.350 -0.000 0.000 0.301 1064 T C 1.197 175.996 174.700 0.164 0.000 1.019 1064 T CA 0.270 62.436 62.100 0.111 0.000 1.152 1064 T CB 0.069 68.987 68.868 0.082 0.000 0.966 1064 T HN 0.599 nan 8.240 nan 0.000 0.540 1065 L N 1.123 122.440 121.223 0.156 0.000 5.044 1065 L HA -0.284 4.056 4.340 -0.000 0.000 0.412 1065 L C 0.584 177.537 176.870 0.138 0.000 0.971 1065 L CA 0.568 55.519 54.840 0.186 0.000 1.411 1065 L CB -2.019 40.194 42.059 0.256 0.000 1.884 1065 L HN 0.945 nan 8.230 nan 0.000 0.631 1066 N N -1.817 116.932 118.700 0.081 0.000 2.714 1066 N HA -0.124 4.616 4.740 -0.000 0.000 0.253 1066 N C -2.197 173.234 175.510 -0.132 0.000 1.024 1066 N CA 0.648 53.697 53.050 -0.001 0.000 0.726 1066 N CB -0.766 37.747 38.487 0.042 0.000 0.908 1066 N HN 0.435 nan 8.380 nan 0.000 0.542 1067 P HA 0.048 nan 4.420 nan 0.000 0.269 1067 P C 0.408 177.468 177.300 -0.400 0.000 1.215 1067 P CA 0.081 62.797 63.100 -0.640 0.000 0.780 1067 P CB 0.785 31.589 31.700 -1.494 0.000 0.898 1068 I N 2.972 123.327 120.570 -0.357 0.000 2.533 1068 I HA 0.129 4.299 4.170 -0.000 0.000 0.284 1068 I C 0.754 176.699 176.117 -0.287 0.000 1.109 1068 I CA 0.389 61.535 61.300 -0.258 0.000 1.412 1068 I CB -0.155 37.720 38.000 -0.208 0.000 1.396 1068 I HN 0.175 nan 8.210 nan 0.000 0.543 1069 I N 5.551 126.012 120.570 -0.182 0.000 2.865 1069 I HA 0.245 4.415 4.170 -0.000 0.000 0.302 1069 I C -0.302 175.787 176.117 -0.046 0.000 1.140 1069 I CA -0.736 60.486 61.300 -0.131 0.000 1.021 1069 I CB 2.153 40.083 38.000 -0.118 0.000 1.233 1069 I HN 0.510 nan 8.210 nan 0.000 0.427 1070 Q N 3.203 123.009 119.800 0.011 0.000 2.286 1070 Q HA 0.099 4.439 4.340 -0.000 0.000 0.257 1070 Q C -0.722 175.245 176.000 -0.054 0.000 0.941 1070 Q CA -0.424 55.364 55.803 -0.025 0.000 0.912 1070 Q CB 1.038 29.749 28.738 -0.045 0.000 1.192 1070 Q HN 0.435 nan 8.270 nan 0.000 0.410 1071 D N 1.714 122.075 120.400 -0.065 0.000 2.382 1071 D HA 0.060 4.700 4.640 -0.000 0.000 0.240 1071 D C -0.515 175.745 176.300 -0.067 0.000 1.146 1071 D CA 0.305 54.276 54.000 -0.048 0.000 0.897 1071 D CB 0.937 41.719 40.800 -0.029 0.000 1.197 1071 D HN 0.617 nan 8.370 nan 0.000 0.432 1072 T N -0.452 114.079 114.554 -0.038 0.000 2.949 1072 T HA 0.595 4.945 4.350 -0.000 0.000 0.287 1072 T C -0.364 174.324 174.700 -0.019 0.000 1.034 1072 T CA -0.983 61.096 62.100 -0.034 0.000 1.018 1072 T CB 1.607 70.467 68.868 -0.013 0.000 1.135 1072 T HN 0.351 nan 8.240 nan 0.000 0.532 1073 K N 0.667 121.063 120.400 -0.008 0.000 2.716 1073 K HA 0.310 4.630 4.320 -0.000 0.000 0.249 1073 K C -0.933 175.676 176.600 0.015 0.000 1.004 1073 K CA -0.647 55.642 56.287 0.003 0.000 0.968 1073 K CB 0.372 32.876 32.500 0.007 0.000 1.214 1073 K HN 0.813 nan 8.250 nan 0.000 0.476 1074 K N 2.525 122.932 120.400 0.013 0.000 3.150 1074 K HA -0.250 4.070 4.320 -0.000 0.000 0.267 1074 K C 0.567 177.180 176.600 0.021 0.000 1.028 1074 K CA 0.823 57.120 56.287 0.017 0.000 0.753 1074 K CB -1.562 30.950 32.500 0.019 0.000 1.288 1074 K HN 1.168 nan 8.250 nan 0.000 0.473 1075 G N -2.293 106.518 108.800 0.018 0.000 2.267 1075 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.257 1075 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.257 1075 G C 0.174 175.090 174.900 0.027 0.000 0.998 1075 G CA 0.962 46.075 45.100 0.022 0.000 0.620 1075 G HN 0.796 nan 8.290 nan 0.000 0.529 1076 K N 0.377 120.795 120.400 0.031 0.000 2.166 1076 K HA 0.899 5.218 4.320 -0.000 0.000 0.245 1076 K C 0.444 177.055 176.600 0.018 0.000 0.967 1076 K CA -0.422 55.892 56.287 0.045 0.000 0.863 1076 K CB 0.734 33.278 32.500 0.073 0.000 1.107 1076 K HN 0.712 nan 8.250 nan 0.000 0.436 1077 L N 1.730 122.959 121.223 0.009 0.000 2.485 1077 L HA 0.258 4.598 4.340 -0.000 0.000 0.275 1077 L C 1.118 177.858 176.870 -0.217 0.000 1.207 1077 L CA -0.270 54.488 54.840 -0.136 0.000 0.855 1077 L CB 0.775 42.714 42.059 -0.201 0.000 1.114 1077 L HN 0.781 nan 8.230 nan 0.000 0.485 1078 R N 2.708 123.019 120.500 -0.314 0.000 2.294 1078 R HA 0.496 4.836 4.340 -0.000 0.000 0.319 1078 R C -1.574 174.498 176.300 -0.380 0.000 0.984 1078 R CA -0.421 55.552 56.100 -0.213 0.000 0.861 1078 R CB 0.711 30.957 30.300 -0.089 0.000 1.104 1078 R HN 0.336 nan 8.270 nan 0.000 0.451 1079 F N 2.750 122.735 119.950 0.058 0.000 2.532 1079 F HA 0.361 4.887 4.527 -0.000 0.000 0.321 1079 F C -0.010 175.842 175.800 0.086 0.000 1.089 1079 F CA -1.006 57.044 58.000 0.084 0.000 0.926 1079 F CB 1.994 41.040 39.000 0.076 0.000 1.168 1079 F HN 0.085 nan 8.300 nan 0.000 0.459 1080 V N 4.230 124.347 119.914 0.339 0.000 2.530 1080 V HA 0.350 4.470 4.120 -0.000 0.000 0.282 1080 V C 0.296 176.495 176.094 0.174 0.000 1.048 1080 V CA -0.852 61.584 62.300 0.226 0.000 0.997 1080 V CB 0.766 32.779 31.823 0.317 0.000 0.987 1080 V HN 0.555 nan 8.190 nan 0.000 0.477 1081 R N 3.170 123.686 120.500 0.026 0.000 2.615 1081 R HA 0.266 4.606 4.340 -0.000 0.000 0.270 1081 R C -0.129 176.237 176.300 0.109 0.000 1.081 1081 R CA -0.561 55.554 56.100 0.026 0.000 1.154 1081 R CB 0.059 30.192 30.300 -0.278 0.000 1.063 1081 R HN 0.593 nan 8.270 nan 0.000 0.519 1082 N N 0.692 119.555 118.700 0.273 0.000 2.442 1082 N HA 0.075 4.815 4.740 -0.000 0.000 0.265 1082 N C -0.680 175.138 175.510 0.512 0.000 1.138 1082 N CA 0.097 53.371 53.050 0.373 0.000 0.956 1082 N CB 0.639 39.291 38.487 0.275 0.000 1.067 1082 N HN 0.351 nan 8.380 nan 0.000 0.474 1083 C N 3.698 123.224 119.300 0.376 0.000 2.271 1083 C HA 0.280 4.740 4.460 -0.000 0.000 0.323 1083 C C 0.612 175.689 174.990 0.145 0.000 1.245 1083 C CA -1.196 57.946 59.018 0.207 0.000 1.548 1083 C CB -1.286 26.458 27.740 0.007 0.000 2.214 1083 C HN 0.663 nan 8.230 nan 0.000 0.477 1084 F N 7.050 126.691 119.950 -0.516 0.000 2.635 1084 F HA 0.165 4.692 4.527 -0.000 0.000 0.379 1084 F C -1.154 174.298 175.800 -0.581 0.000 1.094 1084 F CA -0.799 56.602 58.000 -0.998 0.000 1.300 1084 F CB 0.848 38.733 39.000 -1.857 0.000 1.035 1084 F HN 0.468 nan 8.300 nan 0.000 0.581 1085 P HA 0.056 nan 4.420 nan 0.000 0.254 1085 P C -0.913 176.197 177.300 -0.318 0.000 1.494 1085 P CA 0.241 62.428 63.100 -1.522 0.000 0.961 1085 P CB -0.122 30.633 31.700 -1.576 0.000 1.493 1086 H N 0.002 119.206 119.070 0.223 0.000 2.482 1086 H HA 0.256 4.812 4.556 -0.000 0.000 0.344 1086 H C -0.240 175.385 175.328 0.496 0.000 1.151 1086 H CA -0.180 56.091 56.048 0.371 0.000 1.300 1086 H CB 1.161 31.153 29.762 0.382 0.000 1.494 1086 H HN 0.211 nan 8.280 nan 0.000 0.542 1087 H N 0.900 120.193 119.070 0.371 0.000 2.718 1087 H HA 0.316 4.872 4.556 -0.000 0.000 0.295 1087 H C 0.709 176.240 175.328 0.338 0.000 1.051 1087 H CA 0.069 56.213 56.048 0.161 0.000 1.260 1087 H CB 0.019 29.717 29.762 -0.106 0.000 1.403 1087 H HN 1.010 nan 8.280 nan 0.000 0.488 1088 G N 3.329 112.298 108.800 0.281 0.000 2.566 1088 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.280 1088 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.280 1088 G C -0.812 174.320 174.900 0.386 0.000 1.225 1088 G CA 0.222 45.485 45.100 0.271 0.000 0.966 1088 G HN 0.614 nan 8.290 nan 0.000 0.560 1089 Y N 1.017 121.371 120.300 0.090 0.000 2.346 1089 Y HA 0.447 4.997 4.550 -0.000 0.000 0.330 1089 Y C 1.902 177.574 175.900 -0.380 0.000 1.178 1089 Y CA 0.347 58.288 58.100 -0.265 0.000 1.331 1089 Y CB 0.879 39.156 38.460 -0.306 0.000 1.253 1089 Y HN 0.606 nan 8.280 nan 0.000 0.529 1090 I N -0.824 119.338 120.570 -0.680 0.000 3.883 1090 I HA 0.277 4.447 4.170 -0.000 0.000 0.326 1090 I C -0.621 174.992 176.117 -0.840 0.000 1.283 1090 I CA 0.050 60.956 61.300 -0.657 0.000 1.161 1090 I CB -0.124 37.477 38.000 -0.665 0.000 1.012 1090 I HN 0.480 nan 8.210 nan 0.000 0.421 1091 H N -0.396 118.449 119.070 -0.375 0.000 2.865 1091 H HA 0.464 5.020 4.556 -0.000 0.000 0.372 1091 H C -0.699 174.494 175.328 -0.224 0.000 1.173 1091 H CA -1.068 54.808 56.048 -0.286 0.000 1.147 1091 H