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 8prk_1_B DATA FIRST_RESID 1001 DATA SEQUENCE TYTTRQIGAK NTLEYKVYIE KDGKPVSAFH DIPLYADKEN NIFNMVVEIP DATA SEQUENCE RWTNAKLEIT KEETLNPIIQ DTKKGKLKFV RNCFPHHGYI HNYGAFPQTW DATA SEQUENCE EDPNVSHPET KAVGDNDPID 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 0.000 174.534 174.700 -0.276 0.000 1.109 1001 T CA 0.000 61.966 62.100 -0.223 0.000 1.349 1001 T CB 0.000 68.817 68.868 -0.084 0.000 0.612 1002 Y N 2.591 122.917 120.300 0.044 0.000 2.326 1002 Y HA 0.638 5.188 4.550 -0.000 0.000 0.337 1002 Y C 1.341 177.288 175.900 0.078 0.000 1.023 1002 Y CA -0.477 57.655 58.100 0.054 0.000 1.143 1002 Y CB 1.405 39.892 38.460 0.045 0.000 1.183 1002 Y HN 0.815 nan 8.280 nan 0.000 0.485 1003 T N -1.798 112.903 114.554 0.244 0.000 2.831 1003 T HA 0.812 5.162 4.350 -0.000 0.000 0.287 1003 T C -0.308 174.505 174.700 0.187 0.000 1.070 1003 T CA -0.974 61.238 62.100 0.185 0.000 1.010 1003 T CB 1.693 70.627 68.868 0.109 0.000 1.264 1003 T HN 0.505 nan 8.240 nan 0.000 0.532 1004 T N -1.191 113.457 114.554 0.158 0.000 2.908 1004 T HA 0.705 5.055 4.350 -0.000 0.000 0.290 1004 T C -0.706 174.060 174.700 0.109 0.000 1.034 1004 T CA -1.038 61.150 62.100 0.146 0.000 1.010 1004 T CB 1.879 70.850 68.868 0.171 0.000 1.068 1004 T HN 0.902 nan 8.240 nan 0.000 0.481 1005 R N 1.546 122.118 120.500 0.120 0.000 2.451 1005 R HA 0.374 4.714 4.340 -0.000 0.000 0.307 1005 R C -0.925 175.442 176.300 0.111 0.000 0.965 1005 R CA -0.524 55.639 56.100 0.105 0.000 0.865 1005 R CB 1.455 31.815 30.300 0.099 0.000 1.174 1005 R HN 0.849 nan 8.270 nan 0.000 0.455 1006 Q N 5.557 125.402 119.800 0.076 0.000 2.271 1006 Q HA 0.342 4.682 4.340 -0.000 0.000 0.258 1006 Q C -0.840 175.198 176.000 0.065 0.000 0.936 1006 Q CA -0.761 55.070 55.803 0.047 0.000 0.909 1006 Q CB 1.211 30.002 28.738 0.089 0.000 1.253 1006 Q HN 0.508 nan 8.270 nan 0.000 0.440 1007 I N 3.942 124.536 120.570 0.040 0.000 2.362 1007 I HA 0.524 4.694 4.170 -0.000 0.000 0.289 1007 I C 0.805 176.985 176.117 0.104 0.000 0.994 1007 I CA 0.365 61.710 61.300 0.074 0.000 1.158 1007 I CB 0.210 38.269 38.000 0.098 0.000 1.315 1007 I HN 0.946 nan 8.210 nan 0.000 0.451 1008 G N 5.084 113.959 108.800 0.124 0.000 2.725 1008 G HA2 0.074 4.034 3.960 -0.000 0.000 0.220 1008 G HA3 0.074 4.034 3.960 -0.000 0.000 0.220 1008 G C -0.499 174.529 174.900 0.213 0.000 1.357 1008 G CA -0.259 44.935 45.100 0.157 0.000 0.866 1008 G HN 1.041 nan 8.290 nan 0.000 0.548 1009 A N -0.210 122.718 122.820 0.179 0.000 2.312 1009 A HA 0.750 5.070 4.320 -0.000 0.000 0.326 1009 A C 0.562 178.163 177.584 0.028 0.000 1.172 1009 A CA 0.561 52.668 52.037 0.117 0.000 0.821 1009 A CB 1.044 20.079 19.000 0.058 0.000 1.166 1009 A HN 1.160 nan 8.150 nan 0.000 0.493 1010 K N 1.778 122.068 120.400 -0.184 0.000 2.469 1010 K HA 0.005 4.325 4.320 -0.000 0.000 0.274 1010 K C -0.160 176.223 176.600 -0.362 0.000 0.983 1010 K CA 0.569 56.404 56.287 -0.753 0.000 0.974 1010 K CB 0.036 32.224 32.500 -0.520 0.000 0.913 1010 K HN 0.780 nan 8.250 nan 0.000 0.493 1011 N N 0.607 119.087 118.700 -0.368 0.000 2.818 1011 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 1011 N C -0.959 174.555 175.510 0.006 0.000 1.108 1011 N CA 1.480 54.489 53.050 -0.068 0.000 0.745 1011 N CB -1.864 36.649 38.487 0.043 0.000 1.104 1011 N HN 0.857 nan 8.380 nan 0.000 0.557 1012 T N -3.486 111.066 114.554 -0.004 0.000 2.901 1012 T HA 0.670 5.019 4.350 -0.000 0.000 0.293 1012 T C 1.296 176.046 174.700 0.084 0.000 1.084 1012 T CA -0.960 61.175 62.100 0.057 0.000 1.008 1012 T CB 1.640 70.551 68.868 0.071 0.000 1.170 1012 T HN -0.031 nan 8.240 nan 0.000 0.509 1013 L N 0.161 121.428 121.223 0.073 0.000 2.291 1013 L HA 0.047 4.387 4.340 -0.000 0.000 0.214 1013 L C 2.206 179.128 176.870 0.086 0.000 1.120 1013 L CA 1.103 55.984 54.840 0.068 0.000 0.799 1013 L CB -0.422 41.667 42.059 0.050 0.000 0.925 1013 L HN 0.706 nan 8.230 nan 0.000 0.446 1014 E N -1.145 119.116 120.200 0.102 0.000 2.371 1014 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 1014 E C 0.126 176.807 176.600 0.135 0.000 1.012 1014 E CA -0.021 56.440 56.400 0.101 0.000 0.860 1014 E CB -0.137 29.617 29.700 0.091 0.000 0.811 1014 E HN 0.273 nan 8.360 nan 0.000 0.502 1015 Y N 2.455 122.767 120.300 0.021 0.000 2.721 1015 Y HA -0.008 4.542 4.550 -0.000 0.000 0.329 1015 Y C -0.264 175.635 175.900 -0.002 0.000 1.211 1015 Y CA 0.243 58.354 58.100 0.017 0.000 1.512 1015 Y CB 0.169 38.635 38.460 0.011 0.000 1.249 1015 Y HN -0.248 nan 8.280 nan 0.000 0.549 1016 K N 4.774 124.891 120.400 -0.471 0.000 2.502 1016 K HA 0.645 4.965 4.320 -0.000 0.000 0.257 1016 K C -1.819 174.428 176.600 -0.589 0.000 0.938 1016 K CA -1.116 54.868 56.287 -0.506 0.000 0.819 1016 K CB 2.548 34.904 32.500 -0.241 0.000 1.333 1016 K HN 0.337 nan 8.250 nan 0.000 0.434 1017 V N 3.115 122.690 119.914 -0.566 0.000 2.409 1017 V HA 0.332 4.452 4.120 -0.000 0.000 0.290 1017 V C -1.353 174.570 176.094 -0.285 0.000 1.017 1017 V CA -0.856 61.245 62.300 -0.330 0.000 0.841 1017 V CB 0.575 32.240 31.823 -0.263 0.000 1.003 1017 V HN 0.607 nan 8.190 nan 0.000 0.426 1018 Y N 4.075 124.332 120.300 -0.072 0.000 2.352 1018 Y HA 0.594 5.144 4.550 -0.000 0.000 0.326 1018 Y C 0.446 176.348 175.900 0.003 0.000 1.166 1018 Y CA -0.670 57.413 58.100 -0.028 0.000 1.182 1018 Y CB 1.481 39.934 38.460 -0.011 0.000 1.216 1018 Y HN 0.441 nan 8.280 nan 0.000 0.474 1019 I N 2.941 123.607 120.570 0.160 0.000 2.353 1019 I HA 0.221 4.391 4.170 -0.000 0.000 0.293 1019 I C -0.421 175.812 176.117 0.194 0.000 0.992 1019 I CA -0.381 61.000 61.300 0.135 0.000 1.268 1019 I CB 0.972 38.992 38.000 0.035 0.000 1.387 1019 I HN 0.592 nan 8.210 nan 0.000 0.478 1020 E N 5.110 125.434 120.200 0.207 0.000 2.202 1020 E HA 0.418 4.768 4.350 -0.000 0.000 0.272 1020 E C -0.857 175.882 176.600 0.231 0.000 0.951 1020 E CA -1.054 55.455 56.400 0.181 0.000 0.813 1020 E CB 2.068 31.838 29.700 0.117 0.000 1.151 1020 E HN 0.171 nan 8.360 nan 0.000 0.398 1021 K N 2.408 122.896 120.400 0.147 0.000 2.483 1021 K HA 0.148 4.468 4.320 -0.000 0.000 0.256 1021 K C -1.258 175.329 176.600 -0.022 0.000 0.961 1021 K CA -0.442 55.853 56.287 0.013 0.000 0.873 1021 K CB 0.415 32.952 32.500 0.062 0.000 1.107 1021 K HN 0.395 nan 8.250 nan 0.000 0.432 1022 D N 4.153 124.515 120.400 -0.063 0.000 2.708 1022 D HA -0.195 4.445 4.640 -0.000 0.000 0.236 1022 D C 0.716 177.012 176.300 -0.006 0.000 1.146 1022 D CA 1.912 55.889 54.000 -0.038 0.000 0.662 1022 D CB -1.288 39.487 40.800 -0.042 0.000 1.059 1022 D HN 1.044 nan 8.370 nan 0.000 0.428 1023 G N -0.816 107.991 108.800 0.011 0.000 2.234 1023 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 1023 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 1023 G C 0.283 175.195 174.900 0.019 0.000 0.987 1023 G CA 0.727 45.837 45.100 0.017 0.000 0.625 1023 G HN 0.491 nan 8.290 nan 0.000 0.532 1024 K N 1.419 121.834 120.400 0.025 0.000 2.213 1024 K HA 0.461 4.781 4.320 -0.000 0.000 0.270 1024 K C -2.769 173.862 176.600 0.050 0.000 1.002 1024 K CA -2.022 54.280 56.287 0.024 0.000 0.868 1024 K CB 1.924 34.437 32.500 0.022 0.000 1.093 1024 K HN 0.002 nan 8.250 nan 0.000 0.454 1025 P HA -0.061 nan 4.420 nan 0.000 0.267 1025 P C -0.656 176.704 177.300 0.100 0.000 1.205 1025 P CA -0.255 62.882 63.100 0.063 0.000 0.765 1025 P CB 0.660 32.329 31.700 -0.051 0.000 0.828 1026 V N 0.296 120.303 119.914 0.154 0.000 3.126 1026 V HA 0.625 4.744 4.120 -0.000 0.000 0.314 1026 V C 0.009 176.204 176.094 0.169 0.000 1.138 1026 V CA -1.130 61.267 62.300 0.161 0.000 1.034 1026 V CB 1.857 33.793 31.823 0.189 0.000 1.075 1026 V HN 0.405 nan 8.190 nan 0.000 0.442 1027 S N 1.218 117.020 115.700 0.170 0.000 2.498 1027 S HA 0.460 4.930 4.470 -0.000 0.000 0.281 1027 S C 1.309 175.961 174.600 0.086 0.000 1.265 1027 S CA 0.101 58.393 58.200 0.153 0.000 1.071 1027 S CB 0.667 64.000 63.200 0.220 0.000 0.894 1027 S HN 1.690 nan 8.310 nan 0.000 0.491 1028 A N 5.521 128.363 122.820 0.036 0.000 2.066 1028 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 1028 A C 1.540 179.102 177.584 -0.037 0.000 1.157 1028 A CA 0.763 52.778 52.037 -0.036 0.000 0.670 1028 A CB -0.492 18.461 19.000 -0.078 0.000 0.804 1028 A HN 0.873 nan 8.150 nan 0.000 0.453 1029 F N -0.051 119.741 119.950 -0.265 0.000 2.220 1029 F HA 0.116 4.643 4.527 -0.000 0.000 0.290 1029 F C 2.014 177.578 175.800 -0.393 0.000 1.080 1029 F CA 1.420 59.173 58.000 -0.411 0.000 1.318 1029 F CB -0.535 38.071 39.000 -0.656 0.000 1.063 1029 F HN 0.431 nan 8.300 nan 0.000 0.498 1030 H N -2.069 117.165 119.070 0.273 0.000 2.557 1030 H HA 0.139 4.695 4.556 -0.000 0.000 0.281 1030 H C 1.166 176.617 175.328 0.206 0.000 0.990 1030 H CA 0.703 56.917 56.048 0.277 0.000 1.278 1030 H CB 0.181 30.142 29.762 0.332 0.000 1.451 1030 H HN 0.066 nan 8.280 nan 0.000 0.516 1031 D N 0.782 121.332 120.400 0.250 0.000 2.348 1031 D HA 0.060 4.700 4.640 -0.000 0.000 0.211 1031 D C 0.253 176.640 176.300 0.144 0.000 0.998 1031 D CA 0.417 54.543 54.000 0.209 0.000 0.873 1031 D CB 0.618 41.546 40.800 0.213 0.000 0.925 1031 D HN 0.358 nan 8.370 nan 0.000 0.524 1032 I N 2.575 123.172 120.570 0.045 0.000 2.325 1032 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 1032 I C -2.276 173.816 176.117 -0.041 0.000 1.019 1032 I CA -2.025 59.261 61.300 -0.023 0.000 1.302 1032 I CB 1.199 39.069 38.000 -0.217 0.000 1.401 1032 I HN -0.412 nan 8.210 nan 0.000 0.485 1033 P HA -0.057 nan 4.420 nan 0.000 0.265 1033 P C 0.552 177.795 177.300 -0.095 0.000 1.193 1033 P CA -0.234 62.869 63.100 0.004 0.000 0.765 1033 P CB 0.704 32.449 31.700 0.073 0.000 0.823 1034 L N 4.465 125.575 121.223 -0.187 0.000 2.042 1034 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 1034 L C 0.133 176.737 176.870 -0.443 0.000 1.076 1034 L CA 1.771 56.373 54.840 -0.396 0.000 0.749 1034 L CB -0.904 40.741 42.059 -0.691 0.000 0.893 1034 L HN 0.263 nan 8.230 nan 0.000 0.432 1035 Y N -1.415 118.753 120.300 -0.220 0.000 2.360 1035 Y HA 0.546 5.096 4.550 -0.000 0.000 0.337 1035 Y C 1.071 176.863 175.900 -0.181 0.000 1.039 1035 Y CA -0.292 57.633 58.100 -0.292 0.000 1.109 1035 Y CB 1.277 39.527 38.460 -0.351 