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 1ofq_1_A DATA FIRST_RESID 1023 DATA SEQUENCE VRILGYDPLA SPALLQVQIP ATPTSLETAK RGRREAIDII TGKDDRVLVI DATA SEQUENCE VGPCSIHDLE AAQEYALRLK KLSDELKGDL SIIMRAYLEK PXXXVGWKGL DATA SEQUENCE INDPDVNNTF NINKGLQSAR QLFVNLTNIG LPIGSEMLDT ISPQYLADLV DATA SEQUENCE SFGAIGARTT ESQLHRELAS GLSFPVGFKN GTDGTLNVAV DACQAAAHSH DATA SEQUENCE HFMGVTXHGV AAITTTKGNE HCFVILRGGK KGTNYDAKSV AEAKAQLPAG DATA SEQUENCE SNGLMIDYSH GNSNKDFRNQ PKVNDVVCEQ IANGENAITG VMIESNINEG DATA SEQUENCE NQGIPAEGKA GLKYGVSITD ACIGWETTED VLRKLAAAVR QRREVNK 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 1023 V HA 0.000 nan 4.120 nan 0.000 0.244 1023 V C 0.000 176.077 176.094 -0.029 0.000 1.182 1023 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 1023 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 1024 R N 0.403 120.882 120.500 -0.035 0.000 2.543 1024 R HA 0.448 4.788 4.340 0.000 0.000 0.323 1024 R C -0.332 175.924 176.300 -0.074 0.000 1.002 1024 R CA -0.112 55.961 56.100 -0.046 0.000 1.106 1024 R CB 0.926 31.205 30.300 -0.035 0.000 1.280 1024 R HN 0.251 nan 8.270 nan 0.000 0.549 1025 I N 1.940 122.454 120.570 -0.093 0.000 2.354 1025 I HA 0.069 4.239 4.170 0.000 0.000 0.286 1025 I C 1.160 177.170 176.117 -0.179 0.000 1.007 1025 I CA -0.448 60.751 61.300 -0.169 0.000 1.167 1025 I CB 1.679 39.555 38.000 -0.207 0.000 1.320 1025 I HN -0.011 nan 8.210 nan 0.000 0.458 1026 L N 4.849 125.960 121.223 -0.186 0.000 2.217 1026 L HA 0.169 4.509 4.340 0.000 0.000 0.211 1026 L C 1.057 177.821 176.870 -0.176 0.000 1.107 1026 L CA 0.901 55.652 54.840 -0.149 0.000 0.783 1026 L CB -0.824 41.160 42.059 -0.126 0.000 0.919 1026 L HN 0.853 nan 8.230 nan 0.000 0.442 1027 G N -2.151 106.464 108.800 -0.307 0.000 2.361 1027 G HA2 0.110 4.070 3.960 0.000 0.000 0.305 1027 G HA3 0.110 4.070 3.960 0.000 0.000 0.305 1027 G C -1.951 172.677 174.900 -0.453 0.000 1.367 1027 G CA -0.851 44.064 45.100 -0.309 0.000 0.951 1027 G HN -0.089 nan 8.290 nan 0.000 0.615 1028 Y N 0.697 120.984 120.300 -0.022 0.000 2.341 1028 Y HA 0.528 5.078 4.550 -0.000 0.000 0.338 1028 Y C -0.004 175.886 175.900 -0.016 0.000 0.965 1028 Y CA -0.801 57.287 58.100 -0.021 0.000 1.108 1028 Y CB 2.034 40.486 38.460 -0.013 0.000 1.180 1028 Y HN 0.360 nan 8.280 nan 0.000 0.458 1029 D N 4.504 124.973 120.400 0.115 0.000 2.229 1029 D HA 0.276 4.916 4.640 0.000 0.000 0.249 1029 D C -2.215 174.131 176.300 0.077 0.000 1.027 1029 D CA -1.249 52.792 54.000 0.069 0.000 0.923 1029 D CB 1.373 42.190 40.800 0.028 0.000 1.174 1029 D HN 0.355 nan 8.370 nan 0.000 0.443 1030 P HA 0.154 nan 4.420 nan 0.000 0.268 1030 P C -0.862 176.465 177.300 0.045 0.000 1.205 1030 P CA -0.427 62.702 63.100 0.048 0.000 0.771 1030 P CB 0.840 32.562 31.700 0.037 0.000 0.858 1031 L N 2.542 123.796 121.223 0.052 0.000 2.376 1031 L HA 0.626 4.966 4.340 0.000 0.000 0.275 1031 L C -0.334 176.587 176.870 0.084 0.000 0.987 1031 L CA -0.784 54.092 54.840 0.059 0.000 0.828 1031 L CB 1.596 43.701 42.059 0.077 0.000 1.249 1031 L HN 0.559 nan 8.230 nan 0.000 0.409 1032 A N 3.380 126.249 122.820 0.081 0.000 2.477 1032 A HA 0.494 4.814 4.320 0.000 0.000 0.246 1032 A C 0.522 178.240 177.584 0.223 0.000 1.078 1032 A CA 0.374 52.479 52.037 0.113 0.000 0.770 1032 A CB -0.174 18.879 19.000 0.088 0.000 1.011 1032 A HN 0.968 nan 8.150 nan 0.000 0.494 1033 S N 2.638 118.440 115.700 0.169 0.000 2.600 1033 S HA 0.303 4.773 4.470 0.000 0.000 0.265 1033 S C -1.937 172.742 174.600 0.132 0.000 1.325 1033 S CA -0.652 57.629 58.200 0.135 0.000 1.002 1033 S CB 0.493 63.737 63.200 0.073 0.000 0.921 1033 S HN 0.443 nan 8.310 nan 0.000 0.554 1034 P HA -0.037 nan 4.420 nan 0.000 0.215 1034 P C 1.704 178.970 177.300 -0.057 0.000 1.153 1034 P CA 1.954 64.855 63.100 -0.333 0.000 0.853 1034 P CB -0.279 31.020 31.700 -0.668 0.000 0.788 1035 A N -0.597 122.191 122.820 -0.053 0.000 1.917 1035 A HA -0.223 4.097 4.320 0.000 0.000 0.219 1035 A C 2.144 179.761 177.584 0.055 0.000 1.182 1035 A CA 1.736 53.782 52.037 0.014 0.000 0.633 1035 A CB -1.711 17.344 19.000 0.092 0.000 0.819 1035 A HN 0.164 nan 8.150 nan 0.000 0.448 1036 L N -0.917 120.351 121.223 0.074 0.000 2.056 1036 L HA -0.057 4.283 4.340 0.000 0.000 0.207 1036 L C 2.157 179.076 176.870 0.082 0.000 1.078 1036 L CA 1.489 56.375 54.840 0.076 0.000 0.749 1036 L CB -0.526 41.581 42.059 0.080 0.000 0.901 1036 L HN 0.317 nan 8.230 nan 0.000 0.433 1037 L N -0.317 120.978 121.223 0.119 0.000 2.083 1037 L HA -0.215 4.125 4.340 0.000 0.000 0.209 1037 L C 2.487 179.412 176.870 0.091 0.000 1.083 1037 L CA 1.783 56.698 54.840 0.125 0.000 0.752 1037 L CB -1.065 41.134 42.059 0.233 0.000 0.899 1037 L HN 0.530 nan 8.230 nan 0.000 0.433 1038 Q N -1.483 118.365 119.800 0.080 0.000 2.226 1038 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 1038 Q C 2.142 178.172 176.000 0.050 0.000 0.975 1038 Q CA 1.177 57.015 55.803 0.059 0.000 0.866 1038 Q CB 0.004 28.766 28.738 0.039 0.000 0.915 1038 Q HN 0.382 nan 8.270 nan 0.000 0.440 1039 V N 1.027 120.970 119.914 0.048 0.000 2.407 1039 V HA -0.214 3.906 4.120 0.000 0.000 0.245 1039 V C 2.058 178.175 176.094 0.038 0.000 1.041 1039 V CA 1.577 63.901 62.300 0.041 0.000 1.040 1039 V CB -0.320 31.526 31.823 0.040 0.000 0.671 1039 V HN 0.361 nan 8.190 nan 0.000 0.455 1040 Q N -0.158 119.667 119.800 0.041 0.000 2.119 1040 Q HA 0.057 4.397 4.340 0.000 0.000 0.201 1040 Q C 0.649 176.670 176.000 0.034 0.000 0.972 1040 Q CA 1.092 56.916 55.803 0.035 0.000 0.847 1040 Q CB 0.143 28.902 28.738 0.035 0.000 0.903 1040 Q HN 0.504 nan 8.270 nan 0.000 0.433 1041 I N 2.635 123.229 120.570 0.040 0.000 2.697 1041 I HA 0.249 4.419 4.170 0.000 0.000 0.279 1041 I C -2.351 173.794 176.117 0.047 0.000 1.171 1041 I CA -2.144 59.180 61.300 0.040 0.000 1.135 1041 I CB 1.109 39.132 38.000 0.038 0.000 1.445 1041 I HN -0.098 nan 8.210 nan 0.000 0.541 1042 P HA 0.140 nan 4.420 nan 0.000 0.271 1042 P C -0.368 176.961 177.300 0.047 0.000 1.218 1042 P CA -0.187 62.938 63.100 0.043 0.000 0.780 1042 P CB 1.453 33.174 31.700 0.035 0.000 0.901 1043 A N 2.901 125.751 122.820 0.051 0.000 2.309 1043 A HA 0.456 4.776 4.320 0.000 0.000 0.290 1043 A C 0.916 178.525 177.584 0.043 0.000 1.206 1043 A CA -0.290 51.780 52.037 0.054 0.000 