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 1pj3_1_B DATA FIRST_RESID 1021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 1021 I HA 0.000 nan 4.170 nan 0.000 0.288 1021 I C 0.000 176.136 176.117 0.031 0.000 1.063 1021 I CA 0.000 61.327 61.300 0.045 0.000 1.566 1021 I CB 0.000 38.033 38.000 0.055 0.000 1.214 1022 K N 1.943 122.356 120.400 0.022 0.000 2.361 1022 K HA 0.307 4.626 4.320 -0.001 0.000 0.194 1022 K C 0.314 176.917 176.600 0.005 0.000 1.032 1022 K CA 0.265 56.559 56.287 0.013 0.000 1.048 1022 K CB 0.614 33.121 32.500 0.010 0.000 0.842 1022 K HN 0.583 nan 8.250 nan 0.000 0.526 1023 E N 1.723 121.927 120.200 0.006 0.000 2.283 1023 E HA 0.198 4.547 4.350 -0.001 0.000 0.267 1023 E C -0.136 176.458 176.600 -0.011 0.000 1.045 1023 E CA -0.127 56.271 56.400 -0.003 0.000 0.884 1023 E CB 1.597 31.296 29.700 -0.001 0.000 1.106 1023 E HN 0.103 nan 8.360 nan 0.000 0.408 1024 K N -1.300 119.083 120.400 -0.029 0.000 2.533 1024 K HA 0.696 5.015 4.320 -0.001 0.000 0.272 1024 K C 0.118 176.678 176.600 -0.066 0.000 0.985 1024 K CA -0.537 55.719 56.287 -0.052 0.000 0.876 1024 K CB 1.510 33.981 32.500 -0.049 0.000 1.452 1024 K HN 0.612 nan 8.250 nan 0.000 0.439 1025 G N 1.432 110.172 108.800 -0.100 0.000 2.693 1025 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.226 1025 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.226 1025 G C 0.392 175.232 174.900 -0.099 0.000 1.354 1025 G CA 0.445 45.485 45.100 -0.099 0.000 0.873 1025 G HN 0.847 nan 8.290 nan 0.000 0.562 1026 K N 0.862 121.216 120.400 -0.077 0.000 2.144 1026 K HA -0.101 4.218 4.320 -0.001 0.000 0.209 1026 K C 0.173 176.751 176.600 -0.037 0.000 1.047 1026 K CA 2.875 59.128 56.287 -0.057 0.000 0.927 1026 K CB -1.242 31.233 32.500 -0.041 0.000 0.716 1026 K HN 0.337 nan 8.250 nan 0.000 0.454 1027 P HA -0.135 nan 4.420 nan 0.000 0.219 1027 P C 0.137 177.438 177.300 0.002 0.000 1.146 1027 P CA 0.892 63.982 63.100 -0.017 0.000 0.808 1027 P CB 0.056 31.744 31.700 -0.020 0.000 0.779 1031 N N 3.221 121.930 118.700 0.015 0.000 2.420 1031 N HA 0.216 4.955 4.740 -0.001 0.000 0.249 1031 N C -1.626 173.895 175.510 0.019 0.000 1.033 1031 N CA -1.956 51.096 53.050 0.002 0.000 0.944 1031 N CB 1.594 40.083 38.487 0.004 0.000 1.113 1031 N HN -0.036 nan 8.380 nan 0.000 0.502 1032 P HA -0.167 nan 4.420 nan 0.000 0.219 1032 P C 1.083 178.406 177.300 0.037 0.000 1.146 1032 P CA 0.827 63.928 63.100 0.001 0.000 0.808 1032 P CB 0.584 32.253 31.700 -0.050 0.000 0.779 1033 R N 0.629 121.148 120.500 0.032 0.000 2.096 1033 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 1033 R C 2.203 178.567 176.300 0.108 0.000 1.127 1033 R CA 2.396 58.536 56.100 0.066 0.000 0.968 1033 R CB -1.193 29.124 30.300 0.029 0.000 0.861 1033 R HN 0.316 nan 8.270 nan 0.000 0.440 1034 T N -3.560 111.051 114.554 0.096 0.000 2.990 1034 T HA 0.148 4.497 4.350 -0.001 0.000 0.249 1034 T C 0.579 175.339 174.700 0.099 0.000 1.039 1034 T CA -0.310 61.861 62.100 0.119 0.000 1.036 1034 T CB -0.300 68.653 68.868 0.141 0.000 0.994 1034 T HN 0.051 nan 8.240 nan 0.000 0.489 1035 N N 2.021 120.783 118.700 0.103 0.000 2.412 1035 N HA 0.076 4.815 4.740 -0.001 0.000 0.258 1035 N C 0.448 175.853 175.510 -0.175 0.000 1.236 1035 N CA 0.402 53.497 53.050 0.074 0.000 0.882 1035 N CB 0.592 39.139 38.487 0.100 0.000 1.066 1035 N HN 0.356 nan 8.380 nan 0.000 0.465 1036 K N 1.954 121.967 120.400 -0.645 0.000 2.402 1036 K HA 0.239 4.558 4.320 -0.001 0.000 0.204 1036 K C 0.689 177.016 176.600 -0.455 0.000 1.056 1036 K CA 0.082 55.857 56.287 -0.852 0.000 1.069 1036 K CB 0.359 31.839 32.500 -1.701 0.000 0.888 1036 K HN 0.804 nan 8.250 nan 0.000 0.546 1040 F N 3.229 123.052 119.950 -0.212 0.000 2.578 1040 F HA 0.312 4.839 4.527 -0.001 0.000 0.381 1040 F C 1.742 177.481 175.800 -0.101 0.000 1.069 1040 F CA 1.315 59.220 58.000 -0.159 0.000 1.231 1040 F CB 0.898 39.831 39.000 -0.112 0.000 1.086 1040 F HN 0.305 nan 8.300 nan 0.000 0.564 1041 T N 1.747 116.368 114.554 0.110 0.000 2.813 1041 T HA 0.057 4.406 4.350 -0.001 0.000 0.297 1041 T C 1.073 175.807 174.700 0.056 0.000 1.036 1041 T CA -0.915 61.220 62.100 0.058 0.000 1.044 1041 T CB 0.928 69.819 68.868 0.038 0.000 0.993 1041 T HN 0.571 nan 8.240 nan 0.000 0.535 1042 L N 0.655 121.896 121.223 0.030 0.000 2.012 1042 L HA -0.071 4.268 4.340 -0.001 0.000 0.210 1042 L C 2.900 179.773 176.870 0.005 0.000 1.073 1042 L CA 1.904 56.752 54.840 0.014 0.000 0.748 1042 L CB -1.156 40.907 42.059 0.008 0.000 0.891 1042 L HN 0.915 nan 8.230 nan 0.000 0.431 1043 Q N -0.777 119.029 119.800 0.011 0.000 2.084 1043 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 1043 Q C 2.100 178.102 176.000 0.002 0.000 0.978 1043 Q CA 2.040 57.846 55.803 0.005 0.000 0.844 1043 Q CB -0.034 28.711 28.738 0.011 0.000 0.898 1043 Q HN 0.649 nan 8.270 nan 0.000 0.426 1044 E N -0.198 120.016 120.200 0.023 0.000 2.077 1044 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 1044 E C 2.081 178.648 176.600 -0.056 0.000 0.989 1044 E CA 0.894 57.310 56.400 0.026 0.000 0.800 1044 E CB -0.001 29.780 29.700 0.135 0.000 0.746 1044 E HN 0.276 nan 8.360 nan 0.000 0.452 1045 R N 1.012 121.472 120.500 -0.067 0.000 2.073 1045 R HA -0.075 4.264 4.340 -0.001 0.000 0.234 1045 R C 1.337 177.573 176.300 -0.107 0.000 1.134 1045 R CA 0.854 56.869 56.100 -0.141 0.000 0.952 1045 R CB -0.237 30.006 30.300 -0.094 0.000 0.850 1045 R HN 0.249 nan 8.270 nan 0.000 0.433 1049 G N 1.308 110.040 108.800 -0.113 0.000 2.225 1049 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.264 1049 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.264 1049 G C 0.401 175.219 174.900 -0.137 0.000 1.060 1049 G CA 0.684 45.721 45.100 -0.106 0.000 0.833 1049 G HN 0.332 nan 8.290 nan 0.000 0.498 1050 L N -1.268 119.848 121.223 -0.178 0.000 2.609 1050 L HA 0.279 4.618 4.340 -0.001 0.000 0.230 1050 L C 1.440 178.225 176.870 -0.142 0.000 1.087 1050 L CA -0.159 54.552 54.840 -0.214 0.000 0.874 1050 L CB 0.090 41.907 42.059 -0.403 0.000 1.114 1050 L HN 0.303 nan 8.230 nan 0.000 0.488 1051 Q N 1.426 121.161 119.800 -0.108 0.000 2.320 1051 Q HA 0.180 4.519 4.340 -0.001 0.000 0.311 1051 Q C 1.139 177.105 176.000 -0.056 0.000 1.083 1051 Q CA 1.515 57.276 55.803 -0.070 0.000 1.001 1051 Q CB 0.339 29.044 28.738 -0.055 0.000 1.074 1051 Q HN 0.399 nan 8.270 nan 0.000 0.379 1052 G N 3.088 111.862 108.800 -0.043 0.000 2.268 1052 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.240 1052 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.240 1052 G C 0.509 175.389 174.900 -0.033 0.000 1.010 1052 G CA 0.278 45.358 45.100 -0.033 0.000 0.618 1052 G HN 0.579 nan 8.290 nan 0.000 0.516 1053 L N 0.176 121.371 121.223 -0.047 0.000 2.558 1053 L HA 0.464 4.803 4.340 -0.001 0.000 0.225 1053 L C 1.027 177.882 176.870 -0.025 0.000 1.128 1053 L CA 0.377 55.191 54.840 -0.042 0.000 0.868 1053 L CB 0.012 42.032 42.059 -0.065 0.000 1.006 1053 L HN 0.201 nan 8.230 nan 0.000 0.454 1054 L N -1.038 120.173 121.223 -0.020 0.000 2.323 1054 L HA 0.492 4.831 4.340 -0.001 0.000 0.265 1054 L C -2.238 174.637 176.870 0.008 0.000 1.012 1054 L CA -1.961 52.883 54.840 0.007 0.000 0.820 1054 L CB 1.565 43.640 42.059 0.026 0.000 1.334 1054 L HN -0.250 nan 8.230 nan 0.000 0.427 1055 P HA 0.136 nan 4.420 nan 0.000 0.269 1055 P C -2.139 175.169 177.300 0.014 0.000 1.215 1055 P CA -0.899 62.210 63.100 0.015 0.000 0.780 1055 P CB 0.099 31.811 31.700 0.020 0.000 0.898 1056 P HA -0.147 nan 4.420 nan 0.000 0.219 1056 P C 0.126 177.434 177.300 0.013 0.000 1.146 1056 P CA 1.265 64.370 63.100 0.008 0.000 0.808 1056 P CB 0.039 31.742 31.700 0.005 0.000 0.779 1057 K N 0.950 121.360 120.400 0.017 0.000 2.448 1057 K HA 0.098 4.417 4.320 -0.001 0.000 0.278 1057 K C -0.424 176.191 176.600 0.025 0.000 1.009 1057 K CA 0.508 56.807 56.287 0.020 0.000 0.995 1057 K CB -0.420 32.093 32.500 0.022 0.000 0.917 1057 K HN -0.018 nan 8.250 nan 0.000 0.481 1058 I N 4.585 125.168 120.570 0.023 0.000 2.362 1058 I HA 0.234 4.403 4.170 -0.001 0.000 0.289 1058 I C 0.092 176.222 176.117 0.023 0.000 0.994 1058 I CA -0.601 60.713 61.300 0.023 0.000 1.158 1058 I CB 1.542 39.554 38.000 0.021 0.000 1.315 1058 I HN 0.690 nan 8.210 nan 0.000 0.451 1059 E N 3.644 123.856 120.200 0.021 0.000 2.264 1059 E HA 0.522 4.871 4.350 -0.001 0.000 0.260 1059 E C -0.565 176.058 176.600 0.038 0.000 0.961 1059 E CA -0.841 55.578 56.400 0.031 0.000 0.834 1059 E CB 2.091 31.816 29.700 0.041 0.000 1.230 1059 E HN 0.593 nan 8.360 nan 0.000 0.412 1060 T N -2.381 112.208 114.554 0.059 0.000 2.952 1060 T HA 0.118 4.467 4.350 -0.001 0.000 0.286 1060 T C 0.871 175.647 174.700 0.127 0.000 1.024 1060 T CA -0.730 61.421 62.100 0.085 0.000 1.029 1060 T CB 1.744 70.648 68.868 0.061 0.000 1.094 1060 T HN 0.519 nan 8.240 nan 0.000 0.515 1061 Q N -0.147 119.759 119.800 0.178 0.000 2.226 1061 Q HA -0.170 4.170 4.340 -0.001 0.000 0.204 1061 Q C 1.065 177.098 176.000 0.056 0.000 0.975 1061 Q CA 1.590 57.476 55.803 0.139 0.000 0.866 1061 Q CB -0.135 28.565 28.738 -0.063 0.000 0.915 1061 Q HN 0.707 nan 8.270 nan 0.000 0.440 1062 D N 0.248 120.677 120.400 0.050 0.000 2.117 1062 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 1062 D C 1.732 178.074 176.300 0.071 0.000 0.987 1062 D CA 0.824 54.853 54.000 0.048 0.000 0.829 1062 D CB -0.013 40.809 40.800 0.036 0.000 0.961 1062 D HN 0.280 nan 8.370 nan 0.000 0.460 1063 I N 0.827 121.439 120.570 0.070 0.000 2.252 1063 I HA -0.184 3.985 4.170 -0.001 0.000 0.245 1063 I C 2.258 178.429 176.117 0.089 0.000 1.102 1063 I CA 1.059 62.403 61.300 0.074 0.000 1.385 1063 I CB -1.035 37.002 38.000 0.062 0.000 1.064 1063 I HN 0.100 nan 8.210 nan 0.000 0.414 1064 Q N 0.500 120.355 119.800 0.091 0.000 2.124 1064 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 1064 Q C 2.427 178.489 176.000 0.102 0.000 0.977 1064 Q CA 1.853 57.713 55.803 0.096 0.000 0.850 1064 Q CB -0.185 28.613 28.738 0.100 0.000 0.901 1064 Q HN 0.545 nan 8.270 nan 0.000 0.429 1065 A N 0.752 123.628 122.820 0.094 0.000 1.902 1065 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 1065 A C 2.039 179.777 177.584 0.256 0.000 1.181 1065 A CA 0.993 53.105 52.037 0.125 0.000 0.623 1065 A CB -0.700 18.386 19.000 0.143 0.000 0.818 1065 A HN 0.323 nan 8.150 nan 0.000 0.443 1066 L N -0.888 120.472 121.223 0.229 0.000 2.042 1066 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 1066 L C 2.845 179.824 176.870 0.182 0.000 1.076 1066 L CA 1.890 56.866 54.840 0.228 0.000 0.749 1066 L CB -0.375 41.763 42.059 0.133 0.000 0.893 1066 L HN 0.530 nan 8.230 nan 0.000 0.432 1067 R N -0.387 120.201 120.500 0.147 0.000 2.096 1067 R HA -0.275 4.065 4.340 -0.001 0.000 0.240 1067 R C 2.394 178.784 176.300 0.150 0.000 1.139 1067 R CA 2.199 58.376 56.100 0.127 0.000 0.952 1067 R CB -0.547 29.827 30.300 0.124 0.000 0.854 1067 R HN 0.267 nan 8.270 nan 0.000 0.436 1068 F N 1.109 121.071 119.950 0.020 0.000 2.046 1068 F HA -0.231 4.295 4.527 -0.002 0.000 0.297 1068 F C 1.911 177.711 175.800 0.000 0.000 1.123 1068 F CA 2.348 60.341 58.000 -0.012 0.000 1.199 1068 F CB -0.699 38.148 39.000 -0.255 0.000 0.972 1068 F HN 0.168 nan 8.300 nan 0.000 0.474 1069 H N -0.869 118.140 119.070 -0.102 0.000 2.387 1069 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 1069 H C 2.275 177.499 175.328 -0.174 0.000 1.099 1069 H CA 1.617 57.534 56.048 -0.218 0.000 1.315 1069 H CB -0.222 29.548 29.762 0.013 0.000 1.380 1069 H HN 0.098 nan 8.280 nan 0.000 0.513 1070 R N 0.642 121.156 120.500 0.024 0.000 2.083 1070 R HA -0.099 4.240 4.340 -0.001 0.000 0.237 1070 R C 1.902 178.162 176.300 -0.067 0.000 1.137 1070 R CA 1.493 57.592 56.100 -0.002 0.000 0.951 1070 R CB -0.142 30.171 30.300 0.022 0.000 0.851 1070 R HN 0.358 nan 8.270 nan 0.000 0.434 1071 N N -0.065 118.572 118.700 -0.105 0.000 2.216 1071 N HA -0.137 4.602 4.740 -0.001 0.000 0.183 1071 N C 1.589 176.962 175.510 -0.228 0.000 1.017 1071 N CA 0.850 53.794 53.050 -0.176 0.000 0.861 1071 N CB -0.273 38.076 38.487 -0.230 0.000 0.986 1071 N HN 0.116 nan 8.380 nan 0.000 0.428 1072 L N 1.908 122.968 121.223 -0.273 0.000 2.046 1072 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 1072 L C 2.113 178.908 176.870 -0.125 0.000 1.077 1072 L CA 1.647 56.346 54.840 -0.236 0.000 0.747 1072 L CB -0.405 41.354 42.059 -0.500 0.000 0.896 1072 L HN -0.080 nan 8.230 nan 0.000 0.432 1073 K N 0.397 120.736 120.400 -0.102 0.000 2.103 1073 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 1073 K C 0.891 177.463 176.600 -0.046 0.000 1.048 1073 K CA 1.120 57.378 56.287 -0.048 0.000 0.930 1073 K CB -0.088 32.394 32.500 -0.029 0.000 0.716 1073 K HN 0.398 nan 8.250 nan 0.000 0.444 1077 S N 2.820 118.533 115.700 0.021 0.000 2.610 1077 S HA 0.603 5.073 4.470 -0.001 0.000 0.273 1077 S C -1.991 172.640 174.600 0.051 0.000 1.274 1077 S CA -0.975 57.243 58.200 0.031 0.000 1.023 1077 S CB 1.373 64.588 63.200 0.025 0.000 0.962 1077 S HN 0.157 nan 8.310 nan 0.000 0.523 1078 P HA -0.072 nan 4.420 nan 0.000 0.215 1078 P C 1.583 178.952 177.300 0.114 0.000 1.153 1078 P CA 0.430 63.578 63.100 0.080 0.000 0.853 1078 P CB 0.005 31.738 31.700 0.056 0.000 0.788 1079 L N 0.161 121.430 121.223 0.076 0.000 2.083 1079 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 1079 L C 2.229 179.189 176.870 0.150 0.000 1.083 1079 L CA 1.868 56.760 54.840 0.087 0.000 0.752 1079 L CB -1.125 40.943 42.059 0.014 0.000 0.899 1079 L HN -0.038 nan 8.230 nan 0.000 0.433 1080 E N -0.589 119.676 120.200 0.108 0.000 2.106 1080 E HA -0.252 4.098 4.350 -0.001 0.000 0.192 1080 E C 2.033 178.734 176.600 0.168 0.000 0.984 1080 E CA 1.143 57.608 56.400 0.107 0.000 0.806 1080 E CB 0.035 29.766 29.700 0.052 0.000 0.750 1080 E HN 0.532 nan 8.360 nan 0.000 0.458 1081 K N -0.444 120.065 120.400 0.182 0.000 2.148 1081 K HA -0.171 4.148 4.320 -0.001 0.000 0.204 1081 K C 2.062 178.824 176.600 0.270 0.000 1.050 1081 K CA 1.255 57.684 56.287 0.237 0.000 0.942 1081 K CB -0.286 32.327 32.500 0.187 0.000 0.724 1081 K HN 0.232 nan 8.250 nan 0.000 0.446 1082 Y N 1.551 121.930 120.300 0.131 0.000 2.114 1082 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 1082 Y C 1.900 177.866 175.900 0.111 0.000 1.143 1082 Y CA 1.304 59.474 58.100 0.118 0.000 1.135 1082 Y CB -0.091 38.425 38.460 0.092 0.000 0.980 1082 Y HN -0.151 nan 8.280 nan 0.000 0.499 1083 I N -0.231 120.529 120.570 0.315 0.000 2.208 1083 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 1083 I C 2.200 178.392 176.117 0.125 0.000 1.097 1083 I CA 1.540 62.949 61.300 0.182 0.000 1.363 1083 I CB -1.319 36.779 38.000 0.164 0.000 1.051 1083 I HN 0.379 nan 8.210 nan 0.000 0.413 1084 Y N 1.200 121.525 120.300 0.042 0.000 2.133 1084 Y HA -0.034 4.516 4.550 -0.002 0.000 0.287 1084 Y C 1.680 177.625 175.900 0.075 0.000 1.134 1084 Y CA 0.499 58.633 58.100 0.056 0.000 1.133 1084 Y CB -0.485 38.024 38.460 0.082 0.000 0.987 1084 Y HN -0.040 nan 8.280 nan 0.000 0.502 1088 I N 1.524 121.965 120.570 -0.214 0.000 2.361 1088 I HA -0.189 3.980 4.170 -0.001 0.000 0.251 1088 I C 2.635 178.586 176.117 -0.277 0.000 1.133 1088 I CA 1.776 62.961 61.300 -0.191 0.000 1.413 1088 I CB -0.059 37.827 38.000 -0.189 0.000 1.073 1088 I HN 0.303 nan 8.210 nan 0.000 0.424 1089 Q N 1.031 120.461 119.800 -0.616 0.000 2.226 1089 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 1089 Q C 1.383 177.119 176.000 -0.440 0.000 0.975 1089 Q CA 1.213 56.463 55.803 -0.922 0.000 0.866 1089 Q CB 0.221 27.970 28.738 -1.648 0.000 0.915 1089 Q HN 0.441 nan 8.270 nan 0.000 0.440 1090 E N -0.405 119.605 120.200 -0.317 0.000 2.479 1090 E HA 0.049 4.398 4.350 -0.001 0.000 0.193 1090 E C 1.016 177.541 176.600 -0.126 0.000 1.049 1090 E CA 0.154 56.436 56.400 -0.196 0.000 0.870 1090 E CB 0.459 30.049 29.700 -0.183 0.000 0.944 1090 E HN 0.378 nan 8.360 nan 0.000 0.492 1091 R N -0.092 120.339 120.500 -0.114 0.000 2.215 1091 R HA 0.159 4.499 4.340 -0.001 0.000 0.190 1091 R C 0.537 176.825 176.300 -0.020 0.000 0.968 1091 R CA 0.069 56.137 56.100 -0.053 0.000 1.122 1091 R CB 0.519 30.796 30.300 -0.037 0.000 1.151 1091 R HN -0.125 nan 8.270 nan 0.000 0.582 1092 N N 1.192 119.878 118.700 -0.024 0.000 2.653 1092 N HA -0.004 4.735 4.740 -0.001 0.000 0.261 1092 N C -0.141 175.404 175.510 0.058 0.000 1.216 1092 N CA 0.055 53.126 53.050 0.036 0.000 0.784 1092 N CB 1.470 39.990 38.487 0.056 0.000 1.327 1092 N HN 0.112 nan 8.380 nan 0.000 0.539 1093 E N 2.066 122.318 120.200 0.085 0.000 2.070 1093 E HA -0.252 4.097 4.350 -0.001 0.000 0.197 1093 E C 0.920 177.729 176.600 0.348 0.000 1.004 1093 E CA 1.543 58.046 56.400 0.171 0.000 0.805 1093 E CB 0.351 30.170 29.700 0.198 0.000 0.744 1093 E HN 0.317 nan 8.360 nan 0.000 0.451 1094 K N 0.147 120.736 120.400 0.315 0.000 2.057 1094 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 1094 K C 2.020 178.635 176.600 0.025 0.000 1.049 1094 K CA 1.049 57.472 56.287 0.226 0.000 0.931 1094 K CB -0.408 32.106 32.500 0.023 0.000 0.714 1094 K HN 0.157 nan 8.250 nan 0.000 0.440 1095 L N 0.037 121.254 121.223 -0.010 0.000 2.093 1095 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 1095 L C 1.890 178.665 176.870 -0.159 0.000 1.085 1095 L CA 1.438 56.216 54.840 -0.104 0.000 0.755 1095 L CB -0.646 41.389 42.059 -0.041 0.000 0.904 1095 L HN 0.214 nan 8.230 nan 0.000 0.435 1096 F N -0.287 119.494 119.950 -0.281 0.000 2.069 1096 F HA -0.308 4.218 4.527 -0.001 0.000 0.298 1096 F C 2.081 177.597 175.800 -0.473 0.000 1.113 1096 F CA 1.998 59.717 58.000 -0.470 0.000 1.214 1096 F CB -0.800 37.870 39.000 -0.550 0.000 0.978 1096 F HN 0.157 nan 8.300 nan 0.000 0.474 1097 Y N -0.341 119.883 120.300 -0.127 0.000 2.373 1097 Y HA -0.137 4.412 4.550 -0.001 0.000 0.293 1097 Y C 2.514 178.297 175.900 -0.196 0.000 1.129 1097 Y CA 1.070 59.064 58.100 -0.178 0.000 1.226 1097 Y CB -0.454 38.139 38.460 0.221 0.000 1.000 1097 Y HN 0.035 nan 8.280 nan 0.000 0.549 1098 R N 0.803 121.246 120.500 -0.094 0.000 2.075 1098 R HA -0.116 4.224 4.340 -0.001 0.000 0.232 1098 R C 1.692 177.884 176.300 -0.181 0.000 1.126 1098 R CA 1.504 57.519 56.100 -0.141 0.000 0.963 1098 R CB -0.938 29.248 30.300 -0.190 0.000 0.858 1098 R HN 0.238 nan 8.270 nan 0.000 0.435 1099 I N 0.475 120.841 120.570 -0.339 0.000 2.252 1099 I HA -0.158 4.012 4.170 -0.001 0.000 0.245 1099 I C 2.012 177.940 176.117 -0.316 0.000 1.102 1099 I CA 1.166 62.193 61.300 -0.456 0.000 1.385 1099 I CB -0.315 37.052 38.000 -1.055 0.000 1.064 1099 I HN 0.175 nan 8.210 nan 0.000 0.414 1100 L N -0.714 120.269 121.223 -0.401 