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 1e6a_1_B DATA FIRST_RESID 1001 DATA SEQUENCE TYTTRQIGAK NTLEYKVYIE KDGKPVSAFH DIPLYADKEN NIFNMVVEIP DATA SEQUENCE RWTNAKLEIT KEETLNPIIQ DTKKGKLRFV 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 0.000 174.556 174.700 -0.240 0.000 1.109 1001 T CA 0.000 61.984 62.100 -0.192 0.000 1.349 1001 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 1002 Y N 2.417 122.743 120.300 0.043 0.000 2.320 1002 Y HA 0.647 5.197 4.550 -0.000 0.000 0.334 1002 Y C 1.334 177.280 175.900 0.076 0.000 1.055 1002 Y CA -0.372 57.760 58.100 0.053 0.000 1.143 1002 Y CB 1.483 39.969 38.460 0.045 0.000 1.193 1002 Y HN 0.855 nan 8.280 nan 0.000 0.477 1003 T N -1.933 112.770 114.554 0.249 0.000 2.716 1003 T HA 0.795 5.145 4.350 -0.000 0.000 0.286 1003 T C -0.391 174.422 174.700 0.188 0.000 1.052 1003 T CA -0.980 61.233 62.100 0.187 0.000 1.024 1003 T CB 1.654 70.589 68.868 0.112 0.000 1.349 1003 T HN 0.514 nan 8.240 nan 0.000 0.525 1004 T N -1.216 113.433 114.554 0.158 0.000 2.887 1004 T HA 0.686 5.036 4.350 -0.000 0.000 0.288 1004 T C -0.698 174.072 174.700 0.116 0.000 1.021 1004 T CA -1.012 61.177 62.100 0.148 0.000 1.000 1004 T CB 1.853 70.823 68.868 0.170 0.000 1.034 1004 T HN 0.919 nan 8.240 nan 0.000 0.467 1005 R N 1.915 122.495 120.500 0.133 0.000 2.388 1005 R HA 0.360 4.700 4.340 -0.000 0.000 0.314 1005 R C -0.669 175.715 176.300 0.141 0.000 0.959 1005 R CA -0.521 55.651 56.100 0.121 0.000 0.851 1005 R CB 1.169 31.534 30.300 0.108 0.000 1.168 1005 R HN 0.839 nan 8.270 nan 0.000 0.472 1006 Q N 5.426 125.291 119.800 0.108 0.000 2.257 1006 Q HA 0.299 4.639 4.340 -0.000 0.000 0.255 1006 Q C -0.762 175.308 176.000 0.118 0.000 0.920 1006 Q CA -0.672 55.193 55.803 0.105 0.000 0.927 1006 Q CB 1.099 29.925 28.738 0.147 0.000 1.229 1006 Q HN 0.524 nan 8.270 nan 0.000 0.433 1007 I N 4.060 124.696 120.570 0.111 0.000 2.378 1007 I HA 0.471 4.641 4.170 -0.000 0.000 0.291 1007 I C 0.867 177.083 176.117 0.166 0.000 0.992 1007 I CA 0.477 61.852 61.300 0.125 0.000 1.154 1007 I CB 0.291 38.373 38.000 0.137 0.000 1.315 1007 I HN 0.966 nan 8.210 nan 0.000 0.448 1008 G N 5.207 114.098 108.800 0.151 0.000 2.698 1008 G HA2 0.017 3.977 3.960 -0.000 0.000 0.233 1008 G HA3 0.017 3.977 3.960 -0.000 0.000 0.233 1008 G C -0.366 174.651 174.900 0.194 0.000 1.352 1008 G CA -0.189 45.008 45.100 0.162 0.000 0.879 1008 G HN 1.045 nan 8.290 nan 0.000 0.567 1009 A N -0.230 122.670 122.820 0.133 0.000 2.305 1009 A HA 0.728 5.047 4.320 -0.000 0.000 0.322 1009 A C 0.585 178.080 177.584 -0.149 0.000 1.187 1009 A CA 0.529 52.586 52.037 0.033 0.000 0.825 1009 A CB 1.002 20.009 19.000 0.010 0.000 1.164 1009 A HN 1.064 nan 8.150 nan 0.000 0.498 1010 K N 1.668 121.814 120.400 -0.423 0.000 2.469 1010 K HA -0.009 4.311 4.320 -0.000 0.000 0.274 1010 K C -0.178 176.159 176.600 -0.439 0.000 0.983 1010 K CA 0.568 56.255 56.287 -1.000 0.000 0.974 1010 K CB 0.037 32.155 32.500 -0.636 0.000 0.913 1010 K HN 0.787 nan 8.250 nan 0.000 0.493 1011 N N 0.533 119.010 118.700 -0.371 0.000 2.829 1011 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 1011 N C -0.928 174.596 175.510 0.024 0.000 1.090 1011 N CA 1.513 54.537 53.050 -0.044 0.000 0.781 1011 N CB -1.808 36.722 38.487 0.071 0.000 1.124 1011 N HN 0.853 nan 8.380 nan 0.000 0.559 1012 T N -3.457 111.100 114.554 0.006 0.000 2.901 1012 T HA 0.667 5.017 4.350 -0.000 0.000 0.293 1012 T C 1.360 176.114 174.700 0.091 0.000 1.084 1012 T CA -0.960 61.177 62.100 0.061 0.000 1.008 1012 T CB 1.604 70.509 68.868 0.061 0.000 1.170 1012 T HN -0.036 nan 8.240 nan 0.000 0.509 1013 L N 0.181 121.449 121.223 0.076 0.000 2.275 1013 L HA -0.002 4.337 4.340 -0.000 0.000 0.215 1013 L C 2.237 179.156 176.870 0.083 0.000 1.119 1013 L CA 1.220 56.101 54.840 0.068 0.000 0.790 1013 L CB -0.472 41.617 42.059 0.051 0.000 0.919 1013 L HN 0.701 nan 8.230 nan 0.000 0.443 1014 E N -1.198 119.061 120.200 0.099 0.000 2.371 1014 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 1014 E C 0.144 176.828 176.600 0.139 0.000 1.012 1014 E CA 0.014 56.475 56.400 0.101 0.000 0.860 1014 E CB -0.159 29.596 29.700 0.091 0.000 0.811 1014 E HN 0.264 nan 8.360 nan 0.000 0.502 1015 Y N 2.494 122.806 120.300 0.019 0.000 2.632 1015 Y HA 0.021 4.571 4.550 -0.000 0.000 0.329 1015 Y C -0.258 175.637 175.900 -0.008 0.000 1.174 1015 Y CA 0.052 58.161 58.100 0.015 0.000 1.469 1015 Y CB 0.153 38.618 38.460 0.009 0.000 1.242 1015 Y HN -0.250 nan 8.280 nan 0.000 0.540 1016 K N 4.869 125.055 120.400 -0.356 0.000 2.498 1016 K HA 0.661 4.981 4.320 -0.000 0.000 0.254 1016 K C -1.796 174.502 176.600 -0.503 0.000 0.933 1016 K CA -1.127 54.886 56.287 -0.456 0.000 0.806 1016 K CB 2.579 34.949 32.500 -0.217 0.000 1.301 1016 K HN 0.339 nan 8.250 nan 0.000 0.432 1017 V N 3.162 122.753 119.914 -0.538 0.000 2.447 1017 V HA 0.333 4.453 4.120 -0.000 0.000 0.292 1017 V C -1.358 174.576 176.094 -0.267 0.000 1.021 1017 V CA -0.876 61.245 62.300 -0.298 0.000 0.850 1017 V CB 0.622 32.287 31.823 -0.264 0.000 1.005 1017 V HN 0.613 nan 8.190 nan 0.000 0.426 1018 Y N 4.070 124.332 120.300 -0.064 0.000 2.419 1018 Y HA 0.622 5.172 4.550 -0.000 0.000 0.328 1018 Y C 0.418 176.321 175.900 0.004 0.000 1.162 1018 Y CA -0.716 57.368 58.100 -0.027 0.000 1.174 1018 Y CB 1.516 39.971 38.460 -0.009 0.000 1.228 1018 Y HN 0.441 nan 8.280 nan 0.000 0.473 1019 I N 2.460 123.132 120.570 0.170 0.000 2.385 1019 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 1019 I C -0.527 175.707 176.117 0.195 0.000 0.988 1019 I CA -0.470 60.914 61.300 0.141 0.000 1.265 1019 I CB 1.192 39.219 38.000 0.046 0.000 1.388 1019 I HN 0.572 nan 8.210 nan 0.000 0.480 1020 E N 4.618 124.945 120.200 0.211 0.000 2.199 1020 E HA 0.526 4.876 4.350 -0.000 0.000 0.269 1020 E C -0.466 176.266 176.600 0.220 0.000 0.899 1020 E CA -0.801 55.709 56.400 0.182 0.000 0.772 1020 E CB 1.740 31.509 29.700 0.115 0.000 1.155 1020 E HN 0.550 nan 8.360 nan 0.000 0.408 1021 K N 2.181 122.666 120.400 0.142 0.000 2.316 1021 K HA 0.230 4.550 4.320 -0.000 0.000 0.267 1021 K C -0.370 176.204 176.600 -0.045 0.000 1.025 1021 K CA -0.664 55.612 56.287 -0.017 0.000 0.896 1021 K CB 0.066 32.559 32.500 -0.011 0.000 1.124 1021 K HN 0.640 nan 8.250 nan 0.000 0.451 1022 D N 2.059 122.414 120.400 -0.076 0.000 2.699 1022 D HA -0.197 4.443 4.640 -0.000 0.000 0.239 1022 D C 1.067 177.360 176.300 -0.012 0.000 1.136 1022 D CA 2.278 56.251 54.000 -0.045 0.000 0.668 1022 D CB -1.438 39.331 40.800 -0.051 0.000 1.060 1022 D HN 1.762 nan 8.370 nan 0.000 0.429 1023 G N -0.641 108.163 108.800 0.006 0.000 2.212 1023 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.266 1023 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.266 1023 G C 0.257 175.165 174.900 0.014 0.000 0.978 1023 G CA 0.870 45.978 45.100 0.013 0.000 0.632 1023 G HN 0.509 nan 8.290 nan 0.000 0.537 1024 K N 1.180 121.592 120.400 0.020 0.000 2.235 1024 K HA 0.490 4.810 4.320 -0.000 0.000 0.266 1024 K C -2.790 173.835 176.600 0.043 0.000 0.980 1024 K CA -2.171 54.126 56.287 0.017 0.000 0.849 1024 K CB 2.135 34.643 32.500 0.014 0.000 1.098 1024 K HN -0.028 nan 8.250 nan 0.000 0.445 1025 P HA -0.053 nan 4.420 nan 0.000 0.268 1025 P C -0.745 176.608 177.300 0.089 0.000 1.204 1025 P CA -0.305 62.827 63.100 0.054 0.000 0.768 1025 P CB 0.691 32.355 31.700 -0.061 0.000 0.842 1026 V N -0.117 119.884 119.914 0.145 0.000 3.141 1026 V HA 0.627 4.747 4.120 -0.000 0.000 0.312 1026 V C -0.126 176.066 176.094 0.162 0.000 1.157 1026 V CA -1.118 61.273 62.300 0.152 0.000 1.041 1026 V CB 1.835 33.769 31.823 0.185 0.000 1.071 1026 V HN 0.402 nan 8.190 nan 0.000 0.441 1027 S N 1.091 116.888 115.700 0.161 0.000 2.488 1027 S HA 0.483 4.953 4.470 -0.000 0.000 0.278 1027 S C 1.317 175.965 174.600 0.080 0.000 1.259 1027 S CA 0.118 58.402 58.200 0.140 0.000 1.061 1027 S CB 0.707 64.022 63.200 0.192 0.000 0.910 1027 S HN 1.729 nan 8.310 nan 0.000 0.491 1028 A N 5.558 128.396 122.820 0.031 0.000 2.121 1028 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 1028 A C 1.527 179.086 177.584 -0.042 0.000 1.154 1028 A CA 0.767 52.780 52.037 -0.040 0.000 0.679 1028 A CB -0.484 18.465 19.000 -0.085 0.000 0.795 1028 A HN 0.871 nan 8.150 nan 0.000 0.458 1029 F N -0.139 119.649 119.950 -0.270 0.000 2.243 1029 F HA 0.081 4.608 4.527 -0.000 0.000 0.287 1029 F C 2.210 177.801 175.800 -0.348 0.000 1.067 1029 F CA 1.346 59.103 58.000 -0.405 0.000 1.304 1029 F CB -0.351 38.235 39.000 -0.689 0.000 1.087 1029 F HN 0.400 nan 8.300 nan 0.000 0.513 1030 H N -1.691 117.552 119.070 0.287 0.000 2.604 1030 H HA 0.193 4.749 4.556 -0.000 0.000 0.273 1030 H C 0.982 176.439 175.328 0.214 0.000 0.971 1030 H CA 0.726 56.945 56.048 0.285 0.000 1.249 1030 H CB -0.097 29.860 29.762 0.324 0.000 1.449 1030 H HN 0.238 nan 8.280 nan 0.000 0.512 1031 D N 0.965 121.514 120.400 0.249 0.000 2.348 1031 D HA 0.101 4.740 4.640 -0.000 0.000 0.211 1031 D C 0.622 177.012 176.300 0.150 0.000 0.998 1031 D CA 0.206 54.334 54.000 0.213 0.000 0.873 1031 D CB 0.972 41.899 40.800 0.213 0.000 0.925 1031 D HN 0.289 nan 8.370 nan 0.000 0.524 1032 I N 2.613 123.212 120.570 0.047 0.000 2.312 1032 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 1032 I C -2.295 173.795 176.117 -0.046 0.000 1.031 1032 I CA -2.031 59.255 61.300 -0.024 0.000 1.293 1032 I CB 1.256 39.126 38.000 -0.218 0.000 1.403 1032 I HN -0.420 nan 8.210 nan 0.000 0.484 1033 P HA -0.079 nan 4.420 nan 0.000 0.265 1033 P C 0.560 177.788 177.300 -0.119 0.000 1.193 1033 P CA -0.168 62.929 63.100 -0.005 0.000 0.765 1033 P CB 0.660 32.402 31.700 0.070 0.000 0.823 1034 L N 4.685 125.769 121.223 -0.232 0.000 2.046 1034 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 1034 L C 0.147 176.729 176.870 -0.478 0.000 1.077 1034 L CA 1.720 56.288 54.840 -0.454 0.000 0.747 1034 L CB -0.919 40.651 42.059 -0.816 0.000 0.896 1034 L HN 0.264 nan 8.230 nan 0.000 0.432 1035 Y N -1.408 118.751 120.300 -0.235 0.000 2.342 1035 Y HA 0.534 5.083 4.550 -0.000 0.000 0.334 1035 Y C 1.073 176.862 175.900 -0.185 0.000 1.067 1035 Y CA -0.239 57.681 58.100 -0.300 0.000 1.128 1035 Y CB 1.324 39.581 38.460 -0.337 0.000 1.200 1035 