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 3c9i_1_F DATA FIRST_RESID 1001 DATA SEQUENCE MADPSLNNPV VIQATRLDAS ILPRNVFSKS YLLYVIAQGT DVGAIAGKAN DATA SEQUENCE EAGQGAYDAQ VKNDEQDVEL ADHEARIKQL RIDVDDHESR ITANTKAITA DATA SEQUENCE LNVRVTTAEG EIASLQTNVS ALDGRVTTAE NNISALQADY VSKTATTSQS DATA SEQUENCE LASPLNVTTS YSVGGKKVVG ARQTGWTAAT GTANKGVFDA XXXXXXXXXX DATA SEQUENCE XXSEIQAIAN ALITERRRTK AMEDALRAHG LID 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.301 176.300 0.002 0.000 1.140 1001 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1001 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 1002 A N 1.501 124.308 122.820 -0.022 0.000 2.587 1002 A HA 0.131 4.450 4.320 -0.001 0.000 0.235 1002 A C -0.403 177.252 177.584 0.118 0.000 1.044 1002 A CA 0.697 52.726 52.037 -0.013 0.000 0.754 1002 A CB -0.262 18.621 19.000 -0.195 0.000 0.968 1002 A HN 0.612 nan 8.150 nan 0.000 0.509 1003 D N 3.067 123.577 120.400 0.183 0.000 2.428 1003 D HA 0.366 5.006 4.640 -0.001 0.000 0.221 1003 D C -1.746 174.694 176.300 0.234 0.000 1.123 1003 D CA -2.064 52.040 54.000 0.173 0.000 0.869 1003 D CB 1.123 41.986 40.800 0.105 0.000 1.032 1003 D HN 0.128 nan 8.370 nan 0.000 0.506 1004 P HA -0.117 nan 4.420 nan 0.000 0.218 1004 P C 1.340 178.525 177.300 -0.192 0.000 1.146 1004 P CA 0.786 63.830 63.100 -0.094 0.000 0.813 1004 P CB 0.337 32.018 31.700 -0.031 0.000 0.778 1005 S N -0.480 115.181 115.700 -0.065 0.000 2.407 1005 S HA -0.167 4.303 4.470 -0.001 0.000 0.235 1005 S C 1.663 176.216 174.600 -0.079 0.000 1.036 1005 S CA 1.131 59.294 58.200 -0.062 0.000 1.013 1005 S CB -1.145 62.044 63.200 -0.019 0.000 0.820 1005 S HN 0.199 nan 8.310 nan 0.000 0.476 1006 L N 1.045 122.234 121.223 -0.057 0.000 2.362 1006 L HA -0.030 4.309 4.340 -0.001 0.000 0.219 1006 L C 1.954 178.753 176.870 -0.118 0.000 1.134 1006 L CA 0.727 55.549 54.840 -0.029 0.000 0.807 1006 L CB -0.416 41.699 42.059 0.093 0.000 0.927 1006 L HN 0.235 nan 8.230 nan 0.000 0.447 1007 N N -0.302 118.205 118.700 -0.321 0.000 2.299 1007 N HA -0.051 4.689 4.740 -0.001 0.000 0.187 1007 N C 0.368 175.749 175.510 -0.216 0.000 1.099 1007 N CA -0.001 52.829 53.050 -0.367 0.000 0.867 1007 N CB 0.103 38.103 38.487 -0.812 0.000 0.974 1007 N HN 0.098 nan 8.380 nan 0.000 0.477 1008 N N 1.715 120.316 118.700 -0.164 0.000 2.415 1008 N HA 0.185 4.925 4.740 -0.001 0.000 0.246 1008 N C -2.536 172.932 175.510 -0.070 0.000 1.078 1008 N CA -1.610 51.377 53.050 -0.104 0.000 0.942 1008 N CB 0.764 39.200 38.487 -0.085 0.000 1.140 1008 N HN 0.138 nan 8.380 nan 0.000 0.501 1009 P HA 0.086 nan 4.420 nan 0.000 0.274 1009 P C -0.629 176.653 177.300 -0.030 0.000 1.246 1009 P CA -0.433 62.644 63.100 -0.038 0.000 0.795 1009 P CB 0.965 32.645 31.700 -0.033 0.000 1.006 1010 V N 2.114 122.015 119.914 -0.022 0.000 2.461 1010 V HA 0.097 4.216 4.120 -0.001 0.000 0.275 1010 V C 0.586 176.670 176.094 -0.016 0.000 1.047 1010 V CA -0.397 61.892 62.300 -0.018 0.000 0.955 1010 V CB 1.293 33.108 31.823 -0.014 0.000 0.988 1010 V HN 0.432 nan 8.190 nan 0.000 0.471 1011 V N 8.163 128.067 119.914 -0.015 0.000 2.318 1011 V HA 0.513 4.633 4.120 -0.001 0.000 0.271 1011 V C 0.167 176.255 176.094 -0.011 0.000 1.030 1011 V CA -0.575 61.717 62.300 -0.013 0.000 0.844 1011 V CB 0.832 32.647 31.823 -0.014 0.000 1.015 1011 V HN 0.746 nan 8.190 nan 0.000 0.460 1012 I N 3.489 124.053 120.570 -0.011 0.000 2.634 1012 I HA 0.322 4.492 4.170 -0.001 0.000 0.284 1012 I C 0.892 177.004 176.117 -0.008 0.000 1.124 1012 I CA 0.028 61.322 61.300 -0.009 0.000 1.417 1012 I CB 0.771 38.765 38.000 -0.011 0.000 1.396 1012 I HN 0.646 nan 8.210 nan 0.000 0.571 1013 Q N 4.243 124.039 119.800 -0.006 0.000 2.204 1013 Q HA 0.194 4.533 4.340 -0.001 0.000 0.198 1013 Q C 0.861 176.859 176.000 -0.004 0.000 0.946 1013 Q CA 0.701 56.501 55.803 -0.004 0.000 0.859 1013 Q CB 0.191 28.928 28.738 -0.001 0.000 0.946 1013 Q HN 0.895 nan 8.270 nan 0.000 0.474 1014 A N 1.874 124.692 122.820 -0.004 0.000 2.666 1014 A HA 0.321 4.641 4.320 -0.001 0.000 0.312 1014 A C -0.493 177.085 177.584 -0.010 0.000 1.471 1014 A CA -0.100 51.934 52.037 -0.005 0.000 1.134 1014 A CB -0.018 18.980 19.000 -0.003 0.000 1.129 1014 A HN -0.022 nan 8.150 nan 0.000 0.539 1015 T N 1.948 116.497 114.554 -0.009 0.000 2.823 1015 T HA 0.532 4.882 4.350 -0.001 0.000 0.279 1015 T C -0.214 174.479 174.700 -0.012 0.000 0.998 1015 T CA -0.529 61.564 62.100 -0.012 0.000 0.994 1015 T CB 0.801 69.662 68.868 -0.010 0.000 0.960 1015 T HN 0.731 nan 8.240 nan 0.000 0.448 1016 R N 1.823 122.314 120.500 -0.016 0.000 2.204 1016 R HA -0.149 4.191 4.340 -0.001 0.000 0.319 1016 R C 0.834 177.126 176.300 -0.014 0.000 1.127 1016 R CA -0.024 56.067 56.100 -0.016 0.000 1.046 1016 R CB -1.328 28.965 30.300 -0.013 0.000 2.920 1016 R HN 0.650 nan 8.270 nan 0.000 0.506 1017 L N 1.644 122.857 121.223 -0.017 0.000 1.921 1017 L HA -0.161 4.178 4.340 -0.001 0.000 0.219 1017 L C 0.449 177.314 176.870 -0.008 0.000 1.081 1017 L CA 2.106 56.939 54.840 -0.013 0.000 0.771 1017 L CB -0.099 41.949 42.059 -0.019 0.000 0.888 1017 L HN 1.023 nan 8.230 nan 0.000 0.433 1018 D N -3.157 117.237 120.400 -0.010 0.000 4.549 1018 D HA -0.108 4.531 4.640 -0.001 0.000 0.223 1018 D C 0.495 176.793 176.300 -0.003 0.000 1.439 1018 D CA 0.599 54.595 54.000 -0.007 0.000 1.047 1018 D CB -0.394 40.402 40.800 -0.006 0.000 0.481 1018 D HN 0.496 nan 8.370 nan 0.000 0.223 1019 A N 3.470 126.289 122.820 -0.002 0.000 1.997 1019 A HA -0.206 4.114 4.320 -0.001 0.000 0.221 1019 A C 2.432 180.016 177.584 0.000 0.000 1.172 1019 A CA 2.786 54.825 52.037 0.003 0.000 0.645 1019 A CB -0.946 18.057 19.000 0.005 0.000 0.813 1019 A HN 1.477 nan 8.150 nan 0.000 0.454 1020 S N 0.553 116.251 115.700 -0.003 0.000 2.419 1020 S HA -0.183 4.286 4.470 -0.001 0.000 0.235 1020 S C 1.697 176.290 174.600 -0.011 0.000 1.019 1020 S CA 1.409 59.605 58.200 -0.007 0.000 0.982 1020 S CB -0.942 62.254 63.200 -0.006 0.000 0.789 1020 S HN 1.040 nan 8.310 nan 0.000 0.490 1021 I N -1.324 119.242 120.570 -0.007 0.000 3.684 1021 I HA 0.370 4.540 4.170 -0.001 0.000 0.304 1021 I C 0.159 176.269 176.117 -0.012 0.000 1.278 1021 I CA -0.339 60.956 61.300 -0.008 0.000 1.272 1021 I CB -0.269 37.731 38.000 -0.000 0.000 1.029 1021 I HN 0.135 nan 8.210 nan 0.000 0.458 1022 L N 2.300 123.516 121.223 -0.011 0.000 2.395 1022 L HA 0.420 4.760 4.340 -0.001 0.000 0.269 1022 L C -1.931 174.878 176.870 -0.101 0.000 1.133 1022 L CA -1.823 53.005 54.840 -0.020 0.000 0.812 1022 L CB -0.125 41.950 42.059 0.027 0.000 1.125 1022 L HN -0.073 nan 8.230 nan 0.000 0.452 1023 P HA 0.090 nan 4.420 nan 0.000 0.265 1023 P C -0.962 176.179 177.300 -0.266 0.000 1.187 1023 P CA 0.169 63.056 63.100 -0.355 0.000 0.766 1023 P CB 0.440 31.660 31.700 -0.801 0.000 0.820 1024 R N 2.287 122.682 120.500 -0.174 0.000 2.589 1024 R HA 0.306 4.645 4.340 -0.001 0.000 0.293 1024 R C 0.492 176.742 176.300 -0.084 0.000 0.963 1024 R CA -0.706 55.334 56.100 -0.099 0.000 0.905 1024 R CB 0.813 31.077 30.300 -0.059 0.000 1.144 1024 R HN 0.612 nan 8.270 nan 0.000 0.459 1025 N N 0.786 119.463 118.700 -0.039 0.000 2.708 1025 N HA -0.207 4.533 4.740 -0.001 0.000 0.251 1025 N C 0.075 175.579 175.510 -0.009 0.000 1.123 1025 N CA 0.630 53.672 53.050 -0.013 0.000 0.739 1025 N CB -0.042 38.436 38.487 -0.015 0.000 1.113 1025 N HN 0.395 nan 8.380 nan 0.000 0.561 1026 V N -1.029 118.869 119.914 -0.027 0.000 3.350 1026 V HA 0.372 4.492 4.120 -0.001 0.000 0.246 1026 V C -0.064 176.169 176.094 0.231 0.000 1.363 1026 V CA 0.204 62.513 62.300 0.015 0.000 1.162 1026 V CB 0.169 31.923 31.823 -0.116 0.000 0.947 1026 V HN 0.133 nan 8.190 nan 0.000 0.454 1027 F N 2.424 122.416 119.950 0.071 0.000 2.399 1027 F HA 0.685 5.212 4.527 -0.001 0.000 0.328 1027 F C 0.993 176.851 175.800 0.097 0.000 1.084 1027 F CA -0.984 57.084 58.000 0.114 0.000 1.053 1027 F CB 1.345 40.484 39.000 0.230 0.000 1.209 1027 F HN 0.237 nan 8.300 nan 0.000 0.502 1028 S N 1.048 116.915 115.700 0.278 0.000 2.603 1028 S HA 0.185 4.655 4.470 -0.001 0.000 0.268 1028 S C 1.162 175.872 174.600 0.182 0.000 