0.850 1043 A CB -0.512 18.525 19.000 0.062 0.000 1.118 1043 A HN 0.635 nan 8.150 nan 0.000 0.523 1044 T N 1.400 115.978 114.554 0.039 0.000 2.856 1044 T HA 0.278 4.628 4.350 0.000 0.000 0.306 1044 T C -1.725 172.992 174.700 0.029 0.000 1.062 1044 T CA -0.952 61.167 62.100 0.031 0.000 1.083 1044 T CB 0.442 69.327 68.868 0.027 0.000 0.984 1044 T HN 0.333 nan 8.240 nan 0.000 0.542 1045 P HA -0.106 nan 4.420 nan 0.000 0.216 1045 P C 1.700 179.013 177.300 0.022 0.000 1.153 1045 P CA 1.259 64.373 63.100 0.023 0.000 0.858 1045 P CB -0.239 31.472 31.700 0.019 0.000 0.789 1046 T N -0.997 113.569 114.554 0.020 0.000 2.684 1046 T HA -0.140 4.210 4.350 0.000 0.000 0.267 1046 T C 1.976 176.687 174.700 0.019 0.000 1.036 1046 T CA 1.872 63.983 62.100 0.017 0.000 1.148 1046 T CB -0.970 67.906 68.868 0.014 0.000 0.863 1046 T HN 0.107 nan 8.240 nan 0.000 0.436 1047 S N 1.147 116.861 115.700 0.024 0.000 2.359 1047 S HA -0.069 4.401 4.470 0.000 0.000 0.224 1047 S C 1.961 176.578 174.600 0.028 0.000 1.035 1047 S CA 0.838 59.055 58.200 0.028 0.000 1.018 1047 S CB -0.479 62.747 63.200 0.042 0.000 0.876 1047 S HN 0.152 nan 8.310 nan 0.000 0.448 1048 L N 1.933 123.176 121.223 0.033 0.000 2.017 1048 L HA -0.087 4.253 4.340 0.000 0.000 0.208 1048 L C 2.960 179.849 176.870 0.031 0.000 1.073 1048 L CA 2.296 57.158 54.840 0.036 0.000 0.745 1048 L CB -1.676 40.406 42.059 0.037 0.000 0.894 1048 L HN 0.512 nan 8.230 nan 0.000 0.432 1049 E N -1.283 118.932 120.200 0.025 0.000 2.077 1049 E HA -0.210 4.140 4.350 0.000 0.000 0.193 1049 E C 2.135 178.746 176.600 0.017 0.000 0.989 1049 E CA 1.796 58.209 56.400 0.022 0.000 0.800 1049 E CB -1.362 28.349 29.700 0.017 0.000 0.746 1049 E HN 0.563 nan 8.360 nan 0.000 0.452 1050 T N 0.268 114.830 114.554 0.013 0.000 2.708 1050 T HA 0.035 4.385 4.350 0.000 0.000 0.266 1050 T C 2.396 177.097 174.700 0.002 0.000 1.037 1050 T CA 1.797 63.899 62.100 0.004 0.000 1.146 1050 T CB -0.478 68.389 68.868 -0.001 0.000 0.865 1050 T HN 0.612 nan 8.240 nan 0.000 0.435 1051 A N 1.637 124.460 122.820 0.005 0.000 1.902 1051 A HA -0.029 4.291 4.320 0.000 0.000 0.217 1051 A C 2.575 180.174 177.584 0.025 0.000 1.181 1051 A CA 2.473 54.510 52.037 0.000 0.000 0.623 1051 A CB -1.125 17.881 19.000 0.010 0.000 0.818 1051 A HN 0.559 nan 8.150 nan 0.000 0.443 1052 K N 0.050 120.471 120.400 0.037 0.000 2.026 1052 K HA -0.116 4.204 4.320 0.000 0.000 0.208 1052 K C 2.236 178.858 176.600 0.038 0.000 1.048 1052 K CA 1.706 58.022 56.287 0.048 0.000 0.929 1052 K CB -0.730 31.796 32.500 0.043 0.000 0.713 1052 K HN 0.580 nan 8.250 nan 0.000 0.439 1053 R N -0.267 120.247 120.500 0.023 0.000 2.081 1053 R HA -0.082 4.258 4.340 0.000 0.000 0.235 1053 R C 2.685 178.993 176.300 0.012 0.000 1.131 1053 R CA 1.624 57.734 56.100 0.015 0.000 0.960 1053 R CB -0.869 29.435 30.300 0.008 0.000 0.856 1053 R HN 0.509 nan 8.270 nan 0.000 0.436 1054 G N 0.650 109.456 108.800 0.010 0.000 2.442 1054 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 1054 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 1054 G C 1.433 176.351 174.900 0.030 0.000 1.141 1054 G CA 0.639 45.744 45.100 0.007 0.000 0.763 1054 G HN 0.337 nan 8.290 nan 0.000 0.554 1055 R N -0.026 120.506 120.500 0.052 0.000 2.070 1055 R HA 0.017 4.357 4.340 0.000 0.000 0.233 1055 R C 2.832 179.155 176.300 0.038 0.000 1.137 1055 R CA 1.197 57.348 56.100 0.086 0.000 0.945 1055 R CB -0.357 30.020 30.300 0.129 0.000 0.845 1055 R HN 0.254 nan 8.270 nan 0.000 0.430 1056 R N 0.984 121.500 120.500 0.025 0.000 2.094 1056 R HA -0.181 4.159 4.340 0.000 0.000 0.239 1056 R C 2.226 178.515 176.300 -0.018 0.000 1.137 1056 R CA 1.836 57.937 56.100 0.002 0.000 0.943 1056 R CB -0.336 29.971 30.300 0.011 0.000 0.850 1056 R HN 0.443 nan 8.270 nan 0.000 0.433 1057 E N 0.419 120.612 120.200 -0.011 0.000 2.077 1057 E HA -0.170 4.180 4.350 0.000 0.000 0.193 1057 E C 2.068 178.647 176.600 -0.035 0.000 0.989 1057 E CA 1.150 57.536 56.400 -0.022 0.000 0.800 1057 E CB -0.133 29.555 29.700 -0.020 0.000 0.746 1057 E HN 0.374 nan 8.360 nan 0.000 0.452 1058 A N 1.363 124.170 122.820 -0.021 0.000 1.898 1058 A HA -0.142 4.178 4.320 0.000 0.000 0.216 1058 A C 2.195 179.741 177.584 -0.064 0.000 1.181 1058 A CA 0.914 52.939 52.037 -0.020 0.000 0.620 1058 A CB -0.528 18.514 19.000 0.071 0.000 0.819 1058 A HN 0.109 nan 8.150 nan 0.000 0.442 1059 I N 0.059 120.565 120.570 -0.107 0.000 2.142 1059 I HA -0.259 3.911 4.170 0.000 0.000 0.240 1059 I C 1.844 177.873 176.117 -0.147 0.000 1.078 1059 I CA 1.635 62.783 61.300 -0.254 0.000 1.343 1059 I CB -0.506 37.258 38.000 -0.393 0.000 1.046 1059 I HN 0.262 nan 8.210 nan 0.000 0.405 1060 D N 0.795 121.142 120.400 -0.088 0.000 2.182 1060 D HA -0.156 4.484 4.640 0.000 0.000 0.201 1060 D C 2.191 178.463 176.300 -0.046 0.000 0.986 1060 D CA 1.383 55.354 54.000 -0.048 0.000 0.847 1060 D CB -0.100 40.681 40.800 -0.031 0.000 0.942 1060 D HN 0.405 nan 8.370 nan 0.000 0.467 1061 I N 1.055 121.587 120.570 -0.064 0.000 2.235 1061 I HA -0.148 4.021 4.170 0.000 0.000 0.241 1061 I C 2.530 178.596 176.117 -0.085 0.000 1.085 1061 I CA 0.546 61.803 61.300 -0.071 0.000 1.378 1061 I CB -0.246 37.701 38.000 -0.089 0.000 1.076 1061 I HN -0.027 nan 8.210 nan 0.000 0.415 1062 I N -0.599 119.901 120.570 -0.116 0.000 2.614 1062 I HA -0.168 4.002 4.170 0.000 0.000 0.258 1062 I C 2.141 178.245 176.117 -0.022 0.000 1.189 1062 I CA 1.673 62.898 61.300 -0.126 0.000 1.462 1062 I CB -0.855 37.033 38.000 -0.187 0.000 1.092 1062 I HN 0.224 nan 8.210 nan 0.000 0.442 1063 T N -2.416 112.137 114.554 -0.002 0.000 3.107 1063 T HA 0.469 4.819 4.350 0.000 0.000 0.249 1063 T C 1.556 176.270 174.700 0.023 0.000 1.096 1063 T CA 0.300 62.424 62.100 0.040 0.000 1.012 1063 T CB 0.271 69.179 68.868 0.066 0.000 0.977 1063 T HN 0.697 nan 8.240 nan 0.000 0.527 1064 G N 1.981 110.782 108.800 0.001 0.000 2.205 1064 G HA2 -0.317 3.643 3.960 0.000 0.000 0.261 1064 G HA3 -0.317 3.643 3.960 0.000 0.000 0.261 1064 G C 1.085 175.986 174.900 0.001 0.000 0.980 1064 G CA 0.367 45.467 45.100 0.001 0.000 0.632 1064 G HN 0.464 nan 8.290 nan 0.000 0.533 1065 K N 0.538 120.940 120.400 0.002 0.000 2.280 1065 K HA -0.031 4.289 4.320 0.000 0.000 0.202 1065 K C 0.585 177.182 176.600 -0.005 0.000 1.047 