Y HN -0.016 nan 8.280 nan 0.000 0.464 1036 A N 1.119 123.917 122.820 -0.037 0.000 1.997 1036 A HA 0.049 4.368 4.320 -0.000 0.000 0.212 1036 A C 0.114 177.683 177.584 -0.025 0.000 1.178 1036 A CA 1.077 53.108 52.037 -0.010 0.000 0.698 1036 A CB 0.187 19.178 19.000 -0.014 0.000 0.842 1036 A HN 0.646 nan 8.150 nan 0.000 0.458 1037 D N -1.709 118.652 120.400 -0.065 0.000 2.337 1037 D HA 0.417 5.057 4.640 -0.000 0.000 0.238 1037 D C 0.885 177.081 176.300 -0.173 0.000 1.331 1037 D CA 0.507 54.449 54.000 -0.098 0.000 0.967 1037 D CB 0.769 41.516 40.800 -0.089 0.000 1.382 1037 D HN 0.062 nan 8.370 nan 0.000 0.549 1038 K N 1.679 121.927 120.400 -0.253 0.000 2.032 1038 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 1038 K C 1.954 178.308 176.600 -0.411 0.000 1.048 1038 K CA 2.459 58.401 56.287 -0.574 0.000 0.927 1038 K CB -1.426 30.677 32.500 -0.662 0.000 0.712 1038 K HN 0.544 nan 8.250 nan 0.000 0.441 1039 E N 1.609 121.655 120.200 -0.257 0.000 2.130 1039 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 1039 E C 1.815 178.323 176.600 -0.153 0.000 0.998 1039 E CA 1.543 57.834 56.400 -0.181 0.000 0.806 1039 E CB -0.601 29.024 29.700 -0.125 0.000 0.738 1039 E HN 0.709 nan 8.360 nan 0.000 0.459 1040 N N 0.539 119.149 118.700 -0.150 0.000 2.235 1040 N HA -0.008 4.732 4.740 -0.000 0.000 0.209 1040 N C -0.338 175.084 175.510 -0.147 0.000 1.122 1040 N CA 0.352 53.332 53.050 -0.117 0.000 0.845 1040 N CB 0.550 38.985 38.487 -0.087 0.000 1.004 1040 N HN 0.339 nan 8.380 nan 0.000 0.499 1041 N N 1.005 119.569 118.700 -0.226 0.000 2.721 1041 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 1041 N C -0.796 174.401 175.510 -0.521 0.000 1.072 1041 N CA 0.696 53.530 53.050 -0.361 0.000 0.710 1041 N CB -0.948 37.449 38.487 -0.151 0.000 0.993 1041 N HN 0.285 nan 8.380 nan 0.000 0.547 1042 I N 1.158 121.498 120.570 -0.382 0.000 2.312 1042 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 1042 I C 0.863 176.742 176.117 -0.397 0.000 1.031 1042 I CA -0.255 60.891 61.300 -0.258 0.000 1.293 1042 I CB -0.231 37.699 38.000 -0.117 0.000 1.403 1042 I HN -0.098 nan 8.210 nan 0.000 0.484 1043 F N 4.547 124.372 119.950 -0.209 0.000 2.403 1043 F HA 0.390 4.916 4.527 -0.000 0.000 0.326 1043 F C 0.971 176.623 175.800 -0.246 0.000 1.081 1043 F CA -0.715 57.023 58.000 -0.436 0.000 1.041 1043 F CB 0.746 39.124 39.000 -1.037 0.000 1.234 1043 F HN 0.348 nan 8.300 nan 0.000 0.503 1044 N N 2.515 121.179 118.700 -0.059 0.000 2.419 1044 N HA 0.269 5.009 4.740 -0.000 0.000 0.264 1044 N C -0.945 174.605 175.510 0.068 0.000 1.031 1044 N CA -0.239 52.796 53.050 -0.025 0.000 0.951 1044 N CB 1.473 39.907 38.487 -0.087 0.000 1.101 1044 N HN 0.622 nan 8.380 nan 0.000 0.488 1045 M N 2.764 122.413 119.600 0.080 0.000 2.268 1045 M HA 0.338 4.817 4.480 -0.000 0.000 0.344 1045 M C -1.288 174.941 176.300 -0.119 0.000 1.106 1045 M CA -0.748 54.589 55.300 0.061 0.000 1.010 1045 M CB 1.141 33.738 32.600 -0.005 0.000 1.649 1045 M HN 0.009 nan 8.290 nan 0.000 0.443 1046 V N 5.919 125.731 119.914 -0.170 0.000 2.364 1046 V HA 0.264 4.384 4.120 -0.000 0.000 0.272 1046 V C -0.191 175.756 176.094 -0.244 0.000 1.036 1046 V CA -0.606 61.563 62.300 -0.219 0.000 0.880 1046 V CB 1.261 32.955 31.823 -0.216 0.000 0.991 1046 V HN 0.688 nan 8.190 nan 0.000 0.460 1047 V N 5.658 125.422 119.914 -0.250 0.000 2.461 1047 V HA 0.255 4.375 4.120 -0.000 0.000 0.275 1047 V C 0.772 176.748 176.094 -0.195 0.000 1.047 1047 V CA 0.025 62.177 62.300 -0.246 0.000 0.955 1047 V CB 1.215 32.868 31.823 -0.283 0.000 0.988 1047 V HN 0.993 nan 8.190 nan 0.000 0.471 1048 E N 3.779 123.879 120.200 -0.166 0.000 2.228 1048 E HA 0.342 4.692 4.350 -0.000 0.000 0.197 1048 E C -0.145 176.394 176.600 -0.102 0.000 0.909 1048 E CA 0.209 56.540 56.400 -0.115 0.000 0.911 1048 E CB 0.667 30.314 29.700 -0.088 0.000 0.887 1048 E HN 0.574 nan 8.360 nan 0.000 0.481 1049 I N 2.934 123.421 120.570 -0.139 0.000 2.382 1049 I HA 0.294 4.464 4.170 -0.000 0.000 0.285 1049 I C -2.585 173.423 176.117 -0.183 0.000 1.007 1049 I CA -2.604 58.564 61.300 -0.220 0.000 1.142 1049 I CB 1.734 39.395 38.000 -0.565 0.000 1.289 1049 I HN -0.224 nan 8.210 nan 0.000 0.453 1050 P HA 0.109 nan 4.420 nan 0.000 0.271 1050 P C -0.403 176.825 177.300 -0.119 0.000 1.218 1050 P CA -0.477 62.569 63.100 -0.089 0.000 0.780 1050 P CB 0.546 32.239 31.700 -0.011 0.000 0.901 1051 R N 2.853 123.231 120.500 -0.203 0.000 2.640 1051 R HA -0.073 4.267 4.340 -0.000 0.000 0.270 1051 R C -0.038 176.133 176.300 -0.215 0.000 1.024 1051 R CA 0.348 56.221 56.100 -0.377 0.000 1.085 1051 R CB -0.210 29.644 30.300 -0.743 0.000 0.963 1051 R HN 0.542 nan 8.270 nan 0.000 0.426 1052 W N 0.686 121.931 121.300 -0.092 0.000 3.160 1052 W HA -0.249 4.411 4.660 -0.000 0.000 0.299 1052 W C -0.056 176.260 176.519 -0.338 0.000 1.141 1052 W CA 1.052 58.245 57.345 -0.253 0.000 0.612 1052 W CB -2.870 26.456 29.460 -0.223 0.000 2.186 1052 W HN 0.714 nan 8.180 nan 0.000 1.364 1053 T N -2.649 111.941 114.554 0.061 0.000 2.949 1053 T HA 0.667 5.017 4.350 -0.000 0.000 0.287 1053 T C 0.834 175.657 174.700 0.204 0.000 1.034 1053 T CA 0.114 62.260 62.100 0.077 0.000 1.018 1053 T CB 2.047 70.958 68.868 0.072 0.000 1.135 1053 T HN -0.095 nan 8.240 nan 0.000 0.532 1054 N N -0.198 118.660 118.700 0.264 0.000 2.397 1054 N HA 0.342 5.082 4.740 -0.000 0.000 0.190 1054 N C 0.515 176.278 175.510 0.421 0.000 1.099 1054 N CA 0.022 53.313 53.050 0.403 0.000 0.876 1054 N CB 0.221 38.950 38.487 0.403 0.000 1.143 1054 N HN 0.910 nan 8.380 nan 0.000 0.468 1055 A N 1.380 124.405 122.820 0.343 0.000 2.537 1055 A HA -0.003 4.317 4.320 -0.000 0.000 0.260 1055 A C 0.394 177.952 177.584 -0.044 0.000 1.082 1055 A CA 0.307 52.343 52.037 -0.002 0.000 0.765 1055 A CB 0.051 19.046 19.000 -0.009 0.000 1.019 1055 A HN -0.033 nan 8.150 nan 0.000 0.507 1056 K N 4.142 124.486 120.400 -0.094 0.000 2.111 1056 K HA 0.234 4.554 4.320 -0.000 0.000 0.249 1056 K C -0.602 175.960 176.600 -0.064 0.000 1.157 1056 K CA 0.256 56.525 56.287 -0.031 0.000 1.048 1056 K CB -0.601 31.924 32.500 0.040 0.000 1.498 1056 K HN 0.695 nan 8.250 nan 0.000 0.344 1057 L N 2.610 123.793 121.223 -0.067 0.000 2.350 1057 L HA 0.318 4.658 4.340 -0.000 0.000 0.275 1057 L C 0.391 177.233 176.870 -0.047 0.000 1.099 1057 L CA -0.129 54.689 54.840 -0.036 0.000 0.808 1057 L CB 0.766 42.829 42.059 0.007 0.000 1.149 1057 L HN 0.347 nan 8.230 nan 0.000 0.442 1058 E N 2.593 122.760 120.200 -0.055 0.000 2.366 1058 E HA 0.401 4.751 4.350 -0.000 0.000 0.278 1058 E C -1.103 175.435 176.600 -0.103 0.000 0.923 1058 E CA -0.871 55.493 56.400 -0.061 0.000 0.761 1058 E CB 2.768 32.452 29.700 -0.027 0.000 1.231 1058 E HN 0.409 nan 8.360 nan 0.000 0.443 1059 I N 2.058 122.546 120.570 -0.136 0.000 2.741 1059 I HA -0.047 4.123 4.170 -0.000 0.000 0.288 1059 I C 0.140 176.184 176.117 -0.122 0.000 1.192 1059 I CA 0.860 62.062 61.300 -0.165 0.000 1.426 1059 I CB 0.187 38.044 38.000 -0.238 0.000 1.367 1059 I HN 0.390 nan 8.210 nan 0.000 0.563 1060 T N 7.404 121.899 114.554 -0.097 0.000 2.723 1060 T HA 0.141 4.491 4.350 -0.000 0.000 0.297 1060 T C 1.130 175.851 174.700 0.036 0.000 0.925 1060 T CA -0.637 61.440 62.100 -0.038 0.000 1.030 1060 T CB 0.838 69.676 68.868 -0.051 0.000 0.905 1060 T HN 0.526 nan 8.240 nan 0.000 0.502 1061 K N 2.096 122.547 120.400 0.086 0.000 2.148 1061 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 1061 K C 1.299 178.002 176.600 0.172 0.000 1.050 1061 K CA 1.182 57.598 56.287 0.216 0.000 0.942 1061 K CB 0.137 32.789 32.500 0.254 0.000 0.724 1061 K HN 0.456 nan 8.250 nan 0.000 0.446 1062 E N 0.694 120.959 120.200 0.108 0.000 2.489 1062 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 1062 E C -0.460 176.181 176.600 0.069 0.000 1.057 1062 E CA 0.326 56.776 56.400 0.084 0.000 0.866 1062 E CB 0.318 30.058 29.700 0.067 0.000 0.916 1062 E HN 0.240 nan 8.360 nan 0.000 0.500 1063 E N 0.268 120.507 120.200 0.066 0.000 2.195 1063 E HA 0.274 4.624 4.350 -0.000 0.000 0.271 1063 E C -0.657 175.998 176.600 0.090 0.000 0.923 1063 E CA -0.581 55.856 56.400 0.063 0.000 0.790 1063 E CB 1.503 31.223 29.700 0.033 0.000 1.155 1063 E HN -0.074 nan 8.360 nan 0.000 0.402 1064 T N 3.395 118.011 114.554 0.104 0.000 2.871 1064 T HA 0.030 4.380 4.350 -0.000 0.000 0.296 1064 T C 1.177 175.985 174.700 0.181 0.000 0.998 1064 T CA 0.342 62.516 62.100 0.123 0.000 1.162 1064 T CB 0.005 68.930 68.868 0.095 0.000 0.947 1064 T HN 0.577 nan 8.240 nan 0.000 0.536 1065 L N 1.341 122.667 121.223 0.171 0.000 5.044 1065 L HA -0.292 4.048 4.340 -0.000 0.000 0.412 1065 L C 0.547 177.496 176.870 0.133 0.000 0.971 1065 L CA 0.589 55.546 54.840 0.196 0.000 1.411 1065 L CB -1.977 40.248 42.059 0.277 0.000 1.884 1065 L HN 0.938 nan 8.230 nan 0.000 0.631 1066 N N -1.974 116.776 118.700 0.083 0.000 2.708 1066 N HA -0.117 4.622 4.740 -0.000 0.000 0.255 1066 N C -2.124 173.313 175.510 -0.121 0.000 1.046 1066 N CA 0.667 53.723 53.050 0.010 0.000 0.715 1066 N CB -0.747 37.779 38.487 0.064 0.000 0.895 1066 N HN 0.455 nan 8.380 nan 0.000 0.545 1067 P HA 0.101 nan 4.420 nan 0.000 0.272 1067 P C 0.161 177.237 177.300 -0.374 0.000 1.240 1067 P CA -0.066 62.681 63.100 -0.589 0.000 0.791 1067 P CB 0.918 31.820 31.700 -1.331 0.000 0.978 1068 I N 1.852 122.206 120.570 -0.360 0.000 2.416 1068 I HA 0.268 4.437 4.170 -0.000 0.000 0.288 1068 I C 0.602 176.536 176.117 -0.305 0.000 1.051 1068 I CA -0.069 61.072 61.300 -0.265 0.000 1.375 1068 I CB 0.057 37.927 38.000 -0.216 0.000 1.407 1068 I HN 0.143 nan 8.210 nan 0.000 0.516 1069 I N 5.394 125.845 120.570 -0.197 0.000 2.769 1069 I HA 0.240 4.410 4.170 -0.000 0.000 0.298 1069 I C -0.284 175.801 176.117 -0.053 0.000 1.128 1069 I CA -0.806 60.407 61.300 -0.144 0.000 1.031 1069 I CB 2.236 40.164 38.000 -0.119 0.000 1.235 1069 I HN 0.529 nan 8.210 nan 0.000 0.423 1070 Q N 3.271 123.080 119.800 0.014 0.000 2.313 1070 Q HA 0.045 4.385 4.340 -0.000 0.000 0.266 1070 Q C -0.548 175.423 176.000 -0.048 0.000 0.989 1070 Q CA -0.252 55.540 55.803 -0.020 0.000 0.890 1070 Q CB 0.890 29.604 28.738 -0.040 0.000 1.200 1070 Q HN 0.428 nan 8.270 nan 0.000 0.396 1071 D N 1.845 122.209 120.400 -0.060 0.000 2.423 1071 D HA 0.027 4.667 4.640 -0.000 0.000 0.238 1071 D C -0.638 175.627 176.300 -0.057 0.000 1.142 1071 D CA 0.368 54.343 54.000 -0.042 0.000 0.884 1071 D CB 0.815 41.600 40.800 -0.025 0.000 1.199 1071 D HN 0.595 nan 8.370 nan 0.000 0.438 1072 T N -0.048 114.489 114.554 -0.029 0.000 2.945 1072 T HA 0.590 4.940 4.350 -0.000 0.000 0.286 1072 T C -0.280 174.415 174.700 -0.008 0.000 1.025 1072 T CA -1.023 61.064 62.100 -0.021 0.000 1.039 1072 T CB 1.691 70.558 68.868 -0.003 0.000 1.068 1072 T HN 0.346 nan 8.240 nan 0.000 0.497 1073 K N 0.824 121.226 120.400 0.003 0.000 2.652 1073 K HA 0.281 4.601 4.320 -0.000 0.000 0.249 1073 K C -0.950 175.665 176.600 0.024 0.000 0.986 1073 K CA -0.678 55.617 56.287 0.013 0.000 0.867 1073 K CB 0.584 33.095 32.500 0.019 0.000 1.201 1073 K HN 0.802 nan 8.250 nan 0.000 0.450 1074 K N 2.485 122.897 120.400 0.019 0.000 3.278 1074 K HA -0.263 4.057 4.320 -0.000 0.000 0.270 1074 K C 0.567 177.184 176.600 0.027 0.000 0.955 1074 K CA 0.843 57.143 56.287 0.022 0.000 0.723 1074 K CB -1.549 30.965 32.500 0.024 0.000 1.382 1074 K HN 1.172 nan 8.250 nan 0.000 0.461 1075 G N -0.657 108.158 108.800 0.026 0.000 2.212 1075 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.266 1075 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.266 1075 G C 0.181 175.103 174.900 0.036 0.000 0.978 1075 G CA 1.160 46.277 45.100 0.029 0.000 0.632 1075 G HN 0.423 nan 8.290 nan 0.000 0.537 1076 K N -0.869 119.556 120.400 0.042 0.000 2.312 1076 K HA 0.792 5.112 4.320 -0.000 0.000 0.236 1076 K C 0.293 176.918 176.600 0.040 0.000 1.079 1076 K CA -1.088 55.234 56.287 0.058 0.000 0.900 1076 K CB 1.130 33.681 32.500 0.084 0.000 1.297 1076 K HN 0.090 nan 8.250 nan 0.000 0.498 1077 L N 1.458 122.711 121.223 0.051 0.000 2.395 1077 L HA 0.372 4.712 4.340 -0.000 0.000 0.269 1077 L C 0.402 177.199 176.870 -0.121 0.000 1.133 1077 L CA -0.438 54.357 54.840 -0.076 0.000 0.812 1077 L CB 0.680 42.646 42.059 -0.156 0.000 1.125 1077 L HN 0.439 nan 8.230 nan 0.000 0.452 1078 R N 2.092 122.453 120.500 -0.232 0.000 2.265 1078 R HA 0.485 4.825 4.340 -0.000 0.000 0.319 1078 R C -1.649 174.455 176.300 -0.328 0.000 1.006 1078 R CA -0.349 55.664 56.100 -0.146 0.000 0.880 1078 R CB 0.623 30.881 30.300 -0.069 0.000 1.077 1078 R HN 0.356 nan 8.270 nan 0.000 0.454 1079 F N 3.115 123.105 119.950 0.068 0.000 2.520 1079 F HA 0.327 4.854 4.527 -0.000 0.000 0.322 1079 F C -0.051 175.807 175.800 0.098 0.000 1.103 1079 F CA -0.915 57.142 58.000 0.095 0.000 0.926 1079 F CB 2.052 41.105 39.000 0.089 0.000 1.154 1079 F HN 0.109 nan 8.300 nan 0.000 0.453 1080 V N 4.602 124.715 119.914 0.332 0.000 2.583 1080 V HA 0.337 4.457 4.120 -0.000 0.000 0.287 1080 V C 0.335 176.547 176.094 0.197 0.000 1.051 1080 V CA -0.801 61.636 62.300 0.229 0.000 1.010 1080 V CB 0.660 32.673 31.823 0.316 0.000 0.988 1080 V HN 0.547 nan 8.190 nan 0.000 0.478 1081 R N 3.100 123.634 120.500 0.057 0.000 2.560 1081 R HA 0.299 4.639 4.340 -0.000 0.000 0.270 1081 R C -0.148 176.248 176.300 0.159 0.000 1.074 1081 R CA -0.623 55.530 56.100 0.088 0.000 1.140 1081 R CB 0.081 30.283 30.300 -0.164 0.000 1.073 1081 R HN 0.604 nan 8.270 nan 0.000 0.527 1082 N N 0.693 119.588 118.700 0.325 0.000 2.430 1082 N HA 0.090 4.830 4.740 -0.000 0.000 0.265 1082 N C -0.673 175.155 175.510 0.529 0.000 1.100 1082 N CA 0.065 53.359 53.050 0.406 0.000 0.961 1082 N CB 0.718 39.382 38.487 0.295 0.000 1.075 1082 N HN 0.351 nan 8.380 nan 0.000 0.478 1083 C N 3.585 123.105 119.300 0.367 0.000 2.271 1083 C HA 0.285 4.745 4.460 -0.000 0.000 0.323 1083 C C 0.628 175.658 174.990 0.067 0.000 1.245 1083 C CA -1.181 57.946 59.018 0.182 0.000 1.548 1083 C CB -1.280 26.454 27.740 -0.010 0.000 2.214 1083 C HN 0.656 nan 8.230 nan 0.000 0.477 1084 F N 7.111 126.700 119.950 -0.602 0.000 2.635 1084 F HA 0.156 4.683 4.527 -0.000 0.000 0.379 1084 F C -0.973 174.404 175.800 -0.705 0.000 1.094 1084 F CA -0.875 56.441 58.000 -1.140 0.000 1.300 1084 F CB 0.850 38.583 39.000 -2.113 0.000 1.035 1084 F HN 0.479 nan 8.300 nan 0.000 0.581 1085 P HA 0.024 nan 4.420 nan 0.000 0.254 1085 P C -0.846 176.207 177.300 -0.411 0.000 1.494 1085 P CA 0.280 62.373 63.100 -1.678 0.000 0.961 1085 P CB -0.111 30.655 31.700 -1.555 0.000 1.493 1086 H N 0.064 119.246 119.070 0.188 0.000 2.481 1086 H HA 0.261 4.816 4.556 -0.000 0.000 0.339 1086 H C -0.250 175.386 175.328 0.513 0.000 1.131 1086 H CA -0.230 56.042 56.048 0.374 0.000 1.301 1086 H CB 1.039 31.037 29.762 0.393 0.000 1.476 1086 H HN 0.221 nan 8.280 nan 0.000 0.529 1087 H N 0.952 120.250 119.070 0.381 0.000 2.638 1087 H HA 0.327 4.883 4.556 -0.000 0.000 0.303 1087 H C 0.799 176.344 175.328 0.361 0.000 1.034 1087 H CA -0.014 56.135 56.048 0.168 0.000 1.225 1087 H CB 0.176 29.876 29.762 -0.103 0.000 1.394 1087 H HN 0.989 nan 8.280 nan 0.000 0.477 1088 G N 3.371 112.405 108.800 0.390 0.000 2.594 1088 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.297 1088 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.297 1088 G C -0.718 174.416 174.900 0.391 0.000 1.273 1088 G CA 0.334 45.633 45.100 0.333 0.000 0.974 1088 G HN 0.638 nan 8.290 nan 0.000 0.552 1089 Y N 0.960 121.317 120.300 0.096 0.000 2.346 1089 Y HA 0.428 4.978 4.550 -0.000 0.000 0.330 1089 Y C 1.859 177.479 175.900 -0.466 0.000 1.178 1089 Y CA 0.439 58.333 58.100 -0.344 0.000 1.331 1089 Y CB 0.831 39.072 38.460 -0.365 0.000 1.253 1089 Y HN 0.590 nan 8.280 nan 0.000 0.529 1090 I N -0.601 119.476 120.570 -0.822 0.000 3.928 1090 I HA 0.317 4.487 4.170 -0.000 0.000 0.335 1090 I C -0.738 174.819 176.117 -0.934 0.000 1.325 1090 I CA -0.012 60.829 61.300 -0.765 0.000 1.107 1090 I CB -0.236 37.313 38.000 -0.752 0.000 1.014 1090 I HN 0.504 nan 8.210 nan 0.000 0.400 1091 H N -0.826 117.991 119.070 -0.423 0.000 2.985 1091 H HA 0.451 5.007 4.556 -0.000 0.000 0.360 1091 H C -0.769 174.407 175.328 -0.254 0.000 1.221 1091 H CA -1.018 54.835 56.048 -0.325 0.000 1.121 1091 H CB 0.355 29.982 29.762 -0.224 0.000 1.854 1091 H HN -0.060 nan 8.280 nan 0.000 0.551 1092 N N 1.288 119.920 118.700 -0.113 0.000 2.431 1092 N HA -0.004 4.736 4.740 -0.000 0.000 0.265 1092 N C -1.077 174.375 175.510 -0.097 0.000 1.184 1092 N CA 0.232 53.199 53.050 -0.138 0.000 0.943 1092 N CB 0.290 38.676 38.487 -0.169 0.000 1.080 1092 N HN 0.465 nan 8.380 nan 0.000 0.477 1093 Y N 1.367 121.519 120.300 -0.246 0.000 2.330 1093 Y HA 0.585 5.134 4.550 -0.000 0.000 0.336 1093 Y C 0.700 176.434 175.900 -0.277 0.000 1.036 1093 Y CA -0.035 57.913 58.100 -0.255 0.000 1.125 1093 Y CB 0.961 39.230 38.460 -0.318 0.000 1.194 1093 Y HN 0.587 nan 8.280 nan 0.000 0.469 1094 G N 2.006 110.377 108.800 -0.714 0.000 2.604 1094 G HA2 0.714 4.674 3.960 -0.000 0.000 0.242 1094 G HA3 0.714 4.674 3.960 -0.000 0.000 0.242 1094 G C -1.899 172.609 174.900 -0.653 0.000 1.208 1094 G CA -0.274 44.508 45.100 -0.530 0.000 0.912 1094 G HN 1.001 nan 8.290 nan 0.000 0.502 1095 A N -1.508 121.010 122.820 -0.503 0.000 2.588 1095 A HA 0.763 5.083 4.320 -0.000 0.000 0.290 1095 A C -2.107 175.243 177.584 -0.389 0.000 1.136 1095 A CA -0.577 51.159 52.037 -0.502 0.000 0.681 1095 A CB 1.149 19.929 19.000 -0.366 0.000 1.282 1095 A HN 0.755 nan 8.150 nan 0.000 0.421 1096 F N 1.582 121.343 119.950 -0.315 0.000 2.415 1096 F HA 0.529 5.056 4.527 -0.000 0.000 0.348 1096 F C -1.807 173.825 175.800 -0.280 0.000 1.119 1096 F CA -2.577 55.236 58.000 -0.312 0.000 1.069 1096 F CB 1.417 40.191 39.000 -0.376 0.000 1.124 1096 F HN 0.277 nan 8.300 nan 0.000 0.472 1097 P HA 0.028 nan 4.420 nan 0.000 0.273 1097 P C -0.830 176.305 177.300 -0.277 0.000 1.250 1097 P CA -0.001 63.008 63.100 -0.151 0.000 0.793 1097 P CB 0.632 32.235 31.700 -0.161 0.000 1.011 1098 Q N -2.571 116.925 119.800 -0.508 0.000 2.475 1098 Q HA -0.149 4.191 4.340 -0.000 0.000 0.280 1098 Q C -0.114 175.614 176.000 -0.454 0.000 1.234 1098 Q CA 0.982 55.894 55.803 -1.485 0.000 0.873 1098 Q CB -2.666 25.224 28.738 -1.415 0.000 1.256 1098 Q HN 0.794 nan 8.270 nan 0.000 0.475 1099 T N -3.620 110.967 114.554 0.055 0.000 2.896 1099 T HA 0.722 5.072 4.350 -0.000 0.000 0.297 1099 T C -1.507 173.580 174.700 0.646 0.000 1.108 1099 T CA -0.820 61.503 62.100 0.371 0.000 1.004 1099 T CB 2.395 71.380 68.868 0.194 0.000 1.159 1099 T HN 0.332 nan 8.240 nan 0.000 0.499 1100 W N 1.299 122.828 121.300 0.381 0.000 3.615 1100 W HA 0.454 5.114 4.660 -0.000 0.000 0.319 1100 W C -1.454 175.232 176.519 0.277 0.000 1.172 1100 W CA -0.806 56.763 57.345 0.374 0.000 1.240 1100 W CB 1.627 31.371 29.460 0.474 0.000 1.313 1100 W HN 0.710 nan 8.180 nan 0.000 0.487 1101 E N 3.913 124.127 120.200 0.023 0.000 1.893 1101 E HA 0.014 4.363 4.350 -0.000 0.000 0.269 1101 E C -0.275 176.020 176.600 -0.509 0.000 1.129 1101 E CA -0.100 56.233 56.400 -0.111 0.000 0.904 1101 E CB 0.485 30.136 29.700 -0.081 0.000 1.077 1101 E HN 0.298 nan 8.360 nan 0.000 0.407 1102 D N 4.313 124.422 120.400 -0.485 0.000 2.570 1102 D HA -0.072 4.567 4.640 -0.000 0.000 0.243 1102 D C -1.396 174.673 176.300 -0.386 0.000 1.171 1102 D CA -1.189 52.319 54.000 -0.821 0.000 0.879 1102 D CB 0.919 41.490 40.800 -0.383 0.000 1.143 1102 D HN 0.167 nan 8.370 nan 0.000 0.511 1103 P HA 0.006 nan 4.420 nan 0.000 0.251 1103 P C 0.461 177.723 177.300 -0.064 0.000 1.223 1103 P CA 0.140 63.148 63.100 -0.154 0.000 0.796 1103 P CB 0.550 32.203 31.700 -0.078 0.000 1.068 1104 N N 0.362 119.006 118.700 -0.093 0.000 2.422 1104 N HA 0.044 4.784 4.740 -0.000 0.000 0.181 1104 N C 0.836 176.330 175.510 -0.026 0.000 1.080 1104 N CA 0.574 53.612 53.050 -0.020 0.000 0.893 1104 N CB 0.611 39.111 38.487 0.022 0.000 0.973 1104 N HN 0.206 nan 8.380 nan 0.000 0.456 1105 V N -3.023 116.859 119.914 -0.053 0.000 3.007 1105 V HA 0.525 4.645 4.120 -0.000 0.000 0.311 1105 V C 0.005 176.075 176.094 -0.040 0.000 1.120 1105 V CA -1.128 61.128 62.300 -0.073 0.000 0.980 1105 V CB 1.911 33.647 31.823 -0.145 0.000 1.033 1105 V HN -0.131 nan 8.190 nan 0.000 0.429 1106 S N 0.952 116.644 115.700 -0.013 0.000 2.545 1106 S HA 0.519 4.989 4.470 -0.000 0.000 0.275 1106 S C -0.468 174.155 174.600 0.038 0.000 1.299 1106 S CA -0.258 57.992 58.200 0.083 0.000 1.048 1106 S CB -0.141 