0.000 1.201 1035 Y HN -0.020 nan 8.280 nan 0.000 0.458 1036 A N 1.059 123.855 122.820 -0.039 0.000 1.943 1036 A HA 0.021 4.341 4.320 -0.000 0.000 0.213 1036 A C 0.151 177.719 177.584 -0.026 0.000 1.181 1036 A CA 1.171 53.202 52.037 -0.010 0.000 0.653 1036 A CB 0.142 19.134 19.000 -0.013 0.000 0.833 1036 A HN 0.647 nan 8.150 nan 0.000 0.451 1037 D N -1.767 118.593 120.400 -0.068 0.000 2.386 1037 D HA 0.461 5.100 4.640 -0.000 0.000 0.247 1037 D C 0.865 177.071 176.300 -0.157 0.000 1.336 1037 D CA 0.473 54.416 54.000 -0.095 0.000 0.976 1037 D CB 1.238 41.985 40.800 -0.089 0.000 1.257 1037 D HN 0.062 nan 8.370 nan 0.000 0.570 1038 K N 2.052 122.321 120.400 -0.217 0.000 2.026 1038 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 1038 K C 1.923 178.309 176.600 -0.357 0.000 1.048 1038 K CA 2.297 58.303 56.287 -0.467 0.000 0.929 1038 K CB -1.318 30.872 32.500 -0.517 0.000 0.713 1038 K HN 0.550 nan 8.250 nan 0.000 0.439 1039 E N 0.156 120.221 120.200 -0.226 0.000 2.085 1039 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 1039 E C 2.012 178.527 176.600 -0.141 0.000 0.994 1039 E CA 1.963 58.265 56.400 -0.164 0.000 0.801 1039 E CB -1.616 28.015 29.700 -0.115 0.000 0.743 1039 E HN 0.931 nan 8.360 nan 0.000 0.453 1040 N N -0.070 118.549 118.700 -0.136 0.000 2.322 1040 N HA 0.125 4.865 4.740 -0.000 0.000 0.194 1040 N C 0.897 176.322 175.510 -0.142 0.000 1.126 1040 N CA 0.534 53.518 53.050 -0.110 0.000 0.845 1040 N CB -0.578 37.859 38.487 -0.083 0.000 0.976 1040 N HN 0.586 nan 8.380 nan 0.000 0.475 1041 N N -0.481 118.087 118.700 -0.219 0.000 2.721 1041 N HA -0.106 4.634 4.740 -0.000 0.000 0.249 1041 N C -0.993 174.175 175.510 -0.570 0.000 1.072 1041 N CA 0.466 53.292 53.050 -0.373 0.000 0.710 1041 N CB -0.988 37.406 38.487 -0.155 0.000 0.993 1041 N HN 0.458 nan 8.380 nan 0.000 0.547 1042 I N 1.177 121.502 120.570 -0.408 0.000 2.325 1042 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 1042 I C 0.606 176.463 176.117 -0.434 0.000 1.019 1042 I CA -0.062 61.071 61.300 -0.278 0.000 1.302 1042 I CB -0.311 37.615 38.000 -0.123 0.000 1.401 1042 I HN -0.025 nan 8.210 nan 0.000 0.485 1043 F N 4.457 124.288 119.950 -0.199 0.000 2.440 1043 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 1043 F C 0.837 176.511 175.800 -0.211 0.000 1.070 1043 F CA -0.661 57.089 58.000 -0.417 0.000 1.011 1043 F CB 0.834 39.255 39.000 -0.966 0.000 1.226 1043 F HN 0.372 nan 8.300 nan 0.000 0.491 1044 N N 1.876 120.561 118.700 -0.026 0.000 2.426 1044 N HA 0.369 5.109 4.740 -0.000 0.000 0.275 1044 N C -0.946 174.631 175.510 0.112 0.000 1.019 1044 N CA -0.514 52.539 53.050 0.006 0.000 0.941 1044 N CB 0.971 39.420 38.487 -0.063 0.000 1.123 1044 N HN 0.470 nan 8.380 nan 0.000 0.486 1045 M N 3.624 123.287 119.600 0.104 0.000 2.227 1045 M HA 0.357 4.837 4.480 -0.000 0.000 0.335 1045 M C -1.468 174.763 176.300 -0.116 0.000 1.053 1045 M CA -0.814 54.525 55.300 0.065 0.000 0.973 1045 M CB 1.136 33.728 32.600 -0.014 0.000 1.623 1045 M HN 0.151 nan 8.290 nan 0.000 0.434 1046 V N 5.936 125.749 119.914 -0.169 0.000 2.406 1046 V HA 0.242 4.362 4.120 -0.000 0.000 0.272 1046 V C -0.074 175.874 176.094 -0.242 0.000 1.043 1046 V CA -0.606 61.565 62.300 -0.216 0.000 0.915 1046 V CB 1.152 32.848 31.823 -0.211 0.000 0.988 1046 V HN 0.665 nan 8.190 nan 0.000 0.466 1047 V N 5.393 125.158 119.914 -0.247 0.000 2.498 1047 V HA 0.246 4.366 4.120 -0.000 0.000 0.279 1047 V C 0.793 176.774 176.094 -0.188 0.000 1.048 1047 V CA -0.013 62.143 62.300 -0.241 0.000 0.967 1047 V CB 1.172 32.831 31.823 -0.273 0.000 0.988 1047 V HN 0.989 nan 8.190 nan 0.000 0.473 1048 E N 3.587 123.694 120.200 -0.155 0.000 2.228 1048 E HA 0.343 4.693 4.350 -0.000 0.000 0.197 1048 E C -0.160 176.383 176.600 -0.095 0.000 0.909 1048 E CA 0.249 56.587 56.400 -0.103 0.000 0.911 1048 E CB 0.667 30.324 29.700 -0.071 0.000 0.887 1048 E HN 0.593 nan 8.360 nan 0.000 0.481 1049 I N 2.645 123.134 120.570 -0.134 0.000 2.410 1049 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 1049 I C -2.589 173.419 176.117 -0.182 0.000 1.009 1049 I CA -2.603 58.567 61.300 -0.218 0.000 1.111 1049 I CB 1.858 39.525 38.000 -0.555 0.000 1.262 1049 I HN -0.228 nan 8.210 nan 0.000 0.443 1050 P HA 0.111 nan 4.420 nan 0.000 0.271 1050 P C -0.429 176.788 177.300 -0.139 0.000 1.218 1050 P CA -0.488 62.551 63.100 -0.102 0.000 0.780 1050 P CB 0.541 32.224 31.700 -0.028 0.000 0.901 1051 R N 2.793 123.158 120.500 -0.225 0.000 2.583 1051 R HA -0.085 4.254 4.340 -0.000 0.000 0.274 1051 R C -0.035 176.112 176.300 -0.256 0.000 0.998 1051 R CA 0.424 56.279 56.100 -0.409 0.000 1.081 1051 R CB -0.252 29.595 30.300 -0.754 0.000 0.940 1051 R HN 0.544 nan 8.270 nan 0.000 0.413 1052 W N 0.560 121.778 121.300 -0.135 0.000 2.560 1052 W HA -0.256 4.404 4.660 -0.000 0.000 0.279 1052 W C 0.038 176.353 176.519 -0.340 0.000 1.090 1052 W CA 1.027 58.205 57.345 -0.278 0.000 0.535 1052 W CB -2.861 26.443 29.460 -0.261 0.000 2.121 1052 W HN 0.712 nan 8.180 nan 0.000 1.314 1053 T N -2.177 112.402 114.554 0.043 0.000 2.936 1053 T HA 0.639 4.989 4.350 -0.000 0.000 0.282 1053 T C 0.850 175.666 174.700 0.192 0.000 1.003 1053 T CA 0.227 62.365 62.100 0.065 0.000 1.005 1053 T CB 1.939 70.840 68.868 0.054 0.000 1.097 1053 T HN -0.061 nan 8.240 nan 0.000 0.532 1054 N N -0.402 118.455 118.700 0.262 0.000 2.317 1054 N HA 0.351 5.091 4.740 -0.000 0.000 0.199 1054 N C 0.387 176.185 175.510 0.481 0.000 1.145 1054 N CA -0.061 53.239 53.050 0.415 0.000 0.882 1054 N CB 0.347 39.062 38.487 0.380 0.000 1.113 1054 N HN 0.900 nan 8.380 nan 0.000 0.486 1055 A N 1.152 124.190 122.820 0.365 0.000 2.524 1055 A HA 0.068 4.388 4.320 -0.000 0.000 0.250 1055 A C 0.432 178.005 177.584 -0.019 0.000 1.078 1055 A CA 0.193 52.253 52.037 0.039 0.000 0.761 1055 A CB 0.187 19.156 19.000 -0.052 0.000 1.012 1055 A HN -0.053 nan 8.150 nan 0.000 0.500 1056 K N 3.994 124.352 120.400 -0.069 0.000 2.155 1056 K HA 0.252 4.572 4.320 -0.000 0.000 0.240 1056 K C -0.713 175.854 176.600 -0.056 0.000 1.193 1056 K CA 0.282 56.566 56.287 -0.005 0.000 1.104 1056 K CB -0.765 31.764 32.500 0.049 0.000 1.558 1056 K HN 0.684 nan 8.250 nan 0.000 0.313 1057 L N 3.127 124.308 121.223 -0.069 0.000 2.375 1057 L HA 0.351 4.691 4.340 -0.000 0.000 0.271 1057 L C 0.479 177.330 176.870 -0.032 0.000 1.107 1057 L CA -0.350 54.471 54.840 -0.032 0.000 0.806 1057 L CB 0.941 43.002 42.059 0.004 0.000 1.146 1057 L HN 0.488 nan 8.230 nan 0.000 0.447 1058 E N 1.944 122.125 120.200 -0.032 0.000 2.390 1058 E HA 0.417 4.767 4.350 -0.000 0.000 0.280 1058 E C -1.160 175.394 176.600 -0.077 0.000 0.992 1058 E CA -0.932 55.443 56.400 -0.041 0.000 0.790 1058 E CB 1.627 31.321 29.700 -0.010 0.000 1.248 1058 E HN 0.353 nan 8.360 nan 0.000 0.447 1059 I N 1.942 122.444 120.570 -0.114 0.000 2.662 1059 I HA 0.003 4.173 4.170 -0.000 0.000 0.285 1059 I C 0.432 176.494 176.117 -0.090 0.000 1.161 1059 I CA 0.573 61.790 61.300 -0.139 0.000 1.415 1059 I CB 0.699 38.566 38.000 -0.223 0.000 1.385 1059 I HN 0.525 nan 8.210 nan 0.000 0.552 1060 T N 6.526 121.044 114.554 -0.059 0.000 2.794 1060 T HA 0.164 4.514 4.350 -0.000 0.000 0.296 1060 T C 1.091 175.835 174.700 0.073 0.000 0.949 1060 T CA -0.373 61.725 62.100 -0.004 0.000 1.101 1060 T CB 0.512 69.366 68.868 -0.022 0.000 0.905 1060 T HN 0.581 nan 8.240 nan 0.000 0.516 1061 K N 3.094 123.565 120.400 0.119 0.000 2.296 1061 K HA 0.038 4.358 4.320 -0.000 0.000 0.200 1061 K C 2.360 179.053 176.600 0.155 0.000 1.048 1061 K CA 1.074 57.490 56.287 0.216 0.000 0.966 1061 K CB 0.197 32.846 32.500 0.248 0.000 0.754 1061 K HN 0.746 nan 8.250 nan 0.000 0.466 1062 E N 1.874 122.136 120.200 0.103 0.000 2.442 1062 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 1062 E C 0.136 176.777 176.600 0.069 0.000 1.030 1062 E CA 0.467 56.915 56.400 0.080 0.000 0.869 1062 E CB -0.097 29.640 29.700 0.062 0.000 0.857 1062 E HN 0.415 nan 8.360 nan 0.000 0.505 1063 E N -0.106 120.135 120.200 0.069 0.000 2.221 1063 E HA 0.386 4.736 4.350 -0.000 0.000 0.268 1063 E C -0.762 175.895 176.600 0.096 0.000 0.933 1063 E CA -0.815 55.627 56.400 0.069 0.000 0.809 1063 E CB 1.875 31.602 29.700 0.044 0.000 1.190 1063 E HN 0.137 nan 8.360 nan 0.000 0.406 1064 T N 2.883 117.503 114.554 0.109 0.000 2.867 1064 T HA 0.081 4.431 4.350 -0.000 0.000 0.297 1064 T C 1.002 175.815 174.700 0.188 0.000 0.989 1064 T CA 0.222 62.398 62.100 0.127 0.000 1.159 1064 T CB -0.062 68.863 68.868 0.096 0.000 0.928 1064 T HN 0.528 nan 8.240 nan 0.000 0.538 1065 L N 1.510 122.840 121.223 0.179 0.000 4.950 1065 L HA -0.253 4.087 4.340 -0.000 0.000 0.413 1065 L C 0.437 177.394 176.870 0.145 0.000 1.020 1065 L CA 0.127 55.090 54.840 0.205 0.000 1.239 1065 L CB -2.214 40.012 42.059 0.277 0.000 2.004 1065 L HN 0.874 nan 8.230 nan 0.000 0.658 1066 N N -1.639 117.122 118.700 0.102 0.000 2.689 1066 N HA -0.138 4.601 4.740 -0.000 0.000 0.263 1066 N C -2.034 173.415 175.510 -0.101 0.000 0.987 1066 N CA 0.744 53.814 53.050 0.034 0.000 0.782 1066 N CB -0.730 37.817 38.487 0.100 0.000 0.903 1066 N HN 0.474 nan 8.380 nan 0.000 0.547 1067 P HA 0.035 nan 4.420 nan 0.000 0.271 1067 P C 0.271 177.371 177.300 -0.333 0.000 1.233 1067 P CA 0.011 62.785 63.100 -0.543 0.000 0.789 1067 P CB 0.869 31.833 31.700 -1.226 0.000 0.951 1068 I N 2.493 122.874 120.570 -0.314 0.000 2.396 1068 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 1068 I C 0.865 176.850 176.117 -0.219 0.000 1.056 1068 I CA -0.140 61.035 61.300 -0.208 0.000 1.365 1068 I CB -0.100 37.804 38.000 -0.160 0.000 1.407 1068 I HN 0.286 nan 8.210 nan 0.000 0.509 1069 I N 2.935 123.431 120.570 -0.122 0.000 3.074 1069 I HA 0.492 4.662 4.170 -0.000 0.000 0.310 1069 I C -0.816 175.305 176.117 0.007 0.000 1.153 1069 I CA -1.041 60.223 61.300 -0.060 0.000 0.993 1069 I CB 1.967 39.925 38.000 -0.070 0.000 1.237 1069 I HN 0.488 nan 8.210 nan 0.000 0.443 1070 Q N 2.351 122.182 119.800 0.053 0.000 2.288 1070 Q HA 0.152 4.492 4.340 -0.000 0.000 0.254 1070 Q C -0.667 175.309 176.000 -0.040 0.000 0.932 1070 Q CA -0.306 55.488 55.803 -0.016 0.000 0.902 1070 Q CB 1.049 29.748 28.738 -0.066 0.000 1.203 1070 Q HN 0.675 nan 8.270 nan 0.000 0.415 1071 D