1.317 1028 S CA -0.627 57.674 58.200 0.168 0.000 1.012 1028 S CB 1.062 64.322 63.200 0.099 0.000 0.926 1028 S HN 0.753 nan 8.310 nan 0.000 0.539 1029 K N 1.148 121.622 120.400 0.123 0.000 2.097 1029 K HA -0.112 4.207 4.320 -0.001 0.000 0.206 1029 K C 2.123 178.785 176.600 0.104 0.000 1.049 1029 K CA 1.559 57.910 56.287 0.106 0.000 0.933 1029 K CB -0.534 32.009 32.500 0.071 0.000 0.717 1029 K HN 0.646 nan 8.250 nan 0.000 0.442 1030 S N 0.018 115.777 115.700 0.099 0.000 2.359 1030 S HA -0.190 4.280 4.470 -0.001 0.000 0.224 1030 S C 1.613 176.295 174.600 0.137 0.000 1.035 1030 S CA 1.406 59.665 58.200 0.098 0.000 1.018 1030 S CB -0.480 62.763 63.200 0.072 0.000 0.876 1030 S HN 0.438 nan 8.310 nan 0.000 0.448 1031 Y N 1.460 121.764 120.300 0.007 0.000 2.242 1031 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 1031 Y C 1.944 177.894 175.900 0.083 0.000 1.137 1031 Y CA 0.635 58.718 58.100 -0.028 0.000 1.181 1031 Y CB -0.437 37.893 38.460 -0.218 0.000 0.989 1031 Y HN 0.099 nan 8.280 nan 0.000 0.527 1032 L N -0.074 121.196 121.223 0.079 0.000 2.017 1032 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 1032 L C 2.305 179.171 176.870 -0.007 0.000 1.073 1032 L CA 1.678 56.559 54.840 0.068 0.000 0.745 1032 L CB -1.170 40.978 42.059 0.149 0.000 0.894 1032 L HN 0.294 nan 8.230 nan 0.000 0.432 1033 L N -2.566 118.672 121.223 0.025 0.000 2.056 1033 L HA -0.271 4.069 4.340 -0.001 0.000 0.207 1033 L C 2.494 179.357 176.870 -0.011 0.000 1.078 1033 L CA 1.344 56.191 54.840 0.013 0.000 0.749 1033 L CB -0.744 41.337 42.059 0.038 0.000 0.901 1033 L HN 0.274 nan 8.230 nan 0.000 0.433 1034 Y N 0.583 120.807 120.300 -0.127 0.000 2.053 1034 Y HA -0.300 4.250 4.550 -0.000 0.000 0.277 1034 Y C 2.491 178.265 175.900 -0.209 0.000 1.159 1034 Y CA 1.981 59.992 58.100 -0.148 0.000 1.125 1034 Y CB -0.464 37.912 38.460 -0.141 0.000 0.969 1034 Y HN -0.180 nan 8.280 nan 0.000 0.492 1035 V N 0.827 120.601 119.914 -0.233 0.000 2.380 1035 V HA -0.370 3.750 4.120 -0.001 0.000 0.251 1035 V C 2.356 178.328 176.094 -0.204 0.000 1.063 1035 V CA 2.264 64.398 62.300 -0.276 0.000 1.055 1035 V CB -0.699 30.939 31.823 -0.308 0.000 0.657 1035 V HN 0.507 nan 8.190 nan 0.000 0.455 1036 I N 0.004 120.483 120.570 -0.152 0.000 2.286 1036 I HA -0.170 4.000 4.170 -0.001 0.000 0.245 1036 I C 2.618 178.655 176.117 -0.134 0.000 1.104 1036 I CA 1.367 62.603 61.300 -0.107 0.000 1.397 1036 I CB -0.569 37.394 38.000 -0.063 0.000 1.072 1036 I HN 0.281 nan 8.210 nan 0.000 0.417 1037 A N 0.120 122.835 122.820 -0.174 0.000 1.930 1037 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 1037 A C 2.319 179.761 177.584 -0.237 0.000 1.175 1037 A CA 1.627 53.556 52.037 -0.179 0.000 0.627 1037 A CB -0.680 18.216 19.000 -0.172 0.000 0.815 1037 A HN 0.501 nan 8.150 nan 0.000 0.443 1038 Q N -0.395 119.176 119.800 -0.382 0.000 2.135 1038 Q HA -0.126 4.214 4.340 -0.001 0.000 0.204 1038 Q C 2.014 177.899 176.000 -0.191 0.000 0.981 1038 Q CA 1.733 57.319 55.803 -0.362 0.000 0.856 1038 Q CB -0.561 27.878 28.738 -0.499 0.000 0.902 1038 Q HN 0.568 nan 8.270 nan 0.000 0.425 1039 G N 0.140 108.845 108.800 -0.157 0.000 2.459 1039 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.217 1039 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.217 1039 G C 1.507 176.361 174.900 -0.078 0.000 1.183 1039 G CA 1.653 46.697 45.100 -0.094 0.000 0.776 1039 G HN 0.584 nan 8.290 nan 0.000 0.552 1040 T N -0.541 113.964 114.554 -0.082 0.000 2.788 1040 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 1040 T C 1.828 176.490 174.700 -0.062 0.000 1.044 1040 T CA 1.629 63.691 62.100 -0.063 0.000 1.139 1040 T CB -0.295 68.538 68.868 -0.059 0.000 0.867 1040 T HN 0.148 nan 8.240 nan 0.000 0.454 1041 D N 1.354 121.705 120.400 -0.083 0.000 2.092 1041 D HA -0.059 4.580 4.640 -0.001 0.000 0.193 1041 D C 2.370 178.637 176.300 -0.055 0.000 0.994 1041 D CA 0.835 54.792 54.000 -0.072 0.000 0.828 1041 D CB -0.758 39.985 40.800 -0.095 0.000 0.963 1041 D HN 0.266 nan 8.370 nan 0.000 0.450 1042 V N 0.903 120.781 119.914 -0.060 0.000 2.282 1042 V HA -0.237 3.883 4.120 -0.001 0.000 0.249 1042 V C 2.504 178.579 176.094 -0.032 0.000 1.057 1042 V CA 2.181 64.456 62.300 -0.041 0.000 1.032 1042 V CB -1.115 30.684 31.823 -0.040 0.000 0.645 1042 V HN 0.292 nan 8.190 nan 0.000 0.447 1043 G N -0.778 108.002 108.800 -0.034 0.000 2.418 1043 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.217 1043 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.217 1043 G C 1.759 176.645 174.900 -0.023 0.000 1.158 1043 G CA 1.044 46.128 45.100 -0.026 0.000 0.771 1043 G HN 0.630 nan 8.290 nan 0.000 0.545 1044 A N 0.814 123.618 122.820 -0.027 0.000 1.873 1044 A HA 0.074 4.393 4.320 -0.001 0.000 0.215 1044 A C 2.385 179.958 177.584 -0.019 0.000 1.186 1044 A CA 1.252 53.276 52.037 -0.022 0.000 0.616 1044 A CB -0.371 18.614 19.000 -0.025 0.000 0.823 1044 A HN 0.358 nan 8.150 nan 0.000 0.442 1045 I N -0.117 120.441 120.570 -0.020 0.000 2.361 1045 I HA -0.277 3.893 4.170 -0.001 0.000 0.251 1045 I C 2.876 178.985 176.117 -0.012 0.000 1.133 1045 I CA 0.956 62.247 61.300 -0.015 0.000 1.413 1045 I CB -0.239 37.751 38.000 -0.016 0.000 1.073 1045 I HN 0.360 nan 8.210 nan 0.000 0.424 1046 A N 0.811 123.622 122.820 -0.014 0.000 1.930 1046 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 1046 A C 2.437 180.015 177.584 -0.011 0.000 1.175 1046 A CA 1.739 53.768 52.037 -0.012 0.000 0.627 1046 A CB -1.293 17.698 19.000 -0.014 0.000 0.815 1046 A HN 0.445 nan 8.150 nan 0.000 0.443 1047 G N 0.111 108.904 108.800 -0.012 0.000 2.414 1047 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.215 1047 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.215 1047 G C 1.627 176.522 174.900 -0.007 0.000 1.188 1047 G CA 1.452 46.546 45.100 -0.010 0.000 0.783 1047 G HN 0.552 nan 8.290 nan 0.000 0.537 1048 K N 1.354 121.750 120.400 -0.007 0.000 2.103 1048 K HA 0.084 4.404 4.320 -0.001 0.000 0.207 1048 K C 2.543 179.142 176.600 -0.002 0.000 1.048 1048 K CA 1.777 58.062 56.287 -0.004 0.000 0.930 1048 K CB -0.717 31.780 32.500 -0.005 0.000 0.716 1048 K HN 0.198 nan 8.250 nan 0.000 0.444 1049 A N 0.411 123.229 122.820 -0.004 0.000 1.897 1049 A HA -0.113 4.207 4.320 -0.001 0.000 0.215 1049 A C 1.949 179.532 177.584 -0.002 0.000 1.181 1049 A CA 1.746 53.782 52.037 -0.002 0.000 0.620 1049 A CB -0.737 18.260 19.000 -0.004 0.000 0.821 1049 A HN 0.577 nan 8.150 nan 0.000 0.443 1050 N N -0.563 118.134 118.700 -0.005 0.000 2.120 1050 N HA -0.157 4.582 4.740 -0.001 0.000 0.188 1050 N C 1.713 177.222 175.510 -0.002 0.000 1.024 1050 N CA 1.383 54.428 53.050 -0.008 0.000 0.852 1050 N CB -0.148 38.332 38.487 -0.012 0.000 1.003 1050 N HN 0.611 nan 8.380 nan 0.000 0.424 1051 E N 0.479 120.680 120.200 0.001 0.000 2.150 1051 E HA -0.106 4.244 4.350 -0.001 0.000 0.193 1051 E C 1.989 178.598 176.600 0.015 0.000 0.985 1051 E CA 0.815 57.219 56.400 0.008 0.000 0.814 1051 E CB -0.003 29.700 29.700 0.005 0.000 0.752 1051 E HN 0.379 nan 8.360 nan 0.000 0.466 1052 A N 0.956 123.783 122.820 0.012 0.000 1.930 1052 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 1052 A C 2.390 179.990 177.584 0.026 0.000 1.175 1052 A CA 1.558 53.605 52.037 0.017 0.000 0.627 1052 A CB -0.994 18.013 19.000 0.012 0.000 0.815 1052 A HN 0.360 nan 8.150 nan 0.000 0.443 1053 G N -0.759 108.055 108.800 0.022 0.000 2.418 1053 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.217 1053 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.217 1053 G C 1.627 176.563 174.900 0.059 0.000 1.158 1053 G CA 1.116 46.235 45.100 0.031 0.000 0.771 1053 G HN 0.635 nan 8.290 nan 0.000 0.545 1054 Q N 0.098 119.926 119.800 0.046 0.000 2.079 1054 Q HA 0.021 4.361 4.340 -0.001 0.000 0.200 1054 Q C 2.603 178.669 176.000 0.111 0.000 0.974 1054 Q CA 1.676 57.526 55.803 0.077 0.000 0.840 1054 Q CB -0.561 28.201 28.738 0.040 0.000 0.898 1054 Q HN 0.356 nan 8.270 nan 0.000 0.430 1055 G N 0.109 108.949 108.800 0.067 0.000 2.408 1055 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.217 1055 