1065 K CA 1.110 57.398 56.287 0.002 0.000 0.942 1065 K CB 0.050 32.553 32.500 0.005 0.000 0.739 1065 K HN 0.640 nan 8.250 nan 0.000 0.457 1066 D N 0.599 120.991 120.400 -0.013 0.000 2.646 1066 D HA 0.021 4.661 4.640 0.000 0.000 0.245 1066 D C -0.519 175.770 176.300 -0.019 0.000 1.099 1066 D CA -0.279 53.711 54.000 -0.017 0.000 0.849 1066 D CB 1.734 42.520 40.800 -0.024 0.000 1.448 1066 D HN -0.057 nan 8.370 nan 0.000 0.489 1067 D N 2.150 122.540 120.400 -0.016 0.000 2.340 1067 D HA 0.039 4.679 4.640 0.000 0.000 0.217 1067 D C 0.447 176.735 176.300 -0.020 0.000 1.081 1067 D CA -0.106 53.885 54.000 -0.016 0.000 0.842 1067 D CB 0.246 41.040 40.800 -0.009 0.000 0.934 1067 D HN 0.154 nan 8.370 nan 0.000 0.511 1068 R N -0.113 120.371 120.500 -0.026 0.000 2.649 1068 R HA 0.521 4.861 4.340 0.000 0.000 0.270 1068 R C -0.303 175.971 176.300 -0.042 0.000 1.105 1068 R CA -0.733 55.348 56.100 -0.031 0.000 1.193 1068 R CB 1.212 31.492 30.300 -0.034 0.000 1.120 1068 R HN -0.089 nan 8.270 nan 0.000 0.561 1069 V N 2.151 122.037 119.914 -0.047 0.000 2.532 1069 V HA 0.171 4.291 4.120 0.000 0.000 0.295 1069 V C -0.444 175.598 176.094 -0.087 0.000 1.041 1069 V CA -0.788 61.475 62.300 -0.062 0.000 0.926 1069 V CB 1.634 33.427 31.823 -0.049 0.000 0.992 1069 V HN 0.397 nan 8.190 nan 0.000 0.457 1070 L N 6.696 127.849 121.223 -0.117 0.000 2.281 1070 L HA 0.517 4.857 4.340 0.000 0.000 0.285 1070 L C -0.389 176.374 176.870 -0.177 0.000 1.074 1070 L CA 0.431 55.183 54.840 -0.147 0.000 0.817 1070 L CB 1.159 43.109 42.059 -0.181 0.000 1.168 1070 L HN 0.436 nan 8.230 nan 0.000 0.434 1071 V N 6.730 126.539 119.914 -0.174 0.000 2.378 1071 V HA 0.421 4.541 4.120 0.000 0.000 0.288 1071 V C -0.119 175.843 176.094 -0.221 0.000 1.016 1071 V CA -0.660 61.521 62.300 -0.199 0.000 0.840 1071 V CB 1.464 33.192 31.823 -0.159 0.000 0.994 1071 V HN 0.482 nan 8.190 nan 0.000 0.431 1072 I N 6.274 126.678 120.570 -0.277 0.000 2.307 1072 I HA 0.420 4.590 4.170 0.000 0.000 0.287 1072 I C -0.132 175.870 176.117 -0.193 0.000 1.054 1072 I CA -0.281 60.850 61.300 -0.282 0.000 1.218 1072 I CB 0.996 38.748 38.000 -0.414 0.000 1.398 1072 I HN 0.312 nan 8.210 nan 0.000 0.475 1073 V N 4.385 124.234 119.914 -0.107 0.000 2.604 1073 V HA 1.042 5.162 4.120 0.000 0.000 0.305 1073 V C 0.405 176.527 176.094 0.047 0.000 1.043 1073 V CA -0.500 61.778 62.300 -0.036 0.000 0.888 1073 V CB 1.578 33.419 31.823 0.030 0.000 0.995 1073 V HN 0.976 nan 8.190 nan 0.000 0.429 1074 G N 4.165 112.960 108.800 -0.009 0.000 2.324 1074 G HA2 0.436 4.396 3.960 0.000 0.000 0.293 1074 G HA3 0.436 4.396 3.960 0.000 0.000 0.293 1074 G C -3.613 171.135 174.900 -0.253 0.000 1.297 1074 G CA -0.840 44.180 45.100 -0.133 0.000 0.853 1074 G HN 0.518 nan 8.290 nan 0.000 0.535 1075 P HA 0.218 nan 4.420 nan 0.000 0.269 1075 P C 1.236 178.454 177.300 -0.136 0.000 1.215 1075 P CA -0.172 62.786 63.100 -0.238 0.000 0.780 1075 P CB 1.098 32.660 31.700 -0.229 0.000 0.898 1076 C N 1.777 121.029 119.300 -0.080 0.000 2.413 1076 C HA -0.047 4.413 4.460 0.000 0.000 0.276 1076 C C 0.928 175.969 174.990 0.084 0.000 1.248 1076 C CA 1.818 60.828 59.018 -0.012 0.000 1.742 1076 C CB -1.442 26.322 27.740 0.040 0.000 2.017 1076 C HN 0.753 nan 8.230 nan 0.000 0.481 1077 S N -0.440 115.339 115.700 0.132 0.000 2.547 1077 S HA 0.652 5.122 4.470 0.000 0.000 0.270 1077 S C -1.276 173.476 174.600 0.253 0.000 1.150 1077 S CA -0.794 57.559 58.200 0.256 0.000 0.850 1077 S CB 1.004 64.432 63.200 0.380 0.000 1.118 1077 S HN 0.175 nan 8.310 nan 0.000 0.461 1078 I N 4.144 124.884 120.570 0.282 0.000 2.312 1078 I HA 0.354 4.524 4.170 0.000 0.000 0.290 1078 I C 1.008 177.309 176.117 0.306 0.000 1.008 1078 I CA -0.376 61.039 61.300 0.192 0.000 1.226 1078 I CB 0.622 38.707 38.000 0.142 0.000 1.371 1078 I HN 1.076 nan 8.210 nan 0.000 0.468 1079 H N 2.591 121.696 119.070 0.058 0.000 3.058 1079 H HA 0.304 4.860 4.556 0.000 0.000 0.266 1079 H C -0.732 174.555 175.328 -0.068 0.000 1.135 1079 H CA -0.250 55.767 56.048 -0.051 0.000 1.174 1079 H CB 1.298 30.725 29.762 -0.558 0.000 1.581 1079 H HN 0.475 nan 8.280 nan 0.000 0.553 1080 D N 1.249 121.314 120.400 -0.557 0.000 2.575 1080 D HA 0.178 4.818 4.640 0.000 0.000 0.250 1080 D C 0.952 177.134 176.300 -0.197 0.000 1.279 1080 D CA -0.510 53.253 54.000 -0.396 0.000 0.925 1080 D CB 1.526 41.963 40.800 -0.605 0.000 1.261 1080 D HN 0.097 nan 8.370 nan 0.000 0.567 1081 L N 2.410 123.587 121.223 -0.077 0.000 2.093 1081 L HA -0.130 4.210 4.340 0.000 0.000 0.208 1081 L C 1.722 178.586 176.870 -0.011 0.000 1.085 1081 L CA 0.986 55.814 54.840 -0.020 0.000 0.755 1081 L CB -0.073 41.993 42.059 0.012 0.000 0.904 1081 L HN 0.366 nan 8.230 nan 0.000 0.435 1082 E N 0.685 120.885 120.200 -0.000 0.000 2.031 1082 E HA -0.177 4.173 4.350 0.000 0.000 0.193 1082 E C 2.295 178.934 176.600 0.064 0.000 0.994 1082 E CA 1.475 57.903 56.400 0.047 0.000 0.800 1082 E CB -0.435 29.316 29.700 0.085 0.000 0.752 1082 E HN 0.409 nan 8.360 nan 0.000 0.447 1083 A N 0.880 123.700 122.820 0.000 0.000 1.972 1083 A HA -0.091 4.229 4.320 0.000 0.000 0.219 1083 A C 2.330 179.853 177.584 -0.102 0.000 1.169 1083 A CA 1.883 53.826 52.037 -0.157 0.000 0.635 1083 A CB -0.774 17.888 19.000 -0.563 0.000 0.810 1083 A HN 0.273 nan 8.150 nan 0.000 0.446 1084 A N -1.178 121.591 122.820 -0.084 0.000 1.930 1084 A HA -0.136 4.184 4.320 0.000 0.000 0.217 1084 A C 2.133 179.747 177.584 0.050 0.000 1.175 1084 A CA 1.946 53.969 52.037 -0.024 0.000 0.627 1084 A CB -0.429 18.560 19.000 -0.018 0.000 0.815 1084 A HN 0.492 nan 8.150 nan 0.000 0.443 1085 Q N 0.019 119.837 119.800 0.031 0.000 2.079 1085 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 1085 Q C 1.935 177.939 176.000 0.007 0.000 0.974 1085 Q CA 2.125 57.944 55.803 0.027 0.000 0.840 1085 Q CB -0.305 28.446 28.738 0.022 0.000 0.898 1085 Q HN 0.790 nan 8.270 nan 0.000 0.430 1086 E N -1.453 118.758 120.200 0.019 0.000 2.077 1086 E HA -0.238 4.112 4.350 0.000 0.000 0.193 1086 E C 1.803 178.341 176.600 -0.103 0.000 0.989 1086 E CA 1.083 57.471 56.400 -0.021 0.000 0.800 1086 E CB -0.354 29.378 29.700 0.054 0.000 0.746 1086 E HN 0.538 nan 8.360 nan 0.000 0.452 1087 Y N 0.767 120.960 120.300 -0.178 0.000 2.145 1087 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 