N 1.276 121.642 120.400 -0.056 0.000 2.357 1071 D HA 0.125 4.765 4.640 -0.000 0.000 0.242 1071 D C -0.692 175.573 176.300 -0.059 0.000 1.153 1071 D CA 0.229 54.207 54.000 -0.038 0.000 0.918 1071 D CB 0.905 41.694 40.800 -0.019 0.000 1.181 1071 D HN 0.612 nan 8.370 nan 0.000 0.435 1072 T N -0.906 113.630 114.554 -0.029 0.000 2.942 1072 T HA 0.638 4.988 4.350 -0.000 0.000 0.289 1072 T C -0.479 174.216 174.700 -0.009 0.000 1.044 1072 T CA -1.024 61.062 62.100 -0.023 0.000 1.023 1072 T CB 1.701 70.567 68.868 -0.003 0.000 1.123 1072 T HN 0.332 nan 8.240 nan 0.000 0.512 1073 K N 0.666 121.068 120.400 0.003 0.000 2.652 1073 K HA 0.331 4.650 4.320 -0.000 0.000 0.249 1073 K C -0.919 175.695 176.600 0.023 0.000 0.986 1073 K CA -0.705 55.589 56.287 0.013 0.000 0.867 1073 K CB 0.655 33.165 32.500 0.017 0.000 1.201 1073 K HN 0.795 nan 8.250 nan 0.000 0.450 1074 K N 2.463 122.875 120.400 0.019 0.000 3.148 1074 K HA -0.261 4.058 4.320 -0.000 0.000 0.267 1074 K C 0.550 177.166 176.600 0.027 0.000 0.996 1074 K CA 0.797 57.097 56.287 0.022 0.000 0.737 1074 K CB -1.584 30.930 32.500 0.024 0.000 1.308 1074 K HN 1.174 nan 8.250 nan 0.000 0.470 1075 G N -0.318 108.497 108.800 0.025 0.000 2.234 1075 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.260 1075 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.260 1075 G C 0.065 174.985 174.900 0.033 0.000 0.987 1075 G CA 1.101 46.217 45.100 0.027 0.000 0.625 1075 G HN 0.512 nan 8.290 nan 0.000 0.532 1076 K N -0.017 120.407 120.400 0.039 0.000 2.313 1076 K HA 0.815 5.135 4.320 -0.000 0.000 0.235 1076 K C 0.207 176.827 176.600 0.033 0.000 1.035 1076 K CA -1.287 55.032 56.287 0.054 0.000 0.868 1076 K CB 1.551 34.101 32.500 0.083 0.000 1.232 1076 K HN 0.127 nan 8.250 nan 0.000 0.459 1077 L N 1.388 122.630 121.223 0.032 0.000 2.456 1077 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 1077 L C 0.460 177.227 176.870 -0.172 0.000 1.189 1077 L CA -0.209 54.561 54.840 -0.116 0.000 0.846 1077 L CB 0.097 42.030 42.059 -0.211 0.000 1.111 1077 L HN 0.591 nan 8.230 nan 0.000 0.475 1078 K N 2.848 123.084 120.400 -0.274 0.000 2.227 1078 K HA 0.479 4.799 4.320 -0.000 0.000 0.280 1078 K C -1.411 174.985 176.600 -0.340 0.000 1.041 1078 K CA -0.343 55.843 56.287 -0.169 0.000 0.905 1078 K CB 0.612 33.066 32.500 -0.077 0.000 1.068 1078 K HN 0.256 nan 8.250 nan 0.000 0.470 1079 F N 2.506 122.497 119.950 0.069 0.000 2.551 1079 F HA 0.316 4.843 4.527 -0.000 0.000 0.316 1079 F C -0.192 175.667 175.800 0.098 0.000 1.089 1079 F CA -1.031 57.027 58.000 0.098 0.000 0.915 1079 F CB 1.788 40.840 39.000 0.087 0.000 1.186 1079 F HN 0.076 nan 8.300 nan 0.000 0.456 1080 V N 3.916 124.040 119.914 0.350 0.000 2.583 1080 V HA 0.381 4.501 4.120 -0.000 0.000 0.287 1080 V C 0.249 176.451 176.094 0.181 0.000 1.051 1080 V CA -0.857 61.573 62.300 0.217 0.000 1.010 1080 V CB 0.844 32.809 31.823 0.236 0.000 0.988 1080 V HN 0.541 nan 8.190 nan 0.000 0.478 1081 R N 2.933 123.459 120.500 0.043 0.000 2.560 1081 R HA 0.289 4.629 4.340 -0.000 0.000 0.270 1081 R C -0.139 176.255 176.300 0.156 0.000 1.074 1081 R CA -0.638 55.503 56.100 0.068 0.000 1.140 1081 R CB 0.036 30.212 30.300 -0.206 0.000 1.073 1081 R HN 0.595 nan 8.270 nan 0.000 0.527 1082 N N 0.734 119.620 118.700 0.310 0.000 2.442 1082 N HA 0.064 4.804 4.740 -0.000 0.000 0.265 1082 N C -0.670 175.155 175.510 0.525 0.000 1.138 1082 N CA 0.141 53.426 53.050 0.391 0.000 0.956 1082 N CB 0.599 39.240 38.487 0.256 0.000 1.067 1082 N HN 0.353 nan 8.380 nan 0.000 0.474 1083 C N 3.811 123.352 119.300 0.401 0.000 2.264 1083 C HA 0.275 4.735 4.460 -0.000 0.000 0.322 1083 C C 0.618 175.690 174.990 0.136 0.000 1.210 1083 C CA -1.182 57.977 59.018 0.235 0.000 1.539 1083 C CB -1.358 26.405 27.740 0.039 0.000 2.167 1083 C HN 0.647 nan 8.230 nan 0.000 0.463 1084 F N 7.028 126.681 119.950 -0.494 0.000 2.635 1084 F HA 0.142 4.669 4.527 -0.000 0.000 0.379 1084 F C -0.958 174.457 175.800 -0.642 0.000 1.094 1084 F CA -0.773 56.599 58.000 -1.046 0.000 1.300 1084 F CB 0.875 38.660 39.000 -2.026 0.000 1.035 1084 F HN 0.480 nan 8.300 nan 0.000 0.581 1085 P HA 0.034 nan 4.420 nan 0.000 0.254 1085 P C -0.841 176.190 177.300 -0.448 0.000 1.494 1085 P CA 0.239 62.340 63.100 -1.664 0.000 0.961 1085 P CB -0.097 30.657 31.700 -1.577 0.000 1.493 1086 H N 0.120 119.295 119.070 0.176 0.000 2.482 1086 H HA 0.265 4.821 4.556 -0.000 0.000 0.344 1086 H C -0.249 175.373 175.328 0.490 0.000 1.151 1086 H CA -0.167 56.093 56.048 0.354 0.000 1.300 1086 H CB 1.080 31.080 29.762 0.397 0.000 1.494 1086 H HN 0.227 nan 8.280 nan 0.000 0.542 1087 H N 0.759 120.044 119.070 0.359 0.000 2.685 1087 H HA 0.337 4.893 4.556 -0.000 0.000 0.307 1087 H C 0.750 176.272 175.328 0.323 0.000 1.017 1087 H CA -0.022 56.121 56.048 0.159 0.000 1.237 1087 H CB 0.245 29.936 29.762 -0.119 0.000 1.409 1087 H HN 0.987 nan 8.280 nan 0.000 0.488 1088 G N 3.278 112.301 108.800 0.372 0.000 2.582 1088 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.288 1088 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.288 1088 G C -0.778 174.312 174.900 0.316 0.000 1.247 1088 G CA 0.274 45.556 45.100 0.304 0.000 0.972 1088 G HN 0.640 nan 8.290 nan 0.000 0.557 1089 Y N 0.865 121.171 120.300 0.011 0.000 2.359 1089 Y HA 0.424 4.974 4.550 -0.000 0.000 0.330 1089 Y C 1.846 177.402 175.900 -0.575 0.000 1.143 1089 Y CA 0.449 58.268 58.100 -0.469 0.000 1.318 1089 Y CB 0.864 39.073 38.460 -0.419 0.000 1.234 1089 Y HN 0.606 nan 8.280 nan 0.000 0.522 1090 I N -0.362 119.649 120.570 -0.932 0.000 3.861 1090 I HA 0.318 4.488 4.170 -0.000 0.000 0.329 1090 I C -0.709 174.813 176.117 -0.992 0.000 1.321 1090 I CA 0.049 60.845 61.300 -0.841 0.000 1.126 1090 I CB -0.287 37.222 38.000 -0.818 0.000 1.018 1090 I HN 0.527 nan 8.210 nan 0.000 0.407 1091 H N -0.698 118.109 119.070 -0.437 0.000 2.980 1091 H HA 0.449 5.005 4.556 -0.000 0.000 0.367 1091 H C -0.776 174.396 175.328 -0.261 0.000 1.206 1091 H CA -0.982 54.869 56.048 -0.327 0.000 1.126 1091 H CB 0.601 30.239 29.762 -0.206 0.000 1.838 1091 H HN -0.040 nan 8.280 nan 0.000 0.552 1092 N N 1.500 120.126 118.700 -0.122 0.000 2.405 1092 N HA 0.013 4.753 4.740 -0.000 0.000 0.260 1092 N C -1.174 174.277 175.510 -0.099 0.000 1.152 1092 N CA 0.133 53.095 53.050 -0.147 0.000 0.948 1092 N CB 0.165 38.546 38.487 -0.177 0.000 1.111 1092 N HN 0.452 nan 8.380 nan 0.000 0.485 1093 Y N 1.526 121.687 120.300 -0.231 0.000 2.330 1093 Y HA 0.586 5.135 4.550 -0.000 0.000 0.336 1093 Y C 0.711 176.456 175.900 -0.258 0.000 1.036 1093 Y CA -0.045 57.917 58.100 -0.229 0.000 1.125 1093 Y CB 0.849 39.157 38.460 -0.254 0.000 1.194 1093 Y HN 0.559 nan 8.280 nan 0.000 0.469 1094 G N 2.153 110.518 108.800 -0.725 0.000 2.677 1094 G HA2 0.731 4.691 3.960 -0.000 0.000 0.283 1094 G HA3 0.731 4.691 3.960 -0.000 0.000 0.283 1094 G C -1.959 172.551 174.900 -0.650 0.000 1.221 1094 G CA -0.340 44.441 45.100 -0.532 0.000 0.851 1094 G HN 0.981 nan 8.290 nan 0.000 0.504 1095 A N -1.405 121.118 122.820 -0.496 0.000 2.609 1095 A HA 0.747 5.067 4.320 -0.000 0.000 0.291 1095 A C -2.030 175.327 177.584 -0.378 0.000 1.096 1095 A CA -0.588 51.160 52.037 -0.481 0.000 0.684 1095 A CB 1.218 20.011 19.000 -0.346 0.000 1.282 1095 A HN 0.707 nan 8.150 nan 0.000 0.412 1096 F N 1.887 121.658 119.950 -0.298 0.000 2.410 1096 F HA 0.496 5.023 4.527 -0.000 0.000 0.349 1096 F C -1.715 173.927 175.800 -0.263 0.000 1.117 1096 F CA -2.464 55.360 58.000 -0.294 0.000 1.104 1096 F CB 1.229 40.017 39.000 -0.353 0.000 1.122 1096 F HN 0.287 nan 8.300 nan 0.000 0.483 1097 P HA 0.013 nan 4.420 nan 0.000 0.272 1097 P C -0.817 176.325 177.300 -0.263 0.000 1.240 1097 P CA 0.032 63.044 63.100 -0.146 0.000 0.791 1097 P CB 0.657 32.260 31.700 -0.160 0.000 0.978 1098 Q N -2.582 116.910 119.800 -0.514 0.000 2.487 1098 Q HA -0.142 4.198 4.340 -0.000 0.000 0.279 1098 Q C -0.074 175.696 176.000 -0.384 0.000 1.228 1098 Q CA 1.020 55.993 55.803 -1.383 0.000 0.873 1098 Q CB -2.625 25.345 28.738 -1.281 0.000 1.260 1098 Q HN 0.810 nan 8.270 nan 0.000 0.471 1099 T N -3.650 110.945 114.554 0.067 0.000 2.883 1099 T HA 0.742 5.091 4.350 -0.000 0.000 0.296 1099 T C -1.473 173.612 174.700 0.643 0.000 1.117 1099 T CA -0.797 61.528 62.100 0.374 0.000 1.006 1099 T CB 2.464 71.460 68.868 0.212 0.000 1.191 1099 T HN 0.330 nan 8.240 nan 0.000 0.508 1100 W N 1.070 122.592 121.300 0.370 0.000 3.800 1100 W HA 0.440 5.100 4.660 -0.000 0.000 0.299 1100 W C -1.588 175.103 176.519 0.287 0.000 1.231 1100 W CA -0.725 56.841 57.345 0.368 0.000 1.232 1100 W CB 1.547 31.284 29.460 0.462 0.000 1.291 1100 W HN 0.712 nan 8.180 nan 0.000 0.514 1101 E N 3.815 124.042 120.200 0.046 0.000 1.941 1101 E HA 0.029 4.379 4.350 -0.000 0.000 0.275 1101 E C -0.313 176.000 176.600 -0.479 0.000 1.113 1101 E CA -0.180 56.200 56.400 -0.034 0.000 0.878 1101 E CB 0.684 30.374 29.700 -0.017 0.000 1.070 1101 E HN 0.298 nan 8.360 nan 0.000 0.399 1102 D N 4.617 124.769 120.400 -0.413 0.000 2.502 1102 D HA -0.057 4.583 4.640 -0.000 0.000 0.249 1102 D C -1.439 174.637 176.300 -0.373 0.000 1.188 1102 D CA -1.335 52.223 54.000 -0.735 0.000 0.890 1102 D CB 0.912 41.544 40.800 -0.280 0.000 1.140 1102 D HN 0.159 nan 8.370 nan 0.000 0.505 1103 P HA 0.016 nan 4.420 nan 0.000 0.251 1103 P C 0.449 177.701 177.300 -0.081 0.000 1.223 1103 P CA 0.118 63.099 63.100 -0.198 0.000 0.796 1103 P CB 0.567 32.187 31.700 -0.133 0.000 1.068 1104 N N 0.309 118.962 118.700 -0.079 0.000 2.415 1104 N HA 0.032 4.772 4.740 -0.000 0.000 0.176 1104 N C 0.916 176.435 175.510 0.014 0.000 1.042 1104 N CA 0.618 53.667 53.050 -0.000 0.000 0.902 1104 N CB 0.481 38.991 38.487 0.039 0.000 0.986 1104 N HN 0.197 nan 8.380 nan 0.000 0.447 1105 V N -2.513 117.414 119.914 0.023 0.000 2.914 1105 V HA 0.539 4.659 4.120 -0.000 0.000 0.314 1105 V C 0.088 176.261 176.094 0.131 0.000 1.084 1105 V CA -1.074 61.252 62.300 0.042 0.000 0.963 1105 V CB 1.972 33.794 31.823 -0.003 0.000 1.025 1105 V HN -0.109 nan 8.190 nan 0.000 0.432 1106 S N 1.481 117.247 115.700 0.110 0.000 2.523 1106 S HA 0.439 4.909 4.470 -0.000 0.000 0.275 1106 S C -0.366 174.372 174.600 0.229 0.000 1.281 1106 S CA -0.283 58.012 58.200 0.159 0.000 