CB 0.355 29.997 29.762 -0.200 0.000 1.805 1091 H HN -0.076 nan 8.280 nan 0.000 0.553 1092 N N 1.476 120.117 118.700 -0.099 0.000 2.416 1092 N HA -0.016 4.724 4.740 -0.000 0.000 0.271 1092 N C -1.094 174.361 175.510 -0.091 0.000 1.245 1092 N CA 0.200 53.175 53.050 -0.125 0.000 0.940 1092 N CB -0.112 38.282 38.487 -0.154 0.000 1.175 1092 N HN 0.470 nan 8.380 nan 0.000 0.483 1093 Y N 1.471 121.646 120.300 -0.207 0.000 2.323 1093 Y HA 0.593 5.142 4.550 -0.000 0.000 0.331 1093 Y C 0.787 176.541 175.900 -0.243 0.000 1.092 1093 Y CA 0.009 57.985 58.100 -0.206 0.000 1.150 1093 Y CB 0.906 39.252 38.460 -0.190 0.000 1.200 1093 Y HN 0.550 nan 8.280 nan 0.000 0.472 1094 G N 1.949 110.349 108.800 -0.667 0.000 2.604 1094 G HA2 0.704 4.664 3.960 -0.000 0.000 0.242 1094 G HA3 0.704 4.664 3.960 -0.000 0.000 0.242 1094 G C -1.931 172.605 174.900 -0.606 0.000 1.208 1094 G CA -0.288 44.530 45.100 -0.470 0.000 0.912 1094 G HN 0.990 nan 8.290 nan 0.000 0.502 1095 A N -1.476 121.067 122.820 -0.461 0.000 2.588 1095 A HA 0.777 5.097 4.320 -0.000 0.000 0.290 1095 A C -2.095 175.276 177.584 -0.354 0.000 1.136 1095 A CA -0.574 51.189 52.037 -0.456 0.000 0.681 1095 A CB 1.237 20.047 19.000 -0.316 0.000 1.282 1095 A HN 0.748 nan 8.150 nan 0.000 0.421 1096 F N 1.577 121.362 119.950 -0.274 0.000 2.415 1096 F HA 0.520 5.047 4.527 -0.000 0.000 0.348 1096 F C -1.890 173.768 175.800 -0.236 0.000 1.119 1096 F CA -2.649 55.193 58.000 -0.264 0.000 1.069 1096 F CB 1.444 40.259 39.000 -0.308 0.000 1.124 1096 F HN 0.249 nan 8.300 nan 0.000 0.472 1097 P HA 0.041 nan 4.420 nan 0.000 0.272 1097 P C -0.804 176.342 177.300 -0.256 0.000 1.240 1097 P CA 0.025 63.050 63.100 -0.125 0.000 0.791 1097 P CB 0.628 32.241 31.700 -0.144 0.000 0.978 1098 Q N -2.653 116.842 119.800 -0.508 0.000 2.487 1098 Q HA -0.141 4.199 4.340 -0.000 0.000 0.279 1098 Q C -0.108 175.669 176.000 -0.371 0.000 1.228 1098 Q CA 1.002 55.926 55.803 -1.465 0.000 0.873 1098 Q CB -2.755 25.156 28.738 -1.378 0.000 1.260 1098 Q HN 0.813 nan 8.270 nan 0.000 0.471 1099 T N -3.637 110.977 114.554 0.101 0.000 2.883 1099 T HA 0.730 5.080 4.350 -0.000 0.000 0.301 1099 T C -1.583 173.507 174.700 0.651 0.000 1.158 1099 T CA -0.791 61.546 62.100 0.396 0.000 1.007 1099 T CB 2.489 71.496 68.868 0.231 0.000 1.186 1099 T HN 0.332 nan 8.240 nan 0.000 0.499 1100 W N 1.261 122.782 121.300 0.368 0.000 3.624 1100 W HA 0.458 5.118 4.660 -0.000 0.000 0.312 1100 W C -1.518 175.167 176.519 0.278 0.000 1.203 1100 W CA -0.765 56.796 57.345 0.361 0.000 1.225 1100 W CB 1.612 31.339 29.460 0.445 0.000 1.321 1100 W HN 0.715 nan 8.180 nan 0.000 0.506 1101 E N 3.815 124.015 120.200 -0.001 0.000 1.932 1101 E HA 0.019 4.369 4.350 -0.000 0.000 0.275 1101 E C -0.320 175.972 176.600 -0.513 0.000 1.159 1101 E CA -0.096 56.249 56.400 -0.092 0.000 0.905 1101 E CB 0.658 30.318 29.700 -0.067 0.000 1.059 1101 E HN 0.291 nan 8.360 nan 0.000 0.400 1102 D N 4.773 124.920 120.400 -0.422 0.000 2.426 1102 D HA -0.048 4.592 4.640 -0.000 0.000 0.261 1102 D C -1.428 174.669 176.300 -0.337 0.000 1.245 1102 D CA -1.427 52.160 54.000 -0.690 0.000 0.917 1102 D CB 0.950 41.568 40.800 -0.302 0.000 1.123 1102 D HN 0.157 nan 8.370 nan 0.000 0.508 1103 P HA -0.011 nan 4.420 nan 0.000 0.235 1103 P C 0.535 177.794 177.300 -0.068 0.000 1.177 1103 P CA 0.252 63.252 63.100 -0.166 0.000 0.785 1103 P CB 0.491 32.130 31.700 -0.102 0.000 0.885 1104 N N -0.162 118.491 118.700 -0.078 0.000 2.467 1104 N HA 0.031 4.771 4.740 -0.000 0.000 0.184 1104 N C 0.529 176.038 175.510 -0.002 0.000 1.106 1104 N CA 0.388 53.437 53.050 -0.003 0.000 0.892 1104 N CB 0.614 39.126 38.487 0.041 0.000 0.969 1104 N HN 0.139 nan 8.380 nan 0.000 0.454 1105 V N -0.589 119.318 119.914 -0.011 0.000 3.114 1105 V HA 0.350 4.470 4.120 -0.000 0.000 0.308 1105 V C -0.920 175.209 176.094 0.059 0.000 1.168 1105 V CA -0.831 61.467 62.300 -0.002 0.000 1.015 1105 V CB 2.386 34.179 31.823 -0.050 0.000 1.050 1105 V HN -0.018 nan 8.190 nan 0.000 0.433 1106 S N 2.727 118.461 115.700 0.057 0.000 2.513 1106 S HA 0.502 4.971 4.470 -0.000 0.000 0.276 1106 S C -0.731 173.954 174.600 0.141 0.000 1.254 1106 S CA -0.288 57.987 58.200 0.125 0.000 1.053 1106 S CB -0.019 63.217 63.200 0.061 0.000 0.958 1106 S HN 0.800 nan 8.310 nan 0.000 0.491 1107 H N 5.925 125.011 119.070 0.027 0.000 2.690 1107 H HA 0.253 4.809 4.556 -0.000 0.000 0.314 1107 H C -1.344 174.034 175.328 0.083 0.000 1.069 1107 H CA -1.662 54.437 56.048 0.084 0.000 1.436 1107 H CB 0.671 30.524 29.762 0.151 0.000 1.462 1107 H HN 0.454 nan 8.280 nan 0.000 0.511 1108 P HA -0.205 nan 4.420 nan 0.000 0.214 1108 P C 0.660 178.058 177.300 0.163 0.000 1.163 1108 P CA 1.347 64.528 63.100 0.135 0.000 0.889 1108 P CB 0.488 32.254 31.700 0.111 0.000 0.790 1109 E N -0.355 120.008 120.200 0.272 0.000 2.267 1109 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 1109 E C 1.663 178.297 176.600 0.057 0.000 0.998 1109 E CA 1.934 58.521 56.400 0.313 0.000 0.830 1109 E CB -1.269 28.861 29.700 0.716 0.000 0.751 1109 E HN 0.477 nan 8.360 nan 0.000 0.491 1110 T N -3.246 111.332 114.554 0.039 0.000 2.975 1110 T HA 0.234 4.584 4.350 -0.000 0.000 0.261 1110 T C 0.244 174.893 174.700 -0.085 0.000 0.984 1110 T CA -0.421 61.600 62.100 -0.132 0.000 0.911 1110 T CB 0.003 68.728 68.868 -0.240 0.000 1.127 1110 T HN -0.011 nan 8.240 nan 0.000 0.514 1111 K N 1.298 121.698 120.400 -0.001 0.000 3.244 1111 K HA -0.001 4.319 4.320 -0.000 0.000 0.270 1111 K C -0.269 176.319 176.600 -0.020 0.000 1.016 1111 K CA 0.299 56.585 56.287 -0.001 0.000 0.754 1111 K CB -2.047 30.439 32.500 -0.024 0.000 1.326 1111 K HN 0.800 nan 8.250 nan 0.000 0.465 1112 A N -0.634 122.186 122.820 -0.001 0.000 2.605 1112 A HA 0.603 4.923 4.320 -0.000 0.000 0.294 1112 A C -0.208 177.373 177.584 -0.004 0.000 1.062 1112 A CA -0.510 51.505 52.037 -0.038 0.000 0.682 1112 A CB 1.080 20.012 19.000 -0.113 0.000 1.278 1112 A HN 0.512 nan 8.150 nan 0.000 0.410 1113 V N 0.321 120.224 119.914 -0.017 0.000 3.051 1113 V HA 0.706 4.826 4.120 -0.000 0.000 0.306 1113 V C 0.938 176.932 176.094 -0.167 0.000 1.083 1113 V CA 0.198 62.501 62.300 0.006 0.000 1.104 1113 V CB 0.542 32.358 31.823 -0.013 0.000 1.027 1113 V HN 1.784 nan 8.190 nan 0.000 0.483 1114 G N 1.504 110.192 108.800 -0.187 0.000 2.606 1114 G HA2 0.257 4.217 3.960 -0.000 0.000 0.252 1114 G HA3 0.257 4.217 3.960 -0.000 0.000 0.252 1114 G C 0.389 175.171 174.900 -0.198 0.000 1.206 1114 G CA 0.263 45.162 45.100 -0.335 0.000 0.861 1114 G HN 1.120 nan 8.290 nan 0.000 0.561 1115 D N -0.792 119.513 120.400 -0.159 0.000 2.352 1115 D HA -0.038 4.602 4.640 -0.000 0.000 0.236 1115 D C 0.789 177.080 176.300 -0.015 0.000 1.148 1115 D CA -0.522 53.432 54.000 -0.077 0.000 0.844 1115 D CB -0.425 40.343 40.800 -0.055 0.000 0.933 1115 D HN 0.326 nan 8.370 nan 0.000 0.507 1116 N N 0.840 119.499 118.700 -0.069 0.000 2.754 1116 N HA -0.239 4.501 4.740 -0.000 0.000 0.248 1116 N C -1.117 174.623 175.510 0.383 0.000 1.093 1116 N CA 1.427 54.539 53.050 0.103 0.000 0.699 1116 N CB -0.914 37.702 38.487 0.214 0.000 1.016 1116 N HN 0.833 nan 8.380 nan 0.000 0.552 1117 E N -2.917 117.456 120.200 0.288 0.000 2.429 1117 E HA 0.550 4.900 4.350 -0.000 0.000 0.280 1117 E C -3.160 173.585 176.600 0.241 0.000 1.068 1117 E CA -1.943 54.651 56.400 0.323 0.000 0.837 1117 E CB 1.024 30.790 29.700 0.111 0.000 1.357 1117 E HN -0.109 nan 8.360 nan 0.000 0.455 1118 P HA -0.013 nan 4.420 nan 0.000 0.266 1118 P C -0.133 177.166 177.300 -0.002 0.000 1.186 1118 P CA 0.065 63.172 63.100 0.011 0.000 0.767 1118 P CB 0.342 31.887 31.700 -0.258 0.000 0.820 1119 I N 2.494 123.081 120.570 0.028 0.000 2.710 1119 I HA -0.031 4.139 4.170 -0.000 0.000 0.286 1119 I C 0.287 176.279 176.117 -0.210 0.000 1.181 1119 I CA 0.185 61.468 61.300 -0.029 0.000 1.430 1119 I CB 0.306 38.312 38.000 0.010 0.000 1.367 1119 I HN 