1087 Y C 2.136 177.897 175.900 -0.232 0.000 1.145 1087 Y CA 1.957 59.908 58.100 -0.249 0.000 1.148 1087 Y CB -0.564 37.808 38.460 -0.146 0.000 0.981 1087 Y HN 0.166 nan 8.280 nan 0.000 0.507 1088 A N 0.204 123.035 122.820 0.020 0.000 1.892 1088 A HA -0.210 4.110 4.320 0.000 0.000 0.218 1088 A C 2.079 179.572 177.584 -0.152 0.000 1.188 1088 A CA 1.940 53.960 52.037 -0.028 0.000 0.631 1088 A CB -1.143 17.877 19.000 0.034 0.000 0.822 1088 A HN 0.471 nan 8.150 nan 0.000 0.447 1089 L N -0.260 120.870 121.223 -0.156 0.000 2.079 1089 L HA -0.140 4.200 4.340 0.000 0.000 0.210 1089 L C 2.615 179.336 176.870 -0.249 0.000 1.081 1089 L CA 1.770 56.514 54.840 -0.160 0.000 0.752 1089 L CB -1.156 40.826 42.059 -0.129 0.000 0.896 1089 L HN 0.411 nan 8.230 nan 0.000 0.433 1090 R N -1.324 118.896 120.500 -0.466 0.000 2.073 1090 R HA -0.134 4.206 4.340 0.000 0.000 0.229 1090 R C 2.115 178.166 176.300 -0.415 0.000 1.120 1090 R CA 0.866 56.565 56.100 -0.669 0.000 0.967 1090 R CB -0.529 28.825 30.300 -1.575 0.000 0.862 1090 R HN 0.178 nan 8.270 nan 0.000 0.436 1091 L N 1.648 122.608 121.223 -0.438 0.000 2.141 1091 L HA -0.153 4.187 4.340 0.000 0.000 0.209 1091 L C 2.226 179.093 176.870 -0.006 0.000 1.094 1091 L CA 1.738 56.558 54.840 -0.034 0.000 0.763 1091 L CB -0.363 41.624 42.059 -0.121 0.000 0.908 1091 L HN -0.076 nan 8.230 nan 0.000 0.437 1092 K N 0.424 120.784 120.400 -0.066 0.000 2.002 1092 K HA -0.257 4.063 4.320 0.000 0.000 0.209 1092 K C 2.232 178.823 176.600 -0.015 0.000 1.048 1092 K CA 2.198 58.464 56.287 -0.035 0.000 0.930 1092 K CB -0.419 32.053 32.500 -0.047 0.000 0.714 1092 K HN 0.261 nan 8.250 nan 0.000 0.438 1093 K N 0.201 120.588 120.400 -0.023 0.000 2.032 1093 K HA -0.130 4.190 4.320 0.000 0.000 0.209 1093 K C 2.169 178.790 176.600 0.036 0.000 1.048 1093 K CA 1.768 58.056 56.287 0.001 0.000 0.927 1093 K CB -0.418 32.079 32.500 -0.006 0.000 0.712 1093 K HN 0.281 nan 8.250 nan 0.000 0.441 1094 L N 0.303 121.578 121.223 0.086 0.000 2.201 1094 L HA -0.108 4.232 4.340 0.000 0.000 0.212 1094 L C 1.866 178.758 176.870 0.036 0.000 1.105 1094 L CA 1.122 56.016 54.840 0.091 0.000 0.775 1094 L CB -0.157 42.007 42.059 0.174 0.000 0.913 1094 L HN 0.202 nan 8.230 nan 0.000 0.440 1095 S N -0.148 115.569 115.700 0.028 0.000 2.355 1095 S HA -0.178 4.292 4.470 0.000 0.000 0.222 1095 S C 1.453 176.052 174.600 -0.002 0.000 1.031 1095 S CA 1.414 59.617 58.200 0.004 0.000 0.993 1095 S CB -0.297 62.902 63.200 -0.002 0.000 0.859 1095 S HN 0.530 nan 8.310 nan 0.000 0.453 1096 D N 1.027 121.428 120.400 0.001 0.000 2.178 1096 D HA -0.112 4.528 4.640 0.000 0.000 0.201 1096 D C 1.907 178.206 176.300 -0.002 0.000 0.980 1096 D CA 0.801 54.800 54.000 -0.002 0.000 0.842 1096 D CB -0.273 40.526 40.800 -0.002 0.000 0.948 1096 D HN 0.558 nan 8.370 nan 0.000 0.472 1097 E N 0.021 120.223 120.200 0.003 0.000 2.150 1097 E HA -0.087 4.263 4.350 0.000 0.000 0.193 1097 E C 1.246 177.842 176.600 -0.007 0.000 0.985 1097 E CA 0.576 56.976 56.400 0.000 0.000 0.814 1097 E CB 0.127 29.830 29.700 0.006 0.000 0.752 1097 E HN 0.254 nan 8.360 nan 0.000 0.466 1098 L N 0.258 121.474 121.223 -0.011 0.000 2.910 1098 L HA 0.221 4.561 4.340 0.000 0.000 0.252 1098 L C 1.666 178.524 176.870 -0.019 0.000 1.195 1098 L CA -0.262 54.567 54.840 -0.018 0.000 1.003 1098 L CB 0.270 42.312 42.059 -0.027 0.000 1.328 1098 L HN -0.077 nan 8.230 nan 0.000 0.540 1099 K N 1.163 121.554 120.400 -0.016 0.000 2.160 1099 K HA -0.147 4.173 4.320 0.000 0.000 0.206 1099 K C 2.087 178.676 176.600 -0.017 0.000 1.047 1099 K CA 1.555 57.832 56.287 -0.017 0.000 0.930 1099 K CB -0.218 32.274 32.500 -0.013 0.000 0.720 1099 K HN 0.482 nan 8.250 nan 0.000 0.450 1100 G N 1.286 110.077 108.800 -0.015 0.000 2.448 1100 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 1100 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 1100 G C 0.927 175.817 174.900 -0.017 0.000 1.127 1100 G CA 0.982 46.073 45.100 -0.014 0.000 0.766 1100 G HN 0.288 nan 8.290 nan 0.000 0.552 1101 D N -0.934 119.454 120.400 -0.020 0.000 2.473 1101 D HA 0.210 4.850 4.640 0.000 0.000 0.230 1101 D C 0.664 176.946 176.300 -0.030 0.000 1.097 1101 D CA 0.121 54.108 54.000 -0.022 0.000 0.861 1101 D CB 1.057 41.845 40.800 -0.021 0.000 1.114 1101 D HN 0.231 nan 8.370 nan 0.000 0.500 1102 L N 0.058 121.261 121.223 -0.034 0.000 2.409 1102 L HA 0.409 4.749 4.340 0.000 0.000 0.262 1102 L C -0.439 176.404 176.870 -0.045 0.000 0.992 1102 L CA -0.737 54.076 54.840 -0.045 0.000 0.817 1102 L CB 2.737 44.766 42.059 -0.051 0.000 1.350 1102 L HN -0.276 nan 8.230 nan 0.000 0.411 1103 S N 2.521 118.186 115.700 -0.057 0.000 2.601 1103 S HA 0.613 5.083 4.470 0.000 0.000 0.312 1103 S C -0.622 173.935 174.600 -0.070 0.000 1.107 1103 S CA -0.445 57.721 58.200 -0.055 0.000 1.129 1103 S CB 0.080 63.246 63.200 -0.057 0.000 0.982 1103 S HN 0.415 nan 8.310 nan 0.000 0.469 1104 I N 5.740 126.275 120.570 -0.058 0.000 2.353 1104 I HA 0.454 4.624 4.170 0.000 0.000 0.293 1104 I C -0.307 175.775 176.117 -0.057 0.000 0.992 1104 I CA -0.492 60.771 61.300 -0.062 0.000 1.268 1104 I CB 1.322 39.299 38.000 -0.038 0.000 1.387 1104 I HN 0.490 nan 8.210 nan 0.000 0.478 1105 I N 6.553 127.075 120.570 -0.081 0.000 2.436 1105 I HA 0.336 4.506 4.170 0.000 0.000 0.289 1105 I C -0.096 175.991 176.117 -0.050 0.000 1.010 1105 I CA -0.622 60.634 61.300 -0.072 0.000 1.098 1105 I CB 1.961 39.896 38.000 -0.108 0.000 1.266 1105 I HN 0.577 nan 8.210 nan 0.000 0.434 1106 M N 5.823 125.417 119.600 -0.011 0.000 2.228 1106 M HA 0.235 4.715 4.480 0.000 0.000 0.351 1106 M C 0.176 176.487 176.300 0.019 0.000 1.233 1106 M CA -0.051 55.273 55.300 0.040 0.000 1.129 1106 M CB 0.550 33.197 32.600 0.078 0.000 1.604 1106 M HN 0.494 nan 8.290 nan 0.000 0.457 1107 R N 3.577 124.087 120.500 0.017 0.000 2.288 1107 R HA 0.334 4.674 4.340 0.000 0.000 0.330 1107 R C -0.827 175.520 176.300 0.079 0.000 1.069 1107 R CA 0.066 56.171 56.100 0.009 0.000 0.941 1107 R CB 0.345 30.547 30.300 -0.163 0.000 0.998 1107 R HN 0.767 nan 8.270 nan 0.000 0.452 1108 A N 5.644 128.589 122.820 0.209 0.000 3.218 1108 A HA 0.228 4.548 4.320 0.000 0.000 0.321 1108 A C -1.271 176.574 177.584 0.434 0.000 1.012 1108 A CA -0.519 51.644 52.037 0.210 0.000 