1.050 1106 S CB -0.366 62.876 63.200 0.069 0.000 0.937 1106 S HN 0.893 nan 8.310 nan 0.000 0.492 1107 H N 6.096 125.176 119.070 0.018 0.000 2.690 1107 H HA 0.248 4.803 4.556 -0.000 0.000 0.314 1107 H C -1.283 174.089 175.328 0.073 0.000 1.069 1107 H CA -1.808 54.284 56.048 0.073 0.000 1.436 1107 H CB 0.608 30.444 29.762 0.123 0.000 1.462 1107 H HN 0.460 nan 8.280 nan 0.000 0.511 1108 P HA -0.170 nan 4.420 nan 0.000 0.215 1108 P C 0.540 177.939 177.300 0.164 0.000 1.153 1108 P CA 1.190 64.374 63.100 0.140 0.000 0.853 1108 P CB 0.597 32.367 31.700 0.117 0.000 0.788 1109 E N -0.050 120.314 120.200 0.272 0.000 2.153 1109 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1109 E C 1.920 178.536 176.600 0.027 0.000 0.988 1109 E CA 2.082 58.675 56.400 0.322 0.000 0.811 1109 E CB -1.200 28.945 29.700 0.742 0.000 0.746 1109 E HN 0.458 nan 8.360 nan 0.000 0.466 1110 T N -4.411 110.138 114.554 -0.008 0.000 2.985 1110 T HA 0.322 4.672 4.350 -0.000 0.000 0.254 1110 T C 1.130 175.757 174.700 -0.122 0.000 1.021 1110 T CA 0.361 62.350 62.100 -0.184 0.000 0.957 1110 T CB 0.018 68.696 68.868 -0.316 0.000 1.047 1110 T HN 0.173 nan 8.240 nan 0.000 0.511 1111 K N -0.122 120.260 120.400 -0.030 0.000 3.069 1111 K HA 0.168 4.488 4.320 -0.000 0.000 0.267 1111 K C 0.267 176.841 176.600 -0.042 0.000 1.082 1111 K CA 1.271 57.546 56.287 -0.020 0.000 0.782 1111 K CB -2.700 29.777 32.500 -0.038 0.000 1.230 1111 K HN 1.833 nan 8.250 nan 0.000 0.488 1112 A N -1.121 121.665 122.820 -0.056 0.000 2.587 1112 A HA 0.878 5.198 4.320 -0.000 0.000 0.293 1112 A C 0.381 177.890 177.584 -0.125 0.000 1.087 1112 A CA -0.090 51.888 52.037 -0.099 0.000 0.692 1112 A CB 1.405 20.308 19.000 -0.163 0.000 1.291 1112 A HN 1.732 nan 8.150 nan 0.000 0.407 1113 V N 0.110 119.952 119.914 -0.119 0.000 2.924 1113 V HA 0.687 4.807 4.120 -0.000 0.000 0.305 1113 V C 0.891 176.772 176.094 -0.356 0.000 1.073 1113 V CA 0.093 62.314 62.300 -0.132 0.000 1.098 1113 V CB 0.459 32.242 31.823 -0.067 0.000 1.000 1113 V HN 1.606 nan 8.190 nan 0.000 0.484 1114 G N 1.848 110.370 108.800 -0.464 0.000 2.636 1114 G HA2 0.204 4.164 3.960 -0.000 0.000 0.246 1114 G HA3 0.204 4.164 3.960 -0.000 0.000 0.246 1114 G C 0.493 175.243 174.900 -0.249 0.000 1.216 1114 G CA 0.324 45.145 45.100 -0.466 0.000 0.854 1114 G HN 1.129 nan 8.290 nan 0.000 0.572 1115 D N -0.781 119.510 120.400 -0.182 0.000 2.324 1115 D HA -0.059 4.581 4.640 -0.000 0.000 0.235 1115 D C 1.022 177.303 176.300 -0.031 0.000 1.095 1115 D CA -0.066 53.878 54.000 -0.093 0.000 0.871 1115 D CB -0.266 40.498 40.800 -0.061 0.000 0.906 1115 D HN 0.420 nan 8.370 nan 0.000 0.522 1116 N N -0.204 118.440 118.700 -0.094 0.000 2.909 1116 N HA -0.162 4.578 4.740 -0.000 0.000 0.242 1116 N C -1.297 174.423 175.510 0.350 0.000 0.975 1116 N CA 1.218 54.305 53.050 0.061 0.000 0.921 1116 N CB -0.911 37.685 38.487 0.183 0.000 1.112 1116 N HN 0.293 nan 8.380 nan 0.000 0.581 1117 D N -0.910 119.611 120.400 0.200 0.000 2.374 1117 D HA 0.497 5.137 4.640 -0.000 0.000 0.239 1117 D C -2.371 174.043 176.300 0.189 0.000 0.991 1117 D CA -1.449 52.670 54.000 0.198 0.000 0.960 1117 D CB 1.060 41.898 40.800 0.063 0.000 1.284 1117 D HN -0.044 nan 8.370 nan 0.000 0.512 1118 P HA 0.088 nan 4.420 nan 0.000 0.269 1118 P C 0.123 177.415 177.300 -0.013 0.000 1.217 1118 P CA -0.166 62.919 63.100 -0.024 0.000 0.783 1118 P CB 0.648 32.143 31.700 -0.342 0.000 0.898 1119 I N 2.163 122.747 120.570 0.024 0.000 2.752 1119 I HA -0.021 4.148 4.170 -0.000 0.000 0.287 1119 I C 0.157 176.146 176.117 -0.213 0.000 1.188 1119 I CA 0.218 61.502 61.300 -0.027 0.000 1.427 1119 I CB 0.310 38.322 38.000 0.020 0.000 1.365 1119 I HN 0.263 nan 8.210 nan 0.000 0.585 1120 D N 6.742 126.999 120.400 -0.239 0.000 2.264 1120 D HA 0.368 5.008 4.640 -0.000 0.000 0.249 1120 D C -0.642 175.300 176.300 -0.597 0.000 1.070 1120 D CA -0.079 53.654 54.000 -0.444 0.000 0.912 1120 D CB 1.926 42.517 40.800 -0.349 0.000 1.193 1120 D HN 0.145 nan 8.370 nan 0.000 0.427 1121 V N 1.823 121.259 119.914 -0.798 0.000 2.638 1121 V HA 0.338 4.458 4.120 -0.000 0.000 0.306 1121 V C -0.179 175.517 176.094 -0.663 0.000 1.052 1121 V CA -0.839 60.989 62.300 -0.786 0.000 0.885 1121 V CB 1.909 33.104 31.823 -1.047 0.000 0.999 1121 V HN 0.317 nan 8.190 nan 0.000 0.424 1122 L N 3.798 124.722 121.223 -0.500 0.000 2.295 1122 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 1122 L C 0.065 176.736 176.870 -0.332 0.000 1.018 1122 L CA -0.259 54.326 54.840 -0.425 0.000 0.841 1122 L CB 1.387 43.085 42.059 -0.601 0.000 1.218 1122 L HN 0.586 nan 8.230 nan 0.000 0.424 1123 E N 4.889 124.933 120.200 -0.260 0.000 2.081 1123 E HA 0.157 4.507 4.350 -0.000 0.000 0.281 1123 E C 0.478 176.961 176.600 -0.194 0.000 0.986 1123 E CA -0.376 55.897 56.400 -0.212 0.000 0.796 1123 E CB 1.534 31.119 29.700 -0.193 0.000 1.085 1123 E HN 0.707 nan 8.360 nan 0.000 0.398 1124 I N 1.679 122.109 120.570 -0.233 0.000 3.810 1124 I HA 0.353 4.523 4.170 -0.000 0.000 0.322 1124 I C 0.797 176.704 176.117 -0.349 0.000 1.288 1124 I CA -0.571 60.527 61.300 -0.336 0.000 1.143 1124 I CB 0.137 37.813 38.000 -0.540 0.000 1.012 1124 I HN 0.248 nan 8.210 nan 0.000 0.423 1125 G N 1.939 110.629 108.800 -0.184 0.000 2.634 1125 G HA2 0.103 4.062 3.960 -0.000 0.000 0.255 1125 G HA3 0.103 4.062 3.960 -0.000 0.000 0.255 1125 G C 0.795 175.663 174.900 -0.054 0.000 1.205 1125 G CA 0.155 45.214 45.100 -0.070 0.000 0.884 1125 G HN 0.626 nan 8.290 nan 0.000 0.549 1126 E N -0.936 119.282 120.200 0.029 0.000 2.106 1126 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 1126 E C 0.612 177.208 176.600 -0.008 0.000 0.984 1126 E CA 0.901 57.321 56.400 0.034 0.000 0.806 1126 E CB -0.317 29.433 29.700 0.084 0.000 0.750 1126 E HN 0.259 nan 8.360 nan 0.000 0.458 1127 T N 2.053 116.602 114.554 -0.008 0.000 2.851 1127 T HA 0.277 4.626 4.350 -0.000 0.000 0.298 1127 T C 0.319 174.990 174.700 -0.048 0.000 0.977 1127 T CA -0.364 61.734 62.100 -0.003 0.000 1.126 1127 T CB 0.817 69.697 68.868 0.020 0.000 0.916 1127 T HN 0.088 nan 8.240 nan 0.000 0.529 1128 I N 2.897 123.447 120.570 -0.033 0.000 2.496 1128 I HA 0.323 4.492 4.170 -0.000 0.000 0.285 1128 I C 1.005 177.117 176.117 -0.008 0.000 1.080 1128 I CA -0.436 60.826 61.300 -0.062 0.000 1.404 1128 I CB 0.585 38.579 38.000 -0.010 0.000 1.403 1128 I HN 0.678 nan 8.210 nan 0.000 0.539 1129 A N 6.834 129.623 122.820 -0.051 0.000 2.259 1129 A HA 0.564 4.884 4.320 -0.000 0.000 0.278 1129 A C -0.813 176.795 177.584 0.039 0.000 1.107 1129 A CA -0.182 51.827 52.037 -0.048 0.000 0.828 1129 A CB 0.458 19.364 19.000 -0.156 0.000 1.111 1129 A HN 0.680 nan 8.150 nan 0.000 0.498 1130 Y N -2.219 118.067 120.300 -0.024 0.000 2.485 1130 Y HA 0.646 5.196 4.550 -0.000 0.000 0.345 1130 Y C 0.092 175.987 175.900 -0.008 0.000 0.998 1130 Y CA -1.000 57.097 58.100 -0.004 0.000 1.059 1130 Y CB 0.358 38.827 38.460 0.015 0.000 1.234 1130 Y HN 0.454 nan 8.280 nan 0.000 0.461 1131 T N 3.048 117.693 114.554 0.151 0.000 2.871 1131 T HA 0.363 4.713 4.350 -0.000 0.000 0.296 1131 T C 1.148 175.900 174.700 0.088 0.000 0.998 1131 T CA 1.623 63.768 62.100 0.075 0.000 1.162 1131 T CB -0.009 68.953 68.868 0.157 0.000 0.947 1131 T HN 1.452 nan 8.240 nan 0.000 0.536 1132 G N 2.769 111.538 108.800 -0.053 0.000 2.195 1132 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 1132 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 1132 G C 0.143 174.966 174.900 -0.128 0.000 0.984 1132 G CA 0.193 45.266 45.100 -0.044 0.000 0.633 1132 G HN 0.829 nan 8.290 nan 0.000 0.525 1133 Q N 0.468 120.004 119.800 -0.440 0.000 2.361 1133 Q HA 0.451 4.791 4.340 -0.000 0.000 0.276 1133 Q C -0.266 175.525 176.000 -0.348 0.000 1.022 1133 Q CA 0.007 55.391 55.803 -0.698 0.000 0.898 1133 Q CB 0.832 28.741 28.738 -1.381 0.000 1.246 1133 Q HN 0.294 nan 8.270 nan 0.000 0.410 1134 V N 5.699 125.485 119.914 -0.212 0.000 2.313 1134 V HA 0.296 4.416 4.120 -0.000 0.000 0.278 1134 V C -0.465 175.573 176.094 -0.092 0.000 1.017 1134 V CA -0.520 61.670 62.300 -0.182 0.000 0.823 1134 V CB 0.976 32.638 31.823 -0.267 0.000 1.010 1134 V HN 0.783 nan 8.190 nan 0.000 0.443 1135 K N 3.510 123.851 120.400 -0.098 0.000 2.221 1135 K HA 0.836 5.155 4.320 -0.000 0.000 0.243 1135 K C -1.000 175.600 176.600 -0.001 0.000 0.968 1135 K CA -1.105 55.155 56.287 -0.045 0.000 0.846 1135 K CB 1.896 34.350 32.500 -0.076 0.000 1.141 1135 K HN 0.289 nan 8.250 nan 0.000 0.434 1136 Q N 1.164 120.976 119.800 0.021 0.000 2.278 1136 Q HA 0.365 4.705 4.340 -0.000 0.000 0.257 1136 Q C -0.610 175.420 176.000 0.051 0.000 0.928 1136 Q CA -0.687 55.139 55.803 0.038 0.000 0.932 1136 Q CB 1.825 30.579 28.738 0.027 0.000 1.221 1136 Q HN 0.573 nan 8.270 nan 0.000 0.434 1137 V N -1.133 118.842 119.914 0.103 0.000 3.001 1137 V HA 0.685 4.805 4.120 -0.000 0.000 0.314 1137 V C -0.827 175.371 176.094 0.173 0.000 1.099 1137 V CA -1.179 61.195 62.300 0.124 0.000 0.989 1137 V CB 2.323 34.233 31.823 0.145 0.000 1.040 1137 V HN 0.595 nan 8.190 nan 0.000 0.434 1138 K N 1.942 122.425 120.400 0.137 0.000 2.159 1138 K HA 0.804 5.124 4.320 -0.000 0.000 0.266 1138 K C -0.190 176.520 176.600 0.182 0.000 0.975 1138 K CA -0.245 56.132 56.287 0.150 0.000 0.865 1138 K CB 1.974 34.525 32.500 0.085 0.000 1.087 1138 K HN 1.107 nan 8.250 nan 0.000 0.446 1139 A N 3.537 126.506 122.820 0.248 0.000 2.366 1139 A HA 0.300 4.620 4.320 -0.000 0.000 0.272 1139 A C 0.516 178.166 177.584 0.110 0.000 1.135 1139 A CA -0.336 51.807 52.037 0.177 0.000 0.804 1139 A CB 0.049 19.176 19.000 0.212 0.000 1.064 1139 A HN 0.852 nan 8.150 nan 0.000 0.499 1140 L N 1.969 123.230 121.223 0.063 0.000 2.577 1140 L HA 0.429 4.769 4.340 -0.000 0.000 0.225 1140 L C 1.186 178.082 176.870 0.043 0.000 1.053 1140 L CA 0.678 55.552 54.840 0.056 0.000 0.866 1140 L CB 0.240 42.329 42.059 0.051 0.000 1.132 1140 L HN 0.865 nan 8.230 nan 0.000 0.486 1141 G N -0.303 108.511 108.800 0.022 0.000 2.427 1141 G HA2 0.496 4.456 3.960 -0.000 0.000 0.306 1141 G HA3 0.496 4.456 3.960 -0.000 0.000 0.306 1141 G C -2.155 172.750 174.900 0.008 0.000 1.280 1141 G CA -0.318 44.792 45.100 0.017 0.000 0.837 1141 G HN -0.129 nan 8.290 nan 0.000 0.482 1142 I