0.277 nan 8.210 nan 0.000 0.577 1120 D N 6.612 126.866 120.400 -0.243 0.000 2.313 1120 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 1120 D C -0.628 175.288 176.300 -0.640 0.000 1.094 1120 D CA -0.054 53.678 54.000 -0.447 0.000 0.925 1120 D CB 1.834 42.424 40.800 -0.350 0.000 1.188 1120 D HN 0.167 nan 8.370 nan 0.000 0.430 1121 V N 1.540 120.945 119.914 -0.848 0.000 2.686 1121 V HA 0.326 4.446 4.120 -0.000 0.000 0.306 1121 V C -0.347 175.302 176.094 -0.742 0.000 1.065 1121 V CA -0.816 60.980 62.300 -0.839 0.000 0.894 1121 V CB 1.897 33.084 31.823 -1.060 0.000 1.004 1121 V HN 0.307 nan 8.190 nan 0.000 0.424 1122 L N 3.670 124.558 121.223 -0.558 0.000 2.318 1122 L HA 0.579 4.919 4.340 -0.000 0.000 0.277 1122 L C 0.044 176.718 176.870 -0.328 0.000 1.008 1122 L CA -0.282 54.285 54.840 -0.456 0.000 0.846 1122 L CB 1.478 43.158 42.059 -0.631 0.000 1.220 1122 L HN 0.564 nan 8.230 nan 0.000 0.423 1123 E N 4.842 124.893 120.200 -0.249 0.000 2.089 1123 E HA 0.144 4.493 4.350 -0.000 0.000 0.284 1123 E C 0.583 177.084 176.600 -0.166 0.000 1.023 1123 E CA -0.339 55.944 56.400 -0.196 0.000 0.819 1123 E CB 1.519 31.114 29.700 -0.175 0.000 1.076 1123 E HN 0.729 nan 8.360 nan 0.000 0.396 1124 I N 1.799 122.243 120.570 -0.211 0.000 3.749 1124 I HA 0.305 4.474 4.170 -0.000 0.000 0.314 1124 I C 0.789 176.752 176.117 -0.256 0.000 1.267 1124 I CA -0.461 60.659 61.300 -0.300 0.000 1.169 1124 I CB -0.060 37.598 38.000 -0.571 0.000 1.009 1124 I HN 0.253 nan 8.210 nan 0.000 0.444 1125 G N 2.068 110.794 108.800 -0.123 0.000 2.684 1125 G HA2 0.057 4.017 3.960 -0.000 0.000 0.255 1125 G HA3 0.057 4.017 3.960 -0.000 0.000 0.255 1125 G C 0.777 175.685 174.900 0.015 0.000 1.219 1125 G CA 0.249 45.345 45.100 -0.008 0.000 0.901 1125 G HN 0.653 nan 8.290 nan 0.000 0.548 1126 E N -0.955 119.289 120.200 0.072 0.000 2.051 1126 E HA -0.045 4.305 4.350 -0.000 0.000 0.189 1126 E C 0.713 177.321 176.600 0.013 0.000 0.979 1126 E CA 0.878 57.317 56.400 0.065 0.000 0.803 1126 E CB -0.445 29.313 29.700 0.096 0.000 0.761 1126 E HN 0.287 nan 8.360 nan 0.000 0.451 1127 T N 2.166 116.731 114.554 0.019 0.000 2.902 1127 T HA 0.187 4.537 4.350 -0.000 0.000 0.301 1127 T C 0.325 175.013 174.700 -0.021 0.000 1.012 1127 T CA -0.131 61.981 62.100 0.020 0.000 1.151 1127 T CB 0.506 69.397 68.868 0.038 0.000 0.946 1127 T HN 0.096 nan 8.240 nan 0.000 0.542 1128 I N 2.859 123.422 120.570 -0.011 0.000 2.496 1128 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 1128 I C 0.983 177.110 176.117 0.017 0.000 1.080 1128 I CA -0.376 60.896 61.300 -0.047 0.000 1.404 1128 I CB 0.566 38.564 38.000 -0.004 0.000 1.403 1128 I HN 0.692 nan 8.210 nan 0.000 0.539 1129 A N 6.583 129.391 122.820 -0.019 0.000 2.249 1129 A HA 0.626 4.946 4.320 -0.000 0.000 0.281 1129 A C -0.821 176.817 177.584 0.090 0.000 1.127 1129 A CA -0.153 51.889 52.037 0.010 0.000 0.833 1129 A CB 0.471 19.403 19.000 -0.114 0.000 1.140 1129 A HN 0.678 nan 8.150 nan 0.000 0.502 1130 Y N -2.596 117.691 120.300 -0.022 0.000 2.536 1130 Y HA 0.654 5.203 4.550 -0.000 0.000 0.347 1130 Y C 0.006 175.900 175.900 -0.010 0.000 1.000 1130 Y CA -1.078 57.020 58.100 -0.004 0.000 1.051 1130 Y CB 0.250 38.720 38.460 0.016 0.000 1.259 1130 Y HN 0.448 nan 8.280 nan 0.000 0.468 1131 T N 2.714 117.329 114.554 0.103 0.000 2.867 1131 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 1131 T C 1.129 175.829 174.700 -0.001 0.000 0.989 1131 T CA 1.524 63.636 62.100 0.021 0.000 1.159 1131 T CB -0.026 68.912 68.868 0.115 0.000 0.928 1131 T HN 1.506 nan 8.240 nan 0.000 0.538 1132 G N 2.726 111.451 108.800 -0.125 0.000 2.194 1132 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.236 1132 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.236 1132 G C 0.117 174.892 174.900 -0.208 0.000 0.987 1132 G CA 0.130 45.162 45.100 -0.114 0.000 0.635 1132 G HN 0.838 nan 8.290 nan 0.000 0.520 1133 Q N 0.635 120.136 119.800 -0.498 0.000 2.332 1133 Q HA 0.477 4.816 4.340 -0.000 0.000 0.263 1133 Q C -0.359 175.430 176.000 -0.352 0.000 0.979 1133 Q CA -0.156 55.239 55.803 -0.680 0.000 0.885 1133 Q CB 0.968 28.867 28.738 -1.399 0.000 1.218 1133 Q HN 0.254 nan 8.270 nan 0.000 0.405 1134 V N 5.838 125.625 119.914 -0.212 0.000 2.328 1134 V HA 0.294 4.414 4.120 -0.000 0.000 0.278 1134 V C -0.517 175.538 176.094 -0.064 0.000 1.021 1134 V CA -0.449 61.751 62.300 -0.168 0.000 0.838 1134 V CB 0.975 32.647 31.823 -0.251 0.000 0.999 1134 V HN 0.778 nan 8.190 nan 0.000 0.447 1135 K N 3.585 123.944 120.400 -0.068 0.000 2.318 1135 K HA 0.824 5.143 4.320 -0.000 0.000 0.249 1135 K C -1.064 175.549 176.600 0.020 0.000 0.942 1135 K CA -1.117 55.159 56.287 -0.018 0.000 0.808 1135 K CB 1.972 34.444 32.500 -0.047 0.000 1.189 1135 K HN 0.275 nan 8.250 nan 0.000 0.428 1136 Q N 1.232 121.054 119.800 0.038 0.000 2.279 1136 Q HA 0.382 4.721 4.340 -0.000 0.000 0.256 1136 Q C -0.434 175.602 176.000 0.060 0.000 0.937 1136 Q CA -0.648 55.186 55.803 0.050 0.000 0.933 1136 Q CB 1.688 30.448 28.738 0.037 0.000 1.189 1136 Q HN 0.582 nan 8.270 nan 0.000 0.417 1137 V N -1.298 118.680 119.914 0.107 0.000 3.130 1137 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 1137 V C -1.053 175.147 176.094 0.177 0.000 1.158 1137 V CA -1.176 61.197 62.300 0.121 0.000 1.029 1137 V CB 2.398 34.297 31.823 0.127 0.000 1.057 1137 V HN 0.629 nan 8.190 nan 0.000 0.436 1138 K N 2.022 122.506 120.400 0.140 0.000 2.164 1138 K HA 0.809 5.129 4.320 -0.000 0.000 0.258 1138 K C -0.273 176.434 176.600 0.177 0.000 0.951 1138 K CA -0.297 56.087 56.287 0.161 0.000 0.844 1138 K CB 2.160 34.714 32.500 0.090 0.000 1.099 1138 K HN 1.102 nan 8.250 nan 0.000 0.435 1139 A N 3.242 126.204 122.820 0.237 0.000 2.366 1139 A HA 0.312 4.632 4.320 -0.000 0.000 0.272 1139 A C 0.643 178.280 177.584 0.088 0.000 1.135 1139 A CA -0.432 51.690 52.037 0.143 0.000 0.804 1139 A CB 0.049 19.135 19.000 0.144 0.000 1.064 1139 A HN 0.831 nan 8.150 nan 0.000 0.499 1140 L N 2.071 123.316 121.223 0.038 0.000 2.547 1140 L HA 0.428 4.768 4.340 -0.000 0.000 0.218 1140 L C 1.216 178.100 176.870 0.023 0.000 1.048 1140 L CA 0.707 55.568 54.840 0.034 0.000 0.859 1140 L CB 0.156 42.226 42.059 0.019 0.000 1.128 1140 L HN 0.840 nan 8.230 nan 0.000 0.483 1141 G N -0.447 108.353 108.800 0.000 0.000 2.489 1141 G HA2 0.537 4.496 3.960 -0.000 0.000 0.305 1141 G HA3 0.537 4.496 3.960 -0.000 0.000 0.305 1141 G C -2.150 172.746 174.900 -0.007 0.000 1.311 1141 G CA -0.309 44.791 45.100 -0.000 0.000 0.813 1141 G HN -0.128 nan 8.290 nan 0.000 0.480 1142 I N -0.668 119.914 120.570 0.020 0.000 2.841 1142 I HA 0.662 4.831 4.170 -0.000 0.000 0.298 1142 I C -1.264 174.957 176.117 0.172 0.000 1.304 1142 I CA -1.141 60.213 61.300 0.090 0.000 1.019 1142 I CB 2.178 40.250 38.000 0.120 0.000 1.282 1142 I HN 0.554 nan 8.210 nan 0.000 0.432 1143 M N 5.888 125.639 119.600 0.253 0.000 2.393 1143 M HA 0.534 5.013 4.480 -0.000 0.000 0.316 1143 M C -0.437 176.096 176.300 0.388 0.000 1.087 1143 M CA -0.707 54.767 55.300 0.290 0.000 0.937 1143 M CB 2.105 34.818 32.600 0.189 0.000 1.668 1143 M HN 0.627 nan 8.290 nan 0.000 0.438 1144 A N 3.751 126.742 122.820 0.286 0.000 2.923 1144 A HA 0.478 4.798 4.320 -0.000 0.000 0.306 1144 A C -0.725 176.716 177.584 -0.238 0.000 1.542 1144 A CA -0.445 51.378 52.037 -0.357 0.000 1.225 1144 A CB -0.452 18.239 19.000 -0.514 0.000 1.147 1144 A HN 0.749 nan 8.150 nan 0.000 0.542 1145 L N 2.477 123.470 121.223 -0.383 0.000 2.326 1145 L HA 0.534 4.874 4.340 -0.000 0.000 0.278 1145 L C -0.584 175.927 176.870 -0.598 0.000 1.092 1145 L CA -0.053 54.292 54.840 -0.826 0.000 0.810 1145 L CB 0.877 42.427 42.059 -0.850 0.000 1.153 1145 L HN 0.510 nan 8.230 nan 0.000 0.439 1146 L N 5.103 125.996 121.223 -0.550 0.000 2.283 1146 L HA 0.348 4.688 4.340 -0.000 0.000 0.281 1146 L C -0.687 176.011 176.870 -0.286 0.000 1.033 1146 L CA -0.337 