0.948 1108 A CB 0.258 19.223 19.000 -0.058 0.000 1.050 1108 A HN 0.577 nan 8.150 nan 0.000 0.492 1109 Y N 0.548 120.930 120.300 0.137 0.000 2.319 1109 Y HA 0.280 4.830 4.550 -0.000 0.000 0.328 1109 Y C 1.098 177.093 175.900 0.158 0.000 1.133 1109 Y CA -0.925 57.266 58.100 0.151 0.000 1.265 1109 Y CB 0.964 39.495 38.460 0.119 0.000 1.218 1109 Y HN 0.342 nan 8.280 nan 0.000 0.508 1110 L N 1.415 122.765 121.223 0.213 0.000 2.375 1110 L HA 0.097 4.437 4.340 0.000 0.000 0.215 1110 L C 0.649 177.516 176.870 -0.003 0.000 1.108 1110 L CA 0.850 55.755 54.840 0.109 0.000 0.830 1110 L CB -0.958 41.105 42.059 0.008 0.000 0.959 1110 L HN 0.790 nan 8.230 nan 0.000 0.457 1111 E N -1.223 118.984 120.200 0.012 0.000 2.416 1111 E HA 0.329 4.679 4.350 0.000 0.000 0.280 1111 E C -1.076 175.547 176.600 0.038 0.000 1.055 1111 E CA -0.886 55.459 56.400 -0.092 0.000 0.825 1111 E CB 1.673 31.229 29.700 -0.239 0.000 1.312 1111 E HN -0.200 nan 8.360 nan 0.000 0.452 1112 K N 2.512 122.929 120.400 0.029 0.000 2.404 1112 K HA 0.410 4.730 4.320 0.000 0.000 0.257 1112 K C -2.447 174.168 176.600 0.025 0.000 1.026 1112 K CA -1.814 54.520 56.287 0.080 0.000 0.951 1112 K CB 0.683 33.262 32.500 0.131 0.000 1.203 1112 K HN 0.404 nan 8.250 nan 0.000 0.446 1118 G N -1.085 107.744 108.800 0.048 0.000 2.354 1118 G HA2 0.292 4.252 3.960 0.000 0.000 0.582 1118 G HA3 0.292 4.252 3.960 0.000 0.000 0.582 1118 G C -1.331 173.633 174.900 0.107 0.000 1.316 1118 G CA -0.213 44.935 45.100 0.079 0.000 0.995 1118 G HN 2.274 nan 8.290 nan 0.000 0.573 1119 W N 1.520 122.788 121.300 -0.054 0.000 2.534 1119 W HA 0.414 5.074 4.660 -0.000 0.000 0.340 1119 W C 1.342 177.827 176.519 -0.057 0.000 1.352 1119 W CA 1.227 58.528 57.345 -0.073 0.000 1.305 1119 W CB -0.039 29.377 29.460 -0.073 0.000 1.299 1119 W HN 1.273 nan 8.180 nan 0.000 0.572 1120 K N 5.603 125.709 120.400 -0.489 0.000 2.551 1120 K HA 0.434 4.754 4.320 0.000 0.000 0.192 1120 K C 0.967 177.061 176.600 -0.843 0.000 1.027 1120 K CA 0.862 56.841 56.287 -0.514 0.000 1.059 1120 K CB -0.706 31.603 32.500 -0.319 0.000 0.831 1120 K HN 1.606 nan 8.250 nan 0.000 0.508 1121 G N -1.057 106.615 108.800 -1.880 0.000 2.663 1121 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 1121 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 1121 G C 0.280 174.546 174.900 -1.057 0.000 1.288 1121 G CA -0.121 43.893 45.100 -1.809 0.000 0.836 1121 G HN 0.810 nan 8.290 nan 0.000 0.584 1122 L N 0.338 121.324 121.223 -0.396 0.000 2.131 1122 L HA 0.178 4.518 4.340 0.000 0.000 0.210 1122 L C 2.685 179.541 176.870 -0.024 0.000 1.092 1122 L CA 2.345 57.242 54.840 0.096 0.000 0.759 1122 L CB -0.432 41.734 42.059 0.178 0.000 0.903 1122 L HN 0.639 nan 8.230 nan 0.000 0.435 1123 I N -0.890 119.607 120.570 -0.122 0.000 2.277 1123 I HA -0.210 3.960 4.170 0.000 0.000 0.243 1123 I C 1.778 177.846 176.117 -0.081 0.000 1.094 1123 I CA 1.059 62.292 61.300 -0.111 0.000 1.393 1123 I CB -0.252 37.669 38.000 -0.132 0.000 1.078 1123 I HN 0.292 nan 8.210 nan 0.000 0.417 1124 N N -0.039 118.594 118.700 -0.112 0.000 2.300 1124 N HA -0.105 4.635 4.740 0.000 0.000 0.179 1124 N C 0.287 175.728 175.510 -0.115 0.000 1.016 1124 N CA 0.936 53.965 53.050 -0.035 0.000 0.876 1124 N CB 0.152 38.635 38.487 -0.007 0.000 0.979 1124 N HN 0.131 nan 8.380 nan 0.000 0.432 1125 D N -0.884 119.427 120.400 -0.149 0.000 2.735 1125 D HA 0.159 4.799 4.640 0.000 0.000 0.291 1125 D C -2.085 174.352 176.300 0.229 0.000 1.205 1125 D CA -1.873 52.111 54.000 -0.027 0.000 0.777 1125 D CB 0.833 41.584 40.800 -0.081 0.000 1.234 1125 D HN 0.003 nan 8.370 nan 0.000 0.520 1126 P HA -0.099 nan 4.420 nan 0.000 0.218 1126 P C 0.527 177.925 177.300 0.164 0.000 1.148 1126 P CA 0.918 64.124 63.100 0.178 0.000 0.822 1126 P CB 0.573 32.322 31.700 0.081 0.000 0.784 1127 D N -0.553 119.916 120.400 0.115 0.000 2.355 1127 D HA 0.032 4.672 4.640 0.000 0.000 0.218 1127 D C 0.513 176.843 176.300 0.050 0.000 1.004 1127 D CA 0.184 54.223 54.000 0.065 0.000 0.880 1127 D CB -0.040 40.783 40.800 0.038 0.000 0.911 1127 D HN -0.089 nan 8.370 nan 0.000 0.528 1128 V N 2.080 122.069 119.914 0.125 0.000 6.016 1128 V HA -0.283 3.837 4.120 0.000 0.000 0.265 1128 V C 0.570 176.656 176.094 -0.014 0.000 0.621 1128 V CA 1.287 63.595 62.300 0.014 0.000 0.592 1128 V CB -2.480 29.160 31.823 -0.306 0.000 0.298 1128 V HN 0.590 nan 8.190 nan 0.000 0.615 1129 N N -0.975 117.742 118.700 0.028 0.000 2.301 1129 N HA 0.172 4.912 4.740 0.000 0.000 0.247 1129 N C 0.572 176.077 175.510 -0.008 0.000 1.347 1129 N CA -0.108 52.942 53.050 -0.001 0.000 0.844 1129 N CB 0.570 39.057 38.487 -0.001 0.000 1.332 1129 N HN 0.359 nan 8.380 nan 0.000 0.494 1130 N N 0.507 119.198 118.700 -0.015 0.000 2.909 1130 N HA -0.145 4.595 4.740 0.000 0.000 0.242 1130 N C -0.282 175.145 175.510 -0.139 0.000 0.975 1130 N CA 1.842 54.846 53.050 -0.076 0.000 0.921 1130 N CB -1.506 36.964 38.487 -0.029 0.000 1.112 1130 N HN 0.794 nan 8.380 nan 0.000 0.581 1131 T N -2.833 111.654 114.554 -0.112 0.000 2.862 1131 T HA 0.688 5.038 4.350 0.000 0.000 0.276 1131 T C 0.057 174.639 174.700 -0.196 0.000 0.974 1131 T CA -0.508 61.553 62.100 -0.066 0.000 0.966 1131 T CB 1.178 70.053 68.868 0.012 0.000 1.072 1131 T HN 0.051 nan 8.240 nan 0.000 0.538 1132 F N 1.372 121.329 119.950 0.011 0.000 2.449 1132 F HA 0.524 5.051 4.527 -0.000 0.000 0.342 1132 F C 0.596 176.393 175.800 -0.005 0.000 1.127 1132 F CA -0.828 57.169 58.000 -0.004 0.000 0.975 1132 F CB 1.714 40.705 39.000 -0.015 0.000 1.146 1132 F HN 0.567 nan 8.300 nan 0.000 0.444 1133 N N 4.765 123.558 118.700 0.154 0.000 2.697 1133 N HA 0.229 4.969 4.740 0.000 0.000 0.253 1133 N C 0.740 176.279 175.510 0.048 0.000 1.604 1133 N CA 0.076 53.177 53.050 0.085 0.000 0.772 1133 N CB 0.245 38.762 38.487 0.051 0.000 1.267 1133 N HN 0.613 nan 8.380 nan 0.000 0.510 1134 I N 0.071 120.675 120.570 0.056 0.000 2.248 1134 I HA -0.292 3.878 4.170 0.000 0.000 0.248 1134 I C 1.865 177.940 176.117 -0.070 0.000 1.107 1134 I CA 0.849 62.144 61.300 -0.008 0.000 1.373 1134 I CB 0.005 38.000 38.000 -0.009 0.000 1.055 1134 I HN 0.338 nan 8.210 nan 0.000 0.418 1135 N N 0.931 119.603 118.700 -0.046 0.000 2.120 1135 N HA -0.210 4.530 4.740 0.000 0.000 0.188 1135 N C 1.857 177.331 175.510 -0.060 0.000 1.024 1135 N CA 1.265 54.276 53.050 -0.064 0.000 0.852 1135 N CB -0.211 38.262 38.487 -0.023 0.000 1.003 1135 N HN 0.409 nan 8.380 nan 0.000 0.424 1136 K N 0.624 121.007 120.400 -0.029 0.000 2.155 1136 K HA -0.031 4.289 4.320 0.000 0.000 0.203 1136 K C 1.971 178.550 176.600 -0.034 0.000 1.052 1136 K CA 1.015 57.291 56.287 -0.020 0.000 0.948 1136 K CB -0.162 32.340 32.500 0.003 0.000 0.728 1136 K HN 0.094 nan 8.250 nan 0.000 0.448 1137 G N 1.430 110.203 108.800 -0.044 0.000 2.421 1137 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 1137 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 1137 G C 1.452 176.282 174.900 -0.116 0.000 1.171 1137 G CA 0.552 45.617 45.100 -0.058 0.000 0.775 1137 G HN 0.197 nan 8.290 nan 0.000 0.543 1138 L N -0.114 121.002 121.223 -0.178 0.000 2.131 1138 L HA -0.121 4.219 4.340 0.000 0.000 0.210 1138 L C 3.125 179.889 176.870 -0.177 0.000 1.092 1138 L CA 1.047 55.728 54.840 -0.265 0.000 0.759 1138 L CB -0.369 41.405 42.059 -0.475 0.000 0.903 1138 L HN 0.298 nan 8.230 nan 0.000 0.435 1139 Q N -0.756 118.977 119.800 -0.112 0.000 2.079 1139 Q HA -0.147 4.193 4.340 0.000 0.000 0.200 1139 Q C 2.450 178.419 176.000 -0.051 0.000 0.974 1139 Q CA 1.704 57.471 55.803 -0.060 0.000 0.840 1139 Q CB -0.018 28.702 28.738 -0.031 0.000 0.898 1139 Q HN 0.427 nan 8.270 nan 0.000 0.430 1140 S N 0.819 116.490 115.700 -0.048 0.000 2.355 1140 S HA -0.148 4.322 4.470 0.000 0.000 0.222 1140 S C 2.080 176.648 174.600 -0.055 0.000 1.031 1140 S CA 0.994 59.179 58.200 -0.025 0.000 0.993 1140 S CB -0.297 62.904 63.200 0.002 0.000 0.859 1140 S HN 0.492 nan 8.310 nan 0.000 0.453 1141 A N 1.756 124.498 122.820 -0.131 0.000 1.908 1141 A HA -0.142 4.178 4.320 0.000 0.000 0.218 1141 A C 2.104 179.453 177.584 -0.391 0.000 1.181 1141 A CA 1.700 53.567 52.037 -0.285 0.000 0.627 1141 A CB -0.523 18.248 19.000 -0.382 0.000 0.818 1141 A HN 0.431 nan 8.150 nan 0.000 0.445 1142 R N -1.114 119.241 120.500 -0.242 0.000 2.073 1142 R HA -0.150 4.190 4.340 0.000 0.000 0.229 1142 R C 2.396 178.702 176.300 0.010 0.000 1.120 1142 R CA 1.614 57.636 56.100 -0.128 0.000 0.967 1142 R CB -0.232 30.041 30.300 -0.045 0.000 0.862 1142 R HN 0.539 nan 8.270 nan 0.000 0.436 1143 Q N 0.726 120.530 119.800 0.008 0.000 2.084 1143 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 1143 Q C 1.916 177.969 176.000 0.088 0.000 0.978 1143 Q CA 1.564 57.394 55.803 0.045 0.000 0.844 1143 Q CB -0.346 28.409 28.738 0.028 0.000 0.898 1143 Q HN 0.344 nan 8.270 nan 0.000 0.426 1144 L N -0.537 120.747 121.223 0.102 0.000 1.970 1144 L HA -0.139 4.201 4.340 0.000 0.000 0.212 1144 L C 1.879 178.934 176.870 0.308 0.000 1.071 1144 L CA 1.890 56.840 54.840 0.183 0.000 0.751 1144 L CB -0.976 41.211 42.059 0.213 0.000 0.889 1144 L HN 0.238 nan 8.230 nan 0.000 0.432 1145 F N -0.574 119.394 119.950 0.031 0.000 2.120 1145 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 1145 F C 2.551 178.366 175.800 0.026 0.000 1.095 1145 F CA 1.495 59.513 58.000 0.029 0.000 1.249 1145 F CB -1.463 37.555 39.000 0.029 0.000 0.995 1145 F HN -0.035 nan 8.300 nan 0.000 0.480 1146 V N 0.269 120.320 119.914 0.227 0.000 2.307 1146 V HA -0.295 3.825 4.120 0.000 0.000 0.245 1146 V C 2.236 178.384 176.094 0.090 0.000 1.045 1146 V CA 1.914 64.290 62.300 0.128 0.000 1.024 1146 V CB -0.715 31.167 31.823 0.098 0.000 0.651 1146 V HN 0.266 nan 8.190 nan 0.000 0.449 1147 N N 0.395 119.150 118.700 0.091 0.000 2.061 1147 N HA -0.172 4.568 4.740 0.000 0.000 0.193 1147 N C 1.746 177.286 175.510 0.049 0.000 1.030 1147 N CA 1.644 54.731 53.050 0.063 0.000 0.856 1147 N CB -0.550 37.975 38.487 0.063 0.000 1.023 1147 N HN 0.401 nan 8.380 nan 0.000 0.424 1148 L N 0.282 121.539 121.223 0.057 0.000 2.005 1148 L HA -0.116 4.224 4.340 0.000 0.000 0.207 1148 L C 2.508 179.383 176.870 0.008 0.000 1.072 1148 L CA 1.689 56.546 54.840 0.028 0.000 0.744 1148 L CB -1.206 40.863 42.059 0.017 0.000 0.895 1148 L HN 0.326 nan 8.230 nan 0.000 0.433 1149 T N -3.399 111.158 114.554 0.005 0.000 2.915 1149 T HA -0.207 4.143 4.350 0.000 0.000 0.269 1149 T C 1.615 176.321 174.700 0.010 0.000 1.071 1149 T CA 1.296 63.395 62.100 -0.003 0.000 1.132 1149 T CB -0.625 68.241 68.868 -0.003 0.000 0.878 1149 T HN 0.335 nan 8.240 nan 0.000 0.479 1150 N N 1.618 120.330 118.700 0.021 0.000 2.573 1150 N HA -0.036 4.704 4.740 0.000 0.000 0.187 1150 N C 1.534 177.051 175.510 0.011 0.000 1.107 1150 N CA 1.089 54.151 53.050 0.020 0.000 0.918 1150 N CB -0.162 38.341 38.487 0.027 0.000 0.966 1150 N HN 0.818 nan 8.380 nan 0.000 0.448 1151 I N -4.716 115.857 120.570 0.005 0.000 3.976 1151 I HA 0.442 4.612 4.170 0.000 0.000 0.337 1151 I C 0.912 177.025 176.117 -0.006 0.000 1.359 1151 I CA 0.015 61.313 61.300 -0.003 0.000 1.098 1151 I CB 0.438 38.433 38.000 -0.008 0.000 1.027 1151 I HN -0.062 nan 8.210 nan 0.000 0.394 1152 G N 2.057 110.855 108.800 -0.004 0.000 2.131 1152 G HA2 -0.234 3.726 3.960 0.000 0.000 0.223 1152 G HA3 -0.234 3.726 3.960 0.000 0.000 0.223 1152 G C -0.439 174.454 174.900 -0.011 0.000 0.990 1152 G CA 0.137 45.233 45.100 -0.006 0.000 0.671 1152 G HN 0.378 nan 8.290 nan 0.000 0.521 1153 L N 1.570 122.785 121.223 -0.014 0.000 2.294 1153 L HA 0.728 5.068 4.340 0.000 0.000 0.283 1153 L C -2.202 174.650 176.870 -0.030 0.000 1.015 1153 L CA -2.538 52.292 54.840 -0.018 0.000 0.831 1153 L CB 1.300 43.351 42.059 -0.013 0.000 1.217 1153 L HN -0.120 nan 8.230 nan 0.000 0.420 1154 P HA 0.280 nan 4.420 nan 0.000 0.272 1154 P C -0.904 176.351 177.300 -0.077 0.000 1.223 1154 P CA 0.007 63.075 63.100 -0.053 0.000 0.784 1154 P CB 0.608 32.285 31.700 -0.038 0.000 0.923 1155 I N -1.454 119.038 120.570 -0.131 0.000 2.892 1155 I HA 0.913 5.083 4.170 0.000 0.000 0.306 1155 I C -0.296 175.735 176.117 -0.143 0.000 1.078 1155 I CA -1.131 60.064 61.300 -0.175 0.000 1.032 1155 I CB 2.590 40.370 38.000 -0.366 0.000 1.229 1155 I HN 0.319 nan 8.210 nan 0.000 0.435 1156 G N 1.431 110.214 108.800 -0.029 0.000 2.617 1156 G HA2 0.601 4.561 3.960 0.000 0.000 0.306 1156 G HA3 0.601 4.561 3.960 0.000 0.000 0.306 1156 G C -1.625 173.412 174.900 0.229 0.000 1.360 1156 G CA -0.522 44.703 45.100 0.208 0.000 0.983 1156 G HN 0.730 nan 8.290 nan 0.000 0.496 1157 S N 0.062 115.805 115.700 0.072 