N -0.521 120.066 120.570 0.028 0.000 2.787 1142 I HA 0.617 4.787 4.170 -0.000 0.000 0.294 1142 I C -1.224 175.001 176.117 0.180 0.000 1.365 1142 I CA -1.043 60.314 61.300 0.095 0.000 1.029 1142 I CB 2.119 40.184 38.000 0.108 0.000 1.313 1142 I HN 0.576 nan 8.210 nan 0.000 0.431 1143 M N 5.902 125.660 119.600 0.263 0.000 2.465 1143 M HA 0.537 5.017 4.480 -0.000 0.000 0.316 1143 M C -0.256 176.300 176.300 0.426 0.000 1.121 1143 M CA -0.723 54.771 55.300 0.324 0.000 0.934 1143 M CB 2.079 34.834 32.600 0.258 0.000 1.692 1143 M HN 0.628 nan 8.290 nan 0.000 0.444 1144 A N 3.476 126.508 122.820 0.353 0.000 3.015 1144 A HA 0.430 4.750 4.320 -0.000 0.000 0.293 1144 A C -0.589 176.824 177.584 -0.285 0.000 1.572 1144 A CA -0.432 51.448 52.037 -0.262 0.000 1.274 1144 A CB -0.569 18.201 19.000 -0.382 0.000 1.156 1144 A HN 0.709 nan 8.150 nan 0.000 0.562 1145 L N 2.520 123.489 121.223 -0.423 0.000 2.367 1145 L HA 0.310 4.650 4.340 -0.000 0.000 0.275 1145 L C -0.522 175.993 176.870 -0.592 0.000 1.129 1145 L CA -0.021 54.327 54.840 -0.821 0.000 0.839 1145 L CB 0.586 42.205 42.059 -0.733 0.000 1.133 1145 L HN 0.396 nan 8.230 nan 0.000 0.453 1146 L N 5.136 126.033 121.223 -0.543 0.000 2.283 1146 L HA 0.329 4.668 4.340 -0.000 0.000 0.281 1146 L C -0.638 176.060 176.870 -0.287 0.000 1.033 1146 L CA -0.224 54.397 54.840 -0.366 0.000 0.848 1146 L CB 0.741 42.623 42.059 -0.295 0.000 1.226 1146 L HN 0.627 nan 8.230 nan 0.000 0.429 1147 D N 4.099 124.368 120.400 -0.218 0.000 2.359 1147 D HA 0.169 4.809 4.640 -0.000 0.000 0.230 1147 D C 0.334 176.569 176.300 -0.108 0.000 1.118 1147 D CA 0.044 53.973 54.000 -0.119 0.000 0.844 1147 D CB 0.680 41.460 40.800 -0.035 0.000 1.059 1147 D HN 0.525 nan 8.370 nan 0.000 0.493 1148 E N 2.414 122.549 120.200 -0.107 0.000 2.360 1148 E HA -0.250 4.100 4.350 -0.000 0.000 0.238 1148 E C 0.796 177.336 176.600 -0.100 0.000 1.186 1148 E CA 0.536 56.877 56.400 -0.099 0.000 0.719 1148 E CB -1.424 28.224 29.700 -0.088 0.000 1.236 1148 E HN 0.912 nan 8.360 nan 0.000 0.386 1149 G N 0.034 108.764 108.800 -0.118 0.000 2.148 1149 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 1149 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 1149 G C -0.075 174.740 174.900 -0.142 0.000 0.981 1149 G CA 0.781 45.808 45.100 -0.122 0.000 0.670 1149 G HN 0.409 nan 8.290 nan 0.000 0.528 1150 E N 0.248 120.351 120.200 -0.162 0.000 2.212 1150 E HA 0.486 4.836 4.350 -0.000 0.000 0.268 1150 E C -0.128 176.314 176.600 -0.264 0.000 0.902 1150 E CA -0.663 55.622 56.400 -0.192 0.000 0.779 1150 E CB 1.215 30.826 29.700 -0.148 0.000 1.172 1150 E HN 0.079 nan 8.360 nan 0.000 0.409 1151 T N 2.032 116.376 114.554 -0.349 0.000 2.831 1151 T HA 0.008 4.358 4.350 -0.000 0.000 0.291 1151 T C -0.256 174.231 174.700 -0.355 0.000 0.981 1151 T CA 0.651 62.477 62.100 -0.457 0.000 1.174 1151 T CB -0.056 68.430 68.868 -0.637 0.000 0.929 1151 T HN 0.374 nan 8.240 nan 0.000 0.532 1152 D N 3.003 123.170 120.400 -0.388 0.000 2.968 1152 D HA 0.183 4.823 4.640 -0.000 0.000 0.301 1152 D C -0.750 175.436 176.300 -0.191 0.000 1.226 1152 D CA -0.639 53.227 54.000 -0.224 0.000 0.746 1152 D CB 0.013 40.696 40.800 -0.195 0.000 1.278 1152 D HN 0.500 nan 8.370 nan 0.000 0.544 1153 W N 2.134 123.378 121.300 -0.093 0.000 2.391 1153 W HA 0.103 4.763 4.660 -0.000 0.000 0.339 1153 W C 0.880 177.308 176.519 -0.153 0.000 1.252 1153 W CA -0.035 57.270 57.345 -0.066 0.000 1.304 1153 W CB 0.642 30.103 29.460 0.002 0.000 1.179 1153 W HN -0.127 nan 8.180 nan 0.000 0.567 1154 K N 3.439 123.897 120.400 0.097 0.000 2.483 1154 K HA 0.360 4.680 4.320 -0.000 0.000 0.256 1154 K C -0.925 175.625 176.600 -0.083 0.000 0.961 1154 K CA -0.909 55.305 56.287 -0.122 0.000 0.873 1154 K CB 1.233 33.565 32.500 -0.281 0.000 1.107 1154 K HN 0.184 nan 8.250 nan 0.000 0.432 1155 V N 4.766 124.568 119.914 -0.187 0.000 2.530 1155 V HA 0.284 4.404 4.120 -0.000 0.000 0.282 1155 V C 0.572 176.525 176.094 -0.235 0.000 1.048 1155 V CA -0.635 61.553 62.300 -0.187 0.000 0.997 1155 V CB 0.719 32.380 31.823 -0.268 0.000 0.987 1155 V HN 0.515 nan 8.190 nan 0.000 0.477 1156 I N 4.669 125.148 120.570 -0.151 0.000 2.315 1156 I HA 0.673 4.843 4.170 -0.000 0.000 0.291 1156 I C 0.413 176.459 176.117 -0.117 0.000 1.006 1156 I CA 0.463 61.667 61.300 -0.160 0.000 1.265 1156 I CB 1.256 39.194 38.000 -0.104 0.000 1.387 1156 I HN 0.762 nan 8.210 nan 0.000 0.475 1157 A N 6.230 128.963 122.820 -0.145 0.000 2.564 1157 A HA 0.929 5.249 4.320 -0.000 0.000 0.288 1157 A C -1.531 176.005 177.584 -0.081 0.000 1.164 1157 A CA -0.555 51.439 52.037 -0.071 0.000 0.712 1157 A CB 1.665 20.638 19.000 -0.046 0.000 1.303 1157 A HN 0.567 nan 8.150 nan 0.000 0.418 1158 I N 0.197 120.754 120.570 -0.022 0.000 2.607 1158 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 1158 I C -1.008 175.111 176.117 0.002 0.000 1.129 1158 I CA -0.232 61.054 61.300 -0.024 0.000 1.042 1158 I CB 1.936 39.944 38.000 0.014 0.000 1.242 1158 I HN 0.682 nan 8.210 nan 0.000 0.421 1159 D N 6.633 127.024 120.400 -0.016 0.000 2.487 1159 D HA 0.020 4.660 4.640 -0.000 0.000 0.243 1159 D C 1.551 177.858 176.300 0.011 0.000 1.154 1159 D CA 0.301 54.298 54.000 -0.005 0.000 0.876 1159 D CB 0.817 41.606 40.800 -0.018 0.000 1.161 1159 D HN 0.583 nan 8.370 nan 0.000 0.478 1160 I N 1.154 121.734 120.570 0.017 0.000 2.850 1160 I HA -0.181 3.989 4.170 -0.000 0.000 0.266 1160 I C 1.009 177.133 176.117 0.011 0.000 1.257 1160 I CA 0.903 62.212 61.300 0.015 0.000 1.465 1160 I CB -0.348 37.660 38.000 0.014 0.000 1.091 1160 I HN 0.202 nan 8.210 nan 0.000 0.467 1161 N N 0.649 119.357 118.700 0.012 0.000 2.412 1161 N HA -0.010 4.729 4.740 -0.000 0.000 0.184 1161 N C 0.138 175.656 175.510 0.013 0.000 1.101 1161 N CA -0.085 52.973 53.050 0.014 0.000 0.881 1161 N CB 0.057 38.555 38.487 0.019 0.000 0.969 1161 N HN 0.423 nan 8.380 nan 0.000 0.459 1162 D N 0.562 120.971 120.400 0.014 0.000 2.424 1162 D HA 0.028 4.668 4.640 -0.000 0.000 0.244 1162 D C -1.547 174.759 176.300 0.010 0.000 1.134 1162 D CA -1.705 52.307 54.000 0.020 0.000 0.881 1162 D CB 1.192 42.012 40.800 0.035 0.000 1.191 1162 D HN -0.076 nan 8.370 nan 0.000 0.445 1163 P HA -0.120 nan 4.420 nan 0.000 0.217 1163 P C 0.871 178.145 177.300 -0.043 0.000 1.148 1163 P CA 0.994 64.088 63.100 -0.010 0.000 0.828 1163 P CB 0.181 31.880 31.700 -0.002 0.000 0.783 1164 L N -2.203 118.992 121.223 -0.048 0.000 2.592 1164 L HA 0.150 4.490 4.340 -0.000 0.000 0.227 1164 L C 2.170 178.976 176.870 -0.106 0.000 1.127 1164 L CA 0.117 54.876 54.840 -0.136 0.000 0.884 1164 L CB -0.627 41.328 42.059 -0.173 0.000 1.065 1164 L HN -0.056 nan 8.230 nan 0.000 0.457 1165 A N 1.464 124.264 122.820 -0.034 0.000 1.892 1165 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 1165 A C -0.133 177.433 177.584 -0.030 0.000 1.188 1165 A CA 1.729 53.758 52.037 -0.012 0.000 0.631 1165 A CB -1.658 17.343 19.000 0.002 0.000 0.822 1165 A HN 0.269 nan 8.150 nan 0.000 0.447 1166 P HA -0.139 nan 4.420 nan 0.000 0.218 1166 P C 1.078 178.348 177.300 -0.050 0.000 1.148 1166 P CA 1.546 64.622 63.100 -0.039 0.000 0.822 1166 P CB -0.017 31.660 31.700 -0.039 0.000 0.784 1167 K N -1.711 118.618 120.400 -0.119 0.000 2.361 1167 K HA 0.090 4.410 4.320 -0.000 0.000 0.196 1167 K C 0.205 176.762 176.600 -0.071 0.000 1.039 1167 K CA 0.195 56.392 56.287 -0.151 0.000 1.001 1167 K CB 0.134 32.372 32.500 -0.438 0.000 0.795 1167 K HN 0.057 nan 8.250 nan 0.000 0.495 1168 L N 2.056 123.253 121.223 -0.044 0.000 2.255 1168 L HA 0.183 4.523 4.340 -0.000 0.000 0.289 1168 L C 0.305 177.219 176.870 0.072 0.000 1.046 1168 L CA 0.408 55.291 54.840 0.072 0.000 0.816 1168 L CB 0.921 43.050 42.059 0.116 0.000 1.197 1168 L HN 0.185 nan 8.230 nan 0.000 0.427 1169 N N 1.019 119.771 118.700 0.088 0.000 2.211 1169 N HA 0.087 4.827 4.740 -0.000 0.000 0.216 1169 N C -0.213 175.340 175.510 0.071 0.000 1.240 1169 N CA 0.016 53.108 53.050 0.069 0.000 0.895 1169 N CB 1.879 40.399 38.487 0.055 0.000 1.102 1169 N HN 0.538 nan 8.380 nan 0.000 0.498 1170 D N -0.502 119.947 120.400 0.082 0.000 2.643 1170 D HA 0.196 4.836 4.640 -0.000 0.000 0.283 1170 D C 0.674 177.020 176.300 0.078 0.000 1.242 1170 D CA -0.666 53.376 54.000 0.070 0.000 0.863 1170 D CB 1.648 42.482 40.800 0.056 0.000 1.382 1170 D HN -0.247 nan 8.370 nan 0.000 0.444 1171 I N 1.558 122.163 120.570 0.058 0.000 2.248 1171 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 1171 I C 1.539 177.695 176.117 0.065 0.000 1.107 1171 I CA 1.893 63.225 61.300 0.053 0.000 1.373 1171 I CB -0.074 37.940 38.000 0.023 0.000 1.055 1171 I HN 0.379 nan 8.210 nan 0.000 0.418 1172 E N 0.404 120.637 120.200 0.055 0.000 2.204 1172 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 1172 E C 1.768 178.410 176.600 0.070 0.000 0.990 1172 E CA 1.219 57.647 56.400 0.047 0.000 0.821 1172 E CB -0.382 29.336 29.700 0.030 0.000 0.750 1172 E HN 0.528 nan 8.360 nan 0.000 0.477 1173 D N -0.343 120.129 120.400 0.120 0.000 2.264 1173 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 1173 D C 1.753 178.227 176.300 0.290 0.000 0.966 1173 D CA 0.502 54.626 54.000 0.207 0.000 0.864 1173 D CB 0.074 41.032 40.800 0.264 0.000 0.933 1173 D HN 0.080 nan 8.370 nan 0.000 0.499 1174 V N 0.879 120.951 119.914 0.263 0.000 2.358 1174 V HA -0.196 3.923 4.120 -0.000 0.000 0.246 1174 V C 2.409 178.687 176.094 0.307 0.000 1.047 1174 V CA 1.467 63.996 62.300 0.382 0.000 1.035 1174 V CB -0.292 31.666 31.823 0.224 0.000 0.658 1174 V HN 0.063 nan 8.190 nan 0.000 0.452 1175 E N 0.674 120.963 120.200 0.150 0.000 2.152 1175 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 1175 E C 2.166 178.766 176.600 -0.000 0.000 0.983 1175 E CA 1.272 57.721 56.400 0.083 0.000 0.818 1175 E CB -0.244 29.482 29.700 0.042 0.000 0.758 1175 E HN 0.555 nan 8.360 nan 0.000 0.467 1176 K N -1.197 119.161 120.400 -0.071 0.000 2.057 1176 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 1176 K C 1.167 177.458 176.600 -0.515 0.000 1.050 1176 K CA 1.422 57.523 56.287 -0.310 0.000 0.935 1176 K CB -0.109 32.142 32.500 -0.414 0.000 0.715 1176 K HN 0.207 nan 8.250 nan 0.000 0.439 1177 Y N -1.668 118.540 120.300 -0.154 0.000 2.498 1177 Y HA 