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 2zzx_1_B DATA FIRST_RESID 1033 DATA SEQUENCE RYRWRIQTAW DAGTVGYSLF QKFTERVKEL TDGQLEVQPF PAGAVVGTFD DATA SEQUENCE MFDAVKTGVL DGMNPFTLYW AGRMPVTAFL SSYALGLDRP DQWETWFYSL DATA SEQUENCE GGLDIARRAF AEQGLFYVGP VQHDLNIIHS KKPIRRFEDF KGVKLRVPGG DATA SEQUENCE MIAEVFAAAG ASTVLLPGGE VYPALERGVI DAADFVGPAV NYNLGFHQVA DATA SEQUENCE KYIIMGPPET PAIHQPVDLM DFTINLNRWR SLPKPLQERF IAAVHEYSWI DATA SEQUENCE HYAGIQKANL EAWPKYRQAG VEVIRLSNED VRKFRRLAIP IWFKWAKMDK DATA SEQUENCE YSREAFASQL EYMKGIGYVT DEELKGLS 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 1033 R HA 0.000 nan 4.340 nan 0.000 0.208 1033 R C 0.000 175.954 176.300 -0.576 0.000 0.893 1033 R CA 0.000 55.859 56.100 -0.402 0.000 0.921 1033 R CB 0.000 29.985 30.300 -0.526 0.000 0.687 1034 Y N 1.135 121.347 120.300 -0.147 0.000 2.409 1034 Y HA 0.840 5.392 4.550 0.004 0.000 0.343 1034 Y C 0.164 175.935 175.900 -0.215 0.000 0.973 1034 Y CA -0.487 57.497 58.100 -0.194 0.000 1.064 1034 Y CB 1.937 40.203 38.460 -0.322 0.000 1.207 1034 Y HN 0.274 nan 8.280 nan 0.000 0.452 1035 R N 1.998 122.523 120.500 0.042 0.000 2.538 1035 R HA 0.690 5.032 4.340 0.004 0.000 0.292 1035 R C -2.025 174.441 176.300 0.277 0.000 1.008 1035 R CA -0.913 55.225 56.100 0.063 0.000 0.896 1035 R CB 0.815 31.160 30.300 0.076 0.000 1.187 1035 R HN 0.687 nan 8.270 nan 0.000 0.440 1036 W N 1.510 122.856 121.300 0.078 0.000 2.706 1036 W HA 0.686 5.348 4.660 0.003 0.000 0.346 1036 W C 0.154 176.774 176.519 0.169 0.000 1.071 1036 W CA -1.486 55.918 57.345 0.098 0.000 1.206 1036 W CB 1.802 31.298 29.460 0.061 0.000 1.413 1036 W HN 0.605 nan 8.180 nan 0.000 0.542 1037 R N 2.552 123.301 120.500 0.414 0.000 2.338 1037 R HA 0.686 5.028 4.340 0.004 0.000 0.317 1037 R C -0.708 175.838 176.300 0.409 0.000 0.968 1037 R CA -0.812 55.559 56.100 0.452 0.000 0.849 1037 R CB 1.612 32.115 30.300 0.337 0.000 1.128 1037 R HN 0.372 nan 8.270 nan 0.000 0.448 1038 I N 2.289 123.199 120.570 0.567 0.000 2.499 1038 I HA 0.214 4.386 4.170 0.004 0.000 0.288 1038 I C -0.441 176.062 176.117 0.643 0.000 1.048 1038 I CA -0.702 60.924 61.300 0.544 0.000 1.062 1038 I CB 2.429 40.847 38.000 0.698 0.000 1.238 1038 I HN 0.440 nan 8.210 nan 0.000 0.426 1039 Q N 3.690 123.710 119.800 0.366 0.000 2.235 1039 Q HA 0.480 4.822 4.340 0.004 0.000 0.256 1039 Q C -0.780 175.192 176.000 -0.045 0.000 0.951 1039 Q CA -0.343 55.619 55.803 0.265 0.000 0.890 1039 Q CB 2.334 31.166 28.738 0.156 0.000 1.279 1039 Q HN 0.669 nan 8.270 nan 0.000 0.444 1040 T N 0.740 115.126 114.554 -0.280 0.000 2.952 1040 T HA 0.582 4.934 4.350 0.004 0.000 0.286 1040 T C 0.482 174.982 174.700 -0.334 0.000 1.024 1040 T CA 0.162 61.898 62.100 -0.605 0.000 1.029 1040 T CB 1.303 69.480 68.868 -1.152 0.000 1.094 1040 T HN 0.694 nan 8.240 nan 0.000 0.515 1041 A N 1.989 124.508 122.820 -0.502 0.000 2.167 1041 A HA 0.198 4.520 4.320 0.004 0.000 0.214 1041 A C 0.536 178.032 177.584 -0.146 0.000 1.151 1041 A CA -0.184 51.651 52.037 -0.337 0.000 0.735 1041 A CB -0.533 18.095 19.000 -0.621 0.000 0.802 1041 A HN 0.830 nan 8.150 nan 0.000 0.467 1042 W N 1.765 122.995 121.300 -0.117 0.000 2.253 1042 W HA 0.185 4.847 4.660 0.003 0.000 0.322 1042 W C -0.214 176.324 176.519 0.032 0.000 1.342 1042 W CA -0.913 56.466 57.345 0.056 0.000 1.218 1042 W CB 0.490 30.017 29.460 0.112 0.000 1.205 1042 W HN 0.223 nan 8.180 nan 0.000 0.551 1043 D N 1.893 122.519 120.400 0.377 0.000 2.344 1043 D HA 0.270 4.912 4.640 0.004 0.000 0.244 1043 D C 0.253 176.572 176.300 0.032 0.000 1.134 1043 D CA -0.103 53.974 54.000 0.128 0.000 0.930 1043 D CB 1.133 42.005 40.800 0.121 0.000 1.175 1043 D HN 0.405 nan 8.370 nan 0.000 0.437 1044 A N 0.084 122.830 122.820 -0.124 0.000 2.507 1044 A HA 0.396 4.718 4.320 0.004 0.000 0.235 1044 A C 1.314 178.909 177.584 0.018 0.000 1.070 1044 A CA 0.629 52.577 52.037 -0.149 0.000 0.768 1044 A CB -0.100 18.815 19.000 -0.142 0.000 1.011 1044 A HN 0.819 nan 8.150 nan 0.000 0.502 1045 G N 0.338 109.193 108.800 0.093 0.000 2.153 1045 G HA2 -0.126 3.836 3.960 0.004 0.000 0.252 1045 G HA3 -0.126 3.836 3.960 0.004 0.000 0.252 1045 G C 0.403 175.335 174.900 0.054 0.000 0.994 1045 G CA 1.327 46.468 45.100 0.068 0.000 0.698 1045 G HN 2.220 nan 8.290 nan 0.000 0.521 1046 T N -3.797 110.807 114.554 0.084 0.000 2.932 1046 T HA 0.667 5.019 4.350 0.004 0.000 0.289 1046 T C 1.300 175.955 174.700 -0.075 0.000 1.039 1046 T CA -0.050 62.046 62.100 -0.007 0.000 1.024 1046 T CB 2.213 71.074 68.868 -0.012 0.000 1.090 1046 T HN 0.444 nan 8.240 nan 0.000 0.496 1047 V N 1.872 121.672 119.914 -0.189 0.000 2.407 1047 V HA -0.034 4.088 4.120 0.004 0.000 0.248 1047 V C 2.855 178.754 176.094 -0.325 0.000 1.055 1047 V CA 2.495 64.666 62.300 -0.216 0.000 1.049 1047 V CB -1.433 30.246 31.823 -0.240 0.000 0.662 1047 V HN 1.121 nan 8.190 nan 0.000 0.455 1048 G N -1.411 106.946 108.800 -0.739 0.000 2.440 1048 G HA2 -0.347 3.615 3.960 0.004 0.000 0.218 1048 G HA3 -0.347 3.615 3.960 0.004 0.000 0.218 1048 G C 1.564 176.252 174.900 -0.353 0.000 1.154 1048 G CA 1.187 45.541 45.100 -1.245 0.000 0.767 1048 G HN 0.544 nan 8.290 nan 0.000 0.552 1049 Y N 2.031 122.237 120.300 -0.156 0.000 2.242 1049 Y HA -0.062 4.490 4.550 0.004 0.000 0.291 1049 Y C 3.064 179.104 175.900 0.233 0.000 1.137 1049 Y CA 1.319 59.547 58.100 0.214 0.000 1.181 1049 Y CB -0.275 38.306 38.460 0.201 0.000 0.989 1049 Y HN 0.222 nan 8.280 nan 0.000 0.527 1050 S N 0.380 116.090 115.700 0.017 0.000 2.370 1050 S HA -0.194 4.278 4.470 0.004 0.000 0.226 1050 S C 2.084 176.693 174.600 0.016 0.000 1.033 1050 S CA 1.626 59.802 58.200 -0.041 0.000 1.011 1050 S CB -0.570 62.625 63.200 -0.008 0.000 0.852 1050 S HN 0.454 nan 8.310 nan 0.000 0.457 1051 L N -0.144 121.146 121.223 0.112 0.000 2.046 1051 L HA -0.091 4.251 4.340 0.004 0.000 0.208 1051 L C 2.234 179.370 176.870 0.444 0.000 1.077 1051 L CA 1.267 56.277 54.840 0.284 0.000 0.747 1051 L CB -0.503 41.758 42.059 0.338 0.000 0.896 1051 L HN 0.268 nan 8.230 nan 0.000 0.432 1052 F N 0.869 120.983 119.950 0.272 0.000 2.134 1052 F HA -0.252 4.277 4.527 0.003 0.000 0.299 1052 F C 2.608 178.430 175.800 0.036 0.000 1.097 1052 F CA 1.632 59.760 58.000 0.212 0.000 1.264 1052 F CB -0.290 38.866 39.000 0.260 0.000 1.001 1052 F HN 0.053 nan 8.300 nan 0.000 0.479 1053 Q N 0.280 119.955 119.800 -0.208 0.000 2.096 1053 Q HA -0.222 4.120 4.340 0.004 0.000 0.204 1053 Q C 2.463 178.344 176.000 -0.199 0.000 0.982 1053 Q CA 2.413 58.022 55.803 -0.323 0.000 0.850 1053 Q CB -0.448 28.089 28.738 -0.334 0.000 0.901 1053 Q HN 0.534 nan 8.270 nan 0.000 0.422 1054 K N 0.685 121.041 120.400 -0.075 0.000 2.097 1054 K HA -0.165 4.157 4.320 0.004 0.000 0.206 1054 K C 1.532 178.107 176.600 -0.042 0.000 1.049 1054 K CA 1.420 57.692 56.287 -0.025 0.000 0.933 1054 K CB -1.155 31.382 32.500 0.062 0.000 0.717 1054 K HN 0.309 nan 8.250 nan 0.000 0.442 1055 F N 2.727 122.545 119.950 -0.220 0.000 2.171 1055 F HA -0.195 4.334 4.527 0.004 0.000 0.300 1055 F C 2.546 178.127 175.800 -0.365 0.000 1.090 1055 F CA 2.720 60.489 58.000 -0.385 0.000 1.293 1055 F CB -0.592 37.843 39.000 -0.941 0.000 1.013 1055 F HN 0.330 nan 8.300 nan 0.000 0.486 1056 T N -2.066 112.173 114.554 -0.525 0.000 2.833 1056 T HA -0.205 4.148 4.350 0.004 0.000 0.269 1056 T C 1.642 176.103 174.700 -0.399 0.000 1.054 1056 T CA 1.660 63.449 62.100 -0.518 0.000 1.135 1056 T CB -0.695 67.966 68.868 -0.345 0.000 0.869 1056 T HN 0.541 nan 8.240 nan 0.000 0.466 1057 E N 0.800 120.824 120.200 -0.294 0.000 2.072 1057 E HA -0.057 4.295 4.350 0.004 0.000 0.190 1057 E C 2.448 178.914 176.600 -0.224 0.000 0.982 1057 E CA 0.826 57.102 56.400 -0.206 0.000 0.803 1057 E CB -0.174 29.444 29.700 -0.136 0.000 0.755 1057 E HN 0.329 nan 8.360 nan 0.000 0.453 1058 R N 1.376 121.717 120.500 -0.265 0.000 2.096 1058 R HA -0.121 4.222 4.340 0.004 0.000 0.235 1058 R C 2.048 178.165 176.300 -0.305 0.000 1.127 1058 R CA 1.095 57.058 56.100 -0.229 0.000 0.968 1058 R CB -0.753 29.452 30.300 -0.159 0.000 0.861 1058 R HN 0.032 nan 8.270 nan 0.000 0.440 1059 V N 1.134 120.740 119.914 -0.514 0.000 2.343 1059 V HA -0.250 3.872 4.120 0.004 0.000 0.247 1059 V C 2.430 178.381 176.094 -0.239 0.000 1.051 1059 V CA 2.240 64.284 62.300 -0.427 0.000 1.036 1059 V CB -0.579 30.928 31.823 -0.526 0.000 0.654 1059 V HN 0.427 nan 8.190 nan 0.000 0.451 1060 K N 0.048 120.314 120.400 -0.223 0.000 2.063 1060 K HA -0.276 4.046 4.320 0.004 0.000 0.208 1060 K C 2.240 178.766 176.600 -0.122 0.000 1.048 1060 K CA 2.125 58.321 56.287 -0.153 0.000 0.928 1060 K CB -0.147 32.271 32.500 -0.137 0.000 0.713 1060 K HN 0.595 nan 8.250 nan 0.000 0.442 1061 E N 0.509 120.635 120.200 -0.123 0.000 2.051 1061 E HA -0.178 4.174 4.350 0.004 0.000 0.192 1061 E C 1.970 178.523 176.600 -0.079 0.000 0.991 1061 E CA 1.118 57.464 56.400 -0.090 0.000 0.799 1061 E CB -0.032 29.618 29.700 -0.082 0.000 0.748 1061 E HN 0.333 nan 8.360 nan 0.000 0.449 1062 L N 0.350 121.518 121.223 -0.091 0.000 2.362 1062 L HA -0.066 4.276 4.340 0.004 0.000 0.219 1062 L C 2.204 179.039 176.870 -0.059 0.000 1.134 1062 L CA 1.402 56.202 54.840 -0.067 0.000 0.807 1062 L CB -0.182 41.836 42.059 -0.069 0.000 0.927 1062 L HN 0.320 nan 8.230 nan 0.000 0.447 1063 T N -6.305 108.205 114.554 -0.074 0.000 3.085 1063 T HA 0.072 4.424 4.350 0.004 0.000 0.264 1063 T C 0.603 175.266 174.700 -0.062 0.000 1.019 1063 T CA -0.322 61.738 62.100 -0.067 0.000 0.910 1063 T CB 0.176 68.991 68.868 -0.088 0.000 1.059 1063 T HN 0.137 nan 8.240 nan 0.000 0.542 1064 D N 1.298 121.661 120.400 -0.062 0.000 2.870 1064 D HA -0.171 4.471 4.640 0.004 0.000 0.228 1064 D C 1.257 177.521 176.300 -0.060 0.000 1.147 1064 D CA 1.545 55.512 54.000 -0.055 0.000 0.757 1064 D CB -1.591 39.183 40.800 -0.045 0.000 1.091 1064 D HN 0.957 nan 8.370 nan 0.000 0.429 1065 G N -0.357 108.399 108.800 -0.073 0.000 2.179 1065 G HA2 -0.420 3.542 3.960 0.004 0.000 0.260 1065 G HA3 -0.420 3.542 3.960 0.004 0.000 0.260 1065 G C 0.950 175.803 174.900 -0.078 0.000 0.977 1065 G CA 0.837 45.892 45.100 -0.076 0.000 0.641 1065 G HN 0.513 nan 8.290 nan 0.000 0.533 1066 Q N -1.305 118.454 119.800 -0.069 0.000 2.224 1066 Q HA 0.233 4.575 4.340 0.004 0.000 0.203 1066 Q C 0.805 176.782 176.000 -0.039 0.000 0.970 1066 Q CA 1.115 56.890 55.803 -0.048 0.000 0.865 1066 Q CB 0.183 28.911 28.738 -0.017 0.000 0.922 1066 Q HN 0.593 nan 8.270 nan 0.000 0.445 1067 L N 0.626 121.782 121.223 -0.112 0.000 2.406 1067 L HA 0.361 4.703 4.340 0.004 0.000 0.272 1067 L C -1.420 175.329 176.870 -0.202 0.000 0.980 1067 L CA -0.217 54.493 54.840 -0.216 0.000 0.831 1067 L CB 1.995 43.828 42.059 -0.377 0.000 1.253 1067 L HN -0.152 nan 8.230 nan 0.000 0.406 1068 E N 3.368 123.463 120.200 -0.175 0.000 2.227 1068 E HA 0.712 5.064 4.350 0.004 0.000 0.268 1068 E C -1.459 175.104 176.600 -0.063 0.000 0.907 1068 E CA -0.997 55.333 56.400 -0.117 0.000 0.786 1068 E CB 2.830 32.485 29.700 -0.075 0.000 1.191 1068 E HN 0.399 nan 8.360 nan 0.000 0.411 1069 V N 2.308 122.205 119.914 -0.028 0.000 2.487 1069 V HA 0.196 4.318 4.120 0.004 0.000 0.298 1069 V C -0.484 175.648 176.094 0.064 0.000 1.028 1069 V CA -0.761 61.599 62.300 0.101 0.000 0.860 1069 V CB 1.616 33.521 31.823 0.137 0.000 0.991 1069 V HN 0.620 nan 8.190 nan 0.000 0.427 1070 Q N 7.364 127.258 119.800 0.156 0.000 2.322 1070 Q HA 0.404 4.746 4.340 0.004 0.000 0.256 1070 Q C -2.489 173.554 176.000 0.071 0.000 0.960 1070 Q CA -1.735 54.104 55.803 0.060 0.000 0.934 1070 Q CB 1.968 30.788 28.738 0.138 0.000 1.200 1070 Q HN 0.490 nan 8.270 nan 0.000 0.435 1071 P HA 0.266 nan 4.420 nan 0.000 0.282 1071 P C -1.272 176.031 177.300 0.004 0.000 1.249 1071 P CA -0.214 63.007 63.100 0.201 0.000 0.806 1071 P CB 0.723 32.455 31.700 0.053 