0.000 2.056 1100 L HA -0.226 4.113 4.340 -0.001 0.000 0.207 1100 L C 2.515 179.314 176.870 -0.118 0.000 1.078 1100 L CA 1.273 55.945 54.840 -0.279 0.000 0.749 1100 L CB -0.627 41.203 42.059 -0.382 0.000 0.901 1100 L HN 0.322 nan 8.230 nan 0.000 0.433 1101 Q N 0.144 119.888 119.800 -0.094 0.000 2.124 1101 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 1101 Q C 1.624 177.612 176.000 -0.021 0.000 0.977 1101 Q CA 1.743 57.520 55.803 -0.044 0.000 0.850 1101 Q CB 0.066 28.780 28.738 -0.039 0.000 0.901 1101 Q HN 0.424 nan 8.270 nan 0.000 0.429 1102 D N 0.487 120.890 120.400 0.006 0.000 2.228 1102 D HA -0.121 4.518 4.640 -0.001 0.000 0.203 1102 D C 0.088 176.412 176.300 0.040 0.000 0.988 1102 D CA 1.214 55.245 54.000 0.052 0.000 0.864 1102 D CB 0.107 41.024 40.800 0.195 0.000 0.928 1102 D HN 0.231 nan 8.370 nan 0.000 0.469 1103 D N -0.962 119.467 120.400 0.050 0.000 2.914 1103 D HA -0.029 4.610 4.640 -0.001 0.000 0.236 1103 D C 0.718 177.036 176.300 0.029 0.000 1.405 1103 D CA -0.303 53.721 54.000 0.039 0.000 0.900 1103 D CB -0.173 40.664 40.800 0.061 0.000 1.518 1103 D HN -0.129 nan 8.370 nan 0.000 0.548 1104 I N 1.962 122.530 120.570 -0.003 0.000 2.361 1104 I HA -0.124 4.046 4.170 -0.001 0.000 0.251 1104 I C 2.016 178.129 176.117 -0.005 0.000 1.133 1104 I CA 1.735 63.022 61.300 -0.022 0.000 1.413 1104 I CB 0.086 38.057 38.000 -0.049 0.000 1.073 1104 I HN 0.407 nan 8.210 nan 0.000 0.424 1105 E N -0.169 120.035 120.200 0.006 0.000 2.106 1105 E HA -0.209 4.140 4.350 -0.001 0.000 0.192 1105 E C 2.198 178.822 176.600 0.040 0.000 0.984 1105 E CA 1.485 57.897 56.400 0.020 0.000 0.806 1105 E CB -0.139 29.578 29.700 0.028 0.000 0.750 1105 E HN 0.651 nan 8.360 nan 0.000 0.458 1106 S N -0.221 115.508 115.700 0.048 0.000 2.461 1106 S HA 0.050 4.519 4.470 -0.001 0.000 0.228 1106 S C 1.107 175.754 174.600 0.078 0.000 1.005 1106 S CA -0.011 58.227 58.200 0.063 0.000 0.942 1106 S CB -0.139 63.102 63.200 0.069 0.000 0.776 1106 S HN 0.112 nan 8.310 nan 0.000 0.514 1110 I N 0.331 120.987 120.570 0.144 0.000 2.729 1110 I HA -0.035 4.134 4.170 -0.001 0.000 0.256 1110 I C 2.067 178.370 176.117 0.309 0.000 1.115 1110 I CA 1.026 62.445 61.300 0.198 0.000 1.446 1110 I CB -0.368 37.743 38.000 0.186 0.000 1.176 1110 I HN -0.049 nan 8.210 nan 0.000 0.446 1111 V N -2.585 117.485 119.914 0.260 0.000 2.951 1111 V HA -0.004 4.115 4.120 -0.001 0.000 0.255 1111 V C 1.227 177.553 176.094 0.386 0.000 1.088 1111 V CA 0.825 63.305 62.300 0.301 0.000 1.109 1111 V CB -0.813 31.107 31.823 0.163 0.000 0.724 1111 V HN 0.277 nan 8.190 nan 0.000 0.471 1112 Y N 0.725 121.113 120.300 0.146 0.000 3.114 1112 Y HA 0.607 5.156 4.550 -0.001 0.000 0.325 1112 Y C 0.932 176.877 175.900 0.075 0.000 1.397 1112 Y CA -0.873 57.295 58.100 0.113 0.000 1.008 1112 Y CB 0.953 39.466 38.460 0.088 0.000 1.338 1112 Y HN -0.011 nan 8.280 nan 0.000 0.730 1113 T N 3.954 118.209 114.554 -0.498 0.000 2.919 1113 T HA 0.198 4.547 4.350 -0.001 0.000 0.302 1113 T C -1.885 172.721 174.700 -0.158 0.000 1.031 1113 T CA -1.327 60.554 62.100 -0.366 0.000 1.127 1113 T CB 0.616 69.177 68.868 -0.512 0.000 0.952 1113 T HN 0.488 nan 8.240 nan 0.000 0.540 1114 P HA 0.115 nan 4.420 nan 0.000 0.252 1114 P C 1.220 178.468 177.300 -0.087 0.000 1.218 1114 P CA 0.286 63.311 63.100 -0.125 0.000 0.807 1114 P CB 0.157 31.788 31.700 -0.116 0.000 1.072 1115 T N 0.337 114.867 114.554 -0.039 0.000 2.833 1115 T HA -0.104 4.245 4.350 -0.001 0.000 0.269 1115 T C 1.851 176.488 174.700 -0.105 0.000 1.054 1115 T CA 1.000 63.078 62.100 -0.038 0.000 1.135 1115 T CB -1.018 67.881 68.868 0.052 0.000 0.869 1115 T HN -0.085 nan 8.240 nan 0.000 0.466 1116 V N 1.628 121.523 119.914 -0.031 0.000 2.469 1116 V HA -0.091 4.028 4.120 -0.001 0.000 0.251 1116 V C 2.522 178.544 176.094 -0.119 0.000 1.064 1116 V CA 2.192 64.469 62.300 -0.039 0.000 1.066 1116 V CB -1.047 30.844 31.823 0.113 0.000 0.667 1116 V HN 0.587 nan 8.190 nan 0.000 0.461 1117 G N -0.388 108.344 108.800 -0.112 0.000 2.418 1117 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 1117 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 1117 G C 1.494 176.330 174.900 -0.106 0.000 1.158 1117 G CA 1.077 46.115 45.100 -0.103 0.000 0.771 1117 G HN 0.510 nan 8.290 nan 0.000 0.545 1118 L N 1.306 122.454 121.223 -0.126 0.000 2.056 1118 L HA 0.236 4.575 4.340 -0.001 0.000 0.207 1118 L C 3.027 179.792 176.870 -0.174 0.000 1.078 1118 L CA 1.986 56.750 54.840 -0.127 0.000 0.749 1118 L CB -0.732 41.257 42.059 -0.116 0.000 0.901 1118 L HN 0.223 nan 8.230 nan 0.000 0.433 1119 A N -1.139 121.501 122.820 -0.300 0.000 1.877 1119 A HA -0.255 4.064 4.320 -0.001 0.000 0.216 1119 A C 2.415 179.948 177.584 -0.084 0.000 1.186 1119 A CA 1.920 53.738 52.037 -0.364 0.000 0.620 1119 A CB -1.531 16.898 19.000 -0.951 0.000 0.822 1119 A HN 0.614 nan 8.150 nan 0.000 0.443 1120 C N 0.145 119.385 119.300 -0.099 0.000 2.413 1120 C HA -0.124 4.335 4.460 -0.001 0.000 0.276 1120 C C 3.365 178.368 174.990 0.022 0.000 1.248 1120 C CA 1.613 60.580 59.018 -0.085 0.000 1.742 1120 C CB -1.326 26.347 27.740 -0.112 0.000 2.017 1120 C HN 0.802 nan 8.230 nan 0.000 0.481 1121 S N -0.272 115.433 115.700 0.008 0.000 2.474 1121 S HA -0.144 4.325 4.470 -0.001 0.000 0.235 1121 S C 1.310 175.915 174.600 0.009 0.000 0.997 1121 S CA 1.169 59.412 58.200 0.072 0.000 0.949 1121 S CB -0.453 62.752 63.200 0.008 0.000 0.766 1121 S HN 0.812 nan 8.310 nan 0.000 0.517 1122 Q N -1.361 118.362 119.800 -0.129 0.000 2.139 1122 Q HA 0.288 4.627 4.340 -0.001 0.000 0.219 1122 Q C 0.275 176.122 176.000 -0.255 0.000 0.805 1122 Q CA -0.398 55.248 55.803 -0.260 0.000 1.024 1122 Q CB 0.091 28.698 28.738 -0.218 0.000 1.163 1122 Q HN 0.486 nan 8.270 nan 0.000 0.485 1123 Y N 1.099 121.033 120.300 -0.609 0.000 2.096 1123 Y HA -0.269 4.280 4.550 -0.001 0.000 0.278 1123 Y C 2.239 177.908 175.900 -0.384 0.000 1.192 1123 Y CA 2.272 60.071 58.100 -0.501 0.000 1.143 1123 Y CB -0.374 37.810 38.460 -0.460 0.000 0.963 1123 Y HN 0.255 nan 8.280 nan 0.000 0.505 1124 G N -2.813 105.634 108.800 -0.588 0.000 2.598 1124 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.215 1124 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.215 1124 G C 1.015 175.932 174.900 0.028 0.000 1.131 1124 G CA 0.845 45.959 45.100 0.025 0.000 0.785 1124 G HN 0.470 nan 8.290 nan 0.000 0.539 1125 H N -0.088 118.878 119.070 -0.174 0.000 2.497 1125 H HA 0.163 4.718 4.556 -0.001 0.000 0.282 1125 H C 2.300 177.499 175.328 -0.215 0.000 1.003 1125 H CA 0.720 56.613 56.048 -0.259 0.000 1.307 1125 H CB 0.057 29.741 29.762 -0.130 0.000 1.437 1125 H HN 0.539 nan 8.280 nan 0.000 0.544 1126 I N -2.989 117.566 120.570 -0.026 0.000 3.928 1126 I HA 0.180 4.349 4.170 -0.001 0.000 0.335 1126 I C 0.024 176.087 176.117 -0.090 0.000 1.325 1126 I CA -0.437 60.831 61.300 -0.052 0.000 1.107 1126 I CB -0.159 37.826 38.000 -0.026 0.000 1.014 1126 I HN -0.138 nan 8.210 nan 0.000 0.400 1127 F N 3.194 123.000 119.950 -0.240 0.000 2.623 1127 F HA 0.128 4.654 4.527 -0.002 0.000 0.383 1127 F C 1.127 176.829 175.800 -0.163 0.000 1.077 1127 F CA 0.696 58.548 58.000 -0.247 0.000 1.268 1127 F CB 0.495 39.366 39.000 -0.215 0.000 1.053 1127 F HN 0.052 nan 8.300 nan 0.000 0.571 1128 R N 3.373 123.234 120.500 -1.065 0.000 2.622 1128 R HA 0.317 4.656 4.340 -0.001 0.000 0.180 1128 R C -0.243 175.458 176.300 -0.998 0.000 0.813 1128 R CA -0.453 55.194 56.100 -0.756 0.000 1.049 1128 R CB 0.587 30.657 30.300 -0.383 0.000 1.438 1128 R HN 0.495 nan 8.270 nan 0.000 0.636 1129 R N 1.286 121.179 120.500 -1.013 0.000 2.725 1129 R HA 0.390 4.730 4.340 -0.001 0.000 0.277 1129 R C -2.702 173.340 176.300 -0.429 0.000 0.987 1129 R CA -1.765 53.979 56.100 -0.594 0.000 0.901 1129 R CB 2.531 32.664 30.300 -0.278 0.000 1.207 1129 R HN 0.002 nan 8.270 nan 0.000 0.463 1130 P HA 0.278 nan 4.420 nan 0.000 0.278 1130 P C -1.392 176.063 177.300 0.259 0.000 1.258 1130 P CA -0.527 62.785 63.100 0.353 0.000 0.811 1130 P CB 1.125 33.099 31.700 0.455 0.000 1.063 1131 K N 0.339 120.952 120.400 0.354 0.000 2.482 1131 K HA 0.640 4.960 4.320 -0.001 0.000 0.251 1131 K C -0.176 176.526 176.600 0.169 0.000 0.936 1131 K CA -0.536 55.886 56.287 0.225 0.000 0.791 1131 K CB 1.937 34.516 32.500 0.132 0.000 1.213 1131 K HN 0.906 nan 8.250 nan 0.000 0.428 1132 G N 1.418 110.334 108.800 0.193 0.000 2.760 1132 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.246 1132 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.246 1132 G C -1.225 173.550 174.900 -0.207 0.000 1.359 1132 G CA -1.019 43.983 45.100 -0.163 0.000 0.861 1132 G HN 0.434 nan 8.290 nan 0.000 0.541 1133 L N -0.231 120.682 121.223 -0.517 0.000 2.289 1133 L HA 0.686 5.025 4.340 -0.001 0.000 0.285 1133 L C -0.422 176.191 176.870 -0.428 0.000 1.049 1133 L CA -0.659 54.002 54.840 -0.298 0.000 0.804 1133 L CB 1.008 42.870 42.059 -0.328 0.000 1.195 1133 L HN 0.429 nan 8.230 nan 0.000 0.428 1134 F N 4.625 124.554 119.950 -0.034 0.000 2.426 1134 F HA 0.483 5.009 4.527 -0.001 0.000 0.348 1134 F C 0.119 175.884 175.800 -0.059 0.000 1.124 1134 F CA -0.418 57.546 58.000 -0.060 0.000 1.008 1134 F CB 1.307 40.289 39.000 -0.031 0.000 1.139 1134 F HN 0.168 nan 8.300 nan 0.000 0.452 1135 I N 3.284 123.873 120.570 0.033 0.000 2.411 1135 I HA 0.317 4.487 4.170 -0.001 0.000 0.284 1135 I C -0.181 175.938 176.117 0.004 0.000 1.012 1135 I CA -0.449 60.854 61.300 0.005 0.000 1.119 1135 I CB 1.542 39.497 38.000 -0.075 0.000 1.261 1135 I HN 0.612 nan 8.210 nan 0.000 0.448 1136 S N 5.032 120.753 115.700 0.035 0.000 2.690 1136 S HA 0.407 4.876 4.470 -0.001 0.000 0.291 1136 S C 0.783 175.408 174.600 0.041 0.000 1.138 1136 S CA -0.677 57.542 58.200 0.031 0.000 1.013 1136 S CB 2.000 65.216 63.200 0.026 0.000 1.053 1136 S HN 0.577 nan 8.310 nan 0.000 0.539 1137 I N 1.642 122.244 120.570 0.053 0.000 2.454 1137 I HA -0.064 4.105 4.170 -0.001 0.000 0.254 1137 I C 2.029 178.188 176.117 0.069 0.000 1.156 1137 I CA 1.403 62.744 61.300 0.069 0.000 1.433 1137 I CB -0.683 37.372 38.000 0.092 0.000 1.082 1137 I HN 0.738 nan 8.210 nan 0.000 0.432 1138 S N 0.334 116.071 115.700 0.062 0.000 2.547 1138 S HA -0.062 4.407 4.470 -0.001 0.000 0.235 1138 S C 1.046 175.700 174.600 0.090 0.000 0.980 1138 S CA 0.907 59.147 58.200 0.066 0.000 0.941 1138 S CB -0.392 62.837 63.200 0.047 0.000 0.763 1138 S HN 0.526 nan 8.310 nan 0.000 0.532 1139 D N 1.482 121.939 120.400 0.094 0.000 2.402 1139 D HA 0.038 4.677 4.640 -0.001 0.000 0.216 1139 D C 0.475 176.861 176.300 0.143 0.000 1.128 1139 D CA -0.094 53.989 54.000 0.138 0.000 0.833 1139 D CB 0.159 41.022 40.800 0.104 0.000 0.971 1139 D HN 0.534 nan 8.370 nan 0.000 0.503 1140 R N 0.052 120.610 120.500 0.097 0.000 2.538 1140 R HA 0.277 4.616 4.340 -0.001 0.000 0.282 1140 R C 0.974 177.258 176.300 -0.028 0.000 1.009 1140 R CA 0.832 56.958 56.100 0.043 0.000 1.063 1140 R CB 0.130 30.455 30.300 0.042 0.000 0.945 1140 R HN 0.002 nan 8.270 nan 0.000 0.414 1141 G N 1.874 110.612 108.800 -0.103 0.000 2.217 1141 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.246 1141 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.246 1141 G C 0.357 174.976 174.900 -0.469 0.000 0.990 1141 G CA 0.241 45.164 45.100 -0.295 0.000 0.627 1141 G HN 0.802 nan 8.290 nan 0.000 0.522 1142 H N -0.410 118.673 119.070 0.022 0.000 2.767 1142 H HA 0.381 4.936 4.556 -0.001 0.000 0.260 1142 H C 2.001 177.343 175.328 0.024 0.000 1.172 1142 H CA 0.467 56.528 56.048 0.021 0.000 1.048 1142 H CB 0.453 30.229 29.762 0.022 0.000 1.697 1142 H HN 0.256 nan 8.280 nan 0.000 0.606 1143 V N 0.829 120.798 119.914 0.091 0.000 2.490 1143 V HA -0.249 3.870 4.120 -0.001 0.000 0.250 1143 V C 2.743 178.873 176.094 0.061 0.000 1.061 1143 V CA 1.773 64.121 62.300 0.079 0.000 1.064 1143 V CB -0.259 31.603 31.823 0.064 0.000 0.670 1143 V HN 0.195 nan 8.190 nan 0.000 0.461 1144 R N 1.730 122.252 120.500 0.036 0.000 2.096 1144 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 1144 R C 2.501 178.820 176.300 0.031 0.000 1.127 1144 R CA 1.947 58.054 56.100 0.011 0.000 0.968 1144 R CB -0.878 29.418 30.300 -0.008 0.000 0.861 1144 R HN 0.672 nan 8.270 nan 0.000 0.440 1145 S N -0.686 115.052 115.700 0.063 0.000 2.423 1145 S HA -0.062 4.407 4.470 -0.001 0.000 0.231 1145 S C 2.056 176.699 174.600 0.072 0.000 1.014 1145 S CA 1.088 59.326 58.200 0.064 0.000 0.965 1145 S CB -0.384 62.864 63.200 0.080 0.000 0.785 1145 S HN 0.359 nan 8.310 nan 0.000 0.495 1146 I N 1.049 121.670 120.570 0.085 0.000 2.333 1146 I HA -0.069 4.100 4.170 -0.001 0.000 0.246 1146 I C 2.356 178.545 176.117 0.120 0.000 1.106 1146 I CA 0.746 62.108 61.300 0.103 0.000 1.411 1146 I CB -0.290 37.771 38.000 0.103 0.000 1.082 1146 I HN 0.202 nan 8.210 nan 0.000 0.420 1147 V N 0.704 120.671 119.914 0.088 0.000 2.407 1147 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 1147 V C 1.792 177.946 176.094 0.099 0.000 1.055 1147 V CA 1.784 64.135 62.300 0.086 0.000 1.049 1147 V CB -0.650 31.175 31.823 0.003 0.000 0.662 1147 V HN 0.399 nan 8.190 nan 0.000 0.455 1148 D N 0.078 120.510 120.400 0.053 0.000 2.348 1148 D HA -0.083 4.557 4.640 -0.001 0.000 0.216 1148 D C 1.748 178.105 176.300 0.096 0.000 0.970 1148 D CA 0.595 54.620 54.000 0.042 0.000 0.889 1148 D CB -0.243 40.565 40.800 0.013 0.000 0.912 1148 D HN 0.393 nan 8.370 nan 0.000 0.524 1149 N N -0.314 118.469 118.700 0.138 0.000 2.463 1149 N HA -0.075 4.664 4.740 -0.001 0.000 0.181 1149 N C 0.258 175.888 175.510 0.199 0.000 1.078 1149 N CA -0.030 53.103 53.050 0.140 0.000 0.902 1149 N CB 0.072 38.639 38.487 0.133 0.000 0.970 1149 N HN 0.352 nan 8.380 nan 0.000 0.451 1150 W N 2.801 124.142 121.300 0.069 0.000 2.308 1150 W HA 0.066 4.726 4.660 -0.001 0.000 0.324 1150 W C -1.626 174.946 176.519 0.088 0.000 1.387 1150 W CA -1.353 56.044 57.345 0.087 0.000 1.250 1150 W CB 0.979 30.521 29.460 0.136 0.000 1.257 1150 W HN 0.082 nan 8.180 nan 0.000 0.554 1151 P HA -0.197 nan 4.420 nan 0.000 0.216 1151 P C -0.012 177.173 177.300 -0.192 0.000 1.153 1151 P CA 1.652 64.551 63.100 -0.336 0.000 0.858 1151 P CB 0.145 31.570 31.700 -0.460 0.000 0.789 1152 E N 0.041 120.088 120.200 -0.256 0.000 2.360 1152 E HA 0.043 4.392 4.350 -0.001 0.000 0.269 1152 E C 0.761 177.531 176.600 0.284 0.000 1.022 1152 E CA 0.082 56.510 56.400 0.047 0.000 0.887 1152 E CB 0.184 29.943 29.700 0.099 0.000 0.990 1152 E HN 0.179 nan 8.360 nan 0.000 0.426 1153 N N 0.893 119.736 118.700 0.237 0.000 2.368 1153 N HA -0.094 4.645 4.740 -0.001 0.000 0.176 1153 N C 0.258 176.029 175.510 0.435 0.000 1.021 1153 N CA 0.591 53.834 53.050 0.323 0.000 0.888 1153 N CB 0.224 38.812 38.487 0.168 0.000 0.995 1153 N HN 0.496 nan 8.380 nan 0.000 0.437 1154 H N 0.976 120.137 119.070 0.151 0.000 2.328 1154 H HA 0.301 4.856 4.556 -0.001 0.000 0.230 1154 H C -0.711 174.555 175.328 -0.103 0.000 1.481 1154 H CA -0.404 55.692 56.048 0.081 0.000 1.306 1154 H CB 0.227 30.026 29.762 0.063 0.000 1.531 1154 H HN -0.240 nan 8.280 nan 0.000 0.533 1155 V N 3.526 123.229 119.914 -0.352 0.000 2.572 1155 V HA -0.033 4.086 4.120 -0.001 0.000 0.291 1155 V C 0.918 176.786 176.094 -0.378 0.000 1.039 1155 V CA 0.382 62.319 62.300 -0.604 0.000 1.055 1155 V CB 1.356 32.384 31.823 -1.326 0.000 0.969 1155 V HN 0.672 nan 8.190 nan 0.000 0.482 1156 K N 2.754 122.981 120.400 -0.287 0.000 2.412 1156 K HA 0.458 4.777 4.320 -0.001 0.000 0.202 1156 K C 0.121 176.659 176.600 -0.103 0.000 1.102 1156 K CA 0.445 56.624 56.287 -0.180 0.000 1.027 1156 K CB 1.549 33.932 32.500 -0.195 0.000 0.931 1156 K HN 0.715 nan 8.250 nan 0.000 0.557 1157 A N 0.902 123.638 122.820 -0.141 0.000 2.459 1157 A HA 0.612 4.931 4.320 -0.001 0.000 0.296 1157 A C -1.180 176.268 177.584 -0.226 0.000 1.039 1157 A CA -0.530 51.453 52.037 -0.090 0.000 0.698 1157 A CB 1.652 20.692 19.000 0.066 0.000 1.261 1157 A HN -0.123 nan 8.150 nan 0.000 0.405 1158 V N 2.105 121.895 119.914 -0.207 0.000 2.656 1158 V HA 0.613 4.733 4.120 -0.001 0.000 0.307 1158 V C -0.619 175.310 176.094 -0.275 0.000 1.051 1158 V CA -0.567 61.575 62.300 -0.263 0.000 0.893 1158 V CB 1.982 33.685 31.823 -0.200 0.000 0.999 1158 V HN 0.736 nan 8.190 nan 0.000 0.426 1159 V N 5.003 124.716 119.914 -0.334 0.000 2.407 1159 V HA 0.560 4.679 4.120 -0.001 0.000 0.291 1159 V C -0.365 175.542 176.094 -0.312 0.000 1.018 1159 V CA -0.562 61.542 62.300 -0.326 0.000 0.842 1159 V CB 1.829 33.433 31.823 -0.364 0.000 0.996 1159 V HN 0.614 nan 8.190 nan 0.000 0.426 1160 V N 4.707 124.431 119.914 -0.317 0.000 2.769 1160 V HA 0.895 5.014 4.120 -0.001 0.000 0.312 1160 V C -0.291 175.719 176.094 -0.139 0.000 1.061 1160 V CA 0.176 62.272 62.300 -0.340 0.000 0.931 1160 V CB 2.497 34.002 31.823 -0.531 0.000 1.010 1160 V HN 0.984 nan 8.190 nan 0.000 0.433 1161 T N 2.366 116.772 114.554 -0.245 0.000 2.843 1161 T HA 0.467 4.816 4.350 -0.001 0.000 0.302 1161 T C -0.767 173.551 174.700 -0.637 0.000 1.232 1161 T CA 0.160 62.022 62.100 -0.396 0.000 1.009 1161 T CB 1.780 70.480 68.868 -0.280 0.000 1.254 1161 T HN 0.929 nan 8.240 nan 0.000 0.504 1162 D N 0.100 119.945 120.400 -0.924 0.000 2.503 1162 D HA 0.243 4.882 4.640 -0.001 0.000 0.218 1162 D C 1.332 177.437 176.300 -0.325 0.000 1.183 1162 D CA 0.566 54.236 54.000 -0.551 0.000 0.827 1162 D CB -0.280 40.218 40.800 -0.504 0.000 1.034 1162 D HN 1.102 nan 8.370 nan 0.000 0.510 1163 G N 1.460 110.069 108.800 -0.317 0.000 2.203 1163 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.263 1163 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.263 1163 G C 0.706 175.528 174.900 -0.130 0.000 1.012 1163 G CA 0.826 45.821 45.100 -0.174 0.000 0.749 1163 G HN 0.520 nan 8.290 nan 0.000 0.512 1164 E N -0.624 119.485 120.200 -0.152 0.000 2.170 1164 E HA 0.067 4.416 4.350 -0.001 0.000 0.191 1164 E C 1.663 178.230 176.600 -0.054 0.000 0.981 1164 E CA 0.215 56.563 56.400 -0.087 0.000 0.830 1164 E CB 0.080 29.739 29.700 -0.069 0.000 0.775 1164 E HN 0.305 nan 8.360 nan 0.000 0.470 1165 R N 1.467 121.937 120.500 -0.049 0.000 2.629 1165 R HA 0.189 4.529 4.340 -0.001 0.000 0.277 1165 R C -1.032 175.249 176.300 -0.032 0.000 1.637 1165 R CA -0.472 55.614 56.100 -0.024 0.000 1.663 1165 R CB 0.248 30.553 30.300 0.009 0.000 1.228 1165 R HN 0.131 nan 8.270 nan 0.000 0.632 1166 I N 5.521 126.064 120.570 -0.045 0.000 2.406 1166 I HA 0.025 4.194 4.170 -0.001 0.000 0.293 1166 I C 1.499 177.590 176.117 -0.044 0.000 1.101 1166 I CA 0.444 61.715 61.300 -0.050 0.000 1.334 1166 I CB -0.583 37.386 38.000 -0.053 0.000 1.421 1166 I HN 0.589 nan 8.210 nan 