0.188 4.738 4.550 -0.000 0.000 0.259 1177 Y C 0.099 175.612 175.900 -0.644 0.000 1.086 1177 Y CA -0.150 57.688 58.100 -0.437 0.000 1.287 1177 Y CB 0.738 38.811 38.460 -0.644 0.000 1.146 1177 Y HN -0.096 nan 8.280 nan 0.000 0.523 1178 F N 1.713 121.746 119.950 0.139 0.000 2.597 1178 F HA 0.376 4.903 4.527 -0.000 0.000 0.336 1178 F C -2.513 173.325 175.800 0.063 0.000 1.432 1178 F CA -3.161 54.898 58.000 0.099 0.000 1.120 1178 F CB 0.121 39.179 39.000 0.097 0.000 1.253 1178 F HN -0.207 nan 8.300 nan 0.000 0.546 1179 P HA 0.091 nan 4.420 nan 0.000 0.262 1179 P C 0.988 178.355 177.300 0.112 0.000 1.182 1179 P CA 1.410 64.564 63.100 0.091 0.000 0.761 1179 P CB 1.222 32.943 31.700 0.035 0.000 0.795 1180 G N 2.441 111.300 108.800 0.098 0.000 2.241 1180 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.244 1180 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.244 1180 G C 0.674 175.640 174.900 0.110 0.000 0.998 1180 G CA 0.271 45.428 45.100 0.095 0.000 0.621 1180 G HN 0.549 nan 8.290 nan 0.000 0.519 1181 L N 1.003 122.308 121.223 0.136 0.000 2.083 1181 L HA 0.240 4.580 4.340 -0.000 0.000 0.209 1181 L C 2.716 179.651 176.870 0.107 0.000 1.083 1181 L CA 2.499 57.412 54.840 0.121 0.000 0.752 1181 L CB -0.362 41.774 42.059 0.129 0.000 0.899 1181 L HN 0.445 nan 8.230 nan 0.000 0.433 1182 L N -0.966 120.312 121.223 0.091 0.000 2.056 1182 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 1182 L C 2.786 179.683 176.870 0.044 0.000 1.078 1182 L CA 1.257 56.133 54.840 0.060 0.000 0.749 1182 L CB -0.603 41.476 42.059 0.033 0.000 0.901 1182 L HN 0.297 nan 8.230 nan 0.000 0.433 1183 R N 0.498 121.028 120.500 0.050 0.000 2.081 1183 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 1183 R C 2.263 178.613 176.300 0.084 0.000 1.131 1183 R CA 1.448 57.575 56.100 0.046 0.000 0.960 1183 R CB -0.163 30.168 30.300 0.052 0.000 0.856 1183 R HN 0.331 nan 8.270 nan 0.000 0.436 1184 A N -0.136 122.750 122.820 0.110 0.000 1.969 1184 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 1184 A C 2.096 179.738 177.584 0.097 0.000 1.169 1184 A CA 1.792 53.911 52.037 0.137 0.000 0.635 1184 A CB -0.573 18.520 19.000 0.155 0.000 0.810 1184 A HN 0.400 nan 8.150 nan 0.000 0.445 1185 T N 0.365 115.006 114.554 0.144 0.000 2.777 1185 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 1185 T C 2.029 176.957 174.700 0.379 0.000 1.040 1185 T CA 1.245 63.522 62.100 0.294 0.000 1.141 1185 T CB -0.411 68.641 68.868 0.307 0.000 0.868 1185 T HN 0.680 nan 8.240 nan 0.000 0.444 1186 N N 1.181 119.975 118.700 0.157 0.000 2.069 1186 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 1186 N C 1.954 177.638 175.510 0.289 0.000 1.031 1186 N CA 1.701 54.764 53.050 0.022 0.000 0.852 1186 N CB -0.132 38.225 38.487 -0.217 0.000 1.018 1186 N HN 0.575 nan 8.380 nan 0.000 0.423 1187 E N -0.467 119.859 120.200 0.210 0.000 2.031 1187 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 1187 E C 1.971 178.694 176.600 0.205 0.000 0.994 1187 E CA 1.140 57.667 56.400 0.210 0.000 0.800 1187 E CB -0.466 29.358 29.700 0.208 0.000 0.752 1187 E HN 0.478 nan 8.360 nan 0.000 0.447 1188 W N 0.182 121.435 121.300 -0.078 0.000 2.318 1188 W HA -0.240 4.420 4.660 -0.000 0.000 0.313 1188 W C 1.842 178.207 176.519 -0.257 0.000 1.221 1188 W CA 1.953 59.107 57.345 -0.318 0.000 1.266 1188 W CB -0.427 28.613 29.460 -0.699 0.000 1.150 1188 W HN 0.130 nan 8.180 nan 0.000 0.496 1189 F N -0.063 120.135 119.950 0.413 0.000 2.407 1189 F HA -0.023 4.504 4.527 -0.000 0.000 0.299 1189 F C 2.405 178.368 175.800 0.271 0.000 1.097 1189 F CA 1.365 59.563 58.000 0.330 0.000 1.422 1189 F CB -0.715 38.505 39.000 0.366 0.000 1.067 1189 F HN -0.198 nan 8.300 nan 0.000 0.539 1190 R N 0.281 121.009 120.500 0.380 0.000 2.075 1190 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 1190 R C 2.053 178.401 176.300 0.081 0.000 1.114 1190 R CA 1.695 57.931 56.100 0.227 0.000 0.972 1190 R CB -0.294 30.150 30.300 0.239 0.000 0.869 1190 R HN 0.411 nan 8.270 nan 0.000 0.437 1191 I N -2.008 118.577 120.570 0.024 0.000 4.057 1191 I HA 0.054 4.224 4.170 -0.000 0.000 0.334 1191 I C 1.735 177.716 176.117 -0.226 0.000 1.308 1191 I CA -0.153 61.095 61.300 -0.086 0.000 1.125 1191 I CB -0.068 37.902 38.000 -0.049 0.000 1.034 1191 I HN 0.003 nan 8.210 nan 0.000 0.401 1192 Y N 2.189 122.129 120.300 -0.600 0.000 2.384 1192 Y HA -0.007 4.542 4.550 -0.000 0.000 0.289 1192 Y C 1.760 177.345 175.900 -0.525 0.000 1.152 1192 Y CA 1.050 58.651 58.100 -0.832 0.000 1.258 1192 Y CB -0.866 36.579 38.460 -1.691 0.000 0.979 1192 Y HN 0.087 nan 8.280 nan 0.000 0.549 1193 K N 0.260 120.147 120.400 -0.853 0.000 2.367 1193 K HA 0.219 4.539 4.320 -0.000 0.000 0.194 1193 K C 1.738 178.096 176.600 -0.403 0.000 1.027 1193 K CA 0.386 56.258 56.287 -0.692 0.000 1.075 1193 K CB 0.041 32.089 32.500 -0.752 0.000 0.845 1193 K HN 0.363 nan 8.250 nan 0.000 0.529 1194 I N 1.799 122.175 120.570 -0.323 0.000 2.248 1194 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 1194 I C -0.992 174.983 176.117 -0.237 0.000 1.107 1194 I CA 1.298 62.466 61.300 -0.220 0.000 1.373 1194 I CB -0.792 37.120 38.000 -0.146 0.000 1.055 1194 I HN 0.043 nan 8.210 nan 0.000 0.418 1195 P HA -0.112 nan 4.420 nan 0.000 0.223 1195 P C 0.653 177.742 177.300 -0.351 0.000 1.151 1195 P CA 1.208 64.000 63.100 -0.514 0.000 0.787 1195 P CB 0.005 31.075 31.700 -1.050 0.000 0.788 1196 D N -1.717 118.511 120.400 -0.288 0.000 2.328 1196 D HA 0.131 4.771 4.640 -0.000 0.000 0.221 1196 D C 1.513 177.727 176.300 -0.144 0.000 1.072 1196 D CA 0.677 54.560 54.000 -0.195 0.000 0.850 1196 D CB -0.164 40.516 40.800 -0.200 0.000 0.922 1196 D HN 0.107 nan 8.370 nan 0.000 0.516 1197 G N 1.251 109.967 108.800 -0.141 0.000 2.157 1197 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 1197 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 1197 G C 0.336 175.173 174.900 -0.105 0.000 0.979 1197 G CA -0.050 44.991 45.100 -0.099 0.000 0.650 1197 G HN 0.302 nan 8.290 nan 0.000 0.529 1198 K N 1.308 121.621 120.400 -0.144 0.000 2.098 1198 K HA 0.522 4.842 4.320 -0.000 0.000 0.257 1198 K C -1.907 174.616 176.600 -0.129 0.000 0.999 1198 K CA -1.571 54.631 56.287 -0.141 0.000 0.924 1198 K CB 1.231 33.619 32.500 -0.185 0.000 1.028 1198 K HN 0.112 nan 8.250 nan 0.000 0.466 1199 P HA -0.017 nan 4.420 nan 0.000 0.274 1199 P C -0.786 176.457 177.300 -0.095 0.000 1.246 1199 P CA -0.265 62.785 63.100 -0.085 0.000 0.795 1199 P CB 0.538 32.197 31.700 -0.068 0.000 1.006 1200 E N 1.323 121.482 120.200 -0.067 0.000 2.414 1200 E HA -0.006 4.344 4.350 -0.000 0.000 0.263 1200 E C 0.056 176.628 176.600 -0.048 0.000 1.000 1200 E CA -0.291 56.079 56.400 -0.050 0.000 0.914 1200 E CB 0.249 29.940 29.700 -0.016 0.000 0.948 1200 E HN 0.279 nan 8.360 nan 0.000 0.444 1201 N N 1.515 120.192 118.700 -0.038 0.000 2.347 1201 N HA 0.197 4.937 4.740 -0.000 0.000 0.253 1201 N C -0.291 175.194 175.510 -0.042 0.000 1.274 1201 N CA 0.173 53.185 53.050 -0.062 0.000 0.941 1201 N CB 1.095 39.544 38.487 -0.063 0.000 1.200 1201 N HN 0.676 nan 8.380 nan 0.000 0.514 1202 Q N -0.091 119.638 119.800 -0.119 0.000 2.456 1202 Q HA 0.697 5.037 4.340 -0.000 0.000 0.283 1202 Q C -1.627 174.253 176.000 -0.200 0.000 1.084 1202 Q CA -0.710 55.056 55.803 -0.061 0.000 0.801 1202 Q CB 1.353 30.056 28.738 -0.057 0.000 1.434 1202 Q HN 0.517 nan 8.270 nan 0.000 0.419 1203 F N 0.382 120.294 119.950 -0.063 0.000 2.546 1203 F HA 0.796 5.323 4.527 -0.000 0.000 0.320 1203 F C 0.783 176.487 175.800 -0.159 0.000 1.076 1203 F CA -0.564 57.377 58.000 -0.098 0.000 0.928 1203 F CB 2.474 41.459 39.000 -0.025 0.000 1.189 1203 F HN 0.863 nan 8.300 nan 0.000 0.465 1204 A N 1.395 124.160 122.820 -0.092 0.000 2.259 1204 A HA 0.590 4.910 4.320 -0.000 0.000 0.278 1204 A C -0.324 177.114 177.584 -0.243 0.000 1.107 1204 A CA -0.376 51.429 52.037 -0.388 0.000 0.828 1204 A CB -0.243 18.254 19.000 -0.839 0.000 1.111 1204 A HN 0.879 nan 8.150 nan 0.000 0.498 1205 F N -0.900 119.071 119.950 0.036 0.000 3.069 1205 F HA -0.259 4.268 4.527 -0.000 0.000 0.285 1205 F C 1.168 176.976 175.800 0.013 0.000 0.827 1205 F CA 0.990 59.003 58.000 0.022 0.000 1.108 1205 F CB -2.592 36.409 39.000 0.002 0.000 1.252 1205 F HN 0.768 nan 8.300 nan 0.000 0.483 1206 S N -2.142 113.626 115.700 0.112 0.000 3.476 1206 S HA 0.000 4.470 4.470 -0.000 0.000 0.309 1206 S C 1.564 176.193 174.600 0.048 0.000 1.222 1206 S CA 1.123 59.370 58.200 0.078 0.000 0.922 1206 S CB -1.604 61.634 63.200 0.064 0.000 1.023 1206 S HN 2.359 nan 8.310 nan 0.000 0.591 1207 G N 0.443 109.280 108.800 0.061 0.000 2.141 1207 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.242 1207 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.242 1207 G C -0.282 174.520 174.900 -0.164 0.000 0.982 1207 G CA 0.494 45.475 45.100 -0.199 0.000 0.662 1207 G HN 0.916 nan 8.290 nan 0.000 0.527 1208 E N 0.651 120.859 120.200 0.013 0.000 2.414 1208 E HA 0.485 4.835 4.350 -0.000 0.000 0.263 1208 E C 0.673 177.254 176.600 -0.031 0.000 1.000 1208 E CA 0.124 56.517 56.400 -0.011 0.000 0.914 1208 E CB 0.488 30.195 29.700 0.012 0.000 0.948 1208 E HN 0.808 nan 8.360 nan 0.000 0.444 1209 A N 5.860 128.643 122.820 -0.060 0.000 2.279 1209 A HA 0.213 4.533 4.320 -0.000 0.000 0.306 1209 A C -0.259 177.268 177.584 -0.096 0.000 1.300 1209 A CA -0.712 51.296 52.037 -0.049 0.000 0.925 1209 A CB 0.415 19.395 19.000 -0.034 0.000 1.152 1209 A HN 0.483 nan 8.150 nan 0.000 0.544 1210 K N 1.955 122.253 120.400 -0.170 0.000 2.276 1210 K HA 0.068 4.388 4.320 -0.000 0.000 0.259 1210 K C 0.588 177.124 176.600 -0.106 0.000 1.001 1210 K CA -0.212 55.898 56.287 -0.294 0.000 0.927 1210 K CB 0.519 32.575 32.500 -0.741 0.000 0.969 1210 K HN 0.933 nan 8.250 nan 0.000 0.490 1211 N N 0.402 119.069 118.700 -0.054 0.000 2.327 1211 N HA -0.021 4.719 4.740 -0.000 0.000 0.257 1211 N C 0.782 176.328 175.510 0.060 0.000 1.281 1211 N CA -0.062 52.998 53.050 0.016 0.000 0.942 1211 N CB 0.411 38.911 38.487 0.023 0.000 1.199 1211 N HN 0.489 nan 8.380 nan 0.000 0.532 1212 K N -0.379 120.056 120.400 0.059 0.000 2.044 1212 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 1212 K C 1.672 178.317 176.600 0.075 