63.085 63.200 0.044 0.000 0.938 1106 S HN 0.905 nan 8.310 nan 0.000 0.496 1107 H N 5.049 124.128 119.070 0.014 0.000 2.562 1107 H HA 0.296 4.852 4.556 -0.000 0.000 0.314 1107 H C -1.690 173.683 175.328 0.075 0.000 1.079 1107 H CA -1.725 54.364 56.048 0.068 0.000 1.349 1107 H CB 0.698 30.535 29.762 0.123 0.000 1.432 1107 H HN 0.412 nan 8.280 nan 0.000 0.479 1108 P HA -0.216 nan 4.420 nan 0.000 0.216 1108 P C 0.797 178.206 177.300 0.182 0.000 1.157 1108 P CA 1.501 64.687 63.100 0.144 0.000 0.880 1108 P CB 0.454 32.231 31.700 0.128 0.000 0.791 1109 E N -1.172 119.205 120.200 0.294 0.000 2.106 1109 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 1109 E C 1.803 178.430 176.600 0.046 0.000 0.984 1109 E CA 1.920 58.531 56.400 0.352 0.000 0.806 1109 E CB -1.326 28.834 29.700 0.768 0.000 0.750 1109 E HN 0.421 nan 8.360 nan 0.000 0.458 1110 T N -3.873 110.682 114.554 0.001 0.000 2.990 1110 T HA 0.302 4.652 4.350 -0.000 0.000 0.250 1110 T C 1.150 175.785 174.700 -0.109 0.000 1.041 1110 T CA 0.375 62.362 62.100 -0.188 0.000 1.010 1110 T CB -0.076 68.595 68.868 -0.327 0.000 1.003 1110 T HN 0.195 nan 8.240 nan 0.000 0.499 1111 K N -0.022 120.373 120.400 -0.009 0.000 3.117 1111 K HA 0.200 4.519 4.320 -0.000 0.000 0.269 1111 K C 0.196 176.786 176.600 -0.015 0.000 1.098 1111 K CA 1.141 57.427 56.287 -0.000 0.000 0.785 1111 K CB -2.698 29.788 32.500 -0.024 0.000 1.242 1111 K HN 1.836 nan 8.250 nan 0.000 0.491 1112 A N -1.054 121.766 122.820 -0.001 0.000 2.594 1112 A HA 0.867 5.187 4.320 -0.000 0.000 0.295 1112 A C 0.400 178.008 177.584 0.040 0.000 1.071 1112 A CA -0.101 51.921 52.037 -0.025 0.000 0.685 1112 A CB 1.296 20.231 19.000 -0.109 0.000 1.285 1112 A HN 1.757 nan 8.150 nan 0.000 0.405 1113 V N 0.248 120.181 119.914 0.031 0.000 3.096 1113 V HA 0.660 4.780 4.120 -0.000 0.000 0.306 1113 V C 0.930 176.953 176.094 -0.118 0.000 1.088 1113 V CA 0.160 62.509 62.300 0.081 0.000 1.129 1113 V CB 0.311 32.149 31.823 0.025 0.000 1.014 1113 V HN 1.619 nan 8.190 nan 0.000 0.486 1114 G N 1.317 110.030 108.800 -0.145 0.000 2.634 1114 G HA2 0.278 4.237 3.960 -0.000 0.000 0.255 1114 G HA3 0.278 4.237 3.960 -0.000 0.000 0.255 1114 G C 0.391 175.179 174.900 -0.187 0.000 1.205 1114 G CA 0.270 45.163 45.100 -0.346 0.000 0.884 1114 G HN 1.121 nan 8.290 nan 0.000 0.549 1115 D N -1.031 119.277 120.400 -0.154 0.000 2.325 1115 D HA -0.060 4.580 4.640 -0.000 0.000 0.234 1115 D C 0.897 177.196 176.300 -0.002 0.000 1.122 1115 D CA -0.376 53.583 54.000 -0.068 0.000 0.850 1115 D CB -0.522 40.249 40.800 -0.048 0.000 0.921 1115 D HN 0.413 nan 8.370 nan 0.000 0.513 1116 N N 0.323 118.996 118.700 -0.045 0.000 2.721 1116 N HA -0.173 4.566 4.740 -0.000 0.000 0.249 1116 N C -1.469 174.250 175.510 0.349 0.000 1.072 1116 N CA 0.997 54.134 53.050 0.145 0.000 0.710 1116 N CB -0.768 37.867 38.487 0.247 0.000 0.993 1116 N HN 0.338 nan 8.380 nan 0.000 0.547 1117 D N -1.578 118.956 120.400 0.225 0.000 2.531 1117 D HA 0.450 5.090 4.640 -0.000 0.000 0.244 1117 D C -2.534 173.872 176.300 0.177 0.000 1.090 1117 D CA -1.383 52.734 54.000 0.195 0.000 0.989 1117 D CB 1.537 42.365 40.800 0.047 0.000 1.433 1117 D HN -0.061 nan 8.370 nan 0.000 0.492 1118 P HA 0.098 nan 4.420 nan 0.000 0.269 1118 P C 0.102 177.379 177.300 -0.038 0.000 1.217 1118 P CA -0.148 62.927 63.100 -0.041 0.000 0.783 1118 P CB 0.740 32.232 31.700 -0.347 0.000 0.898 1119 I N 1.941 122.504 120.570 -0.011 0.000 2.692 1119 I HA -0.008 4.162 4.170 -0.000 0.000 0.284 1119 I C 0.116 176.076 176.117 -0.261 0.000 1.159 1119 I CA 0.174 61.430 61.300 -0.073 0.000 1.423 1119 I CB 0.337 38.317 38.000 -0.034 0.000 1.380 1119 I HN 0.249 nan 8.210 nan 0.000 0.580 1120 D N 6.649 126.877 120.400 -0.287 0.000 2.255 1120 D HA 0.353 4.993 4.640 -0.000 0.000 0.249 1120 D C -0.654 175.256 176.300 -0.651 0.000 1.078 1120 D CA -0.037 53.673 54.000 -0.484 0.000 0.896 1120 D CB 1.925 42.499 40.800 -0.375 0.000 1.194 1120 D HN 0.141 nan 8.370 nan 0.000 0.429 1121 V N 2.257 121.663 119.914 -0.846 0.000 2.656 1121 V HA 0.352 4.471 4.120 -0.000 0.000 0.307 1121 V C -0.120 175.553 176.094 -0.702 0.000 1.051 1121 V CA -0.837 60.962 62.300 -0.835 0.000 0.893 1121 V CB 1.944 33.115 31.823 -1.086 0.000 0.999 1121 V HN 0.319 nan 8.190 nan 0.000 0.426 1122 L N 3.851 124.749 121.223 -0.542 0.000 2.294 1122 L HA 0.561 4.901 4.340 -0.000 0.000 0.283 1122 L C 0.040 176.698 176.870 -0.353 0.000 1.015 1122 L CA -0.263 54.295 54.840 -0.470 0.000 0.831 1122 L CB 1.425 43.082 42.059 -0.671 0.000 1.217 1122 L HN 0.594 nan 8.230 nan 0.000 0.420 1123 E N 4.779 124.819 120.200 -0.267 0.000 2.115 1123 E HA 0.162 4.512 4.350 -0.000 0.000 0.282 1123 E C 0.503 176.994 176.600 -0.181 0.000 0.987 1123 E CA -0.365 55.909 56.400 -0.210 0.000 0.797 1123 E CB 1.657 31.243 29.700 -0.189 0.000 1.086 1123 E HN 0.713 nan 8.360 nan 0.000 0.397 1124 I N 1.670 122.108 120.570 -0.220 0.000 3.812 1124 I HA 0.338 4.508 4.170 -0.000 0.000 0.320 1124 I C 0.875 176.826 176.117 -0.276 0.000 1.276 1124 I CA -0.503 60.615 61.300 -0.302 0.000 1.164 1124 I CB 0.118 37.797 38.000 -0.534 0.000 1.009 1124 I HN 0.283 nan 8.210 nan 0.000 0.431 1125 G N 2.171 110.885 108.800 -0.143 0.000 2.716 1125 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.251 1125 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.251 1125 G C 0.808 175.706 174.900 -0.004 0.000 1.224 1125 G CA 0.308 45.392 45.100 -0.027 0.000 0.891 1125 G HN 0.665 nan 8.290 nan 0.000 0.561 1126 E N -1.229 119.008 120.200 0.061 0.000 2.158 1126 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 1126 E C 0.670 177.279 176.600 0.016 0.000 0.982 1126 E CA 0.828 57.264 56.400 0.062 0.000 0.823 1126 E CB -0.210 29.549 29.700 0.097 0.000 0.766 1126 E HN 0.262 nan 8.360 nan 0.000 0.468 1127 T N 2.014 116.574 114.554 0.010 0.000 2.851 1127 T HA 0.275 4.625 4.350 -0.000 0.000 0.298 1127 T C 0.278 174.960 174.700 -0.030 0.000 0.977 1127 T CA -0.374 61.733 62.100 0.013 0.000 1.126 1127 T CB 0.813 69.699 68.868 0.029 0.000 0.916 1127 T HN 0.094 nan 8.240 nan 0.000 0.529 1128 I N 3.061 123.624 120.570 -0.012 0.000 2.471 1128 I HA 0.308 4.477 4.170 -0.000 0.000 0.286 1128 I C 1.038 177.157 176.117 0.004 0.000 1.079 1128 I CA -0.407 60.868 61.300 -0.043 0.000 1.398 1128 I CB 0.546 38.557 38.000 0.018 0.000 1.403 1128 I HN 0.691 nan 8.210 nan 0.000 0.530 1129 A N 7.008 129.801 122.820 -0.045 0.000 2.250 1129 A HA 0.573 4.893 4.320 -0.000 0.000 0.283 1129 A C -0.770 176.837 177.584 0.037 0.000 1.206 1129 A CA -0.068 51.938 52.037 -0.052 0.000 0.840 1129 A CB 0.431 19.330 19.000 -0.168 0.000 1.220 1129 A HN 0.694 nan 8.150 nan 0.000 0.505 1130 Y N -2.902 117.384 120.300 -0.022 0.000 2.536 1130 Y HA 0.642 5.192 4.550 -0.000 0.000 0.347 1130 Y C -0.022 175.872 175.900 -0.011 0.000 1.000 1130 Y CA -1.007 57.090 58.100 -0.003 0.000 1.051 1130 Y CB 0.328 38.798 38.460 0.016 0.000 1.259 1130 Y HN 0.459 nan 8.280 nan 0.000 0.468 1131 T N 2.685 117.331 114.554 0.154 0.000 2.902 1131 T HA 0.372 4.721 4.350 -0.000 0.000 0.301 1131 T C 1.163 175.917 174.700 0.090 0.000 1.012 1131 T CA 1.560 63.701 62.100 0.068 0.000 1.151 1131 T CB 0.106 69.053 68.868 0.133 0.000 0.946 1131 T HN 1.524 nan 8.240 nan 0.000 0.542 1132 G N 2.574 111.345 108.800 -0.049 0.000 2.195 1132 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.246 1132 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.246 1132 G C 0.145 174.988 174.900 -0.094 0.000 0.984 1132 G CA 0.239 45.321 45.100 -0.031 0.000 0.633 1132 G HN 0.866 nan 8.290 nan 0.000 0.525 1133 Q N 0.530 120.106 119.800 -0.373 0.000 2.337 1133 Q HA 0.464 4.804 4.340 -0.000 0.000 0.270 1133 Q C -0.320 175.476 176.000 -0.341 0.000 1.002 1133 Q CA -0.077 55.339 55.803 -0.644 0.000 0.888 1133 Q CB 0.897 28.739 28.738 -1.493 0.000 1.222 1133 Q HN 0.293 nan 8.270 nan 0.000 0.400 1134 V N 5.735 125.521 119.914 -0.214 0.000 2.313 1134 V HA 0.299 4.419 4.120 -0.000 0.000 0.278 1134 V C -0.489 175.541 176.094 -0.107 0.000 1.017 1134 V CA -0.501 61.681 62.300 -0.196 0.000 0.823 1134 V CB 0.952 32.595 31.823 -0.300 0.000 1.010 1134 V HN 0.800 nan 8.190 nan 0.000 0.443 1135 K N 3.832 124.165 120.400 -0.111 0.000 2.267 1135 K HA 0.747 5.067 4.320 -0.000 0.000 0.246 1135 K C -0.822 175.771 176.600 -0.013 0.000 0.954 1135 K CA -0.983 55.270 56.287 -0.056 0.000 0.824 1135 K CB 2.165 34.614 32.500 -0.085 0.000 1.167 1135 K HN 0.457 nan 8.250 nan 0.000 0.431 1136 Q N 1.440 121.246 119.800 0.011 0.000 2.278 1136 Q HA 0.366 4.705 4.340 -0.000 0.000 0.257 1136 Q C -0.458 175.567 176.000 0.041 0.000 0.928 1136 Q CA -0.982 54.838 55.803 0.028 0.000 0.932 1136 Q CB 1.811 30.562 28.738 0.021 0.000 1.221 1136 Q HN 0.582 nan 8.270 nan 0.000 0.434 1137 V N -0.754 119.214 119.914 0.089 0.000 3.102 1137 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 1137 V C -1.017 175.173 176.094 0.160 0.000 1.135 1137 V CA -1.204 61.162 62.300 0.110 0.000 1.022 1137 V CB 2.163 34.062 31.823 0.126 0.000 1.056 1137 V HN 0.598 nan 8.190 nan 0.000 0.436 1138 K N 1.916 122.392 120.400 0.126 0.000 2.159 1138 K HA 0.803 5.123 4.320 -0.000 0.000 0.266 1138 K C -0.182 176.522 176.600 0.174 0.000 0.975 1138 K CA -0.225 56.147 56.287 0.142 0.000 0.865 1138 K CB 1.974 34.520 32.500 0.076 0.000 1.087 1138 K HN 1.100 nan 8.250 nan 0.000 0.446 1139 A N 3.404 126.371 122.820 0.244 0.000 2.363 1139 A HA 0.305 4.625 4.320 -0.000 0.000 0.270 1139 A C 0.526 178.172 177.584 0.102 0.000 1.121 1139 A CA -0.366 51.772 52.037 0.169 0.000 0.800 1139 A CB 0.069 19.189 19.000 0.199 0.000 1.052 1139 A HN 0.852 nan 8.150 nan 0.000 0.493 1140 L N 1.884 123.137 121.223 0.050 0.000 2.577 1140 L HA 0.429 4.769 4.340 -0.000 0.000 0.225 1140 L C 1.188 178.079 176.870 0.035 0.000 1.053 1140 L CA 0.686 55.552 54.840 0.044 0.000 0.866 1140 L CB 0.224 42.300 42.059 0.027 0.000 1.132 1140 L HN 0.859 nan 8.230 nan 0.000 0.486 1141 G N -0.341 108.468 108.800 0.015 0.000 2.427 1141 G HA2 0.512 4.472 3.960 -0.000 0.000 0.306 1141 G HA3 0.512 4.472 3.960 -0.000 0.000 0.306 1141 G C -2.163 172.743 174.900 0.010 0.000 1.280 1141 G CA -0.310 44.800 45.100 0.017 0.000 0.837 1141 G HN -0.127 nan 8.290 nan 