0.000 0.984 1072 F N 2.172 122.494 119.950 0.620 0.000 2.561 1072 F HA 0.397 4.926 4.527 0.004 0.000 0.313 1072 F C -2.012 173.935 175.800 0.246 0.000 1.126 1072 F CA -2.072 56.146 58.000 0.362 0.000 0.918 1072 F CB 2.492 41.622 39.000 0.217 0.000 1.199 1072 F HN 0.176 nan 8.300 nan 0.000 0.444 1073 P HA 0.256 nan 4.420 nan 0.000 0.276 1073 P C -0.797 176.466 177.300 -0.062 0.000 1.261 1073 P CA -0.383 62.505 63.100 -0.353 0.000 0.800 1073 P CB 0.865 32.077 31.700 -0.813 0.000 1.066 1074 A N 0.165 122.949 122.820 -0.059 0.000 2.567 1074 A HA 0.364 4.686 4.320 0.004 0.000 0.240 1074 A C 1.522 179.096 177.584 -0.016 0.000 1.053 1074 A CA 0.976 53.006 52.037 -0.012 0.000 0.755 1074 A CB -1.758 17.252 19.000 0.015 0.000 0.978 1074 A HN 0.894 nan 8.150 nan 0.000 0.507 1075 G N 1.036 109.833 108.800 -0.006 0.000 2.234 1075 G HA2 -0.095 3.867 3.960 0.004 0.000 0.260 1075 G HA3 -0.095 3.867 3.960 0.004 0.000 0.260 1075 G C 1.304 176.208 174.900 0.007 0.000 0.987 1075 G CA 1.249 46.342 45.100 -0.012 0.000 0.625 1075 G HN 1.994 nan 8.290 nan 0.000 0.532 1076 A N -0.510 122.335 122.820 0.041 0.000 1.902 1076 A HA 0.325 4.647 4.320 0.004 0.000 0.217 1076 A C 2.533 180.127 177.584 0.018 0.000 1.181 1076 A CA 2.958 55.049 52.037 0.089 0.000 0.623 1076 A CB -0.316 18.840 19.000 0.260 0.000 0.818 1076 A HN 1.120 nan 8.150 nan 0.000 0.443 1077 V N -2.551 117.324 119.914 -0.065 0.000 2.922 1077 V HA 0.255 4.378 4.120 0.004 0.000 0.242 1077 V C 0.649 176.695 176.094 -0.079 0.000 1.094 1077 V CA 1.169 63.371 62.300 -0.163 0.000 1.106 1077 V CB 0.960 32.575 31.823 -0.347 0.000 0.799 1077 V HN 0.329 nan 8.190 nan 0.000 0.474 1078 V N -1.228 118.663 119.914 -0.040 0.000 3.242 1078 V HA 0.782 4.905 4.120 0.004 0.000 0.298 1078 V C -0.199 175.898 176.094 0.005 0.000 1.352 1078 V CA -0.155 62.139 62.300 -0.010 0.000 1.052 1078 V CB 1.853 33.677 31.823 0.002 0.000 1.101 1078 V HN 0.314 nan 8.190 nan 0.000 0.446 1079 G N 1.601 110.406 108.800 0.007 0.000 2.544 1079 G HA2 0.354 4.316 3.960 0.004 0.000 0.242 1079 G HA3 0.354 4.316 3.960 0.004 0.000 0.242 1079 G C 0.892 175.798 174.900 0.010 0.000 1.247 1079 G CA 0.653 45.740 45.100 -0.021 0.000 0.840 1079 G HN 1.001 nan 8.290 nan 0.000 0.578 1080 T N 1.851 116.365 114.554 -0.066 0.000 2.665 1080 T HA -0.188 4.164 4.350 0.004 0.000 0.268 1080 T C 1.934 176.808 174.700 0.291 0.000 1.035 1080 T CA 1.589 63.712 62.100 0.039 0.000 1.151 1080 T CB -0.276 68.549 68.868 -0.071 0.000 0.862 1080 T HN 0.396 nan 8.240 nan 0.000 0.438 1081 F N 1.628 121.688 119.950 0.183 0.000 2.451 1081 F HA 0.049 4.578 4.527 0.003 0.000 0.299 1081 F C 1.950 177.946 175.800 0.327 0.000 1.101 1081 F CA -0.095 58.068 58.000 0.273 0.000 1.436 1081 F CB -0.600 38.452 39.000 0.086 0.000 1.074 1081 F HN 0.173 nan 8.300 nan 0.000 0.553 1082 D N -0.807 119.805 120.400 0.353 0.000 2.339 1082 D HA 0.002 4.644 4.640 0.004 0.000 0.217 1082 D C 2.216 178.625 176.300 0.182 0.000 1.050 1082 D CA 0.168 54.301 54.000 0.222 0.000 0.856 1082 D CB -0.119 40.760 40.800 0.131 0.000 0.922 1082 D HN 0.257 nan 8.370 nan 0.000 0.518 1083 M N -0.294 119.466 119.600 0.267 0.000 2.108 1083 M HA -0.181 4.301 4.480 0.004 0.000 0.261 1083 M C 1.877 178.210 176.300 0.055 0.000 1.066 1083 M CA 1.248 56.664 55.300 0.193 0.000 1.107 1083 M CB -0.097 32.699 32.600 0.327 0.000 1.356 1083 M HN -0.023 nan 8.290 nan 0.000 0.406 1084 F N 1.155 120.919 119.950 -0.309 0.000 2.091 1084 F HA -0.332 4.197 4.527 0.004 0.000 0.299 1084 F C 1.910 177.526 175.800 -0.306 0.000 1.103 1084 F CA 2.249 59.857 58.000 -0.653 0.000 1.228 1084 F CB -0.341 37.885 39.000 -1.290 0.000 0.984 1084 F HN 0.250 nan 8.300 nan 0.000 0.477 1085 D N 0.140 120.567 120.400 0.045 0.000 2.183 1085 D HA -0.106 4.536 4.640 0.004 0.000 0.203 1085 D C 2.334 178.599 176.300 -0.058 0.000 0.969 1085 D CA 1.228 55.234 54.000 0.010 0.000 0.842 1085 D CB -0.384 40.459 40.800 0.071 0.000 0.957 1085 D HN 0.419 nan 8.370 nan 0.000 0.484 1086 A N 0.886 123.680 122.820 -0.043 0.000 1.930 1086 A HA -0.101 4.221 4.320 0.004 0.000 0.217 1086 A C 2.506 180.035 177.584 -0.093 0.000 1.175 1086 A CA 0.971 52.977 52.037 -0.052 0.000 0.627 1086 A CB -0.492 18.489 19.000 -0.031 0.000 0.815 1086 A HN 0.121 nan 8.150 nan 0.000 0.443 1087 V N -0.070 119.760 119.914 -0.140 0.000 2.407 1087 V HA -0.173 3.949 4.120 0.004 0.000 0.245 1087 V C 2.437 178.405 176.094 -0.210 0.000 1.041 1087 V CA 2.040 64.234 62.300 -0.176 0.000 1.040 1087 V CB -0.609 31.092 31.823 -0.203 0.000 0.671 1087 V HN 0.642 nan 8.190 nan 0.000 0.455 1088 K N 0.733 120.957 120.400 -0.293 0.000 2.103 1088 K HA -0.216 4.107 4.320 0.004 0.000 0.207 1088 K C 2.017 178.534 176.600 -0.138 0.000 1.048 1088 K CA 2.033 58.162 56.287 -0.264 0.000 0.930 1088 K CB -0.205 32.098 32.500 -0.328 0.000 0.716 1088 K HN 0.673 nan 8.250 nan 0.000 0.444 1089 T N -3.759 110.731 114.554 -0.106 0.000 3.129 1089 T HA 0.191 4.543 4.350 0.004 0.000 0.251 1089 T C 1.181 175.847 174.700 -0.057 0.000 1.117 1089 T CA 0.506 62.569 62.100 -0.063 0.000 1.034 1089 T CB 0.418 69.261 68.868 -0.042 0.000 0.968 1089 T HN 0.380 nan 8.240 nan 0.000 0.526 1090 G N 0.430 109.185 108.800 -0.076 0.000 2.157 1090 G HA2 -0.290 3.672 3.960 0.004 0.000 0.248 1090 G HA3 -0.290 3.672 3.960 0.004 0.000 0.248 1090 G C 0.802 175.670 174.900 -0.053 0.000 0.979 1090 G CA 0.190 45.250 45.100 -0.067 0.000 0.650 1090 G HN 0.517 nan 8.290 nan 0.000 0.529 1091 V N -0.066 119.816 119.914 -0.055 0.000 2.453 1091 V HA 0.208 4.330 4.120 0.004 0.000 0.247 1091 V C 1.651 177.709 176.094 -0.059 0.000 1.048 1091 V CA 1.709 63.980 62.300 -0.049 0.000 1.049 1091 V CB -0.127 31.665 31.823 -0.051 0.000 0.672 1091 V HN 0.411 nan 8.190 nan 0.000 0.457 1092 L N 0.068 121.249 121.223 -0.069 0.000 2.325 1092 L HA 0.367 4.709 4.340 0.004 0.000 0.278 1092 L C 0.905 177.723 176.870 -0.087 0.000 1.023 1092 L CA -0.390 54.414 54.840 -0.059 0.000 0.811 1092 L CB 1.721 43.752 42.059 -0.047 0.000 1.249 1092 L HN 0.110 nan 8.230 nan 0.000 0.431 1093 D N 1.716 122.057 120.400 -0.097 0.000 2.234 1093 D HA 0.067 4.709 4.640 0.004 0.000 0.205 1093 D C 0.624 176.716 176.300 -0.346 0.000 0.962 1093 D CA 0.708 54.528 54.000 -0.301 0.000 0.855 1093 D CB 0.865 41.372 40.800 -0.489 0.000 0.951 1093 D HN 0.702 nan 8.370 nan 0.000 0.500 1094 G N 0.086 108.803 108.800 -0.138 0.000 2.600 1094 G HA2 0.584 4.546 3.960 0.004 0.000 0.293 1094 G HA3 0.584 4.546 3.960 0.004 0.000 0.293 1094 G C -1.349 173.584 174.900 0.055 0.000 1.408 1094 G CA -0.654 44.408 45.100 -0.063 0.000 0.782 1094 G HN 0.051 nan 8.290 nan 0.000 0.482 1095 M N -0.732 118.893 119.600 0.041 0.000 2.569 1095 M HA 0.593 5.076 4.480 0.004 0.000 0.279 1095 M C -1.818 174.341 176.300 -0.234 0.000 1.253 1095 M CA -0.978 54.315 55.300 -0.013 0.000 0.867 1095 M CB 2.663 35.283 32.600 0.033 0.000 1.727 1095 M HN 0.483 nan 8.290 nan 0.000 0.467 1096 N N 2.575 121.013 118.700 -0.438 0.000 2.790 1096 N HA 0.458 5.200 4.740 0.004 0.000 0.256 1096 N C -3.161 171.914 175.510 -0.724 0.000 1.409 1096 N CA -1.142 51.394 53.050 -0.856 0.000 0.799 1096 N CB 1.896 39.708 38.487 -1.125 0.000 1.170 1096 N HN 0.520 nan 8.380 nan 0.000 0.507 1097 P HA 0.412 nan 4.420 nan 0.000 0.304 1097 P C -1.013 175.777 177.300 -0.851 0.000 1.310 1097 P CA -0.550 62.206 63.100 -0.574 0.000 0.796 1097 P CB 1.216 32.868 31.700 -0.080 0.000 1.297 1098 F N -0.278 119.164 119.950 -0.846 0.000 2.404 1098 F HA 0.197 4.726 4.527 0.004 0.000 0.358 1098 F C 1.994 177.321 175.800 -0.787 0.000 1.120 1098 F CA 0.333 57.792 58.000 -0.900 0.000 1.144 1098 F CB 0.039 38.280 39.000 -1.266 0.000 1.133 1098 F HN 0.177 nan 8.300 nan 0.000 0.495 1099 T N 2.945 117.321 114.554 -0.296 0.000 2.699 1099 T HA -0.219 4.133 4.350 0.004 0.000 0.268 1099 T C 1.856 176.442 174.700 -0.189 0.000 1.036 1099 T CA 1.677 63.697 62.100 -0.133 0.000 1.147 1099 T CB -0.299 68.638 68.868 0.115 0.000 0.862 1099 T HN 0.505 nan 8.240 nan 0.000 0.446 1100 L N -1.314 119.793 121.223 -0.193 0.000 2.622 1100 L HA 0.217 4.559 4.340 0.004 0.000 0.233 1100 L C 1.603 178.405 176.870 -0.114 0.000 1.156 1100 L CA 0.754 55.513 54.840 -0.135 0.000 0.866 1100 L CB -1.571 40.398 42.059 -0.150 0.000 0.980 1100 L HN 0.035 nan 8.230 nan 0.000 0.448 1101 Y N -0.451 119.542 120.300 -0.513 0.000 2.497 1101 Y HA -0.064 4.489 4.550 0.004 0.000 0.292 1101 Y C 1.294 176.930 175.900 -0.441 0.000 1.137 1101 Y CA 0.112 57.840 58.100 -0.621 0.000 1.285 1101 Y CB -0.728 37.147 38.460 -0.976 0.000 0.991 1101 Y HN 0.383 nan 8.280 nan 0.000 0.556 1102 W N -1.529 119.850 121.300 0.132 0.000 3.330 1102 W HA 0.395 5.058 4.660 0.004 0.000 0.348 1102 W C 2.028 178.508 176.519 -0.065 0.000 1.205 1102 W CA 0.168 57.483 57.345 -0.050 0.000 1.841 1102 W CB -0.225 29.213 29.460 -0.037 0.000 1.084 1102 W HN -0.128 nan 8.180 nan 0.000 0.665 1103 A N 1.114 124.008 122.820 0.123 0.000 1.948 1103 A HA -0.171 4.152 4.320 0.004 0.000 0.220 1103 A C 2.259 179.970 177.584 0.212 0.000 1.177 1103 A CA 2.170 54.287 52.037 0.134 0.000 0.636 1103 A CB -1.212 17.784 19.000 -0.007 0.000 0.815 1103 A HN 0.384 nan 8.150 nan 0.000 0.449 1104 G N -1.453 107.418 108.800 0.119 0.000 2.448 1104 G HA2 -0.125 3.838 3.960 0.004 0.000 0.218 1104 G HA3 -0.125 3.838 3.960 0.004 0.000 0.218 1104 G C 1.775 176.679 174.900 0.007 0.000 1.135 1104 G CA 0.684 45.827 45.100 0.071 0.000 0.784 1104 G HN 0.523 nan 8.290 nan 0.000 0.543 1105 R N -0.884 119.591 120.500 -0.041 0.000 2.090 1105 R HA 0.283 4.625 4.340 0.004 0.000 0.219 1105 R C 0.377 176.621 176.300 -0.093 0.000 1.100 1105 R CA 0.555 56.565 56.100 -0.150 0.000 0.991 1105 R CB 0.088 30.115 30.300 -0.454 0.000 0.893 1105 R HN 0.313 nan 8.270 nan 0.000 0.443 1106 M N 0.663 120.241 119.600 -0.037 0.000 2.035 1106 M HA 0.259 4.741 4.480 0.004 0.000 0.286 1106 M C -2.199 174.167 176.300 0.110 0.000 0.907 1106 M CA -1.899 53.398 55.300 -0.005 0.000 0.935 1106 M CB 2.579 35.110 32.600 -0.114 0.000 1.557 1106 M HN -0.236 nan 8.290 nan 0.000 0.426 1107 P HA -0.186 nan 4.420 nan 0.000 0.216 1107 P C 1.586 179.097 177.300 0.351 0.000 1.150 1107 P CA 0.993 64.291 63.100 0.331 0.000 0.843 1107 P CB 0.301 32.147 31.700 0.243 0.000 0.787 1108 V N 0.131 120.212 119.914 0.279 0.000 2.568 1108 V HA -0.251 3.872 4.120 0.004 0.000 0.253 1108 V C 2.106 178.368 176.094 0.280 0.000 1.072 1108 V CA 2.816 65.309 62.300 0.323 0.000 1.084 1108 V CB -1.645 30.311 31.823 0.221 0.000 0.676 1108 V HN 0.312 nan 8.190 nan 0.000 0.469 1109 T N -2.074 112.594 114.554 0.190 0.000 3.007 1109 T HA -0.032 4.320 4.350 0.004 0.000 0.270 1109 T C 1.785 176.528 174.700 0.072 0.000 1.107 1109 T CA 1.156 63.373 62.100 0.196 0.000 1.118 1109 T CB -0.498 68.519 68.868 0.249 0.000 0.889 1109 T HN 0.594 nan 8.240 nan 0.000 0.506 1110 A N 0.376 123.165 122.820 -0.053 0.000 2.121 1110 A HA 0.289 4.612 4.320 0.004 0.000 0.218 1110 A C 1.400 178.678 177.584 -0.510 0.000 1.154 1110 A CA 0.465 52.252 52.037 -0.415 0.000 0.679 1110 A CB -0.758 17.754 19.000 -0.813 0.000 0.795 1110 A HN 0.572 nan 8.150 nan 0.000 0.458 1111 F N -1.264 118.694 119.950 0.014 0.000 2.639 1111 F HA 0.352 4.881 4.527 0.003 0.000 0.302 1111 F C 0.931 176.884 175.800 0.255 0.000 1.097 1111 F CA 0.027 58.089 58.000 0.102 0.000 1.294 1111 F CB 0.442 39.439 39.000 -0.006 0.000 1.027 1111 F HN 0.024 nan 8.300 nan 0.000 0.550 1112 L N -1.023 120.411 121.223 0.352 0.000 2.818 1112 L HA 0.306 4.649 4.340 0.004 0.000 0.243 1112 L C 0.380 177.395 176.870 0.240 0.000 1.185 1112 L CA 0.134 55.261 54.840 0.479 0.000 0.988 1112 L CB 0.175 42.518 42.059 0.473 0.000 1.292 1112 L HN 0.013 nan 8.230 nan 0.000 0.519 1113 S N -0.758 114.851 115.700 -0.152 0.000 2.565 1113 S HA 0.380 4.852 4.470 0.004 0.000 0.269 1113 S C -0.307 173.863 174.600 -0.717 0.000 1.153 1113 S CA -0.555 57.328 58.200 -0.528 0.000 0.835 1113 S CB 1.589 64.638 63.200 -0.251 0.000 1.122 1113 S HN 0.212 nan 8.310 nan 0.000 0.462 1114 S N 2.171 117.326 115.700 -0.909 0.000 2.566 1114 S HA 0.435 4.907 4.470 0.004 0.000 0.280 1114 S C -0.485 173.981 174.600 -0.223 0.000 1.343 1114 S CA 0.096 57.975 58.200 -0.535 0.000 1.036 1114 S CB -0.311 62.656 63.200 -0.388 0.000 0.866 1114 S HN 0.911 nan 8.310 nan 0.000 0.526 1115 Y N -1.442 118.785 120.300 -0.122 0.000 2.576 1115 Y HA 0.777 5.330 4.550 0.004 0.000 0.346 1115 Y C 0.017 175.880 175.900 -0.061 0.000 1.018 1115 Y CA -1.563 56.431 58.100 -0.176 0.000 1.050 1115 Y CB 0.572 38.839 38.460 -0.323 0.000 1.280 1115 Y HN 0.891 nan 8.280 nan 0.000 0.474 1116 A N 2.946 125.828 122.820 0.104 0.000 2.583 1116 A HA 0.167 4.489 4.320 0.004 0.000 0.249 1116 A C 0.755 178.495 177.584 0.260 0.000 1.035 1116 A CA 0.646 52.699 52.037 0.026 0.000 0.777 1116 A CB -1.156 17.777 19.000 -0.111 0.000 0.942 1116 A HN 1.181 nan 8.150 nan 0.000 0.516 1117 L N 0.468 121.745 121.223 0.089 0.000 4.179 1117 L HA -0.298 4.044 4.340 0.004 0.000 0.418 1117 L C 1.161 178.225 176.870 0.323 0.000 1.168 1117 L CA 0.502 55.457 54.840 0.192 0.000 0.972 1117 L CB -2.118 40.061 42.059 0.199 0.000 2.005 1117 L HN 0.995 nan 8.230 nan 0.000 0.935 1118 G N -0.284 108.543 108.800 0.044 0.000 2.782 1118 G HA2 0.637 4.599 3.960 0.004 0.000 0.201 1118 G HA3 0.637 4.599 3.960 0.004 0.000 0.201 1118 G C 0.016 174.892 174.900 -0.041 0.000 1.374 1118 G CA -0.921 44.057 45.100 -0.203 0.000 1.039 1118 G HN 0.066 nan 8.290 nan 0.000 0.576 1119 L N 1.174 122.248 121.223 -0.247 0.000 2.640 1119 L HA 0.057 4.399 4.340 0.004 0.000 0.280 1119 L C 0.309 177.270 176.870 0.152 0.000 1.229 1119 L CA 0.294 54.989 54.840 -0.241 0.000 0.919 1119 L CB 0.398 42.030 42.059 -0.712 0.000 1.168 1119 L HN 0.755 nan 8.230 nan 0.000 0.496 1120 D N 1.189 121.724 120.400 0.226 0.000 2.540 1120 D HA 0.126 4.768 4.640 0.004 0.000 0.229 1120 D C 0.235 176.677 176.300 0.236 0.000 1.250 1120 D CA -0.328 53.818 54.000 0.244 0.000 0.817 1120 D CB 0.423 41.342 40.800 0.198 0.000 1.060 1120 D HN 0.302 nan 8.370 nan 0.000 0.508 1121 R N 0.492 121.140 120.500 0.246 0.000 2.670 1121 R HA 0.394 4.737 4.340 0.004 0.000 0.289 1121 R C -2.062 174.420 176.300 0.304 0.000 0.965 1121 R CA -1.871 54.366 56.100 0.229 0.000 0.899 1121 R CB 1.950 32.352 30.300 0.170 0.000 1.173 1121 R HN -0.232 nan 8.270 nan 0.000 0.456 1122 P HA -0.236 nan 4.420 nan 0.000 0.216 1122 P C 0.428 177.969 177.300 0.403 0.000 1.153 1122 P CA 1.636 64.899 63.100 0.271 0.000 0.858 1122 P CB 0.160 31.908 31.700 0.081 0.000 0.789 1123 D N -1.144 119.451 120.400 0.326 0.000 2.219 1123 D HA -0.197 4.445 4.640 0.004 0.000 0.205 1123 D C 1.752 178.230 176.300 0.297 0.000 0.970 1123 D CA 0.995 55.172 54.000 0.296 0.000 0.851 1123 D CB -0.842 40.057 40.800 0.165 0.000 0.943 1123 D HN 0.241 nan 8.370 nan 0.000 0.488 1124 Q N -0.768 119.185 119.800 0.255 0.000 2.083 1124 Q HA -0.045 4.297 4.340 0.004 0.000 0.198 1124 Q C 1.552 177.697 176.000 0.242 0.000 0.969 1124 Q CA 1.036 56.963 55.803 0.207 0.000 0.838 1124 Q CB -0.226 28.458 28.738 -0.091 0.000 0.900 1124 Q HN 0.444 nan 8.270 nan 0.000 0.436 1125 W N 1.146 122.636 121.300 0.316 0.000 2.388 1125 W HA -0.121 4.541 4.660 0.003 0.000 0.294 1125 W C 2.216 179.087 176.519 0.585 0.000 1.212 1125 W CA 1.037 58.647 57.345 0.441 0.000 1.271 1125 W CB 0.017 29.690 29.460 0.355 0.000 1.126 1125 W HN 0.190 nan 8.180 nan 0.000 0.535 1126 E N -0.292 120.309 120.200 0.668 0.000 2.077 1126 E HA -0.174 4.178 4.350 0.004 0.000 0.193 1126 E C 2.042 178.979 176.600 0.562 0.000 0.989 1126 E CA 2.252 59.059 56.400 0.679 0.000 0.800 1126 E CB -0.472 29.625 29.700 0.662 0.000 0.746 1126 E HN -0.003 nan 8.360 nan 0.000 0.452 1127 T N -0.408 114.374 114.554 0.381 0.000 2.708 1127 T HA -0.166 4.186 4.350 0.004 0.000 0.266 1127 T C 1.180 175.929 174.700 0.081 0.000 1.037 1127 T CA 1.354 63.569 62.100 0.192 0.000 1.146 1127 T CB -0.596 68.323 68.868 0.085 0.000 0.865 1127 T HN 0.440 nan 8.240 nan 0.000 0.435 1128 W N 0.940 122.203 121.300 -0.061 0.000 2.358 1128 W HA -0.068 4.594 4.660 0.003 0.000 0.303 1128 W C 1.618 178.045 176.519 -0.154 0.000 1.208 1128 W CA 0.759 57.973 57.345 -0.219 0.000 1.274 1128 W CB -0.673 28.600 29.460 -0.312 0.000 1.138 1128 W HN 0.172 nan 8.180 nan 0.000 0.515 1129 F N -1.212 118.642 119.950 -0.159 0.000 2.113 1129 F HA -0.159 4.370 4.527 0.003 0.000 0.297 1129 F C 1.955 177.381 175.800 -0.623 0.000 1.103 1129 F CA 1.985 59.681 58.000 -0.506 0.000 1.248 1129 F CB -1.098 37.717 39.000 -0.308 0.000 0.999 1129 F HN -0.178 nan 8.300 nan 0.000 0.475 1130 Y N -1.533 118.847 120.300 0.133 0.000 2.500 1130 Y HA 0.017 4.569 4.550 0.003 0.000 0.270 1130 Y C 2.075 177.975 175.900 -0.000 0.000 1.134 1130 Y CA 0.645 58.794 58.100 0.082 0.000 1.293 1130 Y CB 0.034 38.600 38.460 0.178 0.000 1.063 1130 Y HN 0.067 nan 8.280 nan 0.000 0.534 1131 S N -2.200 113.507 115.700 0.011 0.000 2.653 1131 S HA 0.160 4.632 4.470 0.004 0.000 0.259 1131 S C 0.782 175.285 174.600 -0.162 0.000 1.076 1131 S CA -0.264 57.908 58.200 -0.046 0.000 1.051 1131 S CB -0.428 62.758 63.200 -0.023 0.000 0.994 1131 S HN 0.272 nan 8.310 nan 0.000 0.552 1132 L N 1.672 122.719 121.223 -0.294 0.000 2.653 1132 L HA 0.497 4.839 4.340 0.004 0.000 0.231 1132 L C 1.625 178.229 176.870 -0.444 0.000 1.153 1132 L CA 0.383 55.014 54.840 -0.349 0.000 0.933 1132 L CB -0.072 41.773 42.059 -0.357 0.000 1.175 1132 L HN 0.617 nan 8.230 nan 0.000 0.473 1133 G N -0.087 108.439 108.800 -0.456 0.000 2.175 1133 G HA2 -0.277 3.686 3.960 0.004 0.000 0.244 1133 G HA3 -0.277 3.686 3.960 0.004 0.000 0.244 1133 G C 0.981 175.487 174.900 -0.656 0.000 0.982 1133 G CA 0.164 45.011 45.100 -0.422 0.000 0.641 1133 G HN 0.430 nan 8.290 nan 0.000 0.527 1134 G N 0.556 108.568 108.800 -1.314 0.000 2.440 1134 G HA2 0.020 3.982 3.960 0.004 0.000 0.218 1134 G HA3 0.020 3.982 3.960 0.004 0.000 0.218 1134 G C 1.756 176.150 174.900 -0.842 0.000 1.154 1134 G CA 1.692 45.642 45.100 -1.917 0.000 0.767 1134 G HN 1.048 nan 8.290 nan 0.000 0.552 1135 L N 0.936 121.894 121.223 -0.442 0.000 2.042 1135 L HA -0.046 4.296 4.340 0.004 0.000 0.210 1135 L C 2.200 179.011 176.870 -0.098 0.000 1.076 1135 L CA 2.609 57.397 54.840 -0.087 0.000 0.749 1135 L CB -0.627 41.342 42.059 -0.151 0.000 0.893 1135 L HN 0.263 nan 8.230 nan 0.000 0.432 1136 D N -0.994 119.327 120.400 -0.131 0.000 2.178 1136 D HA -0.170 4.472 4.640 0.004 0.000 0.202 1136 D C 2.175 178.454 176.300 -0.036 0.000 0.974 1136 D CA 1.291 55.259 54.000 -0.053 0.000 0.841 1136 D CB -0.048 40.730 40.800 -0.037 0.000 0.953 1136 D HN 0.483 nan 8.370 nan 0.000 0.478 1137 I N 0.305 120.832 120.570 -0.071 0.000 2.202 1137 I HA -0.224 3.948 4.170 0.004 0.000 0.242 1137 I C 2.457 178.558 176.117 -0.027 0.000 1.091 1137 I CA 1.032 62.348 61.300 0.027 0.000 1.368 1137 I CB -0.359 37.676 38.000 0.058 0.000 1.058 1137 I HN 0.028 nan 8.210 nan 0.000 0.410 1138 A N 0.836 123.600 122.820 -0.094 0.000 1.902 1138 A HA -0.203 4.119 4.320 0.004 0.000 0.217 1138 A C 2.409 179.937 177.584 -0.093 0.000 1.181 1138 A CA 1.482 53.417 52.037 -0.170 0.000 0.623 1138 A CB -0.570 18.079 19.000 -0.585 0.000 0.818 1138 A HN 0.309 nan 8.150 nan 0.000 0.443 1139 R N -0.884 119.561 120.500 -0.092 0.000 2.081 1139 R HA -0.064 4.278 4.340 0.004 0.000 0.235 1139 R C 2.479 178.771 176.300 -0.014 0.000 1.131 1139 R CA 1.472 57.532 56.100 -0.067 0.000 0.960 1139 R CB -0.251 30.000 30.300 -0.082 0.000 0.856 1139 R HN 0.489 nan 8.270 nan 0.000 0.436 1140 R N 0.001 120.485 120.500 -0.027 0.000 2.075 1140 R HA -0.037 4.305 4.340 0.004 0.000 0.232 1140 R C 2.304 178.432 176.300 -0.286 0.000 1.126 1140 R CA 1.257 57.344 56.100 -0.021 0.000 0.963 1140 R CB -0.252 30.137 30.300 0.148 0.000 0.858 1140 R HN 0.185 nan 8.270 nan 0.000 0.435 1141 A N 0.534 122.958 122.820 -0.659 0.000 1.873 1141 A HA -0.138 4.184 4.320 0.004 0.000 0.215 1141 A C 1.876 179.196 177.584 -0.440 0.000 1.186 1141 A CA 1.154 52.586 52.037 -1.008 0.000 0.616 1141 A CB -0.583 17.843 19.000 -0.958 0.000 0.823 1141 A HN 0.209 nan 8.150 nan 0.000 0.442 1142 F N 0.144 119.960 119.950 -0.224 0.000 2.234 1142 F HA -0.032 4.497 4.527 0.003 0.000 0.299 1142 F C 2.715 178.476 175.800 -0.066 0.000 1.087 1142 F CA 0.869 58.815 58.000 -0.091 0.000 1.340 1142 F CB -0.237 38.734 39.000 -0.049 0.000 1.031 1142 F HN 0.262 nan 8.300 nan 0.000 0.500 1143 A N 0.012 122.891 122.820 0.098 0.000 1.933 1143 A HA -0.204 4.118 4.320 0.004 0.000 0.218 1143 A C 2.020 179.643 177.584 0.065 0.000 1.175 1143 A CA 1.683 53.782 52.037 0.103 0.000 0.628 1143 A CB -0.698 18.375 19.000 0.120 0.000 0.814 1143 A HN 0.442 nan 8.150 nan 0.000 0.444 1144 E N -0.431 119.783 120.200 0.024 0.000 2.409 1144 E HA -0.136 4.216 4.350 0.004 0.000 0.198 1144 E C 1.193 177.810 176.600 0.028 0.000 1.024 1144 E CA 0.683 57.105 56.400 0.037 0.000 0.861 1144 E CB -0.002 29.727 29.700 0.048 0.000 0.788 1144 E HN 0.549 nan 8.360 nan 0.000 0.521 1145 Q N -0.690 119.118 119.800 0.013 0.000 2.319 1145 Q HA 0.101 4.444 4.340 0.004 0.000 0.202 1145 Q C 0.973 176.960 176.000 -0.022 0.000 0.896 1145 Q CA 0.526 56.338 55.803 0.014 0.000 0.942 1145 Q CB 1.320 30.077 28.738 0.032 0.000 1.083 1145 Q HN 0.370 nan 8.270 nan 0.000 0.510 1146 G N 1.112 109.919 108.800 0.011 0.000 2.160 1146 G HA2 -0.247 3.715 3.960 0.004 0.000 0.244 1146 G HA3 -0.247 3.715 3.960 0.004 0.000 0.244 1146 G C -0.192 174.702 174.900 -0.009 0.000 1.022 1146 G CA 0.170 45.272 45.100 0.004 0.000 0.741 1146 G HN 0.258 nan 8.290 nan 0.000 0.508 1147 L N -1.242 120.003 121.223 0.037 0.000 2.388 1147 L HA 0.778 5.120 4.340 0.004 0.000 0.264 1147 L C -0.514 176.420 176.870 0.106 0.000 0.998 1147 L CA -1.352 53.511 54.840 0.038 0.000 0.817 1147 L CB 2.001 44.084 42.059 0.041 0.000 1.338 1147 L HN 0.061 nan 8.230 nan 0.000 0.414 1148 F N 1.947 121.813 119.950 -0.140 0.000 2.388 1148 F HA 0.344 4.874 4.527 0.004 0.000 0.358 1148 F C -0.593 175.004 175.800 -0.338 0.000 1.122 1148 F CA -0.695 57.140 58.000 -0.276 0.000 1.056 1148 F CB 0.809 39.416 39.000 -0.654 0.000 1.155 1148 F HN 0.300 nan 8.300 nan 0.000 0.461 1149 Y N 6.860 126.534 120.300 -1.043 0.000 2.539 1149 Y HA 0.328 4.880 4.550 0.003 0.000 0.352 1149 Y C 0.370 175.685 175.900 -0.974 0.000 1.004 1149 Y CA -0.170 57.372 58.100 -0.931 0.000 1.278 1149 Y CB 0.767 38.741 38.460 -0.810 0.000 1.136 1149 Y HN 0.526 nan 8.280 nan 0.000 0.528 1150 V N 5.288 124.706 119.914 -0.827 0.000 2.283 1150 V HA 0.142 4.265 4.120 0.004 0.000 0.243 1150 V C 1.215 177.059 176.094 -0.417 0.000 1.039 1150 V CA 1.520 63.562 62.300 -0.430 0.000 1.016 1150 V CB -0.975 30.830 31.823 -0.030 0.000 0.650 1150 V HN 1.002 nan 8.190 nan 0.000 0.449 1151 G N -0.742 107.618 108.800 -0.733 0.000 2.338 1151 G HA2 0.383 4.345 3.960 0.004 0.000 0.295 1151 G HA3 0.383 4.345 3.960 0.004 0.000 0.295 1151 G C -3.419 171.100 174.900 -0.634 0.000 1.461 1151 G CA -0.619 44.150 45.100 -0.551 0.000 0.817 1151 G HN 0.010 nan 8.290 nan 0.000 0.556 1152 P HA 0.476 nan 4.420 nan 0.000 0.278 1152 P C -0.591 176.529 177.300 -0.300 0.000 1.238 1152 P CA -0.305 62.528 63.100 -0.446 0.000 0.794 1152 P CB 2.005 33.234 31.700 -0.784 0.000 0.955 1153 V N 3.976 123.730 119.914 -0.267 0.000 2.350 1153 V HA 0.136 4.258 4.120 0.004 0.000 0.285 1153 V C 0.646 176.607 176.094 -0.222 0.000 1.014 1153 V CA -0.592 61.554 62.300 -0.258 0.000 0.831 1153 V CB 1.150 32.807 31.823 -0.277 0.000 1.000 1153 V HN 0.516 nan 8.190 nan 0.000 0.433 1154 Q N 3.652 123.263 119.800 -0.314 0.000 2.432 1154 Q HA 0.180 4.522 4.340 0.004 0.000 0.264 1154 Q C 0.290 176.420 