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.217 1055 G C 1.434 176.366 174.900 0.054 0.000 1.150 1055 G CA 0.737 45.868 45.100 0.052 0.000 0.776 1055 G HN 0.490 nan 8.290 nan 0.000 0.542 1056 A N 0.020 122.879 122.820 0.065 0.000 1.898 1056 A HA -0.012 4.308 4.320 -0.001 0.000 0.216 1056 A C 2.202 179.836 177.584 0.084 0.000 1.181 1056 A CA 1.658 53.731 52.037 0.059 0.000 0.620 1056 A CB -0.696 18.339 19.000 0.059 0.000 0.819 1056 A HN 0.442 nan 8.150 nan 0.000 0.442 1057 Y N 1.381 121.678 120.300 -0.004 0.000 2.145 1057 Y HA -0.230 4.319 4.550 -0.001 0.000 0.286 1057 Y C 1.775 177.671 175.900 -0.005 0.000 1.145 1057 Y CA 2.088 60.185 58.100 -0.005 0.000 1.148 1057 Y CB -0.304 38.153 38.460 -0.004 0.000 0.981 1057 Y HN 0.361 nan 8.280 nan 0.000 0.507 1058 D N 0.047 120.460 120.400 0.021 0.000 2.144 1058 D HA -0.166 4.474 4.640 -0.001 0.000 0.199 1058 D C 2.235 178.469 176.300 -0.110 0.000 0.984 1058 D CA 1.444 55.400 54.000 -0.073 0.000 0.834 1058 D CB -0.559 40.253 40.800 0.020 0.000 0.955 1058 D HN 0.490 nan 8.370 nan 0.000 0.465 1059 A N 0.484 123.266 122.820 -0.064 0.000 1.968 1059 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 1059 A C 2.058 179.588 177.584 -0.091 0.000 1.169 1059 A CA 1.081 53.083 52.037 -0.059 0.000 0.638 1059 A CB -0.360 18.624 19.000 -0.026 0.000 0.812 1059 A HN 0.206 nan 8.150 nan 0.000 0.446 1060 Q N -0.617 119.107 119.800 -0.126 0.000 2.187 1060 Q HA -0.030 4.309 4.340 -0.001 0.000 0.199 1060 Q C 2.075 177.954 176.000 -0.203 0.000 0.957 1060 Q CA 1.221 56.941 55.803 -0.138 0.000 0.857 1060 Q CB -0.211 28.461 28.738 -0.111 0.000 0.929 1060 Q HN 0.474 nan 8.270 nan 0.000 0.453 1061 V N 1.636 121.349 119.914 -0.335 0.000 2.307 1061 V HA -0.282 3.838 4.120 -0.001 0.000 0.245 1061 V C 2.346 178.336 176.094 -0.173 0.000 1.045 1061 V CA 2.077 64.189 62.300 -0.313 0.000 1.024 1061 V CB -0.446 31.127 31.823 -0.417 0.000 0.651 1061 V HN 0.300 nan 8.190 nan 0.000 0.449 1062 K N 0.750 121.064 120.400 -0.144 0.000 2.032 1062 K HA -0.234 4.086 4.320 -0.001 0.000 0.209 1062 K C 1.905 178.455 176.600 -0.083 0.000 1.048 1062 K CA 2.155 58.385 56.287 -0.094 0.000 0.927 1062 K CB -0.378 32.078 32.500 -0.073 0.000 0.712 1062 K HN 0.395 nan 8.250 nan 0.000 0.441 1063 N N 1.198 119.848 118.700 -0.084 0.000 2.104 1063 N HA -0.157 4.583 4.740 -0.001 0.000 0.190 1063 N C 1.154 176.623 175.510 -0.068 0.000 1.024 1063 N CA 1.688 54.697 53.050 -0.068 0.000 0.853 1063 N CB -0.508 37.942 38.487 -0.061 0.000 1.008 1063 N HN 0.344 nan 8.380 nan 0.000 0.424 1064 D N 0.680 121.032 120.400 -0.079 0.000 2.144 1064 D HA -0.100 4.539 4.640 -0.001 0.000 0.199 1064 D C 1.706 177.969 176.300 -0.063 0.000 0.984 1064 D CA 0.863 54.822 54.000 -0.068 0.000 0.834 1064 D CB -0.176 40.580 40.800 -0.075 0.000 0.955 1064 D HN 0.473 nan 8.370 nan 0.000 0.465 1065 E N 0.261 120.419 120.200 -0.069 0.000 2.107 1065 E HA -0.120 4.230 4.350 -0.001 0.000 0.191 1065 E C 2.085 178.643 176.600 -0.070 0.000 0.982 1065 E CA 0.574 56.937 56.400 -0.063 0.000 0.809 1065 E CB -0.039 29.625 29.700 -0.060 0.000 0.756 1065 E HN 0.372 nan 8.360 nan 0.000 0.459 1066 Q N 0.526 120.282 119.800 -0.074 0.000 2.224 1066 Q HA -0.151 4.189 4.340 -0.001 0.000 0.203 1066 Q C 1.366 177.310 176.000 -0.093 0.000 0.970 1066 Q CA 0.958 56.709 55.803 -0.087 0.000 0.865 1066 Q CB 0.097 28.791 28.738 -0.073 0.000 0.922 1066 Q HN 0.186 nan 8.270 nan 0.000 0.445 1067 D N -0.166 120.190 120.400 -0.072 0.000 2.178 1067 D HA -0.093 4.547 4.640 -0.001 0.000 0.202 1067 D C 1.826 178.088 176.300 -0.064 0.000 0.974 1067 D CA 0.588 54.551 54.000 -0.062 0.000 0.841 1067 D CB 0.120 40.892 40.800 -0.047 0.000 0.953 1067 D HN 0.009 nan 8.370 nan 0.000 0.478 1068 V N 0.616 120.492 119.914 -0.064 0.000 2.270 1068 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 1068 V C 2.384 178.432 176.094 -0.076 0.000 1.043 1068 V CA 1.813 64.080 62.300 -0.055 0.000 1.014 1068 V CB -0.397 31.399 31.823 -0.045 0.000 0.645 1068 V HN 0.211 nan 8.190 nan 0.000 0.447 1069 E N -0.365 119.763 120.200 -0.120 0.000 2.150 1069 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 1069 E C 2.089 178.495 176.600 -0.323 0.000 0.985 1069 E CA 0.959 57.231 56.400 -0.214 0.000 0.814 1069 E CB -0.060 29.479 29.700 -0.269 0.000 0.752 1069 E HN 0.375 nan 8.360 nan 0.000 0.466 1070 L N 0.522 121.613 121.223 -0.219 0.000 2.093 1070 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 1070 L C 2.256 179.089 176.870 -0.061 0.000 1.085 1070 L CA 1.886 56.631 54.840 -0.158 0.000 0.755 1070 L CB -0.788 41.214 42.059 -0.095 0.000 0.904 1070 L HN 0.233 nan 8.230 nan 0.000 0.435 1071 A N -1.293 121.498 122.820 -0.047 0.000 2.014 1071 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 1071 A C 2.054 179.647 177.584 0.015 0.000 1.163 1071 A CA 1.573 53.603 52.037 -0.012 0.000 0.652 1071 A CB -0.564 18.427 19.000 -0.016 0.000 0.808 1071 A HN 0.465 nan 8.150 nan 0.000 0.449 1072 D N -1.026 119.384 120.400 0.016 0.000 2.103 1072 D HA -0.139 4.501 4.640 -0.001 0.000 0.199 1072 D C 1.734 178.130 176.300 0.161 0.000 0.978 1072 D CA 1.404 55.448 54.000 0.073 0.000 0.829 1072 D CB -0.372 40.478 40.800 0.084 0.000 0.981 1072 D HN 0.689 nan 8.370 nan 0.000 0.464 1073 H N -0.892 118.173 119.070 -0.009 0.000 2.387 1073 H HA -0.093 4.462 4.556 -0.001 0.000 0.299 1073 H C 1.807 177.129 175.328 -0.010 0.000 1.090 1073 H CA 1.089 57.131 56.048 -0.010 0.000 1.332 1073 H CB 0.235 29.992 29.762 -0.009 0.000 1.386 1073 H HN 0.169 nan 8.280 nan 0.000 0.516 1074 E N 1.534 121.809 120.200 0.124 0.000 2.023 1074 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 1074 E C 2.379 179.001 176.600 0.037 0.000 1.003 1074 E CA 1.524 57.959 56.400 0.059 0.000 0.809 1074 E CB -0.372 29.349 29.700 0.034 0.000 0.755 1074 E HN 0.386 nan 8.360 nan 0.000 0.449 1075 A N 0.560 123.401 122.820 0.035 0.000 1.908 1075 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 1075 A C 2.302 179.893 177.584 0.011 0.000 1.181 1075 A CA 1.947 53.996 52.037 0.019 0.000 0.627 1075 A CB -0.582 18.430 19.000 0.019 0.000 0.818 1075 A HN 0.270 nan 8.150 nan 0.000 0.445 1076 R N -0.790 119.720 120.500 0.017 0.000 2.148 1076 R HA 0.099 4.438 4.340 -0.001 0.000 0.227 1076 R C 1.755 178.040 176.300 -0.024 0.000 1.103 1076 R CA 1.199 57.295 56.100 -0.007 0.000 0.983 1076 R CB -0.305 29.985 30.300 -0.017 0.000 0.874 1076 R HN 0.590 nan 8.270 nan 0.000 0.451 1077 I N 0.336 120.896 120.570 -0.015 0.000 2.584 1077 I HA -0.170 4.000 4.170 -0.001 0.000 0.255 1077 I C 1.936 178.040 176.117 -0.021 0.000 1.145 1077 I CA 0.990 62.276 61.300 -0.023 0.000 1.462 1077 I CB -0.025 37.969 38.000 -0.011 0.000 1.102 1077 I HN 0.068 nan 8.210 nan 0.000 0.433 1078 K N 0.346 120.739 120.400 -0.012 0.000 2.025 1078 K HA -0.229 4.091 4.320 -0.001 0.000 0.207 1078 K C 2.163 178.749 176.600 -0.024 0.000 1.049 1078 K CA 1.314 57.593 56.287 -0.014 0.000 0.933 1078 K CB -0.119 32.377 32.500 -0.007 0.000 0.714 1078 K HN 0.073 nan 8.250 nan 0.000 0.438 1079 Q N 1.325 121.110 119.800 -0.024 0.000 2.119 1079 Q HA -0.054 4.286 4.340 -0.001 0.000 0.201 1079 Q C 1.866 177.834 176.000 -0.052 0.000 0.972 1079 Q CA 1.285 57.069 55.803 -0.032 0.000 0.847 1079 Q CB -0.181 28.542 28.738 -0.025 0.000 0.903 1079 Q HN 0.256 nan 8.270 nan 0.000 0.433 1080 L N -0.058 121.134 121.223 -0.053 0.000 2.012 1080 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 1080 L C 2.532 179.353 176.870 -0.083 0.000 1.073 1080 L CA 1.535 56.333 54.840 -0.071 0.000 0.748 1080 L CB -0.406 41.618 42.059 -0.058 0.000 0.891 1080 L HN 0.205 nan 8.230 nan 0.000 0.431 1081 R N 0.912 121.377 120.500 -0.059 0.000 2.081 1081 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 1081 R C 1.978 178.240 176.300 -0.064 0.000 1.131 1081 R CA 1.720 57.788 56.100 -0.054 0.000 0.960 1081 R CB -0.770 29.510 30.300 -0.034 0.000 0.856 1081 R HN 0.316 nan 8.270 nan 0.000 0.436 1082 I N 0.591 121.126 120.570 -0.060 0.000 2.286 1082 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 1082 I C 1.255 177.316 176.117 -0.094 0.000 1.115 1082 I CA 1.532 62.797 61.300 -0.058 0.000 1.392 1082 I CB -0.326 37.649 38.000 -0.041 0.000 1.065 1082 I HN 0.182 nan 8.210 nan 0.000 0.418 1083 D N 0.229 120.541 120.400 -0.147 0.000 2.149 1083 D HA -0.101 4.538 4.640 -0.001 0.000 0.201 1083 D C 2.339 178.358 176.300 -0.469 0.000 0.972 1083 D CA 0.976 54.803 54.000 -0.288 0.000 0.835 1083 D CB -0.194 40.427 40.800 -0.299 0.000 0.966 1083 D HN 0.110 nan 8.370 nan 0.000 0.476 1084 V N 1.372 121.111 119.914 -0.292 0.000 2.358 1084 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 1084 V C 1.762 177.806 176.094 -0.083 0.000 1.047 1084 V CA 1.567 63.747 62.300 -0.201 0.000 1.035 1084 V CB -0.360 31.403 31.823 -0.099 0.000 0.658 1084 V HN 0.052 nan 8.190 nan 0.000 0.452 1085 D N 0.002 120.363 120.400 -0.064 0.000 2.117 1085 D HA -0.188 4.452 4.640 -0.001 0.000 0.197 1085 D C 1.925 178.228 176.300 0.005 0.000 0.987 1085 D CA 1.683 55.671 54.000 -0.020 0.000 0.829 1085 D CB -0.337 40.451 40.800 -0.020 0.000 0.961 1085 D HN 0.510 nan 8.370 nan 0.000 0.460 1086 D N -0.442 119.953 120.400 -0.008 0.000 2.117 1086 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 1086 D C 1.819 178.205 176.300 0.143 0.000 0.987 1086 D CA 1.210 55.239 54.000 0.048 0.000 0.829 1086 D CB -0.073 40.753 40.800 0.043 0.000 0.961 1086 D HN 0.405 nan 8.370 nan 0.000 0.460 1087 H N -1.064 118.005 119.070 -0.003 0.000 2.387 1087 H HA -0.089 4.466 4.556 -0.001 0.000 0.299 1087 H C 1.844 177.170 175.328 -0.003 0.000 1.090 1087 H CA 1.080 57.127 56.048 -0.003 0.000 1.332 1087 H CB 0.174 29.933 29.762 -0.004 0.000 1.386 1087 H HN 0.183 nan 8.280 nan 0.000 0.516 1088 E N 0.936 121.213 120.200 0.129 0.000 2.085 1088 E HA -0.170 4.180 4.350 -0.001 0.000 0.194 1088 E C 2.465 179.093 176.600 0.046 0.000 0.994 1088 E CA 1.560 57.999 56.400 0.065 0.000 0.801 1088 E CB -0.264 29.460 29.700 0.039 0.000 0.743 1088 E HN 0.149 nan 8.360 nan 0.000 0.453 1089 S N -0.691 115.036 115.700 0.046 0.000 2.345 1089 S HA -0.107 4.363 4.470 -0.001 0.000 0.220 1089 S C 2.021 176.637 174.600 0.027 0.000 1.031 1089 S CA 1.334 59.553 58.200 0.031 0.000 0.996 1089 S CB -0.212 63.005 63.200 0.028 0.000 0.882 1089 S HN 0.296 nan 8.310 nan 0.000 0.445 1090 R N 0.311 120.832 120.500 0.035 0.000 2.081 1090 R HA 0.045 4.385 4.340 -0.001 0.000 0.235 1090 R C 2.287 178.587 176.300 0.000 0.000 1.131 1090 R CA 1.703 57.812 56.100 0.015 0.000 0.960 1090 R CB -0.445 29.862 30.300 0.012 0.000 0.856 1090 R HN 0.461 nan 8.270 nan 0.000 0.436 1091 I N -0.029 120.543 120.570 0.004 0.000 2.179 1091 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 1091 I C 2.061 178.178 176.117 0.000 0.000 1.088 1091 I CA 1.392 62.689 61.300 -0.005 0.000 1.357 1091 I CB -0.429 37.573 38.000 0.004 0.000 1.051 1091 I HN 0.180 nan 8.210 nan 0.000 0.409 1092 T N 0.741 115.300 114.554 0.008 0.000 2.720 1092 T HA -0.187 4.163 4.350 -0.001 0.000 0.268 1092 T C 1.999 176.701 174.700 0.003 0.000 1.037 1092 T CA 1.544 63.647 62.100 0.006 0.000 1.144 1092 T CB -0.278 68.595 68.868 0.009 0.000 0.864 1092 T HN 0.495 nan 8.240 nan 0.000 0.444 1093 A N 1.649 124.470 122.820 0.003 0.000 1.930 1093 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 1093 A C 2.148 179.731 177.584 -0.003 0.000 1.175 1093 A CA 1.599 53.636 52.037 0.001 0.000 0.627 1093 A CB -0.687 18.314 19.000 0.002 0.000 0.815 1093 A HN 0.612 nan 8.150 nan 0.000 0.443 1094 N N -0.807 117.889 118.700 -0.006 0.000 2.106 1094 N HA -0.111 4.629 4.740 -0.001 0.000 0.188 1094 N C 1.639 177.145 175.510 -0.007 0.000 1.029 1094 N CA 1.597 54.641 53.050 -0.010 0.000 0.848 1094 N CB -0.231 38.246 38.487 -0.016 0.000 1.007 1094 N HN 0.418 nan 8.380 nan 0.000 0.423 1095 T N 1.510 116.060 114.554 -0.006 0.000 2.684 1095 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 1095 T C 1.702 176.400 174.700 -0.003 0.000 1.036 1095 T CA 1.245 63.342 62.100 -0.004 0.000 1.148 1095 T CB -0.119 68.747 68.868 -0.003 0.000 0.863 1095 T HN 0.248 nan 8.240 nan 0.000 0.436 1096 K N 0.960 121.358 120.400 -0.002 0.000 2.097 1096 K HA 0.113 4.432 4.320 -0.001 0.000 0.205 1096 K C 2.632 179.231 176.600 -0.002 0.000 1.050 1096 K CA 1.019 57.305 56.287 -0.002 0.000 0.938 1096 K CB -0.209 32.291 32.500 -0.001 0.000 0.718 1096 K HN 0.278 nan 8.250 nan 0.000 0.442 1097 A N 1.267 124.085 122.820 -0.003 0.000 1.969 1097 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 1097 A C 2.047 179.629 177.584 -0.004 0.000 1.169 1097 A CA 1.078 53.112 52.037 -0.004 0.000 0.635 1097 A CB -0.441 18.556 19.000 -0.005 0.000 0.810 1097 A HN 0.150 nan 8.150 nan 0.000 0.445 1098 I N 0.198 120.765 120.570 -0.005 0.000 2.233 1098 I HA -0.218 3.952 4.170 -0.001 0.000 0.243 1098 I C 2.904 179.018 176.117 -0.004 0.000 1.093 1098 I CA 1.808 63.105 61.300 -0.005 0.000 1.380 1098 I CB -0.550 37.447 38.000 -0.006 0.000 1.067 1098 I HN 0.527 nan 8.210 nan 0.000 0.413 1099 T N -0.487 114.065 114.554 -0.003 0.000 2.788 1099 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 1099 T C 1.985 176.683 174.700 -0.002 0.000 1.044 1099 T CA 1.067 63.166 62.100 -0.002 0.000 1.139 1099 T CB -0.585 68.281 68.868 -0.002 0.000 0.867 1099 T HN 0.340 nan 8.240 nan 0.000 0.454 1100 A N 1.488 124.307 122.820 -0.002 0.000 1.933 1100 A HA 0.173 4.493 4.320 -0.001 0.000 0.218 1100 A C 2.460 180.043 177.584 -0.002 0.000 1.175 1100 A CA 1.215 53.250 52.037 -0.002 0.000 0.628 1100 A CB -0.865 18.134 19.000 -0.002 0.000 0.814 1100 A HN 0.546 nan 8.150 nan 0.000 0.444 1101 L N -0.187 121.035 121.223 -0.003 0.000 2.109 1101 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 1101 L C 2.623 179.492 176.870 -0.003 0.000 1.086 1101 L CA 1.336 56.175 54.840 -0.003 0.000 0.760 1101 L CB -0.569 41.488 42.059 -0.004 0.000 0.910 1101 L HN 0.604 nan 8.230 nan 0.000 0.437 1102 N N 0.472 119.171 118.700 -0.003 0.000 2.104 1102 N HA -0.202 4.537 4.740 -0.001 0.000 0.190 1102 N C 2.014 177.523 175.510 -0.002 0.000 1.024 1102 N CA 1.889 54.938 53.050 -0.003 0.000 0.853 1102 N CB 0.036 38.521 38.487 -0.003 0.000 1.008 1102 N HN 0.273 nan 8.380 nan 0.000 0.424 1103 V N 1.147 121.060 119.914 -0.002 0.000 2.287 1103 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 1103 V C 2.499 178.592 176.094 -0.002 0.000 1.053 1103 V CA 1.464 63.763 62.300 -0.002 0.000 1.027 1103 V CB -0.614 31.208 31.823 -0.002 0.000 0.646 1103 V HN 0.266 nan 8.190 nan 0.000 0.447 1104 R N -0.339 120.160 120.500 -0.002 0.000 2.091 1104 R HA -0.100 4.240 4.340 -0.001 0.000 0.238 1104 R C 2.339 178.638 176.300 -0.002 0.000 1.136 1104 R CA 1.891 57.990 56.100 -0.002 0.000 0.959 1104 R CB -0.682 29.617 30.300 -0.002 0.000 0.856 1104 R HN 0.571 nan 8.270 nan 0.000 0.437 1105 V N 0.232 120.144 119.914 -0.002 0.000 2.427 1105 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 1105 V C 2.178 178.271 176.094 -0.002 0.000 1.051 1105 V CA 1.952 64.251 62.300 -0.002 0.000 1.048 1105 V CB -0.457 31.364 31.823 -0.002 0.000 0.666 1105 V HN 0.392 nan 8.190 nan 0.000 0.456 1106 T N -0.456 114.097 114.554 -0.002 0.000 2.788 1106 T HA -0.192 4.158 4.350 -0.001 0.000 0.268 1106 T C 1.973 176.672 174.700 -0.002 0.000 1.044 1106 T CA 2.108 64.207 62.100 -0.002 0.000 1.139 1106 T CB -0.296 68.570 68.868 -0.002 0.000 0.867 1106 T HN 0.530 nan 8.240 nan 0.000 0.454 1107 T N 1.869 116.422 114.554 -0.002 0.000 2.701 1107 T HA -0.007 4.343 4.350 -0.001 0.000 0.263 1107 T C 2.406 177.105 174.700 -0.002 0.000 1.040 1107 T CA 1.183 63.282 62.100 -0.002 0.000 1.147 1107 T CB -0.609 68.258 68.868 -0.002 0.000 0.865 1107 T HN 0.414 nan 8.240 nan 0.000 0.426 1108 A N 1.618 124.437 122.820 -0.002 0.000 1.892 1108 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 1108 A C 2.155 179.738 177.584 -0.002 0.000 1.188 1108 A CA 2.074 54.110 52.037 -0.002 0.000 0.631 1108 A CB -0.737 18.262 19.000 -0.002 0.000 0.822 1108 A HN 0.614 nan 8.150 nan 0.000 0.447 1109 E N -0.940 119.259 120.200 -0.002 0.000 2.070 1109 E HA -0.174 4.176 4.350 -0.001 0.000 0.197 1109 E C 2.162 178.761 176.600 -0.002 0.000 1.004 1109 E CA 0.965 57.364 56.400 -0.002 0.000 0.805 1109 E CB -0.448 29.251 29.700 -0.002 