54.284 54.840 -0.364 0.000 0.848 1146 L CB 0.869 42.753 42.059 -0.291 0.000 1.226 1146 L HN 0.614 nan 8.230 nan 0.000 0.429 1147 D N 4.745 125.012 120.400 -0.221 0.000 2.347 1147 D HA 0.100 4.740 4.640 -0.000 0.000 0.235 1147 D C 0.234 176.472 176.300 -0.104 0.000 1.149 1147 D CA 0.006 53.934 54.000 -0.120 0.000 0.850 1147 D CB 0.573 41.347 40.800 -0.043 0.000 1.061 1147 D HN 0.502 nan 8.370 nan 0.000 0.487 1148 E N 2.400 122.540 120.200 -0.099 0.000 2.360 1148 E HA -0.247 4.103 4.350 -0.000 0.000 0.238 1148 E C 0.789 177.335 176.600 -0.090 0.000 1.186 1148 E CA 0.505 56.852 56.400 -0.089 0.000 0.719 1148 E CB -1.563 28.092 29.700 -0.075 0.000 1.236 1148 E HN 0.897 nan 8.360 nan 0.000 0.386 1149 G N 0.054 108.789 108.800 -0.109 0.000 2.143 1149 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 1149 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 1149 G C -0.071 174.754 174.900 -0.124 0.000 0.991 1149 G CA 0.801 45.835 45.100 -0.110 0.000 0.689 1149 G HN 0.409 nan 8.290 nan 0.000 0.522 1150 E N -0.061 120.050 120.200 -0.147 0.000 2.256 1150 E HA 0.478 4.828 4.350 -0.000 0.000 0.267 1150 E C -0.232 176.221 176.600 -0.245 0.000 0.892 1150 E CA -0.708 55.591 56.400 -0.169 0.000 0.775 1150 E CB 1.239 30.862 29.700 -0.129 0.000 1.207 1150 E HN 0.073 nan 8.360 nan 0.000 0.420 1151 T N 1.932 116.298 114.554 -0.314 0.000 2.793 1151 T HA 0.022 4.372 4.350 -0.000 0.000 0.289 1151 T C -0.337 174.145 174.700 -0.364 0.000 0.956 1151 T CA 0.601 62.434 62.100 -0.445 0.000 1.177 1151 T CB -0.107 68.374 68.868 -0.646 0.000 0.897 1151 T HN 0.343 nan 8.240 nan 0.000 0.533 1152 D N 3.132 123.296 120.400 -0.394 0.000 2.849 1152 D HA 0.212 4.852 4.640 -0.000 0.000 0.314 1152 D C -0.600 175.574 176.300 -0.210 0.000 1.210 1152 D CA -0.660 53.197 54.000 -0.238 0.000 0.756 1152 D CB 0.087 40.767 40.800 -0.200 0.000 1.222 1152 D HN 0.486 nan 8.370 nan 0.000 0.521 1153 W N 1.965 123.192 121.300 -0.122 0.000 2.364 1153 W HA 0.117 4.777 4.660 -0.000 0.000 0.343 1153 W C 0.864 177.279 176.519 -0.174 0.000 1.237 1153 W CA 0.036 57.329 57.345 -0.087 0.000 1.319 1153 W CB 0.627 30.071 29.460 -0.026 0.000 1.179 1153 W HN -0.116 nan 8.180 nan 0.000 0.578 1154 K N 2.726 123.182 120.400 0.093 0.000 2.535 1154 K HA 0.365 4.684 4.320 -0.000 0.000 0.253 1154 K C -1.103 175.429 176.600 -0.114 0.000 0.953 1154 K CA -0.929 55.272 56.287 -0.145 0.000 0.863 1154 K CB 1.296 33.614 32.500 -0.305 0.000 1.111 1154 K HN 0.182 nan 8.250 nan 0.000 0.431 1155 V N 4.321 124.098 119.914 -0.229 0.000 2.530 1155 V HA 0.235 4.355 4.120 -0.000 0.000 0.282 1155 V C 0.560 176.494 176.094 -0.267 0.000 1.048 1155 V CA -0.667 61.497 62.300 -0.227 0.000 0.997 1155 V CB 0.815 32.443 31.823 -0.325 0.000 0.987 1155 V HN 0.483 nan 8.190 nan 0.000 0.477 1156 I N 4.736 125.201 120.570 -0.175 0.000 2.312 1156 I HA 0.637 4.806 4.170 -0.000 0.000 0.291 1156 I C 0.457 176.488 176.117 -0.143 0.000 1.031 1156 I CA 0.173 61.367 61.300 -0.176 0.000 1.293 1156 I CB 0.563 38.493 38.000 -0.117 0.000 1.403 1156 I HN 0.741 nan 8.210 nan 0.000 0.484 1157 A N 6.919 129.636 122.820 -0.172 0.000 2.485 1157 A HA 0.914 5.234 4.320 -0.000 0.000 0.292 1157 A C -1.215 176.306 177.584 -0.105 0.000 1.147 1157 A CA -0.568 51.410 52.037 -0.099 0.000 0.750 1157 A CB 2.296 21.251 19.000 -0.075 0.000 1.331 1157 A HN 0.562 nan 8.150 nan 0.000 0.419 1158 I N 0.211 120.756 120.570 -0.042 0.000 2.619 1158 I HA 0.344 4.513 4.170 -0.000 0.000 0.292 1158 I C -0.901 175.216 176.117 -0.001 0.000 1.100 1158 I CA -0.294 60.983 61.300 -0.039 0.000 1.043 1158 I CB 1.902 39.894 38.000 -0.013 0.000 1.239 1158 I HN 0.691 nan 8.210 nan 0.000 0.420 1159 D N 6.647 127.041 120.400 -0.010 0.000 2.493 1159 D HA 0.022 4.662 4.640 -0.000 0.000 0.240 1159 D C 1.554 177.866 176.300 0.020 0.000 1.142 1159 D CA 0.289 54.293 54.000 0.006 0.000 0.872 1159 D CB 0.861 41.661 40.800 -0.001 0.000 1.173 1159 D HN 0.601 nan 8.370 nan 0.000 0.467 1160 I N 1.220 121.806 120.570 0.026 0.000 2.700 1160 I HA -0.188 3.982 4.170 -0.000 0.000 0.261 1160 I C 0.895 177.023 176.117 0.018 0.000 1.219 1160 I CA 0.956 62.270 61.300 0.023 0.000 1.463 1160 I CB -0.336 37.677 38.000 0.021 0.000 1.092 1160 I HN 0.188 nan 8.210 nan 0.000 0.452 1161 N N 0.877 119.589 118.700 0.021 0.000 2.398 1161 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 1161 N C 0.304 175.827 175.510 0.022 0.000 1.122 1161 N CA -0.134 52.929 53.050 0.021 0.000 0.866 1161 N CB 0.105 38.608 38.487 0.027 0.000 0.970 1161 N HN 0.432 nan 8.380 nan 0.000 0.462 1162 D N 0.899 121.313 120.400 0.023 0.000 2.345 1162 D HA 0.037 4.676 4.640 -0.000 0.000 0.247 1162 D C -1.609 174.702 176.300 0.018 0.000 1.108 1162 D CA -1.897 52.122 54.000 0.030 0.000 0.894 1162 D CB 1.541 42.371 40.800 0.049 0.000 1.203 1162 D HN -0.029 nan 8.370 nan 0.000 0.430 1163 P HA -0.098 nan 4.420 nan 0.000 0.217 1163 P C 1.244 178.521 177.300 -0.038 0.000 1.148 1163 P CA 0.927 64.022 63.100 -0.008 0.000 0.828 1163 P CB 0.220 31.918 31.700 -0.004 0.000 0.783 1164 L N -2.063 119.138 121.223 -0.037 0.000 2.591 1164 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 1164 L C 2.181 179.007 176.870 -0.075 0.000 1.133 1164 L CA 0.077 54.852 54.840 -0.109 0.000 0.880 1164 L CB -0.614 41.370 42.059 -0.126 0.000 1.033 1164 L HN -0.067 nan 8.230 nan 0.000 0.450 1165 A N 1.381 124.190 122.820 -0.018 0.000 1.892 1165 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 1165 A C -0.159 177.412 177.584 -0.022 0.000 1.188 1165 A CA 1.741 53.777 52.037 -0.003 0.000 0.631 1165 A CB -1.683 17.322 19.000 0.008 0.000 0.822 1165 A HN 0.276 nan 8.150 nan 0.000 0.447 1166 P HA -0.142 nan 4.420 nan 0.000 0.216 1166 P C 1.065 178.338 177.300 -0.045 0.000 1.150 1166 P CA 1.597 64.677 63.100 -0.033 0.000 0.837 1166 P CB -0.063 31.617 31.700 -0.033 0.000 0.786 1167 K N -1.347 118.983 120.400 -0.116 0.000 2.432 1167 K HA 0.072 4.392 4.320 -0.000 0.000 0.196 1167 K C 0.331 176.885 176.600 -0.077 0.000 1.038 1167 K CA 0.280 56.471 56.287 -0.159 0.000 0.986 1167 K CB -0.209 32.007 32.500 -0.473 0.000 0.782 1167 K HN 0.155 nan 8.250 nan 0.000 0.485 1168 L N 1.459 122.660 121.223 -0.037 0.000 2.280 1168 L HA 0.234 4.574 4.340 -0.000 0.000 0.287 1168 L C 0.476 177.386 176.870 0.066 0.000 1.023 1168 L CA -0.360 54.522 54.840 0.069 0.000 0.819 1168 L CB 1.160 43.280 42.059 0.101 0.000 1.212 1168 L HN 0.075 nan 8.230 nan 0.000 0.420 1169 N N 0.381 119.130 118.700 0.083 0.000 2.218 1169 N HA 0.125 4.865 4.740 -0.000 0.000 0.224 1169 N C -0.532 175.018 175.510 0.068 0.000 1.248 1169 N CA 0.039 53.128 53.050 0.066 0.000 0.875 1169 N CB 1.407 39.928 38.487 0.056 0.000 1.165 1169 N HN 0.508 nan 8.380 nan 0.000 0.485 1170 D N -0.337 120.110 120.400 0.078 0.000 2.579 1170 D HA 0.241 4.880 4.640 -0.000 0.000 0.257 1170 D C 0.883 177.225 176.300 0.069 0.000 1.176 1170 D CA -0.681 53.358 54.000 0.065 0.000 0.914 1170 D CB 2.088 42.921 40.800 0.055 0.000 1.431 1170 D HN -0.255 nan 8.370 nan 0.000 0.454 1171 I N 1.722 122.321 120.570 0.048 0.000 2.145 1171 I HA -0.281 3.889 4.170 -0.000 0.000 0.244 1171 I C 1.599 177.750 176.117 0.056 0.000 1.075 1171 I CA 1.974 63.297 61.300 0.039 0.000 1.332 1171 I CB -0.146 37.859 38.000 0.009 0.000 1.033 1171 I HN 0.440 nan 8.210 nan 0.000 0.410 1172 E N 0.409 120.640 120.200 0.052 0.000 2.209 1172 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 1172 E C 1.755 178.405 176.600 0.084 0.000 0.993 1172 E CA 1.399 57.830 56.400 0.051 0.000 0.819 1172 E CB -0.409 29.312 29.700 0.035 0.000 0.745 1172 E HN 0.565 nan 8.360 nan 0.000 0.477 1173 D N -0.366 120.118 120.400 0.139 0.000 2.312 1173 D HA -0.065 4.575 4.640 -0.000 0.000 0.211 1173 D C 1.732 178.245 176.300 0.356 0.000 0.964 1173 D CA 0.439 54.593 54.000 0.257 0.000 0.877 1173 D CB 0.110 41.097 40.800 0.313 0.000 0.924 1173 D HN 0.090 nan 8.370 