0.000 1.049 1212 K CA 1.307 57.636 56.287 0.070 0.000 0.927 1212 K CB -0.093 32.448 32.500 0.069 0.000 0.713 1212 K HN 0.496 nan 8.250 nan 0.000 0.443 1213 K N 0.240 120.681 120.400 0.069 0.000 2.032 1213 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 1213 K C 2.113 178.738 176.600 0.040 0.000 1.048 1213 K CA 1.673 57.990 56.287 0.050 0.000 0.927 1213 K CB -0.515 32.010 32.500 0.042 0.000 0.712 1213 K HN 0.265 nan 8.250 nan 0.000 0.441 1214 Y N 1.002 121.268 120.300 -0.056 0.000 2.145 1214 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 1214 Y C 2.238 178.054 175.900 -0.140 0.000 1.145 1214 Y CA 2.028 60.069 58.100 -0.098 0.000 1.148 1214 Y CB -0.602 37.789 38.460 -0.114 0.000 0.981 1214 Y HN 0.189 nan 8.280 nan 0.000 0.507 1215 A N 0.302 123.203 122.820 0.136 0.000 1.892 1215 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 1215 A C 2.310 179.858 177.584 -0.060 0.000 1.188 1215 A CA 2.061 54.105 52.037 0.012 0.000 0.631 1215 A CB -1.263 17.751 19.000 0.023 0.000 0.822 1215 A HN 0.554 nan 8.150 nan 0.000 0.447 1216 L N -0.636 120.587 121.223 0.000 0.000 2.079 1216 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 1216 L C 2.096 178.952 176.870 -0.023 0.000 1.081 1216 L CA 1.508 56.372 54.840 0.040 0.000 0.752 1216 L CB -0.774 41.342 42.059 0.095 0.000 0.896 1216 L HN 0.336 nan 8.230 nan 0.000 0.433 1217 D N 0.137 120.473 120.400 -0.108 0.000 2.117 1217 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 1217 D C 2.257 178.436 176.300 -0.201 0.000 0.982 1217 D CA 1.084 54.986 54.000 -0.162 0.000 0.828 1217 D CB 0.049 40.686 40.800 -0.272 0.000 0.967 1217 D HN 0.176 nan 8.370 nan 0.000 0.464 1218 I N 0.930 121.311 120.570 -0.314 0.000 2.252 1218 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 1218 I C 2.525 178.503 176.117 -0.232 0.000 1.102 1218 I CA 0.624 61.683 61.300 -0.401 0.000 1.385 1218 I CB -0.874 36.633 38.000 -0.822 0.000 1.064 1218 I HN 0.027 nan 8.210 nan 0.000 0.414 1219 I N 0.969 121.434 120.570 -0.175 0.000 2.163 1219 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 1219 I C 2.668 178.789 176.117 0.007 0.000 1.085 1219 I CA 1.506 62.739 61.300 -0.112 0.000 1.347 1219 I CB -0.424 37.436 38.000 -0.234 0.000 1.044 1219 I HN 0.225 nan 8.210 nan 0.000 0.408 1220 K N 1.298 121.726 120.400 0.046 0.000 2.063 1220 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 1220 K C 2.265 178.950 176.600 0.142 0.000 1.048 1220 K CA 2.113 58.488 56.287 0.146 0.000 0.928 1220 K CB -0.174 32.395 32.500 0.115 0.000 0.713 1220 K HN 0.364 nan 8.250 nan 0.000 0.442 1221 E N 0.346 120.576 120.200 0.050 0.000 2.085 1221 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 1221 E C 1.848 178.518 176.600 0.116 0.000 0.994 1221 E CA 2.065 58.493 56.400 0.047 0.000 0.801 1221 E CB -1.599 28.085 29.700 -0.026 0.000 0.743 1221 E HN 0.758 nan 8.360 nan 0.000 0.453 1222 T N -2.360 112.276 114.554 0.135 0.000 2.951 1222 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 1222 T C 2.035 176.947 174.700 0.354 0.000 1.073 1222 T CA 1.506 63.746 62.100 0.233 0.000 1.134 1222 T CB -0.371 68.617 68.868 0.201 0.000 0.884 1222 T HN 0.603 nan 8.240 nan 0.000 0.479 1223 H N 1.801 120.992 119.070 0.203 0.000 2.363 1223 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 1223 H C 1.714 177.252 175.328 0.350 0.000 1.074 1223 H CA 1.648 57.856 56.048 0.266 0.000 1.354 1223 H CB -0.535 29.339 29.762 0.186 0.000 1.397 1223 H HN 0.278 nan 8.280 nan 0.000 0.516 1224 D N -0.607 119.919 120.400 0.209 0.000 2.144 1224 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 1224 D C 2.238 178.627 176.300 0.148 0.000 0.984 1224 D CA 1.310 55.376 54.000 0.109 0.000 0.834 1224 D CB -0.213 40.644 40.800 0.095 0.000 0.955 1224 D HN 0.326 nan 8.370 nan 0.000 0.465 1225 S N -0.071 115.774 115.700 0.242 0.000 2.383 1225 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 1225 S C 1.647 176.503 174.600 0.428 0.000 1.026 1225 S CA 0.705 59.106 58.200 0.337 0.000 0.981 1225 S CB -0.334 63.096 63.200 0.384 0.000 0.818 1225 S HN 0.477 nan 8.310 nan 0.000 0.472 1226 W N 2.628 124.085 121.300 0.262 0.000 2.388 1226 W HA -0.012 4.647 4.660 -0.000 0.000 0.294 1226 W C 1.811 178.317 176.519 -0.022 0.000 1.212 1226 W CA 0.944 58.380 57.345 0.152 0.000 1.271 1226 W CB -0.135 29.462 29.460 0.227 0.000 1.126 1226 W HN 0.115 nan 8.180 nan 0.000 0.535 1227 K N -0.052 120.309 120.400 -0.065 0.000 2.097 1227 K HA -0.275 4.045 4.320 -0.000 0.000 0.206 1227 K C 2.158 178.548 176.600 -0.350 0.000 1.049 1227 K CA 1.825 57.911 56.287 -0.334 0.000 0.933 1227 K CB -0.444 31.977 32.500 -0.132 0.000 0.717 1227 K HN 0.332 nan 8.250 nan 0.000 0.442 1228 Q N 0.958 120.652 119.800 -0.177 0.000 2.083 1228 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 1228 Q C 2.216 178.081 176.000 -0.225 0.000 0.969 1228 Q CA 0.998 56.722 55.803 -0.132 0.000 0.838 1228 Q CB 0.009 28.749 28.738 0.003 0.000 0.900 1228 Q HN 0.223 nan 8.270 nan 0.000 0.436 1229 L N 0.560 121.600 121.223 -0.305 0.000 1.994 1229 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 1229 L C 2.219 178.712 176.870 -0.628 0.000 1.071 1229 L CA 1.567 56.102 54.840 -0.508 0.000 0.745 1229 L CB -0.622 40.950 42.059 -0.812 0.000 0.892 1229 L HN 0.340 nan 8.230 nan 0.000 0.431 1230 I N 0.042 120.068 120.570 -0.907 0.000 2.567 1230 I HA -0.136 4.034 4.170 -0.000 0.000 0.257 1230 I C 2.198 177.979 176.117 -0.561 0.000 1.184 1230 I CA 1.327 62.086 61.300 -0.902 0.000 1.451 1230 I CB -0.552 36.619 38.000 -1.382 0.000 1.089 1230 I HN 0.344 nan 8.210 nan 0.000 0.441 1231 A N -0.133 122.412 122.820 -0.458 0.000 2.206 1231 A HA 0.354 4.674 4.320 -0.000 0.000 0.211 1231 A C 1.885 179.335 177.584 -0.223 0.000 1.158 1231 A CA 0.629 52.492 52.037 -0.289 0.000 0.761 1231 A CB -1.027 17.835 19.000 -0.230 0.000 0.801 1231 A HN 0.773 nan 8.150 nan 0.000 0.473 1232 G N -0.550 108.099 108.800 -0.251 0.000 2.147 1232 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.244 1232 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.244 1232 G C 0.524 175.346 174.900 -0.130 0.000 1.005 1232 G CA 0.664 45.653 45.100 -0.185 0.000 0.713 1232 G HN 0.554 nan 8.290 nan 0.000 0.515 1233 K N 0.048 120.369 120.400 -0.132 0.000 2.399 1233 K HA 0.313 4.633 4.320 -0.000 0.000 0.204 1233 K C 1.261 177.841 176.600 -0.033 0.000 1.023 1233 K CA 0.412 56.653 56.287 -0.076 0.000 1.127 1233 K CB 0.747 33.203 32.500 -0.075 0.000 0.856 1233 K HN 0.296 nan 8.250 nan 0.000 0.514 1234 S N 0.569 116.251 115.700 -0.030 0.000 2.603 1234 S HA 0.034 4.504 4.470 -0.000 0.000 0.268 1234 S C 1.357 175.992 174.600 0.058 0.000 1.317 1234 S CA -0.411 57.828 58.200 0.065 0.000 1.012 1234 S CB 1.031 64.295 63.200 0.108 0.000 0.926 1234 S HN 0.338 nan 8.310 nan 0.000 0.539 1235 S N 1.315 117.069 115.700 0.090 0.000 2.489 1235 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 1235 S C 0.078 174.722 174.600 0.074 0.000 0.995 1235 S CA 0.355 58.594 58.200 0.064 0.000 0.934 1235 S CB -0.180 63.056 63.200 0.061 0.000 0.771 1235 S HN 0.759 nan 8.310 nan 0.000 0.522 1236 D N 0.616 121.089 120.400 0.121 0.000 2.419 1236 D HA 0.182 4.822 4.640 -0.000 0.000 0.219 1236 D C 0.103 176.525 176.300 0.203 0.000 1.349 1236 D CA -0.046 54.030 54.000 0.127 0.000 0.964 1236 D CB 1.391 42.264 40.800 0.121 0.000 1.463 1236 D HN 0.100 nan 8.370 nan 0.000 0.573 1237 S N 2.441 118.203 115.700 0.103 0.000 2.603 1237 S HA -0.009 4.461 4.470 -0.000 0.000 0.220 1237 S C 0.719 175.394 174.600 0.125 0.000 0.967 1237 S CA -0.180 58.046 58.200 0.043 0.000 0.920 1237 S CB -0.101 63.026 63.200 -0.123 0.000 0.773 1237 S HN 0.457 nan 8.310 nan 0.000 0.529 1238 K N 0.622 121.120 120.400 0.163 0.000 3.016 1238 K HA -0.197 4.122 4.320 -0.000 0.000 0.262 1238 K C 0.992 177.662 176.600 0.115 0.000 1.043 1238 K CA 0.741 57.124 56.287 0.160 0.000 0.761 1238 K CB -2.639 30.008 32.500 0.246 0.000 1.230 1238 K HN 1.197 nan 8.250 nan 0.000 0.485 1239 G N 0.014 108.856 108.800 0.070 0.000 2.166 1239 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 1239 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 1239 G C 0.412 175.343 174.900 0.053 0.000 0.986 1239 G CA 0.447 45.578 45.100 0.051 0.000 0.683 1239 G HN 0.474 nan 8.290 nan 0.000 0.527 1240 I N 1.017 121.620 120.570 0.055 0.000 2.710 1240 I HA 0.062 4.232 4.170 -0.000 0.000 0.286 1240 I C 0.586 176.713 176.117 0.017 0.000 1.181 1240 I CA -0.120 61.219 61.300 0.065 0.000 1.430 1240 I CB 0.498 38.517 38.000 0.033 0.000 1.367 1240 I HN 0.036 nan 8.210 nan 0.000 0.577 1241 D N 7.077 127.519 120.400 0.070 0.000 2.339 1241 D HA 0.143 4.783 4.640 -0.000 0.000 0.256 1241 D C 0.378 176.713 176.300 0.059 0.000 1.214 1241 D CA 0.049 54.081 54.000 0.054 0.000 0.877 1241 D CB 0.940 41.795 40.800 0.091 0.000 1.111 1241 D HN 0.383 nan 8.370 nan 0.000 0.478 1242 L N 2.986 124.147 121.223 -0.103 0.000 2.700 1242 L HA 0.115 4.455 4.340 -0.000 0.000 0.234 1242 L C 0.909 177.629 176.870 -0.250 0.000 1.156 1242 L CA -0.162 54.459 54.840 -0.365 0.000 0.946 1242 L CB 0.050 41.834 42.059 -0.459 0.000 1.216 1242 L HN 0.202 nan 8.230 nan 0.000 0.493 1243 T N 2.023 116.554 114.554 -0.039 0.000 2.928 1243 T HA 0.181 4.531 4.350 -0.000 0.000 0.305 1243 T C 0.089 174.844 174.700 0.092 0.000 1.035 1243 T CA 0.150 62.256 62.100 0.009 0.000 1.145 1243 T CB 0.305 69.193 68.868 0.034 0.000 0.963 1243 T HN 0.535 nan 8.240 nan 0.000 0.545 1244 N N -0.584 118.165 118.700 0.082 0.000 2.610 1244 N HA 0.484 5.224 4.740 -0.000 0.000 0.264 1244 N C -0.208 175.384 175.510 0.137 0.000 1.348 1244 N CA -1.036 52.114 53.050 0.168 0.000 0.819 1244 N CB 1.408 40.024 38.487 0.215 0.000 1.521 1244 N HN 0.291 nan 8.380 nan 0.000 0.497 1245 V N -3.675 116.346 119.914 0.178 0.000 3.253 1245 V HA 0.403 4.523 4.120 -0.000 0.000 0.320 1245 V C 0.573 176.869 176.094 0.337 0.000 1.442 1245 V CA 0.803 63.189 62.300 0.144 0.000 1.097 1245 V CB -0.319 31.539 31.823 0.059 0.000 1.008 1245 V HN 0.983 nan 8.190 nan 0.000 0.463 1246 T N -2.037 112.729 114.554 0.354 0.000 3.058 1246 T HA 0.445 4.795 4.350 -0.000 0.000 0.278 1246 T C 0.248 175.037 174.700 0.148 0.000 0.974 1246 T CA 0.059 62.314 62.100 0.259 