0.000 2.595 1157 S HA 0.546 5.016 4.470 0.000 0.000 0.281 1157 S C -0.959 173.369 174.600 -0.454 0.000 1.117 1157 S CA -0.683 57.425 58.200 -0.153 0.000 0.873 1157 S CB 1.990 65.219 63.200 0.048 0.000 1.108 1157 S HN 0.688 nan 8.310 nan 0.000 0.477 1158 E N 2.739 122.366 120.200 -0.955 0.000 2.259 1158 E HA 0.247 4.597 4.350 0.000 0.000 0.281 1158 E C -0.511 175.921 176.600 -0.281 0.000 1.027 1158 E CA -0.570 55.443 56.400 -0.644 0.000 0.838 1158 E CB 0.514 29.764 29.700 -0.751 0.000 1.066 1158 E HN 0.526 nan 8.360 nan 0.000 0.401 1159 M N 5.426 124.927 119.600 -0.164 0.000 2.264 1159 M HA 0.074 4.554 4.480 0.000 0.000 0.340 1159 M C 1.093 177.394 176.300 0.001 0.000 1.420 1159 M CA 0.201 55.471 55.300 -0.050 0.000 1.254 1159 M CB -0.148 32.437 32.600 -0.025 0.000 1.575 1159 M HN 0.652 nan 8.290 nan 0.000 0.452 1160 L N 2.822 124.044 121.223 -0.003 0.000 2.095 1160 L HA -0.026 4.314 4.340 0.000 0.000 0.204 1160 L C 1.036 177.992 176.870 0.142 0.000 1.080 1160 L CA 1.886 56.744 54.840 0.030 0.000 0.759 1160 L CB -0.745 41.305 42.059 -0.014 0.000 0.914 1160 L HN 0.764 nan 8.230 nan 0.000 0.439 1161 D N -3.435 117.014 120.400 0.082 0.000 2.801 1161 D HA 0.240 4.880 4.640 0.000 0.000 0.277 1161 D C 0.682 176.913 176.300 -0.115 0.000 1.125 1161 D CA 0.694 54.715 54.000 0.034 0.000 1.102 1161 D CB 0.935 41.746 40.800 0.019 0.000 1.400 1161 D HN 0.117 nan 8.370 nan 0.000 0.601 1162 T N -2.743 111.717 114.554 -0.156 0.000 3.040 1162 T HA 0.257 4.607 4.350 0.000 0.000 0.250 1162 T C 1.754 176.420 174.700 -0.056 0.000 1.058 1162 T CA -0.010 61.987 62.100 -0.172 0.000 0.988 1162 T CB -0.205 68.529 68.868 -0.224 0.000 0.993 1162 T HN 0.388 nan 8.240 nan 0.000 0.519 1163 I N 1.810 122.378 120.570 -0.003 0.000 3.039 1163 I HA 0.021 4.191 4.170 0.000 0.000 0.270 1163 I C 2.807 179.014 176.117 0.150 0.000 1.150 1163 I CA 0.817 62.153 61.300 0.059 0.000 1.448 1163 I CB -0.095 37.958 38.000 0.089 0.000 1.197 1163 I HN 0.320 nan 8.210 nan 0.000 0.450 1164 S N 1.559 117.349 115.700 0.149 0.000 2.400 1164 S HA -0.062 4.408 4.470 0.000 0.000 0.232 1164 S C -0.572 174.147 174.600 0.199 0.000 1.025 1164 S CA 0.821 59.150 58.200 0.215 0.000 0.993 1164 S CB -1.860 61.373 63.200 0.055 0.000 0.808 1164 S HN 0.226 nan 8.310 nan 0.000 0.478 1165 P HA -0.049 nan 4.420 nan 0.000 0.219 1165 P C 1.578 178.932 177.300 0.089 0.000 1.146 1165 P CA 0.976 64.141 63.100 0.109 0.000 0.808 1165 P CB -0.136 31.608 31.700 0.073 0.000 0.779 1166 Q N -1.761 118.050 119.800 0.019 0.000 2.226 1166 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 1166 Q C 1.605 177.501 176.000 -0.174 0.000 0.975 1166 Q CA 1.561 57.289 55.803 -0.125 0.000 0.866 1166 Q CB -0.653 27.918 28.738 -0.278 0.000 0.915 1166 Q HN 0.492 nan 8.270 nan 0.000 0.440 1167 Y N -0.902 119.395 120.300 -0.005 0.000 2.517 1167 Y HA 0.063 4.613 4.550 -0.000 0.000 0.281 1167 Y C 1.897 177.791 175.900 -0.010 0.000 1.125 1167 Y CA 0.457 58.546 58.100 -0.018 0.000 1.283 1167 Y CB 0.428 38.859 38.460 -0.048 0.000 1.042 1167 Y HN -0.025 nan 8.280 nan 0.000 0.547 1168 L N -2.500 118.822 121.223 0.165 0.000 2.766 1168 L HA 0.334 4.674 4.340 0.000 0.000 0.241 1168 L C 2.382 179.409 176.870 0.261 0.000 1.080 1168 L CA 0.528 55.478 54.840 0.183 0.000 0.909 1168 L CB -0.511 41.599 42.059 0.085 0.000 1.277 1168 L HN -0.015 nan 8.230 nan 0.000 0.510 1169 A N 1.941 124.899 122.820 0.229 0.000 1.929 1169 A HA -0.334 3.986 4.320 0.000 0.000 0.221 1169 A C 1.928 179.662 177.584 0.250 0.000 1.211 1169 A CA 2.538 54.752 52.037 0.295 0.000 0.657 1169 A CB -0.855 18.318 19.000 0.289 0.000 0.827 1169 A HN 0.666 nan 8.150 nan 0.000 0.462 1170 D N -0.087 120.420 120.400 0.178 0.000 2.311 1170 D HA -0.144 4.496 4.640 0.000 0.000 0.212 1170 D C 1.374 177.744 176.300 0.117 0.000 0.972 1170 D CA 1.294 55.377 54.000 0.139 0.000 0.887 1170 D CB -0.457 40.402 40.800 0.098 0.000 0.915 1170 D HN 0.544 nan 8.370 nan 0.000 0.497 1171 L N 0.217 121.517 121.223 0.129 0.000 2.693 1171 L HA 0.206 4.546 4.340 0.000 0.000 0.235 1171 L C 0.214 177.052 176.870 -0.054 0.000 1.127 1171 L CA -0.285 54.603 54.840 0.080 0.000 0.914 1171 L CB 1.014 43.180 42.059 0.179 0.000 1.193 1171 L HN -0.193 nan 8.230 nan 0.000 0.502 1172 V N -0.772 119.071 119.914 -0.118 0.000 2.539 1172 V HA 0.221 4.341 4.120 0.000 0.000 0.292 1172 V C 0.865 176.660 176.094 -0.498 0.000 1.045 1172 V CA 0.018 62.078 62.300 -0.400 0.000 0.945 1172 V CB 1.773 33.228 31.823 -0.613 0.000 0.993 1172 V HN 0.097 nan 8.190 nan 0.000 0.464 1173 S N 2.788 118.254 115.700 -0.391 0.000 2.526 1173 S HA 0.354 4.824 4.470 0.000 0.000 0.220 1173 S C -0.300 174.247 174.600 -0.088 0.000 1.017 1173 S CA 0.025 58.118 58.200 -0.179 0.000 0.930 1173 S CB 0.206 63.381 63.200 -0.043 0.000 0.856 1173 S HN 0.650 nan 8.310 nan 0.000 0.497 1174 F N 0.608 120.293 119.950 -0.442 0.000 2.635 1174 F HA 0.650 5.177 4.527 -0.000 0.000 0.314 1174 F C -0.673 175.008 175.800 -0.198 0.000 1.119 1174 F CA -0.536 57.377 58.000 -0.146 0.000 1.000 1174 F CB 0.728 39.738 39.000 0.016 0.000 1.278 1174 F HN -0.042 nan 8.300 nan 0.000 0.446 1175 G N 2.619 110.897 108.800 -0.870 0.000 2.519 1175 G HA2 0.822 4.782 3.960 0.000 0.000 0.307 1175 G HA3 0.822 4.782 3.960 0.000 0.000 0.307 1175 G C -2.086 172.225 174.900 -0.980 0.000 1.266 1175 G CA -0.601 44.136 45.100 -0.604 0.000 0.970 1175 G HN 1.113 nan 8.290 nan 0.000 0.481 1176 A N 1.072 123.555 122.820 -0.562 0.000 2.401 1176 A HA 0.762 5.082 4.320 0.000 0.000 0.310 1176 A C -0.826 176.558 177.584 -0.335 0.000 1.075 1176 A CA -0.606 51.188 52.037 -0.404 0.000 0.746 1176 A CB 1.333 20.323 19.000 -0.018 0.000 1.277 1176 A HN 0.544 nan 8.150 nan 0.000 0.425 1177 I N 2.077 122.403 120.570 -0.405 0.000 2.359 1177 I HA 0.337 4.507 4.170 0.000 0.000 0.294 1177 I C 1.248 177.265 176.117 -0.168 0.000 0.987 1177 I CA -0.168 60.952 61.300 -0.300 0.000 1.225 1177 I CB 0.721 38.452 38.000 -0.448 0.000 1.366 1177 I HN 0.825 nan 8.210 nan 0.000 0.466 1178 G N 3.934 112.650 108.800 -0.140 0.000 2.474 1178 G HA2 0.212 4.173 3.960 0.000 0.000 0.233 1178 G HA3 0.212 4.173 3.960 0.000 0.000 0.233 1178 G C 0.980 175.825 174.900 -0.092 0.000 1.278 1178 G CA 0.254 45.289 45.100 -0.109 0.000 0.861 1178 G HN 0.855 nan 8.290 