nan 0.000 0.515 1174 V N 0.920 120.992 119.914 0.264 0.000 2.358 1174 V HA -0.195 3.924 4.120 -0.000 0.000 0.246 1174 V C 2.423 178.705 176.094 0.314 0.000 1.047 1174 V CA 1.467 63.963 62.300 0.327 0.000 1.035 1174 V CB -0.267 31.634 31.823 0.129 0.000 0.658 1174 V HN 0.057 nan 8.190 nan 0.000 0.452 1175 E N 0.572 120.869 120.200 0.162 0.000 2.208 1175 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 1175 E C 2.169 178.792 176.600 0.038 0.000 0.988 1175 E CA 1.218 57.678 56.400 0.101 0.000 0.828 1175 E CB -0.238 29.491 29.700 0.049 0.000 0.763 1175 E HN 0.527 nan 8.360 nan 0.000 0.478 1176 K N -1.235 119.153 120.400 -0.019 0.000 2.097 1176 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 1176 K C 1.005 177.341 176.600 -0.441 0.000 1.050 1176 K CA 1.284 57.414 56.287 -0.261 0.000 0.938 1176 K CB -0.027 32.241 32.500 -0.386 0.000 0.718 1176 K HN 0.219 nan 8.250 nan 0.000 0.442 1177 Y N -1.847 118.447 120.300 -0.011 0.000 2.483 1177 Y HA 0.193 4.743 4.550 -0.000 0.000 0.258 1177 Y C 0.064 175.698 175.900 -0.443 0.000 1.083 1177 Y CA -0.254 57.701 58.100 -0.242 0.000 1.283 1177 Y CB 0.774 39.022 38.460 -0.353 0.000 1.178 1177 Y HN -0.117 nan 8.280 nan 0.000 0.515 1178 F N 1.962 122.000 119.950 0.147 0.000 2.597 1178 F HA 0.389 4.916 4.527 -0.000 0.000 0.336 1178 F C -2.546 173.293 175.800 0.066 0.000 1.432 1178 F CA -2.973 55.088 58.000 0.102 0.000 1.120 1178 F CB 0.279 39.337 39.000 0.097 0.000 1.253 1178 F HN -0.212 nan 8.300 nan 0.000 0.546 1179 P HA 0.126 nan 4.420 nan 0.000 0.263 1179 P C 0.992 178.358 177.300 0.110 0.000 1.195 1179 P CA 1.304 64.462 63.100 0.098 0.000 0.762 1179 P CB 1.223 32.947 31.700 0.041 0.000 0.799 1180 G N 2.516 111.375 108.800 0.098 0.000 2.284 1180 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.230 1180 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.230 1180 G C 0.704 175.669 174.900 0.109 0.000 1.021 1180 G CA 0.246 45.403 45.100 0.094 0.000 0.619 1180 G HN 0.537 nan 8.290 nan 0.000 0.510 1181 L N 1.240 122.544 121.223 0.134 0.000 2.013 1181 L HA 0.137 4.477 4.340 -0.000 0.000 0.212 1181 L C 2.749 179.679 176.870 0.099 0.000 1.073 1181 L CA 2.767 57.678 54.840 0.119 0.000 0.753 1181 L CB -0.644 41.495 42.059 0.134 0.000 0.890 1181 L HN 0.474 nan 8.230 nan 0.000 0.432 1182 L N -0.906 120.365 121.223 0.081 0.000 2.083 1182 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 1182 L C 2.814 179.705 176.870 0.035 0.000 1.083 1182 L CA 1.369 56.238 54.840 0.048 0.000 0.752 1182 L CB -0.607 41.465 42.059 0.021 0.000 0.899 1182 L HN 0.329 nan 8.230 nan 0.000 0.433 1183 R N 0.472 121.000 120.500 0.046 0.000 2.092 1183 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 1183 R C 2.231 178.583 176.300 0.087 0.000 1.119 1183 R CA 1.389 57.516 56.100 0.044 0.000 0.970 1183 R CB -0.157 30.173 30.300 0.050 0.000 0.864 1183 R HN 0.327 nan 8.270 nan 0.000 0.440 1184 A N 0.076 122.965 122.820 0.116 0.000 1.930 1184 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 1184 A C 2.139 179.792 177.584 0.114 0.000 1.175 1184 A CA 1.864 53.995 52.037 0.158 0.000 0.627 1184 A CB -0.682 18.424 19.000 0.177 0.000 0.815 1184 A HN 0.412 nan 8.150 nan 0.000 0.443 1185 T N 0.435 115.074 114.554 0.142 0.000 2.777 1185 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 1185 T C 2.021 176.930 174.700 0.348 0.000 1.040 1185 T CA 1.265 63.531 62.100 0.275 0.000 1.141 1185 T CB -0.437 68.616 68.868 0.308 0.000 0.868 1185 T HN 0.674 nan 8.240 nan 0.000 0.444 1186 N N 1.336 120.120 118.700 0.140 0.000 2.043 1186 N HA -0.201 4.539 4.740 -0.000 0.000 0.193 1186 N C 1.999 177.688 175.510 0.298 0.000 1.037 1186 N CA 1.887 54.943 53.050 0.009 0.000 0.851 1186 N CB -0.176 38.178 38.487 -0.221 0.000 1.027 1186 N HN 0.626 nan 8.380 nan 0.000 0.422 1187 E N -0.641 119.688 120.200 0.216 0.000 2.077 1187 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 1187 E C 2.040 178.767 176.600 0.212 0.000 0.989 1187 E CA 0.992 57.522 56.400 0.217 0.000 0.800 1187 E CB -0.546 29.273 29.700 0.200 0.000 0.746 1187 E HN 0.512 nan 8.360 nan 0.000 0.452 1188 W N 0.264 121.534 121.300 -0.049 0.000 2.333 1188 W HA -0.217 4.443 4.660 -0.000 0.000 0.316 1188 W C 1.774 178.165 176.519 -0.214 0.000 1.215 1188 W CA 1.902 59.076 57.345 -0.285 0.000 1.278 1188 W CB -0.426 28.659 29.460 -0.625 0.000 1.154 1188 W HN 0.100 nan 8.180 nan 0.000 0.486 1189 F N -0.059 120.194 119.950 0.505 0.000 2.604 1189 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 1189 F C 2.395 178.391 175.800 0.326 0.000 1.131 1189 F CA 1.402 59.644 58.000 0.404 0.000 1.457 1189 F CB -0.722 38.499 39.000 0.369 0.000 1.095 1189 F HN -0.164 nan 8.300 nan 0.000 0.574 1190 R N 0.653 121.394 120.500 0.403 0.000 2.127 1190 R HA 0.047 4.386 4.340 -0.000 0.000 0.217 1190 R C 1.770 178.123 176.300 0.088 0.000 1.074 1190 R CA 1.347 57.591 56.100 0.240 0.000 0.991 1190 R CB -0.044 30.419 30.300 0.272 0.000 0.895 1190 R HN 0.458 nan 8.270 nan 0.000 0.450 1191 I N -2.650 117.934 120.570 0.024 0.000 4.327 1191 I HA 0.161 4.331 4.170 -0.000 0.000 0.331 1191 I C 1.229 177.201 176.117 -0.242 0.000 1.348 1191 I CA -0.486 60.757 61.300 -0.095 0.000 1.152 1191 I CB -0.034 37.930 38.000 -0.059 0.000 1.151 1191 I HN -0.019 nan 8.210 nan 0.000 0.410 1192 Y N 2.366 122.316 120.300 -0.582 0.000 2.315 1192 Y HA 0.010 4.560 4.550 -0.000 0.000 0.288 1192 Y C 1.681 177.280 175.900 -0.501 0.000 1.154 1192 Y CA 1.141 58.742 58.100 -0.831 0.000 1.229 1192 Y CB -0.732 36.724 38.460 -1.674 0.000 0.980 1192 Y HN 0.072 nan 8.280 nan 0.000 0.540 1193 K N 0.281 120.154 120.400 -0.879 0.000 2.358 1193 K HA 0.243 4.563 4.320 -0.000 0.000 0.197 1193 K C 1.655 178.015 176.600 -0.400 0.000 1.025 1193 K CA 0.196 56.065 56.287 -0.698 0.000 1.104 1193 K CB 0.145 32.172 32.500 -0.789 0.000 0.855 1193 K HN 0.385 nan 8.250 nan 0.000 0.531 1194 I N 2.019 122.395 120.570 -0.324 0.000 2.208 1194 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 1194 I C -0.944 175.044 176.117 -0.216 0.000 1.097 1194 I CA 1.324 62.497 61.300 -0.212 0.000 1.363 1194 I CB -0.955 36.958 38.000 -0.144 0.000 1.051 1194 I HN 0.025 nan 8.210 nan 0.000 0.413 1195 P HA -0.114 nan 4.420 nan 0.000 0.228 1195 P C 0.529 177.643 177.300 -0.310 0.000 1.151 1195 P CA 1.227 64.071 63.100 -0.427 0.000 0.770 1195 P CB -0.079 31.056 31.700 -0.941 0.000 0.786 1196 D N -1.654 118.592 120.400 -0.257 0.000 2.349 1196 D HA 0.155 4.795 4.640 -0.000 0.000 0.214 1196 D C 1.509 177.732 176.300 -0.129 0.000 1.063 1196 D CA 0.584 54.477 54.000 -0.179 0.000 0.847 1196 D CB -0.067 40.620 40.800 -0.189 0.000 0.933 1196 D HN 0.120 nan 8.370 nan 0.000 0.513 1197 G N 1.241 109.968 108.800 -0.123 0.000 2.141 1197 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.242 1197 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.242 1197 G C 0.367 175.210 174.900 -0.094 0.000 0.982 1197 G CA -0.033 45.016 45.100 -0.085 0.000 0.662 1197 G HN 0.254 nan 8.290 nan 0.000 0.527 1198 K N 1.229 121.550 120.400 -0.131 0.000 2.098 1198 K HA 0.578 4.898 4.320 -0.000 0.000 0.261 1198 K C -1.829 174.699 176.600 -0.119 0.000 0.987 1198 K CA -1.745 54.462 56.287 -0.132 0.000 0.916 1198 K CB 1.211 33.601 32.500 -0.183 0.000 1.039 1198 K HN 0.085 nan 8.250 nan 0.000 0.455 1199 P HA -0.015 nan 4.420 nan 0.000 0.272 1199 P C -0.787 176.461 177.300 -0.087 0.000 1.223 1199 P CA -0.222 62.831 63.100 -0.078 0.000 0.784 1199 P CB 0.626 32.287 31.700 -0.064 0.000 0.923 1200 E N 2.046 122.209 120.200 -0.063 0.000 2.413 1200 E HA -0.016 4.334 4.350 -0.000 0.000 0.263 1200 E C -0.048 176.525 176.600 -0.045 0.000 1.015 1200 E CA -0.157 56.214 56.400 -0.049 0.000 0.916 1200 E CB 0.327 30.017 29.700 -0.016 0.000 0.947 1200 E HN 0.318 nan 8.360 nan 0.000 0.440 1201 N N 1.263 119.942 118.700 -0.034 0.000 2.413 1201 N HA 0.250 4.990 4.740 -0.000 0.000 0.266 