0.000 0.744 1109 E HN 0.634 nan 8.360 nan 0.000 0.451 1110 G N 0.998 109.797 108.800 -0.002 0.000 2.418 1110 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.217 1110 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.217 1110 G C 1.282 176.181 174.900 -0.002 0.000 1.158 1110 G CA 0.703 45.802 45.100 -0.002 0.000 0.771 1110 G HN 0.221 nan 8.290 nan 0.000 0.545 1111 E N -0.148 120.051 120.200 -0.002 0.000 2.150 1111 E HA -0.018 4.332 4.350 -0.001 0.000 0.193 1111 E C 2.461 179.060 176.600 -0.002 0.000 0.985 1111 E CA 0.343 56.742 56.400 -0.002 0.000 0.814 1111 E CB -0.086 29.613 29.700 -0.002 0.000 0.752 1111 E HN 0.489 nan 8.360 nan 0.000 0.466 1112 I N 0.983 121.552 120.570 -0.002 0.000 2.252 1112 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 1112 I C 2.543 178.659 176.117 -0.002 0.000 1.102 1112 I CA 0.747 62.046 61.300 -0.002 0.000 1.385 1112 I CB -0.254 37.745 38.000 -0.002 0.000 1.064 1112 I HN 0.070 nan 8.210 nan 0.000 0.414 1113 A N 0.819 123.638 122.820 -0.002 0.000 1.908 1113 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 1113 A C 2.488 180.071 177.584 -0.002 0.000 1.181 1113 A CA 2.403 54.439 52.037 -0.002 0.000 0.627 1113 A CB -0.840 18.159 19.000 -0.001 0.000 0.818 1113 A HN 0.533 nan 8.150 nan 0.000 0.445 1114 S N -0.682 115.017 115.700 -0.002 0.000 2.436 1114 S HA 0.043 4.512 4.470 -0.001 0.000 0.228 1114 S C 1.868 176.467 174.600 -0.002 0.000 1.014 1114 S CA 1.062 59.261 58.200 -0.002 0.000 0.950 1114 S CB -0.513 62.686 63.200 -0.002 0.000 0.784 1114 S HN 0.407 nan 8.310 nan 0.000 0.504 1115 L N 1.053 122.275 121.223 -0.002 0.000 2.056 1115 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 1115 L C 3.052 179.921 176.870 -0.002 0.000 1.078 1115 L CA 1.411 56.250 54.840 -0.002 0.000 0.749 1115 L CB -0.438 41.619 42.059 -0.002 0.000 0.901 1115 L HN 0.393 nan 8.230 nan 0.000 0.433 1116 Q N -1.125 118.674 119.800 -0.002 0.000 2.124 1116 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 1116 Q C 2.034 178.033 176.000 -0.002 0.000 0.977 1116 Q CA 2.021 57.822 55.803 -0.002 0.000 0.850 1116 Q CB -0.189 28.548 28.738 -0.002 0.000 0.901 1116 Q HN 0.500 nan 8.270 nan 0.000 0.429 1117 T N 0.960 115.513 114.554 -0.002 0.000 2.851 1117 T HA -0.052 4.298 4.350 -0.001 0.000 0.262 1117 T C 1.535 176.234 174.700 -0.002 0.000 1.043 1117 T CA 0.872 62.971 62.100 -0.002 0.000 1.140 1117 T CB -0.153 68.714 68.868 -0.002 0.000 0.872 1117 T HN 0.256 nan 8.240 nan 0.000 0.446 1118 N N 1.178 119.877 118.700 -0.002 0.000 2.104 1118 N HA -0.069 4.670 4.740 -0.001 0.000 0.190 1118 N C 1.960 177.468 175.510 -0.002 0.000 1.024 1118 N CA 0.809 53.858 53.050 -0.002 0.000 0.853 1118 N CB -0.535 37.951 38.487 -0.002 0.000 1.008 1118 N HN 0.184 nan 8.380 nan 0.000 0.424 1119 V N 0.968 120.881 119.914 -0.002 0.000 2.427 1119 V HA -0.143 3.977 4.120 -0.001 0.000 0.248 1119 V C 2.256 178.349 176.094 -0.002 0.000 1.051 1119 V CA 1.366 63.664 62.300 -0.002 0.000 1.048 1119 V CB -0.436 31.385 31.823 -0.002 0.000 0.666 1119 V HN 0.260 nan 8.190 nan 0.000 0.456 1120 S N -0.089 115.610 115.700 -0.002 0.000 2.383 1120 S HA -0.125 4.344 4.470 -0.001 0.000 0.227 1120 S C 2.222 176.821 174.600 -0.002 0.000 1.026 1120 S CA 1.260 59.459 58.200 -0.002 0.000 0.981 1120 S CB -0.397 62.802 63.200 -0.002 0.000 0.818 1120 S HN 0.648 nan 8.310 nan 0.000 0.472 1121 A N 1.580 124.398 122.820 -0.002 0.000 1.851 1121 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 1121 A C 2.072 179.655 177.584 -0.003 0.000 1.195 1121 A CA 1.516 53.552 52.037 -0.002 0.000 0.622 1121 A CB -0.932 18.066 19.000 -0.002 0.000 0.831 1121 A HN 0.394 nan 8.150 nan 0.000 0.444 1122 L N 0.110 121.331 121.223 -0.003 0.000 2.042 1122 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 1122 L C 2.332 179.200 176.870 -0.004 0.000 1.076 1122 L CA 2.156 56.994 54.840 -0.003 0.000 0.749 1122 L CB -0.651 41.406 42.059 -0.003 0.000 0.893 1122 L HN 0.463 nan 8.230 nan 0.000 0.432 1123 D N -0.460 119.938 120.400 -0.003 0.000 2.127 1123 D HA -0.222 4.417 4.640 -0.001 0.000 0.190 1123 D C 2.057 178.356 176.300 -0.003 0.000 1.000 1123 D CA 1.801 55.799 54.000 -0.003 0.000 0.839 1123 D CB -0.150 40.649 40.800 -0.003 0.000 0.955 1123 D HN 0.393 nan 8.370 nan 0.000 0.446 1124 G N 0.482 109.281 108.800 -0.003 0.000 2.421 1124 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.216 1124 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.216 1124 G C 1.852 176.750 174.900 -0.003 0.000 1.171 1124 G CA 0.699 45.797 45.100 -0.003 0.000 0.775 1124 G HN 0.293 nan 8.290 nan 0.000 0.543 1125 R N -0.299 120.199 120.500 -0.004 0.000 2.091 1125 R HA -0.032 4.308 4.340 -0.001 0.000 0.238 1125 R C 2.607 178.904 176.300 -0.005 0.000 1.136 1125 R CA 1.183 57.280 56.100 -0.004 0.000 0.959 1125 R CB -0.529 29.768 30.300 -0.004 0.000 0.856 1125 R HN 0.308 nan 8.270 nan 0.000 0.437 1126 V N 0.350 120.261 119.914 -0.005 0.000 2.453 1126 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 1126 V C 2.078 178.168 176.094 -0.006 0.000 1.048 1126 V CA 1.966 64.263 62.300 -0.006 0.000 1.049 1126 V CB -0.362 31.458 31.823 -0.006 0.000 0.672 1126 V HN 0.394 nan 8.190 nan 0.000 0.457 1127 T N -0.425 114.126 114.554 -0.005 0.000 2.737 1127 T HA -0.188 4.162 4.350 -0.001 0.000 0.265 1127 T C 2.004 176.701 174.700 -0.005 0.000 1.038 1127 T CA 2.120 64.218 62.100 -0.004 0.000 1.144 1127 T CB -0.363 68.503 68.868 -0.003 0.000 0.866 1127 T HN 0.513 nan 8.240 nan 0.000 0.434 1128 T N 2.104 116.655 114.554 -0.004 0.000 2.684 1128 T HA -0.105 4.245 4.350 -0.001 0.000 0.267 1128 T C 2.355 177.051 174.700 -0.007 0.000 1.036 1128 T CA 1.286 63.383 62.100 -0.005 0.000 1.148 1128 T CB -0.647 68.219 68.868 -0.004 0.000 0.863 1128 T HN 0.434 nan 8.240 nan 0.000 0.436 1129 A N 1.732 124.548 122.820 -0.008 0.000 1.873 1129 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 1129 A C 2.180 179.757 177.584 -0.013 0.000 1.193 1129 A CA 2.039 54.069 52.037 -0.011 0.000 0.629 1129 A CB -0.747 18.246 19.000 -0.012 0.000 0.826 1129 A HN 0.619 nan 8.150 nan 0.000 0.447 1130 E N -0.297 119.897 120.200 -0.011 0.000 2.118 1130 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 1130 E C 1.895 178.489 176.600 -0.009 0.000 0.992 1130 E CA 1.378 57.771 56.400 -0.011 0.000 0.804 1130 E CB -0.333 29.363 29.700 -0.008 0.000 0.741 1130 E HN 0.768 nan 8.360 nan 0.000 0.458 1131 N N 0.490 119.187 118.700 -0.006 0.000 2.135 1131 N HA -0.092 4.647 4.740 -0.001 0.000 0.186 1131 N C 1.698 177.205 175.510 -0.005 0.000 1.027 1131 N CA 0.556 53.603 53.050 -0.004 0.000 0.849 1131 N CB 0.003 38.489 38.487 -0.002 0.000 1.002 1131 N HN 0.088 nan 8.380 nan 0.000 0.425 1132 N N 1.458 120.153 118.700 -0.008 0.000 2.166 1132 N HA -0.085 4.655 4.740 -0.001 0.000 0.186 1132 N C 1.769 177.269 175.510 -0.017 0.000 1.019 1132 N CA 0.805 53.849 53.050 -0.009 0.000 0.856 1132 N CB -0.227 38.254 38.487 -0.011 0.000 0.993 1132 N HN 0.306 nan 8.380 nan 0.000 0.426 1133 I N 0.056 120.612 120.570 -0.023 0.000 2.226 1133 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 1133 I C 2.423 178.522 176.117 -0.030 0.000 1.100 1133 I CA 0.785 62.063 61.300 -0.037 0.000 1.374 1133 I CB -0.254 37.724 38.000 -0.036 0.000 1.057 1133 I HN 0.068 nan 8.210 nan 0.000 0.413 1134 S N 0.379 116.071 115.700 -0.013 0.000 2.368 1134 S HA -0.158 4.312 4.470 -0.001 0.000 0.225 1134 S C 2.200 176.806 174.600 0.011 0.000 1.030 1134 S CA 1.438 59.637 58.200 -0.001 0.000 0.999 1134 S CB -0.173 63.029 63.200 0.003 0.000 0.844 1134 S HN 0.485 nan 8.310 nan 0.000 0.459 1135 A N 1.268 124.093 122.820 0.009 0.000 1.902 1135 A HA 0.043 4.363 4.320 -0.001 0.000 0.217 1135 A C 2.184 179.788 177.584 0.032 0.000 1.181 1135 A CA 1.277 53.326 52.037 0.020 0.000 0.623 1135 A CB -0.800 18.208 19.000 0.014 0.000 0.818 1135 A HN 0.549 nan 8.150 nan 0.000 0.443 1136 L N -0.704 120.524 121.223 0.007 0.000 2.042 1136 L HA -0.283 4.057 4.340 -0.001 0.000 0.210 1136 L C 2.944 179.831 176.870 0.027 0.000 1.076 1136 L CA 1.708 56.547 54.840 -0.003 0.000 0.749 1136 L CB -0.559 41.454 