0.000 0.513 1167 L N 5.050 126.248 121.223 -0.042 0.000 6.828 1167 L HA -0.299 4.040 4.340 -0.001 0.000 0.053 1167 L C 1.394 178.241 176.870 -0.038 0.000 1.638 1167 L CA 1.306 56.117 54.840 -0.047 0.000 1.687 1167 L CB -1.431 40.584 42.059 -0.072 0.000 2.704 1167 L HN 0.687 nan 8.230 nan 0.000 1.061 1168 G N -0.866 107.908 108.800 -0.044 0.000 3.518 1168 G HA2 0.408 4.368 3.960 -0.001 0.000 0.273 1168 G HA3 0.408 4.368 3.960 -0.001 0.000 0.273 1168 G C 0.613 175.492 174.900 -0.035 0.000 1.199 1168 G CA -0.180 44.898 45.100 -0.037 0.000 0.899 1168 G HN 0.209 nan 8.290 nan 0.000 0.533 1169 L N 0.081 121.283 121.223 -0.036 0.000 2.567 1169 L HA 0.369 4.708 4.340 -0.001 0.000 0.225 1169 L C 1.732 178.585 176.870 -0.028 0.000 1.119 1169 L CA 0.808 55.629 54.840 -0.031 0.000 0.871 1169 L CB -0.567 41.473 42.059 -0.032 0.000 1.036 1169 L HN 0.416 nan 8.230 nan 0.000 0.459 1170 G N -0.495 108.287 108.800 -0.029 0.000 2.499 1170 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.232 1170 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.232 1170 G C -0.422 174.456 174.900 -0.037 0.000 1.251 1170 G CA -0.126 44.955 45.100 -0.030 0.000 0.917 1170 G HN 0.149 nan 8.290 nan 0.000 0.580 1171 D N 1.106 121.479 120.400 -0.044 0.000 2.352 1171 D HA 0.456 5.095 4.640 -0.001 0.000 0.245 1171 D C 1.351 177.613 176.300 -0.063 0.000 1.224 1171 D CA -0.112 53.853 54.000 -0.058 0.000 0.879 1171 D CB 0.435 41.196 40.800 -0.066 0.000 1.057 1171 D HN 0.389 nan 8.370 nan 0.000 0.491 1172 L N 3.070 124.265 121.223 -0.046 0.000 2.766 1172 L HA 0.274 4.613 4.340 -0.001 0.000 0.242 1172 L C 1.656 178.523 176.870 -0.006 0.000 1.136 1172 L CA -0.003 54.827 54.840 -0.017 0.000 0.933 1172 L CB -0.034 42.058 42.059 0.054 0.000 1.241 1172 L HN 0.642 nan 8.230 nan 0.000 0.522 1173 G N 0.841 109.630 108.800 -0.019 0.000 2.596 1173 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.295 1173 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.295 1173 G C 0.773 175.730 174.900 0.095 0.000 1.240 1173 G CA 0.214 45.347 45.100 0.054 0.000 0.985 1173 G HN -0.102 nan 8.290 nan 0.000 0.555 1174 V N 0.673 120.682 119.914 0.158 0.000 2.867 1174 V HA -0.121 3.998 4.120 -0.001 0.000 0.260 1174 V C 2.274 178.531 176.094 0.271 0.000 1.099 1174 V CA 2.517 64.896 62.300 0.132 0.000 1.122 1174 V CB -0.848 30.952 31.823 -0.039 0.000 0.708 1174 V HN 0.546 nan 8.190 nan 0.000 0.490 1175 Y N 0.664 121.047 120.300 0.138 0.000 2.497 1175 Y HA 0.011 4.560 4.550 -0.001 0.000 0.292 1175 Y C 1.953 177.707 175.900 -0.243 0.000 1.137 1175 Y CA -0.182 57.951 58.100 0.055 0.000 1.285 1175 Y CB -0.105 38.453 38.460 0.164 0.000 0.991 1175 Y HN 0.439 nan 8.280 nan 0.000 0.556 1179 I N 1.894 122.400 120.570 -0.108 0.000 2.193 1179 I HA 0.021 4.190 4.170 -0.001 0.000 0.240 1179 I C -0.292 175.797 176.117 -0.045 0.000 1.084 1179 I CA 1.086 62.364 61.300 -0.036 0.000 1.365 1179 I CB -1.641 36.321 38.000 -0.063 0.000 1.064 1179 I HN 0.007 nan 8.210 nan 0.000 0.410 1180 P HA -0.075 nan 4.420 nan 0.000 0.217 1180 P C 2.235 179.458 177.300 -0.129 0.000 1.150 1180 P CA 0.984 63.985 63.100 -0.166 0.000 0.832 1180 P CB 0.086 31.646 31.700 -0.233 0.000 0.787 1181 V N 0.043 119.914 119.914 -0.071 0.000 2.295 1181 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 1181 V C 2.588 178.712 176.094 0.050 0.000 1.049 1181 V CA 2.604 64.898 62.300 -0.010 0.000 1.024 1181 V CB -1.843 30.020 31.823 0.067 0.000 0.648 1181 V HN 0.173 nan 8.190 nan 0.000 0.447 1182 G N -0.311 108.553 108.800 0.106 0.000 2.421 1182 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 1182 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 1182 G C 1.644 176.633 174.900 0.149 0.000 1.171 1182 G CA 0.582 45.792 45.100 0.183 0.000 0.775 1182 G HN 0.360 nan 8.290 nan 0.000 0.543 1183 K N 0.317 120.768 120.400 0.085 0.000 2.044 1183 K HA -0.000 4.319 4.320 -0.001 0.000 0.210 1183 K C 2.508 179.175 176.600 0.112 0.000 1.049 1183 K CA 0.755 57.065 56.287 0.037 0.000 0.927 1183 K CB -0.667 31.722 32.500 -0.185 0.000 0.713 1183 K HN 0.343 nan 8.250 nan 0.000 0.443 1184 L N 0.389 121.576 121.223 -0.061 0.000 2.201 1184 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 1184 L C 2.613 179.550 176.870 0.113 0.000 1.105 1184 L CA 0.582 55.339 54.840 -0.138 0.000 0.775 1184 L CB -0.411 41.487 42.059 -0.269 0.000 0.913 1184 L HN 0.179 nan 8.230 nan 0.000 0.440 1185 C N -0.188 119.229 119.300 0.195 0.000 2.422 1185 C HA -0.129 4.330 4.460 -0.001 0.000 0.279 1185 C C 2.649 177.826 174.990 0.311 0.000 1.305 1185 C CA 0.510 59.748 59.018 0.367 0.000 1.757 1185 C CB -0.724 27.230 27.740 0.356 0.000 1.962 1185 C HN 0.451 nan 8.230 nan 0.000 0.499 1186 L N -1.320 120.044 121.223 0.235 0.000 2.240 1186 L HA -0.090 4.250 4.340 -0.001 0.000 0.211 1186 L C 2.408 179.403 176.870 0.209 0.000 1.106 1186 L CA 1.143 56.078 54.840 0.158 0.000 0.793 1186 L CB -0.675 41.437 42.059 0.088 0.000 0.927 1186 L HN 0.274 nan 8.230 nan 0.000 0.446 1187 Y N 0.807 121.177 120.300 0.118 0.000 2.165 1187 Y HA -0.280 4.269 4.550 -0.001 0.000 0.286 1187 Y C 2.815 178.685 175.900 -0.049 0.000 1.155 1187 Y CA 1.933 60.074 58.100 0.068 0.000 1.164 1187 Y CB -0.751 37.736 38.460 0.045 0.000 0.978 1187 Y HN 0.129 nan 8.280 nan 0.000 0.513 1188 T N -0.817 113.771 114.554 0.056 0.000 2.814 1188 T HA -0.027 4.322 4.350 -0.001 0.000 0.254 1188 T C 2.189 176.820 174.700 -0.114 0.000 1.037 1188 T CA 1.082 63.056 62.100 -0.209 0.000 1.143 1188 T CB -0.640 67.769 68.868 -0.764 0.000 0.866 1188 T HN 0.340 nan 8.240 nan 0.000 0.431 1189 A N 0.396 123.229 122.820 0.021 0.000 1.972 1189 A HA -0.098 4.221 4.320 -0.001 0.000 0.219 1189 A C 2.525 180.107 177.584 -0.004 0.000 1.169 1189 A CA 1.471 53.557 52.037 0.082 0.000 0.635 1189 A CB -1.096 17.971 19.000 0.111 0.000 0.810 1189 A HN 0.640 nan 8.150 nan 0.000 0.446 1190 C N -2.298 116.975 119.300 -0.044 0.000 2.541 1190 C HA 0.467 4.926 4.460 -0.001 0.000 0.284 1190 C C 2.863 177.799 174.990 -0.090 0.000 1.341 1190 C CA 0.530 59.488 59.018 -0.100 0.000 1.732 1190 C CB -0.591 27.036 27.740 -0.188 0.000 2.126 1190 C HN 0.672 nan 8.230 nan 0.000 0.505 1191 A N -0.503 122.265 122.820 -0.086 0.000 2.390 1191 A HA 0.499 4.818 4.320 -0.001 0.000 0.232 1191 A C 1.521 179.081 177.584 -0.039 0.000 1.233 1191 A CA 1.010 52.998 52.037 -0.081 0.000 0.907 1191 A CB -0.551 18.373 19.000 -0.126 0.000 0.967 1191 A HN 1.239 nan 8.150 nan 0.000 0.512 1192 G N 0.046 108.841 108.800 -0.008 0.000 2.198 1192 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.257 1192 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.257 1192 G C 0.021 174.947 174.900 0.043 0.000 1.042 1192 G CA 0.308 45.445 45.100 0.062 0.000 0.791 1192 G HN 0.473 nan 8.290 nan 0.000 0.502 1193 I N 0.510 121.062 120.570 -0.029 0.000 2.496 1193 I HA 0.177 4.346 4.170 -0.001 0.000 0.285 1193 I C 1.425 177.425 176.117 -0.194 0.000 1.080 1193 I CA -0.619 60.654 61.300 -0.045 0.000 1.404 1193 I CB 0.592 38.623 38.000 0.052 0.000 1.403 1193 I HN 0.100 nan 8.210 nan 0.000 0.539 1194 R N 7.340 127.713 120.500 -0.211 0.000 2.480 1194 R HA -0.015 4.324 4.340 -0.001 0.000 0.303 1194 R C -1.591 174.399 176.300 -0.516 0.000 0.985 1194 R CA -0.986 54.836 56.100 -0.464 0.000 1.051 1194 R CB 0.069 30.231 30.300 -0.229 0.000 0.935 1194 R HN 0.404 nan 8.270 nan 0.000 0.410 1195 P HA -0.216 nan 4.420 nan 0.000 0.215 1195 P C 0.612 177.756 177.300 -0.260 0.000 1.157 1195 P CA 1.319 64.105 63.100 -0.522 0.000 0.868 1195 P CB 0.100 31.417 31.700 -0.638 0.000 0.788 1196 D N -0.688 119.570 120.400 -0.236 0.000 2.378 1196 D HA -0.161 4.478 4.640 -0.001 0.000 0.222 1196 D C 1.210 177.473 176.300 -0.062 0.000 0.980 1196 D CA 0.814 54.761 54.000 -0.089 0.000 0.907 1196 D CB -0.624 40.145 40.800 -0.053 0.000 0.899 1196 D HN 0.239 nan 8.370 nan 0.000 0.527 1197 R N -0.683 119.735 120.500 -0.137 0.000 2.468 1197 R HA 0.274 4.613 4.340 -0.001 0.000 0.280 1197 R C -0.306 175.885 176.300 -0.181 0.000 0.963 1197 R CA -0.289 55.716 56.100 -0.158 0.000 1.083 1197 R CB 0.478 30.662 30.300 -0.194 0.000 1.200 1197 R HN 0.094 nan 8.270 nan 0.000 0.541 1198 C N 1.156 120.361 119.300 -0.157 0.000 2.411 1198 C HA 0.552 5.011 4.460 -0.001 0.000 0.330 1198 C C -0.624 174.239 174.990 -0.211 0.000 1.224 1198 C CA -0.981 57.909 59.018 -0.213 0.000 1.770 1198 C CB 1.285 28.888 27.740 -0.228 0.000 2.297 1198 C HN 0.280 nan 8.230 nan 0.000 0.507 1199 L N 6.361 127.378 121.223 -0.344 0.000 2.457 1199 L HA 0.590 4.929 4.340 -0.001 0.000 0.266 1199 L C -2.599 173.983 176.870 -0.480 0.000 0.979 1199 L CA -1.842 52.695 54.840 -0.505 0.000 0.857 1199 L CB 1.639 43.290 42.059 -0.681 0.000 1.213 1199 L HN 0.435 nan 8.230 nan 0.000 0.418 1200 P HA 0.337 nan 4.420 nan 0.000 0.285 1200 P C -1.254 175.760 177.300 -0.478 0.000 1.259 1200 P CA -0.227 62.639 63.100 -0.391 0.000 0.794 1200 P CB 1.991 33.522 31.700 -0.282 0.000 0.940 1201 V N 3.409 123.056 119.914 -0.445 0.000 2.709 1201 V HA 0.330 4.449 4.120 -0.001 0.000 0.308 1201 V C -0.232 175.563 176.094 -0.498 0.000 1.062 1201 V CA -0.513 61.489 62.300 -0.497 0.000 0.901 1201 V CB 2.406 33.959 31.823 -0.450 0.000 1.003 1201 V HN 0.748 nan 8.190 nan 0.000 0.425 1202 C N 6.532 125.513 119.300 -0.533 0.000 2.369 1202 C HA 0.694 5.153 4.460 -0.001 0.000 0.322 1202 C C -0.321 174.484 174.990 -0.309 0.000 1.258 1202 C CA -0.440 58.339 59.018 -0.398 0.000 1.487 1202 C CB -0.332 27.208 27.740 -0.334 0.000 2.165 1202 C HN 0.823 nan 8.230 nan 0.000 0.483 1203 I N 5.236 125.621 120.570 -0.308 0.000 2.307 1203 I HA 0.261 4.430 4.170 -0.001 0.000 0.289 1203 I C -0.501 175.552 176.117 -0.106 0.000 1.021 1203 I CA 0.224 61.380 61.300 -0.240 0.000 1.224 1203 I CB 1.033 38.843 38.000 -0.317 0.000 1.376 1203 I HN 0.640 nan 8.210 nan 0.000 0.470 1204 D N 6.648 127.029 120.400 -0.032 0.000 2.373 1204 D HA 0.280 4.919 4.640 -0.001 0.000 0.227 1204 D C 0.327 176.654 176.300 0.045 0.000 1.091 1204 D CA -0.405 53.602 54.000 0.012 0.000 0.840 1204 D CB 1.466 42.277 40.800 0.019 0.000 1.060 1204 D HN 0.305 nan 8.370 nan 0.000 0.502 1205 V N 1.698 121.660 119.914 0.081 0.000 3.070 1205 V HA 0.733 4.853 4.120 -0.001 0.000 0.345 1205 V C 0.777 176.918 176.094 0.078 0.000 1.403 1205 V CA 0.299 62.670 62.300 0.118 0.000 1.155 1205 V CB -0.331 31.643 31.823 0.252 0.000 1.140 1205 V HN 0.744 nan 8.190 nan 0.000 0.505 1206 G N -0.119 108.713 108.800 0.055 0.000 2.566 1206 G HA2 0.249 4.208 3.960 -0.001 0.000 0.599 1206 G HA3 0.249 4.208 3.960 -0.001 0.000 0.599 1206 G C -0.458 174.451 174.900 0.015 0.000 1.292 1206 G CA -0.014 45.111 45.100 0.041 0.000 0.922 1206 G HN 1.267 nan 8.290 nan 0.000 0.514 1207 T N -1.263 113.276 114.554 -0.025 0.000 2.923 1207 T HA 0.575 4.924 4.350 -0.001 0.000 0.311 1207 T C -0.470 174.174 174.700 -0.095 0.000 1.183 1207 T CA 0.204 62.258 62.100 -0.077 0.000 1.020 1207 T CB 1.692 70.471 68.868 -0.148 0.000 1.165 1207 T HN 0.423 nan 8.240 nan 0.000 0.482 1208 D N 1.968 122.316 120.400 -0.087 0.000 2.339 1208 D HA 0.082 4.721 4.640 -0.001 0.000 0.217 1208 D C 0.470 176.715 176.300 -0.091 0.000 1.050 1208 D CA 0.066 54.021 54.000 -0.075 0.000 0.856 1208 D CB 0.171 40.937 40.800 -0.058 0.000 0.922 1208 D HN 0.421 nan 8.370 nan 0.000 0.518 1209 N N 1.695 120.316 118.700 -0.132 0.000 2.400 1209 N HA 0.010 4.749 4.740 -0.001 0.000 0.267 1209 N C 1.313 176.732 175.510 -0.151 0.000 1.208 1209 N CA -0.028 52.937 53.050 -0.142 0.000 0.951 1209 N CB 0.355 38.729 38.487 -0.189 0.000 1.227 1209 N HN 0.109 nan 8.380 nan 0.000 0.488 1210 I N 2.575 123.087 120.570 -0.097 0.000 2.194 1210 I HA -0.329 3.840 4.170 -0.001 0.000 0.246 1210 I C 2.237 178.306 176.117 -0.080 0.000 1.093 1210 I CA 1.275 62.529 61.300 -0.077 0.000 1.355 1210 I CB -0.288 37.683 38.000 -0.049 0.000 1.046 1210 I HN 0.513 nan 8.210 nan 0.000 0.413 1211 A N 1.285 124.060 122.820 -0.075 0.000 1.883 1211 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 1211 A C 2.341 179.874 177.584 -0.084 0.000 1.186 1211 A CA 1.560 53.566 52.037 -0.053 0.000 0.624 1211 A CB -0.919 18.065 19.000 -0.028 0.000 0.822 1211 A HN 0.406 nan 8.150 nan 0.000 0.444 1212 L N -0.638 120.465 121.223 -0.201 0.000 2.046 1212 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 1212 L C 2.382 179.043 176.870 -0.348 0.000 1.077 1212 L CA 0.986 55.586 54.840 -0.400 0.000 0.747 1212 L CB -0.652 40.902 42.059 -0.841 0.000 0.896 1212 L HN 0.362 nan 8.230 nan 0.000 0.432 1213 L N -0.197 120.879 121.223 -0.246 0.000 2.447 1213 L HA -0.193 4.146 4.340 -0.001 0.000 0.225 1213 L C 1.898 178.830 176.870 0.104 0.000 1.148 1213 L CA 1.204 56.044 54.840 -0.000 0.000 0.808 1213 L CB -0.335 41.716 42.059 -0.014 0.000 0.928 1213 L HN 0.288 nan 8.230 nan 0.000 0.448 1214 K N -1.300 119.113 120.400 0.021 0.000 2.358 1214 K HA 0.072 4.391 4.320 -0.001 0.000 0.200 1214 K C 0.029 176.646 176.600 0.028 0.000 1.030 1214 K CA -0.230 56.057 56.287 0.001 0.000 1.097 1214 K CB 0.430 32.918 32.500 -0.019 0.000 0.862 1214 K HN -0.010 nan 8.250 nan 0.000 0.534 1215 D N 1.680 122.143 120.400 0.106 0.000 2.316 1215 D HA 0.088 4.727 4.640 -0.001 0.000 0.245 1215 D C -1.961 174.432 176.300 0.155 0.000 1.171 1215 D CA -2.332 51.755 54.000 0.146 0.000 0.856 1215 D CB 1.711 42.662 40.800 0.253 0.000 1.090 1215 D HN -0.138 nan 8.370 nan 0.000 0.476 1216 P HA -0.034 nan 4.420 nan 0.000 0.222 1216 P C 0.520 177.703 177.300 -0.196 0.000 1.147 1216 P CA 0.736 63.685 63.100 -0.253 0.000 0.790 1216 P CB 0.064 31.423 31.700 -0.568 0.000 0.780 1217 F N -3.479 116.551 119.950 0.133 0.000 2.693 1217 F HA 0.201 4.727 4.527 -0.002 0.000 0.303 1217 F C 1.272 177.236 175.800 0.273 0.000 1.097 1217 F CA -1.337 56.720 58.000 0.095 0.000 1.330 1217 F CB -1.326 37.606 39.000 -0.113 0.000 1.067 1217 F HN -0.087 nan 8.300 nan 0.000 0.565 1221 L N 0.232 121.323 121.223 -0.219 0.000 2.416 1221 L HA 0.250 4.589 4.340 -0.001 0.000 0.272 1221 L C -0.303 176.543 176.870 -0.040 0.000 1.161 1221 L CA -0.353 54.431 54.840 -0.094 0.000 0.845 1221 L CB 0.513 42.570 42.059 -0.003 0.000 1.119 1221 L HN 0.515 nan 8.230 nan 0.000 0.464 1222 Y N 2.902 123.266 120.300 0.106 0.000 2.667 1222 Y HA 0.146 4.695 4.550 -0.002 0.000 0.340 1222 Y C 0.533 176.455 175.900 0.037 0.000 1.303 1222 Y CA -0.298 57.854 58.100 0.088 0.000 1.769 1222 Y CB -0.146 38.347 38.460 0.054 0.000 1.804 1222 Y HN 0.532 nan 8.280 nan 0.000 0.451 1223 Q N -0.704 119.169 119.800 0.122 0.000 2.534 1223 Q HA 0.498 4.837 4.340 -0.001 0.000 0.290 1223 Q C -1.236 174.783 176.000 0.032 0.000 0.991 1223 Q CA -1.458 54.390 55.803 0.074 0.000 0.783 1223 Q CB 1.600 30.378 28.738 0.066 0.000 1.470 1223 Q HN -0.037 nan 8.270 nan 0.000 0.406 1224 K N 1.061 121.472 120.400 0.017 0.000 2.120 1224 K HA 0.312 4.631 4.320 -0.001 0.000 0.245 1224 K C -0.173 176.427 176.600 -0.001 0.000 1.024 1224 K CA -0.385 55.899 56.287 -0.005 0.000 0.906 1224 K CB 0.464 32.959 32.500 -0.008 0.000 1.051 1224 K HN 0.557 nan 8.250 nan 0.000 0.491 1225 R N 1.505 121.993 120.500 -0.020 0.000 2.570 1225 R HA -0.036 4.303 4.340 -0.001 0.000 0.277 1225 R C 0.209 176.500 176.300 -0.015 0.000 1.039 1225 R CA 0.063 56.149 56.100 -0.023 0.000 1.065 1225 R CB 0.266 30.525 30.300 -0.068 0.000 0.964 1225 R HN 0.462 nan 8.270 nan 0.000 0.428 1226 D N 2.568 122.981 120.400 0.023 0.000 2.316 1226 D HA 0.045 4.684 4.640 -0.001 0.000 0.245 1226 D C 0.169 176.477 176.300 0.014 0.000 1.171 1226 D CA 0.030 54.063 54.000 0.055 0.000 0.856 1226 D CB 0.725 41.598 40.800 0.122 0.000 1.090 1226 D HN 0.430 nan 8.370 nan 0.000 0.476 1227 R N 1.827 122.321 120.500 -0.009 0.000 2.472 1227 R HA 0.102 4.441 4.340 -0.001 0.000 0.279 1227 R C 1.008 177.348 176.300 0.067 0.000 0.953 1227 R CA -0.243 55.826 56.100 -0.051 0.000 1.088 1227 R CB 0.623 30.877 30.300 -0.077 0.000 1.197 1227 R HN 0.479 nan 8.270 nan 0.000 0.536 1228 T N -1.982 112.637 114.554 0.109 0.000 2.753 1228 T HA -0.047 4.302 4.350 -0.001 0.000 0.309 1228 T C 1.265 176.077 174.700 0.186 0.000 1.043 1228 T CA -0.377 61.796 62.100 0.122 0.000 0.964 1228 T CB 0.821 69.748 68.868 0.098 0.000 1.206 1228 T HN -0.068 nan 8.240 nan 0.000 0.528 1229 Q N -0.186 119.706 119.800 0.152 0.000 2.291 1229 Q HA -0.092 4.247 4.340 -0.001 0.000 0.206 1229 Q C 2.340 178.445 176.000 0.175 0.000 0.976 1229 Q CA 1.596 57.498 55.803 0.165 0.000 0.875 1229 Q CB -0.592 28.216 28.738 0.117 0.000 0.927 1229 Q HN 0.778 nan 8.270 nan 0.000 0.450 1230 Q N -1.395 118.502 119.800 0.162 0.000 2.124 1230 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 1230 Q C 1.576 177.688 176.000 0.186 0.000 0.977 1230 Q CA 1.482 57.373 55.803 0.146 0.000 0.850 1230 Q CB -0.278 28.534 28.738 0.123 0.000 0.901 1230 Q HN 0.559 nan 8.270 nan 0.000 0.429 1231 Y N 2.060 122.439 120.300 0.130 0.000 2.097 1231 Y HA -0.271 4.278 4.550 -0.001 0.000 0.282 1231 Y C 1.438 177.469 175.900 0.220 0.000 1.152 1231 Y CA 2.102 60.304 58.100 0.169 0.000 1.136 1231 Y CB -0.189 38.389 38.460 0.196 0.000 0.975 1231 Y HN 0.094 nan 8.280 nan 0.000 0.498 1232 D N 0.132 120.698 120.400 0.277 0.000 2.117 1232 D HA -0.179 4.461 4.640 -0.001 0.000 0.197 1232 D C 1.794 178.157 176.300 0.106 0.000 0.987 1232 D CA 1.720 55.858 54.000 0.232 0.000 0.829 1232 D CB -0.366 40.626 40.800 0.321 0.000 0.961 1232 D HN 0.451 nan 8.370 nan 0.000 0.460 1233 D N -0.066 120.397 120.400 0.105 0.000 2.117 1233 D HA -0.115 4.524 4.640 -0.001 0.000 0.197 1233 D C 2.145 178.465 176.300 0.033 0.000 0.987 1233 D CA 0.350 54.395 54.000 0.074 0.000 0.829 1233 D CB -0.247 40.596 40.800 0.072 0.000 0.961 1233 D HN 0.134 nan 8.370 nan 0.000 0.460 1234 L N 1.189 122.415 121.223 0.005 0.000 1.994 1234 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 1234 L C 2.176 179.012 176.870 -0.057 0.000 1.071 1234 L CA 1.282 56.108 54.840 -0.024 0.000 0.745 1234 L CB -0.457 41.579 42.059 -0.039 0.000 0.892 1234 L HN -0.055 nan 8.230 nan 0.000 0.431 1235 I N -0.362 120.108 120.570 -0.166 0.000 2.208 1235 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 1235 I C 2.264 178.344 176.117 -0.062 0.000 1.097 1235 I CA 1.395 62.578 61.300 -0.195 0.000 1.363 1235 I CB -1.509 36.174 38.000 -0.528 0.000 1.051 1235 I HN 0.339 nan 8.210 nan 0.000 0.413 1236 D N 0.614 121.021 120.400 0.012 0.000 2.104 1236 D HA -0.210 4.429 4.640 -0.001 0.000 0.194 1236 D C 2.184 178.487 176.300 0.005 0.000 0.994 1236 D CA 1.147 55.196 54.000 0.081 0.000 0.830 1236 D CB -0.071 40.815 40.800 0.144 0.000 0.959 1236 D HN 0.391 nan 8.370 nan 