176.000 0.216 0.000 1.035 1154 Q CA 0.356 56.013 55.803 -0.244 0.000 0.908 1154 Q CB 1.420 29.620 28.738 -0.897 0.000 1.280 1154 Q HN 0.950 nan 8.270 nan 0.000 0.455 1155 H N -0.394 118.813 119.070 0.229 0.000 3.170 1155 H HA 0.133 4.692 4.556 0.004 0.000 0.130 1155 H C -0.650 174.797 175.328 0.199 0.000 1.146 1155 H CA 0.074 56.297 56.048 0.291 0.000 1.068 1155 H CB 1.571 31.502 29.762 0.282 0.000 0.980 1155 H HN 0.637 nan 8.280 nan 0.000 0.259 1156 D N -0.079 120.135 120.400 -0.310 0.000 2.804 1156 D HA 0.198 4.840 4.640 0.004 0.000 0.309 1156 D C -1.377 174.794 176.300 -0.214 0.000 1.311 1156 D CA -0.128 53.653 54.000 -0.365 0.000 0.765 1156 D CB 0.989 41.331 40.800 -0.762 0.000 1.293 1156 D HN 0.296 nan 8.370 nan 0.000 0.434 1157 L N -0.056 121.110 121.223 -0.095 0.000 2.387 1157 L HA 0.676 5.019 4.340 0.004 0.000 0.266 1157 L C 0.052 176.898 176.870 -0.040 0.000 1.059 1157 L CA -0.371 54.453 54.840 -0.028 0.000 0.801 1157 L CB 0.437 42.526 42.059 0.049 0.000 1.223 1157 L HN 0.287 nan 8.230 nan 0.000 0.456 1158 N N 0.498 119.200 118.700 0.003 0.000 2.430 1158 N HA 0.765 5.507 4.740 0.004 0.000 0.298 1158 N C -0.863 174.709 175.510 0.104 0.000 1.130 1158 N CA -0.848 52.223 53.050 0.035 0.000 0.894 1158 N CB 2.215 40.715 38.487 0.022 0.000 1.209 1158 N HN 0.774 nan 8.380 nan 0.000 0.503 1159 I N -1.948 118.704 120.570 0.137 0.000 3.067 1159 I HA 0.617 4.789 4.170 0.004 0.000 0.312 1159 I C -1.064 175.151 176.117 0.162 0.000 1.073 1159 I CA -1.038 60.347 61.300 0.143 0.000 1.016 1159 I CB 1.761 39.830 38.000 0.115 0.000 1.227 1159 I HN 0.335 nan 8.210 nan 0.000 0.456 1160 I N 2.273 122.908 120.570 0.107 0.000 2.441 1160 I HA 0.403 4.575 4.170 0.004 0.000 0.295 1160 I C -0.563 175.560 176.117 0.009 0.000 0.994 1160 I CA -0.510 60.858 61.300 0.112 0.000 1.144 1160 I CB 1.397 39.462 38.000 0.109 0.000 1.314 1160 I HN 0.510 nan 8.210 nan 0.000 0.445 1161 H N 3.719 122.847 119.070 0.098 0.000 2.459 1161 H HA 0.479 5.037 4.556 0.004 0.000 0.332 1161 H C -0.778 174.568 175.328 0.031 0.000 1.094 1161 H CA -0.343 55.763 56.048 0.097 0.000 1.224 1161 H CB 2.320 32.172 29.762 0.149 0.000 1.449 1161 H HN 0.476 nan 8.280 nan 0.000 0.484 1162 S N 1.406 117.199 115.700 0.156 0.000 2.569 1162 S HA 0.228 4.700 4.470 0.004 0.000 0.280 1162 S C 0.546 175.257 174.600 0.184 0.000 1.111 1162 S CA -0.840 57.414 58.200 0.090 0.000 0.887 1162 S CB 1.531 64.727 63.200 -0.006 0.000 1.095 1162 S HN 0.686 nan 8.310 nan 0.000 0.476 1163 K N 1.249 121.708 120.400 0.099 0.000 2.314 1163 K HA 0.101 4.424 4.320 0.004 0.000 0.198 1163 K C 0.287 177.010 176.600 0.205 0.000 1.045 1163 K CA 0.486 56.858 56.287 0.142 0.000 0.988 1163 K CB 0.043 32.559 32.500 0.027 0.000 0.783 1163 K HN 0.594 nan 8.250 nan 0.000 0.484 1164 K N 1.725 122.133 120.400 0.014 0.000 2.208 1164 K HA 0.356 4.679 4.320 0.004 0.000 0.247 1164 K C -2.883 173.359 176.600 -0.597 0.000 0.953 1164 K CA -2.270 53.901 56.287 -0.194 0.000 0.837 1164 K CB 1.474 33.875 32.500 -0.165 0.000 1.131 1164 K HN -0.284 nan 8.250 nan 0.000 0.431 1165 P HA 0.205 nan 4.420 nan 0.000 0.282 1165 P C -0.750 176.257 177.300 -0.488 0.000 1.274 1165 P CA -0.138 62.381 63.100 -0.968 0.000 0.770 1165 P CB 0.462 31.681 31.700 -0.801 0.000 0.867 1166 I N 5.174 125.494 120.570 -0.418 0.000 2.388 1166 I HA 0.303 4.475 4.170 0.004 0.000 0.281 1166 I C 1.424 177.392 176.117 -0.249 0.000 1.046 1166 I CA -0.448 60.615 61.300 -0.396 0.000 1.187 1166 I CB 1.066 38.701 38.000 -0.608 0.000 1.351 1166 I HN 0.181 nan 8.210 nan 0.000 0.472 1167 R N 3.638 124.038 120.500 -0.167 0.000 2.362 1167 R HA 0.346 4.688 4.340 0.004 0.000 0.227 1167 R C 0.662 176.968 176.300 0.010 0.000 0.905 1167 R CA -0.044 56.019 56.100 -0.061 0.000 1.067 1167 R CB 0.388 30.656 30.300 -0.053 0.000 1.078 1167 R HN 0.595 nan 8.270 nan 0.000 0.516 1168 R N -0.017 120.490 120.500 0.012 0.000 2.734 1168 R HA 0.179 4.521 4.340 0.004 0.000 0.271 1168 R C -0.133 176.289 176.300 0.202 0.000 1.021 1168 R CA -0.658 55.513 56.100 0.118 0.000 0.893 1168 R CB -0.296 30.054 30.300 0.084 0.000 1.244 1168 R HN 0.047 nan 8.270 nan 0.000 0.464 1169 F N 1.141 121.180 119.950 0.148 0.000 2.087 1169 F HA -0.234 4.296 4.527 0.004 0.000 0.299 1169 F C 1.738 177.636 175.800 0.164 0.000 1.100 1169 F CA 2.971 61.062 58.000 0.152 0.000 1.226 1169 F CB 0.158 39.084 39.000 -0.124 0.000 0.983 1169 F HN 0.849 nan 8.300 nan 0.000 0.479 1170 E N 0.324 120.616 120.200 0.154 0.000 2.209 1170 E HA -0.200 4.152 4.350 0.004 0.000 0.196 1170 E C 1.643 178.208 176.600 -0.058 0.000 0.993 1170 E CA 1.399 57.816 56.400 0.029 0.000 0.819 1170 E CB -0.562 29.194 29.700 0.092 0.000 0.745 1170 E HN 0.478 nan 8.360 nan 0.000 0.477 1171 D N -0.776 119.578 120.400 -0.078 0.000 2.378 1171 D HA -0.089 4.554 4.640 0.004 0.000 0.222 1171 D C 0.904 177.052 176.300 -0.253 0.000 0.980 1171 D CA 0.471 54.367 54.000 -0.174 0.000 0.907 1171 D CB -0.107 40.552 40.800 -0.235 0.000 0.899 1171 D HN 0.221 nan 8.370 nan 0.000 0.527 1172 F N 0.974 120.826 119.950 -0.164 0.000 2.367 1172 F HA 0.055 4.583 4.527 0.003 0.000 0.298 1172 F C 1.324 177.045 175.800 -0.132 0.000 1.094 1172 F CA 0.207 58.127 58.000 -0.133 0.000 1.409 1172 F CB -0.044 38.883 39.000 -0.122 0.000 1.064 1172 F HN -0.307 nan 8.300 nan 0.000 0.528 1173 K N 0.261 120.663 120.400 0.004 0.000 2.453 1173 K HA 0.203 4.526 4.320 0.004 0.000 0.280 1173 K C 1.155 177.745 176.600 -0.017 0.000 1.045 1173 K CA 0.977 57.256 56.287 -0.013 0.000 1.059 1173 K CB -0.110 32.371 32.500 -0.032 0.000 0.901 1173 K HN 0.394 nan 8.250 nan 0.000 0.475 1174 G N 2.090 110.887 108.800 -0.005 0.000 2.179 1174 G HA2 -0.249 3.713 3.960 0.004 0.000 0.260 1174 G HA3 -0.249 3.713 3.960 0.004 0.000 0.260 1174 G C 0.016 174.898 174.900 -0.029 0.000 0.977 1174 G CA 0.115 45.204 45.100 -0.018 0.000 0.641 1174 G HN 0.515 nan 8.290 nan 0.000 0.533 1175 V N 1.503 121.401 119.914 -0.026 0.000 2.508 1175 V HA 0.255 4.377 4.120 0.004 0.000 0.281 1175 V C 0.908 176.973 176.094 -0.049 0.000 1.041 1175 V CA 0.069 62.338 62.300 -0.051 0.000 1.016 1175 V CB 1.325 33.109 31.823 -0.064 0.000 0.984 1175 V HN 0.301 nan 8.190 nan 0.000 0.478 1176 K N 5.082 125.444 120.400 -0.063 0.000 2.220 1176 K HA 0.335 4.657 4.320 0.004 0.000 0.283 1176 K C -0.706 175.839 176.600 -0.091 0.000 1.098 1176 K CA -0.383 55.865 56.287 -0.064 0.000 0.928 1176 K CB 0.519 32.983 32.500 -0.059 0.000 1.214 1176 K HN 0.400 nan 8.250 nan 0.000 0.442 1177 L N 3.300 124.457 121.223 -0.109 0.000 2.287 1177 L HA 0.285 4.627 4.340 0.004 0.000 0.287 1177 L C -0.297 176.484 176.870 -0.148 0.000 1.022 1177 L CA -0.528 54.212 54.840 -0.168 0.000 0.814 1177 L CB 1.039 42.922 42.059 -0.293 0.000 1.217 1177 L HN 0.400 nan 8.230 nan 0.000 0.420 1178 R N 4.982 125.405 120.500 -0.128 0.000 2.347 1178 R HA 0.593 4.935 4.340 0.004 0.000 0.304 1178 R C -1.384 174.875 176.300 -0.068 0.000 1.072 1178 R CA -0.019 56.032 56.100 -0.081 0.000 0.980 1178 R CB 0.387 30.642 30.300 -0.075 0.000 0.986 1178 R HN 0.590 nan 8.270 nan 0.000 0.448 1179 V N 2.185 122.084 119.914 -0.025 0.000 3.181 1179 V HA 0.545 4.668 4.120 0.004 0.000 0.308 1179 V C -2.318 173.804 176.094 0.047 0.000 1.214 1179 V CA -1.706 60.607 62.300 0.021 0.000 1.053 1179 V CB 2.268 34.114 31.823 0.039 0.000 1.069 1179 V HN 0.649 nan 8.190 nan 0.000 0.441 1180 P HA 0.242 nan 4.420 nan 0.000 0.249 1180 P C 0.777 178.061 177.300 -0.027 0.000 1.593 1180 P CA 1.233 64.374 63.100 0.067 0.000 0.896 1180 P CB -0.107 31.692 31.700 0.165 0.000 1.581 1181 G N 0.283 109.059 108.800 -0.039 0.000 2.601 1181 G HA2 -0.026 3.936 3.960 0.004 0.000 0.261 1181 G HA3 -0.026 3.936 3.960 0.004 0.000 0.261 1181 G C 0.420 175.278 174.900 -0.070 0.000 1.289 1181 G CA 0.159 45.231 45.100 -0.047 0.000 0.920 1181 G HN 0.689 nan 8.290 nan 0.000 0.571 1182 G N -1.612 107.151 108.800 -0.061 0.000 2.574 1182 G HA2 -0.126 3.836 3.960 0.004 0.000 0.282 1182 G HA3 -0.126 3.836 3.960 0.004 0.000 0.282 1182 G C 1.248 175.840 174.900 -0.515 0.000 1.257 1182 G CA 1.414 46.323 45.100 -0.319 0.000 0.956 1182 G HN 1.823 nan 8.290 nan 0.000 0.560 1183 M N -0.224 118.688 119.600 -1.148 0.000 2.229 1183 M HA -0.035 4.448 4.480 0.004 0.000 0.264 1183 M C 2.555 178.644 176.300 -0.351 0.000 1.063 1183 M CA 1.567 56.277 55.300 -0.983 0.000 1.114 1183 M CB -0.307 31.548 32.600 -1.242 0.000 1.387 1183 M HN 0.532 nan 8.290 nan 0.000 0.420 1184 I N 0.524 120.936 120.570 -0.263 0.000 2.179 1184 I HA -0.213 3.960 4.170 0.004 0.000 0.242 1184 I C 2.679 178.823 176.117 0.045 0.000 1.088 1184 I CA 1.659 62.907 61.300 -0.087 0.000 1.357 1184 I CB -2.051 35.935 38.000 -0.024 0.000 1.051 1184 I HN 0.259 nan 8.210 nan 0.000 0.409 1185 A N 0.188 123.048 122.820 0.065 0.000 1.933 1185 A HA -0.239 4.084 4.320 0.004 0.000 0.218 1185 A C 2.385 180.064 177.584 0.159 0.000 1.175 1185 A CA 1.793 53.920 52.037 0.151 0.000 0.628 1185 A CB -0.702 18.351 19.000 0.087 0.000 0.814 1185 A HN 0.519 nan 8.150 nan 0.000 0.444 1186 E N -0.323 119.950 120.200 0.122 0.000 2.072 1186 E HA -0.121 4.231 4.350 0.004 0.000 0.191 1186 E C 1.835 178.517 176.600 0.136 0.000 0.985 1186 E CA 1.315 57.812 56.400 0.163 0.000 0.801 1186 E CB -0.088 29.771 29.700 0.265 0.000 0.750 1186 E HN 0.332 nan 8.360 nan 0.000 0.452 1187 V N 0.502 120.461 119.914 0.076 0.000 2.427 1187 V HA -0.217 3.905 4.120 0.004 0.000 0.248 1187 V C 1.927 178.085 176.094 0.107 0.000 1.051 1187 V CA 1.467 63.802 62.300 0.059 0.000 1.048 1187 V CB -0.527 31.269 31.823 -0.044 0.000 0.666 1187 V HN 0.285 nan 8.190 nan 0.000 0.456 1188 F N 0.752 120.756 119.950 0.091 0.000 2.186 1188 F HA -0.032 4.497 4.527 0.004 0.000 0.299 1188 F C 2.372 178.194 175.800 0.038 0.000 1.090 1188 F CA 0.998 59.011 58.000 0.022 0.000 1.307 1188 F CB -0.961 37.987 39.000 -0.085 0.000 1.019 1188 F HN 0.095 nan 8.300 nan 0.000 0.489 1189 A N -0.207 122.758 122.820 0.243 0.000 1.930 1189 A HA 0.008 4.331 4.320 0.004 0.000 0.217 1189 A C 2.392 180.054 177.584 0.129 0.000 1.175 1189 A CA 1.438 53.566 52.037 0.152 0.000 0.627 1189 A CB -1.226 17.848 19.000 0.124 0.000 0.815 1189 A HN 0.257 nan 8.150 nan 0.000 0.443 1190 A N -0.442 122.463 122.820 0.142 0.000 2.070 1190 A HA 0.228 4.550 4.320 0.004 0.000 0.220 1190 A C 2.114 179.779 177.584 0.134 0.000 1.159 1190 A CA 1.695 53.809 52.037 0.128 0.000 0.656 1190 A CB -0.585 18.495 19.000 0.133 0.000 0.800 1190 A HN 1.055 nan 8.150 nan 0.000 0.453 1191 A N -2.154 120.742 122.820 0.126 0.000 2.275 1191 A HA 0.449 4.771 4.320 0.004 0.000 0.212 1191 A C 1.637 179.176 177.584 -0.075 0.000 1.201 1191 A CA 1.066 53.077 52.037 -0.044 0.000 0.843 1191 A CB -0.632 18.257 19.000 -0.185 0.000 0.873 1191 A HN 1.774 nan 8.150 nan 0.000 0.492 1192 G N -2.037 106.783 108.800 0.033 0.000 2.176 1192 G HA2 0.124 4.086 3.960 0.004 0.000 0.232 1192 G HA3 0.124 4.086 3.960 0.004 0.000 0.232 1192 G C 0.408 175.338 174.900 0.049 0.000 0.986 1192 G CA 0.159 45.276 45.100 0.029 0.000 0.643 1192 G HN 1.512 nan 8.290 nan 0.000 0.522 1193 A N 0.088 122.961 122.820 0.089 0.000 2.302 1193 A HA 0.761 5.083 4.320 0.004 0.000 0.285 1193 A C 0.667 178.276 177.584 0.042 0.000 1.105 1193 A CA 0.596 52.677 52.037 0.073 0.000 0.816 1193 A CB 0.760 19.815 19.000 0.092 0.000 1.067 1193 A HN 0.985 nan 8.150 nan 0.000 0.489 1194 S N 1.559 117.265 115.700 0.009 0.000 2.415 1194 S HA 0.385 4.857 4.470 0.004 0.000 0.313 1194 S C 0.498 175.089 174.600 -0.015 0.000 1.067 1194 S CA -0.230 57.971 58.200 0.001 0.000 1.099 1194 S CB 0.076 63.270 63.200 -0.010 0.000 0.991 1194 S HN 0.932 nan 8.310 nan 0.000 0.491 1195 T N 0.607 115.162 114.554 0.002 0.000 2.913 1195 T HA 0.604 4.956 4.350 0.004 0.000 0.297 1195 T C -0.051 174.638 174.700 -0.017 0.000 1.029 1195 T CA -0.584 