42.059 -0.077 0.000 0.893 1136 L HN 0.519 nan 8.230 nan 0.000 0.432 1137 Q N -0.609 119.192 119.800 0.002 0.000 2.124 1137 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 1137 Q C 2.160 178.315 176.000 0.258 0.000 0.977 1137 Q CA 1.674 57.524 55.803 0.078 0.000 0.850 1137 Q CB -0.216 28.542 28.738 0.034 0.000 0.901 1137 Q HN 0.564 nan 8.270 nan 0.000 0.429 1138 A N 0.193 123.103 122.820 0.150 0.000 2.178 1138 A HA -0.061 4.258 4.320 -0.001 0.000 0.211 1138 A C 1.109 178.759 177.584 0.109 0.000 1.157 1138 A CA 0.995 53.102 52.037 0.116 0.000 0.780 1138 A CB 0.182 19.221 19.000 0.064 0.000 0.828 1138 A HN 0.305 nan 8.150 nan 0.000 0.476 1139 D N -1.899 118.591 120.400 0.149 0.000 2.469 1139 D HA 0.152 4.792 4.640 -0.001 0.000 0.213 1139 D C 0.099 176.489 176.300 0.149 0.000 1.135 1139 D CA -0.348 53.718 54.000 0.110 0.000 0.834 1139 D CB 0.136 40.983 40.800 0.078 0.000 1.009 1139 D HN 0.477 nan 8.370 nan 0.000 0.507 1140 Y N -0.652 119.651 120.300 0.004 0.000 2.403 1140 Y HA 0.611 5.160 4.550 -0.001 0.000 0.323 1140 Y C -0.694 175.209 175.900 0.005 0.000 1.226 1140 Y CA -1.559 56.544 58.100 0.004 0.000 1.235 1140 Y CB 0.598 39.060 38.460 0.004 0.000 1.248 1140 Y HN -0.304 nan 8.280 nan 0.000 0.489 1141 V N 4.318 124.107 119.914 -0.208 0.000 2.383 1141 V HA 0.366 4.486 4.120 -0.001 0.000 0.275 1141 V C 0.175 176.046 176.094 -0.373 0.000 1.036 1141 V CA -0.207 61.920 62.300 -0.288 0.000 0.889 1141 V CB 0.421 32.190 31.823 -0.091 0.000 0.985 1141 V HN 0.994 nan 8.190 nan 0.000 0.459 1142 S N 4.585 119.989 115.700 -0.494 0.000 2.690 1142 S HA 0.480 4.950 4.470 -0.001 0.000 0.291 1142 S C 0.470 175.019 174.600 -0.085 0.000 1.138 1142 S CA -0.774 57.268 58.200 -0.265 0.000 1.013 1142 S CB 1.653 64.674 63.200 -0.297 0.000 1.053 1142 S HN 0.648 nan 8.310 nan 0.000 0.539 1143 K N 0.100 120.500 120.400 -0.001 0.000 2.379 1143 K HA 0.118 4.438 4.320 -0.001 0.000 0.194 1143 K C 0.934 177.535 176.600 0.001 0.000 1.031 1143 K CA 0.519 56.809 56.287 0.005 0.000 1.037 1143 K CB -0.021 32.495 32.500 0.027 0.000 0.824 1143 K HN 0.634 nan 8.250 nan 0.000 0.516 1144 T N 0.662 115.216 114.554 0.001 0.000 3.018 1144 T HA 0.167 4.517 4.350 -0.001 0.000 0.246 1144 T C 0.712 175.404 174.700 -0.013 0.000 1.026 1144 T CA -0.128 61.974 62.100 0.003 0.000 1.081 1144 T CB 0.289 69.170 68.868 0.022 0.000 0.970 1144 T HN 0.194 nan 8.240 nan 0.000 0.475 1145 A N 2.309 125.106 122.820 -0.037 0.000 2.587 1145 A HA 0.256 4.576 4.320 -0.001 0.000 0.235 1145 A C 1.703 179.267 177.584 -0.035 0.000 1.044 1145 A CA 0.731 52.740 52.037 -0.046 0.000 0.754 1145 A CB -0.007 18.939 19.000 -0.091 0.000 0.968 1145 A HN 0.478 nan 8.150 nan 0.000 0.509 1146 T N -0.269 114.270 114.554 -0.025 0.000 3.039 1146 T HA 0.089 4.439 4.350 -0.001 0.000 0.250 1146 T C 0.865 175.552 174.700 -0.022 0.000 1.052 1146 T CA 0.992 63.081 62.100 -0.019 0.000 1.125 1146 T CB -0.408 68.453 68.868 -0.012 0.000 0.908 1146 T HN 0.552 nan 8.240 nan 0.000 0.473 1147 T N 3.578 118.117 114.554 -0.025 0.000 2.916 1147 T HA 0.333 4.682 4.350 -0.001 0.000 0.303 1147 T C 0.298 174.980 174.700 -0.031 0.000 1.025 1147 T CA -0.105 61.980 62.100 -0.024 0.000 1.142 1147 T CB 0.981 69.835 68.868 -0.023 0.000 0.947 1147 T HN 0.467 nan 8.240 nan 0.000 0.544 1148 S N 3.010 118.695 115.700 -0.026 0.000 2.642 1148 S HA -0.043 4.427 4.470 -0.001 0.000 0.308 1148 S C -0.021 174.558 174.600 -0.034 0.000 1.255 1148 S CA 0.123 58.306 58.200 -0.028 0.000 1.057 1148 S CB -0.007 63.179 63.200 -0.023 0.000 0.785 1148 S HN 0.589 nan 8.310 nan 0.000 0.500 1149 Q N 2.849 122.626 119.800 -0.039 0.000 2.309 1149 Q HA 0.548 4.888 4.340 -0.001 0.000 0.264 1149 Q C -0.913 175.067 176.000 -0.034 0.000 1.008 1149 Q CA -0.696 55.080 55.803 -0.046 0.000 0.853 1149 Q CB 2.067 30.766 28.738 -0.065 0.000 1.314 1149 Q HN 0.651 nan 8.270 nan 0.000 0.448 1150 S N 1.912 117.594 115.700 -0.030 0.000 2.526 1150 S HA 0.592 5.062 4.470 -0.001 0.000 0.293 1150 S C -0.691 173.899 174.600 -0.016 0.000 1.092 1150 S CA -0.741 57.446 58.200 -0.021 0.000 0.980 1150 S CB 1.017 64.207 63.200 -0.018 0.000 1.048 1150 S HN 0.390 nan 8.310 nan 0.000 0.483 1151 L N 1.444 122.661 121.223 -0.009 0.000 2.334 1151 L HA 0.698 5.037 4.340 -0.001 0.000 0.272 1151 L C 0.733 177.602 176.870 -0.001 0.000 1.020 1151 L CA -0.873 53.965 54.840 -0.002 0.000 0.812 1151 L CB 1.354 43.416 42.059 0.005 0.000 1.264 1151 L HN 0.839 nan 8.230 nan 0.000 0.439 1152 A N 0.927 123.749 122.820 0.003 0.000 2.460 1152 A HA 0.351 4.671 4.320 -0.001 0.000 0.258 1152 A C 0.433 178.020 177.584 0.005 0.000 1.300 1152 A CA 0.112 52.150 52.037 0.003 0.000 0.913 1152 A CB -0.202 18.800 19.000 0.004 0.000 1.031 1152 A HN 0.683 nan 8.150 nan 0.000 0.512 1153 S N -1.039 114.666 115.700 0.008 0.000 2.618 1153 S HA 0.766 5.235 4.470 -0.001 0.000 0.277 1153 S C -3.243 171.365 174.600 0.014 0.000 1.138 1153 S CA -1.213 56.994 58.200 0.011 0.000 0.844 1153 S CB 0.822 64.030 63.200 0.014 0.000 1.127 1153 S HN -0.015 nan 8.310 nan 0.000 0.474 1154 P HA 0.382 nan 4.420 nan 0.000 0.273 1154 P C -1.168 176.154 177.300 0.036 0.000 1.250 1154 P CA -0.761 62.352 63.100 0.022 0.000 0.793 1154 P CB 0.321 32.035 31.700 0.022 0.000 1.011 1155 L N 1.728 122.984 121.223 0.056 0.000 2.388 1155 L HA 0.590 4.930 4.340 -0.001 0.000 0.264 1155 L C -1.312 175.638 176.870 0.135 0.000 0.998 1155 L CA -0.582 54.312 54.840 0.089 0.000 0.817 1155 L CB 1.996 44.121 42.059 0.109 0.000 1.338 1155 L HN 0.470 nan 8.230 nan 0.000 0.414 1156 N N 2.700 121.467 118.700 0.112 0.000 2.454 1156 N HA 0.596 5.335 4.740 -0.001 0.000 0.291 1156 N C -0.930 174.587 175.510 0.011 0.000 1.079 1156 N CA -0.488 52.619 53.050 0.094 0.000 0.893 1156 N CB 1.970 40.489 38.487 0.052 0.000 1.512 1156 N HN 0.485 nan 8.380 nan 0.000 0.497 1157 V N 0.248 120.100 119.914 -0.104 0.000 3.240 1157 V HA 0.759 4.878 4.120 -0.001 0.000 0.306 1157 V C -0.220 175.755 176.094 -0.198 0.000 1.227 1157 V CA -0.480 61.676 62.300 -0.239 0.000 1.047 1157 V CB 1.455 32.937 31.823 -0.568 0.000 1.203 1157 V HN 0.547 nan 8.190 nan 0.000 0.471 1158 T N 0.744 115.181 114.554 -0.194 0.000 2.812 1158 T HA 0.544 4.894 4.350 -0.001 0.000 0.282 1158 T C 0.521 175.139 174.700 -0.137 0.000 0.990 1158 T CA 0.688 62.712 62.100 -0.128 0.000 0.960 1158 T CB 0.974 69.794 68.868 -0.080 0.000 0.948 1158 T HN 1.226 nan 8.240 nan 0.000 0.438 1159 T N 1.483 115.976 114.554 -0.101 0.000 9.639 1159 T HA -0.220 4.130 4.350 -0.001 0.000 0.362 1159 T C 0.328 174.979 174.700 -0.082 0.000 1.812 1159 T CA 1.819 63.874 62.100 -0.075 0.000 2.782 1159 T CB -1.562 67.272 68.868 -0.057 0.000 2.606 1159 T HN 1.329 nan 8.240 nan 0.000 1.105 1160 S N -1.345 114.263 115.700 -0.154 0.000 2.712 1160 S HA 0.591 5.061 4.470 -0.001 0.000 0.279 1160 S C -1.883 172.592 174.600 -0.208 0.000 1.025 1160 S CA -1.338 56.793 58.200 -0.115 0.000 0.861 1160 S CB 0.938 64.117 63.200 -0.036 0.000 1.091 1160 S HN 0.262 nan 8.310 nan 0.000 0.457 1161 Y N 1.034 121.327 120.300 -0.013 0.000 2.485 1161 Y HA 0.840 5.390 4.550 -0.001 0.000 0.345 1161 Y C 0.525 176.415 175.900 -0.017 0.000 0.998 1161 Y CA 0.232 58.323 58.100 -0.016 0.000 1.059 1161 Y CB 2.543 40.990 38.460 -0.021 0.000 1.234 1161 Y HN 1.251 nan 8.280 nan 0.000 0.461 1162 S N 0.529 116.325 115.700 0.160 0.000 2.587 1162 S HA 0.748 5.218 4.470 -0.001 0.000 0.269 1162 S C -1.685 172.949 174.600 0.056 0.000 1.154 1162 S CA -0.876 57.371 58.200 0.079 0.000 0.824 1162 S CB 1.366 64.593 63.200 0.045 0.000 1.118 1162 S HN 1.049 nan 8.310 nan 0.000 0.462 1163 V N -0.977 118.955 119.914 0.029 0.000 2.686 1163 V HA 0.829 4.948 4.120 -0.001 0.000 0.306 1163 V C 0.585 176.684 176.094 0.009 0.000 1.065 1163 V CA 0.617 62.927 62.300 0.016 0.000 0.894 1163 V CB 0.582 32.407 31.823 0.004 0.000 1.004 1163 V HN 2.690 nan 8.190 nan 0.000 0.424 1164 G N 3.294 112.099 108.800 0.007 0.000 2.221 1164 G HA2 0.125 4.085 3.960 -0.001 0.000 0.265 1164 G HA3 0.125 4.085 3.960 -0.001 0.000 0.265 1164 G C 1.666 176.569 174.900 0.006 0.000 1.041 1164 G CA 1.112 46.215 45.100 0.004 