0.000 0.452 1237 E N -0.929 119.278 120.200 0.012 0.000 2.110 1237 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 1237 E C 0.937 177.520 176.600 -0.028 0.000 0.988 1237 E CA 0.054 56.453 56.400 -0.002 0.000 0.804 1237 E CB -0.032 29.675 29.700 0.012 0.000 0.745 1237 E HN 0.139 nan 8.360 nan 0.000 0.458 1241 A N 2.136 124.833 122.820 -0.204 0.000 1.865 1241 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 1241 A C 1.941 179.388 177.584 -0.230 0.000 1.191 1241 A CA 1.891 53.824 52.037 -0.172 0.000 0.623 1241 A CB -0.750 18.181 19.000 -0.114 0.000 0.826 1241 A HN 0.323 nan 8.150 nan 0.000 0.444 1242 I N 0.870 121.225 120.570 -0.359 0.000 2.118 1242 I HA -0.253 3.916 4.170 -0.001 0.000 0.241 1242 I C 2.839 178.848 176.117 -0.180 0.000 1.070 1242 I CA 2.448 63.566 61.300 -0.303 0.000 1.327 1242 I CB -1.912 35.727 38.000 -0.602 0.000 1.034 1242 I HN 0.583 nan 8.210 nan 0.000 0.405 1243 T N -2.005 112.404 114.554 -0.242 0.000 2.904 1243 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 1243 T C 1.549 176.212 174.700 -0.061 0.000 1.059 1243 T CA 1.099 63.135 62.100 -0.107 0.000 1.137 1243 T CB -0.344 68.482 68.868 -0.070 0.000 0.879 1243 T HN 0.152 nan 8.240 nan 0.000 0.467 1244 D N 1.296 121.639 120.400 -0.096 0.000 2.117 1244 D HA -0.050 4.589 4.640 -0.001 0.000 0.197 1244 D C 2.238 178.466 176.300 -0.120 0.000 0.987 1244 D CA 0.988 54.940 54.000 -0.081 0.000 0.829 1244 D CB -0.258 40.493 40.800 -0.081 0.000 0.961 1244 D HN 0.474 nan 8.370 nan 0.000 0.460 1245 R N -1.007 119.363 120.500 -0.217 0.000 2.112 1245 R HA -0.020 4.319 4.340 -0.001 0.000 0.216 1245 R C 1.437 177.510 176.300 -0.378 0.000 1.080 1245 R CA 0.733 56.610 56.100 -0.372 0.000 0.996 1245 R CB 0.056 29.978 30.300 -0.630 0.000 0.902 1245 R HN 0.257 nan 8.270 nan 0.000 0.449 1246 Y N -0.841 119.448 120.300 -0.018 0.000 2.442 1246 Y HA 0.368 4.918 4.550 -0.002 0.000 0.250 1246 Y C 0.543 176.461 175.900 0.029 0.000 1.113 1246 Y CA -0.013 58.099 58.100 0.020 0.000 1.273 1246 Y CB 1.651 40.116 38.460 0.009 0.000 1.138 1246 Y HN 0.289 nan 8.280 nan 0.000 0.522 1247 G N 0.520 109.391 108.800 0.119 0.000 2.592 1247 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.685 1247 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.685 1247 G C -0.142 174.794 174.900 0.061 0.000 1.278 1247 G CA -0.927 44.224 45.100 0.085 0.000 0.822 1247 G HN 0.141 nan 8.290 nan 0.000 0.652 1248 R N 0.398 120.928 120.500 0.050 0.000 2.189 1248 R HA -0.098 4.241 4.340 -0.001 0.000 0.223 1248 R C 1.862 178.191 176.300 0.048 0.000 1.092 1248 R CA 1.540 57.683 56.100 0.071 0.000 0.989 1248 R CB -0.062 30.266 30.300 0.047 0.000 0.876 1248 R HN 0.630 nan 8.270 nan 0.000 0.457 1249 N N -0.349 118.362 118.700 0.019 0.000 2.276 1249 N HA -0.029 4.711 4.740 -0.001 0.000 0.212 1249 N C -0.587 174.942 175.510 0.031 0.000 1.127 1249 N CA 0.032 53.083 53.050 0.002 0.000 0.834 1249 N CB 0.224 38.702 38.487 -0.014 0.000 1.014 1249 N HN -0.237 nan 8.380 nan 0.000 0.491 1250 T N 1.739 116.312 114.554 0.031 0.000 2.784 1250 T HA 0.037 4.387 4.350 -0.001 0.000 0.291 1250 T C 0.334 175.039 174.700 0.009 0.000 0.942 1250 T CA -0.440 61.665 62.100 0.009 0.000 1.161 1250 T CB 0.345 69.206 68.868 -0.012 0.000 0.885 1250 T HN 0.289 nan 8.240 nan 0.000 0.534 1251 L N 5.707 126.956 121.223 0.042 0.000 2.534 1251 L HA 0.267 4.606 4.340 -0.001 0.000 0.271 1251 L C -0.435 176.471 176.870 0.059 0.000 1.178 1251 L CA 0.253 55.160 54.840 0.113 0.000 0.907 1251 L CB 0.063 42.235 42.059 0.188 0.000 1.164 1251 L HN 0.639 nan 8.230 nan 0.000 0.482 1252 I N 5.653 126.264 120.570 0.069 0.000 2.382 1252 I HA 0.225 4.394 4.170 -0.001 0.000 0.285 1252 I C -0.206 175.894 176.117 -0.029 0.000 1.007 1252 I CA -0.353 60.930 61.300 -0.028 0.000 1.142 1252 I CB 1.738 39.687 38.000 -0.084 0.000 1.289 1252 I HN 0.593 nan 8.210 nan 0.000 0.453 1253 Q N 6.369 126.063 119.800 -0.176 0.000 2.340 1253 Q HA 0.409 4.748 4.340 -0.001 0.000 0.259 1253 Q C -1.428 174.394 176.000 -0.297 0.000 0.964 1253 Q CA -0.641 54.903 55.803 -0.433 0.000 0.900 1253 Q CB 0.982 29.478 28.738 -0.403 0.000 1.228 1253 Q HN 0.423 nan 8.270 nan 0.000 0.449 1254 F N 2.685 122.392 119.950 -0.404 0.000 2.412 1254 F HA 0.298 4.824 4.527 -0.001 0.000 0.348 1254 F C 0.346 176.065 175.800 -0.136 0.000 1.102 1254 F CA -0.131 57.726 58.000 -0.239 0.000 1.196 1254 F CB 1.281 40.062 39.000 -0.365 0.000 1.144 1254 F HN 0.565 nan 8.300 nan 0.000 0.541 1255 E N 1.489 121.805 120.200 0.193 0.000 2.308 1255 E HA 0.321 4.670 4.350 -0.001 0.000 0.275 1255 E C -1.218 175.497 176.600 0.192 0.000 0.890 1255 E CA -0.552 55.915 56.400 0.112 0.000 0.754 1255 E CB 1.003 30.672 29.700 -0.050 0.000 1.207 1255 E HN 0.480 nan 8.360 nan 0.000 0.426 1256 D N 2.139 122.617 120.400 0.130 0.000 2.708 1256 D HA -0.225 4.415 4.640 -0.001 0.000 0.236 1256 D C -0.895 175.446 176.300 0.069 0.000 1.146 1256 D CA 0.958 54.998 54.000 0.067 0.000 0.662 1256 D CB -1.313 39.474 40.800 -0.022 0.000 1.059 1256 D HN 0.220 nan 8.370 nan 0.000 0.428 1257 F N 0.531 120.507 119.950 0.043 0.000 2.378 1257 F HA 0.537 5.063 4.527 -0.001 0.000 0.325 1257 F C 1.941 177.772 175.800 0.052 0.000 1.097 1257 F CA 0.025 58.085 58.000 0.100 0.000 1.079 1257 F CB 0.804 39.935 39.000 0.218 0.000 1.240 1257 F HN -0.037 nan 8.300 nan 0.000 0.519 1258 G N 1.502 110.427 108.800 0.209 0.000 2.690 1258 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.239 1258 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.239 1258 G C 0.970 175.952 174.900 0.138 0.000 1.233 1258 G CA -0.303 44.873 45.100 0.127 0.000 0.847 1258 G HN 0.757 nan 8.290 nan 0.000 0.588 1259 N N -0.059 118.712 118.700 0.118 0.000 2.018 1259 N HA -0.251 4.488 4.740 -0.001 0.000 0.196 1259 N C 1.864 177.500 175.510 0.211 0.000 1.043 1259 N CA 2.083 55.226 53.050 0.156 0.000 0.856 1259 N CB -0.417 38.169 38.487 0.164 0.000 1.042 1259 N HN 0.731 nan 8.380 nan 0.000 0.423 1260 H N 0.818 119.936 119.070 0.080 0.000 2.289 1260 H HA -0.023 4.532 4.556 -0.001 0.000 0.296 1260 H C 1.758 177.072 175.328 -0.024 0.000 1.091 1260 H CA 2.626 58.701 56.048 0.044 0.000 1.274 1260 H CB -0.625 29.135 29.762 -0.003 0.000 1.364 1260 H HN 0.446 nan 8.280 nan 0.000 0.490 1261 N N -0.202 118.419 118.700 -0.132 0.000 2.166 1261 N HA -0.142 4.597 4.740 -0.001 0.000 0.186 1261 N C 2.063 177.351 175.510 -0.371 0.000 1.019 1261 N CA 0.733 53.544 53.050 -0.400 0.000 0.856 1261 N CB -0.152 38.357 38.487 0.036 0.000 0.993 1261 N HN 0.463 nan 8.380 nan 0.000 0.426 1262 A N 1.266 124.014 122.820 -0.120 0.000 1.849 1262 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 1262 A C 1.864 179.218 177.584 -0.384 0.000 1.202 1262 A CA 1.448 53.346 52.037 -0.233 0.000 0.629 1262 A CB -1.135 17.698 19.000 -0.278 0.000 0.834 1262 A HN 0.235 nan 8.150 nan 0.000 0.447 1263 F N 0.562 120.330 119.950 -0.302 0.000 2.102 1263 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 1263 F C 2.678 178.315 175.800 -0.272 0.000 1.105 1263 F CA 1.842 59.623 58.000 -0.366 0.000 1.239 1263 F CB -0.340 38.318 39.000 -0.571 0.000 0.991 1263 F HN 0.316 nan 8.300 nan 0.000 0.474 1264 R N 0.099 120.501 120.500 -0.163 0.000 2.091 1264 R HA -0.194 4.145 4.340 -0.001 0.000 0.238 1264 R C 2.137 178.322 176.300 -0.191 0.000 1.136 1264 R CA 2.019 57.979 56.100 -0.234 0.000 0.959 1264 R CB -1.624 28.388 30.300 -0.481 0.000 0.856 1264 R HN 0.270 nan 8.270 nan 0.000 0.437 1265 F N 0.974 120.776 119.950 -0.246 0.000 2.206 1265 F HA -0.102 4.424 4.527 -0.001 0.000 0.298 1265 F C 2.372 177.934 175.800 -0.396 0.000 1.090 1265 F CA 0.055 57.846 58.000 -0.347 0.000 1.323 1265 F CB -0.126 38.628 39.000 -0.410 0.000 1.028 1265 F HN 0.024 nan 8.300 nan 0.000 0.492 1266 L N 0.931 122.023 121.223 -0.218 0.000 2.017 1266 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 1266 L C 2.426 179.269 176.870 -0.044 0.000 1.073 1266 L CA 1.747 56.479 54.840 -0.180 0.000 0.745 1266 L CB -0.740 41.202 42.059 -0.195 0.000 0.894 1266 L HN -0.025 nan 8.230 nan 0.000 0.432 1267 R N -0.420 120.070 120.500 -0.017 0.000 2.075 1267 R HA -0.201 4.138 4.340 -0.001 0.000 0.232 1267 R C 2.482 178.753 176.300 -0.048 0.000 1.126 1267 R CA 1.746 57.859 56.100 0.022 0.000 0.963 1267 R CB -0.252 30.096 30.300 0.080 0.000 0.858 1267 R HN 0.392 nan 8.270 nan 0.000 0.435 1268 K N -0.722 119.589 120.400 -0.148 0.000 2.097 1268 K HA -0.181 4.139 4.320 -0.001 0.000 0.206 1268 K C 1.117 177.517 176.600 -0.335 0.000 1.049 1268 K CA 1.636 57.738 56.287 -0.308 0.000 0.933 1268 K CB 0.024 32.219 32.500 -0.509 0.000 0.717 1268 K HN 0.337 nan 8.250 nan 0.000 0.442 1269 Y N -0.133 120.204 120.300 0.062 0.000 2.462 1269 Y HA 0.115 4.664 4.550 -0.001 0.000 0.253 1269 Y C 1.986 177.967 175.900 0.135 0.000 1.095 1269 Y CA -0.204 57.975 58.100 0.132 0.000 1.283 1269 Y CB 0.289 38.892 38.460 0.238 0.000 1.138 1269 Y HN 0.028 nan 8.280 nan 0.000 0.522 1270 R N 0.679 121.307 120.500 0.213 0.000 2.170 1270 R HA -0.149 4.191 4.340 -0.001 0.000 0.242 1270 R C 0.740 177.133 176.300 0.154 0.000 1.145 1270 R CA 1.741 57.969 56.100 0.215 0.000 0.984 1270 R CB -0.290 30.106 30.300 0.161 0.000 0.869 1270 R HN 0.231 nan 8.270 nan 0.000 0.455 1271 E N 0.648 120.841 120.200 -0.011 0.000 2.452 1271 E HA 0.004 4.354 4.350 -0.001 0.000 0.197 1271 E C 1.204 177.574 176.600 -0.384 0.000 1.022 1271 E CA 0.468 56.673 56.400 -0.325 0.000 0.890 1271 E CB 0.453 30.021 29.700 -0.219 0.000 0.918 1271 E HN 0.468 nan 8.360 nan 0.000 0.496 1272 K N -0.601 119.762 120.400 -0.063 0.000 2.313 1272 K HA 0.080 4.399 4.320 -0.001 0.000 0.197 1272 K C 0.033 176.545 176.600 -0.146 0.000 1.061 1272 K CA 0.382 56.573 56.287 -0.159 0.000 0.980 1272 K CB 0.574 32.851 32.500 -0.371 0.000 0.888 1272 K HN -0.071 nan 8.250 nan 0.000 0.502 1273 Y N -1.486 119.009 120.300 0.324 0.000 2.693 1273 Y HA 0.304 4.853 4.550 -0.001 0.000 0.331 1273 Y C -0.569 175.444 175.900 0.188 0.000 1.092 1273 Y CA -1.476 56.731 58.100 0.178 0.000 1.131 1273 Y CB 1.329 39.836 38.460 0.079 0.000 1.318 1273 Y HN -0.178 nan 8.280 nan 0.000 0.510 1274 C N 2.111 121.562 119.300 0.252 0.000 2.225 1274 C HA 0.572 5.031 4.460 -0.001 0.000 0.437 1274 C C 0.035 175.183 174.990 0.263 0.000 1.039 1274 C CA 0.131 59.255 59.018 0.178 0.000 1.406 1274 C CB -2.196 25.593 27.740 0.081 0.000 1.548 1274 C HN 0.686 nan 8.230 nan 0.000 0.515 1275 T N 3.402 118.160 114.554 0.341 0.000 2.901 1275 T HA 0.863 5.212 4.350 -0.001 0.000 0.293 1275 T C -1.020 173.951 174.700 0.452 0.000 1.084 1275 T CA -0.353 61.959 62.100 0.353 0.000 1.008 1275 T CB 1.382 70.435 68.868 0.309 0.000 1.170 1275 T HN 0.868 nan 8.240 nan 0.000 0.509 1276 F N 0.823 120.914 119.950 0.235 0.000 2.741 1276 F HA 0.614 5.140 4.527 -0.001 0.000 0.311 1276 F C -1.544 174.342 175.800 0.143 0.000 1.149 1276 F CA -1.193 56.924 58.000 0.195 0.000 0.930 1276 F CB 1.253 40.467 39.000 0.356 0.000 1.312 1276 F HN 0.481 nan 8.300 nan 0.000 0.450 1277 N N 1.808 120.541 118.700 0.054 0.000 2.417 1277 N HA 0.159 4.898 4.740 -0.001 0.000 0.274 1277 N C -0.305 175.235 175.510 0.050 0.000 0.987 1277 N CA -0.151 52.838 53.050 -0.103 0.000 0.912 1277 N CB 1.757 40.132 38.487 -0.186 0.000 1.177 1277 N HN 0.958 nan 8.380 nan 0.000 0.490 1278 D N 2.375 122.776 120.400 0.002 0.000 2.144 1278 D HA -0.110 4.530 4.640 -0.001 0.000 0.200 1278 D C 0.747 177.125 176.300 0.129 0.000 0.978 1278 D CA 1.367 55.500 54.000 0.221 0.000 0.833 1278 D CB 0.386 41.243 40.800 0.094 0.000 0.961 1278 D HN 0.553 nan 8.370 nan 0.000 0.470 1279 D N -0.452 119.966 120.400 0.030 0.000 2.178 1279 D HA -0.081 4.558 4.640 -0.001 0.000 0.202 1279 D C 2.161 178.425 176.300 -0.060 0.000 0.974 1279 D CA 0.626 54.627 54.000 0.001 0.000 0.841 1279 D CB 0.281 41.067 40.800 -0.024 0.000 0.953 1279 D HN 0.384 nan 8.370 nan 0.000 0.478 1280 I N 0.577 121.059 120.570 -0.146 0.000 2.368 1280 I HA -0.179 3.990 4.170 -0.001 0.000 0.238 1280 I C 2.381 178.389 176.117 -0.181 0.000 1.076 1280 I CA 0.699 61.867 61.300 -0.220 0.000 1.397 1280 I CB -0.101 37.655 38.000 -0.406 0.000 1.141 1280 I HN -0.184 nan 8.210 nan 0.000 0.430 1281 Q N 0.641 120.281 119.800 -0.265 0.000 2.163 1281 Q HA 0.011 4.350 4.340 -0.001 0.000 0.198 1281 Q C 2.254 177.955 176.000 -0.499 0.000 0.954 1281 Q CA 1.253 56.685 55.803 -0.618 0.000 0.851 1281 Q CB -0.248 27.754 28.738 -1.227 0.000 0.928 1281 Q HN 0.581 nan 8.270 nan 0.000 0.459 1282 G N 0.568 109.340 108.800 -0.047 0.000 2.402 1282 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 1282 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 1282 G C 1.401 176.422 174.900 0.202 0.000 1.162 1282 G CA 1.279 46.537 45.100 0.264 0.000 0.777 1282 G HN 0.250 nan 8.290 nan 0.000 0.539 1283 T N 1.913 116.551 114.554 0.139 0.000 2.746 1283 T HA 0.001 4.350 4.350 -0.001 0.000 0.267 1283 T C 2.804 177.582 174.700 0.129 0.000 1.039 1283 T CA 1.472 63.652 62.100 0.132 0.000 1.142 1283 T CB -0.413 68.514 68.868 0.099 0.000 0.866 1283 T HN 0.364 nan 8.240 nan 0.000 0.444 1284 A N 1.742 124.609 122.820 0.079 0.000 1.892 1284 A HA 0.040 4.359 4.320 -0.001 0.000 0.218 1284 A C 2.689 180.362 177.584 0.148 0.000 1.188 1284 A CA 2.068 54.163 52.037 0.096 0.000 0.631 1284 A CB -1.245 17.768 19.000 0.021 0.000 0.822 1284 A HN 0.537 nan 8.150 nan 0.000 0.447 1285 A N -1.024 121.897 122.820 0.170 0.000 1.902 1285 A HA 0.005 4.324 4.320 -0.001 0.000 0.217 1285 A C 2.362 180.064 177.584 0.196 0.000 1.181 1285 A CA 1.818 53.982 52.037 0.211 0.000 0.623 1285 A CB -1.048 18.133 19.000 0.301 0.000 0.818 1285 A HN 0.778 nan 8.150 nan 0.000 0.443 1286 V N -0.347 119.680 119.914 0.189 0.000 2.379 1286 V HA -0.084 4.035 4.120 -0.001 0.000 0.245 1286 V C 2.797 179.056 176.094 0.276 0.000 1.044 1286 V CA 2.108 64.514 62.300 0.176 0.000 1.036 1286 V CB -0.676 31.183 31.823 0.061 0.000 0.664 1286 V HN 0.593 nan 8.190 nan 0.000 0.453 1287 A N -0.090 122.886 122.820 0.261 0.000 1.883 1287 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 1287 A C 2.142 179.956 177.584 0.383 0.000 1.186 1287 A CA 2.238 54.502 52.037 0.380 0.000 0.624 1287 A CB -0.799 18.412 19.000 0.351 0.000 0.822 1287 A HN 0.579 nan 8.150 nan 0.000 0.444 1288 L N -0.185 121.194 121.223 0.261 0.000 2.046 1288 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 1288 L C 2.639 179.617 176.870 0.179 0.000 1.077 1288 L CA 2.217 57.174 54.840 0.196 0.000 0.747 1288 L CB -0.815 41.339 42.059 0.158 0.000 0.896 1288 L HN 0.345 nan 8.230 nan 0.000 0.432 1289 A N -0.461 122.476 122.820 0.196 0.000 1.940 1289 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 1289 A C 2.329 179.936 177.584 0.037 0.000 1.176 1289 A CA 1.669 53.790 52.037 0.140 0.000 0.631 1289 A CB -1.581 17.540 19.000 0.201 0.000 0.814 1289 A HN 0.555 nan 8.150 nan 0.000 0.446 1290 G N -0.431 108.432 108.800 0.105 0.000 2.408 1290 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.217 1290 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.217 1290 G C 1.514 176.488 174.900 0.123 0.000 1.150 1290 G CA 0.900 45.941 45.100 -0.099 0.000 0.776 1290 G HN 0.441 nan 8.290 nan 0.000 0.542 1291 L N -0.340 120.993 121.223 0.183 0.000 2.093 1291 L HA 0.009 4.348 4.340 -0.001 0.000 0.208 1291 L C 2.667 179.582 176.870 0.075 0.000 1.085 1291 L CA 0.212 55.108 54.840 0.094 0.000 0.755 1291 L CB -0.341 41.746 42.059 0.047 0.000 0.904 1291 L HN 0.133 nan 8.230 nan 0.000 0.435 1292 L N -0.107 121.151 121.223 0.057 0.000 2.141 1292 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 1292 L C 2.696 179.568 176.870 0.003 0.000 1.094 1292 L CA 1.789 56.651 54.840 0.035 0.000 0.763 1292 L CB -1.067 41.012 42.059 0.034 0.000 0.908 1292 L HN 0.146 nan 8.230 nan 0.000 0.437 1293 A N -0.784 122.016 122.820 -0.034 0.000 1.874 1293 A HA 0.004 4.323 4.320 -0.001 0.000 0.214 1293 A C 2.485 180.054 177.584 -0.025 0.000 1.189 1293 A CA 1.283 53.281 52.037 -0.064 0.000 0.615 1293 A CB -0.842 18.052 19.000 -0.177 0.000 0.830 1293 A HN 0.327 nan 8.150 nan 0.000 0.443 1294 A N -0.656 122.166 122.820 0.003 0.000 1.972 1294 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 1294 A C 2.111 179.700 177.584 0.008 0.000 1.169 1294 A CA 1.783 53.837 52.037 0.028 0.000 0.635 1294 A CB -0.628 18.410 19.000 0.063 0.000 0.810 1294 A HN 0.654 nan 8.150 nan 0.000 0.446 1295 Q N -0.519 119.286 119.800 0.009 0.000 2.376 1295 Q HA -0.200 4.139 4.340 -0.001 0.000 0.211 1295 Q C 1.279 177.269 176.000 -0.017 0.000 0.986 1295 Q CA 1.373 57.169 55.803 -0.013 0.000 0.886 1295 Q CB 0.014 28.758 28.738 0.009 0.000 0.927 1295 Q HN 0.464 nan 8.270 nan 0.000 0.457 1296 K N -0.448 119.948 120.400 -0.007 0.000 2.305 1296 K HA -0.033 4.286 4.320 -0.001 0.000 0.199 1296 K C 1.832 178.432 176.600 -0.001 0.000 1.047 1296 K CA 1.083 57.368 56.287 -0.003 0.000 0.976 1296 K CB 0.416 32.916 32.500 -0.001 0.000 0.765 1296 K HN 0.319 nan 8.250 nan 0.000 0.474 1297 V N -3.026 116.889 119.914 0.001 0.000 3.661 1297 V HA 0.197 4.316 4.120 -0.001 0.000 0.271 1297 V C 1.655 177.744 176.094 -0.008 0.000 1.315 1297 V CA 0.202 62.506 62.300 0.008 0.000 1.072 1297 V CB -0.210 31.630 31.823 0.028 0.000 0.830 1297 V HN -0.002 nan 8.190 nan 0.000 0.443 1298 I N -0.065 120.487 120.570 -0.030 0.000 2.899 1298 I HA 0.125 4.294 4.170 -0.001 0.000 0.257 1298 I C 2.167 178.246 176.117 -0.064 0.000 1.115 1298 I CA 0.968 62.233 61.300 -0.059 0.000 1.451 1298 I CB 0.123 38.056 38.000 -0.111 0.000 1.251 1298 I HN 0.348 nan 8.210 nan 0.000 0.456 1299 S N -0.236 115.425 115.700 -0.065 0.000 1.906 1299 S HA -0.233 4.236 4.470 -0.001 0.000 0.229 1299 S C 0.598 175.155 174.600 -0.072 0.000 1.003 1299 S CA 1.189 59.357 58.200 -0.053 0.000 1.559 1299 S CB -1.193 61.988 63.200 -0.032 0.000 2.023 1299 S HN 0.386 nan 8.310 nan 0.000 0.555 1300 K N 2.278 122.621 120.400 -0.094 0.000 2.619 1300 K HA -0.036 4.283 4.320 -0.001 0.000 0.278 1300 K C -2.657 173.884 176.600 -0.098 0.000 0.969 1300 K CA 0.025 56.254 56.287 -0.098 0.000 1.042 1300 K CB -0.371 32.053 32.500 -0.128 0.000 0.845 1300 K HN 0.231 nan 8.250 nan 0.000 0.497 1301 P HA -0.078 nan 4.420 nan 0.000 0.263 1301 P C 0.779 178.069 177.300 -0.017 0.000 1.195 1301 P CA -0.032 63.052 63.100 -0.027 0.000 0.762 1301 P CB 0.343 32.038 31.700 -0.009 0.000 0.799 1302 I N 2.823 123.404 120.570 0.017 0.000 2.657 1302 I HA -0.208 3.961 4.170 -0.001 0.000 0.261 1302 I C 1.862 178.043 176.117 0.107 0.000 1.212 1302 I CA 1.748 63.102 61.300 0.090 0.000 1.453 1302 I CB -1.083 36.980 38.000 0.106 0.000 1.092 1302 I HN 0.343 nan 