1201 N C -0.359 175.123 175.510 -0.047 0.000 1.238 1201 N CA 0.043 53.057 53.050 -0.060 0.000 0.972 1201 N CB 1.289 39.739 38.487 -0.062 0.000 1.210 1201 N HN 0.665 nan 8.380 nan 0.000 0.547 1202 Q N -0.019 119.703 119.800 -0.129 0.000 2.456 1202 Q HA 0.687 5.026 4.340 -0.000 0.000 0.283 1202 Q C -1.636 174.231 176.000 -0.221 0.000 1.084 1202 Q CA -0.712 55.046 55.803 -0.074 0.000 0.801 1202 Q CB 1.350 30.055 28.738 -0.055 0.000 1.434 1202 Q HN 0.521 nan 8.270 nan 0.000 0.419 1203 F N 0.446 120.364 119.950 -0.053 0.000 2.522 1203 F HA 0.802 5.328 4.527 -0.000 0.000 0.324 1203 F C 0.781 176.500 175.800 -0.135 0.000 1.077 1203 F CA -0.574 57.377 58.000 -0.082 0.000 0.944 1203 F CB 2.470 41.462 39.000 -0.014 0.000 1.175 1203 F HN 0.846 nan 8.300 nan 0.000 0.468 1204 A N 1.448 124.252 122.820 -0.027 0.000 2.287 1204 A HA 0.606 4.926 4.320 -0.000 0.000 0.273 1204 A C -0.458 177.042 177.584 -0.140 0.000 1.091 1204 A CA -0.424 51.416 52.037 -0.328 0.000 0.817 1204 A CB -0.253 18.297 19.000 -0.750 0.000 1.069 1204 A HN 0.870 nan 8.150 nan 0.000 0.492 1205 F N -0.497 119.470 119.950 0.028 0.000 3.084 1205 F HA -0.254 4.273 4.527 -0.000 0.000 0.286 1205 F C 1.106 176.912 175.800 0.010 0.000 0.855 1205 F CA 0.960 58.969 58.000 0.016 0.000 1.091 1205 F CB -2.622 36.376 39.000 -0.004 0.000 1.177 1205 F HN 0.769 nan 8.300 nan 0.000 0.542 1206 S N -2.080 113.693 115.700 0.122 0.000 3.521 1206 S HA -0.001 4.469 4.470 -0.000 0.000 0.328 1206 S C 1.598 176.234 174.600 0.060 0.000 1.165 1206 S CA 1.089 59.340 58.200 0.086 0.000 0.941 1206 S CB -1.589 61.653 63.200 0.069 0.000 0.951 1206 S HN 2.361 nan 8.310 nan 0.000 0.539 1207 G N 0.443 109.292 108.800 0.081 0.000 2.162 1207 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 1207 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 1207 G C -0.221 174.595 174.900 -0.140 0.000 0.976 1207 G CA 0.585 45.593 45.100 -0.155 0.000 0.655 1207 G HN 0.931 nan 8.290 nan 0.000 0.533 1208 E N 0.728 120.935 120.200 0.013 0.000 2.452 1208 E HA 0.435 4.785 4.350 -0.000 0.000 0.261 1208 E C 0.638 177.205 176.600 -0.056 0.000 0.987 1208 E CA 0.195 56.581 56.400 -0.022 0.000 0.926 1208 E CB 0.428 30.127 29.700 -0.001 0.000 0.934 1208 E HN 0.811 nan 8.360 nan 0.000 0.452 1209 A N 6.018 128.789 122.820 -0.082 0.000 2.279 1209 A HA 0.215 4.535 4.320 -0.000 0.000 0.306 1209 A C -0.243 177.269 177.584 -0.120 0.000 1.300 1209 A CA -0.719 51.273 52.037 -0.075 0.000 0.925 1209 A CB 0.412 19.377 19.000 -0.057 0.000 1.152 1209 A HN 0.475 nan 8.150 nan 0.000 0.544 1210 K N 2.054 122.335 120.400 -0.197 0.000 2.276 1210 K HA 0.073 4.393 4.320 -0.000 0.000 0.259 1210 K C 0.589 177.115 176.600 -0.122 0.000 1.001 1210 K CA -0.260 55.836 56.287 -0.317 0.000 0.927 1210 K CB 0.552 32.593 32.500 -0.766 0.000 0.969 1210 K HN 0.926 nan 8.250 nan 0.000 0.490 1211 N N 0.561 119.219 118.700 -0.070 0.000 2.327 1211 N HA -0.026 4.714 4.740 -0.000 0.000 0.257 1211 N C 0.803 176.345 175.510 0.053 0.000 1.281 1211 N CA -0.043 53.010 53.050 0.005 0.000 0.942 1211 N CB 0.432 38.928 38.487 0.014 0.000 1.199 1211 N HN 0.501 nan 8.380 nan 0.000 0.532 1212 K N 0.064 120.495 120.400 0.052 0.000 2.020 1212 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 1212 K C 1.794 178.437 176.600 0.072 0.000 1.050 1212 K CA 1.817 58.142 56.287 0.064 0.000 0.929 1212 K CB -0.231 32.308 32.500 0.065 0.000 0.714 1212 K HN 0.643 nan 8.250 nan 0.000 0.443 1213 K N -0.352 120.088 120.400 0.068 0.000 2.020 1213 K HA -0.272 4.048 4.320 -0.000 0.000 0.212 1213 K C 2.209 178.837 176.600 0.046 0.000 1.050 1213 K CA 1.987 58.306 56.287 0.053 0.000 0.929 1213 K CB -0.488 32.040 32.500 0.046 0.000 0.714 1213 K HN 0.250 nan 8.250 nan 0.000 0.443 1214 Y N 0.860 121.128 120.300 -0.054 0.000 2.128 1214 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 1214 Y C 2.188 178.005 175.900 -0.138 0.000 1.154 1214 Y CA 1.971 60.014 58.100 -0.095 0.000 1.149 1214 Y CB -0.598 37.795 38.460 -0.111 0.000 0.976 1214 Y HN 0.265 nan 8.280 nan 0.000 0.505 1215 A N 0.049 122.946 122.820 0.128 0.000 1.908 1215 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 1215 A C 2.305 179.843 177.584 -0.076 0.000 1.181 1215 A CA 1.865 53.903 52.037 0.002 0.000 0.627 1215 A CB -1.156 17.852 19.000 0.012 0.000 0.818 1215 A HN 0.560 nan 8.150 nan 0.000 0.445 1216 L N -0.600 120.616 121.223 -0.012 0.000 2.083 1216 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 1216 L C 2.105 178.956 176.870 -0.032 0.000 1.083 1216 L CA 1.418 56.279 54.840 0.034 0.000 0.752 1216 L CB -0.690 41.425 42.059 0.093 0.000 0.899 1216 L HN 0.325 nan 8.230 nan 0.000 0.433 1217 D N 0.179 120.508 120.400 -0.119 0.000 2.097 1217 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 1217 D C 2.277 178.448 176.300 -0.215 0.000 0.989 1217 D CA 1.112 55.009 54.000 -0.171 0.000 0.827 1217 D CB 0.003 40.636 40.800 -0.278 0.000 0.966 1217 D HN 0.137 nan 8.370 nan 0.000 0.456 1218 I N 1.174 121.535 120.570 -0.349 0.000 2.163 1218 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 1218 I C 2.604 178.576 176.117 -0.241 0.000 1.085 1218 I CA 0.808 61.850 61.300 -0.429 0.000 1.347 1218 I CB -1.045 36.463 38.000 -0.820 0.000 1.044 1218 I HN 0.037 nan 8.210 nan 0.000 0.408 1219 I N 0.864 121.322 120.570 -0.187 0.000 2.194 1219 I HA -0.356 3.814 4.170 -0.000 0.000 0.246 1219 I C 2.655 178.775 176.117 0.005 0.000 1.093 1219 I CA 1.638 62.873 61.300 -0.109 0.000 1.355 1219 I CB -0.471 37.398 38.000 -0.219 0.000 1.046 1219 I HN 0.262 nan 8.210 nan 0.000 0.413 1220 K N 1.330 121.752 120.400 0.036 0.000 2.103 1220 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 1220 K C 2.213 178.896 176.600 0.137 0.000 1.048 1220 K CA 2.032 58.400 56.287 0.135 0.000 0.930 1220 K CB -0.160 32.404 32.500 0.106 0.000 0.716 1220 K HN 0.381 nan 8.250 nan 0.000 0.444 1221 E N 0.597 120.826 120.200 0.048 0.000 2.051 1221 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 1221 E C 1.905 178.575 176.600 0.116 0.000 0.991 1221 E CA 1.995 58.423 56.400 0.046 0.000 0.799 1221 E CB -1.635 28.051 29.700 -0.024 0.000 0.748 1221 E HN 0.746 nan 8.360 nan 0.000 0.449 1222 T N -2.033 112.600 114.554 0.132 0.000 2.915 1222 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 1222 T C 2.035 176.940 174.700 0.342 0.000 1.071 1222 T CA 1.613 63.847 62.100 0.224 0.000 1.132 1222 T CB -0.423 68.558 68.868 0.189 0.000 0.878 1222 T HN 0.605 nan 8.240 nan 0.000 0.479 1223 H N 1.699 120.885 119.070 0.193 0.000 2.395 1223 H HA 0.048 4.603 4.556 -0.000 0.000 0.299 1223 H C 1.748 177.278 175.328 0.337 0.000 1.070 1223 H CA 1.578 57.776 56.048 0.251 0.000 1.356 1223 H CB -0.577 29.279 29.762 0.156 0.000 1.401 1223 H HN 0.272 nan 8.280 nan 0.000 0.524 1224 D N -0.667 119.845 120.400 0.187 0.000 2.178 1224 D HA -0.103 4.536 4.640 -0.000 0.000 0.202 1224 D C 2.213 178.591 176.300 0.131 0.000 0.974 1224 D CA 1.167 55.219 54.000 0.087 0.000 0.841 1224 D CB -0.127 40.723 40.800 0.084 0.000 0.953 1224 D HN 0.317 nan 8.370 nan 0.000 0.478 1225 S N -0.162 115.677 115.700 0.231 0.000 2.368 1225 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 1225 S C 1.639 176.492 174.600 0.420 0.000 1.029 1225 S CA 0.707 59.101 58.200 0.322 0.000 0.988 1225 S CB -0.300 63.118 63.200 0.363 0.000 0.838 1225 S HN 0.488 nan 8.310 nan 0.000 0.462 1226 W N 2.664 124.118 121.300 0.256 0.000 2.402 1226 W HA -0.024 4.636 4.660 -0.000 0.000 0.286 1226 W C 1.779 178.283 176.519 -0.025 0.000 1.221 1226 W CA 0.983 58.421 57.345 0.155 0.000 1.257 1226 W CB -0.131 29.468 29.460 0.231 0.000 1.120 1226 W HN 0.117 nan 8.180 nan 0.000 0.551 1227 K N -0.011 120.330 120.400 -0.097 0.000 2.097 1227 K HA -0.274 4.046 4.320 -0.000 0.000 0.206 1227 K C 2.148 178.525 176.600 -0.372 0.000 1.049 1227 K CA 1.820 57.867 56.287 -0.401 0.000 0.933 1227 K CB -0.475 31.923 32.500 -0.170 0.000 