0.000 0.482 1142 I N -0.594 120.001 120.570 0.042 0.000 2.842 1142 I HA 0.619 4.789 4.170 -0.000 0.000 0.297 1142 I C -1.215 175.026 176.117 0.206 0.000 1.380 1142 I CA -1.123 60.242 61.300 0.108 0.000 1.018 1142 I CB 2.133 40.208 38.000 0.126 0.000 1.311 1142 I HN 0.555 nan 8.210 nan 0.000 0.439 1143 M N 6.027 125.789 119.600 0.269 0.000 2.383 1143 M HA 0.506 4.986 4.480 -0.000 0.000 0.325 1143 M C -0.171 176.371 176.300 0.403 0.000 1.092 1143 M CA -0.733 54.759 55.300 0.320 0.000 0.961 1143 M CB 1.997 34.741 32.600 0.240 0.000 1.672 1143 M HN 0.645 nan 8.290 nan 0.000 0.438 1144 A N 3.784 126.787 122.820 0.303 0.000 3.056 1144 A HA 0.398 4.718 4.320 -0.000 0.000 0.274 1144 A C -0.496 176.880 177.584 -0.347 0.000 1.661 1144 A CA -0.412 51.404 52.037 -0.369 0.000 1.363 1144 A CB -0.661 18.044 19.000 -0.491 0.000 1.139 1144 A HN 0.735 nan 8.150 nan 0.000 0.598 1145 L N 2.514 123.458 121.223 -0.466 0.000 2.367 1145 L HA 0.317 4.657 4.340 -0.000 0.000 0.275 1145 L C -0.467 176.012 176.870 -0.651 0.000 1.129 1145 L CA -0.047 54.250 54.840 -0.904 0.000 0.839 1145 L CB 0.588 42.142 42.059 -0.840 0.000 1.133 1145 L HN 0.388 nan 8.230 nan 0.000 0.453 1146 L N 5.141 126.010 121.223 -0.590 0.000 2.272 1146 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 1146 L C -0.568 176.121 176.870 -0.301 0.000 1.045 1146 L CA -0.174 54.432 54.840 -0.390 0.000 0.842 1146 L CB 0.583 42.458 42.059 -0.307 0.000 1.224 1146 L HN 0.653 nan 8.230 nan 0.000 0.430 1147 D N 4.094 124.356 120.400 -0.230 0.000 2.347 1147 D HA 0.140 4.780 4.640 -0.000 0.000 0.235 1147 D C 0.406 176.645 176.300 -0.101 0.000 1.149 1147 D CA 0.077 54.005 54.000 -0.118 0.000 0.850 1147 D CB 0.613 41.394 40.800 -0.031 0.000 1.061 1147 D HN 0.517 nan 8.370 nan 0.000 0.487 1148 E N 2.430 122.572 120.200 -0.097 0.000 2.360 1148 E HA -0.251 4.098 4.350 -0.000 0.000 0.238 1148 E C 0.824 177.371 176.600 -0.089 0.000 1.186 1148 E CA 0.530 56.877 56.400 -0.088 0.000 0.719 1148 E CB -1.413 28.242 29.700 -0.075 0.000 1.236 1148 E HN 0.910 nan 8.360 nan 0.000 0.386 1149 G N -0.114 108.621 108.800 -0.109 0.000 2.162 1149 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 1149 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 1149 G C -0.051 174.775 174.900 -0.122 0.000 0.976 1149 G CA 0.756 45.791 45.100 -0.108 0.000 0.655 1149 G HN 0.405 nan 8.290 nan 0.000 0.533 1150 E N 0.161 120.275 120.200 -0.143 0.000 2.227 1150 E HA 0.498 4.848 4.350 -0.000 0.000 0.268 1150 E C -0.300 176.152 176.600 -0.246 0.000 0.907 1150 E CA -0.696 55.606 56.400 -0.164 0.000 0.786 1150 E CB 1.245 30.871 29.700 -0.123 0.000 1.191 1150 E HN 0.059 nan 8.360 nan 0.000 0.411 1151 T N 1.926 116.291 114.554 -0.314 0.000 2.793 1151 T HA 0.026 4.376 4.350 -0.000 0.000 0.289 1151 T C -0.332 174.139 174.700 -0.381 0.000 0.956 1151 T CA 0.575 62.402 62.100 -0.455 0.000 1.177 1151 T CB -0.113 68.388 68.868 -0.613 0.000 0.897 1151 T HN 0.358 nan 8.240 nan 0.000 0.533 1152 D N 3.211 123.361 120.400 -0.417 0.000 2.849 1152 D HA 0.204 4.844 4.640 -0.000 0.000 0.314 1152 D C -0.590 175.570 176.300 -0.232 0.000 1.210 1152 D CA -0.672 53.176 54.000 -0.253 0.000 0.756 1152 D CB 0.065 40.745 40.800 -0.200 0.000 1.222 1152 D HN 0.487 nan 8.370 nan 0.000 0.521 1153 W N 1.890 123.097 121.300 -0.155 0.000 2.364 1153 W HA 0.091 4.751 4.660 -0.000 0.000 0.343 1153 W C 0.925 177.322 176.519 -0.205 0.000 1.237 1153 W CA 0.050 57.322 57.345 -0.122 0.000 1.319 1153 W CB 0.627 30.051 29.460 -0.060 0.000 1.179 1153 W HN -0.127 nan 8.180 nan 0.000 0.578 1154 K N 2.864 123.303 120.400 0.064 0.000 2.559 1154 K HA 0.344 4.664 4.320 -0.000 0.000 0.249 1154 K C -1.027 175.497 176.600 -0.126 0.000 0.958 1154 K CA -0.879 55.304 56.287 -0.174 0.000 0.901 1154 K CB 1.335 33.626 32.500 -0.349 0.000 1.124 1154 K HN 0.182 nan 8.250 nan 0.000 0.437 1155 V N 4.445 124.215 119.914 -0.240 0.000 2.583 1155 V HA 0.216 4.336 4.120 -0.000 0.000 0.287 1155 V C 0.560 176.491 176.094 -0.271 0.000 1.051 1155 V CA -0.559 61.599 62.300 -0.237 0.000 1.010 1155 V CB 0.797 32.402 31.823 -0.364 0.000 0.988 1155 V HN 0.466 nan 8.190 nan 0.000 0.478 1156 I N 4.462 124.928 120.570 -0.174 0.000 2.315 1156 I HA 0.711 4.880 4.170 -0.000 0.000 0.291 1156 I C 0.402 176.436 176.117 -0.139 0.000 1.006 1156 I CA 0.016 61.208 61.300 -0.181 0.000 1.265 1156 I CB 0.784 38.714 38.000 -0.118 0.000 1.387 1156 I HN 0.761 nan 8.210 nan 0.000 0.475 1157 A N 6.587 129.308 122.820 -0.165 0.000 2.569 1157 A HA 0.897 5.216 4.320 -0.000 0.000 0.290 1157 A C -1.441 176.085 177.584 -0.097 0.000 1.136 1157 A CA -0.513 51.472 52.037 -0.086 0.000 0.710 1157 A CB 2.180 21.152 19.000 -0.047 0.000 1.303 1157 A HN 0.513 nan 8.150 nan 0.000 0.413 1158 I N 0.292 120.840 120.570 -0.037 0.000 2.582 1158 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 1158 I C -0.850 175.263 176.117 -0.007 0.000 1.066 1158 I CA -0.317 60.960 61.300 -0.039 0.000 1.053 1158 I CB 1.909 39.903 38.000 -0.010 0.000 1.241 1158 I HN 0.682 nan 8.210 nan 0.000 0.421 1159 D N 6.619 127.007 120.400 -0.020 0.000 2.450 1159 D HA 0.028 4.668 4.640 -0.000 0.000 0.247 1159 D C 1.557 177.862 176.300 0.008 0.000 1.162 1159 D CA 0.220 54.216 54.000 -0.007 0.000 0.879 1159 D CB 0.827 41.616 40.800 -0.018 0.000 1.163 1159 D HN 0.600 nan 8.370 nan 0.000 0.472 1160 I N 1.157 121.735 120.570 0.014 0.000 2.850 1160 I HA -0.174 3.996 4.170 -0.000 0.000 0.266 1160 I C 0.948 177.071 176.117 0.010 0.000 1.257 1160 I CA 0.879 62.187 61.300 0.013 0.000 1.465 1160 I CB -0.337 37.669 38.000 0.012 0.000 1.091 1160 I HN 0.202 nan 8.210 nan 0.000 0.467 1161 N N 0.766 119.473 118.700 0.012 0.000 2.353 1161 N HA -0.014 4.725 4.740 -0.000 0.000 0.185 1161 N C 0.439 175.957 175.510 0.015 0.000 1.098 1161 N CA -0.131 52.927 53.050 0.014 0.000 0.872 1161 N CB 0.132 38.630 38.487 0.019 0.000 0.970 1161 N HN 0.421 nan 8.380 nan 0.000 0.467 1162 D N 1.206 121.615 120.400 0.016 0.000 2.424 1162 D HA 0.001 4.641 4.640 -0.000 0.000 0.244 1162 D C -1.626 174.682 176.300 0.014 0.000 1.134 1162 D CA -1.614 52.400 54.000 0.024 0.000 0.881 1162 D CB 1.377 42.200 40.800 0.039 0.000 1.191 1162 D HN -0.003 nan 8.370 nan 0.000 0.445 1163 P HA -0.108 nan 4.420 nan 0.000 0.218 1163 P C 1.130 178.409 177.300 -0.036 0.000 1.146 1163 P CA 0.971 64.067 63.100 -0.006 0.000 0.813 1163 P CB 0.217 31.917 31.700 0.001 0.000 0.778 1164 L N -2.381 118.820 121.223 -0.035 0.000 2.607 1164 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 1164 L C 2.175 178.994 176.870 -0.085 0.000 1.123 1164 L CA 0.103 54.876 54.840 -0.110 0.000 0.890 1164 L CB -0.574 41.408 42.059 -0.128 0.000 1.103 1164 L HN -0.073 nan 8.230 nan 0.000 0.468 1165 A N 1.418 124.223 122.820 -0.025 0.000 1.917 1165 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 1165 A C -0.190 177.377 177.584 -0.029 0.000 1.182 1165 A CA 1.747 53.778 52.037 -0.010 0.000 0.633 1165 A CB -1.596 17.405 19.000 0.002 0.000 0.819 1165 A HN 0.269 nan 8.150 nan 0.000 0.448 1166 P HA -0.126 nan 4.420 nan 0.000 0.218 1166 P C 1.058 178.325 177.300 -0.055 0.000 1.148 1166 P CA 1.461 64.538 63.100 -0.040 0.000 0.822 1166 P CB -0.017 31.660 31.700 -0.039 0.000 0.784 1167 K N -1.317 119.004 120.400 -0.131 0.000 2.426 1167 K HA 0.120 4.440 4.320 -0.000 0.000 0.193 1167 K C 0.294 176.828 176.600 -0.110 0.000 1.028 1167 K CA 0.164 56.341 56.287 -0.182 0.000 1.047 1167 K CB -0.031 32.165 32.500 -0.507 0.000 0.821 1167 K HN 0.169 nan 8.250 nan 0.000 0.513 1168 L N 1.956 123.143 121.223 -0.059 0.000 2.272 1168 L HA 0.212 4.552 4.340 -0.000 0.000 0.284 1168 L C 0.483 177.390 176.870 0.061 0.000 1.045 1168 L CA -0.345 54.527 54.840 0.054 0.000 0.842 1168 L CB 0.767 42.880 42.059 0.090 0.000 1.224 1168 L HN 0.107 nan 8.230 nan 0.000 0.430 1169 N N 0.441 119.189 118.700 0.080 0.000 2.297 1169 N HA 0.126 4.865 4.740 -0.000 0.000 0.208 1169 N C -0.333 175.218 175.510 0.069 0.000 1.176 1169 N CA 0.112 53.201 53.050 0.064 0.000 0.882 1169 N CB 1.359 39.878 38.487 0.054 0.000 1.134 1169 N HN 0.497 nan 8.380 nan 0.000 0.489 1170 D N -0.377 120.071 120.400 0.081 0.000 2.596 1170 D HA 0.199 4.839 4.640 -0.000 0.000 0.262 1170 D C 0.779 177.125 176.300 0.076 0.000 1.210 1170 D CA -0.675 53.366 54.000 0.069 0.000 0.873 1170 D CB 2.090 42.926 40.800 0.059 0.000 1.408 1170 D HN -0.253 nan 8.370 nan 0.000 0.441 1171 I N 1.730 122.334 120.570 0.057 0.000 2.236 1171 I HA -0.251 3.919 4.170 -0.000 0.000 0.249 1171 I C 1.571 177.727 176.117 0.065 0.000 1.102 1171 I CA 1.922 63.252 61.300 0.050 0.000 1.365 1171 I CB -0.098 37.915 38.000 0.023 0.000 1.051 1171 I HN 0.396 nan 8.210 nan 0.000 0.420 1172 E N 0.439 120.676 120.200 0.061 0.000 2.153 1172 E HA -0.206 4.143 4.350 -0.000 0.000 0.194 1172 E C 1.814 178.470 176.600 0.093 0.000 0.988 1172 E CA 1.357 57.792 56.400 0.059 0.000 0.811 1172 E CB -0.390 29.335 29.700 0.042 0.000 0.746 1172 E HN 0.535 nan 8.360 nan 0.000 0.466 1173 D N -0.250 120.237 120.400 0.145 0.000 2.264 1173 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 1173 D C 1.767 178.279 176.300 0.353 0.000 0.966 1173 D CA 0.534 54.689 54.000 0.258 0.000 0.864 1173 D CB 0.056 41.039 40.800 0.306 0.000 0.933 1173 D HN 0.084 nan 8.370 nan 0.000 0.499 1174 V N 0.889 120.969 119.914 0.276 0.000 2.358 1174 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 1174 V C 2.435 178.727 176.094 0.330 0.000 1.047 1174 V CA 1.559 64.073 62.300 0.356 0.000 1.035 1174 V CB -0.327 31.589 31.823 0.155 0.000 0.658 1174 V HN 0.074 nan 8.190 nan 0.000 0.452 1175 E N 0.631 120.933 120.200 0.170 0.000 2.152 1175 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 1175 E C 2.185 178.806 176.600 0.036 0.000 0.983 1175 E CA 1.296 57.759 56.400 0.104 0.000 0.818 1175 E CB -0.252 29.480 29.700 0.053 0.000 0.758 1175 E HN 0.542 nan 8.360 nan 0.000 0.467 1176 K N -1.163 119.224 120.400 -0.021 0.000 2.057 1176 K HA -0.148 4.171 4.320 -0.000 0.000 0.206 1176 K C 1.175 177.505 176.600 -0.450 0.000 1.050 1176 K CA 1.408 57.540 56.287 -0.259 0.000 0.935 1176 K CB -0.088 32.192 32.500 -0.366 0.000 0.715 1176 K HN 0.226 nan 8.250 nan 0.000 0.439 1177 Y N -1.618 118.655 120.300 -0.045 