0.000 0.807 1164 G HN 2.804 nan 8.290 nan 0.000 0.502 1165 G N -1.266 107.539 108.800 0.008 0.000 2.396 1165 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.242 1165 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.242 1165 G C 0.550 175.454 174.900 0.008 0.000 1.069 1165 G CA 1.274 46.378 45.100 0.007 0.000 0.633 1165 G HN 1.269 nan 8.290 nan 0.000 0.517 1166 K N 1.532 121.937 120.400 0.008 0.000 2.276 1166 K HA 0.552 4.871 4.320 -0.001 0.000 0.283 1166 K C 0.611 177.219 176.600 0.014 0.000 1.044 1166 K CA -0.303 55.989 56.287 0.009 0.000 0.944 1166 K CB 1.349 33.852 32.500 0.006 0.000 1.012 1166 K HN 0.462 nan 8.250 nan 0.000 0.472 1167 K N 1.231 121.640 120.400 0.015 0.000 2.344 1167 K HA 0.042 4.362 4.320 -0.001 0.000 0.260 1167 K C 0.097 176.710 176.600 0.023 0.000 0.988 1167 K CA 0.129 56.430 56.287 0.023 0.000 0.909 1167 K CB 0.457 32.969 32.500 0.019 0.000 0.968 1167 K HN 0.326 nan 8.250 nan 0.000 0.505 1168 V N 1.817 121.751 119.914 0.034 0.000 3.119 1168 V HA 0.103 4.223 4.120 -0.001 0.000 0.245 1168 V C -0.983 175.122 176.094 0.019 0.000 1.598 1168 V CA -0.096 62.214 62.300 0.018 0.000 1.116 1168 V CB 1.485 33.313 31.823 0.010 0.000 0.981 1168 V HN 0.526 nan 8.190 nan 0.000 0.430 1169 V N -0.790 119.161 119.914 0.062 0.000 3.147 1169 V HA 0.962 5.082 4.120 -0.001 0.000 0.306 1169 V C 0.235 176.397 176.094 0.114 0.000 1.209 1169 V CA 0.236 62.582 62.300 0.076 0.000 1.023 1169 V CB 1.764 33.636 31.823 0.082 0.000 1.059 1169 V HN 0.345 nan 8.190 nan 0.000 0.435 1170 G N 0.363 109.218 108.800 0.091 0.000 2.871 1170 G HA2 0.746 4.705 3.960 -0.001 0.000 0.282 1170 G HA3 0.746 4.705 3.960 -0.001 0.000 0.282 1170 G C -0.630 174.310 174.900 0.067 0.000 1.212 1170 G CA -0.084 45.058 45.100 0.069 0.000 0.812 1170 G HN 1.143 nan 8.290 nan 0.000 0.547 1171 A N -0.091 122.753 122.820 0.041 0.000 2.462 1171 A HA 0.558 4.878 4.320 -0.001 0.000 0.243 1171 A C 0.934 178.543 177.584 0.041 0.000 1.076 1171 A CA 0.108 52.168 52.037 0.039 0.000 0.773 1171 A CB 0.006 19.023 19.000 0.027 0.000 1.010 1171 A HN 1.019 nan 8.150 nan 0.000 0.493 1172 R N 1.736 122.261 120.500 0.041 0.000 2.640 1172 R HA 0.104 4.444 4.340 -0.001 0.000 0.270 1172 R C -0.461 175.869 176.300 0.050 0.000 1.024 1172 R CA 0.345 56.467 56.100 0.035 0.000 1.085 1172 R CB 0.213 30.532 30.300 0.033 0.000 0.963 1172 R HN 0.679 nan 8.270 nan 0.000 0.426 1173 Q N 2.008 121.842 119.800 0.057 0.000 2.288 1173 Q HA 0.162 4.502 4.340 -0.001 0.000 0.258 1173 Q C -0.327 175.775 176.000 0.170 0.000 0.957 1173 Q CA 0.163 56.034 55.803 0.114 0.000 0.919 1173 Q CB 1.943 30.772 28.738 0.151 0.000 1.185 1173 Q HN 0.743 nan 8.270 nan 0.000 0.408 1174 T N 0.690 115.341 114.554 0.162 0.000 2.880 1174 T HA 0.576 4.926 4.350 -0.001 0.000 0.279 1174 T C 0.889 175.703 174.700 0.189 0.000 0.990 1174 T CA 0.537 62.734 62.100 0.161 0.000 0.938 1174 T CB 0.496 69.419 68.868 0.091 0.000 1.206 1174 T HN 0.844 nan 8.240 nan 0.000 0.573 1175 G N 0.030 108.904 108.800 0.123 0.000 2.225 1175 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.254 1175 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.254 1175 G C -0.004 174.896 174.900 0.001 0.000 0.988 1175 G CA 0.144 45.266 45.100 0.037 0.000 0.625 1175 G HN 0.652 nan 8.290 nan 0.000 0.527 1176 W N 2.055 123.358 121.300 0.005 0.000 2.381 1176 W HA 0.544 5.203 4.660 -0.001 0.000 0.321 1176 W C 0.570 177.091 176.519 0.004 0.000 1.407 1176 W CA 0.627 57.974 57.345 0.004 0.000 1.274 1176 W CB 0.678 30.141 29.460 0.005 0.000 1.310 1176 W HN 0.022 nan 8.180 nan 0.000 0.551 1177 T N 4.124 118.749 114.554 0.119 0.000 2.743 1177 T HA 0.533 4.883 4.350 -0.001 0.000 0.292 1177 T C 0.383 175.166 174.700 0.139 0.000 0.972 1177 T CA -0.664 61.490 62.100 0.090 0.000 0.967 1177 T CB 0.714 69.591 68.868 0.014 0.000 0.926 1177 T HN 0.530 nan 8.240 nan 0.000 0.459 1178 A N 3.061 125.959 122.820 0.130 0.000 2.520 1178 A HA 0.600 4.919 4.320 -0.001 0.000 0.235 1178 A C 0.812 178.449 177.584 0.087 0.000 1.065 1178 A CA -0.425 51.683 52.037 0.118 0.000 0.764 1178 A CB -0.100 18.946 19.000 0.077 0.000 1.002 1178 A HN 1.033 nan 8.150 nan 0.000 0.502 1179 A N 1.192 124.064 122.820 0.086 0.000 2.271 1179 A HA 0.685 5.005 4.320 -0.001 0.000 0.288 1179 A C 0.797 178.406 177.584 0.042 0.000 1.094 1179 A CA 0.298 52.372 52.037 0.062 0.000 0.828 1179 A CB 0.146 19.186 19.000 0.068 0.000 1.091 1179 A HN 1.718 nan 8.150 nan 0.000 0.493 1180 T N -1.809 112.764 114.554 0.032 0.000 2.889 1180 T HA 0.775 5.124 4.350 -0.001 0.000 0.278 1180 T C 0.646 175.358 174.700 0.021 0.000 0.995 1180 T CA 0.500 62.614 62.100 0.023 0.000 0.966 1180 T CB 0.968 69.848 68.868 0.019 0.000 1.237 1180 T HN 2.690 nan 8.240 nan 0.000 0.591 1181 G N 0.086 108.896 108.800 0.016 0.000 2.615 1181 G HA2 0.042 4.001 3.960 -0.001 0.000 0.218 1181 G HA3 0.042 4.001 3.960 -0.001 0.000 0.218 1181 G C -0.327 174.581 174.900 0.013 0.000 1.339 1181 G CA -0.273 44.836 45.100 0.015 0.000 0.884 1181 G HN 1.137 nan 8.290 nan 0.000 0.559 1182 T N 0.811 115.374 114.554 0.014 0.000 2.859 1182 T HA 0.747 5.097 4.350 -0.001 0.000 0.281 1182 T C 0.604 175.311 174.700 0.012 0.000 1.005 1182 T CA 0.618 62.725 62.100 0.011 0.000 1.025 1182 T CB 1.598 70.473 68.868 0.012 0.000 0.977 1182 T HN 1.763 nan 8.240 nan 0.000 0.458 1183 A N 2.612 125.436 122.820 0.006 0.000 2.310 1183 A HA 0.629 4.948 4.320 -0.001 0.000 0.299 1183 A C 0.067 177.653 177.584 0.004 0.000 1.147 1183 A CA -0.733 51.305 52.037 0.002 0.000 0.818 1183 A CB 0.148 19.143 19.000 -0.009 0.000 1.096 1183 A HN 0.795 nan 8.150 nan 0.000 0.495 1184 N N 0.922 119.625 118.700 0.004 0.000 2.457 1184 N HA 0.356 5.096 4.740 -0.001 0.000 0.250 1184 N C -0.520 174.985 175.510 -0.008 0.000 0.982 1184 N CA -0.144 52.915 53.050 0.016 0.000 0.941 1184 N CB 0.666 39.183 38.487 0.050 0.000 1.120 1184 N HN 0.508 nan 8.380 nan 0.000 0.505 1185 K N 2.055 122.455 120.400 -0.001 0.000 2.972 1185 K HA 0.324 4.644 4.320 -0.001 0.000 0.209 1185 K C 0.001 176.608 176.600 0.012 0.000 1.128 1185 K CA -0.590 55.689 56.287 -0.013 0.000 1.024 1185 K CB 0.805 33.292 32.500 -0.022 0.000 0.754 1185 K HN 0.667 nan 8.250 nan 0.000 0.454 1186 G N 0.079 108.905 108.800 0.042 0.000 2.990 1186 G HA2 0.321 4.281 3.960 -0.001 0.000 0.208 1186 G HA3 0.321 4.281 3.960 -0.001 0.000 0.208 1186 G C -0.243 174.713 174.900 0.093 0.000 1.334 1186 G CA -0.532 44.601 45.100 0.055 0.000 1.024 1186 G HN 0.078 nan 8.290 nan 0.000 0.574 1187 V N -1.901 118.064 119.914 0.085 0.000 2.617 1187 V HA 0.518 4.637 4.120 -0.001 0.000 0.304 1187 V C -0.703 175.497 176.094 0.178 0.000 1.040 1187 V CA -0.129 62.231 62.300 0.100 0.000 1.149 1187 V CB 0.213 32.068 31.823 0.053 0.000 0.914 1187 V HN 0.584 nan 8.190 nan 0.000 0.487 1188 F N 3.584 123.535 119.950 0.002 0.000 2.831 1188 F HA 0.543 5.069 4.527 -0.001 0.000 0.346 1188 F C -0.832 174.969 175.800 0.003 0.000 1.224 1188 F CA -0.749 57.252 58.000 0.003 0.000 1.048 1188 F CB 1.435 40.437 39.000 0.003 0.000 1.339 1188 F HN 0.723 nan 8.300 nan 0.000 0.514 1189 D N 4.811 125.037 120.400 -0.290 0.000 2.280 1189 D HA 0.652 5.291 4.640 -0.001 0.000 0.236 1189 D C -0.455 175.646 176.300 -0.332 0.000 1.082 1189 D CA 0.079 53.964 54.000 -0.191 0.000 0.834 1189 D CB 1.774 42.498 40.800 -0.127 0.000 1.100 1189 D HN 0.685 nan 8.370 nan 0.000 0.486 1204 E N 1.625 121.823 120.200 -0.004 0.000 2.526 1204 E HA -0.031 4.318 4.350 -0.001 0.000 0.206 1204 E C 1.275 177.872 176.600 -0.005 0.000 1.139 1204 E CA 0.264 56.661 56.400 -0.005 0.000 0.913 1204 E CB -0.649 29.047 29.700 -0.006 0.000 0.868 1204 E HN 0.539 nan 8.360 nan 0.000 0.564 1205 I N -1.180 119.388 120.570 -0.003 0.000 2.928 1205 I HA -0.202 3.968 4.170 -0.001 0.000 0.266 1205 I C 1.275 177.391 176.117 -0.002 0.000 1.234 1205 I CA 0.685 61.983 61.300 -0.002 0.000 1.483 1205 I CB 0.179 38.179 38.000 -0.000 0.000 1.097 1205 I HN -0.015 nan 8.210 nan 0.000 0.455 1206 Q N 2.274 122.073 119.800 -0.002 0.000 2.096 1206 Q HA -0.011 4.329 4.340 -0.001 0.000 0.204 1206 Q C 1.253 177.251 176.000 -0.003 0.000 0.982 