0.717 1227 K HN 0.348 nan 8.250 nan 0.000 0.442 1228 Q N 1.037 120.730 119.800 -0.178 0.000 2.119 1228 Q HA -0.154 4.186 4.340 -0.000 0.000 0.201 1228 Q C 2.170 178.044 176.000 -0.209 0.000 0.972 1228 Q CA 0.970 56.696 55.803 -0.129 0.000 0.847 1228 Q CB 0.044 28.784 28.738 0.003 0.000 0.903 1228 Q HN 0.232 nan 8.270 nan 0.000 0.433 1229 L N 0.254 121.308 121.223 -0.282 0.000 2.044 1229 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 1229 L C 2.162 178.660 176.870 -0.619 0.000 1.075 1229 L CA 1.249 55.810 54.840 -0.465 0.000 0.747 1229 L CB -0.483 41.156 42.059 -0.701 0.000 0.903 1229 L HN 0.305 nan 8.230 nan 0.000 0.435 1230 I N 0.189 120.220 120.570 -0.899 0.000 2.493 1230 I HA -0.110 4.059 4.170 -0.000 0.000 0.254 1230 I C 2.189 177.956 176.117 -0.584 0.000 1.160 1230 I CA 1.327 62.066 61.300 -0.935 0.000 1.445 1230 I CB -0.596 36.530 38.000 -1.458 0.000 1.086 1230 I HN 0.322 nan 8.210 nan 0.000 0.433 1231 A N -0.213 122.320 122.820 -0.480 0.000 2.238 1231 A HA 0.383 4.703 4.320 -0.000 0.000 0.208 1231 A C 1.848 179.291 177.584 -0.235 0.000 1.177 1231 A CA 0.573 52.426 52.037 -0.307 0.000 0.804 1231 A CB -1.111 17.740 19.000 -0.249 0.000 0.823 1231 A HN 0.741 nan 8.150 nan 0.000 0.482 1232 G N -0.314 108.327 108.800 -0.264 0.000 2.176 1232 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 1232 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 1232 G C 0.523 175.342 174.900 -0.135 0.000 1.024 1232 G CA 0.772 45.756 45.100 -0.194 0.000 0.755 1232 G HN 0.571 nan 8.290 nan 0.000 0.507 1233 K N 0.061 120.382 120.400 -0.131 0.000 2.440 1233 K HA 0.312 4.632 4.320 -0.000 0.000 0.206 1233 K C 1.193 177.771 176.600 -0.036 0.000 1.025 1233 K CA 0.462 56.703 56.287 -0.077 0.000 1.135 1233 K CB 0.742 33.197 32.500 -0.076 0.000 0.856 1233 K HN 0.332 nan 8.250 nan 0.000 0.502 1234 S N 0.402 116.083 115.700 -0.031 0.000 2.601 1234 S HA 0.059 4.529 4.470 -0.000 0.000 0.271 1234 S C 1.323 175.952 174.600 0.049 0.000 1.305 1234 S CA -0.507 57.726 58.200 0.056 0.000 1.022 1234 S CB 1.257 64.526 63.200 0.115 0.000 0.940 1234 S HN 0.297 nan 8.310 nan 0.000 0.525 1235 S N 1.426 117.174 115.700 0.079 0.000 2.481 1235 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 1235 S C 0.066 174.707 174.600 0.069 0.000 0.996 1235 S CA 0.465 58.700 58.200 0.058 0.000 0.942 1235 S CB -0.309 62.925 63.200 0.055 0.000 0.768 1235 S HN 0.791 nan 8.310 nan 0.000 0.520 1236 D N 0.355 120.824 120.400 0.115 0.000 2.369 1236 D HA 0.178 4.818 4.640 -0.000 0.000 0.212 1236 D C 0.039 176.458 176.300 0.199 0.000 1.326 1236 D CA -0.058 54.016 54.000 0.124 0.000 0.933 1236 D CB 1.180 42.053 40.800 0.122 0.000 1.516 1236 D HN 0.085 nan 8.370 nan 0.000 0.557 1237 S N 2.204 117.956 115.700 0.087 0.000 2.593 1237 S HA 0.005 4.475 4.470 -0.000 0.000 0.217 1237 S C 0.680 175.338 174.600 0.096 0.000 0.966 1237 S CA -0.281 57.921 58.200 0.004 0.000 0.914 1237 S CB -0.073 63.036 63.200 -0.153 0.000 0.776 1237 S HN 0.447 nan 8.310 nan 0.000 0.523 1238 K N 0.908 121.399 120.400 0.151 0.000 3.077 1238 K HA -0.178 4.141 4.320 -0.000 0.000 0.264 1238 K C 0.900 177.563 176.600 0.106 0.000 1.008 1238 K CA 0.679 57.057 56.287 0.153 0.000 0.740 1238 K CB -2.751 29.894 32.500 0.241 0.000 1.273 1238 K HN 1.159 nan 8.250 nan 0.000 0.477 1239 G N -0.037 108.799 108.800 0.060 0.000 2.203 1239 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 1239 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 1239 G C 0.336 175.265 174.900 0.047 0.000 1.012 1239 G CA 0.480 45.606 45.100 0.044 0.000 0.749 1239 G HN 0.497 nan 8.290 nan 0.000 0.512 1240 I N 0.572 121.163 120.570 0.035 0.000 2.529 1240 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 1240 I C 0.479 176.604 176.117 0.013 0.000 1.082 1240 I CA -0.467 60.863 61.300 0.049 0.000 1.406 1240 I CB 0.785 38.790 38.000 0.008 0.000 1.405 1240 I HN 0.009 nan 8.210 nan 0.000 0.548 1241 D N 7.032 127.473 120.400 0.068 0.000 2.338 1241 D HA 0.119 4.758 4.640 -0.000 0.000 0.255 1241 D C 0.441 176.793 176.300 0.086 0.000 1.237 1241 D CA 0.103 54.139 54.000 0.061 0.000 0.883 1241 D CB 0.905 41.759 40.800 0.090 0.000 1.087 1241 D HN 0.403 nan 8.370 nan 0.000 0.485 1242 L N 3.066 124.253 121.223 -0.060 0.000 2.653 1242 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 1242 L C 0.848 177.628 176.870 -0.150 0.000 1.169 1242 L CA -0.075 54.606 54.840 -0.265 0.000 0.951 1242 L CB -0.081 41.739 42.059 -0.398 0.000 1.181 1242 L HN 0.203 nan 8.230 nan 0.000 0.460 1243 T N 1.860 116.428 114.554 0.022 0.000 2.867 1243 T HA 0.150 4.500 4.350 -0.000 0.000 0.297 1243 T C 0.131 174.916 174.700 0.141 0.000 0.989 1243 T CA 0.047 62.176 62.100 0.048 0.000 1.159 1243 T CB 0.127 69.025 68.868 0.050 0.000 0.928 1243 T HN 0.496 nan 8.240 nan 0.000 0.538 1244 N N -0.009 118.761 118.700 0.116 0.000 2.571 1244 N HA 0.567 5.307 4.740 -0.000 0.000 0.273 1244 N C -0.045 175.549 175.510 0.140 0.000 1.340 1244 N CA -1.114 52.054 53.050 0.197 0.000 0.789 1244 N CB 1.601 40.236 38.487 0.246 0.000 1.514 1244 N HN 0.284 nan 8.380 nan 0.000 0.499 1245 V N -4.236 115.784 119.914 0.176 0.000 3.252 1245 V HA 0.405 4.524 4.120 -0.000 0.000 0.320 1245 V C 0.502 176.785 176.094 0.316 0.000 1.459 1245 V CA 0.701 63.070 62.300 0.115 0.000 1.095 1245 V CB -0.292 31.558 31.823 0.046 0.000 0.997 1245 V HN 0.989 nan 8.190 nan 0.000 0.469 1246 T N -1.843 112.931 114.554 0.368 0.000 3.087 1246 T HA 0.446 4.796 4.350 -0.000 0.000 0.283 1246 T C 0.201 175.009 174.700 0.181 0.000 0.956 1246 T CA 0.041 62.315 62.100 0.288 0.000 0.894 1246 T CB -0.105 68.887 68.868 0.206 0.000 1.160 1246 T HN 0.355 nan 8.240 nan 0.000 0.532 1247 L N 2.597 123.932 121.223 0.186 0.000 2.435 1247 L HA 0.443 4.783 4.340 -0.000 0.000 0.253 1247 L C -1.858 174.771 176.870 -0.402 0.000 1.087 1247 L CA -2.388 52.438 54.840 -0.023 0.000 0.950 1247 L CB 1.288 43.395 42.059 0.080 0.000 1.304 1247 L HN -0.105 nan 8.230 nan 0.000 0.453 1248 P HA -0.155 nan 4.420 nan 0.000 0.221 1248 P C 0.385 177.352 177.300 -0.555 0.000 1.145 1248 P CA 1.122 63.428 63.100 -1.323 0.000 0.795 1248 P CB 0.425 31.661 31.700 -0.774 0.000 0.775 1249 D N -0.541 119.670 120.400 -0.315 0.000 2.340 1249 D HA 0.032 4.672 4.640 -0.000 0.000 0.217 1249 D C 0.703 176.922 176.300 -0.135 0.000 1.081 1249 D CA 0.489 54.383 54.000 -0.177 0.000 0.842 1249 D CB -0.016 40.703 40.800 -0.133 0.000 0.934 1249 D HN 0.278 nan 8.370 nan 0.000 0.511 1250 T N -1.948 112.531 114.554 -0.125 0.000 2.902 1250 T HA 0.339 4.689 4.350 -0.000 0.000 0.283 1250 T C -1.717 172.956 174.700 -0.045 0.000 1.009 1250 T CA -1.663 60.374 62.100 -0.106 0.000 1.051 1250 T CB 2.498 71.287 68.868 -0.132 0.000 0.999 1250 T HN -0.264 nan 8.240 nan 0.000 0.474 1251 P HA -0.042 nan 4.420 nan 0.000 0.225 1251 P C 1.055 178.342 177.300 -0.022 0.000 1.148 1251 P CA 0.935 64.009 63.100 -0.044 0.000 0.779 1251 P CB -0.290 31.368 31.700 -0.071 0.000 0.780 1252 T N -5.557 108.975 114.554 -0.036 0.000 3.186 1252 T HA 0.075 4.425 4.350 -0.000 0.000 0.257 1252 T C 0.275 174.995 174.700 0.034 0.000 1.029 1252 T CA -0.675 61.408 62.100 -0.029 0.000 0.916 1252 T CB -1.061 67.752 68.868 -0.091 0.000 1.041 1252 T HN -0.064 nan 8.240 nan 0.000 0.562 1253 Y N 2.615 122.881 120.300 -0.055 0.000 2.544 1253 Y HA 0.425 4.975 4.550 -0.000 0.000 0.330 1253 Y C 0.152 176.044 175.900 -0.012 0.000 1.136 1253 Y CA -0.541 57.544 58.100 -0.025 0.000 1.417 1253 Y CB 0.429 38.875 38.460 -0.023 0.000 1.229 1253 Y HN 0.210 nan 8.280 nan 0.000 0.532 1254 S N 6.522 121.898 115.700 -0.540 0.000 2.446 1254 S HA 0.225 4.695 4.470 -0.000 0.000 0.230 1254 S C 0.342 174.683 174.600 -0.431 0.000 1.051 1254 S CA -0.836 57.088 58.200 -0.461 0.000 1.113 1254 S CB 0.388 63.474 63.200 -0.190 0.000 1.184 1254 S HN 0.926 nan 8.310 nan 0.000 0.435 1255 K N 2.181 122.252 120.400 -0.549 0.000 