0.000 2.507 1177 Y HA 0.171 4.721 4.550 -0.000 0.000 0.263 1177 Y C 0.181 175.779 175.900 -0.504 0.000 1.093 1177 Y CA -0.130 57.793 58.100 -0.295 0.000 1.285 1177 Y CB 0.690 38.892 38.460 -0.429 0.000 1.115 1177 Y HN -0.104 nan 8.280 nan 0.000 0.533 1178 F N 1.971 122.006 119.950 0.142 0.000 2.627 1178 F HA 0.374 4.901 4.527 -0.000 0.000 0.329 1178 F C -2.486 173.351 175.800 0.062 0.000 1.378 1178 F CA -3.116 54.944 58.000 0.099 0.000 1.134 1178 F CB 0.098 39.156 39.000 0.095 0.000 1.229 1178 F HN -0.206 nan 8.300 nan 0.000 0.537 1179 P HA 0.071 nan 4.420 nan 0.000 0.262 1179 P C 0.985 178.351 177.300 0.110 0.000 1.182 1179 P CA 1.410 64.566 63.100 0.093 0.000 0.761 1179 P CB 1.210 32.932 31.700 0.036 0.000 0.795 1180 G N 2.442 111.300 108.800 0.096 0.000 2.268 1180 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.240 1180 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.240 1180 G C 0.678 175.642 174.900 0.107 0.000 1.010 1180 G CA 0.276 45.432 45.100 0.093 0.000 0.618 1180 G HN 0.545 nan 8.290 nan 0.000 0.516 1181 L N 1.102 122.405 121.223 0.134 0.000 2.012 1181 L HA 0.203 4.543 4.340 -0.000 0.000 0.210 1181 L C 2.759 179.686 176.870 0.095 0.000 1.073 1181 L CA 2.636 57.544 54.840 0.114 0.000 0.748 1181 L CB -0.565 41.569 42.059 0.125 0.000 0.891 1181 L HN 0.449 nan 8.230 nan 0.000 0.431 1182 L N -0.780 120.492 121.223 0.082 0.000 2.046 1182 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 1182 L C 3.091 179.982 176.870 0.035 0.000 1.077 1182 L CA 1.571 56.442 54.840 0.052 0.000 0.747 1182 L CB -0.884 41.192 42.059 0.028 0.000 0.896 1182 L HN 0.338 nan 8.230 nan 0.000 0.432 1183 R N 0.303 120.828 120.500 0.042 0.000 2.075 1183 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 1183 R C 2.291 178.635 176.300 0.072 0.000 1.126 1183 R CA 1.501 57.623 56.100 0.036 0.000 0.963 1183 R CB -1.560 28.767 30.300 0.045 0.000 0.858 1183 R HN 0.483 nan 8.270 nan 0.000 0.435 1184 A N 0.183 123.062 122.820 0.099 0.000 1.930 1184 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 1184 A C 2.517 180.157 177.584 0.093 0.000 1.175 1184 A CA 1.986 54.101 52.037 0.129 0.000 0.627 1184 A CB -0.736 18.348 19.000 0.140 0.000 0.815 1184 A HN 0.484 nan 8.150 nan 0.000 0.443 1185 T N 0.483 115.115 114.554 0.130 0.000 2.777 1185 T HA -0.153 4.196 4.350 -0.000 0.000 0.266 1185 T C 2.017 176.926 174.700 0.349 0.000 1.040 1185 T CA 1.273 63.540 62.100 0.278 0.000 1.141 1185 T CB -0.409 68.652 68.868 0.322 0.000 0.868 1185 T HN 0.677 nan 8.240 nan 0.000 0.444 1186 N N 1.327 120.101 118.700 0.123 0.000 2.084 1186 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 1186 N C 1.952 177.606 175.510 0.239 0.000 1.030 1186 N CA 1.695 54.719 53.050 -0.042 0.000 0.849 1186 N CB -0.150 38.176 38.487 -0.269 0.000 1.012 1186 N HN 0.594 nan 8.380 nan 0.000 0.423 1187 E N -0.595 119.718 120.200 0.189 0.000 2.051 1187 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 1187 E C 1.990 178.715 176.600 0.208 0.000 0.991 1187 E CA 0.967 57.488 56.400 0.202 0.000 0.799 1187 E CB -0.471 29.347 29.700 0.196 0.000 0.748 1187 E HN 0.478 nan 8.360 nan 0.000 0.449 1188 W N 0.266 121.532 121.300 -0.057 0.000 2.317 1188 W HA -0.236 4.424 4.660 -0.000 0.000 0.318 1188 W C 1.839 178.207 176.519 -0.251 0.000 1.227 1188 W CA 2.015 59.182 57.345 -0.298 0.000 1.269 1188 W CB -0.472 28.598 29.460 -0.651 0.000 1.155 1188 W HN 0.110 nan 8.180 nan 0.000 0.484 1189 F N 0.047 120.263 119.950 0.444 0.000 2.502 1189 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 1189 F C 2.382 178.376 175.800 0.323 0.000 1.111 1189 F CA 1.325 59.531 58.000 0.344 0.000 1.445 1189 F CB -0.683 38.528 39.000 0.352 0.000 1.081 1189 F HN -0.184 nan 8.300 nan 0.000 0.558 1190 R N 0.313 121.066 120.500 0.421 0.000 2.093 1190 R HA 0.005 4.345 4.340 -0.000 0.000 0.224 1190 R C 2.033 178.401 176.300 0.114 0.000 1.101 1190 R CA 1.618 57.878 56.100 0.266 0.000 0.979 1190 R CB -0.227 30.232 30.300 0.265 0.000 0.877 1190 R HN 0.410 nan 8.270 nan 0.000 0.441 1191 I N -2.187 118.412 120.570 0.049 0.000 4.070 1191 I HA 0.064 4.233 4.170 -0.000 0.000 0.328 1191 I C 1.645 177.636 176.117 -0.210 0.000 1.298 1191 I CA -0.147 61.111 61.300 -0.071 0.000 1.173 1191 I CB -0.093 37.877 38.000 -0.050 0.000 1.051 1191 I HN 0.003 nan 8.210 nan 0.000 0.409 1192 Y N 2.430 122.388 120.300 -0.569 0.000 2.384 1192 Y HA -0.003 4.547 4.550 -0.000 0.000 0.289 1192 Y C 1.679 177.278 175.900 -0.502 0.000 1.152 1192 Y CA 0.991 58.602 58.100 -0.816 0.000 1.258 1192 Y CB -0.854 36.613 38.460 -1.655 0.000 0.979 1192 Y HN 0.099 nan 8.280 nan 0.000 0.549 1193 K N 0.197 120.101 120.400 -0.826 0.000 2.358 1193 K HA 0.254 4.574 4.320 -0.000 0.000 0.197 1193 K C 1.627 177.991 176.600 -0.393 0.000 1.025 1193 K CA 0.249 56.130 56.287 -0.677 0.000 1.104 1193 K CB 0.131 32.198 32.500 -0.721 0.000 0.855 1193 K HN 0.363 nan 8.250 nan 0.000 0.531 1194 I N 1.794 122.174 120.570 -0.317 0.000 2.226 1194 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 1194 I C -0.973 174.997 176.117 -0.244 0.000 1.100 1194 I CA 1.194 62.363 61.300 -0.218 0.000 1.374 1194 I CB -0.866 37.046 38.000 -0.147 0.000 1.057 1194 I HN 0.012 nan 8.210 nan 0.000 0.413 1195 P HA -0.131 nan 4.420 nan 0.000 0.225 1195 P C 0.549 177.633 177.300 -0.359 0.000 1.148 1195 P CA 1.256 64.041 63.100 -0.524 0.000 0.779 1195 P CB -0.047 31.032 31.700 -1.035 0.000 0.780 1196 D N -1.949 118.278 120.400 -0.287 0.000 2.339 1196 D HA 0.141 4.781 4.640 -0.000 0.000 0.217 1196 D C 1.568 177.783 176.300 -0.141 0.000 1.050 1196 D CA 0.710 54.592 54.000 -0.196 0.000 0.856 1196 D CB -0.127 40.554 40.800 -0.199 0.000 0.922 1196 D HN 0.129 nan 8.370 nan 0.000 0.518 1197 G N 0.844 109.561 108.800 -0.137 0.000 2.175 1197 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 1197 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 1197 G C 0.424 175.264 174.900 -0.100 0.000 0.982 1197 G CA -0.077 44.966 45.100 -0.095 0.000 0.641 1197 G HN 0.234 nan 8.290 nan 0.000 0.527 1198 K N 1.040 121.358 120.400 -0.137 0.000 2.098 1198 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 1198 K C -2.034 174.494 176.600 -0.120 0.000 0.999 1198 K CA -1.686 54.521 56.287 -0.134 0.000 0.924 1198 K CB 0.660 33.049 32.500 -0.185 0.000 1.028 1198 K HN 0.097 nan 8.250 nan 0.000 0.466 1199 P HA 0.038 nan 4.420 nan 0.000 0.274 1199 P C -1.012 176.239 177.300 -0.083 0.000 1.246 1199 P CA -0.518 62.536 63.100 -0.076 0.000 0.795 1199 P CB 0.506 32.169 31.700 -0.062 0.000 1.006 1200 E N 1.522 121.688 120.200 -0.056 0.000 2.398 1200 E HA 0.012 4.362 4.350 -0.000 0.000 0.263 1200 E C -0.150 176.430 176.600 -0.033 0.000 1.046 1200 E CA -0.321 56.056 56.400 -0.037 0.000 0.908 1200 E CB 0.280 29.977 29.700 -0.006 0.000 0.963 1200 E HN 0.285 nan 8.360 nan 0.000 0.431 1201 N N 1.239 119.930 118.700 -0.015 0.000 2.364 1201 N HA 0.265 5.005 4.740 -0.000 0.000 0.264 1201 N C -0.371 175.121 175.510 -0.030 0.000 1.263 1201 N CA 0.111 53.134 53.050 -0.045 0.000 0.959 1201 N CB 1.192 39.651 38.487 -0.047 0.000 1.204 1201 N HN 0.694 nan 8.380 nan 0.000 0.550 1202 Q N -0.195 119.533 119.800 -0.121 0.000 2.495 1202 Q HA 0.713 5.052 4.340 -0.000 0.000 0.287 1202 Q C -1.688 174.182 176.000 -0.217 0.000 1.078 1202 Q CA -0.706 55.064 55.803 -0.055 0.000 0.793 1202 Q CB 1.391 30.098 28.738 -0.053 0.000 1.459 1202 Q HN 0.505 nan 8.270 nan 0.000 0.422 1203 F N 0.174 120.075 119.950 -0.082 0.000 2.563 1203 F HA 0.812 5.339 4.527 -0.000 0.000 0.316 1203 F C 0.746 176.427 175.800 -0.199 0.000 1.076 1203 F CA -0.610 57.311 58.000 -0.132 0.000 0.921 1203 F CB 2.482 41.447 39.000 -0.058 0.000 1.209 1203 F HN 0.868 nan 8.300 nan 0.000 0.462 1204 A N 1.081 123.802 122.820 -0.166 0.000 2.259 1204 A HA 0.609 4.928 4.320 -0.000 0.000 0.278 1204 A C -0.427 176.968 177.584 -0.314 0.000 1.107 1204 A CA -0.398 51.354 52.037 -0.474 0.000 0.828 1204 A CB -0.263 18.140 19.000 -0.994 0.000 1.111 1204 A HN 0.865 nan 8.150 nan 0.000 0.498 1205 F N -0.804 119.164 119.950 0.029 0.000 3.084 1205 F HA -0.244 4.283 4.527 -0.000 0.000 0.286 1205 F C 1.141 176.946 175.800 0.009 0.000 0.855 1205 F CA 0.898 58.907 58.000 0.016 0.000 1.091 1205 F CB -2.666 36.331 39.000 -0.006 0.000 1.177 1205 F HN 0.739 nan 8.300 nan 0.000 0.542 1206 S N -2.006 113.764 115.700 0.116 0.000 3.521 1206 S HA -0.006 4.464 4.470 -0.000 0.000 0.328 1206 S C 1.607 176.232 174.600 0.042 0.000 1.165 1206 S CA 1.167 59.413 58.200 0.076 0.000 0.941 1206 S CB -1.555 61.685 63.200 0.066 0.000 0.951 1206 S HN 2.371 nan 8.310 nan 0.000 0.539 1207 G N 0.445 109.276 108.800 0.052 0.000 2.159 1207 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.256 1207 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.256 1207 G C -0.221 174.596 174.900 -0.139 0.000 0.977 1207 G CA 0.647 45.638 45.100 -0.181 0.000 0.652 1207 G HN 0.987 nan 8.290 nan 0.000 0.531 1208 E N 0.606 120.818 120.200 0.020 0.000 2.413 1208 E HA 0.473 4.823 4.350 -0.000 0.000 0.263 1208 E C 0.647 177.241 176.600 -0.010 0.000 1.015 1208 E CA 0.084 56.483 56.400 -0.001 0.000 0.916 1208 E CB 0.479 30.187 29.700 0.013 0.000 0.947 1208 E HN 0.876 nan 8.360 nan 0.000 0.440 1209 A N 5.664 128.459 122.820 -0.042 0.000 2.316 1209 A HA 0.214 4.534 4.320 -0.000 0.000 0.311 1209 A C -0.291 177.252 177.584 -0.067 0.000 1.339 1209 A CA -0.746 51.274 52.037 -0.029 0.000 0.960 1209 A CB 0.413 19.397 19.000 -0.026 0.000 1.152 1209 A HN 0.492 nan 8.150 nan 0.000 0.547 1210 K N 1.903 122.230 120.400 -0.121 0.000 2.276 1210 K HA 0.055 4.375 4.320 -0.000 0.000 0.259 1210 K C 0.569 177.121 176.600 -0.081 0.000 1.001 1210 K CA -0.135 55.999 56.287 -0.254 0.000 0.927 1210 K CB 0.502 32.601 32.500 -0.669 0.000 0.969 1210 K HN 0.931 nan 8.250 nan 0.000 0.490 1211 N N 0.368 119.044 118.700 -0.040 0.000 2.327 1211 N HA -0.005 4.735 4.740 -0.000 0.000 0.257 1211 N C 0.796 176.348 175.510 0.069 0.000 1.281 1211 N CA -0.147 52.917 53.050 0.023 0.000 0.942 1211 N CB 0.409 38.912 38.487 0.027 0.000 1.199 1211 N HN 0.486 nan 8.380 nan 0.000 0.532 1212 K N -0.201 120.237 120.400 0.064 0.000 2.044 1212 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 1212 