8.210 nan 0.000 0.452 1303 S N 1.373 117.110 115.700 0.063 0.000 2.368 1303 S HA -0.192 4.277 4.470 -0.001 0.000 0.225 1303 S C 1.333 175.974 174.600 0.069 0.000 1.030 1303 S CA 1.068 59.303 58.200 0.059 0.000 0.999 1303 S CB -0.653 62.569 63.200 0.036 0.000 0.844 1303 S HN 0.716 nan 8.310 nan 0.000 0.459 1304 E N 0.347 120.578 120.200 0.053 0.000 2.335 1304 E HA 0.162 4.511 4.350 -0.001 0.000 0.191 1304 E C -0.111 176.546 176.600 0.095 0.000 1.077 1304 E CA -0.343 56.087 56.400 0.050 0.000 1.010 1304 E CB -0.530 29.176 29.700 0.010 0.000 1.141 1304 E HN 0.739 nan 8.360 nan 0.000 0.452 1305 H N 1.345 120.424 119.070 0.014 0.000 2.661 1305 H HA 0.242 4.797 4.556 -0.001 0.000 0.290 1305 H C -0.994 174.351 175.328 0.030 0.000 1.082 1305 H CA -1.104 54.948 56.048 0.005 0.000 1.234 1305 H CB 0.853 30.616 29.762 0.001 0.000 1.387 1305 H HN -0.093 nan 8.280 nan 0.000 0.476 1306 K N 5.587 126.074 120.400 0.145 0.000 2.253 1306 K HA 0.225 4.544 4.320 -0.001 0.000 0.277 1306 K C -1.030 175.569 176.600 -0.003 0.000 1.053 1306 K CA -0.558 55.785 56.287 0.093 0.000 0.892 1306 K CB 0.283 32.828 32.500 0.075 0.000 1.102 1306 K HN 0.460 nan 8.250 nan 0.000 0.469 1307 I N 5.688 126.266 120.570 0.012 0.000 2.336 1307 I HA 0.344 4.513 4.170 -0.001 0.000 0.292 1307 I C -0.812 175.333 176.117 0.045 0.000 0.991 1307 I CA -1.116 60.119 61.300 -0.108 0.000 1.227 1307 I CB 0.826 38.713 38.000 -0.189 0.000 1.366 1307 I HN 0.527 nan 8.210 nan 0.000 0.466 1308 L N 7.331 128.522 121.223 -0.053 0.000 2.349 1308 L HA 0.602 4.942 4.340 -0.001 0.000 0.278 1308 L C -1.380 175.559 176.870 0.115 0.000 0.996 1308 L CA -0.102 54.819 54.840 0.134 0.000 0.825 1308 L CB 1.362 43.450 42.059 0.050 0.000 1.243 1308 L HN 0.228 nan 8.230 nan 0.000 0.412 1309 F N 4.850 124.986 119.950 0.310 0.000 2.399 1309 F HA 0.519 5.045 4.527 -0.001 0.000 0.334 1309 F C -0.173 175.844 175.800 0.363 0.000 1.097 1309 F CA -0.436 57.730 58.000 0.277 0.000 1.076 1309 F CB 1.728 40.821 39.000 0.154 0.000 1.162 1309 F HN 0.369 nan 8.300 nan 0.000 0.495 1310 L N 3.455 124.918 121.223 0.400 0.000 2.283 1310 L HA 0.770 5.109 4.340 -0.001 0.000 0.281 1310 L C -0.137 176.824 176.870 0.153 0.000 1.033 1310 L CA 0.056 54.953 54.840 0.094 0.000 0.848 1310 L CB 0.159 42.006 42.059 -0.353 0.000 1.226 1310 L HN 0.720 nan 8.230 nan 0.000 0.429 1311 G N 3.716 112.648 108.800 0.220 0.000 2.674 1311 G HA2 0.397 4.356 3.960 -0.001 0.000 0.686 1311 G HA3 0.397 4.356 3.960 -0.001 0.000 0.686 1311 G C -0.602 174.372 174.900 0.123 0.000 1.195 1311 G CA -0.387 44.795 45.100 0.138 0.000 0.776 1311 G HN 1.421 nan 8.290 nan 0.000 0.654 1312 A N 0.775 123.633 122.820 0.065 0.000 3.234 1312 A HA 0.840 5.159 4.320 -0.001 0.000 0.247 1312 A C 0.942 178.529 177.584 0.005 0.000 0.938 1312 A CA 0.987 53.021 52.037 -0.004 0.000 1.039 1312 A CB 0.003 19.020 19.000 0.028 0.000 1.197 1312 A HN 2.238 nan 8.150 nan 0.000 0.498 1313 G N -0.597 108.219 108.800 0.026 0.000 2.940 1313 G HA2 0.425 4.384 3.960 -0.001 0.000 0.164 1313 G HA3 0.425 4.384 3.960 -0.001 0.000 0.164 1313 G C 0.587 175.583 174.900 0.161 0.000 1.326 1313 G CA 0.109 45.267 45.100 0.098 0.000 1.020 1313 G HN 0.318 nan 8.290 nan 0.000 0.586 1314 E N -0.226 120.066 120.200 0.154 0.000 2.049 1314 E HA -0.215 4.134 4.350 -0.001 0.000 0.198 1314 E C 2.755 179.334 176.600 -0.035 0.000 1.007 1314 E CA 1.506 57.897 56.400 -0.016 0.000 0.809 1314 E CB -0.219 29.377 29.700 -0.174 0.000 0.749 1314 E HN 0.369 nan 8.360 nan 0.000 0.450 1315 A N 1.213 124.023 122.820 -0.018 0.000 1.897 1315 A HA -0.010 4.309 4.320 -0.001 0.000 0.215 1315 A C 2.369 179.929 177.584 -0.040 0.000 1.181 1315 A CA 1.509 53.543 52.037 -0.005 0.000 0.620 1315 A CB -0.631 18.392 19.000 0.038 0.000 0.821 1315 A HN 0.290 nan 8.150 nan 0.000 0.443 1316 A N 0.042 122.795 122.820 -0.111 0.000 1.858 1316 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 1316 A C 2.173 179.389 177.584 -0.614 0.000 1.190 1316 A CA 1.595 53.351 52.037 -0.469 0.000 0.617 1316 A CB -0.758 17.976 19.000 -0.444 0.000 0.827 1316 A HN 0.464 nan 8.150 nan 0.000 0.443 1317 L N -0.688 120.356 121.223 -0.299 0.000 2.083 1317 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 1317 L C 2.829 179.653 176.870 -0.077 0.000 1.083 1317 L CA 1.103 55.830 54.840 -0.189 0.000 0.752 1317 L CB -0.846 41.254 42.059 0.069 0.000 0.899 1317 L HN 0.517 nan 8.230 nan 0.000 0.433 1318 G N 0.330 109.116 108.800 -0.022 0.000 2.404 1318 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.215 1318 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.215 1318 G C 1.580 176.475 174.900 -0.009 0.000 1.174 1318 G CA 0.673 45.766 45.100 -0.012 0.000 0.780 1318 G HN 0.272 nan 8.290 nan 0.000 0.537 1319 I N 1.468 122.028 120.570 -0.017 0.000 2.142 1319 I HA -0.171 3.998 4.170 -0.001 0.000 0.240 1319 I C 3.337 179.505 176.117 0.085 0.000 1.078 1319 I CA 1.012 62.370 61.300 0.097 0.000 1.343 1319 I CB -0.348 37.816 38.000 0.273 0.000 1.046 1319 I HN 0.236 nan 8.210 nan 0.000 0.405 1320 A N 1.108 123.842 122.820 -0.143 0.000 1.892 1320 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 1320 A C 2.137 179.761 177.584 0.067 0.000 1.188 1320 A CA 2.169 54.084 52.037 -0.204 0.000 0.631 1320 A CB -0.889 17.445 19.000 -1.110 0.000 0.822 1320 A HN 0.464 nan 8.150 nan 0.000 0.447 1321 N N -0.574 118.197 118.700 0.119 0.000 2.149 1321 N HA -0.143 4.596 4.740 -0.001 0.000 0.188 1321 N C 1.617 177.237 175.510 0.183 0.000 1.019 1321 N CA 1.598 54.798 53.050 0.250 0.000 0.857 1321 N CB -0.329 38.296 38.487 0.229 0.000 0.997 1321 N HN 0.413 nan 8.380 nan 0.000 0.426 1322 L N 1.384 122.691 121.223 0.139 0.000 2.156 1322 L HA 0.084 4.423 4.340 -0.001 0.000 0.208 1322 L C 2.025 178.979 176.870 0.140 0.000 1.095 1322 L CA 0.900 55.820 54.840 0.135 0.000 0.770 1322 L CB -0.310 41.823 42.059 0.124 0.000 0.914 1322 L HN 0.066 nan 8.230 nan 0.000 0.439 1323 I N -1.412 119.249 120.570 0.151 0.000 2.179 1323 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 1323 I C 1.313 177.519 176.117 0.148 0.000 1.088 1323 I CA 0.342 61.728 61.300 0.144 0.000 1.357 1323 I CB -0.362 37.728 38.000 0.150 0.000 1.051 1323 I HN -0.080 nan 8.210 nan 0.000 0.409 1329 E N 1.012 121.249 120.200 0.063 0.000 2.427 1329 E HA -0.057 4.292 4.350 -0.001 0.000 0.196 1329 E C 0.830 177.461 176.600 0.052 0.000 1.028 1329 E CA 0.858 57.293 56.400 0.060 0.000 0.864 1329 E CB 0.168 29.908 29.700 0.066 0.000 0.813 1329 E HN 0.603 nan 8.360 nan 0.000 0.514 1330 N N -0.525 118.206 118.700 0.052 0.000 2.275 1330 N HA 0.119 4.859 4.740 -0.001 0.000 0.236 1330 N C 0.481 176.016 175.510 0.040 0.000 1.154 1330 N CA 0.692 53.770 53.050 0.046 0.000 0.866 1330 N CB 1.515 40.031 38.487 0.049 0.000 1.093 1330 N HN 0.300 nan 8.380 nan 0.000 0.515 1331 G N 0.312 109.135 108.800 0.039 0.000 2.953 1331 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.201 1331 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.201 1331 G C -0.093 174.826 174.900 0.032 0.000 1.501 1331 G CA -0.515 44.604 45.100 0.033 0.000 1.094 1331 G HN 0.180 nan 8.290 nan 0.000 0.555 1332 L N 2.585 123.830 121.223 0.037 0.000 2.498 1332 L HA 0.429 4.768 4.340 -0.001 0.000 0.293 1332 L C 1.531 178.420 176.870 0.032 0.000 1.271 1332 L CA 1.133 55.994 54.840 0.035 0.000 0.831 1332 L CB 0.316 42.402 42.059 0.044 0.000 1.091 1332 L HN 0.852 nan 8.230 nan 0.000 0.535 1333 S N -0.551 115.163 115.700 0.024 0.000 2.617 1333 S HA 0.283 4.752 4.470 -0.001 0.000 0.283 1333 S C 0.822 175.432 174.600 0.018 0.000 1.189 1333 S CA -0.513 57.697 58.200 0.018 0.000 1.036 1333 S CB 1.246 64.451 63.200 0.007 0.000 1.014 1333 S HN 0.692 nan 8.310 nan 0.000 0.522 1334 E N 0.515 120.723 120.200 0.013 0.000 2.097 1334 E HA -0.311 4.038 4.350 -0.001 0.000 0.196 1334 E C 1.852 178.442 176.600 -0.017 0.000 1.000 1334 E CA 1.652 58.056 56.400 0.007 0.000 0.804 1334 E CB -0.170 29.528 29.700 -0.004 0.000 0.740 1334 E HN 0.770 nan 8.360 nan 0.000 0.454 1335 Q N 0.879 120.664 119.800 -0.027 0.000 2.050 1335 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 1335 Q C 1.905 177.883 176.000 -0.036 0.000 0.980 1335 Q CA 2.464 58.241 55.803 -0.043 0.000 0.840 1335 Q CB -0.133 28.582 28.738 -0.038 0.000 0.898 1335 Q HN 0.556 nan 8.270 nan 0.000 0.424 1336 E N -1.063 119.128 120.200 -0.016 0.000 2.158 1336 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 1336 E C 1.873 178.480 176.600 0.010 0.000 0.982 1336 E CA 0.821 57.214 56.400 -0.011 0.000 0.823 1336 E CB -0.346 29.355 29.700 0.000 0.000 0.766 1336 E HN 0.338 nan 8.360 nan 0.000 0.468 1337 A N 1.751 124.590 122.820 0.033 0.000 1.902 1337 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 1337 A C 2.201 179.848 177.584 0.105 0.000 1.181 1337 A CA 1.690 53.770 52.037 0.072 0.000 0.623 1337 A CB -0.520 18.530 19.000 0.083 0.000 0.818 1337 A HN 0.304 nan 8.150 nan 0.000 0.443 1338 Q N -0.294 119.549 119.800 0.072 0.000 2.119 1338 Q HA -0.149 4.190 4.340 -0.001 0.000 0.201 1338 Q C 1.917 178.000 176.000 0.138 0.000 0.972 1338 Q CA 1.527 57.394 55.803 0.106 0.000 0.847 1338 Q CB -0.216 28.438 28.738 -0.139 0.000 0.903 1338 Q HN 0.645 nan 8.270 nan 0.000 0.433 1339 K N 1.075 121.455 120.400 -0.033 0.000 2.211 1339 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 1339 K C 1.535 178.007 176.600 -0.213 0.000 1.047 1339 K CA 1.085 57.163 56.287 -0.347 0.000 0.935 1339 K CB -0.016 32.314 32.500 -0.283 0.000 0.728 1339 K HN 0.162 nan 8.250 nan 0.000 0.452 1340 K N 0.479 120.901 120.400 0.037 0.000 2.525 1340 K HA 0.076 4.395 4.320 -0.001 0.000 0.192 1340 K C 0.271 177.026 176.600 0.258 0.000 1.029 1340 K CA 0.470 56.848 56.287 0.151 0.000 1.029 1340 K CB 0.087 32.665 32.500 0.131 0.000 0.814 1340 K HN 0.123 nan 8.250 nan 0.000 0.503 1341 I N 0.540 121.287 120.570 0.295 0.000 2.436 1341 I HA 0.282 4.451 4.170 -0.001 0.000 0.289 1341 I C -0.838 175.520 176.117 0.400 0.000 1.010 1341 I CA -0.966 60.579 61.300 0.408 0.000 1.098 1341 I CB 1.017 39.290 38.000 0.455 0.000 1.266 1341 I HN -0.037 nan 8.210 nan 0.000 0.434 1345 D N 4.207 124.680 120.400 0.120 0.000 2.595 1345 D HA 0.245 4.884 4.640 -0.001 0.000 0.268 1345 D C 0.749 177.053 176.300 0.007 0.000 1.181 1345 D CA -0.418 53.649 54.000 0.112 0.000 1.085 1345 D CB 0.530 41.374 40.800 0.073 0.000 1.186 1345 D HN 0.586 nan 8.370 nan 0.000 0.621 1346 K N -1.062 119.274 120.400 -0.107 0.000 2.442 1346 K HA -0.159 4.160 4.320 -0.001 0.000 0.199 1346 K C 0.847 177.187 176.600 -0.433 0.000 1.044 1346 K CA 1.270 57.392 56.287 -0.276 0.000 0.941 1346 K CB -0.546 31.682 32.500 -0.453 0.000 0.759 1346 K HN 0.434 nan 8.250 nan 0.000 0.472 1347 Y N 0.461 120.715 120.300 -0.075 0.000 2.444 1347 Y HA 0.254 4.803 4.550 -0.001 0.000 0.249 1347 Y C 1.125 176.882 175.900 -0.239 0.000 1.134 1347 Y CA -0.054 57.983 58.100 -0.105 0.000 1.261 1347 Y CB 1.580 39.995 38.460 -0.075 0.000 1.143 1347 Y HN 0.351 nan 8.280 nan 0.000 0.523 1348 G N 0.460 108.989 108.800 -0.451 0.000 2.331 1348 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.479 1348 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.479 1348 G C -1.761 172.531 174.900 -1.012 0.000 1.262 1348 G CA -1.072 43.413 45.100 -1.025 0.000 1.029 1348 G HN -0.008 nan 8.290 nan 0.000 0.487 1349 L N 0.479 121.330 121.223 -0.621 0.000 2.453 1349 L HA 0.542 4.882 4.340 -0.001 0.000 0.272 1349 L C 0.751 177.650 176.870 0.049 0.000 1.182 1349 L CA -0.154 54.668 54.840 -0.030 0.000 0.858 1349 L CB 0.338 42.538 42.059 0.234 0.000 1.120 1349 L HN 0.472 nan 8.230 nan 0.000 0.474 1350 L N 6.885 128.196 121.223 0.146 0.000 2.363 1350 L HA 0.336 4.676 4.340 -0.001 0.000 0.286 1350 L C -0.435 176.498 176.870 0.105 0.000 1.106 1350 L CA -0.539 54.357 54.840 0.093 0.000 0.859 1350 L CB 0.273 42.377 42.059 0.075 0.000 1.223 1350 L HN 0.553 nan 8.230 nan 0.000 0.446 1351 V N 0.489 120.454 119.914 0.084 0.000 2.789 1351 V HA 0.464 4.584 4.120 -0.001 0.000 0.311 1351 V C -0.120 175.994 176.094 0.033 0.000 1.073 1351 V CA -1.405 60.952 62.300 0.094 0.000 0.921 1351 V CB 1.764 33.691 31.823 0.174 0.000 1.009 1351 V HN 0.571 nan 8.190 nan 0.000 0.426 1352 K N 2.333 122.743 120.400 0.015 0.000 2.524 1352 K HA 0.383 4.702 4.320 -0.001 0.000 0.279 1352 K C 1.289 177.893 176.600 0.006 0.000 0.993 1352 K CA 1.107 57.392 56.287 -0.004 0.000 1.030 1352 K CB 0.171 32.669 32.500 -0.004 0.000 0.891 1352 K HN 1.690 nan 8.250 nan 0.000 0.488 1353 G N 1.905 110.699 108.800 -0.009 0.000 2.184 1353 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.264 1353 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.264 1353 G C 0.151 175.045 174.900 -0.010 0.000 0.975 1353 G CA 0.685 45.780 45.100 -0.009 0.000 0.642 1353 G HN 0.753 nan 8.290 nan 0.000 0.536 1354 R N 0.128 120.622 120.500 -0.009 0.000 2.774 1354 R HA 0.566 4.905 4.340 -0.001 0.000 0.269 1354 R C 1.395 177.670 176.300 -0.041 0.000 1.068 1354 R CA 0.399 56.490 56.100 -0.015 0.000 1.180 1354 R CB 0.526 30.820 30.300 -0.009 0.000 1.077 1354 R HN 0.144 nan 8.270 nan 0.000 0.513 1355 K N 0.536 120.904 120.400 -0.053 0.000 2.097 1355 K HA -0.022 4.297 4.320 -0.001 0.000 0.205 1355 K C 0.652 177.170 176.600 -0.137 0.000 1.050 1355 K CA 1.201 57.439 56.287 -0.082 0.000 0.938 1355 K CB -0.031 32.423 32.500 -0.077 0.000 0.718 1355 K HN 0.699 nan 8.250 nan 0.000 0.442 1356 A N 3.106 125.823 122.820 -0.172 0.000 2.425 1356 A HA 0.087 4.406 4.320 -0.001 0.000 0.249 1356 A C -0.101 177.386 177.584 -0.162 0.000 1.084 1356 A CA -0.558 51.312 52.037 -0.279 0.000 0.781 1356 A CB 0.258 19.064 19.000 -0.323 0.000 1.019 1356 A HN 0.081 nan 8.150 nan 0.000 0.490 1357 K N 1.713 122.013 120.400 -0.166 0.000 2.469 1357 K HA 0.169 4.488 4.320 -0.001 0.000 0.274 1357 K C -0.832 175.737 176.600 -0.053 0.000 0.983 1357 K CA 0.632 56.863 56.287 -0.094 0.000 0.974 1357 K CB 0.215 32.664 32.500 -0.084 0.000 0.913 1357 K HN 0.484 nan 8.250 nan 0.000 0.493 1358 I N 2.740 123.283 120.570 -0.046 0.000 2.439 1358 I HA 0.017 4.187 4.170 -0.001 0.000 0.283 1358 I C -0.178 175.914 176.117 -0.041 0.000 1.023 1358 I CA -0.992 60.287 61.300 -0.035 0.000 1.100 1358 I CB 1.584 39.559 38.000 -0.042 0.000 1.238 1358 I HN 0.691 nan 8.210 nan 0.000 0.445 1359 D N 3.627 124.009 120.400 -0.030 0.000 2.377 1359 D HA 0.035 4.674 4.640 -0.001 0.000 0.245 1359 D C 1.273 177.529 176.300 -0.072 0.000 1.196 1359 D CA -0.390 53.588 54.000 -0.037 0.000 0.962 1359 D CB 0.901 41.696 40.800 -0.009 0.000 1.127 1359 D HN 0.348 nan 8.370 nan 0.000 0.471 1360 S N -0.305 115.325 115.700 -0.116 0.000 2.372 1360 S HA -0.284 4.186 4.470 -0.001 0.000 0.227 1360 S C 1.828 176.246 174.600 -0.304 0.000 1.044 1360 S CA 1.201 59.258 58.200 -0.238 0.000 1.050 1360 S CB -0.783 62.210 63.200 -0.346 0.000 0.901 1360 S HN 0.546 nan 8.310 nan 0.000 0.447 1361 Y N 1.425 121.600 120.300 -0.207 0.000 2.293 1361 Y HA 0.006 4.555 4.550 -0.001 0.000 0.291 1361 Y C 2.780 178.639 175.900 -0.068 0.000 1.137 1361 Y CA 1.361 59.339 58.100 -0.203 0.000 1.202 1361 Y CB -0.303 37.865 38.460 -0.487 0.000 0.990 1361 Y HN 0.410 nan 8.280 nan 0.000 0.537 1362 Q N -0.330 119.505 119.800 0.059 0.000 2.137 1362 Q HA -0.164 4.175 4.340 -0.001 0.000 0.198 1362 Q C 2.177 178.196 176.000 0.032 0.000 0.960 1362 Q CA 0.789 56.655 55.803 0.104 0.000 0.847 1362 Q CB -0.126 28.634 28.738 0.036 0.000 0.915 1362 Q HN 0.383 nan 8.270 nan 0.000 0.448 1363 E N 1.183 121.341 120.200 -0.070 0.000 2.132 1363 E HA -0.239 4.110 4.350 -0.001 0.000 0.218 1363 E C -0.898 175.567 176.600 -0.224 0.000 1.058 1363 E CA 2.108 58.427 56.400 -0.135 0.000 0.882 1363 E CB -1.050 28.564 29.700 -0.143 0.000 0.774 1363 E HN 0.231 nan 8.360 nan 0.000 0.467 1364 P HA -0.130 nan 4.420 nan 0.000 0.220 1364 P C 0.562 177.412 177.300 -0.750 0.000 1.144 1364 P CA 1.291 64.053 63.100 -0.564 0.000 0.800 1364 P CB -0.263 30.986 31.700 -0.751 0.000 0.772 1365 F N -2.668 117.144 119.950 -0.231 0.000 2.639 1365 F HA 0.195 4.721 4.527 -0.001 0.000 0.302 1365 F C 0.570 175.912 175.800 -0.764 0.000 1.097 1365 F CA -0.085 57.672 58.000 -0.404 0.000 1.294 1365 F CB -0.294 38.593 39.000 -0.187 0.000 1.027 1365 F HN -0.362 nan 8.300 nan 0.000 0.550 1366 T N 1.673 115.929 114.554 -0.496 0.000 2.753 1366 T HA 0.296 4.645 4.350 -0.001 0.000 0.297 1366 T C -0.221 174.182 174.700 -0.494 0.000 0.981 1366 T CA -0.344 61.507 62.100 -0.416 0.000 0.956 1366 T CB 0.330 69.095 68.868 -0.173 0.000 0.936 1366 T HN 0.073 nan 8.240 nan 0.000 0.463 1367 H N 0.757 119.675 119.070 -0.253 0.000 2.630 1367 H HA 0.467 5.022 4.556 -0.001 0.000 0.343 1367 H C 0.300 175.591 175.328 -0.062 0.000 1.232 1367 H CA -1.138 54.747 56.048 -0.271 0.000 1.294 1367 H CB 0.814 30.186 29.762 -0.651 0.000 1.746 1367 H HN 0.403 nan 8.280 nan 0.000 0.593 1368 S N 0.514 116.297 115.700 0.138 0.000 2.533 1368 S HA 0.255 4.724 4.470 -0.001 0.000 0.282 1368 S C 0.473 175.215 174.600 0.236 0.000 1.304 1368 S CA -0.573 57.710 58.200 0.138 0.000 1.063 1368 S CB 0.278 63.539 63.200 0.102 0.000 0.881 1368 S HN 0.723 nan 8.310 nan 0.000 0.493 1369 A N 5.501 128.438 122.820 0.195 0.000 2.567 1369 A HA 0.297 4.617 4.320 -0.001 0.000 0.240 1369 A C -1.781 175.919 177.584 0.192 0.000 1.053 1369 A CA -0.700 51.465 52.037 0.215 0.000 0.755 1369 A CB -0.679 18.400 19.000 0.132 0.000 0.978 1369 A HN 0.532 nan 8.150 nan 0.000 0.507 1370 P HA 0.190 nan 4.420 nan 0.000 0.275 1370 P C 0.839 178.176 177.300 0.060 0.000 1.270 1370 P CA -0.412 62.752 63.100 0.107 0.000 0.791 1370 P CB 0.439 32.142 31.700 0.005 0.000 1.089 1371 E N -0.377 119.843 120.200 0.034 0.000 2.095 1371 E HA -0.171 4.178 4.350 -0.001 0.000 0.212 1371 E C 0.442 177.055 176.600 0.021 0.000 1.044 1371 E CA 1.887 58.300 56.400 0.022 0.000 0.857 1371 E CB -0.493 29.211 29.700 0.007 0.000 0.764 1371 E HN 0.534 nan 8.360 nan 0.000 0.462 1372 S N -0.826 114.880 115.700 0.010 0.000 2.536 1372 S HA 0.580 5.049 4.470 -0.001 0.000 0.298 1372 S C -0.474 174.139 174.600 0.021 0.000 1.083 1372 S CA -1.003 57.205 58.200 0.013 0.000 0.995 1372 S CB 1.682 64.883 63.200 0.002 0.000 1.058 1372 S HN 0.004 nan 8.310 nan 0.000 0.488 1373 I N 2.922 123.515 120.570 0.037 0.000 2.301 1373 I HA 0.366 4.536 4.170 -0.001 0.000 0.292 1373 I C -2.194 173.964 176.117 0.068 0.000 1.046 1373 I CA -2.027 59.308 61.300 0.057 0.000 1.282 1373 I CB 0.249 38.286 38.000 0.062 0.000 1.409 1373 I HN 0.511 nan 8.210 nan 0.000 0.484 1374 P HA -0.012 nan 4.420 nan 0.000 0.264 1374 P C 0.267 177.684 177.300 0.196 0.000 1.183 1374 P CA 