61.509 62.100 -0.011 0.000 1.104 1195 T CB 0.619 69.505 68.868 0.030 0.000 0.964 1195 T HN 0.229 nan 8.240 nan 0.000 0.532 1196 V N 2.792 122.687 119.914 -0.031 0.000 2.760 1196 V HA 0.427 4.549 4.120 0.004 0.000 0.309 1196 V C -0.806 175.275 176.094 -0.022 0.000 1.077 1196 V CA -1.077 61.208 62.300 -0.026 0.000 0.910 1196 V CB 1.869 33.671 31.823 -0.035 0.000 1.008 1196 V HN 0.799 nan 8.190 nan 0.000 0.424 1197 L N 5.392 126.604 121.223 -0.019 0.000 2.264 1197 L HA 0.681 5.024 4.340 0.004 0.000 0.289 1197 L C -0.445 176.470 176.870 0.075 0.000 1.044 1197 L CA 0.294 55.123 54.840 -0.018 0.000 0.807 1197 L CB 0.988 42.980 42.059 -0.113 0.000 1.192 1197 L HN 0.447 nan 8.230 nan 0.000 0.425 1198 L N 4.668 125.974 121.223 0.139 0.000 2.513 1198 L HA 0.513 4.855 4.340 0.004 0.000 0.261 1198 L C -2.455 174.480 176.870 0.108 0.000 0.945 1198 L CA -1.654 53.262 54.840 0.128 0.000 0.848 1198 L CB 2.907 44.969 42.059 0.005 0.000 1.334 1198 L HN 0.343 nan 8.230 nan 0.000 0.407 1199 P HA 0.088 nan 4.420 nan 0.000 0.272 1199 P C 0.631 177.796 177.300 -0.224 0.000 1.223 1199 P CA -0.120 62.775 63.100 -0.342 0.000 0.784 1199 P CB 0.869 32.244 31.700 -0.542 0.000 0.923 1200 G N 1.926 110.544 108.800 -0.305 0.000 2.442 1200 G HA2 -0.236 3.726 3.960 0.004 0.000 0.219 1200 G HA3 -0.236 3.726 3.960 0.004 0.000 0.219 1200 G C 1.586 176.217 174.900 -0.448 0.000 1.141 1200 G CA 0.888 45.429 45.100 -0.932 0.000 0.763 1200 G HN 0.658 nan 8.290 nan 0.000 0.554 1201 G N -0.182 108.481 108.800 -0.227 0.000 2.625 1201 G HA2 0.064 4.026 3.960 0.004 0.000 0.214 1201 G HA3 0.064 4.026 3.960 0.004 0.000 0.214 1201 G C 1.313 176.172 174.900 -0.067 0.000 1.132 1201 G CA 0.572 45.610 45.100 -0.103 0.000 0.782 1201 G HN 0.542 nan 8.290 nan 0.000 0.538 1202 E N -0.619 119.522 120.200 -0.097 0.000 2.498 1202 E HA 0.152 4.504 4.350 0.004 0.000 0.203 1202 E C 2.011 178.573 176.600 -0.063 0.000 1.013 1202 E CA -0.328 56.035 56.400 -0.062 0.000 0.927 1202 E CB 0.765 30.419 29.700 -0.076 0.000 1.012 1202 E HN 0.247 nan 8.360 nan 0.000 0.482 1203 V N 0.678 120.537 119.914 -0.092 0.000 2.379 1203 V HA -0.263 3.859 4.120 0.004 0.000 0.245 1203 V C 1.937 177.915 176.094 -0.193 0.000 1.044 1203 V CA 1.708 63.887 62.300 -0.202 0.000 1.036 1203 V CB -0.469 31.122 31.823 -0.386 0.000 0.664 1203 V HN 0.373 nan 8.190 nan 0.000 0.453 1204 Y N 1.913 122.137 120.300 -0.128 0.000 2.053 1204 Y HA -0.218 4.335 4.550 0.003 0.000 0.277 1204 Y C 0.070 175.912 175.900 -0.097 0.000 1.159 1204 Y CA 2.558 60.614 58.100 -0.073 0.000 1.125 1204 Y CB -1.561 36.932 38.460 0.055 0.000 0.969 1204 Y HN 0.306 nan 8.280 nan 0.000 0.492 1205 P HA -0.206 nan 4.420 nan 0.000 0.215 1205 P C 1.434 178.678 177.300 -0.092 0.000 1.153 1205 P CA 2.559 65.668 63.100 0.015 0.000 0.853 1205 P CB -0.353 31.380 31.700 0.055 0.000 0.788 1206 A N -0.814 121.947 122.820 -0.098 0.000 1.940 1206 A HA -0.180 4.142 4.320 0.004 0.000 0.219 1206 A C 2.219 179.711 177.584 -0.154 0.000 1.176 1206 A CA 1.504 53.473 52.037 -0.114 0.000 0.631 1206 A CB -1.639 17.294 19.000 -0.112 0.000 0.814 1206 A HN 0.117 nan 8.150 nan 0.000 0.446 1207 L N -1.272 119.817 121.223 -0.223 0.000 2.044 1207 L HA -0.150 4.193 4.340 0.004 0.000 0.205 1207 L C 2.666 179.393 176.870 -0.238 0.000 1.075 1207 L CA 1.698 56.391 54.840 -0.246 0.000 0.747 1207 L CB -0.501 41.357 42.059 -0.334 0.000 0.903 1207 L HN 0.557 nan 8.230 nan 0.000 0.435 1208 E N 0.519 120.528 120.200 -0.319 0.000 2.160 1208 E HA -0.222 4.130 4.350 0.004 0.000 0.195 1208 E C 2.016 178.523 176.600 -0.155 0.000 0.991 1208 E CA 1.112 57.345 56.400 -0.280 0.000 0.810 1208 E CB 0.177 29.662 29.700 -0.358 0.000 0.742 1208 E HN 0.359 nan 8.360 nan 0.000 0.466 1209 R N -1.234 119.190 120.500 -0.126 0.000 2.317 1209 R HA 0.124 4.467 4.340 0.004 0.000 0.208 1209 R C 1.148 177.403 176.300 -0.076 0.000 0.914 1209 R CA 0.474 56.525 56.100 -0.082 0.000 1.060 1209 R CB 0.597 30.860 30.300 -0.062 0.000 1.015 1209 R HN 0.284 nan 8.270 nan 0.000 0.498 1210 G N 0.532 109.278 108.800 -0.091 0.000 2.155 1210 G HA2 -0.286 3.676 3.960 0.004 0.000 0.257 1210 G HA3 -0.286 3.676 3.960 0.004 0.000 0.257 1210 G C 0.846 175.704 174.900 -0.070 0.000 0.983 1210 G CA 0.432 45.486 45.100 -0.077 0.000 0.676 1210 G HN 0.205 nan 8.290 nan 0.000 0.528 1211 V N 0.528 120.398 119.914 -0.074 0.000 2.407 1211 V HA 0.061 4.183 4.120 0.004 0.000 0.248 1211 V C 1.693 177.745 176.094 -0.069 0.000 1.055 1211 V CA 2.189 64.451 62.300 -0.064 0.000 1.049 1211 V CB -0.558 31.228 31.823 -0.062 0.000 0.662 1211 V HN 0.820 nan 8.190 nan 0.000 0.455 1212 I N -3.941 116.576 120.570 -0.088 0.000 2.892 1212 I HA 0.546 4.718 4.170 0.004 0.000 0.306 1212 I C 0.161 176.219 176.117 -0.099 0.000 1.078 1212 I CA -0.751 60.493 61.300 -0.094 0.000 1.032 1212 I CB 2.027 39.961 38.000 -0.111 0.000 1.229 1212 I HN -0.201 nan 8.210 nan 0.000 0.435 1213 D N 2.188 122.532 120.400 -0.093 0.000 2.323 1213 D HA 0.308 4.950 4.640 0.004 0.000 0.218 1213 D C 0.606 176.853 176.300 -0.089 0.000 0.973 1213 D CA 0.779 54.727 54.000 -0.086 0.000 0.890 1213 D CB 0.993 41.743 40.800 -0.084 0.000 1.011 1213 D HN 0.687 nan 8.370 nan 0.000 0.499 1214 A N -0.022 122.736 122.820 -0.104 0.000 2.530 1214 A HA 0.809 5.131 4.320 0.004 0.000 0.288 1214 A C -1.556 175.957 177.584 -0.118 0.000 1.172 1214 A CA -0.271 51.709 52.037 -0.095 0.000 0.733 1214 A CB 2.083 21.022 19.000 -0.100 0.000 1.320 1214 A HN 0.076 nan 8.150 nan 0.000 0.419 1215 A N 0.389 123.160 122.820 -0.081 0.000 2.540 1215 A HA 0.626 4.948 4.320 0.004 0.000 0.297 1215 A C -1.851 175.767 177.584 0.056 0.000 1.056 1215 A CA -0.145 51.847 52.037 -0.075 0.000 0.700 1215 A CB 1.435 20.312 19.000 -0.205 0.000 1.280 1215 A HN 1.034 nan 8.150 nan 0.000 0.398 1216 D N 1.737 122.176 120.400 0.065 0.000 2.460 1216 D HA 0.558 5.200 4.640 0.004 0.000 0.232 1216 D C -0.313 176.151 176.300 0.273 0.000 1.079 1216 D CA -0.175 53.916 54.000 0.151 0.000 0.864 1216 D CB 0.365 41.207 40.800 0.070 0.000 1.048 1216 D HN 0.239 nan 8.370 nan 0.000 0.523 1217 F N 4.143 124.207 119.950 0.191 0.000 2.276 1217 F HA 0.450 4.980 4.527 0.004 0.000 0.213 1217 F C 0.414 176.282 175.800 0.112 0.000 1.098 1217 F CA 0.719 58.824 58.000 0.174 0.000 1.162 1217 F CB -0.442 38.775 39.000 0.361 0.000 1.511 1217 F HN 0.232 nan 8.300 nan 0.000 0.540 1218 V N -0.807 119.006 119.914 -0.169 0.000 5.502 1218 V HA 0.853 4.975 4.120 0.004 0.000 0.283 1218 V C 0.576 176.711 176.094 0.067 0.000 1.523 1218 V CA -0.198 62.002 62.300 -0.166 0.000 0.749 1218 V CB 0.090 31.822 31.823 -0.152 0.000 1.393 1218 V HN 0.572 nan 8.190 nan 0.000 0.425 1219 G N -0.200 108.636 108.800 0.060 0.000 2.563 1219 G HA2 0.489 4.451 3.960 0.004 0.000 0.283 1219 G HA3 0.489 4.451 3.960 0.004 0.000 0.283 1219 G C -1.403 173.520 174.900 0.039 0.000 1.309 1219 G CA -0.414 44.699 45.100 0.022 0.000 1.022 1219 G HN 0.660 nan 8.290 nan 0.000 0.501 1220 P HA -0.138 nan 4.420 nan 0.000 0.216 1220 P C 1.906 179.212 177.300 0.011 0.000 1.153 1220 P CA 2.100 65.112 63.100 -0.147 0.000 0.848 1220 P CB 0.060 31.211 31.700 -0.915 0.000 0.787 1221 A N 0.009 122.754 122.820 -0.125 0.000 1.877 1221 A HA -0.108 4.215 4.320 0.004 0.000 0.216 1221 A C 2.532 180.091 177.584 -0.041 0.000 1.186 1221 A CA 1.979 53.944 52.037 -0.119 0.000 0.620 1221 A CB -1.642 17.253 19.000 -0.175 0.000 0.822 1221 A HN 0.069 nan 8.150 nan 0.000 0.443 1222 V N 0.891 120.780 119.914 -0.041 0.000 2.427 1222 V HA -0.215 3.908 4.120 0.004 0.000 0.248 1222 V C 2.207 178.291 176.094 -0.016 0.000 1.051 1222 V CA 2.000 64.287 62.300 -0.021 0.000 1.048 1222 V CB -1.031 30.799 31.823 0.011 0.000 0.666 1222 V HN 0.528 nan 8.190 nan 0.000 0.456 1223 N N -0.466 118.231 118.700 -0.005 0.000 2.149 1223 N HA -0.209 4.533 4.740 0.004 0.000 0.188 1223 N C 1.678 176.980 175.510 -0.346 0.000 1.019 1223 N CA 1.599 54.441 53.050 -0.348 0.000 0.857 1223 N CB -0.479 38.009 38.487 0.003 0.000 0.997 1223 N HN 0.654 nan 8.380 nan 0.000 0.426 1224 Y N 1.479 121.718 120.300 -0.101 0.000 2.200 1224 Y HA -0.052 4.501 4.550 0.004 0.000 0.290 1224 Y C 1.849 177.701 175.900 -0.079 0.000 1.137 1224 Y CA 1.437 59.486 58.100 -0.086 0.000 1.163 1224 Y CB -0.342 37.904 38.460 -0.357 0.000 0.988 1224 Y HN 0.142 nan 8.280 nan 0.000 0.518 1225 N N -0.014 118.707 118.700 0.034 0.000 2.104 1225 N HA -0.214 4.529 4.740 0.004 0.000 0.190 1225 N C 1.345 176.778 175.510 -0.129 0.000 1.024 1225 N CA 1.456 54.495 53.050 -0.018 0.000 0.853 1225 N CB -0.288 38.183 38.487 -0.027 0.000 1.008 1225 N HN 0.328 nan 8.380 nan 0.000 0.424 1226 L N -0.070 121.007 121.223 -0.243 0.000 2.599 1226 L HA 0.129 4.471 4.340 0.004 0.000 0.230 1226 L C 1.206 177.918 176.870 -0.263 0.000 1.141 1226 L CA 0.005 54.665 54.840 -0.300 0.000 0.877 1226 L CB -0.312 41.481 42.059 -0.442 0.000 1.009 1226 L HN 0.272 nan 8.230 nan 0.000 0.447 1227 G N -0.677 107.957 108.800 -0.277 0.000 2.153 1227 G HA2 -0.321 3.641 3.960 0.004 0.000 0.252 1227 G HA3 -0.321 3.641 3.960 0.004 0.000 0.252 1227 G C 0.572 175.456 174.900 -0.026 0.000 0.994 1227 G CA 0.158 45.072 45.100 -0.309 0.000 0.698 1227 G HN 0.218 nan 8.290 nan 0.000 0.521 1228 F N 0.941 120.862 119.950 -0.048 0.000 2.236 1228 F HA -0.085 4.444 4.527 0.003 0.000 0.302 1228 F C 2.469 178.267 175.800 -0.004 0.000 1.073 1228 F CA 1.351 59.312 58.000 -0.065 0.000 1.336 1228 F CB -1.255 37.547 39.000 -0.330 0.000 1.040 1228 F HN 0.748 nan 8.300 nan 0.000 0.507 1229 H N -1.471 117.751 119.070 0.253 0.000 2.518 1229 H HA -0.065 4.493 4.556 0.004 0.000 0.289 1229 H C 1.673 177.081 175.328 0.133 0.000 1.051 1229 H CA 1.264 57.462 56.048 0.250 0.000 1.280 1229 H CB -0.724 29.124 29.762 0.144 0.000 1.380 1229 H HN 0.342 nan 8.280 nan 0.000 0.566 1230 Q N 0.792 120.431 119.800 -0.268 0.000 2.269 1230 Q HA 0.027 4.369 4.340 0.004 0.000 0.201 1230 Q C 1.418 177.366 176.000 -0.087 0.000 0.946 1230 Q CA 1.302 57.029 55.803 -0.128 0.000 0.877 1230 Q CB 0.697 29.380 28.738 -0.091 0.000 0.963 1230 Q HN 0.641 nan 8.270 nan 0.000 0.472 1231 V N -4.195 115.641 119.914 -0.129 0.000 3.276 1231 V HA 0.664 4.786 4.120 0.004 0.000 0.319 1231 V C -0.045 175.992 176.094 -0.095 0.000 1.427 1231 V CA -0.096 62.085 62.300 -0.197 0.000 1.102 1231 V CB 0.508 32.048 31.823 -0.472 0.000 1.020 1231 V HN 0.057 nan 8.190 nan 0.000 0.456 1232 A N 0.345 123.175 122.820 0.016 0.000 2.500 1232 A HA 0.718 5.041 4.320 0.004 0.000 0.291 1232 A C -0.034 177.620 177.584 0.116 0.000 1.048 1232 A CA -0.481 51.605 52.037 0.082 0.000 0.791 1232 A CB 1.468 20.544 19.000 0.127 0.000 1.309 1232 A HN -0.027 nan 8.150 nan 0.000 0.397 1233 K N 1.139 121.533 120.400 -0.011 0.000 2.410 1233 K HA 0.235 4.557 4.320 0.004 0.000 0.200 1233 K C -1.115 175.245 176.600 -0.400 0.000 1.023 1233 K CA 0.580 56.752 56.287 -0.191 0.000 1.149 1233 K CB -0.246 32.051 32.500 -0.337 0.000 0.859 1233 K HN 0.663 nan 8.250 nan 0.000 0.514 1234 Y N -0.449 119.899 120.300 0.079 0.000 2.477 1234 Y HA 0.483 5.035 4.550 0.003 0.000 0.347 1234 Y C -0.042 175.844 175.900 -0.024 0.000 0.981 1234 Y CA -0.923 57.193 58.100 0.028 0.000 1.033 1234 Y CB 1.849 40.307 38.460 -0.003 0.000 1.245 1234 Y HN -0.214 nan 8.280 nan 0.000 0.455 1235 I N 4.619 125.244 120.570 0.092 0.000 2.465 1235 I HA 0.406 4.578 4.170 0.004 0.000 0.291 1235 I C -1.168 174.964 176.117 0.025 0.000 1.014 1235 I CA -0.816 60.435 61.300 -0.082 0.000 1.093 1235 I CB 1.431 39.324 38.000 -0.179 0.000 1.267 1235 I HN 0.389 nan 8.210 nan 0.000 0.431 1236 I N 6.823 127.410 120.570 0.027 0.000 2.378 1236 I HA 0.536 4.709 4.170 0.004 0.000 0.291 1236 I C -0.156 176.036 176.117 0.125 0.000 0.992 1236 I CA -0.447 60.902 61.300 0.081 0.000 1.154 1236 I CB 1.297 39.349 38.000 0.088 0.000 1.315 1236 I HN 