0.000 0.893 1246 T CB -0.102 68.883 68.868 0.194 0.000 1.138 1246 T HN 0.353 nan 8.240 nan 0.000 0.529 1247 L N 2.862 124.171 121.223 0.145 0.000 2.435 1247 L HA 0.434 4.774 4.340 -0.000 0.000 0.253 1247 L C -1.732 174.902 176.870 -0.393 0.000 1.087 1247 L CA -2.332 52.486 54.840 -0.037 0.000 0.950 1247 L CB 1.319 43.426 42.059 0.080 0.000 1.304 1247 L HN -0.084 nan 8.230 nan 0.000 0.453 1248 P HA -0.172 nan 4.420 nan 0.000 0.219 1248 P C 0.326 177.311 177.300 -0.525 0.000 1.146 1248 P CA 1.196 63.523 63.100 -1.289 0.000 0.808 1248 P CB 0.422 31.623 31.700 -0.831 0.000 0.779 1249 D N -0.241 119.985 120.400 -0.291 0.000 2.339 1249 D HA 0.019 4.659 4.640 -0.000 0.000 0.217 1249 D C 0.898 177.126 176.300 -0.121 0.000 1.050 1249 D CA 0.546 54.450 54.000 -0.160 0.000 0.856 1249 D CB -0.135 40.593 40.800 -0.121 0.000 0.922 1249 D HN 0.322 nan 8.370 nan 0.000 0.518 1250 T N -2.128 112.357 114.554 -0.115 0.000 2.907 1250 T HA 0.339 4.689 4.350 -0.000 0.000 0.284 1250 T C -1.919 172.757 174.700 -0.041 0.000 1.004 1250 T CA -1.734 60.306 62.100 -0.099 0.000 1.063 1250 T CB 2.329 71.122 68.868 -0.126 0.000 0.992 1250 T HN -0.319 nan 8.240 nan 0.000 0.483 1251 P HA -0.012 nan 4.420 nan 0.000 0.220 1251 P C 1.208 178.493 177.300 -0.025 0.000 1.148 1251 P CA 0.895 63.968 63.100 -0.045 0.000 0.803 1251 P CB -0.092 31.562 31.700 -0.077 0.000 0.782 1252 T N -5.982 108.546 114.554 -0.043 0.000 3.186 1252 T HA 0.085 4.435 4.350 -0.000 0.000 0.257 1252 T C 0.210 174.921 174.700 0.019 0.000 1.029 1252 T CA -0.560 61.516 62.100 -0.040 0.000 0.916 1252 T CB -1.040 67.763 68.868 -0.109 0.000 1.041 1252 T HN -0.063 nan 8.240 nan 0.000 0.562 1253 Y N 2.495 122.757 120.300 -0.063 0.000 2.526 1253 Y HA 0.430 4.980 4.550 -0.000 0.000 0.330 1253 Y C 0.166 176.056 175.900 -0.018 0.000 1.156 1253 Y CA -0.576 57.505 58.100 -0.032 0.000 1.419 1253 Y CB 0.503 38.947 38.460 -0.027 0.000 1.250 1253 Y HN 0.213 nan 8.280 nan 0.000 0.540 1254 S N 6.784 122.134 115.700 -0.583 0.000 2.357 1254 S HA 0.238 4.708 4.470 -0.000 0.000 0.209 1254 S C 0.263 174.591 174.600 -0.454 0.000 0.981 1254 S CA -0.872 57.036 58.200 -0.486 0.000 1.106 1254 S CB 0.205 63.283 63.200 -0.203 0.000 1.266 1254 S HN 0.825 nan 8.310 nan 0.000 0.410 1255 K N 2.074 122.128 120.400 -0.578 0.000 2.113 1255 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 1255 K C 2.109 178.620 176.600 -0.148 0.000 1.047 1255 K CA 1.479 57.595 56.287 -0.285 0.000 0.928 1255 K CB -0.469 31.920 32.500 -0.185 0.000 0.716 1255 K HN 0.712 nan 8.250 nan 0.000 0.446 1256 A N 1.388 124.124 122.820 -0.139 0.000 2.125 1256 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 1256 A C 2.344 179.885 177.584 -0.072 0.000 1.156 1256 A CA 1.656 53.641 52.037 -0.086 0.000 0.671 1256 A CB -0.433 18.522 19.000 -0.075 0.000 0.794 1256 A HN 0.322 nan 8.150 nan 0.000 0.459 1257 A N -0.580 122.193 122.820 -0.077 0.000 1.978 1257 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 1257 A C 2.438 179.996 177.584 -0.043 0.000 1.170 1257 A CA 2.080 54.090 52.037 -0.046 0.000 0.636 1257 A CB -0.844 18.139 19.000 -0.028 0.000 0.810 1257 A HN 0.583 nan 8.150 nan 0.000 0.448 1258 S N -0.200 115.475 115.700 -0.042 0.000 2.368 1258 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 1258 S C 1.511 176.072 174.600 -0.066 0.000 1.029 1258 S CA 1.541 59.717 58.200 -0.040 0.000 0.988 1258 S CB -0.502 62.689 63.200 -0.014 0.000 0.838 1258 S HN 0.632 nan 8.310 nan 0.000 0.462 1259 D N 0.983 121.348 120.400 -0.057 0.000 2.317 1259 D HA 0.088 4.727 4.640 -0.000 0.000 0.211 1259 D C 1.853 178.113 176.300 -0.066 0.000 0.966 1259 D CA 0.850 54.816 54.000 -0.057 0.000 0.876 1259 D CB -0.098 40.676 40.800 -0.044 0.000 0.927 1259 D HN 0.534 nan 8.370 nan 0.000 0.519 1260 A N 0.867 123.644 122.820 -0.070 0.000 2.119 1260 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 1260 A C 1.113 178.637 177.584 -0.100 0.000 1.152 1260 A CA 0.076 52.072 52.037 -0.067 0.000 0.708 1260 A CB -0.017 18.954 19.000 -0.049 0.000 0.805 1260 A HN 0.034 nan 8.150 nan 0.000 0.460 1261 I N 1.231 121.704 120.570 -0.163 0.000 2.556 1261 I HA 0.177 4.347 4.170 -0.000 0.000 0.284 1261 I C -2.261 173.731 176.117 -0.209 0.000 1.114 1261 I CA -2.627 58.501 61.300 -0.286 0.000 1.418 1261 I CB -0.391 37.287 38.000 -0.538 0.000 1.394 1261 I HN 0.003 nan 8.210 nan 0.000 0.552 1262 P HA 0.155 nan 4.420 nan 0.000 0.270 1262 P C -2.307 174.936 177.300 -0.095 0.000 1.223 1262 P CA -0.636 62.408 63.100 -0.093 0.000 0.785 1262 P CB -0.234 31.437 31.700 -0.048 0.000 0.923 1263 P HA 0.109 nan 4.420 nan 0.000 0.274 1263 P C -0.799 176.493 177.300 -0.013 0.000 1.256 1263 P CA -0.294 62.785 63.100 -0.035 0.000 0.795 1263 P CB 0.382 32.071 31.700 -0.019 0.000 1.038 1264 A N 1.332 124.153 122.820 0.002 0.000 2.511 1264 A HA 0.323 4.643 4.320 -0.000 0.000 0.242 1264 A C 0.758 178.360 177.584 0.030 0.000 1.069 1264 A CA 0.375 52.428 52.037 0.025 0.000 0.763 1264 A CB -0.705 18.313 19.000 0.030 0.000 1.001 1264 A HN 0.549 nan 8.150 nan 0.000 0.498 1265 S N 2.518 118.245 115.700 0.045 0.000 2.472 1265 S HA 0.320 4.790 4.470 -0.000 0.000 0.191 1265 S C -0.351 174.287 174.600 0.063 0.000 1.244 1265 S CA -0.441 57.787 58.200 0.047 0.000 1.227 1265 S CB -0.521 62.706 63.200 0.045 0.000 1.381 1265 S HN 0.760 nan 8.310 nan 0.000 0.394 1266 L N 2.174 123.435 121.223 0.063 0.000 2.490 1266 L HA 0.355 4.695 4.340 -0.000 0.000 0.274 1266 L C -0.271 176.640 176.870 0.068 0.000 1.201 1266 L CA 0.569 55.455 54.840 0.077 0.000 0.869 1266 L CB 0.390 42.488 42.059 0.065 0.000 1.123 1266 L HN 0.462 nan 8.230 nan 0.000 0.484 1267 K N 4.001 124.450 120.400 0.081 0.000 2.477 1267 K HA 0.611 4.931 4.320 -0.000 0.000 0.255 1267 K C -0.793 175.842 176.600 0.058 0.000 0.952 1267 K CA -0.893 55.431 56.287 0.062 0.000 0.826 1267 K CB 1.827 34.365 32.500 0.064 0.000 1.331 1267 K HN 0.660 nan 8.250 nan 0.000 0.437 1268 A N 1.626 124.470 122.820 0.039 0.000 2.466 1268 A HA 0.060 4.380 4.320 -0.000 0.000 0.238 1268 A C -0.476 177.120 177.584 0.020 0.000 1.074 1268 A CA -0.022 52.032 52.037 0.029 0.000 0.774 1268 A CB -0.115 18.898 19.000 0.022 0.000 1.015 1268 A HN 0.683 nan 8.150 nan 0.000 0.498 1269 D N 0.704 121.108 120.400 0.007 0.000 2.571 1269 D HA 0.344 4.984 4.640 -0.000 0.000 0.231 1269 D C 0.588 176.885 176.300 -0.005 0.000 1.133 1269 D CA 1.496 55.486 54.000 -0.016 0.000 0.862 1269 D CB 0.471 41.261 40.800 -0.016 0.000 1.179 1269 D HN 0.747 nan 8.370 nan 0.000 0.474 1270 A N 3.592 126.406 122.820 -0.009 0.000 2.286 1270 A HA 0.550 4.870 4.320 -0.000 0.000 0.286 1270 A C -2.203 175.389 177.584 0.014 0.000 1.097 1270 A CA -1.267 50.776 52.037 0.010 0.000 0.821 1270 A CB 0.211 19.223 19.000 0.020 0.000 1.076 1270 A HN 0.346 nan 8.150 nan 0.000 0.490 1271 P HA 0.266 nan 4.420 nan 0.000 0.269 1271 P C -0.897 176.408 177.300 0.008 0.000 1.209 1271 P CA 0.361 63.465 63.100 0.005 0.000 0.776 1271 P CB 0.371 32.072 31.700 0.003 0.000 0.876 1272 I N 1.541 122.094 120.570 -0.028 0.000 2.377 1272 I HA 0.173 4.343 4.170 -0.000 0.000 0.293 1272 I C 0.758 176.796 176.117 -0.133 0.000 0.987 1272 I CA -0.774 60.468 61.300 -0.097 0.000 1.185 1272 I CB 1.053 38.938 38.000 -0.191 0.000 1.341 1272 I HN 0.308 nan 8.210 nan 0.000 0.455 1273 D N 6.417 126.731 120.400 -0.144 0.000 2.583 1273 D HA -0.089 4.551 4.640 -0.000 0.000 0.232 1273 D C 0.872 177.097 176.300 -0.125 0.000 1.128 1273 D CA 0.307 54.245 54.000 -0.102 0.000 0.859 1273 D CB 1.002 41.760 40.800 -0.070 0.000 1.169 1273 D HN 0.414 nan 8.370 nan 0.000 0.481 1274 K N 1.951 122.307 120.400 -0.073 0.000 2.360 1274 K HA -0.117 4.203 4.320 -0.000 0.000 0.201 1274 K C 1.909 178.476 176.600 -0.054 0.000 1.046 1274 K CA 0.604 56.853 56.287 -0.064 0.000 0.940 1274 K CB -0.277 32.198 32.500 -0.042 0.000 0.748 1274 K HN 0.491 nan 8.250 nan 0.000 0.465 1275 S N 0.886 116.560 115.700 -0.044 0.000 2.423 1275 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 1275 S C 1.852 176.455 174.600 0.005 0.000 1.014 1275 S CA 0.491 58.688 58.200 -0.006 0.000 0.965 1275 S CB -0.212 63.000 63.200 0.020 0.000 0.785 1275 S HN 0.075 nan 8.310 nan 0.000 0.495 1276 I N 2.848 123.372 120.570 -0.076 0.000 2.756 1276 I HA -0.067 4.103 4.170 -0.000 0.000 0.262 1276 I C 1.505 177.613 176.117 -0.014 0.000 1.225 1276 I CA 0.780 62.030 61.300 -0.082 0.000 1.472 1276 I CB -1.467 36.332 38.000 -0.335 0.000 1.094 1276 I HN 0.227 nan 8.210 nan 0.000 0.454 1277 D N 1.133 121.509 120.400 -0.041 0.000 2.144 1277 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 1277 D C 1.336 177.611 176.300 -0.041 0.000 0.984 1277 D CA 0.700 54.663 54.000 -0.063 0.000 0.834 1277 D CB -0.187 40.568 40.800 -0.075 0.000 0.955 1277 D HN 0.260 nan 8.370 nan 0.000 0.465 1278 K N 0.445 120.855 120.400 0.017 0.000 2.504 1278 K HA -0.124 4.196 4.320 -0.000 0.000 0.278 1278 K C -0.578 176.101 176.600 0.131 0.000 1.025 1278 K CA 0.007 56.303 56.287 0.014 0.000 1.093 1278 K CB 0.307 32.752 32.500 -0.091 0.000 0.873 1278 K HN -0.027 nan 8.250 nan 0.000 0.483 1279 W N 6.218 127.471 121.300 -0.077 0.000 2.335 1279 W HA 0.281 4.940 4.660 -0.000 0.000 0.307 1279 W C -1.124 175.305 176.519 -0.150 0.000 1.117 1279 W CA -1.181 56.143 57.345 -0.035 0.000 1.228 1279 W CB 0.168 29.619 29.460 -0.015 0.000 1.240 1279 W HN 0.406 nan 8.180 nan 0.000 0.468 1280 F N 5.170 125.221 119.950 0.168 0.000 2.404 1280 F HA 0.330 4.856 4.527 -0.000 0.000 0.339 1280 F C -0.212 175.458 175.800 -0.217 0.000 1.105 1280 F CA -0.516 57.516 58.000 0.053 0.000 1.087 1280 F CB 0.589 39.623 39.000 0.056 0.000 1.143 1280 F HN -0.021 nan 8.300 nan 0.000 0.491 1281 F N 5.355 125.346 119.950 0.068 0.000 2.291 1281 F HA 0.466 4.993 4.527 -0.000 0.000 0.368 1281 F C 0.300 176.117 175.800 0.029 0.000 1.085 1281 F CA -0.777 57.200 58.000 -0.038 0.000 1.165 1281 F CB 0.252 39.133 39.000 -0.198 0.000 1.429 1281 F HN 0.220 nan 8.300 nan 0.000 0.503 1282 I N 0.000 120.647 120.570 0.128 0.000 2.984 1282 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1282 I CA 0.000 61.357 61.300 0.095 0.000 1.566 1282 I CB 0.000 38.040 38.000 0.067 0.000 1.214 1282 I HN 0.000 nan 8.210 nan 0.000 0.494