0.229 63.402 63.100 0.122 0.000 0.763 1374 P CB 0.739 32.526 31.700 0.146 0.000 0.807 1375 D N 1.035 121.533 120.400 0.164 0.000 2.201 1375 D HA -0.048 4.591 4.640 -0.001 0.000 0.209 1375 D C 0.525 177.002 176.300 0.294 0.000 0.961 1375 D CA 0.969 55.078 54.000 0.182 0.000 0.861 1375 D CB 0.297 41.164 40.800 0.112 0.000 0.997 1375 D HN 0.481 nan 8.370 nan 0.000 0.486 1376 T N -3.780 110.915 114.554 0.234 0.000 2.927 1376 T HA 0.238 4.587 4.350 -0.001 0.000 0.286 1376 T C 0.662 175.337 174.700 -0.042 0.000 1.040 1376 T CA -0.800 61.422 62.100 0.204 0.000 1.010 1376 T CB 0.694 69.621 68.868 0.099 0.000 1.177 1376 T HN -0.043 nan 8.240 nan 0.000 0.546 1377 F N 0.521 120.182 119.950 -0.483 0.000 2.234 1377 F HA 0.095 4.621 4.527 -0.001 0.000 0.299 1377 F C 2.410 178.001 175.800 -0.348 0.000 1.087 1377 F CA 1.601 59.141 58.000 -0.767 0.000 1.340 1377 F CB -0.230 38.407 39.000 -0.605 0.000 1.031 1377 F HN 0.888 nan 8.300 nan 0.000 0.500 1378 E N -0.015 120.084 120.200 -0.168 0.000 2.077 1378 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 1378 E C 1.743 178.208 176.600 -0.225 0.000 0.989 1378 E CA 1.648 57.939 56.400 -0.181 0.000 0.800 1378 E CB -0.167 29.495 29.700 -0.064 0.000 0.746 1378 E HN 0.371 nan 8.360 nan 0.000 0.452 1379 D N 0.333 120.641 120.400 -0.154 0.000 2.117 1379 D HA -0.160 4.480 4.640 -0.001 0.000 0.197 1379 D C 1.859 178.050 176.300 -0.181 0.000 0.987 1379 D CA 1.307 55.236 54.000 -0.119 0.000 0.829 1379 D CB -0.328 40.453 40.800 -0.032 0.000 0.961 1379 D HN 0.293 nan 8.370 nan 0.000 0.460 1380 A N 0.874 123.546 122.820 -0.247 0.000 1.940 1380 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 1380 A C 2.560 179.899 177.584 -0.408 0.000 1.176 1380 A CA 1.224 53.089 52.037 -0.287 0.000 0.631 1380 A CB -0.698 18.126 19.000 -0.293 0.000 0.814 1380 A HN 0.155 nan 8.150 nan 0.000 0.446 1381 V N 0.969 120.570 119.914 -0.523 0.000 2.343 1381 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 1381 V C 2.262 178.182 176.094 -0.291 0.000 1.051 1381 V CA 2.095 64.123 62.300 -0.454 0.000 1.036 1381 V CB -0.896 30.652 31.823 -0.460 0.000 0.654 1381 V HN 0.576 nan 8.190 nan 0.000 0.451 1382 N N 0.032 118.591 118.700 -0.235 0.000 2.171 1382 N HA -0.047 4.692 4.740 -0.001 0.000 0.184 1382 N C 1.816 177.229 175.510 -0.162 0.000 1.021 1382 N CA 1.281 54.230 53.050 -0.168 0.000 0.854 1382 N CB -0.141 38.268 38.487 -0.129 0.000 0.994 1382 N HN 0.311 nan 8.380 nan 0.000 0.426 1383 I N 1.734 122.199 120.570 -0.175 0.000 2.090 1383 I HA -0.186 3.983 4.170 -0.001 0.000 0.236 1383 I C 2.309 178.291 176.117 -0.225 0.000 1.064 1383 I CA 1.050 62.247 61.300 -0.171 0.000 1.324 1383 I CB -1.212 36.689 38.000 -0.166 0.000 1.044 1383 I HN 0.061 nan 8.210 nan 0.000 0.399 1384 L N 0.136 121.169 121.223 -0.317 0.000 2.291 1384 L HA -0.091 4.248 4.340 -0.001 0.000 0.214 1384 L C 0.681 177.389 176.870 -0.269 0.000 1.120 1384 L CA 0.415 55.012 54.840 -0.405 0.000 0.799 1384 L CB -0.520 41.174 42.059 -0.608 0.000 0.925 1384 L HN 0.302 nan 8.230 nan 0.000 0.446 1385 K N -0.287 119.977 120.400 -0.227 0.000 3.451 1385 K HA -0.157 4.162 4.320 -0.001 0.000 0.273 1385 K C -2.191 174.323 176.600 -0.143 0.000 0.944 1385 K CA -0.189 55.997 56.287 -0.169 0.000 0.734 1385 K CB -1.483 30.943 32.500 -0.123 0.000 1.437 1385 K HN 0.309 nan 8.250 nan 0.000 0.454 1386 P HA -0.017 nan 4.420 nan 0.000 0.272 1386 P C 0.509 177.756 177.300 -0.087 0.000 1.230 1386 P CA -0.025 63.006 63.100 -0.114 0.000 0.788 1386 P CB 1.298 32.914 31.700 -0.140 0.000 0.949 1387 S N -0.470 115.213 115.700 -0.029 0.000 2.503 1387 S HA 0.114 4.584 4.470 -0.001 0.000 0.215 1387 S C 0.598 175.186 174.600 -0.020 0.000 1.003 1387 S CA 0.228 58.436 58.200 0.014 0.000 0.910 1387 S CB -0.310 62.979 63.200 0.148 0.000 0.790 1387 S HN 0.506 nan 8.310 nan 0.000 0.514 1388 T N 1.945 116.433 114.554 -0.111 0.000 2.916 1388 T HA 0.663 5.012 4.350 -0.001 0.000 0.298 1388 T C -1.651 172.902 174.700 -0.245 0.000 1.031 1388 T CA -0.370 61.595 62.100 -0.225 0.000 0.993 1388 T CB 1.895 70.526 68.868 -0.395 0.000 1.045 1388 T HN 0.177 nan 8.240 nan 0.000 0.454 1389 I N 3.315 123.747 120.570 -0.230 0.000 2.447 1389 I HA 0.551 4.720 4.170 -0.001 0.000 0.287 1389 I C -1.320 174.799 176.117 0.003 0.000 1.023 1389 I CA -0.797 60.427 61.300 -0.127 0.000 1.083 1389 I CB 0.969 38.820 38.000 -0.248 0.000 1.245 1389 I HN 0.597 nan 8.210 nan 0.000 0.434 1390 I N 7.193 127.763 120.570 -0.001 0.000 2.382 1390 I HA 0.482 4.651 4.170 -0.001 0.000 0.285 1390 I C 0.430 176.729 176.117 0.303 0.000 1.007 1390 I CA -0.599 60.763 61.300 0.102 0.000 1.142 1390 I CB 1.670 39.513 38.000 -0.261 0.000 1.289 1390 I HN 0.663 nan 8.210 nan 0.000 0.453 1391 G N 5.350 114.303 108.800 0.256 0.000 2.319 1391 G HA2 0.522 4.481 3.960 -0.001 0.000 0.308 1391 G HA3 0.522 4.481 3.960 -0.001 0.000 0.308 1391 G C -0.080 174.792 174.900 -0.047 0.000 1.117 1391 G CA -0.319 44.715 45.100 -0.110 0.000 0.903 1391 G HN 0.547 nan 8.290 nan 0.000 0.436 1392 V N 0.083 120.004 119.914 0.012 0.000 2.786 1392 V HA 0.626 4.745 4.120 -0.001 0.000 0.326 1392 V C 0.658 176.752 176.094 -0.000 0.000 1.185 1392 V CA 0.011 62.327 62.300 0.027 0.000 1.355 1392 V CB 0.206 32.093 31.823 0.107 0.000 1.275 1392 V HN 0.807 nan 8.190 nan 0.000 0.611 1393 A N 0.582 123.367 122.820 -0.060 0.000 2.229 1393 A HA 0.627 4.946 4.320 -0.001 0.000 0.211 1393 A C 2.024 179.577 177.584 -0.052 0.000 1.193 1393 A CA 0.657 52.664 52.037 -0.050 0.000 0.879 1393 A CB -0.167 18.785 19.000 -0.081 0.000 0.911 1393 A HN 2.058 nan 8.150 nan 0.000 0.492 1394 G N -0.945 107.817 108.800 -0.064 0.000 2.321 1394 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.287 1394 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.287 1394 G C 0.726 175.595 174.900 -0.052 0.000 1.018 1394 G CA 0.639 45.707 45.100 -0.053 0.000 0.855 1394 G HN 1.548 nan 8.290 nan 0.000 0.507 1395 A N -1.048 121.733 122.820 -0.066 0.000 2.508 1395 A HA 0.746 5.065 4.320 -0.001 0.000 0.257 1395 A C 1.727 179.280 177.584 -0.051 0.000 1.226 1395 A CA 1.336 53.340 52.037 -0.054 0.000 0.947 1395 A CB 0.209 19.177 19.000 -0.054 0.000 1.079 1395 A HN 2.552 nan 8.150 nan 0.000 0.531 1396 G N -0.193 108.571 108.800 -0.059 0.000 2.466 1396 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.316 1396 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.316 1396 G C -0.579 174.288 174.900 -0.056 0.000 1.270 1396 G CA -0.892 44.184 45.100 -0.041 0.000 0.982 1396 G HN 0.222 nan 8.290 nan 0.000 0.506 1397 R N 0.930 121.418 120.500 -0.020 0.000 4.113 1397 R HA 0.172 4.512 4.340 -0.001 0.000 0.179 1397 R C 1.458 177.762 176.300 0.007 0.000 1.781 1397 R CA -0.001 56.097 56.100 -0.003 0.000 1.402 1397 R CB -1.010 29.305 30.300 0.025 0.000 1.375 1397 R HN 0.459 nan 8.270 nan 0.000 0.786 1398 L N -0.299 120.900 121.223 -0.040 0.000 2.509 1398 L HA 0.144 4.484 4.340 -0.001 0.000 0.222 1398 L C 0.923 177.907 176.870 0.189 0.000 1.123 1398 L CA 0.512 55.355 54.840 0.005 0.000 0.856 1398 L CB -0.013 41.983 42.059 -0.105 0.000 0.985 1398 L HN 0.296 nan 8.230 nan 0.000 0.456 1399 F N 1.798 121.727 119.950 -0.034 0.000 2.640 1399 F HA 0.067 4.594 4.527 -0.001 0.000 0.354 1399 F C 1.399 177.212 175.800 0.022 0.000 1.213 1399 F CA -0.976 57.037 58.000 0.022 0.000 1.314 1399 F CB 0.100 39.125 39.000 0.043 0.000 1.679 1399 F HN 0.080 nan 8.300 nan 0.000 0.622 1400 T N -1.256 113.414 114.554 0.192 0.000 2.795 1400 T HA 0.021 4.370 4.350 -0.001 0.000 0.314 1400 T C -1.624 173.111 174.700 0.059 0.000 1.069 1400 T CA -1.306 60.853 62.100 0.098 0.000 1.071 1400 T CB 1.047 69.959 68.868 0.073 0.000 0.988 1400 T HN 0.101 nan 8.240 nan 0.000 0.543 1401 P HA -0.117 nan 4.420 nan 0.000 0.216 1401 P C 1.227 178.521 177.300 -0.011 0.000 1.157 1401 P CA 1.228 64.328 63.100 0.000 0.000 0.880 1401 P CB -0.033 31.665 31.700 -0.003 0.000 0.791 1402 D N -1.009 119.388 120.400 -0.006 0.000 2.117 1402 D HA -0.110 4.529 4.640 -0.001 0.000 0.197 1402 D C 2.080 178.357 176.300 -0.039 0.000 0.987 1402 D CA 0.983 54.970 54.000 -0.021 0.000 0.829 1402 D CB -0.900 39.892 40.800 -0.014 0.000 0.961 1402 D HN -0.040 nan 8.370 nan 0.000 0.460 1403 V N 1.533 121.434 119.914 -0.022 0.000 2.282 1403 V HA -0.252 3.867 4.120 -0.001 0.000 0.249 1403 V C 2.553 178.585 176.094 -0.104 0.000 1.057 1403 V CA 1.315 63.582 62.300 -0.054 0.000 1.032 1403 V CB -0.388 31.458 31.823 0.039 0.000 0.645 1403 V HN 0.208 nan 8.190 nan 0.000 0.447 1404 I N -0.770 119.755 120.570 -0.075 0.000 2.226 1404 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 1404 I C 2.736 178.799 176.117 -0.090 0.000 1.100 1404 I CA 1.523 62.766 61.300 -0.094 0.000 1.374 1404 I CB -0.501 37.459 38.000 -0.067 0.000 1.057 1404 I HN 0.242 nan 8.210 nan 0.000 0.413 1405 R N 1.140 121.599 120.500 -0.069 0.000 2.073 1405 R HA -0.021 4.318 4.340 -0.001 0.000 0.234 1405 R C 1.484 177.739 176.300 -0.074 0.000 1.134 1405 R CA 0.947 57.009 56.100 -0.063 0.000 0.952 1405 R CB -0.489 29.783 30.300 -0.047 0.000 0.850 1405 R HN 0.322 nan 8.270 nan 0.000 0.433 1409 S N 0.809 116.472 115.700 -0.062 0.000 2.345 1409 S HA -0.020 4.449 4.470 -0.001 0.000 0.219 1409 S C 1.739 176.305 174.600 -0.056 0.000 1.031 1409 S CA 1.508 59.676 58.200 -0.053 0.000 0.984 1409 S CB -0.311 62.856 63.200 -0.054 0.000 0.874 1409 S HN 0.452 nan 8.310 nan 0.000 0.451 1410 I N 2.021 122.549 120.570 -0.070 0.000 2.454 1410 I HA -0.005 4.164 4.170 -0.001 0.000 0.254 1410 I C 0.448 176.529 176.117 -0.061 0.000 1.156 1410 I CA 1.028 62.285 61.300 -0.071 0.000 1.433 1410 I CB -1.303 36.640 38.000 -0.094 0.000 1.082 1410 I HN 0.261 nan 8.210 nan 0.000 0.432 1411 N N 0.117 118.781 118.700 -0.060 0.000 2.312 1411 N HA 0.130 4.869 4.740 -0.001 0.000 0.296 1411 N C 0.717 176.202 175.510 -0.042 0.000 1.193 1411 N CA -0.377 52.643 53.050 -0.050 0.000 0.773 1411 N CB 2.355 40.810 38.487 -0.053 0.000 1.435 1411 N HN -0.160 nan 8.380 nan 0.000 0.484 1412 E N 0.583 120.763 120.200 -0.035 0.000 2.086 1412 E HA 0.079 4.428 4.350 -0.001 0.000 0.190 1412 E C -0.318 176.268 176.600 -0.024 0.000 0.975 1412 E CA 1.361 57.745 56.400 -0.026 0.000 0.813 1412 E CB 0.420 30.107 29.700 -0.021 0.000 0.768 1412 E HN 0.291 nan 8.360 nan 0.000 0.457 1413 R N 1.263 121.748 120.500 -0.026 0.000 2.585 1413 R HA 0.321 4.660 4.340 -0.001 0.000 0.278 1413 R C -2.512 173.775 176.300 -0.023 0.000 1.663 1413 R CA -2.088 54.001 56.100 -0.019 0.000 1.592 1413 R CB 0.779 31.074 30.300 -0.008 0.000 1.200 1413 R HN 0.202 nan 8.270 nan 0.000 0.611 1414 P HA 0.099 nan 4.420 nan 0.000 0.271 1414 P C -0.046 177.238 177.300 -0.026 0.000 1.216 1414 P CA -0.220 62.854 63.100 -0.044 0.000 0.776 1414 P CB 1.357 33.015 31.700 -0.070 0.000 0.881 1415 V N 5.025 124.914 119.914 -0.041 0.000 2.364 1415 V HA 0.223 4.343 4.120 -0.001 0.000 0.272 1415 V C 0.554 176.617 176.094 -0.052 0.000 1.036 1415 V CA -0.328 61.942 62.300 -0.050 0.000 0.880 1415 V CB 0.596 32.316 31.823 -0.173 0.000 0.991 1415 V HN 0.392 nan 8.190 nan 0.000 0.460 1416 I N 5.818 126.474 120.570 0.143 0.000 2.382 1416 I HA 0.442 4.611 4.170 -0.001 0.000 0.286 1416 I C -0.863 175.575 176.117 0.536 0.000 1.002 1416 I CA -0.327 61.129 61.300 0.260 0.000 1.135 1416 I CB 1.388 39.560 38.000 0.287 0.000 1.288 1416 I HN 0.365 nan 8.210 nan 0.000 0.448 1417 F N 4.779 124.811 119.950 0.136 0.000 2.366 1417 F HA 0.502 5.028 4.527 -0.001 0.000 0.366 1417 F C 0.620 176.478 175.800 0.096 0.000 1.096 1417 F CA -1.549 56.456 58.000 0.009 0.000 1.060 1417 F CB 1.690 40.700 39.000 0.016 0.000 1.282 1417 F HN 0.491 nan 8.300 nan 0.000 0.450 1418 A N 5.521 128.390 122.820 0.083 0.000 2.736 1418 A HA 0.515 4.834 4.320 -0.001 0.000 0.335 1418 A C 0.661 178.217 177.584 -0.046 0.000 1.446 1418 A CA -0.245 51.782 52.037 -0.016 0.000 1.028 1418 A CB -0.278 18.806 19.000 0.141 0.000 1.154 1418 A HN 0.829 nan 8.150 nan 0.000 0.507 1419 L N 0.943 122.145 121.223 -0.035 0.000 2.509 1419 L HA 0.049 4.388 4.340 -0.001 0.000 0.222 1419 L C 0.925 177.780 176.870 -0.024 0.000 1.123 1419 L CA 0.093 54.919 54.840 -0.022 0.000 0.856 1419 L CB -0.183 41.898 42.059 0.037 0.000 0.985 1419 L HN 0.511 nan 8.230 nan 0.000 0.456 1420 S N 1.069 116.740 115.700 -0.048 0.000 2.560 1420 S HA 0.127 4.596 4.470 -0.001 0.000 0.284 1420 S C 0.122 174.696 174.600 -0.043 0.000 1.327 1420 S CA -0.114 58.057 58.200 -0.048 0.000 1.055 1420 S CB 0.330 63.486 63.200 -0.073 0.000 0.868 1420 S HN 0.272 nan 8.310 nan 0.000 0.506 1421 N N 2.468 121.135 118.700 -0.054 0.000 2.265 1421 N HA 0.522 5.261 4.740 -0.001 0.000 0.300 1421 N C -2.669 172.797 175.510 -0.074 0.000 1.148 1421 N CA -1.494 51.508 53.050 -0.080 0.000 0.772 1421 N CB 1.790 40.207 38.487 -0.116 0.000 1.434 1421 N HN 0.283 nan 8.380 nan 0.000 0.481 1422 P HA 0.152 nan 4.420 nan 0.000 0.307 1422 P C 0.530 177.783 177.300 -0.079 0.000 1.306 1422 P CA 0.012 63.051 63.100 -0.102 0.000 0.742 1422 P CB 0.401 32.042 31.700 -0.098 0.000 1.349 1423 T N -0.025 114.470 114.554 -0.099 0.000 2.685 1423 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 1423 T C 1.896 176.604 174.700 0.014 0.000 1.034 1423 T CA 2.421 64.474 62.100 -0.078 0.000 1.149 1423 T CB -1.155 67.631 68.868 -0.137 0.000 0.860 1423 T HN 0.520 nan 8.240 nan 0.000 0.449 1424 A N 0.615 123.435 122.820 -0.001 0.000 2.121 1424 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 1424 A C 2.151 179.741 177.584 0.011 0.000 1.154 1424 A CA 1.093 53.140 52.037 0.017 0.000 0.679 1424 A CB -0.355 18.646 19.000 0.002 0.000 0.795 1424 A HN 0.365 nan 8.150 nan 0.000 0.458 1425 Q N -0.607 119.189 119.800 -0.007 0.000 2.356 1425 Q HA 0.443 4.782 4.340 -0.001 0.000 0.205 1425 Q C 0.781 176.765 176.000 -0.026 0.000 0.901 1425 Q CA 0.540 56.330 55.803 -0.022 0.000 0.938 1425 Q CB -0.080 28.636 28.738 -0.036 0.000 1.081 1425 Q HN 0.580 nan 8.270 nan 0.000 0.517 1426 A N 0.613 123.441 122.820 0.014 0.000 2.520 1426 A HA 0.004 4.323 4.320 -0.001 0.000 0.235 1426 A C 0.779 178.349 177.584 -0.024 0.000 1.065 1426 A CA -0.089 51.968 52.037 0.033 0.000 0.764 1426 A CB 0.366 19.484 19.000 0.196 0.000 1.002 1426 A HN 0.159 nan 8.150 nan 0.000 0.502 1427 E N -0.210 119.899 120.200 -0.152 0.000 2.110 1427 E HA -0.038 4.311 4.350 -0.001 0.000 0.193 1427 E C 0.718 177.287 176.600 -0.053 0.000 0.988 1427 E CA 1.724 57.932 56.400 -0.320 0.000 0.804 1427 E CB -0.379 28.671 29.700 -1.083 0.000 0.745 1427 E HN 0.945 nan 8.360 nan 0.000 0.458 1428 C N -3.151 116.197 119.300 0.079 0.000 3.275 1428 C HA 0.677 5.136 4.460 -0.001 0.000 0.340 1428 C C 0.055 175.067 174.990 0.035 0.000 1.366 1428 C CA -0.649 58.426 59.018 0.095 0.000 1.227 1428 C CB 1.020 28.854 27.740 0.156 0.000 1.512 1428 C HN 0.276 nan 8.230 nan 0.000 0.461 1429 T N -0.798 113.627 114.554 -0.215 0.000 2.912 1429 T HA 0.656 5.005 4.350 -0.001 0.000 0.280 1429 T C 1.178 175.294 174.700 -0.973 0.000 0.989 1429 T CA 0.205 61.842 62.100 -0.773 0.000 0.995 1429 T CB 1.355 69.860 68.868 -0.605 0.000 1.077 1429 T HN 2.075 nan 8.240 nan 0.000 0.531 1430 A N 0.214 122.236 122.820 -1.330 0.000 1.930 1430 A HA -0.007 4.312 4.320 -0.001 0.000 0.217 1430 A C 2.237 179.499 177.584 -0.536 0.000 1.175 1430 A CA 1.889 53.282 52.037 -1.073 0.000 0.627 1430 A CB -1.214 17.608 19.000 -0.297 0.000 0.815 1430 A HN 0.995 nan 8.150 nan 0.000 0.443 1431 E N 0.529 120.512 120.200 -0.361 0.000 2.049 1431 E HA -0.229 4.120 4.350 -0.001 0.000 0.198 1431 E C 1.836 178.333 176.600 -0.172 0.000 1.007 1431 E CA 2.135 58.445 56.400 -0.151 0.000 0.809 1431 E CB -0.355 29.281 29.700 -0.107 0.000 0.749 1431 E HN 0.710 nan 8.360 nan 0.000 0.450 1432 E N -0.227 119.830 120.200 -0.239 0.000 2.077 1432 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 1432 E C 2.037 178.500 176.600 -0.230 0.000 0.989 1432 E CA 1.063 57.354 56.400 -0.181 0.000 0.800 1432 E CB -0.272 29.342 29.700 -0.144 0.000 0.746 1432 E HN 0.399 nan 8.360 nan 0.000 0.452 1433 A N 0.661 123.226 122.820 -0.424 0.000 1.845 1433 A HA -0.206 4.113 4.320 -0.001 0.000 0.215 1433 A C 1.946 179.265 177.584 -0.441 0.000 1.195 1433 A CA 1.463 53.196 52.037 -0.506 0.000 0.616 1433 A CB -1.010 17.400 19.000 -0.983 0.000 0.832 1433 A HN 0.286 nan 8.150 nan 0.000 0.443 1434 Y N 0.779 120.874 120.300 -0.340 0.000 2.114 1434 Y HA -0.220 4.329 4.550 -0.001 0.000 0.284 1434 Y C 3.274 179.061 175.900 -0.188 0.000 1.143 1434 Y CA 2.003 59.923 58.100 -0.300 0.000 1.135 1434 Y CB -0.857 37.429 38.460 -0.289 0.000 0.980 1434 Y HN 0.519 nan 8.280 nan 0.000 0.499 1435 T N -1.373 113.202 114.554 0.036 0.000 2.720 1435 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 1435 T C 1.705 176.395 174.700 -0.017 0.000 1.037 1435 T CA 1.409 63.521 62.100 0.020 0.000 1.144 1435 T CB -0.680 68.193 68.868 0.008 0.000 0.864 1435 T HN 0.114 nan 8.240 nan 0.000 0.444 1436 L N 2.293 123.483 121.223 -0.055 0.000 2.376 1436 L HA 0.184 4.524 4.340 -0.001 0.000 0.219 1436 L C 2.495 179.328 176.870 -0.063 0.000 1.133 1436 L CA 1.666 56.471 54.840 -0.058 0.000 0.816 1436 L CB -0.691 41.326 42.059 -0.070 0.000 0.933 1436 L HN 0.709 nan 8.230 nan 0.000 0.449 1437 T N -5.419 109.087 114.554 -0.079 0.000 3.134 1437 T HA 0.174 4.523 4.350 -0.001 0.000 0.260 1437 T C 0.601 175.270 174.700 -0.051 0.000 1.027 1437 T CA -0.214 61.840 62.100 -0.077 0.000 0.913 1437 T CB -0.177 68.623 68.868 -0.113 0.000 1.046 1437 T HN 0.319 nan 8.240 nan 0.000 0.553 1438 E N 0.586 120.771 120.200 -0.026 0.000 2.539 1438 E HA -0.239 4.110 4.350 -0.001 0.000 0.253 1438 E C 1.033 177.642 176.600 0.015 0.000 1.145 1438 E CA 0.464 56.870 56.400 0.010 0.000 0.738 1438 E CB -1.843 27.864 29.700 0.012 0.000 1.308 1438 E HN 0.982 nan 8.360 nan 0.000 0.409 1439 G N -0.319 108.440 108.800 -0.067 0.000 2.143 1439 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.249 1439 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.249 1439 G C 0.681 175.436 174.900 -0.242 0.000 0.981 1439 G CA 0.580 45.496 45.100 -0.307 0.000 0.665 1439 G HN 0.379 nan 8.290 nan 0.000 0.528 1440 R N -0.402 120.035 120.500 -0.105 0.000 2.254 1440 R HA 0.209 4.548 4.340 -0.001 0.000 0.195 1440 R C 2.116 178.383 176.300 -0.054 0.000 0.957 1440 R CA 0.691 56.760 56.100 -0.051 0.000 1.024 1440 R CB -0.144 30.140 30.300 -0.026 0.000 0.952 1440 R HN 0.800 nan 8.270 nan 0.000 0.484 1441 C N 0.182 119.423 119.300 -0.098 0.000 2.656 1441 C HA 0.406 4.865 4.460 -0.001 0.000 0.391 1441 C C 0.475 175.458 174.990 -0.012 0.000 1.300 1441 C CA -1.187 57.783 59.018 -0.080 