0.552 nan 8.210 nan 0.000 0.448 1237 M N 2.973 122.649 119.600 0.128 0.000 2.667 1237 M HA 0.593 5.075 4.480 0.004 0.000 0.286 1237 M C 0.469 176.855 176.300 0.143 0.000 1.270 1237 M CA -0.639 54.741 55.300 0.133 0.000 0.826 1237 M CB 2.713 35.363 32.600 0.083 0.000 1.743 1237 M HN 0.671 nan 8.290 nan 0.000 0.460 1238 G N 0.764 109.640 108.800 0.128 0.000 2.588 1238 G HA2 0.565 4.527 3.960 0.004 0.000 0.278 1238 G HA3 0.565 4.527 3.960 0.004 0.000 0.278 1238 G C -2.738 172.209 174.900 0.079 0.000 1.307 1238 G CA -0.984 44.187 45.100 0.119 0.000 1.016 1238 G HN 0.359 nan 8.290 nan 0.000 0.503 1239 P HA 0.183 nan 4.420 nan 0.000 0.274 1239 P C -2.181 175.132 177.300 0.021 0.000 1.256 1239 P CA -1.191 61.933 63.100 0.041 0.000 0.795 1239 P CB 1.123 32.848 31.700 0.042 0.000 1.038 1240 P HA -0.171 nan 4.420 nan 0.000 0.217 1240 P C 1.152 178.454 177.300 0.005 0.000 1.148 1240 P CA 1.737 64.835 63.100 -0.004 0.000 0.828 1240 P CB -0.124 31.569 31.700 -0.011 0.000 0.783 1241 E N -1.649 118.555 120.200 0.006 0.000 2.274 1241 E HA -0.030 4.323 4.350 0.004 0.000 0.194 1241 E C 0.095 176.695 176.600 0.000 0.000 0.996 1241 E CA 1.024 57.425 56.400 0.001 0.000 0.840 1241 E CB -0.449 29.248 29.700 -0.006 0.000 0.772 1241 E HN 0.162 nan 8.360 nan 0.000 0.491 1242 T N 0.504 115.064 114.554 0.010 0.000 3.446 1242 T HA 0.162 4.515 4.350 0.004 0.000 0.289 1242 T C -2.417 172.300 174.700 0.029 0.000 1.203 1242 T CA -1.047 61.059 62.100 0.011 0.000 1.645 1242 T CB 1.287 70.155 68.868 -0.001 0.000 0.841 1242 T HN -0.124 nan 8.240 nan 0.000 0.617 1243 P HA 0.012 nan 4.420 nan 0.000 0.216 1243 P C 0.264 177.605 177.300 0.068 0.000 1.150 1243 P CA 0.765 63.894 63.100 0.048 0.000 0.843 1243 P CB 0.241 31.970 31.700 0.048 0.000 0.787 1244 A N -1.254 121.599 122.820 0.056 0.000 2.310 1244 A HA 0.428 4.750 4.320 0.004 0.000 0.304 1244 A C 0.723 178.304 177.584 -0.005 0.000 1.231 1244 A CA -0.486 51.585 52.037 0.057 0.000 0.799 1244 A CB 0.068 19.103 19.000 0.059 0.000 1.162 1244 A HN -0.072 nan 8.150 nan 0.000 0.486 1245 I N 0.593 121.132 120.570 -0.051 0.000 2.480 1245 I HA -0.071 4.102 4.170 0.004 0.000 0.251 1245 I C 1.883 177.705 176.117 -0.491 0.000 1.124 1245 I CA 1.183 62.308 61.300 -0.292 0.000 1.444 1245 I CB -0.088 37.609 38.000 -0.505 0.000 1.098 1245 I HN 0.846 nan 8.210 nan 0.000 0.428 1246 H N -0.305 118.631 119.070 -0.223 0.000 2.388 1246 H HA 0.197 4.755 4.556 0.004 0.000 0.304 1246 H C 0.430 175.676 175.328 -0.136 0.000 1.049 1246 H CA 0.525 56.425 56.048 -0.248 0.000 1.371 1246 H CB 0.239 29.793 29.762 -0.346 0.000 1.436 1246 H HN 0.169 nan 8.280 nan 0.000 0.544 1247 Q N 1.303 121.123 119.800 0.034 0.000 2.932 1247 Q HA 0.160 4.502 4.340 0.004 0.000 0.248 1247 Q C -2.200 173.780 176.000 -0.033 0.000 0.982 1247 Q CA -1.524 54.260 55.803 -0.032 0.000 0.730 1247 Q CB 2.295 31.013 28.738 -0.032 0.000 1.249 1247 Q HN 0.302 nan 8.270 nan 0.000 0.476 1248 P HA -0.035 nan 4.420 nan 0.000 0.225 1248 P C 0.300 177.597 177.300 -0.005 0.000 1.156 1248 P CA 0.652 63.757 63.100 0.009 0.000 0.787 1248 P CB 0.639 32.366 31.700 0.045 0.000 0.802 1249 V N 1.299 121.150 119.914 -0.105 0.000 2.558 1249 V HA 0.160 4.282 4.120 0.004 0.000 0.261 1249 V C -0.567 175.356 176.094 -0.285 0.000 0.958 1249 V CA -0.686 61.509 62.300 -0.176 0.000 0.852 1249 V CB 0.917 32.580 31.823 -0.266 0.000 1.067 1249 V HN -0.107 nan 8.190 nan 0.000 0.468 1250 D N 4.048 124.373 120.400 -0.125 0.000 2.470 1250 D HA 0.286 4.929 4.640 0.004 0.000 0.226 1250 D C 0.197 176.540 176.300 0.071 0.000 1.196 1250 D CA 0.076 54.039 54.000 -0.062 0.000 0.979 1250 D CB 0.281 41.082 40.800 0.001 0.000 1.059 1250 D HN 0.426 nan 8.370 nan 0.000 0.515 1251 L N 2.716 123.878 121.223 -0.101 0.000 2.439 1251 L HA 0.254 4.596 4.340 0.004 0.000 0.269 1251 L C 1.015 177.823 176.870 -0.103 0.000 1.179 1251 L CA -0.178 54.613 54.840 -0.082 0.000 0.828 1251 L CB 0.726 42.701 42.059 -0.140 0.000 1.106 1251 L HN 0.218 nan 8.230 nan 0.000 0.467 1252 M N 1.674 121.149 119.600 -0.209 0.000 2.823 1252 M HA 0.454 4.936 4.480 0.004 0.000 0.282 1252 M C -1.002 175.089 176.300 -0.347 0.000 1.177 1252 M CA -0.470 54.574 55.300 -0.427 0.000 0.871 1252 M CB 1.943 34.133 32.600 -0.683 0.000 1.595 1252 M HN 0.744 nan 8.290 nan 0.000 0.524 1253 D N -1.202 118.935 120.400 -0.437 0.000 2.713 1253 D HA 0.449 5.091 4.640 0.004 0.000 0.306 1253 D C -1.825 174.172 176.300 -0.505 0.000 1.299 1253 D CA -0.586 53.167 54.000 -0.412 0.000 0.823 1253 D CB 0.892 41.458 40.800 -0.390 0.000 1.353 1253 D HN 0.324 nan 8.370 nan 0.000 0.447 1254 F N -0.322 119.378 119.950 -0.415 0.000 2.477 1254 F HA 0.621 5.150 4.527 0.003 0.000 0.335 1254 F C -0.314 175.282 175.800 -0.340 0.000 1.130 1254 F CA -0.230 57.638 58.000 -0.219 0.000 0.948 1254 F CB 2.760 41.736 39.000 -0.041 0.000 1.154 1254 F HN 0.247 nan 8.300 nan 0.000 0.439 1255 T N 5.480 119.956 114.554 -0.130 0.000 2.841 1255 T HA 0.580 4.932 4.350 0.004 0.000 0.285 1255 T C -0.687 173.949 174.700 -0.107 0.000 0.991 1255 T CA -0.504 61.461 62.100 -0.225 0.000 0.966 1255 T CB 1.138 69.843 68.868 -0.271 0.000 0.962 1255 T HN 0.132 nan 8.240 nan 0.000 0.438 1256 I N 3.017 123.514 120.570 -0.121 0.000 2.562 1256 I HA 0.357 4.529 4.170 0.004 0.000 0.301 1256 I C 0.673 176.715 176.117 -0.126 0.000 1.003 1256 I CA -1.136 60.064 61.300 -0.166 0.000 1.127 1256 I CB 1.523 39.419 38.000 -0.173 0.000 1.304 1256 I HN 0.644 nan 8.210 nan 0.000 0.446 1257 N N 4.062 122.649 118.700 -0.187 0.000 2.365 1257 N HA -0.096 4.646 4.740 0.004 0.000 0.265 1257 N C 0.921 176.428 175.510 -0.005 0.000 1.288 1257 N CA -0.081 52.897 53.050 -0.119 0.000 0.869 1257 N CB 0.861 39.259 38.487 -0.149 0.000 1.071 1257 N HN 0.549 nan 8.380 nan 0.000 0.480 1258 L N 5.559 126.813 121.223 0.051 0.000 2.043 1258 L HA -0.197 4.145 4.340 0.004 0.000 0.212 1258 L C 2.145 179.103 176.870 0.147 0.000 1.075 1258 L CA 1.771 56.703 54.840 0.155 0.000 0.752 1258 L CB -0.978 41.163 42.059 0.137 0.000 0.891 1258 L HN 0.735 nan 8.230 nan 0.000 0.432 1259 N N -0.795 117.947 118.700 0.070 0.000 2.142 1259 N HA -0.200 4.542 4.740 0.004 0.000 0.186 1259 N C 1.873 177.410 175.510 0.045 0.000 1.023 1259 N CA 0.917 53.998 53.050 0.052 0.000 0.852 1259 N CB 0.051 38.554 38.487 0.027 0.000 0.998 1259 N HN 0.310 nan 8.380 nan 0.000 0.424 1260 R N 0.461 120.975 120.500 0.023 0.000 2.081 1260 R HA -0.140 4.202 4.340 0.004 0.000 0.235 1260 R C 2.017 178.365 176.300 0.080 0.000 1.131 1260 R CA 0.684 56.795 56.100 0.018 0.000 0.960 1260 R CB -1.302 28.916 30.300 -0.135 0.000 0.856 1260 R HN 0.556 nan 8.270 nan 0.000 0.436 1261 W N 2.279 123.514 121.300 -0.109 0.000 2.333 1261 W HA -0.194 4.468 4.660 0.004 0.000 0.316 1261 W C 1.558 178.010 176.519 -0.112 0.000 1.215 1261 W CA 1.305 58.591 57.345 -0.097 0.000 1.278 1261 W CB -0.183 29.176 29.460 -0.169 0.000 1.154 1261 W HN 0.065 nan 8.180 nan 0.000 0.486 1262 R N 0.121 120.596 120.500 -0.042 0.000 2.241 1262 R HA -0.087 4.255 4.340 0.004 0.000 0.224 1262 R C 2.216 178.414 176.300 -0.171 0.000 1.101 1262 R CA 1.461 57.480 56.100 -0.134 0.000 0.995 1262 R CB -0.306 30.001 30.300 0.013 0.000 0.870 1262 R HN 0.009 nan 8.270 nan 0.000 0.463 1263 S N 0.436 116.057 115.700 -0.132 0.000 2.528 1263 S HA 0.045 4.517 4.470 0.004 0.000 0.219 1263 S C 0.374 174.833 174.600 -0.235 0.000 0.985 1263 S CA -0.220 57.914 58.200 -0.110 0.000 0.914 1263 S CB 0.136 63.328 63.200 -0.014 0.000 0.776 1263 S HN 0.095 nan 8.310 nan 0.000 0.526 1264 L N 3.405 124.394 121.223 -0.390 0.000 2.331 1264 L HA 0.367 4.709 4.340 0.004 0.000 0.278 1264 L C -2.713 173.824 176.870 -0.556 0.000 1.106 1264 L CA -2.124 52.334 54.840 -0.637 0.000 0.824 1264 L CB 0.099 41.760 42.059 -0.663 0.000 1.142 1264 L HN -0.148 nan 8.230 nan 0.000 0.443 1265 P HA -0.032 nan 4.420 nan 0.000 0.264 1265 P C 0.080 177.195 177.300 -0.307 0.000 1.183 1265 P CA 0.129 63.058 63.100 -0.285 0.000 0.763 1265 P CB 0.468 32.065 31.700 -0.173 0.000 0.807 1266 K N 4.969 125.233 120.400 -0.226 0.000 2.074 1266 K HA -0.181 4.141 4.320 0.004 0.000 0.209 1266 K C -0.922 175.592 176.600 -0.142 0.000 1.048 1266 K CA 2.087 58.258 56.287 -0.193 0.000 0.926 1266 K CB -1.334 31.102 32.500 -0.107 0.000 0.713 1266 K HN 0.381 nan 8.250 nan 0.000 0.444 1267 P HA -0.150 nan 4.420 nan 0.000 0.216 1267 P C 1.108 178.358 177.300 -0.082 0.000 1.150 1267 P CA 1.184 64.244 63.100 -0.067 0.000 0.837 1267 P CB 0.065 31.733 31.700 -0.054 0.000 0.786 1268 L N -1.164 119.967 121.223 -0.153 0.000 2.156 1268 L HA -0.159 4.184 4.340 0.004 0.000 0.208 1268 L C 2.538 179.303 176.870 -0.175 0.000 1.095 1268 L CA 1.325 56.056 54.840 -0.181 0.000 0.770 1268 L CB -0.808 41.073 42.059 -0.296 0.000 0.914 1268 L HN 0.049 nan 8.230 nan 0.000 0.439 1269 Q N -0.229 119.396 119.800 -0.292 0.000 2.020 1269 Q HA -0.201 4.141 4.340 0.004 0.000 0.202 1269 Q C 2.132 178.230 176.000 0.163 0.000 0.982 1269 Q CA 1.225 56.834 55.803 -0.323 0.000 0.838 1269 Q CB -0.066 28.311 28.738 -0.602 0.000 0.899 1269 Q HN 0.375 nan 8.270 nan 0.000 0.423 1270 E N 0.850 121.109 120.200 0.098 0.000 2.085 1270 E HA -0.170 4.182 4.350 0.004 0.000 0.194 1270 E C 1.933 178.633 176.600 0.166 0.000 0.994 1270 E CA 1.087 57.585 56.400 0.164 0.000 0.801 1270 E CB -0.156 29.601 29.700 0.095 0.000 0.743 1270 E HN 0.261 nan 8.360 nan 0.000 0.453 1271 R N -0.589 119.979 120.500 0.112 0.000 2.092 1271 R HA -0.081 4.261 4.340 0.004 0.000 0.231 1271 R C 2.216 178.609 176.300 0.155 0.000 1.119 1271 R CA 0.985 57.142 56.100 0.095 0.000 0.970 1271 R CB -0.325 29.996 30.300 0.036 0.000 0.864 1271 R HN 0.118 nan 8.270 nan 0.000 0.440 1272 F N 0.876 120.881 119.950 0.091 0.000 2.206 1272 F HA -0.065 4.464 4.527 0.004 0.000 0.298 1272 F C 1.812 177.752 175.800 0.233 0.000 1.090 1272 F CA 1.133 59.228 58.000 0.159 0.000 1.323 1272 F CB -0.014 39.149 39.000 0.272 0.000 1.028 1272 F HN -0.095 nan 8.300 nan 0.000 0.492 1273 I N -0.051 120.745 120.570 0.378 0.000 2.179 1273 I HA -0.323 3.849 4.170 0.004 0.000 0.242 1273 I C 2.671 178.876 176.117 0.145 0.000 1.088 1273 I CA 1.277 62.740 61.300 0.272 0.000 1.357 1273 I CB -0.866 37.357 38.000 0.371 0.000 1.051 1273 I HN 0.194 nan 8.210 nan 0.000 0.409 1274 A N 0.672 123.578 122.820 0.144 0.000 1.902 1274 A HA -0.187 4.136 4.320 0.004 0.000 0.217 1274 A C 2.539 180.170 177.584 0.079 0.000 1.181 1274 A CA 1.880 53.986 52.037 0.114 0.000 0.623 1274 A CB -0.877 18.173 19.000 0.083 0.000 0.818 1274 A HN 0.444 nan 8.150 nan 0.000 0.443 1275 A N -0.615 122.213 122.820 0.013 0.000 1.908 1275 A HA -0.043 4.279 4.320 0.004 0.000 0.218 1275 A C 2.237 179.868 177.584 0.078 0.000 1.181 1275 A CA 1.914 53.955 52.037 0.007 0.000 0.627 1275 A CB -0.942 17.975 19.000 -0.137 0.000 0.818 1275 A HN 0.412 nan 8.150 nan 0.000 0.445 1276 V N -0.845 118.975 119.914 -0.155 0.000 2.427 1276 V HA -0.267 3.856 4.120 0.004 0.000 0.248 1276 V C 2.368 178.482 176.094 0.034 0.000 1.051 1276 V CA 2.244 64.399 62.300 -0.242 0.000 1.048 1276 V CB -0.962 30.605 31.823 -0.426 0.000 0.666 1276 V HN 0.814 nan 8.190 nan 0.000 0.456 1277 H N -0.330 118.734 119.070 -0.010 0.000 2.389 1277 H HA -0.189 4.369 4.556 0.003 0.000 0.299 1277 H C 2.477 177.874 175.328 0.116 0.000 1.081 1277 H CA 1.584 57.651 56.048 0.031 0.000 1.345 1277 H CB 0.360 30.114 29.762 -0.013 0.000 1.393 1277 H HN 0.554 nan 8.280 nan 0.000 0.520 1278 E N -0.125 120.215 120.200 0.233 0.000 2.047 1278 E HA -0.251 4.101 4.350 0.004 0.000 0.191 1278 E C 1.947 178.713 176.600 0.275 0.000 0.987 1278 E CA 1.123 57.648 56.400 0.208 0.000 0.799 1278 E CB -0.285 29.507 29.700 0.153 0.000 0.752 1278 E HN 0.557 nan 8.360 nan 0.000 0.449 1279 Y N 1.305 121.682 120.300 0.128 0.000 2.256 1279 Y HA -0.220 4.333 4.550 0.004 