K C 1.690 178.339 176.600 0.081 0.000 1.049 1212 K CA 1.427 57.758 56.287 0.074 0.000 0.927 1212 K CB -0.140 32.403 32.500 0.071 0.000 0.713 1212 K HN 0.548 nan 8.250 nan 0.000 0.443 1213 K N -0.035 120.409 120.400 0.075 0.000 2.044 1213 K HA -0.239 4.081 4.320 -0.000 0.000 0.210 1213 K C 2.193 178.825 176.600 0.055 0.000 1.049 1213 K CA 1.864 58.186 56.287 0.059 0.000 0.927 1213 K CB -0.435 32.095 32.500 0.050 0.000 0.713 1213 K HN 0.273 nan 8.250 nan 0.000 0.443 1214 Y N 0.936 121.209 120.300 -0.045 0.000 2.145 1214 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 1214 Y C 2.179 178.004 175.900 -0.125 0.000 1.145 1214 Y CA 1.855 59.905 58.100 -0.083 0.000 1.148 1214 Y CB -0.533 37.871 38.460 -0.094 0.000 0.981 1214 Y HN 0.206 nan 8.280 nan 0.000 0.507 1215 A N 0.235 123.143 122.820 0.147 0.000 1.908 1215 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 1215 A C 2.305 179.853 177.584 -0.060 0.000 1.181 1215 A CA 1.926 53.973 52.037 0.017 0.000 0.627 1215 A CB -1.205 17.812 19.000 0.029 0.000 0.818 1215 A HN 0.554 nan 8.150 nan 0.000 0.445 1216 L N -0.606 120.621 121.223 0.006 0.000 2.079 1216 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 1216 L C 2.084 178.945 176.870 -0.014 0.000 1.081 1216 L CA 1.490 56.362 54.840 0.053 0.000 0.752 1216 L CB -0.717 41.404 42.059 0.105 0.000 0.896 1216 L HN 0.320 nan 8.230 nan 0.000 0.433 1217 D N 0.065 120.403 120.400 -0.104 0.000 2.117 1217 D HA -0.143 4.496 4.640 -0.000 0.000 0.198 1217 D C 2.253 178.431 176.300 -0.203 0.000 0.982 1217 D CA 1.053 54.959 54.000 -0.158 0.000 0.828 1217 D CB 0.033 40.675 40.800 -0.263 0.000 0.967 1217 D HN 0.148 nan 8.370 nan 0.000 0.464 1218 I N 0.935 121.306 120.570 -0.333 0.000 2.252 1218 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 1218 I C 2.505 178.477 176.117 -0.242 0.000 1.102 1218 I CA 0.702 61.749 61.300 -0.422 0.000 1.385 1218 I CB -0.896 36.596 38.000 -0.848 0.000 1.064 1218 I HN 0.041 nan 8.210 nan 0.000 0.414 1219 I N 0.815 121.275 120.570 -0.184 0.000 2.163 1219 I HA -0.338 3.832 4.170 -0.000 0.000 0.243 1219 I C 2.655 178.778 176.117 0.011 0.000 1.085 1219 I CA 1.457 62.691 61.300 -0.110 0.000 1.347 1219 I CB -0.477 37.396 38.000 -0.213 0.000 1.044 1219 I HN 0.236 nan 8.210 nan 0.000 0.408 1220 K N 1.165 121.597 120.400 0.053 0.000 2.103 1220 K HA -0.272 4.048 4.320 -0.000 0.000 0.207 1220 K C 2.110 178.804 176.600 0.157 0.000 1.048 1220 K CA 1.794 58.176 56.287 0.158 0.000 0.930 1220 K CB -0.125 32.452 32.500 0.128 0.000 0.716 1220 K HN 0.343 nan 8.250 nan 0.000 0.444 1221 E N 0.103 120.344 120.200 0.067 0.000 2.051 1221 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 1221 E C 1.761 178.450 176.600 0.148 0.000 0.991 1221 E CA 2.035 58.479 56.400 0.074 0.000 0.799 1221 E CB -0.146 29.561 29.700 0.012 0.000 0.748 1221 E HN 0.543 nan 8.360 nan 0.000 0.449 1222 T N -1.819 112.827 114.554 0.153 0.000 2.915 1222 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 1222 T C 1.838 176.762 174.700 0.374 0.000 1.071 1222 T CA 1.528 63.774 62.100 0.244 0.000 1.132 1222 T CB -0.468 68.512 68.868 0.186 0.000 0.878 1222 T HN 0.256 nan 8.240 nan 0.000 0.479 1223 H N 1.783 120.980 119.070 0.211 0.000 2.363 1223 H HA 0.053 4.609 4.556 -0.000 0.000 0.301 1223 H C 1.763 177.309 175.328 0.363 0.000 1.074 1223 H CA 1.556 57.769 56.048 0.275 0.000 1.354 1223 H CB -0.549 29.322 29.762 0.182 0.000 1.397 1223 H HN 0.280 nan 8.280 nan 0.000 0.516 1224 D N -0.821 119.718 120.400 0.232 0.000 2.144 1224 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 1224 D C 2.281 178.680 176.300 0.165 0.000 0.984 1224 D CA 1.255 55.327 54.000 0.121 0.000 0.834 1224 D CB -0.427 40.436 40.800 0.104 0.000 0.955 1224 D HN 0.328 nan 8.370 nan 0.000 0.465 1225 S N -0.487 115.371 115.700 0.263 0.000 2.368 1225 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 1225 S C 1.816 176.696 174.600 0.466 0.000 1.030 1225 S CA 1.277 59.689 58.200 0.354 0.000 0.999 1225 S CB -0.409 63.023 63.200 0.387 0.000 0.844 1225 S HN 0.479 nan 8.310 nan 0.000 0.459 1226 W N 1.985 123.470 121.300 0.308 0.000 2.388 1226 W HA 0.001 4.661 4.660 -0.000 0.000 0.294 1226 W C 2.004 178.529 176.519 0.010 0.000 1.212 1226 W CA 1.404 58.870 57.345 0.201 0.000 1.271 1226 W CB -0.259 29.366 29.460 0.275 0.000 1.126 1226 W HN 0.217 nan 8.180 nan 0.000 0.535 1227 K N -0.014 120.354 120.400 -0.053 0.000 2.103 1227 K HA -0.295 4.025 4.320 -0.000 0.000 0.207 1227 K C 2.157 178.537 176.600 -0.367 0.000 1.048 1227 K CA 1.933 58.003 56.287 -0.362 0.000 0.930 1227 K CB -0.480 31.937 32.500 -0.138 0.000 0.716 1227 K HN 0.365 nan 8.250 nan 0.000 0.444 1228 Q N 1.003 120.699 119.800 -0.173 0.000 2.046 1228 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 1228 Q C 2.236 178.103 176.000 -0.222 0.000 0.975 1228 Q CA 1.099 56.825 55.803 -0.128 0.000 0.836 1228 Q CB -0.046 28.700 28.738 0.014 0.000 0.896 1228 Q HN 0.225 nan 8.270 nan 0.000 0.428 1229 L N 0.688 121.746 121.223 -0.276 0.000 1.970 1229 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 1229 L C 2.235 178.734 176.870 -0.618 0.000 1.071 1229 L CA 1.710 56.261 54.840 -0.481 0.000 0.751 1229 L CB -0.749 40.850 42.059 -0.767 0.000 0.889 1229 L HN 0.385 nan 8.230 nan 0.000 0.432 1230 I N 0.047 120.073 120.570 -0.907 0.000 2.567 1230 I HA -0.154 4.016 4.170 -0.000 0.000 0.257 1230 I C 2.190 177.963 176.117 -0.573 0.000 1.184 1230 I CA 1.365 62.116 61.300 -0.915 0.000 1.451 1230 I CB -0.624 36.530 38.000 -1.410 0.000 1.089 1230 I HN 0.362 nan 8.210 nan 0.000 0.441 1231 A N -0.210 122.328 122.820 -0.469 0.000 2.208 1231 A HA 0.373 4.693 4.320 -0.000 0.000 0.209 1231 A C 1.888 179.334 177.584 -0.230 0.000 1.161 1231 A CA 0.612 52.470 52.037 -0.299 0.000 0.782 1231 A CB -1.010 17.846 19.000 -0.239 0.000 0.816 1231 A HN 0.771 nan 8.150 nan 0.000 0.477 1232 G N -0.494 108.151 108.800 -0.259 0.000 2.147 1232 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 1232 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 1232 G C 0.527 175.347 174.900 -0.135 0.000 1.005 1232 G CA 0.678 45.664 45.100 -0.190 0.000 0.713 1232 G HN 0.555 nan 8.290 nan 0.000 0.515 1233 K N 0.091 120.410 120.400 -0.134 0.000 2.440 1233 K HA 0.321 4.641 4.320 -0.000 0.000 0.206 1233 K C 1.162 177.741 176.600 -0.034 0.000 1.025 1233 K CA 0.404 56.645 56.287 -0.078 0.000 1.135 1233 K CB 0.778 33.231 32.500 -0.077 0.000 0.856 1233 K HN 0.287 nan 8.250 nan 0.000 0.502 1234 S N 0.538 116.221 115.700 -0.028 0.000 2.617 1234 S HA 0.052 4.522 4.470 -0.000 0.000 0.269 1234 S C 1.352 175.985 174.600 0.055 0.000 1.292 1234 S CA -0.470 57.770 58.200 0.068 0.000 1.010 1234 S CB 1.122 64.401 63.200 0.133 0.000 0.944 1234 S HN 0.333 nan 8.310 nan 0.000 0.536 1235 S N 1.389 117.140 115.700 0.084 0.000 2.489 1235 S HA 0.096 4.566 4.470 -0.000 0.000 0.228 1235 S C 0.083 174.724 174.600 0.069 0.000 0.995 1235 S CA 0.424 58.658 58.200 0.058 0.000 0.934 1235 S CB -0.184 63.047 63.200 0.052 0.000 0.771 1235 S HN 0.758 nan 8.310 nan 0.000 0.522 1236 D N 0.710 121.180 120.400 0.118 0.000 2.419 1236 D HA 0.182 4.822 4.640 -0.000 0.000 0.219 1236 D C 0.114 176.531 176.300 0.195 0.000 1.349 1236 D CA -0.062 54.012 54.000 0.123 0.000 0.964 1236 D CB 1.329 42.202 40.800 0.121 0.000 1.463 1236 D HN 0.110 nan 8.370 nan 0.000 0.573 1237 S N 2.406 118.158 115.700 0.086 0.000 2.650 1237 S HA -0.019 4.451 4.470 -0.000 0.000 0.219 1237 S C 0.744 175.400 174.600 0.092 0.000 0.960 1237 S CA -0.241 57.964 58.200 0.007 0.000 0.925 1237 S CB -0.134 62.982 63.200 -0.141 0.000 0.775 1237 S HN 0.454 nan 8.310 nan 0.000 0.525 1238 K N 0.712 121.202 120.400 0.150 0.000 3.012 1238 K HA -0.201 4.118 4.320 -0.000 0.000 0.259 1238 K C 0.978 177.643 176.600 0.107 0.000 0.989 1238 K CA 0.737 57.116 56.287 0.153 0.000 0.728 1238 K CB -2.663 29.983 32.500 0.244 0.000 1.260 1238 K HN 1.194 nan 8.250 nan 0.000 0.480 1239 G N -0.063 108.774 108.800 0.062 0.000 2.168 1239 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.257 1239 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.257 1239 G C 0.369 175.300 174.900 0.052 0.000 0.997 1239 G CA 0.436 45.565 45.100 0.047 0.000 0.708 1239 G HN 0.473 nan 8.290 nan 0.000 0.520 1240 I N 0.855 121.452 120.570 0.046 0.000 2.648 1240 I HA 0.114 4.284 4.170 -0.000 0.000 0.284 1240 I C 0.468 176.598 176.117 0.022 0.000 1.153 1240 I CA -0.285 61.053 61.300 0.063 0.000 1.426 1240 I CB 0.639 38.652 38.000 0.022 0.000 1.381 1240 I HN 0.022 nan 8.210 nan 0.000 0.571 1241 D N 7.001 127.448 120.400 0.080 0.000 2.336 1241 D HA 0.156 4.796 4.640 -0.000 0.000 0.249 1241 D C 0.396 176.751 176.300 0.091 0.000 1.213 1241 D CA 0.008 54.047 54.000 0.065 0.000 0.870 1241 D CB 0.964 41.819 40.800 0.093 0.000 1.076 1241 D HN 0.381 nan 8.370 nan 0.000 0.483 1242 L N 2.980 124.156 121.223 -0.078 0.000 2.653 1242 L HA 0.112 4.452 4.340 -0.000 0.000 0.231 1242 L C 0.828 177.576 176.870 -0.203 0.000 1.153 1242 L CA -0.112 54.529 54.840 -0.331 0.000 0.933 1242 L CB -0.097 41.700 42.059 -0.436 0.000 1.175 1242 L HN 0.212 nan 8.230 nan 0.000 0.473 1243 T N 1.996 116.545 114.554 -0.009 0.000 2.902 1243 T HA 0.186 4.536 4.350 -0.000 0.000 0.301 1243 T C 0.096 174.863 174.700 0.112 0.000 1.012 1243 T CA 0.050 62.166 62.100 0.026 0.000 1.151 1243 T CB 0.274 69.166 68.868 0.040 0.000 0.946 1243 T HN 0.500 nan 8.240 nan 0.000 0.542 1244 N N -0.351 118.400 118.700 0.086 0.000 2.525 1244 N HA 0.497 5.236 4.740 -0.000 0.000 0.270 1244 N C -0.139 175.433 175.510 0.104 0.000 1.321 1244 N CA -1.086 52.063 53.050 0.164 0.000 0.797 1244 N CB 1.496 40.115 38.487 0.220 0.000 1.529 1244 N HN 0.294 nan 8.380 nan 0.000 0.491 1245 V N -3.594 116.401 119.914 0.135 0.000 3.253 1245 V HA 0.405 4.525 4.120 -0.000 0.000 0.320 1245 V C 0.532 176.791 176.094 0.276 0.000 1.442 1245 V CA 0.796 63.131 62.300 0.057 0.000 1.097 1245 V CB -0.342 31.490 31.823 0.015 0.000 1.008 1245 V HN 0.986 nan 8.190 nan 0.000 0.463 1246 T N -1.960 112.809 114.554 0.359 0.000 3.087 1246 T HA 0.440 4.790 4.350 -0.000 0.000 0.283 1246 T C 0.226 175.059 174.700 0.222 0.000 0.956 1246 T CA 0.027 62.309 62.100 0.304 0.000 0.894 1246 T CB -0.142 