0.000 2.302 1441 C CB -0.181 27.465 27.740 -0.157 0.000 2.655 1441 C HN 0.211 nan 8.230 nan 0.000 0.656 1442 L N 2.659 123.918 121.223 0.060 0.000 2.295 1442 L HA 0.485 4.824 4.340 -0.001 0.000 0.281 1442 L C -0.262 176.754 176.870 0.244 0.000 1.018 1442 L CA -0.071 54.861 54.840 0.154 0.000 0.841 1442 L CB 0.530 42.672 42.059 0.138 0.000 1.218 1442 L HN 0.752 nan 8.230 nan 0.000 0.424 1443 F N 3.268 123.240 119.950 0.037 0.000 2.507 1443 F HA 0.840 5.366 4.527 -0.001 0.000 0.327 1443 F C -0.204 175.643 175.800 0.079 0.000 1.068 1443 F CA -0.530 57.477 58.000 0.011 0.000 0.965 1443 F CB 1.744 40.536 39.000 -0.347 0.000 1.192 1443 F HN 0.431 nan 8.300 nan 0.000 0.476 1444 A N 2.767 124.976 122.820 -1.018 0.000 2.566 1444 A HA 0.684 5.003 4.320 -0.001 0.000 0.297 1444 A C -1.418 175.513 177.584 -1.089 0.000 1.059 1444 A CA -0.175 51.355 52.037 -0.845 0.000 0.691 1444 A CB 1.205 19.630 19.000 -0.958 0.000 1.282 1444 A HN 1.096 nan 8.150 nan 0.000 0.401 1445 S N 0.115 115.501 115.700 -0.523 0.000 2.595 1445 S HA 0.718 5.187 4.470 -0.001 0.000 0.281 1445 S C 0.818 175.360 174.600 -0.096 0.000 1.117 1445 S CA -0.037 58.032 58.200 -0.217 0.000 0.873 1445 S CB 1.442 64.794 63.200 0.253 0.000 1.108 1445 S HN 1.815 nan 8.310 nan 0.000 0.477 1446 G N 0.595 109.366 108.800 -0.049 0.000 2.430 1446 G HA2 0.218 4.178 3.960 -0.001 0.000 0.216 1446 G HA3 0.218 4.178 3.960 -0.001 0.000 0.216 1446 G C 0.318 175.185 174.900 -0.055 0.000 1.146 1446 G CA 0.197 45.269 45.100 -0.047 0.000 0.793 1446 G HN 0.690 nan 8.290 nan 0.000 0.537 1447 S N 1.171 116.823 115.700 -0.080 0.000 2.593 1447 S HA 0.530 4.999 4.470 -0.001 0.000 0.297 1447 S C -2.567 171.888 174.600 -0.243 0.000 1.112 1447 S CA -1.009 57.084 58.200 -0.178 0.000 1.043 1447 S CB 2.390 65.441 63.200 -0.249 0.000 1.054 1447 S HN 0.068 nan 8.310 nan 0.000 0.516 1448 P HA 0.206 nan 4.420 nan 0.000 0.268 1448 P C -1.267 175.831 177.300 -0.336 0.000 1.204 1448 P CA 0.192 63.203 63.100 -0.148 0.000 0.768 1448 P CB 0.068 31.731 31.700 -0.061 0.000 0.842 1449 F N 1.066 121.105 119.950 0.149 0.000 2.561 1449 F HA 0.442 4.968 4.527 -0.001 0.000 0.313 1449 F C 1.152 177.042 175.800 0.150 0.000 1.126 1449 F CA -0.680 57.415 58.000 0.157 0.000 0.918 1449 F CB 2.178 41.311 39.000 0.222 0.000 1.199 1449 F HN 0.314 nan 8.300 nan 0.000 0.444 1450 G N 2.451 111.440 108.800 0.316 0.000 2.634 1450 G HA2 0.457 4.417 3.960 -0.001 0.000 0.255 1450 G HA3 0.457 4.417 3.960 -0.001 0.000 0.255 1450 G C -2.707 172.312 174.900 0.199 0.000 1.205 1450 G CA -1.272 43.953 45.100 0.208 0.000 0.884 1450 G HN 0.301 nan 8.290 nan 0.000 0.549 1451 P HA 0.195 nan 4.420 nan 0.000 0.267 1451 P C -0.484 176.857 177.300 0.069 0.000 1.201 1451 P CA -0.235 62.919 63.100 0.091 0.000 0.775 1451 P CB 0.810 32.538 31.700 0.045 0.000 0.854 1452 V N 2.721 122.650 119.914 0.025 0.000 2.555 1452 V HA 0.401 4.520 4.120 -0.001 0.000 0.302 1452 V C 0.066 176.161 176.094 0.002 0.000 1.038 1452 V CA -0.437 61.879 62.300 0.028 0.000 0.887 1452 V CB 1.674 33.532 31.823 0.058 0.000 0.991 1452 V HN 0.439 nan 8.190 nan 0.000 0.434 1453 K N 5.283 125.692 120.400 0.015 0.000 2.483 1453 K HA 0.608 4.927 4.320 -0.001 0.000 0.256 1453 K C -0.979 175.639 176.600 0.031 0.000 0.961 1453 K CA -0.606 55.679 56.287 -0.004 0.000 0.873 1453 K CB 1.076 33.563 32.500 -0.022 0.000 1.107 1453 K HN 0.620 nan 8.250 nan 0.000 0.432 1454 L N 3.120 124.378 121.223 0.059 0.000 2.452 1454 L HA 0.116 4.455 4.340 -0.001 0.000 0.267 1454 L C 1.985 178.877 176.870 0.036 0.000 1.188 1454 L CA -0.341 54.542 54.840 0.071 0.000 0.821 1454 L CB 0.841 42.974 42.059 0.124 0.000 1.102 1454 L HN 0.861 nan 8.230 nan 0.000 0.470 1455 T N -3.568 111.005 114.554 0.031 0.000 2.918 1455 T HA -0.243 4.106 4.350 -0.001 0.000 0.271 1455 T C 1.369 176.078 174.700 0.016 0.000 1.104 1455 T CA 1.366 63.478 62.100 0.019 0.000 1.114 1455 T CB -0.266 68.613 68.868 0.017 0.000 0.855 1455 T HN 0.763 nan 8.240 nan 0.000 0.518 1456 D N 2.238 122.654 120.400 0.026 0.000 2.087 1456 D HA -0.053 4.586 4.640 -0.001 0.000 0.192 1456 D C 1.872 178.173 176.300 0.002 0.000 0.993 1456 D CA 2.193 56.206 54.000 0.023 0.000 0.828 1456 D CB -0.694 40.134 40.800 0.048 0.000 0.968 1456 D HN 0.677 nan 8.370 nan 0.000 0.448 1457 G N -0.167 108.626 108.800 -0.012 0.000 2.273 1457 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.162 1457 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.162 1457 G C 0.019 174.866 174.900 -0.088 0.000 1.006 1457 G CA -0.083 44.993 45.100 -0.039 0.000 0.704 1457 G HN 0.361 nan 8.290 nan 0.000 0.487 1458 R N 0.245 120.680 120.500 -0.108 0.000 2.357 1458 R HA 0.597 4.937 4.340 -0.001 0.000 0.296 1458 R C -0.196 175.845 176.300 -0.433 0.000 1.052 1458 R CA -0.396 55.534 56.100 -0.284 0.000 0.988 1458 R CB 2.008 32.153 30.300 -0.258 0.000 1.025 1458 R HN 0.050 nan 8.270 nan 0.000 0.469 1459 V N 4.555 124.127 119.914 -0.571 0.000 2.398 1459 V HA 0.407 4.527 4.120 -0.001 0.000 0.286 1459 V C -0.808 174.836 176.094 -0.750 0.000 1.026 1459 V CA -0.526 61.487 62.300 -0.479 0.000 0.868 1459 V CB 0.858 32.528 31.823 -0.254 0.000 0.982 1459 V HN 0.518 nan 8.190 nan 0.000 0.443 1460 F N 1.738 121.521 119.950 -0.278 0.000 2.493 1460 F HA 0.522 5.048 4.527 -0.001 0.000 0.329 1460 F C 0.566 176.191 175.800 -0.291 0.000 1.126 1460 F CA -0.591 57.152 58.000 -0.427 0.000 0.937 1460 F CB 2.149 40.484 39.000 -1.108 0.000 1.146 1460 F HN 0.315 nan 8.300 nan 0.000 0.442 1461 T N 5.223 119.814 114.554 0.062 0.000 2.853 1461 T HA 0.307 4.656 4.350 -0.001 0.000 0.317 1461 T C -2.625 172.232 174.700 0.261 0.000 1.059 1461 T CA -1.491 60.690 62.100 0.135 0.000 0.954 1461 T CB 0.728 69.659 68.868 0.106 0.000 0.994 1461 T HN 0.208 nan 8.240 nan 0.000 0.479 1462 P HA 0.269 nan 4.420 nan 0.000 0.271 1462 P C 0.291 177.818 177.300 0.378 0.000 1.216 1462 P CA -0.140 63.278 63.100 0.530 0.000 0.776 1462 P CB 0.912 33.057 31.700 0.740 0.000 0.881 1463 G N 1.980 110.979 108.800 0.330 0.000 2.477 1463 G HA2 0.276 4.235 3.960 -0.001 0.000 0.304 1463 G HA3 0.276 4.235 3.960 -0.001 0.000 0.304 1463 G C -0.931 174.098 174.900 0.214 0.000 1.175 1463 G CA -0.496 44.788 45.100 0.308 0.000 0.907 1463 G HN 0.559 nan 8.290 nan 0.000 0.509 1464 Q N 0.115 120.001 119.800 0.143 0.000 2.400 1464 Q HA 0.428 4.767 4.340 -0.001 0.000 0.255 1464 Q C 0.332 176.163 176.000 -0.281 0.000 1.008 1464 Q CA -0.642 55.171 55.803 0.016 0.000 0.841 1464 Q CB 0.977 29.780 28.738 0.109 0.000 1.220 1464 Q HN 0.589 nan 8.270 nan 0.000 0.474 1465 G N 4.321 112.905 108.800 -0.360 0.000 2.865 1465 G HA2 0.036 3.995 3.960 -0.001 0.000 0.292 1465 G HA3 0.036 3.995 3.960 -0.001 0.000 0.292 1465 G C -0.380 174.388 174.900 -0.220 0.000 0.800 1465 G CA -0.183 44.602 45.100 -0.526 0.000 1.838 1465 G HN 0.513 nan 8.290 nan 0.000 0.535 1466 N N 1.476 120.107 118.700 -0.115 0.000 2.258 1466 N HA 0.034 4.773 4.740 -0.001 0.000 0.299 1466 N C 1.034 176.629 175.510 0.142 0.000 1.047 1466 N CA -0.660 52.435 53.050 0.074 0.000 0.814 1466 N CB 1.439 40.018 38.487 0.154 0.000 1.413 1466 N HN 0.272 nan 8.380 nan 0.000 0.478 1467 N N 2.259 121.089 118.700 0.216 0.000 2.588 1467 N HA -0.148 4.591 4.740 -0.001 0.000 0.190 1467 N C 1.424 177.009 175.510 0.125 0.000 1.094 1467 N CA 0.658 53.869 53.050 0.267 0.000 0.921 1467 N CB -0.243 38.490 38.487 0.409 0.000 0.959 1467 N HN 0.276 nan 8.380 nan 0.000 0.448 1468 V N -0.453 119.474 119.914 0.023 0.000 2.688 1468 V HA -0.229 3.890 4.120 -0.001 0.000 0.256 1468 V C 1.163 176.888 176.094 -0.614 0.000 1.084 1468 V CA 1.463 63.421 62.300 -0.570 0.000 1.103 1468 V CB -0.773 30.816 31.823 -0.389 0.000 0.688 1468 V HN 0.359 nan 8.190 nan 0.000 0.480 1469 Y N -1.043 119.073 120.300 -0.307 0.000 2.561 1469 Y HA 0.033 4.582 4.550 -0.001 0.000 0.291 1469 Y C 2.051 177.823 175.900 -0.213 0.000 1.141 1469 Y CA 0.969 58.927 58.100 -0.237 0.000 1.303 1469 Y CB 0.366 38.720 38.460 -0.175 0.000 1.015 1469 Y HN 0.251 nan 8.280 nan 0.000 0.547 1470 I N -1.769 118.758 120.570 -0.071 0.000 3.345 1470 I HA -0.120 4.049 4.170 -0.001 0.000 0.258 1470 I C 2.119 178.191 176.117 -0.074 0.000 1.134 1470 I CA 0.641 61.931 61.300 -0.015 0.000 1.457 1470 I CB -1.412 36.681 38.000 0.155 0.000 1.425 1470 I HN 0.163 nan 8.210 nan 0.000 0.461 1471 F N 2.152 122.138 119.950 0.059 0.000 2.202 1471 F HA -0.006 4.520 4.527 -0.001 0.000 0.301 1471 F C -0.801 174.876 175.800 -0.206 0.000 1.082 1471 F CA 0.827 58.840 58.000 0.022 0.000 1.313 1471 F CB -2.784 36.375 39.000 0.265 0.000 1.024 1471 F HN 0.085 nan 8.300 nan 0.000 0.495 1472 P HA 0.005 nan 4.420 nan 0.000 0.214 1472 P C 2.133 179.262 177.300 -0.284 0.000 1.162 1472 P CA 2.255 65.120 63.100 -0.392 0.000 0.874 1472 P CB -0.409 31.048 31.700 -0.406 0.000 0.784 1473 G N -0.322 108.344 108.800 -0.223 0.000 2.418 1473 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.217 1473 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.217 1473 G C 1.611 176.415 174.900 -0.160 0.000 1.158 1473 G CA 0.729 45.735 45.100 -0.157 0.000 0.771 1473 G HN 0.136 nan 8.290 nan 0.000 0.545 1474 V N 1.504 121.300 119.914 -0.198 0.000 2.307 1474 V HA -0.093 4.026 4.120 -0.001 0.000 0.245 1474 V C 3.327 179.292 176.094 -0.215 0.000 1.045 1474 V CA 1.933 64.076 62.300 -0.261 0.000 1.024 1474 V CB -0.886 30.680 31.823 -0.428 0.000 0.651 1474 V HN 0.471 nan 8.190 nan 0.000 0.449 1475 A N 0.115 122.817 122.820 -0.197 0.000 1.883 1475 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 1475 A C 2.196 179.725 177.584 -0.090 0.000 1.186 1475 A CA 2.331 54.293 52.037 -0.124 0.000 0.624 1475 A CB -0.707 18.087 19.000 -0.344 0.000 0.822 1475 A HN 0.463 nan 8.150 nan 0.000 0.444 1476 L N -0.207 120.938 121.223 -0.130 0.000 2.012 1476 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 1476 L C 2.669 179.518 176.870 -0.034 0.000 1.073 1476 L CA 2.466 57.261 54.840 -0.075 0.000 0.748 1476 L CB -0.886 41.121 42.059 -0.086 0.000 0.891 1476 L HN 0.361 nan 8.230 nan 0.000 0.431 1477 A N -1.084 121.712 122.820 -0.040 0.000 1.877 1477 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 1477 A C 2.278 179.869 177.584 0.011 0.000 1.186 1477 A CA 2.138 54.176 52.037 0.003 0.000 0.620 1477 A CB -1.224 17.765 19.000 -0.018 0.000 0.822 1477 A HN 0.327 nan 8.150 nan 0.000 0.443 1478 V N 0.276 120.178 119.914 -0.019 0.000 2.287 1478 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 1478 V C 2.445 178.562 176.094 0.038 0.000 1.053 1478 V CA 2.170 64.474 62.300 0.006 0.000 1.027 1478 V CB -0.693 31.136 31.823 0.009 0.000 0.646 1478 V HN 0.578 nan 8.190 nan 0.000 0.447 1479 I N -0.548 120.045 120.570 0.038 0.000 2.179 1479 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 1479 I C 2.297 178.447 176.117 0.056 0.000 1.088 1479 I CA 1.591 62.916 61.300 0.042 0.000 1.357 1479 I CB -0.322 37.693 38.000 0.025 0.000 1.051 1479 I HN 0.256 nan 8.210 nan 0.000 0.409 1480 L N -0.256 121.007 121.223 0.066 0.000 2.141 1480 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 1480 L C 2.261 179.267 176.870 0.227 0.000 1.094 1480 L CA 0.936 55.855 54.840 0.132 0.000 0.763 1480 L CB -0.543 41.588 42.059 0.120 0.000 0.908 1480 L HN 0.402 nan 8.230 nan 0.000 0.437 1481 C N -0.267 119.112 119.300 0.132 0.000 2.626 1481 C HA 0.104 4.563 4.460 -0.001 0.000 0.266 1481 C C 1.095 176.115 174.990 0.051 0.000 1.317 1481 C CA -0.311 58.720 59.018 0.021 0.000 1.716 1481 C CB -1.826 25.825 27.740 -0.148 0.000 1.819 1481 C HN 0.633 nan 8.230 nan 0.000 0.578 1482 N N 0.379 119.142 118.700 0.105 0.000 2.740 1482 N HA -0.144 4.596 4.740 -0.001 0.000 0.248 1482 N C -0.461 175.144 175.510 0.157 0.000 1.062 1482 N CA 0.249 53.378 53.050 0.132 0.000 0.704 1482 N CB -0.943 37.657 38.487 0.188 0.000 0.968 1482 N HN 0.472 nan 8.380 nan 0.000 0.547 1483 T N -0.112 114.508 114.554 0.109 0.000 2.916 1483 T HA 0.089 4.438 4.350 -0.001 0.000 0.303 1483 T C 1.539 176.257 174.700 0.030 0.000 1.025 1483 T CA 0.032 62.207 62.100 0.124 0.000 1.142 1483 T CB 1.197 70.107 68.868 0.070 0.000 0.947 1483 T HN 0.213 nan 8.240 nan 0.000 0.544 1484 R N 1.106 121.583 120.500 -0.039 0.000 2.128 1484 R HA 0.122 4.461 4.340 -0.001 0.000 0.211 1484 R C 0.071 175.989 176.300 -0.637 0.000 1.067 1484 R CA 0.713 56.579 56.100 -0.390 0.000 1.010 1484 R CB 0.202 30.173 30.300 -0.548 0.000 0.922 1484 R HN 0.690 nan 8.270 nan 0.000 0.457 1485 H N -1.254 117.892 119.070 0.126 0.000 2.961 1485 H HA 0.399 4.954 4.556 -0.001 0.000 0.371 1485 H C -1.140 174.281 175.328 0.154 0.000 1.190 1485 H CA -0.741 55.393 56.048 0.142 0.000 1.138 1485 H CB 2.193 32.027 29.762 0.119 0.000 1.816 1485 H HN -0.115 nan 8.280 nan 0.000 0.551 1486 I N 2.442 123.196 120.570 0.306 0.000 2.354 1486 I HA 0.237 4.406 4.170 -0.001 0.000 0.286 1486 I C 0.161 176.446 176.117 0.280 0.000 1.007 1486 I CA -0.558 60.891 61.300 0.248 0.000 1.167 1486 I CB 1.054 39.209 38.000 0.257 0.000 1.320 1486 I HN 0.582 nan 8.210 nan 0.000 0.458 1487 S N 2.896 118.739 115.700 0.238 0.000 2.632 1487 S HA 0.228 4.697 4.470 -0.001 0.000 0.267 1487 S C 0.644 175.425 174.600 0.302 0.000 1.276 1487 S CA -0.680 57.664 58.200 0.239 0.000 0.998 1487 S CB 1.431 64.754 63.200 0.205 0.000 0.953 1487 S HN 0.533 nan 8.310 nan 0.000 0.547 1488 D N 1.150 121.719 120.400 0.282 0.000 2.219 1488 D HA -0.071 4.569 4.640 -0.001 0.000 0.205 1488 D C 2.154 178.626 176.300 0.286 0.000 0.970 1488 D CA 1.510 55.711 54.000 0.335 0.000 0.851 1488 D CB -0.566 40.358 40.800 0.206 0.000 0.943 1488 D HN 0.717 nan 8.370 nan 0.000 0.488 1489 S N 0.013 115.833 115.700 0.200 0.000 2.442 1489 S HA -0.105 4.364 4.470 -0.001 0.000 0.236 1489 S C 2.121 176.675 174.600 -0.077 0.000 1.007 1489 S CA 0.506 58.779 58.200 0.122 0.000 0.965 1489 S CB -0.477 62.861 63.200 0.230 0.000 0.773 1489 S HN 0.072 nan 8.310 nan 0.000 0.504 1490 V N 0.672 120.559 119.914 -0.044 0.000 2.427 1490 V HA -0.055 4.064 4.120 -0.001 0.000 0.248 1490 V C 2.074 177.919 176.094 -0.415 0.000 1.051 1490 V CA 1.643 63.757 62.300 -0.310 0.000 1.048 1490 V CB -0.945 30.702 31.823 -0.293 0.000 0.666 1490 V HN 0.506 nan 8.190 nan 0.000 0.456 1491 F N -0.954 118.934 119.950 -0.102 0.000 2.325 1491 F HA -0.025 4.501 4.527 -0.001 0.000 0.299 1491 F C 2.112 177.871 175.800 -0.068 0.000 1.090 1491 F CA 1.027 58.982 58.000 -0.074 0.000 1.392 1491 F CB -0.312 38.677 39.000 -0.020 0.000 1.053 1491 F HN 0.037 nan 8.300 nan 0.000 0.521 1492 L N 0.113 121.381 121.223 0.076 0.000 2.046 1492 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 1492 L C 2.477 179.305 176.870 -0.071 0.000 1.077 1492 L CA 1.683 56.540 54.840 0.028 0.000 0.747 1492 L CB -0.244 41.830 42.059 0.025 0.000 0.896 1492 L HN 0.106 nan 8.230 nan 0.000 0.432 1493 E N 0.161 120.216 120.200 -0.241 0.000 2.150 1493 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 1493 E C 1.943 178.432 176.600 -0.186 0.000 0.985 1493 E CA 1.422 57.634 56.400 -0.314 0.000 0.814 1493 E CB -0.056 29.198 29.700 -0.743 0.000 0.752 1493 E HN 0.516 nan 8.360 nan 0.000 0.466 1494 A N 0.641 123.357 122.820 -0.172 0.000 1.898 1494 A HA 0.031 4.350 4.320 -0.001 0.000 0.216 1494 A C 2.425 179.999 177.584 -0.017 0.000 1.181 1494 A CA 1.748 53.721 52.037 -0.106 0.000 0.620 1494 A CB -0.931 17.987 19.000 -0.137 0.000 0.819 1494 A HN 0.359 nan 8.150 nan 0.000 0.442 1495 A N 0.156 122.991 122.820 0.025 0.000 1.908 1495 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 1495 A C 2.105 179.713 177.584 0.040 0.000 1.181 1495 A CA 1.922 53.999 52.037 0.066 0.000 0.627 1495 A CB -0.458 18.599 19.000 0.095 0.000 0.818 1495 A HN 0.560 nan 8.150 nan 0.000 0.445 1496 K N -0.343 120.064 120.400 0.013 0.000 2.057 1496 K HA -0.012 4.307 4.320 -0.001 0.000 0.206 1496 K C 2.262 178.866 176.600 0.007 0.000 1.050 1496 K CA 1.087 57.380 56.287 0.010 0.000 0.935 1496 K CB -0.317 32.182 32.500 -0.002 0.000 0.715 1496 K HN 0.433 nan 8.250 nan 0.000 0.439 1497 A N 1.315 124.132 122.820 -0.005 0.000 1.969 1497 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 1497 A C 2.079 179.672 177.584 0.014 0.000 1.169 1497 A CA 1.016 53.053 52.037 -0.000 0.000 0.635 1497 A CB -0.390 18.601 19.000 -0.016 0.000 0.810 1497 A HN 0.222 nan 8.150 nan 0.000 0.445 1498 L N -0.478 120.760 121.223 0.024 0.000 2.005 1498 L HA -0.068 4.272 4.340 -0.001 0.000 0.207 1498 L C 2.406 179.291 176.870 0.026 0.000 1.072 1498 L CA 2.811 57.675 54.840 0.039 0.000 0.744 1498 L CB -1.034 41.061 42.059 0.060 0.000 0.895 1498 L HN 0.307 nan 8.230 nan 0.000 0.433 1499 T N -0.688 113.877 114.554 0.017 0.000 2.915 1499 T HA -0.118 4.231 4.350 -0.001 0.000 0.269 1499 T C 1.909 176.608 174.700 -0.002 0.000 1.071 1499 T CA 1.280 63.374 62.100 -0.009 0.000 1.132 1499 T CB -0.449 68.411 68.868 -0.013 0.000 0.878 1499 T HN 0.654 nan 8.240 nan 0.000 0.479 1500 S N 1.469 117.174 115.700 0.009 0.000 2.547 1500 S HA -0.075 4.394 4.470 -0.001 0.000 0.235 1500 S C 1.741 176.349 174.600 0.013 0.000 0.980 1500 S CA 0.578 58.785 58.200 0.011 0.000 0.941 1500 S CB -0.378 62.830 63.200 0.014 0.000 0.763 1500 S HN 0.559 nan 8.310 nan 0.000 0.532 1501 Q N -0.074 119.736 119.800 0.016 0.000 2.384 1501 Q HA 0.362 4.701 4.340 -0.001 0.000 0.207 1501 Q C 0.230 176.243 176.000 0.022 0.000 0.904 1501 Q CA -0.169 55.648 55.803 0.023 0.000 0.933 1501 Q CB 0.151 28.910 28.738 0.035 0.000 1.077 1501 Q HN 0.514 nan 8.270 nan 0.000 0.522 1502 L N 3.232 124.462 121.223 0.011 0.000 2.477 1502 L HA 0.054 4.393 4.340 -0.001 0.000 0.272 1502 L C 0.286 177.162 176.870 0.010 0.000 1.157 1502 L CA 0.003 54.846 54.840 0.006 0.000 0.889 1502 L CB 0.597 42.642 42.059 -0.022 0.000 1.158 1502 L HN 0.150 nan 8.230 nan 0.000 0.473 1503 T N -0.778 113.786 114.554 0.017 0.000 2.909 1503 T HA 0.170 4.519 4.350 -0.001 0.000 0.286 1503 T C 0.783 175.493 174.700 0.017 0.000 1.002 1503 T CA -0.834 61.276 62.100 0.017 0.000 1.074 1503 T CB 1.392 70.272 68.868 0.020 0.000 0.984 1503 T HN 0.569 nan 8.240 nan 0.000 0.495 1504 D N 1.493 121.901 120.400 0.014 0.000 2.154 1504 D HA -0.179 4.461 4.640 -0.001 0.000 0.190 1504 D C 1.871 178.183 176.300 0.020 0.000 1.003 1504 D CA 1.971 55.980 54.000 0.016 0.000 0.849 1504 D CB -0.200 40.608 40.800 0.014 0.000 0.942 1504 D HN 0.854 nan 8.370 nan 0.000 0.446 1505 E N 0.292 120.504 120.200 0.019 0.000 2.187 1505 E HA -0.240 4.109 4.350 -0.001 0.000 0.199 1505 E C 1.880 178.496 176.600 0.027 0.000 1.004 1505 E CA 1.142 57.554 56.400 0.019 0.000 0.813 1505 E CB -0.165 29.544 29.700 0.016 0.000 0.736 1505 E HN 