0.000 0.288 1279 Y C 2.544 178.496 175.900 0.088 0.000 1.155 1279 Y CA 1.721 59.879 58.100 0.097 0.000 1.203 1279 Y CB -0.731 37.636 38.460 -0.156 0.000 0.980 1279 Y HN 0.098 nan 8.280 nan 0.000 0.530 1280 S N -0.558 115.103 115.700 -0.066 0.000 2.365 1280 S HA -0.282 4.190 4.470 0.004 0.000 0.225 1280 S C 1.749 176.169 174.600 -0.301 0.000 1.039 1280 S CA 2.077 60.112 58.200 -0.275 0.000 1.033 1280 S CB -0.721 62.324 63.200 -0.260 0.000 0.887 1280 S HN 0.669 nan 8.310 nan 0.000 0.447 1281 W N 0.638 121.977 121.300 0.064 0.000 2.576 1281 W HA 0.281 4.943 4.660 0.003 0.000 0.270 1281 W C 2.102 178.689 176.519 0.114 0.000 1.255 1281 W CA -0.429 56.980 57.345 0.106 0.000 1.314 1281 W CB -0.122 29.372 29.460 0.057 0.000 1.101 1281 W HN 0.252 nan 8.180 nan 0.000 0.595 1282 I N 0.011 120.729 120.570 0.245 0.000 2.226 1282 I HA -0.314 3.858 4.170 0.004 0.000 0.245 1282 I C 2.452 178.619 176.117 0.084 0.000 1.100 1282 I CA 1.802 63.209 61.300 0.178 0.000 1.374 1282 I CB -1.717 36.414 38.000 0.218 0.000 1.057 1282 I HN 0.228 nan 8.210 nan 0.000 0.413 1283 H N 0.043 118.979 119.070 -0.223 0.000 2.326 1283 H HA -0.267 4.292 4.556 0.004 0.000 0.301 1283 H C 2.382 177.673 175.328 -0.062 0.000 1.081 1283 H CA 2.071 57.948 56.048 -0.286 0.000 1.334 1283 H CB -0.322 28.994 29.762 -0.743 0.000 1.385 1283 H HN 0.286 nan 8.280 nan 0.000 0.504 1284 Y N 1.218 121.469 120.300 -0.083 0.000 2.128 1284 Y HA -0.240 4.311 4.550 0.003 0.000 0.284 1284 Y C 2.738 178.631 175.900 -0.013 0.000 1.154 1284 Y CA 2.181 60.246 58.100 -0.058 0.000 1.149 1284 Y CB -0.693 37.733 38.460 -0.056 0.000 0.976 1284 Y HN 0.292 nan 8.280 nan 0.000 0.505 1285 A N -0.051 122.850 122.820 0.135 0.000 1.933 1285 A HA -0.080 4.243 4.320 0.004 0.000 0.218 1285 A C 2.458 179.996 177.584 -0.078 0.000 1.175 1285 A CA 1.652 53.728 52.037 0.065 0.000 0.628 1285 A CB -1.655 17.454 19.000 0.181 0.000 0.814 1285 A HN 0.601 nan 8.150 nan 0.000 0.444 1286 G N -0.211 108.531 108.800 -0.096 0.000 2.408 1286 G HA2 -0.099 3.864 3.960 0.004 0.000 0.217 1286 G HA3 -0.099 3.864 3.960 0.004 0.000 0.217 1286 G C 1.403 176.180 174.900 -0.204 0.000 1.150 1286 G CA 0.990 46.018 45.100 -0.120 0.000 0.776 1286 G HN 0.355 nan 8.290 nan 0.000 0.542 1287 I N 0.722 121.105 120.570 -0.312 0.000 2.202 1287 I HA -0.107 4.065 4.170 0.004 0.000 0.242 1287 I C 2.822 178.769 176.117 -0.284 0.000 1.091 1287 I CA 1.004 62.110 61.300 -0.323 0.000 1.368 1287 I CB -0.864 36.925 38.000 -0.352 0.000 1.058 1287 I HN 0.189 nan 8.210 nan 0.000 0.410 1288 Q N 0.656 120.244 119.800 -0.354 0.000 2.124 1288 Q HA -0.219 4.123 4.340 0.004 0.000 0.202 1288 Q C 2.157 178.079 176.000 -0.130 0.000 0.977 1288 Q CA 1.371 57.016 55.803 -0.265 0.000 0.850 1288 Q CB -0.494 28.050 28.738 -0.323 0.000 0.901 1288 Q HN 0.517 nan 8.270 nan 0.000 0.429 1289 K N 0.436 120.767 120.400 -0.115 0.000 2.002 1289 K HA -0.104 4.219 4.320 0.004 0.000 0.209 1289 K C 2.013 178.563 176.600 -0.084 0.000 1.048 1289 K CA 1.320 57.566 56.287 -0.069 0.000 0.930 1289 K CB -0.128 32.338 32.500 -0.056 0.000 0.714 1289 K HN 0.116 nan 8.250 nan 0.000 0.438 1290 A N 1.565 124.313 122.820 -0.121 0.000 1.940 1290 A HA -0.202 4.120 4.320 0.004 0.000 0.219 1290 A C 1.804 179.294 177.584 -0.156 0.000 1.176 1290 A CA 1.860 53.813 52.037 -0.140 0.000 0.631 1290 A CB -0.691 18.210 19.000 -0.165 0.000 0.814 1290 A HN 0.425 nan 8.150 nan 0.000 0.446 1291 N N 0.136 118.747 118.700 -0.149 0.000 2.120 1291 N HA -0.093 4.649 4.740 0.004 0.000 0.188 1291 N C 1.614 177.079 175.510 -0.075 0.000 1.024 1291 N CA 1.303 54.253 53.050 -0.166 0.000 0.852 1291 N CB -0.524 37.904 38.487 -0.098 0.000 1.003 1291 N HN 0.525 nan 8.380 nan 0.000 0.424 1292 L N 1.143 122.383 121.223 0.028 0.000 2.042 1292 L HA -0.161 4.181 4.340 0.004 0.000 0.210 1292 L C 1.822 178.735 176.870 0.072 0.000 1.076 1292 L CA 1.299 56.213 54.840 0.123 0.000 0.749 1292 L CB -0.325 41.775 42.059 0.068 0.000 0.893 1292 L HN 0.226 nan 8.230 nan 0.000 0.432 1293 E N -0.313 119.866 120.200 -0.035 0.000 2.358 1293 E HA -0.090 4.262 4.350 0.004 0.000 0.195 1293 E C 2.123 178.617 176.600 -0.177 0.000 1.010 1293 E CA 0.726 57.074 56.400 -0.087 0.000 0.856 1293 E CB -0.013 29.620 29.700 -0.113 0.000 0.795 1293 E HN 0.491 nan 8.360 nan 0.000 0.504 1294 A N 0.302 122.977 122.820 -0.242 0.000 1.975 1294 A HA -0.068 4.254 4.320 0.004 0.000 0.215 1294 A C 1.559 178.986 177.584 -0.261 0.000 1.170 1294 A CA 0.222 52.006 52.037 -0.422 0.000 0.656 1294 A CB -0.732 17.998 19.000 -0.450 0.000 0.821 1294 A HN 0.319 nan 8.150 nan 0.000 0.449 1295 W N 0.501 121.824 121.300 0.039 0.000 2.321 1295 W HA -0.127 4.537 4.660 0.006 0.000 0.306 1295 W C -0.696 175.863 176.519 0.068 0.000 1.217 1295 W CA 1.476 58.905 57.345 0.140 0.000 1.257 1295 W CB -1.275 28.235 29.460 0.083 0.000 1.145 1295 W HN 0.324 nan 8.180 nan 0.000 0.509 1296 P HA -0.152 nan 4.420 nan 0.000 0.220 1296 P C 0.889 178.187 177.300 -0.003 0.000 1.148 1296 P CA 1.779 64.931 63.100 0.086 0.000 0.803 1296 P CB -0.090 31.627 31.700 0.028 0.000 0.782 1297 K N -1.615 118.684 120.400 -0.168 0.000 2.097 1297 K HA -0.118 4.204 4.320 0.004 0.000 0.205 1297 K C 2.024 178.501 176.600 -0.204 0.000 1.050 1297 K CA 1.250 57.324 56.287 -0.356 0.000 0.938 1297 K CB -0.500 31.422 32.500 -0.963 0.000 0.718 1297 K HN 0.233 nan 8.250 nan 0.000 0.442 1298 Y N 0.741 121.057 120.300 0.026 0.000 2.242 1298 Y HA -0.201 4.351 4.550 0.004 0.000 0.291 1298 Y C 2.625 178.612 175.900 0.144 0.000 1.137 1298 Y CA 1.098 59.294 58.100 0.160 0.000 1.181 1298 Y CB 0.001 38.603 38.460 0.237 0.000 0.989 1298 Y HN -0.016 nan 8.280 nan 0.000 0.527 1299 R N 0.920 121.582 120.500 0.269 0.000 2.083 1299 R HA -0.225 4.117 4.340 0.004 0.000 0.237 1299 R C 2.216 178.587 176.300 0.120 0.000 1.137 1299 R CA 2.044 58.250 56.100 0.177 0.000 0.951 1299 R CB -0.574 29.807 30.300 0.135 0.000 0.851 1299 R HN 0.402 nan 8.270 nan 0.000 0.434 1300 Q N -0.738 119.113 119.800 0.085 0.000 2.170 1300 Q HA -0.055 4.287 4.340 0.004 0.000 0.203 1300 Q C 1.244 177.294 176.000 0.084 0.000 0.976 1300 Q CA 1.449 57.289 55.803 0.062 0.000 0.858 1300 Q CB -0.110 28.644 28.738 0.027 0.000 0.907 1300 Q HN 0.491 nan 8.270 nan 0.000 0.433 1301 A N -0.335 122.558 122.820 0.121 0.000 2.259 1301 A HA 0.269 4.591 4.320 0.004 0.000 0.208 1301 A C 1.325 178.997 177.584 0.147 0.000 1.201 1301 A CA 0.706 52.840 52.037 0.161 0.000 0.824 1301 A CB -0.572 18.571 19.000 0.238 0.000 0.838 1301 A HN 0.578 nan 8.150 nan 0.000 0.485 1302 G N -1.200 107.670 108.800 0.116 0.000 2.168 1302 G HA2 -0.213 3.749 3.960 0.004 0.000 0.257 1302 G HA3 -0.213 3.749 3.960 0.004 0.000 0.257 1302 G C 0.172 175.108 174.900 0.061 0.000 0.997 1302 G CA 0.322 45.466 45.100 0.074 0.000 0.708 1302 G HN 0.759 nan 8.290 nan 0.000 0.520 1303 V N 0.717 120.716 119.914 0.143 0.000 2.461 1303 V HA 0.423 4.546 4.120 0.004 0.000 0.275 1303 V C 0.690 176.840 176.094 0.093 0.000 1.047 1303 V CA -0.079 62.298 62.300 0.128 0.000 0.955 1303 V CB 1.712 33.731 31.823 0.327 0.000 0.988 1303 V HN 0.488 nan 8.190 nan 0.000 0.471 1304 E N 4.435 124.638 120.200 0.005 0.000 2.197 1304 E HA 0.406 4.758 4.350 0.004 0.000 0.281 1304 E C -1.245 175.419 176.600 0.107 0.000 0.995 1304 E CA -0.632 55.804 56.400 0.061 0.000 0.808 1304 E CB 1.726 31.467 29.700 0.068 0.000 1.093 1304 E HN 0.465 nan 8.360 nan 0.000 0.394 1305 V N 6.974 126.941 119.914 0.088 0.000 2.353 1305 V HA 0.221 4.343 4.120 0.004 0.000 0.264 1305 V C 0.307 176.436 176.094 0.057 0.000 1.049 1305 V CA -0.322 62.016 62.300 0.063 0.000 0.896 1305 V CB 0.286 32.110 31.823 0.001 0.000 1.025 1305 V HN 0.659 nan 8.190 nan 0.000 0.475 1306 I N 6.184 126.801 120.570 0.078 0.000 2.365 1306 I HA 0.453 4.625 4.170 0.004 0.000 0.291 1306 I C 0.318 176.468 176.117 0.054 0.000 1.004 1306 I CA -0.456 60.883 61.300 0.066 0.000 1.311 1306 I CB 0.886 38.921 38.000 0.059 0.000 1.401 1306 I HN 0.391 nan 8.210 nan 0.000 0.491 1307 R N 6.853 127.381 120.500 0.047 0.000 2.343 1307 R HA 0.554 4.896 4.340 0.004 0.000 0.320 1307 R C -0.521 175.827 176.300 0.079 0.000 0.956 1307 R CA -0.833 55.300 56.100 0.054 0.000 0.836 1307 R CB 1.470 31.785 30.300 0.025 0.000 1.151 1307 R HN 0.566 nan 8.270 nan 0.000 0.450 1308 L N 0.960 122.257 121.223 0.124 0.000 2.479 1308 L HA 0.257 4.599 4.340 0.004 0.000 0.248 1308 L C 1.258 178.203 176.870 0.124 0.000 1.205 1308 L CA -0.158 54.779 54.840 0.163 0.000 0.817 1308 L CB 0.421 42.648 42.059 0.279 0.000 1.162 1308 L HN 0.651 nan 8.230 nan 0.000 0.486 1309 S N -1.146 114.630 115.700 0.127 0.000 2.722 1309 S HA 0.267 4.739 4.470 0.004 0.000 0.292 1309 S C 0.618 175.267 174.600 0.082 0.000 1.135 1309 S CA -0.875 57.376 58.200 0.085 0.000 1.003 1309 S CB 1.257 64.497 63.200 0.066 0.000 1.067 1309 S HN 0.545 nan 8.310 nan 0.000 0.546 1310 N N 0.918 119.646 118.700 0.047 0.000 2.223 1310 N HA -0.130 4.612 4.740 0.004 0.000 0.185 1310 N C 1.561 177.085 175.510 0.023 0.000 1.016 1310 N CA 1.508 54.577 53.050 0.031 0.000 0.863 1310 N CB -0.522 37.972 38.487 0.011 0.000 0.983 1310 N HN 0.874 nan 8.380 nan 0.000 0.429 1311 E N 1.567 121.778 120.200 0.018 0.000 2.051 1311 E HA -0.151 4.201 4.350 0.004 0.000 0.192 1311 E C 1.149 177.740 176.600 -0.014 0.000 0.991 1311 E CA 1.358 57.752 56.400 -0.010 0.000 0.799 1311 E CB -0.074 29.620 29.700 -0.009 0.000 0.748 1311 E HN 0.151 nan 8.360 nan 0.000 0.449 1312 D N -0.153 120.284 120.400 0.061 0.000 2.149 1312 D HA -0.144 4.498 4.640 0.004 0.000 0.198 1312 D C 2.025 178.431 176.300 0.176 0.000 0.990 1312 D CA 1.372 55.455 54.000 0.139 0.000 0.839 1312 D CB -0.121 40.852 40.800 0.289 0.000 0.948 1312 D HN 0.161 nan 8.370 nan 0.000 0.460 1313 V N 1.530 121.542 119.914 0.164 0.000 2.295 1313 V HA -0.231 3.891 4.120 0.004 0.000 0.246 1313 V C 2.461 178.593 176.094 0.064 0.000 1.049 1313 V CA 1.551 63.946 62.300 0.158 0.000 1.024 1313 V CB -0.373 31.496 31.823 0.076 0.000 0.648 1313 V HN 0.171 nan 8.190 nan 0.000 0.447 1314 R N 0.262 120.753 120.500 -0.016 0.000 2.120 1314 R HA -0.164 4.178 4.340 0.004 0.000 0.234 1314 R C 2.324 178.534 176.300 -0.151 0.000 1.123 1314 R CA 1.297 57.354 56.100 -0.072 0.000 0.975 1314 R CB -0.409 29.844 30.300 -0.079 0.000 0.866 1314 R HN 0.500 nan 8.270 nan 0.000 0.446 1315 K N 0.044 120.281 120.400 -0.271 0.000 2.057 1315 K HA -0.095 4.227 4.320 0.004 0.000 0.206 1315 K C 1.854 178.150 176.600 -0.506 0.000 1.050 1315 K CA 1.291 57.221 56.287 -0.594 0.000 0.935 1315 K CB -0.144 31.660 32.500 -1.161 0.000 0.715 1315 K HN 0.038 nan 8.250 nan 0.000 0.439 1316 F N 1.255 121.071 119.950 -0.222 0.000 2.146 1316 F HA -0.064 4.465 4.527 0.002 0.000 0.298 1316 F C 2.535 178.255 175.800 -0.133 0.000 1.096 1316 F CA 1.041 58.998 58.000 -0.071 0.000 1.275 1316 F CB -0.270 38.691 39.000 -0.064 0.000 1.008 1316 F HN -0.050 nan 8.300 nan 0.000 0.480 1317 R N 0.514 121.042 120.500 0.047 0.000 2.091 1317 R HA -0.170 4.172 4.340 0.004 0.000 0.238 1317 R C 2.333 178.555 176.300 -0.129 0.000 1.136 1317 R CA 1.585 57.653 56.100 -0.053 0.000 0.959 1317 R CB -0.136 30.131 30.300 -0.054 0.000 0.856 1317 R HN 0.198 nan 8.270 nan 0.000 0.437 1318 R N 0.048 120.472 120.500 -0.127 0.000 2.120 1318 R HA -0.109 4.233 4.340 0.004 0.000 0.234 1318 R C 2.309 178.536 176.300 -0.122 0.000 1.123 1318 R CA 1.269 57.286 56.100 -0.139 0.000 0.975 1318 R CB -0.236 29.975 30.300 -0.149 0.000 0.866 1318 R HN 0.310 nan 8.270 nan 0.000 0.446 1319 L N -0.215 120.961 121.223 -0.078 0.000 2.127 1319 L HA 0.014 4.356 4.340 0.004 0.000 0.203 1319 L C 2.701 179.536 176.870 -0.057 0.000 1.080 1319 L CA 0.816 55.643 54.840 -0.022 0.000 0.768 1319 L CB -0.565 41.543 42.059 0.083 0.000 0.924 1319 L HN 0.162 nan 8.230 nan 0.000 0.444 1320 A N 0.789 123.555 