68.853 68.868 0.212 0.000 1.160 1246 T HN 0.358 nan 8.240 nan 0.000 0.532 1247 L N 2.527 123.897 121.223 0.245 0.000 2.506 1247 L HA 0.441 4.781 4.340 -0.000 0.000 0.247 1247 L C -1.952 174.730 176.870 -0.313 0.000 1.141 1247 L CA -2.263 52.597 54.840 0.033 0.000 0.973 1247 L CB 1.203 43.329 42.059 0.111 0.000 1.319 1247 L HN -0.086 nan 8.230 nan 0.000 0.455 1248 P HA -0.098 nan 4.420 nan 0.000 0.230 1248 P C 0.315 177.266 177.300 -0.581 0.000 1.158 1248 P CA 0.887 63.146 63.100 -1.402 0.000 0.769 1248 P CB 0.412 31.528 31.700 -0.974 0.000 0.807 1249 D N -0.315 119.899 120.400 -0.310 0.000 2.340 1249 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 1249 D C 0.814 177.034 176.300 -0.132 0.000 1.081 1249 D CA 0.537 54.431 54.000 -0.178 0.000 0.842 1249 D CB 0.113 40.835 40.800 -0.130 0.000 0.934 1249 D HN 0.276 nan 8.370 nan 0.000 0.511 1250 T N -1.968 112.513 114.554 -0.122 0.000 2.907 1250 T HA 0.325 4.675 4.350 -0.000 0.000 0.284 1250 T C -1.900 172.773 174.700 -0.046 0.000 1.004 1250 T CA -1.722 60.317 62.100 -0.102 0.000 1.063 1250 T CB 2.353 71.151 68.868 -0.117 0.000 0.992 1250 T HN -0.320 nan 8.240 nan 0.000 0.483 1251 P HA -0.044 nan 4.420 nan 0.000 0.218 1251 P C 1.245 178.532 177.300 -0.021 0.000 1.148 1251 P CA 1.011 64.082 63.100 -0.047 0.000 0.822 1251 P CB -0.118 31.535 31.700 -0.078 0.000 0.784 1252 T N -5.670 108.859 114.554 -0.041 0.000 3.206 1252 T HA 0.077 4.427 4.350 -0.000 0.000 0.253 1252 T C 0.173 174.891 174.700 0.030 0.000 1.042 1252 T CA -0.567 61.514 62.100 -0.033 0.000 0.931 1252 T CB -1.145 67.663 68.868 -0.100 0.000 1.029 1252 T HN -0.054 nan 8.240 nan 0.000 0.564 1253 Y N 2.412 122.677 120.300 -0.059 0.000 2.526 1253 Y HA 0.425 4.975 4.550 -0.000 0.000 0.330 1253 Y C 0.215 176.106 175.900 -0.015 0.000 1.156 1253 Y CA -0.518 57.565 58.100 -0.028 0.000 1.419 1253 Y CB 0.523 38.969 38.460 -0.024 0.000 1.250 1253 Y HN 0.233 nan 8.280 nan 0.000 0.540 1254 S N 6.326 121.704 115.700 -0.537 0.000 2.357 1254 S HA 0.228 4.697 4.470 -0.000 0.000 0.209 1254 S C 0.169 174.510 174.600 -0.432 0.000 0.981 1254 S CA -0.824 57.115 58.200 -0.435 0.000 1.106 1254 S CB 0.220 63.313 63.200 -0.178 0.000 1.266 1254 S HN 0.898 nan 8.310 nan 0.000 0.410 1255 K N 1.905 121.967 120.400 -0.562 0.000 2.211 1255 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 1255 K C 2.158 178.663 176.600 -0.158 0.000 1.047 1255 K CA 1.403 57.507 56.287 -0.304 0.000 0.935 1255 K CB -0.174 32.197 32.500 -0.215 0.000 0.728 1255 K HN 0.671 nan 8.250 nan 0.000 0.452 1256 A N 1.477 124.211 122.820 -0.143 0.000 2.076 1256 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 1256 A C 2.310 179.850 177.584 -0.074 0.000 1.160 1256 A CA 1.620 53.604 52.037 -0.088 0.000 0.653 1256 A CB -0.520 18.435 19.000 -0.074 0.000 0.801 1256 A HN 0.340 nan 8.150 nan 0.000 0.455 1257 A N -0.605 122.166 122.820 -0.081 0.000 1.940 1257 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 1257 A C 2.442 179.997 177.584 -0.048 0.000 1.176 1257 A CA 2.129 54.136 52.037 -0.049 0.000 0.631 1257 A CB -0.894 18.088 19.000 -0.030 0.000 0.814 1257 A HN 0.565 nan 8.150 nan 0.000 0.446 1258 S N -0.093 115.577 115.700 -0.050 0.000 2.356 1258 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 1258 S C 1.558 176.114 174.600 -0.073 0.000 1.032 1258 S CA 1.596 59.767 58.200 -0.050 0.000 1.005 1258 S CB -0.538 62.645 63.200 -0.028 0.000 0.867 1258 S HN 0.641 nan 8.310 nan 0.000 0.449 1259 D N 1.146 121.509 120.400 -0.062 0.000 2.310 1259 D HA 0.032 4.672 4.640 -0.000 0.000 0.212 1259 D C 1.892 178.153 176.300 -0.066 0.000 0.965 1259 D CA 0.915 54.879 54.000 -0.059 0.000 0.879 1259 D CB -0.178 40.594 40.800 -0.046 0.000 0.921 1259 D HN 0.534 nan 8.370 nan 0.000 0.510 1260 A N 0.882 123.660 122.820 -0.070 0.000 2.067 1260 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 1260 A C 1.151 178.677 177.584 -0.097 0.000 1.156 1260 A CA 0.098 52.096 52.037 -0.065 0.000 0.683 1260 A CB -0.030 18.942 19.000 -0.047 0.000 0.808 1260 A HN 0.037 nan 8.150 nan 0.000 0.455 1261 I N 2.141 122.614 120.570 -0.161 0.000 2.618 1261 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 1261 I C -1.883 174.111 176.117 -0.205 0.000 1.146 1261 I CA -2.562 58.568 61.300 -0.284 0.000 1.425 1261 I CB -0.354 37.323 38.000 -0.539 0.000 1.383 1261 I HN 0.154 nan 8.210 nan 0.000 0.562 1262 P HA 0.234 nan 4.420 nan 0.000 0.272 1262 P C -2.581 174.664 177.300 -0.091 0.000 1.240 1262 P CA -1.031 62.017 63.100 -0.088 0.000 0.791 1262 P CB -0.334 31.342 31.700 -0.040 0.000 0.978 1263 P HA 0.097 nan 4.420 nan 0.000 0.273 1263 P C -0.366 176.929 177.300 -0.007 0.000 1.250 1263 P CA -0.206 62.876 63.100 -0.031 0.000 0.793 1263 P CB 0.268 31.958 31.700 -0.016 0.000 1.011 1264 A N 1.251 124.077 122.820 0.009 0.000 2.483 1264 A HA 0.343 4.663 4.320 -0.000 0.000 0.238 1264 A C 0.714 178.321 177.584 0.039 0.000 1.070 1264 A CA 0.442 52.501 52.037 0.036 0.000 0.770 1264 A CB -0.672 18.352 19.000 0.039 0.000 1.008 1264 A HN 0.571 nan 8.150 nan 0.000 0.497 1265 S N 2.043 117.777 115.700 0.057 0.000 2.598 1265 S HA 0.285 4.754 4.470 -0.000 0.000 0.209 1265 S C -0.427 174.215 174.600 0.071 0.000 1.029 1265 S CA -0.423 57.810 58.200 0.054 0.000 1.172 1265 S CB -0.664 62.567 63.200 0.052 0.000 1.427 1265 S HN 0.825 nan 8.310 nan 0.000 0.418 1266 L N 2.291 123.557 121.223 0.071 0.000 2.499 1266 L HA 0.392 4.732 4.340 -0.000 0.000 0.273 1266 L C -0.252 176.657 176.870 0.065 0.000 1.195 1266 L CA 0.453 55.343 54.840 0.083 0.000 0.882 1266 L CB 0.416 42.518 42.059 0.073 0.000 1.133 1266 L HN 0.439 nan 8.230 nan 0.000 0.483 1267 K N 3.892 124.334 120.400 0.071 0.000 2.400 1267 K HA 0.671 4.990 4.320 -0.000 0.000 0.246 1267 K C -0.690 175.930 176.600 0.034 0.000 0.995 1267 K CA -0.940 55.375 56.287 0.048 0.000 0.840 1267 K CB 1.677 34.206 32.500 0.049 0.000 1.293 1267 K HN 0.673 nan 8.250 nan 0.000 0.445 1268 A N 1.320 124.153 122.820 0.021 0.000 2.483 1268 A HA 0.063 4.383 4.320 -0.000 0.000 0.238 1268 A C -0.526 177.055 177.584 -0.005 0.000 1.070 1268 A CA -0.073 51.970 52.037 0.010 0.000 0.770 1268 A CB -0.143 18.863 19.000 0.009 0.000 1.008 1268 A HN 0.652 nan 8.150 nan 0.000 0.497 1269 D N 0.678 121.067 120.400 -0.018 0.000 2.506 1269 D HA 0.364 5.004 4.640 -0.000 0.000 0.234 1269 D C 0.574 176.858 176.300 -0.025 0.000 1.143 1269 D CA 1.406 55.380 54.000 -0.044 0.000 0.871 1269 D CB 0.572 41.351 40.800 -0.034 0.000 1.190 1269 D HN 0.742 nan 8.370 nan 0.000 0.459 1270 A N 3.433 126.234 122.820 -0.031 0.000 2.302 1270 A HA 0.546 4.866 4.320 -0.000 0.000 0.285 1270 A C -2.140 175.447 177.584 0.006 0.000 1.105 1270 A CA -1.162 50.873 52.037 -0.003 0.000 0.816 1270 A CB 0.292 19.296 19.000 0.008 0.000 1.067 1270 A HN 0.416 nan 8.150 nan 0.000 0.489 1271 P HA 0.324 nan 4.420 nan 0.000 0.272 1271 P C -0.867 176.433 177.300 -0.001 0.000 1.230 1271 P CA 0.156 63.255 63.100 -0.001 0.000 0.788 1271 P CB 0.674 32.371 31.700 -0.005 0.000 0.949 1272 I N 0.808 121.352 120.570 -0.043 0.000 2.441 1272 I HA 0.183 4.352 4.170 -0.000 0.000 0.295 1272 I C 0.673 176.691 176.117 -0.166 0.000 0.994 1272 I CA -0.797 60.421 61.300 -0.136 0.000 1.144 1272 I CB 1.263 39.117 38.000 -0.242 0.000 1.314 1272 I HN 0.317 nan 8.210 nan 0.000 0.445 1273 D N 5.276 125.561 120.400 -0.191 0.000 2.586 1273 D HA -0.071 4.569 4.640 -0.000 0.000 0.234 1273 D C 1.063 177.279 176.300 -0.139 0.000 1.132 1273 D CA 0.323 54.246 54.000 -0.128 0.000 0.860 1273 D CB 0.888 41.629 40.800 -0.099 0.000 1.159 1273 D HN 0.302 nan 8.370 nan 0.000 0.490 1274 K N 1.876 122.228 120.400 -0.081 0.000 2.360 1274 K HA -0.132 4.188 4.320 -0.000 0.000 0.201 1274 K C 1.937 178.504 176.600 -0.055 0.000 1.046 1274 K CA 0.885 57.132 56.287 -0.066 0.000 0.940 1274 K CB -0.462 32.011 32.500 -0.044 0.000 0.748 1274 K HN 0.566 nan 8.250 nan 0.000 0.465 1275 S N 0.843 116.516 115.700 -0.045 0.000 2.447 1275 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 1275 S C 1.798 176.405 174.600 0.012 0.000 1.006 1275 S CA 0.518 58.715 58.200 -0.004 0.000 0.957 1275 S CB -0.230 62.983 63.200 0.022 0.000 0.773 1275 S HN 0.078 nan 8.310 nan 0.000 0.507 1276 I N 2.743 123.273 120.570 -0.066 0.000 2.916 1276 I HA -0.046 4.124 4.170 -0.000 0.000 0.267 1276 I C 1.404 177.526 176.117 0.009 0.000 1.263 1276 I CA 0.661 61.926 61.300 -0.058 0.000 1.471 1276 I CB -1.461 36.360 38.000 -0.298 0.000 1.089 1276 I HN 0.215 nan 8.210 nan 0.000 0.468 1277 D N 1.137 121.524 120.400 -0.022 0.000 2.144 1277 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 1277 D C 1.321 177.611 176.300 -0.018 0.000 0.978 1277 D CA 0.610 54.585 54.000 -0.042 0.000 0.833 1277 D CB -0.118 40.644 40.800 -0.064 0.000 0.961 1277 D HN 0.256 nan 8.370 nan 0.000 0.470 1278 K N 0.364 120.781 120.400 0.028 0.000 2.543 1278 K HA -0.136 4.183 4.320 -0.000 0.000 0.279 1278 K C -0.633 176.049 176.600 0.136 0.000 1.001 1278 K CA 0.092 56.388 56.287 0.014 0.000 1.088 1278 K CB 0.318 32.757 32.500 -0.102 0.000 0.863 1278 K HN -0.021 nan 8.250 nan 0.000 0.488 1279 W N 6.449 127.700 121.300 -0.083 0.000 2.314 1279 W HA 0.291 4.951 4.660 -0.000 0.000 0.310 1279 W C -1.231 175.218 176.519 -0.116 0.000 1.075 1279 W CA -1.257 56.076 57.345 -0.020 0.000 1.253 1279 W CB 0.123 29.589 29.460 0.010 0.000 1.238 1279 W HN 0.400 nan 8.180 nan 0.000 0.440 1280 F N 5.169 125.233 119.950 0.190 0.000 2.394 1280 F HA 0.328 4.854 4.527 -0.000 0.000 0.340 1280 F C -0.144 175.543 175.800 -0.188 0.000 1.105 1280 F CA -0.422 57.622 58.000 0.074 0.000 1.124 1280 F CB 0.546 39.581 39.000 0.059 0.000 1.145 1280 F HN -0.019 nan 8.300 nan 0.000 0.505 1281 F N 4.458 124.445 119.950 0.062 0.000 2.291 1281 F HA 0.444 4.970 4.527 -0.000 0.000 0.368 1281 F C 0.259 176.073 175.800 0.025 0.000 1.085 1281 F CA -0.589 57.388 58.000 -0.039 0.000 1.165 1281 F CB 0.081 38.964 39.000 -0.195 0.000 1.429 1281 F HN 0.214 nan 8.300 nan 0.000 0.503 1282 I N 0.000 120.644 120.570 0.124 0.000 2.984 1282 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1282 I CA 0.000 61.354 61.300 0.090 0.000 1.566 1282 I CB 0.000 38.023 38.000 0.039 0.000 1.214 1282 I HN 0.000 nan 8.210 nan 0.000 0.494