0.502 nan 8.360 nan 0.000 0.468 1506 E N 0.123 120.342 120.200 0.031 0.000 2.170 1506 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 1506 E C 1.904 178.534 176.600 0.051 0.000 0.981 1506 E CA 0.349 56.774 56.400 0.043 0.000 0.830 1506 E CB 0.078 29.804 29.700 0.044 0.000 0.775 1506 E HN 0.111 nan 8.360 nan 0.000 0.470 1507 L N 1.061 122.309 121.223 0.040 0.000 2.083 1507 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 1507 L C 2.415 179.328 176.870 0.073 0.000 1.083 1507 L CA 1.683 56.551 54.840 0.048 0.000 0.752 1507 L CB -0.768 41.310 42.059 0.032 0.000 0.899 1507 L HN 0.080 nan 8.230 nan 0.000 0.433 1508 A N -0.743 122.112 122.820 0.058 0.000 1.940 1508 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 1508 A C 2.223 179.850 177.584 0.071 0.000 1.176 1508 A CA 1.641 53.714 52.037 0.061 0.000 0.631 1508 A CB -0.529 18.491 19.000 0.033 0.000 0.814 1508 A HN 0.587 nan 8.150 nan 0.000 0.446 1509 Q N -1.895 117.943 119.800 0.063 0.000 2.369 1509 Q HA 0.220 4.559 4.340 -0.001 0.000 0.206 1509 Q C 1.221 177.302 176.000 0.134 0.000 0.963 1509 Q CA 0.568 56.405 55.803 0.056 0.000 0.894 1509 Q CB -0.014 28.752 28.738 0.047 0.000 0.965 1509 Q HN 0.918 nan 8.270 nan 0.000 0.475 1510 G N 1.106 110.016 108.800 0.183 0.000 2.168 1510 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.197 1510 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.197 1510 G C -0.199 174.840 174.900 0.233 0.000 0.997 1510 G CA -0.613 44.650 45.100 0.272 0.000 0.658 1510 G HN 0.151 nan 8.290 nan 0.000 0.513 1511 R N 0.153 120.748 120.500 0.158 0.000 2.267 1511 R HA 0.544 4.883 4.340 -0.001 0.000 0.319 1511 R C 1.211 177.534 176.300 0.038 0.000 1.067 1511 R CA -0.334 55.843 56.100 0.128 0.000 0.936 1511 R CB 0.595 30.963 30.300 0.113 0.000 1.006 1511 R HN 0.251 nan 8.270 nan 0.000 0.452 1512 L N 3.023 124.220 121.223 -0.044 0.000 2.607 1512 L HA 0.198 4.538 4.340 -0.001 0.000 0.228 1512 L C -0.376 176.097 176.870 -0.662 0.000 1.123 1512 L CA 0.279 54.923 54.840 -0.327 0.000 0.890 1512 L CB 0.155 41.958 42.059 -0.428 0.000 1.103 1512 L HN 0.564 nan 8.230 nan 0.000 0.468 1513 Y N -1.717 118.529 120.300 -0.090 0.000 2.581 1513 Y HA 0.445 4.994 4.550 -0.001 0.000 0.345 1513 Y C -2.374 173.461 175.900 -0.108 0.000 1.036 1513 Y CA -2.854 55.112 58.100 -0.223 0.000 1.042 1513 Y CB 0.786 38.927 38.460 -0.531 0.000 1.289 1513 Y HN -0.249 nan 8.280 nan 0.000 0.471 1514 P HA 0.024 nan 4.420 nan 0.000 0.268 1514 P C -2.547 174.892 177.300 0.231 0.000 1.208 1514 P CA -0.823 62.358 63.100 0.135 0.000 0.777 1514 P CB -0.085 31.705 31.700 0.150 0.000 0.875 1515 P HA -0.052 nan 4.420 nan 0.000 0.264 1515 P C 0.683 178.100 177.300 0.195 0.000 1.193 1515 P CA -0.040 63.166 63.100 0.176 0.000 0.763 1515 P CB 0.588 32.354 31.700 0.110 0.000 0.810 1516 L N 4.574 125.911 121.223 0.191 0.000 2.189 1516 L HA -0.189 4.150 4.340 -0.001 0.000 0.214 1516 L C 2.423 179.294 176.870 0.002 0.000 1.097 1516 L CA 2.126 56.999 54.840 0.056 0.000 0.764 1516 L CB -1.459 40.616 42.059 0.026 0.000 0.900 1516 L HN 0.491 nan 8.230 nan 0.000 0.436 1517 A N -0.913 121.929 122.820 0.037 0.000 2.070 1517 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 1517 A C 1.724 179.313 177.584 0.009 0.000 1.159 1517 A CA 1.817 53.865 52.037 0.017 0.000 0.656 1517 A CB -0.775 18.242 19.000 0.029 0.000 0.800 1517 A HN 0.737 nan 8.150 nan 0.000 0.453 1518 N N -0.802 117.915 118.700 0.029 0.000 2.273 1518 N HA 0.263 5.003 4.740 -0.001 0.000 0.231 1518 N C 1.021 176.538 175.510 0.013 0.000 1.134 1518 N CA -0.110 52.954 53.050 0.024 0.000 0.856 1518 N CB 0.246 38.761 38.487 0.047 0.000 1.068 1518 N HN 0.497 nan 8.380 nan 0.000 0.510 1519 I N 0.930 121.480 120.570 -0.034 0.000 2.530 1519 I HA -0.315 3.855 4.170 -0.001 0.000 0.257 1519 I C 2.378 178.441 176.117 -0.091 0.000 1.179 1519 I CA 1.389 62.627 61.300 -0.103 0.000 1.440 1519 I CB 0.171 38.009 38.000 -0.269 0.000 1.087 1519 I HN 0.289 nan 8.210 nan 0.000 0.440 1520 Q N 0.421 120.181 119.800 -0.067 0.000 2.020 1520 Q HA -0.284 4.055 4.340 -0.001 0.000 0.198 1520 Q C 2.144 178.120 176.000 -0.040 0.000 0.974 1520 Q CA 1.983 57.751 55.803 -0.058 0.000 0.829 1520 Q CB -0.107 28.604 28.738 -0.044 0.000 0.894 1520 Q HN 0.558 nan 8.270 nan 0.000 0.433 1521 E N -0.549 119.638 120.200 -0.021 0.000 2.110 1521 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 1521 E C 1.880 178.480 176.600 0.001 0.000 0.988 1521 E CA 1.270 57.665 56.400 -0.009 0.000 0.804 1521 E CB 0.132 29.832 29.700 0.001 0.000 0.745 1521 E HN 0.200 nan 8.360 nan 0.000 0.458 1522 V N 0.746 120.669 119.914 0.016 0.000 2.407 1522 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 1522 V C 2.400 178.502 176.094 0.014 0.000 1.055 1522 V CA 1.889 64.214 62.300 0.042 0.000 1.049 1522 V CB -0.385 31.505 31.823 0.112 0.000 0.662 1522 V HN 0.258 nan 8.190 nan 0.000 0.455 1523 S N -0.147 115.538 115.700 -0.026 0.000 2.368 1523 S HA -0.061 4.408 4.470 -0.001 0.000 0.224 1523 S C 1.878 176.446 174.600 -0.053 0.000 1.029 1523 S CA 1.460 59.621 58.200 -0.064 0.000 0.988 1523 S CB -0.284 62.846 63.200 -0.117 0.000 0.838 1523 S HN 0.513 nan 8.310 nan 0.000 0.462 1524 I N 2.172 122.718 120.570 -0.040 0.000 2.226 1524 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 1524 I C 2.022 178.130 176.117 -0.014 0.000 1.100 1524 I CA 0.872 62.154 61.300 -0.030 0.000 1.374 1524 I CB -0.478 37.507 38.000 -0.025 0.000 1.057 1524 I HN 0.233 nan 8.210 nan 0.000 0.413 1525 N N 0.923 119.620 118.700 -0.005 0.000 2.166 1525 N HA -0.121 4.618 4.740 -0.001 0.000 0.186 1525 N C 1.845 177.356 175.510 0.002 0.000 1.019 1525 N CA 1.231 54.284 53.050 0.006 0.000 0.856 1525 N CB -0.166 38.329 38.487 0.013 0.000 0.993 1525 N HN 0.256 nan 8.380 nan 0.000 0.426 1526 I N 1.259 121.823 120.570 -0.010 0.000 2.179 1526 I HA -0.168 4.001 4.170 -0.001 0.000 0.242 1526 I C 2.297 178.394 176.117 -0.032 0.000 1.088 1526 I CA 0.771 62.056 61.300 -0.025 0.000 1.357 1526 I CB -1.467 36.508 38.000 -0.042 0.000 1.051 1526 I HN 0.012 nan 8.210 nan 0.000 0.409 1527 A N 1.169 123.969 122.820 -0.034 0.000 1.933 1527 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 1527 A C 2.365 179.964 177.584 0.024 0.000 1.175 1527 A CA 1.392 53.415 52.037 -0.023 0.000 0.628 1527 A CB -0.729 18.253 19.000 -0.031 0.000 0.814 1527 A HN 0.401 nan 8.150 nan 0.000 0.444 1528 I N -0.769 119.821 120.570 0.032 0.000 2.252 1528 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 1528 I C 2.351 178.510 176.117 0.070 0.000 1.102 1528 I CA 1.175 62.513 61.300 0.063 0.000 1.385 1528 I CB -0.292 37.737 38.000 0.050 0.000 1.064 1528 I HN 0.174 nan 8.210 nan 0.000 0.414 1529 K N 0.636 121.063 120.400 0.045 0.000 2.097 1529 K HA -0.071 4.248 4.320 -0.001 0.000 0.205 1529 K C 2.125 178.770 176.600 0.075 0.000 1.050 1529 K CA 1.075 57.393 56.287 0.052 0.000 0.938 1529 K CB -0.403 32.109 32.500 0.020 0.000 0.718 1529 K HN 0.223 nan 8.250 nan 0.000 0.442 1530 V N 1.640 121.577 119.914 0.039 0.000 2.548 1530 V HA -0.192 3.927 4.120 -0.001 0.000 0.249 1530 V C 2.605 178.772 176.094 0.122 0.000 1.055 1530 V CA 2.179 64.507 62.300 0.047 0.000 1.065 1530 V CB -0.940 30.850 31.823 -0.054 0.000 0.681 1530 V HN 0.500 nan 8.190 nan 0.000 0.462 1531 T N -1.511 113.116 114.554 0.122 0.000 2.821 1531 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 1531 T C 1.638 176.484 174.700 0.244 0.000 1.046 1531 T CA 1.585 63.792 62.100 0.178 0.000 1.139 1531 T CB -0.351 68.670 68.868 0.255 0.000 0.871 1531 T HN 0.577 nan 8.240 nan 0.000 0.454 1532 E N -0.026 120.294 120.200 0.199 0.000 2.106 1532 E HA -0.082 4.267 4.350 -0.001 0.000 0.192 1532 E C 1.901 178.599 176.600 0.162 0.000 0.984 1532 E CA 1.138 57.641 56.400 0.171 0.000 0.806 1532 E CB -0.312 29.456 29.700 0.114 0.000 0.750 1532 E HN 0.677 nan 8.360 nan 0.000 0.458 1533 Y N 1.570 121.898 120.300 0.047 0.000 2.163 1533 Y HA -0.189 4.360 4.550 -0.001 0.000 0.288 1533 Y C 1.975 177.881 175.900 0.010 0.000 1.136 1533 Y CA 1.337 59.450 58.100 0.022 0.000 1.147 1533 Y CB -0.197 38.263 38.460 -0.001 0.000 0.987 1533 Y HN -0.080 nan 8.280 nan 0.000 0.509 1534 L N -1.203 120.053 121.223 0.056 0.000 2.012 1534 L HA -0.286 4.053 4.340 -0.001 0.000 0.210 1534 L C 2.259 179.011 176.870 -0.196 0.000 1.073 1534 L CA 1.836 56.616 54.840 -0.100 0.000 0.748 1534 L CB -0.916 41.093 42.059 -0.084 0.000 0.891 1534 L HN 0.257 nan 8.230 nan 0.000 0.431 1535 Y N -0.363 119.874 120.300 -0.104 0.000 2.114 1535 Y HA -0.291 4.259 4.550 -0.001 0.000 0.284 1535 Y C 2.665 178.471 175.900 -0.157 0.000 1.143 1535 Y CA 1.246 59.266 58.100 -0.133 0.000 1.135 1535 Y CB -0.445 37.952 38.460 -0.105 0.000 0.980 1535 Y HN 0.155 nan 8.280 nan 0.000 0.499 1536 A N 0.075 122.907 122.820 0.020 0.000 1.986 1536 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 1536 A C 1.599 179.093 177.584 -0.149 0.000 1.171 1536 A CA 1.953 53.952 52.037 -0.064 0.000 0.640 1536 A CB -0.553 18.406 19.000 -0.069 0.000 0.811 1536 A HN 0.520 nan 8.150 nan 0.000 0.451 1537 N N -0.086 118.459 118.700 -0.258 0.000 2.251 1537 N HA 0.059 4.798 4.740 -0.001 0.000 0.217 1537 N C -0.621 174.777 175.510 -0.188 0.000 1.124 1537 N CA 0.033 52.919 53.050 -0.273 0.000 0.843 1537 N CB 0.306 38.499 38.487 -0.491 0.000 1.024 1537 N HN 0.212 nan 8.380 nan 0.000 0.501 1541 F N 0.617 120.493 119.950 -0.122 0.000 2.729 1541 F HA 0.310 4.836 4.527 -0.001 0.000 0.315 1541 F C 1.218 177.102 175.800 0.139 0.000 1.102 1541 F CA -0.260 57.753 58.000 0.022 0.000 1.204 1541 F CB 0.709 39.726 39.000 0.028 0.000 1.052 1541 F HN 0.536 nan 8.300 nan 0.000 0.551 1542 R N 2.379 123.009 120.500 0.217 0.000 2.370 1542 R HA 0.098 4.437 4.340 -0.001 0.000 0.309 1542 R C -1.254 175.233 176.300 0.311 0.000 1.059 1542 R CA 0.067 56.323 56.100 0.260 0.000 0.981 1542 R CB -0.342 30.099 30.300 0.235 0.000 0.972 1542 R HN 0.363 nan 8.270 nan 0.000 0.437 1543 Y N 2.882 123.264 120.300 0.135 0.000 2.446 1543 Y HA 0.693 5.242 4.550 -0.001 0.000 0.345 1543 Y C -2.406 173.531 175.900 0.061 0.000 0.984 1543 Y CA -2.697 55.455 58.100 0.087 0.000 1.058 1543 Y CB 0.656 39.163 38.460 0.078 0.000 1.220 1543 Y HN 0.467 nan 8.280 nan 0.000 0.455 1544 P HA 0.157 nan 4.420 nan 0.000 0.274 1544 P C -1.141 176.132 177.300 -0.044 0.000 1.246 1544 P CA -0.710 62.432 63.100 0.071 0.000 0.795 1544 P CB 0.705 32.417 31.700 0.019 0.000 1.006 1545 E N 2.162 122.296 120.200 -0.109 0.000 2.290 1545 E HA 0.111 4.460 4.350 -0.001 0.000 0.277 1545 E C -1.869 174.451 176.600 -0.466 0.000 1.035 1545 E CA -1.797 54.345 56.400 -0.430 0.000 0.873 1545 E CB 0.150 29.552 29.700 -0.497 0.000 1.029 1545 E HN 0.268 nan 8.360 nan 0.000 0.419 1546 P HA 0.006 nan 4.420 nan 0.000 0.271 1546 P C -0.054 177.045 177.300 -0.336 0.000 1.216 1546 P CA -0.056 62.780 63.100 -0.439 0.000 0.776 1546 P CB 1.116 32.449 31.700 -0.610 0.000 0.881 1547 E N 0.809 120.894 120.200 -0.191 0.000 2.046 1547 E HA -0.089 4.260 4.350 -0.001 0.000 0.190 1547 E C 0.337 176.873 176.600 -0.107 0.000 0.982 1547 E CA 1.329 57.645 56.400 -0.140 0.000 0.800 1547 E CB -0.135 29.514 29.700 -0.086 0.000 0.756 1547 E HN 0.526 nan 8.360 nan 0.000 0.449 1548 D N 0.549 120.909 120.400 -0.067 0.000 2.473 1548 D HA 0.096 4.736 4.640 -0.001 0.000 0.226 1548 D C 0.433 176.745 176.300 0.020 0.000 1.089 1548 D CA -0.255 53.733 54.000 -0.020 0.000 0.883 1548 D CB 0.827 41.628 40.800 0.003 0.000 1.029 1548 D HN -0.299 nan 8.370 nan 0.000 0.517 1549 K N 2.136 122.545 120.400 0.015 0.000 2.063 1549 K HA -0.060 4.259 4.320 -0.001 0.000 0.208 1549 K C 1.867 178.555 176.600 0.147 0.000 1.048 1549 K CA 1.382 57.729 56.287 0.100 0.000 0.928 1549 K CB -0.285 32.265 32.500 0.083 0.000 0.713 1549 K HN 0.434 nan 8.250 nan 0.000 0.442 1550 A N 1.145 124.014 122.820 0.082 0.000 1.883 1550 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 1550 A C 2.158 179.779 177.584 0.062 0.000 1.186 1550 A CA 2.114 54.188 52.037 0.062 0.000 0.624 1550 A CB -0.516 18.506 19.000 0.036 0.000 0.822 1550 A HN 0.319 nan 8.150 nan 0.000 0.444 1551 K N -2.038 118.402 120.400 0.066 0.000 2.097 1551 K HA -0.187 4.132 4.320 -0.001 0.000 0.205 1551 K C 1.932 178.584 176.600 0.087 0.000 1.050 1551 K CA 1.551 57.873 56.287 0.057 0.000 0.938 1551 K CB -0.365 32.164 32.500 0.048 0.000 0.718 1551 K HN 0.527 nan 8.250 nan 0.000 0.442 1552 Y N 1.013 121.311 120.300 -0.004 0.000 2.145 1552 Y HA -0.238 4.311 4.550 -0.001 0.000 0.286 1552 Y C 1.784 177.693 175.900 0.015 0.000 1.145 1552 Y CA 1.609 59.712 58.100 0.005 0.000 1.148 1552 Y CB -0.397 38.068 38.460 0.008 0.000 0.981 1552 Y HN -0.157 nan 8.280 nan 0.000 0.507 1553 V N 0.662 120.551 119.914 -0.042 0.000 2.307 1553 V HA -0.280 3.839 4.120 -0.001 0.000 0.245 1553 V C 2.260 178.285 176.094 -0.116 0.000 1.045 1553 V CA 2.293 64.512 62.300 -0.136 0.000 1.024 1553 V CB -0.653 31.168 31.823 -0.004 0.000 0.651 1553 V HN 0.290 nan 8.190 nan 0.000 0.449 1554 K N -0.016 120.352 120.400 -0.054 0.000 2.103 1554 K HA -0.213 4.106 4.320 -0.001 0.000 0.207 1554 K C 2.086 178.648 176.600 -0.063 0.000 1.048 1554 K CA 1.703 57.962 56.287 -0.047 0.000 0.930 1554 K CB -0.194 32.292 32.500 -0.024 0.000 0.716 1554 K HN 0.550 nan 8.250 nan 0.000 0.444 1555 E N 0.158 120.314 120.200 -0.073 0.000 2.268 1555 E HA -0.118 4.232 4.350 -0.001 0.000 0.195 1555 E C 1.385 177.929 176.600 -0.094 0.000 0.995 1555 E CA 0.682 57.039 56.400 -0.071 0.000 0.836 1555 E CB 0.179 29.849 29.700 -0.050 0.000 0.763 1555 E HN 0.204 nan 8.360 nan 0.000 0.491 1556 R N 0.581 120.994 120.500 -0.145 0.000 2.362 1556 R HA 0.054 4.393 4.340 -0.001 0.000 0.227 1556 R C 0.250 176.509 176.300 -0.068 0.000 0.905 1556 R CA 0.095 56.115 56.100 -0.133 0.000 1.067 1556 R CB 0.627 30.779 30.300 -0.247 0.000 1.078 1556 R HN 0.041 nan 8.270 nan 0.000 0.516 1557 T N -1.821 112.702 114.554 -0.052 0.000 2.884 1557 T HA 0.072 4.421 4.350 -0.001 0.000 0.298 1557 T C -0.292 174.439 174.700 0.051 0.000 0.998 1557 T CA -0.746 61.353 62.100 -0.001 0.000 1.124 1557 T CB 1.164 70.021 68.868 -0.019 0.000 0.931 1557 T HN 0.221 nan 8.240 nan 0.000 0.531 1558 W N 4.132 125.371 121.300 -0.102 0.000 2.216 1558 W HA 0.379 5.038 4.660 -0.002 0.000 0.326 1558 W C -0.009 176.447 176.519 -0.105 0.000 1.319 1558 W CA -0.809 56.475 57.345 -0.101 0.000 1.213 1558 W CB 0.556 29.942 29.460 -0.123 0.000 1.171 1558 W HN 0.543 nan 8.180 nan 0.000 0.557 1559 R N 3.248 123.317 120.500 -0.717 0.000 2.668 1559 R HA 0.191 4.530 4.340 -0.001 0.000 0.279 1559 R C 1.034 176.571 176.300 -1.273 0.000 0.976 1559 R CA -0.056 55.622 56.100 -0.704 0.000 0.978 1559 R CB 1.295 31.327 30.300 -0.446 0.000 1.133 1559 R HN 0.680 nan 8.270 nan 0.000 0.484 1560 S N -0.474 114.754 115.700 -0.788 0.000 2.558 1560 S HA 0.015 4.484 4.470 -0.001 0.000 0.217 1560 S C 0.109 174.377 174.600 -0.552 0.000 0.975 1560 S CA -0.100 57.690 58.200 -0.684 0.000 0.912 1560 S CB 0.032 63.081 63.200 -0.253 0.000 0.776 1560 S HN 0.481 nan 8.310 nan 0.000 0.526 1561 E N 1.507 121.423 120.200 -0.473 0.000 2.392 1561 E HA 0.279 4.628 4.350 -0.001 0.000 0.264 1561 E C -0.650 175.761 176.600 -0.315 0.000 1.024 1561 E CA -0.178 56.003 56.400 -0.364 0.000 0.903 1561 E CB 0.093 29.654 29.700 -0.232 0.000 0.963 1561 E HN 0.482 nan 8.360 nan 0.000 0.432 1562 Y N 1.441 121.652 120.300 -0.149 0.000 2.578 1562 Y HA -0.006 4.543 4.550 -0.001 0.000 0.339 1562 Y C 0.788 176.622 175.900 -0.110 0.000 1.231 1562 Y CA 0.175 58.197 58.100 -0.128 0.000 1.461 1562 Y CB 0.639 39.026 38.460 -0.121 0.000 1.323 1562 Y HN 0.382 nan 8.280 nan 0.000 0.590 1563 D N 0.336 120.798 120.400 0.103 0.000 2.326 1563 D HA 0.123 4.762 4.640 -0.001 0.000 0.251 1563 D C -0.725 175.604 176.300 0.050 0.000 1.023 1563 D CA -0.446 53.580 54.000 0.043 0.000 0.966 1563 D CB 1.887 42.707 40.800 0.033 0.000 1.156 1563 D HN 0.363 nan 8.370 nan 0.000 0.494 1564 S N 0.387 116.111 115.700 0.039 0.000 2.545 1564 S HA 0.226 4.695 4.470 -0.001 0.000 0.275 1564 S C 0.952 175.586 174.600 0.058 0.000 1.299 1564 S CA -0.485 57.741 58.200 0.043 0.000 1.048 1564 S CB 0.201 63.423 63.200 0.037 0.000 0.938 1564 S HN 0.321 nan 8.310 nan 0.000 0.496 1565 L N 4.838 126.108 121.223 0.077 0.000 2.667 1565 L HA 0.331 4.670 4.340 -0.001 0.000 0.232 1565 L C 0.116 177.029 176.870 0.071 0.000 1.138 1565 L CA -0.127 54.767 54.840 0.092 0.000 0.921 1565 L CB -0.109 42.040 42.059 0.150 0.000 1.180 1565 L HN 0.487 nan 8.230 nan 0.000 0.487 1566 L N 2.577 123.835 121.223 0.059 0.000 2.456 1566 L HA 0.145 4.484 4.340 -0.001 0.000 0.272 1566 L C -1.463 175.432 176.870 0.042 0.000 1.189 1566 L CA -1.315 53.551 54.840 0.044 0.000 0.846 1566 L CB 0.187 42.270 42.059 0.040 0.000 1.111 1566 L HN -0.022 nan 8.230 nan 0.000 0.475 1567 P HA 0.037 nan 4.420 nan 0.000 0.274 1567 P C -0.966 176.364 177.300 0.051 0.000 1.237 1567 P CA -0.525 62.595 63.100 0.032 0.000 0.793 1567 P CB 0.773 32.477 31.700 0.008 0.000 0.977 1568 D N 1.374 121.824 120.400 0.084 0.000 2.383 1568 D HA 0.150 4.789 4.640 -0.001 0.000 0.245 1568 D C -0.552 175.851 176.300 0.173 0.000 1.263 1568 D CA 0.077 54.173 54.000 0.159 0.000 0.936 1568 D CB 0.031 40.961 40.800 0.217 0.000 1.053 1568 D HN -0.042 nan 8.370 nan 0.000 0.507 1569 V N 5.889 125.875 119.914 0.120 0.000 2.394 1569 V HA 0.455 4.574 4.120 -0.001 0.000 0.282 1569 V C -0.401 175.764 176.094 0.118 0.000 1.031 1569 V CA -0.594 61.705 62.300 -0.002 0.000 0.881 1569 V CB 0.742 32.544 31.823 -0.034 0.000 0.982 1569 V HN 0.385 nan 8.190 nan 0.000 0.451 1570 Y N 0.940 121.224 120.300 -0.026 0.000 2.592 1570 Y HA 0.678 5.227 4.550 -0.001 0.000 0.334 1570 Y C -0.637 175.267 175.900 0.007 0.000 1.136 1570 Y CA -1.341 56.765 58.100 0.010 0.000 1.042 1570 Y CB 1.284 39.773 38.460 0.050 0.000 1.325 1570 Y HN 0.576 nan 8.280 nan 0.000 0.457 1571 E N 1.840 122.153 120.200 0.188 0.000 2.331 1571 E HA 0.206 4.556 4.350 -0.001 0.000 0.272 1571 E C -1.349 175.459 176.600 0.348 0.000 1.036 1571 E CA -0.551 55.936 56.400 0.145 0.000 0.864 1571 E CB 0.644 30.415 29.700 0.118 0.000 1.035 1571 E HN 0.595 nan 8.360 nan 0.000 0.408 1572 W N 3.688 125.025 121.300 0.061 0.000 2.381 1572 W HA 0.319 4.978 4.660 -0.001 0.000 0.329 1572 W C -1.550 175.003 176.519 0.057 0.000 1.157 1572 W CA -2.205 55.188 57.345 0.081 0.000 1.240 1572 W CB -0.145 29.338 29.460 0.038 0.000 1.199 1572 W HN 0.603 nan 8.180 nan 0.000 0.579 1573 P HA 0.000 nan 4.420 nan 0.000 0.216 1573 P CA 0.000 63.154 63.100 0.090 0.000 0.800 1573 P CB 0.000 31.706 31.700 0.010 0.000 0.726