122.820 -0.090 0.000 1.858 1320 A HA -0.192 4.130 4.320 0.004 0.000 0.216 1320 A C 2.223 179.433 177.584 -0.623 0.000 1.190 1320 A CA 1.561 53.489 52.037 -0.183 0.000 0.617 1320 A CB -0.735 18.223 19.000 -0.070 0.000 0.827 1320 A HN 0.313 nan 8.150 nan 0.000 0.443 1321 I N -0.054 120.001 120.570 -0.857 0.000 2.194 1321 I HA -0.208 3.965 4.170 0.004 0.000 0.246 1321 I C -0.585 175.330 176.117 -0.335 0.000 1.093 1321 I CA 1.635 62.248 61.300 -1.146 0.000 1.355 1321 I CB -1.283 36.285 38.000 -0.719 0.000 1.046 1321 I HN 0.234 nan 8.210 nan 0.000 0.413 1322 P HA -0.120 nan 4.420 nan 0.000 0.217 1322 P C 1.866 179.243 177.300 0.128 0.000 1.150 1322 P CA 1.428 64.535 63.100 0.013 0.000 0.832 1322 P CB 0.003 31.676 31.700 -0.044 0.000 0.787 1323 I N -2.274 118.335 120.570 0.065 0.000 2.493 1323 I HA -0.204 3.969 4.170 0.004 0.000 0.254 1323 I C 1.892 178.183 176.117 0.291 0.000 1.160 1323 I CA 1.012 62.424 61.300 0.186 0.000 1.445 1323 I CB -0.594 37.503 38.000 0.162 0.000 1.086 1323 I HN 0.026 nan 8.210 nan 0.000 0.433 1324 W N 0.838 122.145 121.300 0.012 0.000 2.358 1324 W HA -0.160 4.501 4.660 0.002 0.000 0.303 1324 W C 2.379 178.602 176.519 -0.495 0.000 1.208 1324 W CA 0.820 57.970 57.345 -0.326 0.000 1.274 1324 W CB -1.564 27.626 29.460 -0.450 0.000 1.138 1324 W HN 0.097 nan 8.180 nan 0.000 0.515 1325 F N 0.729 120.651 119.950 -0.047 0.000 2.146 1325 F HA -0.148 4.381 4.527 0.003 0.000 0.298 1325 F C 2.310 178.116 175.800 0.009 0.000 1.096 1325 F CA 1.601 59.565 58.000 -0.061 0.000 1.275 1325 F CB -0.724 38.303 39.000 0.044 0.000 1.008 1325 F HN -0.201 nan 8.300 nan 0.000 0.480 1326 K N -0.916 119.622 120.400 0.231 0.000 2.032 1326 K HA -0.234 4.088 4.320 0.004 0.000 0.209 1326 K C 1.925 178.550 176.600 0.042 0.000 1.048 1326 K CA 1.991 58.342 56.287 0.107 0.000 0.927 1326 K CB -0.542 32.006 32.500 0.079 0.000 0.712 1326 K HN 0.276 nan 8.250 nan 0.000 0.441 1327 W N 0.651 121.966 121.300 0.024 0.000 2.418 1327 W HA -0.047 4.616 4.660 0.004 0.000 0.292 1327 W C 2.455 179.066 176.519 0.154 0.000 1.213 1327 W CA 1.145 58.523 57.345 0.056 0.000 1.283 1327 W CB -0.384 29.045 29.460 -0.052 0.000 1.119 1327 W HN 0.116 nan 8.180 nan 0.000 0.542 1328 A N 0.384 123.352 122.820 0.246 0.000 1.940 1328 A HA -0.223 4.100 4.320 0.004 0.000 0.219 1328 A C 1.780 179.370 177.584 0.010 0.000 1.176 1328 A CA 1.711 53.703 52.037 -0.074 0.000 0.631 1328 A CB -0.609 18.122 19.000 -0.448 0.000 0.814 1328 A HN 0.318 nan 8.150 nan 0.000 0.446 1329 K N -0.589 119.836 120.400 0.041 0.000 2.487 1329 K HA 0.174 4.496 4.320 0.004 0.000 0.192 1329 K C 1.617 178.218 176.600 0.001 0.000 1.027 1329 K CA 0.210 56.515 56.287 0.031 0.000 1.054 1329 K CB -0.130 32.400 32.500 0.048 0.000 0.824 1329 K HN 0.530 nan 8.250 nan 0.000 0.510 1330 M N 1.243 120.843 119.600 0.001 0.000 2.080 1330 M HA -0.162 4.320 4.480 0.004 0.000 0.260 1330 M C 0.407 176.702 176.300 -0.008 0.000 1.068 1330 M CA 1.542 56.818 55.300 -0.041 0.000 1.109 1330 M CB -0.535 32.026 32.600 -0.065 0.000 1.342 1330 M HN 0.252 nan 8.290 nan 0.000 0.405 1331 D N -1.902 118.515 120.400 0.028 0.000 2.759 1331 D HA 0.153 4.795 4.640 0.004 0.000 0.321 1331 D C 0.181 176.470 176.300 -0.018 0.000 1.267 1331 D CA -0.697 53.313 54.000 0.016 0.000 0.933 1331 D CB 0.320 41.155 40.800 0.059 0.000 1.431 1331 D HN 0.047 nan 8.370 nan 0.000 0.504 1332 K N -0.857 119.482 120.400 -0.102 0.000 2.148 1332 K HA -0.137 4.185 4.320 0.004 0.000 0.204 1332 K C 1.184 177.632 176.600 -0.254 0.000 1.050 1332 K CA 1.134 57.287 56.287 -0.223 0.000 0.942 1332 K CB -0.515 31.763 32.500 -0.370 0.000 0.724 1332 K HN 0.353 nan 8.250 nan 0.000 0.446 1333 Y N 2.427 122.737 120.300 0.017 0.000 2.243 1333 Y HA -0.103 4.449 4.550 0.003 0.000 0.293 1333 Y C 3.043 178.959 175.900 0.026 0.000 1.124 1333 Y CA 1.263 59.379 58.100 0.026 0.000 1.159 1333 Y CB -0.372 38.108 38.460 0.033 0.000 1.008 1333 Y HN 0.281 nan 8.280 nan 0.000 0.527 1334 S N 0.510 116.323 115.700 0.189 0.000 2.382 1334 S HA -0.249 4.223 4.470 0.004 0.000 0.228 1334 S C 2.109 176.622 174.600 -0.144 0.000 1.027 1334 S CA 1.295 59.553 58.200 0.097 0.000 0.991 1334 S CB -0.524 62.830 63.200 0.257 0.000 0.823 1334 S HN 0.475 nan 8.310 nan 0.000 0.469 1335 R N 1.418 121.885 120.500 -0.054 0.000 2.075 1335 R HA -0.073 4.270 4.340 0.004 0.000 0.232 1335 R C 2.487 178.748 176.300 -0.065 0.000 1.126 1335 R CA 1.634 57.698 56.100 -0.060 0.000 0.963 1335 R CB -0.367 29.916 30.300 -0.028 0.000 0.858 1335 R HN 0.725 nan 8.270 nan 0.000 0.435 1336 E N -0.141 120.035 120.200 -0.040 0.000 2.072 1336 E HA -0.161 4.191 4.350 0.004 0.000 0.191 1336 E C 1.780 178.387 176.600 0.011 0.000 0.985 1336 E CA 1.138 57.530 56.400 -0.013 0.000 0.801 1336 E CB -0.111 29.598 29.700 0.015 0.000 0.750 1336 E HN 0.457 nan 8.360 nan 0.000 0.452 1337 A N 0.690 123.524 122.820 0.024 0.000 1.858 1337 A HA -0.163 4.159 4.320 0.004 0.000 0.216 1337 A C 2.039 179.502 177.584 -0.203 0.000 1.190 1337 A CA 1.332 53.416 52.037 0.078 0.000 0.617 1337 A CB -0.967 18.100 19.000 0.112 0.000 0.827 1337 A HN 0.515 nan 8.150 nan 0.000 0.443 1338 F N 1.157 120.699 119.950 -0.680 0.000 2.171 1338 F HA -0.048 4.481 4.527 0.003 0.000 0.300 1338 F C 2.484 178.048 175.800 -0.394 0.000 1.090 1338 F CA 0.786 58.328 58.000 -0.762 0.000 1.293 1338 F CB -0.580 37.785 39.000 -1.059 0.000 1.013 1338 F HN 0.259 nan 8.300 nan 0.000 0.486 1339 A N 0.059 122.679 122.820 -0.332 0.000 1.873 1339 A HA -0.276 4.047 4.320 0.004 0.000 0.218 1339 A C 2.416 179.841 177.584 -0.264 0.000 1.193 1339 A CA 2.812 54.673 52.037 -0.293 0.000 0.629 1339 A CB -1.504 17.426 19.000 -0.117 0.000 0.826 1339 A HN 0.522 nan 8.150 nan 0.000 0.447 1340 S N -0.838 114.790 115.700 -0.120 0.000 2.414 1340 S HA -0.152 4.320 4.470 0.004 0.000 0.227 1340 S C 1.882 176.446 174.600 -0.060 0.000 1.022 1340 S CA 1.142 59.345 58.200 0.004 0.000 0.958 1340 S CB -0.439 62.888 63.200 0.212 0.000 0.797 1340 S HN 0.683 nan 8.310 nan 0.000 0.493 1341 Q N 0.308 119.913 119.800 -0.324 0.000 2.167 1341 Q HA 0.079 4.421 4.340 0.004 0.000 0.202 1341 Q C 2.135 177.871 176.000 -0.440 0.000 0.970 1341 Q CA 1.123 56.603 55.803 -0.538 0.000 0.855 1341 Q CB -0.353 27.918 28.738 -0.777 0.000 0.911 1341 Q HN 0.501 nan 8.270 nan 0.000 0.438 1342 L N 1.130 121.986 121.223 -0.612 0.000 2.027 1342 L HA -0.160 4.182 4.340 0.004 0.000 0.206 1342 L C 2.179 178.915 176.870 -0.223 0.000 1.074 1342 L CA 1.905 56.426 54.840 -0.532 0.000 0.745 1342 L CB -0.420 41.139 42.059 -0.833 0.000 0.898 1342 L HN 0.173 nan 8.230 nan 0.000 0.433 1343 E N -1.745 118.353 120.200 -0.169 0.000 2.110 1343 E HA -0.302 4.050 4.350 0.004 0.000 0.193 1343 E C 2.150 178.769 176.600 0.031 0.000 0.988 1343 E CA 1.259 57.628 56.400 -0.051 0.000 0.804 1343 E CB -0.329 29.348 29.700 -0.039 0.000 0.745 1343 E HN 0.613 nan 8.360 nan 0.000 0.458 1344 Y N 0.880 121.092 120.300 -0.146 0.000 2.163 1344 Y HA -0.112 4.441 4.550 0.004 0.000 0.288 1344 Y C 2.015 177.817 175.900 -0.162 0.000 1.136 1344 Y CA 1.523 59.538 58.100 -0.142 0.000 1.147 1344 Y CB -0.471 37.891 38.460 -0.165 0.000 0.987 1344 Y HN 0.047 nan 8.280 nan 0.000 0.509 1345 M N -0.066 119.406 119.600 -0.213 0.000 2.149 1345 M HA -0.262 4.221 4.480 0.004 0.000 0.261 1345 M C 2.084 178.362 176.300 -0.036 0.000 1.064 1345 M CA 1.893 57.055 55.300 -0.230 0.000 1.102 1345 M CB -0.283 32.249 32.600 -0.113 0.000 1.369 1345 M HN 0.139 nan 8.290 nan 0.000 0.408 1346 K N -0.211 120.192 120.400 0.004 0.000 2.057 1346 K HA -0.071 4.251 4.320 0.004 0.000 0.206 1346 K C 2.063 178.691 176.600 0.045 0.000 1.050 1346 K CA 1.290 57.604 56.287 0.045 0.000 0.935 1346 K CB -0.457 32.067 32.500 0.041 0.000 0.715 1346 K HN 0.442 nan 8.250 nan 0.000 0.439 1347 G N 1.965 110.794 108.800 0.048 0.000 2.432 1347 G HA2 -0.193 3.769 3.960 0.004 0.000 0.219 1347 G HA3 -0.193 3.769 3.960 0.004 0.000 0.219 1347 G C 1.344 176.279 174.900 0.058 0.000 1.135 1347 G CA 0.872 46.014 45.100 0.070 0.000 0.767 1347 G HN 0.457 nan 8.290 nan 0.000 0.550 1348 I N -3.242 117.332 120.570 0.005 0.000 3.889 1348 I HA 0.539 4.711 4.170 0.004 0.000 0.332 1348 I C 1.194 177.386 176.117 0.125 0.000 1.493 1348 I CA 0.042 61.346 61.300 0.007 0.000 1.158 1348 I CB 0.065 37.965 38.000 -0.166 0.000 1.117 1348 I HN 0.113 nan 8.210 nan 0.000 0.411 1349 G N 1.356 110.228 108.800 0.120 0.000 2.221 1349 G HA2 -0.336 3.626 3.960 0.004 0.000 0.265 1349 G HA3 -0.336 3.626 3.960 0.004 0.000 0.265 1349 G C 0.160 175.184 174.900 0.207 0.000 1.041 1349 G CA 0.539 45.722 45.100 0.139 0.000 0.807 1349 G HN 0.540 nan 8.290 nan 0.000 0.502 1350 Y N -0.716 119.567 120.300 -0.028 0.000 2.523 1350 Y HA 0.389 4.941 4.550 0.004 0.000 0.279 1350 Y C 1.605 177.546 175.900 0.068 0.000 1.139 1350 Y CA 0.535 58.630 58.100 -0.009 0.000 1.296 1350 Y CB 0.612 39.025 38.460 -0.079 0.000 1.045 1350 Y HN 0.764 nan 8.280 nan 0.000 0.538 1351 V N -2.919 117.114 119.914 0.198 0.000 3.087 1351 V HA 0.779 4.902 4.120 0.004 0.000 0.306 1351 V C -0.439 175.728 176.094 0.121 0.000 1.187 1351 V CA -0.673 61.736 62.300 0.182 0.000 0.999 1351 V CB 1.613 33.599 31.823 0.272 0.000 1.049 1351 V HN 0.006 nan 8.190 nan 0.000 0.431 1352 T N -1.921 112.691 114.554 0.096 0.000 2.924 1352 T HA 0.488 4.840 4.350 0.004 0.000 0.291 1352 T C 0.263 175.003 174.700 0.068 0.000 1.045 1352 T CA -0.312 61.828 62.100 0.067 0.000 1.015 1352 T CB 1.895 70.787 68.868 0.039 0.000 1.103 1352 T HN 0.700 nan 8.240 nan 0.000 0.496 1353 D N 0.903 121.335 120.400 0.053 0.000 2.218 1353 D HA -0.060 4.582 4.640 0.004 0.000 0.204 1353 D C 2.303 178.620 176.300 0.029 0.000 0.976 1353 D CA 1.688 55.717 54.000 0.048 0.000 0.853 1353 D CB -0.193 40.628 40.800 0.036 0.000 0.939 1353 D HN 0.908 nan 8.370 nan 0.000 0.481 1354 E N 2.103 122.315 120.200 0.019 0.000 2.031 1354 E HA -0.228 4.125 4.350 0.004 0.000 0.193 1354 E C 1.774 178.370 176.600 -0.007 0.000 0.994 1354 E CA 1.550 57.951 56.400 0.002 0.000 0.800 1354 E CB -1.106 28.593 29.700 -0.002 0.000 0.752 1354 E HN 0.679 nan 8.360 nan 0.000 0.447 1355 E N 0.132 120.332 120.200 0.000 0.000 2.409 1355 E HA 0.002 4.354 4.350 0.004 0.000 0.198 1355 E C 1.879 178.469 176.600 -0.017 0.000 1.024 1355 E CA 0.884 57.274 56.400 -0.017 0.000 0.861 1355 E CB -0.209 29.482 29.700 -0.016 0.000 0.788 1355 E HN 0.527 nan 8.360 nan 0.000 0.521 1356 L N 0.640 121.872 121.223 0.015 0.000 2.592 1356 L HA 0.129 4.471 4.340 0.004 0.000 0.227 1356 L C 1.320 178.153 176.870 -0.063 0.000 1.127 1356 L CA 0.051 54.897 54.840 0.010 0.000 0.884 1356 L CB -0.284 41.843 42.059 0.113 0.000 1.065 1356 L HN 0.051 nan 8.230 nan 0.000 0.457 1357 K N 1.193 121.563 120.400 -0.050 0.000 2.437 1357 K HA 0.303 4.625 4.320 0.004 0.000 0.277 1357 K C 1.249 177.793 176.600 -0.094 0.000 1.073 1357 K CA 0.621 56.874 56.287 -0.057 0.000 1.105 1357 K CB -0.940 31.534 32.500 -0.044 0.000 0.881 1357 K HN 0.507 nan 8.250 nan 0.000 0.475 1358 G N 0.724 109.467 108.800 -0.095 0.000 2.141 1358 G HA2 -0.168 3.794 3.960 0.004 0.000 0.242 1358 G HA3 -0.168 3.794 3.960 0.004 0.000 0.242 1358 G C -0.028 174.759 174.900 -0.188 0.000 0.982 1358 G CA 0.262 45.295 45.100 -0.113 0.000 0.662 1358 G HN 0.846 nan 8.290 nan 0.000 0.527 1359 L N 0.981 122.042 121.223 -0.270 0.000 2.385 1359 L HA 0.782 5.125 4.340 0.004 0.000 0.273 1359 L C 0.302 176.948 176.870 -0.375 0.000 0.990 1359 L CA -0.143 54.363 54.840 -0.557 0.000 0.821 1359 L CB 2.320 43.732 42.059 -1.078 0.000 1.279 1359 L HN 0.538 nan 8.230 nan 0.000 0.412 1360 S N 0.000 115.591 115.700 -0.181 0.000 2.498 1360 S HA 0.000 4.472 4.470 0.004 0.000 0.327 1360 S CA 0.000 58.301 58.200 0.168 0.000 1.107 1360 S CB 0.000 63.249 63.200 0.082 0.000 0.593 1360 S HN 0.000 nan 8.310 nan 0.000 0.517