2.113 1255 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 1255 K C 2.130 178.642 176.600 -0.148 0.000 1.047 1255 K CA 1.560 57.677 56.287 -0.284 0.000 0.928 1255 K CB -0.201 32.180 32.500 -0.199 0.000 0.716 1255 K HN 0.712 nan 8.250 nan 0.000 0.446 1256 A N 1.076 123.813 122.820 -0.138 0.000 2.125 1256 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 1256 A C 2.216 179.757 177.584 -0.071 0.000 1.156 1256 A CA 1.620 53.606 52.037 -0.086 0.000 0.671 1256 A CB -0.497 18.459 19.000 -0.074 0.000 0.794 1256 A HN 0.365 nan 8.150 nan 0.000 0.459 1257 A N -0.735 122.039 122.820 -0.077 0.000 1.978 1257 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 1257 A C 2.417 179.974 177.584 -0.046 0.000 1.170 1257 A CA 2.026 54.035 52.037 -0.047 0.000 0.636 1257 A CB -0.837 18.146 19.000 -0.029 0.000 0.810 1257 A HN 0.508 nan 8.150 nan 0.000 0.448 1258 S N -0.076 115.596 115.700 -0.047 0.000 2.356 1258 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 1258 S C 1.433 175.991 174.600 -0.070 0.000 1.032 1258 S CA 1.857 60.029 58.200 -0.046 0.000 1.005 1258 S CB -0.477 62.708 63.200 -0.024 0.000 0.867 1258 S HN 0.683 nan 8.310 nan 0.000 0.449 1259 D N 0.854 121.219 120.400 -0.059 0.000 2.348 1259 D HA 0.172 4.812 4.640 -0.000 0.000 0.216 1259 D C 1.831 178.092 176.300 -0.066 0.000 0.970 1259 D CA 0.773 54.738 54.000 -0.058 0.000 0.889 1259 D CB -0.097 40.677 40.800 -0.044 0.000 0.912 1259 D HN 0.442 nan 8.370 nan 0.000 0.524 1260 A N 0.615 123.394 122.820 -0.070 0.000 2.067 1260 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 1260 A C 0.829 178.356 177.584 -0.096 0.000 1.156 1260 A CA 0.175 52.174 52.037 -0.065 0.000 0.683 1260 A CB -0.147 18.825 19.000 -0.047 0.000 0.808 1260 A HN 0.082 nan 8.150 nan 0.000 0.455 1261 I N 2.165 122.640 120.570 -0.158 0.000 2.533 1261 I HA 0.146 4.316 4.170 -0.000 0.000 0.284 1261 I C -1.998 173.998 176.117 -0.203 0.000 1.109 1261 I CA -2.501 58.634 61.300 -0.276 0.000 1.412 1261 I CB -0.390 37.298 38.000 -0.521 0.000 1.396 1261 I HN 0.123 nan 8.210 nan 0.000 0.543 1262 P HA 0.216 nan 4.420 nan 0.000 0.270 1262 P C -2.539 174.707 177.300 -0.090 0.000 1.223 1262 P CA -1.002 62.046 63.100 -0.087 0.000 0.785 1262 P CB -0.437 31.238 31.700 -0.041 0.000 0.923 1263 P HA 0.089 nan 4.420 nan 0.000 0.272 1263 P C -0.294 177.002 177.300 -0.007 0.000 1.240 1263 P CA -0.184 62.898 63.100 -0.030 0.000 0.791 1263 P CB 0.263 31.955 31.700 -0.015 0.000 0.978 1264 A N 1.618 124.443 122.820 0.009 0.000 2.520 1264 A HA 0.313 4.633 4.320 -0.000 0.000 0.235 1264 A C 0.746 178.353 177.584 0.039 0.000 1.065 1264 A CA 0.588 52.647 52.037 0.037 0.000 0.764 1264 A CB -0.675 18.351 19.000 0.043 0.000 1.002 1264 A HN 0.596 nan 8.150 nan 0.000 0.502 1265 S N 1.729 117.463 115.700 0.056 0.000 2.598 1265 S HA 0.312 4.782 4.470 -0.000 0.000 0.209 1265 S C -0.404 174.237 174.600 0.070 0.000 1.029 1265 S CA -0.437 57.795 58.200 0.054 0.000 1.172 1265 S CB -0.698 62.534 63.200 0.052 0.000 1.427 1265 S HN 0.724 nan 8.310 nan 0.000 0.418 1266 L N 2.471 123.736 121.223 0.070 0.000 2.525 1266 L HA 0.284 4.624 4.340 -0.000 0.000 0.278 1266 L C -0.113 176.797 176.870 0.068 0.000 1.218 1266 L CA 0.807 55.695 54.840 0.080 0.000 0.878 1266 L CB 0.327 42.427 42.059 0.068 0.000 1.127 1266 L HN 0.449 nan 8.230 nan 0.000 0.492 1267 K N 4.063 124.508 120.400 0.076 0.000 2.482 1267 K HA 0.601 4.921 4.320 -0.000 0.000 0.257 1267 K C -0.905 175.722 176.600 0.046 0.000 0.969 1267 K CA -0.969 55.351 56.287 0.056 0.000 0.842 1267 K CB 1.687 34.222 32.500 0.058 0.000 1.359 1267 K HN 0.591 nan 8.250 nan 0.000 0.441 1268 A N 1.542 124.380 122.820 0.030 0.000 2.483 1268 A HA 0.080 4.399 4.320 -0.000 0.000 0.238 1268 A C -0.394 177.193 177.584 0.006 0.000 1.070 1268 A CA -0.004 52.044 52.037 0.018 0.000 0.770 1268 A CB -0.205 18.804 19.000 0.014 0.000 1.008 1268 A HN 0.642 nan 8.150 nan 0.000 0.497 1269 D N 0.730 121.124 120.400 -0.009 0.000 2.506 1269 D HA 0.354 4.994 4.640 -0.000 0.000 0.234 1269 D C 0.572 176.861 176.300 -0.019 0.000 1.143 1269 D CA 1.436 55.414 54.000 -0.036 0.000 0.871 1269 D CB 0.516 41.296 40.800 -0.034 0.000 1.190 1269 D HN 0.744 nan 8.370 nan 0.000 0.459 1270 A N 3.325 126.130 122.820 -0.024 0.000 2.293 1270 A HA 0.557 4.877 4.320 -0.000 0.000 0.302 1270 A C -2.175 175.413 177.584 0.008 0.000 1.119 1270 A CA -1.196 50.842 52.037 0.001 0.000 0.823 1270 A CB 0.264 19.272 19.000 0.013 0.000 1.097 1270 A HN 0.397 nan 8.150 nan 0.000 0.491 1271 P HA 0.308 nan 4.420 nan 0.000 0.272 1271 P C -0.832 176.471 177.300 0.005 0.000 1.223 1271 P CA 0.212 63.313 63.100 0.002 0.000 0.784 1271 P CB 0.543 32.243 31.700 -0.001 0.000 0.923 1272 I N 1.168 121.718 120.570 -0.033 0.000 2.412 1272 I HA 0.172 4.342 4.170 -0.000 0.000 0.296 1272 I C 0.999 177.037 176.117 -0.132 0.000 0.987 1272 I CA -0.777 60.461 61.300 -0.104 0.000 1.180 1272 I CB 1.033 38.891 38.000 -0.236 0.000 1.340 1272 I HN 0.340 nan 8.210 nan 0.000 0.455 1273 D N 5.817 126.136 120.400 -0.134 0.000 2.571 1273 D HA -0.096 4.544 4.640 -0.000 0.000 0.231 1273 D C 0.859 177.091 176.300 -0.113 0.000 1.133 1273 D CA 0.282 54.228 54.000 -0.089 0.000 0.862 1273 D CB 0.980 41.749 40.800 -0.052 0.000 1.179 1273 D HN 0.386 nan 8.370 nan 0.000 0.474 1274 K N 1.766 122.129 120.400 -0.062 0.000 2.360 1274 K HA -0.113 4.206 4.320 -0.000 0.000 0.201 1274 K C 1.903 178.478 176.600 -0.042 0.000 1.046 1274 K CA 0.670 56.925 56.287 -0.053 0.000 0.945 1274 K CB -0.348 32.133 32.500 -0.032 0.000 0.750 1274 K HN 0.515 nan 8.250 nan 0.000 0.464 1275 S N 0.562 116.245 115.700 -0.029 0.000 2.474 1275 S HA -0.050 4.419 4.470 -0.000 0.000 0.235 1275 S C 1.702 176.319 174.600 0.028 0.000 0.997 1275 S CA 0.383 58.590 58.200 0.011 0.000 0.949 1275 S CB -0.170 63.052 63.200 0.037 0.000 0.766 1275 S HN 0.056 nan 8.310 nan 0.000 0.517 1276 I N 2.588 123.124 120.570 -0.056 0.000 3.001 1276 I HA 0.005 4.175 4.170 -0.000 0.000 0.268 1276 I C 1.457 177.578 176.117 0.006 0.000 1.267 1276 I CA 0.428 61.691 61.300 -0.061 0.000 1.472 1276 I CB -1.416 36.389 38.000 -0.324 0.000 1.089 1276 I HN 0.207 nan 8.210 nan 0.000 0.468 1277 D N 1.290 121.682 120.400 -0.014 0.000 2.144 1277 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 1277 D C 1.317 177.622 176.300 0.010 0.000 0.984 1277 D CA 0.717 54.702 54.000 -0.025 0.000 0.834 1277 D CB -0.135 40.640 40.800 -0.042 0.000 0.955 1277 D HN 0.235 nan 8.370 nan 0.000 0.465 1278 K N 0.313 120.751 120.400 0.064 0.000 2.543 1278 K HA -0.144 4.176 4.320 -0.000 0.000 0.279 1278 K C -0.641 176.084 176.600 0.209 0.000 1.001 1278 K CA 0.117 56.448 56.287 0.073 0.000 1.088 1278 K CB 0.273 32.771 32.500 -0.004 0.000 0.863 1278 K HN -0.023 nan 8.250 nan 0.000 0.488 1279 W N 6.681 127.951 121.300 -0.051 0.000 2.291 1279 W HA 0.285 4.945 4.660 -0.000 0.000 0.312 1279 W C -1.202 175.207 176.519 -0.183 0.000 1.061 1279 W CA -1.266 56.057 57.345 -0.036 0.000 1.296 1279 W CB 0.090 29.523 29.460 -0.044 0.000 1.223 1279 W HN 0.407 nan 8.180 nan 0.000 0.421 1280 F N 5.026 125.035 119.950 0.098 0.000 2.394 1280 F HA 0.330 4.857 4.527 -0.000 0.000 0.340 1280 F C -0.143 175.467 175.800 -0.317 0.000 1.105 1280 F CA -0.407 57.588 58.000 -0.009 0.000 1.124 1280 F CB 0.531 39.550 39.000 0.032 0.000 1.145 1280 F HN -0.018 nan 8.300 nan 0.000 0.505 1281 F N 5.174 125.159 119.950 0.058 0.000 2.307 1281 F HA 0.471 4.998 4.527 -0.000 0.000 0.369 1281 F C 0.275 176.087 175.800 0.020 0.000 1.076 1281 F CA -0.773 57.201 58.000 -0.042 0.000 1.149 1281 F CB 0.370 39.252 39.000 -0.198 0.000 1.410 1281 F HN 0.221 nan 8.300 nan 0.000 0.481 1282 I N 0.000 120.649 120.570 0.131 0.000 2.984 1282 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1282 I CA 0.000 61.358 61.300 0.097 0.000 1.566 1282 I CB 0.000 38.041 38.000 0.068 0.000 1.214 1282 I HN 0.000 nan 8.210 nan 0.000 0.494