1206 Q CA 1.449 57.251 55.803 -0.001 0.000 0.850 1206 Q CB -0.491 28.246 28.738 -0.002 0.000 0.901 1206 Q HN 0.671 nan 8.270 nan 0.000 0.422 1207 A N 1.203 124.019 122.820 -0.007 0.000 2.506 1207 A HA 0.450 4.769 4.320 -0.001 0.000 0.320 1207 A C 0.693 178.269 177.584 -0.012 0.000 1.424 1207 A CA -0.074 51.956 52.037 -0.012 0.000 1.044 1207 A CB 0.082 19.072 19.000 -0.017 0.000 1.140 1207 A HN 0.383 nan 8.150 nan 0.000 0.538 1208 I N 0.526 121.091 120.570 -0.009 0.000 3.880 1208 I HA -0.116 4.054 4.170 -0.001 0.000 0.352 1208 I C 0.992 177.111 176.117 0.003 0.000 0.550 1208 I CA 1.235 62.532 61.300 -0.006 0.000 1.218 1208 I CB -1.157 36.840 38.000 -0.004 0.000 3.665 1208 I HN 0.489 nan 8.210 nan 0.000 1.040 1209 A N 0.657 123.479 122.820 0.004 0.000 1.993 1209 A HA 0.236 4.555 4.320 -0.001 0.000 0.207 1209 A C 1.622 179.214 177.584 0.012 0.000 1.224 1209 A CA 1.188 53.231 52.037 0.010 0.000 0.749 1209 A CB -0.431 18.573 19.000 0.007 0.000 0.884 1209 A HN 0.538 nan 8.150 nan 0.000 0.467 1210 N N 0.252 118.956 118.700 0.007 0.000 2.216 1210 N HA -0.039 4.700 4.740 -0.001 0.000 0.183 1210 N C 1.881 177.399 175.510 0.012 0.000 1.017 1210 N CA 0.834 53.890 53.050 0.009 0.000 0.861 1210 N CB -0.084 38.404 38.487 0.002 0.000 0.986 1210 N HN 0.458 nan 8.380 nan 0.000 0.428 1211 A N 0.911 123.731 122.820 0.001 0.000 1.968 1211 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 1211 A C 2.041 179.646 177.584 0.035 0.000 1.169 1211 A CA 0.718 52.751 52.037 -0.007 0.000 0.638 1211 A CB -0.405 18.572 19.000 -0.040 0.000 0.812 1211 A HN 0.216 nan 8.150 nan 0.000 0.446 1212 L N 0.246 121.490 121.223 0.035 0.000 2.027 1212 L HA -0.087 4.253 4.340 -0.001 0.000 0.206 1212 L C 2.226 179.135 176.870 0.064 0.000 1.074 1212 L CA 1.678 56.550 54.840 0.052 0.000 0.745 1212 L CB -0.494 41.586 42.059 0.036 0.000 0.898 1212 L HN 0.440 nan 8.230 nan 0.000 0.433 1213 I N -0.490 120.110 120.570 0.050 0.000 2.113 1213 I HA -0.397 3.773 4.170 -0.001 0.000 0.242 1213 I C 2.449 178.608 176.117 0.070 0.000 1.064 1213 I CA 2.121 63.451 61.300 0.050 0.000 1.320 1213 I CB -1.066 36.956 38.000 0.037 0.000 1.028 1213 I HN 0.505 nan 8.210 nan 0.000 0.406 1214 T N -1.589 113.018 114.554 0.089 0.000 2.821 1214 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 1214 T C 1.666 176.490 174.700 0.208 0.000 1.046 1214 T CA 1.375 63.555 62.100 0.134 0.000 1.139 1214 T CB -0.295 68.659 68.868 0.143 0.000 0.871 1214 T HN 0.363 nan 8.240 nan 0.000 0.454 1215 E N 1.841 122.187 120.200 0.244 0.000 2.031 1215 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 1215 E C 2.458 179.134 176.600 0.127 0.000 0.994 1215 E CA 1.293 57.875 56.400 0.303 0.000 0.800 1215 E CB -0.322 29.532 29.700 0.256 0.000 0.752 1215 E HN 0.560 nan 8.360 nan 0.000 0.447 1216 R N -0.006 120.551 120.500 0.094 0.000 2.083 1216 R HA -0.038 4.302 4.340 -0.001 0.000 0.237 1216 R C 2.627 178.953 176.300 0.042 0.000 1.137 1216 R CA 1.655 57.791 56.100 0.060 0.000 0.951 1216 R CB -0.407 29.924 30.300 0.052 0.000 0.851 1216 R HN 0.178 nan 8.270 nan 0.000 0.434 1217 R N 0.142 120.670 120.500 0.047 0.000 2.193 1217 R HA -0.118 4.221 4.340 -0.001 0.000 0.229 1217 R C 2.222 178.521 176.300 -0.002 0.000 1.110 1217 R CA 0.961 57.078 56.100 0.029 0.000 0.988 1217 R CB -0.173 30.150 30.300 0.039 0.000 0.871 1217 R HN 0.031 nan 8.270 nan 0.000 0.458 1218 R N 0.320 120.806 120.500 -0.024 0.000 2.055 1218 R HA -0.026 4.314 4.340 -0.001 0.000 0.228 1218 R C 1.991 178.225 176.300 -0.110 0.000 1.143 1218 R CA 1.901 57.919 56.100 -0.138 0.000 0.945 1218 R CB -0.782 29.316 30.300 -0.337 0.000 0.841 1218 R HN -0.021 nan 8.270 nan 0.000 0.429 1219 T N 0.825 115.342 114.554 -0.061 0.000 2.803 1219 T HA -0.174 4.176 4.350 -0.001 0.000 0.269 1219 T C 1.575 176.274 174.700 -0.003 0.000 1.052 1219 T CA 1.758 63.844 62.100 -0.023 0.000 1.136 1219 T CB -0.199 68.686 68.868 0.027 0.000 0.864 1219 T HN 0.309 nan 8.240 nan 0.000 0.467 1220 K N 0.880 121.282 120.400 0.003 0.000 2.148 1220 K HA 0.072 4.392 4.320 -0.001 0.000 0.204 1220 K C 2.310 178.902 176.600 -0.014 0.000 1.050 1220 K CA 1.063 57.357 56.287 0.012 0.000 0.942 1220 K CB -0.202 32.309 32.500 0.017 0.000 0.724 1220 K HN 0.279 nan 8.250 nan 0.000 0.446 1221 A N 0.725 123.524 122.820 -0.036 0.000 1.930 1221 A HA -0.036 4.284 4.320 -0.001 0.000 0.215 1221 A C 2.033 179.579 177.584 -0.062 0.000 1.176 1221 A CA 1.048 53.056 52.037 -0.049 0.000 0.632 1221 A CB -0.350 18.613 19.000 -0.061 0.000 0.819 1221 A HN 0.421 nan 8.150 nan 0.000 0.445 1222 M N -0.880 118.674 119.600 -0.075 0.000 2.476 1222 M HA -0.052 4.427 4.480 -0.001 0.000 0.262 1222 M C 1.789 178.031 176.300 -0.096 0.000 1.079 1222 M CA 1.226 56.475 55.300 -0.084 0.000 1.104 1222 M CB 0.054 32.598 32.600 -0.093 0.000 1.409 1222 M HN 0.596 nan 8.290 nan 0.000 0.467 1223 E N -0.349 119.801 120.200 -0.083 0.000 2.166 1223 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 1223 E C 1.165 177.709 176.600 -0.093 0.000 0.967 1223 E CA 0.676 57.005 56.400 -0.118 0.000 0.840 1223 E CB 0.262 29.944 29.700 -0.031 0.000 0.795 1223 E HN 0.412 nan 8.360 nan 0.000 0.470 1224 D N 0.986 121.352 120.400 -0.057 0.000 2.106 1224 D HA -0.209 4.431 4.640 -0.001 0.000 0.191 1224 D C 1.766 178.022 176.300 -0.073 0.000 0.997 1224 D CA 1.527 55.495 54.000 -0.053 0.000 0.834 1224 D CB -0.425 40.349 40.800 -0.044 0.000 0.956 1224 D HN 0.245 nan 8.370 nan 0.000 0.448 1225 A N 0.693 123.471 122.820 -0.069 0.000 1.834 1225 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 1225 A C 2.251 179.827 177.584 -0.012 0.000 1.203 1225 A CA 1.346 53.348 52.037 -0.059 0.000 0.621 1225 A CB -1.099 17.893 19.000 -0.014 0.000 0.841 1225 A HN 0.178 nan 8.150 nan 0.000 0.446 1226 L N -0.499 120.717 121.223 -0.012 0.000 2.010 1226 L HA -0.241 4.098 4.340 -0.001 0.000 0.219 1226 L C 2.705 179.542 176.870 -0.055 0.000 1.077 1226 L CA 2.383 57.203 54.840 -0.034 0.000 0.773 1226 L CB -0.639 41.297 42.059 -0.206 0.000 0.892 1226 L HN 0.413 nan 8.230 nan 0.000 0.436 1227 R N -1.448 118.986 120.500 -0.109 0.000 2.081 1227 R HA -0.158 4.181 4.340 -0.001 0.000 0.235 1227 R C 2.210 178.476 176.300 -0.056 0.000 1.131 1227 R CA 1.239 57.289 56.100 -0.084 0.000 0.960 1227 R CB -0.355 29.905 30.300 -0.067 0.000 0.856 1227 R HN 0.451 nan 8.270 nan 0.000 0.436 1228 A N 0.362 123.130 122.820 -0.086 0.000 1.940 1228 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 1228 A C 1.790 179.288 177.584 -0.143 0.000 1.176 1228 A CA 1.400 53.358 52.037 -0.131 0.000 0.631 1228 A CB -0.667 18.213 19.000 -0.199 0.000 0.814 1228 A HN 0.365 nan 8.150 nan 0.000 0.446 1229 H N -1.543 117.487 119.070 -0.067 0.000 2.357 1229 H HA 0.060 4.616 4.556 -0.001 0.000 0.301 1229 H C 1.904 177.199 175.328 -0.055 0.000 1.082 1229 H CA 1.658 57.667 56.048 -0.065 0.000 1.342 1229 H CB -0.076 29.638 29.762 -0.080 0.000 1.389 1229 H HN 0.656 nan 8.280 nan 0.000 0.511 1230 G N -0.447 108.394 108.800 0.069 0.000 2.192 1230 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.193 1230 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.193 1230 G C 1.027 175.932 174.900 0.008 0.000 0.999 1230 G CA 0.339 45.455 45.100 0.027 0.000 0.659 1230 G HN 0.241 nan 8.290 nan 0.000 0.503 1231 L N 1.047 122.267 121.223 -0.005 0.000 2.191 1231 L HA 0.352 4.692 4.340 -0.001 0.000 0.212 1231 L C 1.610 178.425 176.870 -0.092 0.000 1.103 1231 L CA 1.964 56.771 54.840 -0.055 0.000 0.769 1231 L CB -0.394 41.607 42.059 -0.097 0.000 0.908 1231 L HN 0.668 nan 8.230 nan 0.000 0.438 1232 I N -5.636 114.855 120.570 -0.132 0.000 2.934 1232 I HA 0.384 4.553 4.170 -0.001 0.000 0.306 1232 I C 0.043 176.126 176.117 -0.056 0.000 1.110 1232 I CA -1.036 60.152 61.300 -0.186 0.000 1.019 1232 I CB 1.721 39.365 38.000 -0.592 0.000 1.227 1232 I HN -0.227 nan 8.210 nan 0.000 0.434 1233 D N 0.000 120.439 120.400 0.064 0.000 6.856 1233 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 1233 D CA 0.000 54.068 54.000 0.113 0.000 0.868 1233 D CB 0.000 40.902 40.800 0.170 0.000 0.688 1233 D HN 0.000 nan 8.370 nan 0.000 0.683