nan 0.000 0.567 1179 A N 2.296 125.085 122.820 -0.053 0.000 1.972 1179 A HA -0.085 4.235 4.320 0.000 0.000 0.219 1179 A C 2.400 179.957 177.584 -0.044 0.000 1.169 1179 A CA 1.386 53.408 52.037 -0.026 0.000 0.635 1179 A CB -0.217 18.774 19.000 -0.014 0.000 0.810 1179 A HN 0.698 nan 8.150 nan 0.000 0.446 1180 R N -0.515 119.943 120.500 -0.070 0.000 2.285 1180 R HA -0.047 4.293 4.340 0.000 0.000 0.213 1180 R C 1.006 177.235 176.300 -0.118 0.000 1.068 1180 R CA 1.413 57.468 56.100 -0.075 0.000 1.004 1180 R CB -0.213 30.046 30.300 -0.068 0.000 0.873 1180 R HN 0.691 nan 8.270 nan 0.000 0.467 1181 T N -4.725 109.716 114.554 -0.188 0.000 3.200 1181 T HA 0.144 4.494 4.350 0.000 0.000 0.284 1181 T C 1.184 175.801 174.700 -0.139 0.000 1.009 1181 T CA -0.343 61.582 62.100 -0.291 0.000 0.907 1181 T CB 0.750 69.104 68.868 -0.857 0.000 1.120 1181 T HN -0.140 nan 8.240 nan 0.000 0.534 1182 T N 2.529 117.069 114.554 -0.024 0.000 2.788 1182 T HA -0.067 4.283 4.350 0.000 0.000 0.268 1182 T C 1.591 176.287 174.700 -0.006 0.000 1.044 1182 T CA 1.378 63.534 62.100 0.093 0.000 1.139 1182 T CB -0.162 68.757 68.868 0.085 0.000 0.867 1182 T HN 0.544 nan 8.240 nan 0.000 0.454 1183 E N 0.903 121.083 120.200 -0.033 0.000 2.481 1183 E HA 0.102 4.452 4.350 0.000 0.000 0.195 1183 E C 0.742 177.322 176.600 -0.035 0.000 1.047 1183 E CA -0.220 56.153 56.400 -0.046 0.000 0.867 1183 E CB 0.197 29.876 29.700 -0.036 0.000 0.858 1183 E HN 0.190 nan 8.360 nan 0.000 0.513 1184 S N 1.098 116.788 115.700 -0.018 0.000 2.510 1184 S HA -0.014 4.456 4.470 0.000 0.000 0.279 1184 S C 1.125 175.731 174.600 0.010 0.000 1.284 1184 S CA -0.410 57.798 58.200 0.013 0.000 1.059 1184 S CB 0.867 64.105 63.200 0.064 0.000 0.901 1184 S HN 0.097 nan 8.310 nan 0.000 0.491 1185 Q N 3.928 123.710 119.800 -0.029 0.000 2.124 1185 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 1185 Q C 1.874 177.777 176.000 -0.162 0.000 0.977 1185 Q CA 1.536 57.287 55.803 -0.086 0.000 0.850 1185 Q CB -0.282 28.417 28.738 -0.066 0.000 0.901 1185 Q HN 0.836 nan 8.270 nan 0.000 0.429 1186 L N -0.632 120.520 121.223 -0.119 0.000 2.042 1186 L HA -0.233 4.107 4.340 0.000 0.000 0.210 1186 L C 2.106 178.795 176.870 -0.302 0.000 1.076 1186 L CA 1.441 56.141 54.840 -0.232 0.000 0.749 1186 L CB -0.468 41.510 42.059 -0.136 0.000 0.893 1186 L HN 0.285 nan 8.230 nan 0.000 0.432 1187 H N -0.943 118.033 119.070 -0.156 0.000 2.470 1187 H HA 0.014 4.570 4.556 0.000 0.000 0.289 1187 H C 2.336 177.627 175.328 -0.062 0.000 1.033 1187 H CA 0.751 56.739 56.048 -0.099 0.000 1.331 1187 H CB 0.134 29.886 29.762 -0.018 0.000 1.414 1187 H HN 0.143 nan 8.280 nan 0.000 0.545 1188 R N 0.478 120.982 120.500 0.007 0.000 2.090 1188 R HA -0.078 4.262 4.340 0.000 0.000 0.228 1188 R C 1.841 177.990 176.300 -0.252 0.000 1.110 1188 R CA 1.305 57.377 56.100 -0.046 0.000 0.973 1188 R CB 0.011 30.232 30.300 -0.132 0.000 0.869 1188 R HN 0.500 nan 8.270 nan 0.000 0.440 1189 E N 0.821 120.728 120.200 -0.487 0.000 2.051 1189 E HA -0.209 4.141 4.350 0.000 0.000 0.192 1189 E C 1.981 178.332 176.600 -0.415 0.000 0.991 1189 E CA 1.001 56.982 56.400 -0.698 0.000 0.799 1189 E CB -0.171 28.851 29.700 -1.130 0.000 0.748 1189 E HN 0.099 nan 8.360 nan 0.000 0.449 1190 L N 1.401 122.376 121.223 -0.414 0.000 1.990 1190 L HA -0.213 4.127 4.340 0.000 0.000 0.213 1190 L C 2.300 179.093 176.870 -0.129 0.000 1.072 1190 L CA 2.283 56.979 54.840 -0.241 0.000 0.755 1190 L CB -0.739 41.148 42.059 -0.286 0.000 0.889 1190 L HN 0.065 nan 8.230 nan 0.000 0.432 1191 A N -0.631 122.130 122.820 -0.097 0.000 1.917 1191 A HA -0.278 4.042 4.320 0.000 0.000 0.219 1191 A C 2.474 180.029 177.584 -0.050 0.000 1.182 1191 A CA 2.440 54.435 52.037 -0.070 0.000 0.633 1191 A CB -1.408 17.649 19.000 0.096 0.000 0.819 1191 A HN 0.734 nan 8.150 nan 0.000 0.448 1192 S N -0.947 114.760 115.700 0.012 0.000 2.465 1192 S HA 0.071 4.541 4.470 0.000 0.000 0.241 1192 S C 1.527 176.165 174.600 0.064 0.000 1.000 1192 S CA 1.397 59.648 58.200 0.085 0.000 0.964 1192 S CB -0.546 62.808 63.200 0.257 0.000 0.763 1192 S HN 0.798 nan 8.310 nan 0.000 0.512 1193 G N 0.181 108.997 108.800 0.027 0.000 3.192 1193 G HA2 0.419 4.379 3.960 0.000 0.000 0.239 1193 G HA3 0.419 4.379 3.960 0.000 0.000 0.239 1193 G C 0.197 175.036 174.900 -0.101 0.000 1.084 1193 G CA -0.517 44.590 45.100 0.012 0.000 0.784 1193 G HN 0.446 nan 8.290 nan 0.000 0.540 1194 L N 1.475 122.558 121.223 -0.233 0.000 2.397 1194 L HA 0.204 4.544 4.340 0.000 0.000 0.271 1194 L C 0.862 177.435 176.870 -0.495 0.000 1.148 1194 L CA -0.397 54.139 54.840 -0.507 0.000 0.825 1194 L CB 1.595 43.099 42.059 -0.926 0.000 1.117 1194 L HN -0.055 nan 8.230 nan 0.000 0.456 1195 S N 3.165 118.621 115.700 -0.406 0.000 2.859 1195 S HA 0.231 4.701 4.470 0.000 0.000 0.245 1195 S C -0.431 174.202 174.600 0.056 0.000 1.008 1195 S CA -0.124 58.018 58.200 -0.097 0.000 1.089 1195 S CB -0.950 62.292 63.200 0.070 0.000 0.798 1195 S HN 0.464 nan 8.310 nan 0.000 0.477 1196 F N -2.594 117.404 119.950 0.079 0.000 2.773 1196 F HA 0.630 5.157 4.527 -0.000 0.000 0.314 1196 F C -3.554 172.312 175.800 0.110 0.000 1.160 1196 F CA -3.225 54.832 58.000 0.095 0.000 0.920 1196 F CB -0.036 39.001 39.000 0.062 0.000 1.323 1196 F HN -0.318 nan 8.300 nan 0.000 0.457 1197 P HA 0.322 nan 4.420 nan 0.000 0.267 1197 P C -1.075 176.378 177.300 0.255 0.000 1.200 1197 P CA -0.119 63.224 63.100 0.405 0.000 0.772 1197 P CB 1.059 33.058 31.700 0.499 0.000 0.855 1198 V N 2.366 122.295 119.914 0.025 0.000 2.760 1198 V HA 0.688 4.808 4.120 0.000 0.000 0.309 1198 V C 0.420 176.061 176.094 -0.755 0.000 1.077 1198 V CA -0.506 61.571 62.300 -0.372 0.000 0.910 1198 V CB 2.242 33.847 31.823 -0.364 0.000 1.008 1198 V HN 0.706 nan 8.190 nan 0.000 0.424 1199 G N 2.521 110.725 108.800 -0.993 0.000 2.416 1199 G HA2 0.740 4.700 3.960 0.000 0.000 0.329 1199 G HA3 0.740 4.700 3.960 0.000 0.000 0.329 1199 G C -1.481 172.990 174.900 -0.714 0.000 1.173 1199 G CA -0.362 44.075 45.100 -1.105 0.000 0.929 1199 G HN 0.381 nan 8.290 nan 0.000 0.475 1200 F N 0.507 120.281 119.950 -0.293 0.000 2.495 1200 F HA 0.449 4.976 4.527 0.000 0.000 0.327 1200 F C 0.673 176.440 175.800 -0.055 0.000 1.103 1200 F CA -0.813 57.106 58.000 -0.135 0.000 0.949 1200 F CB 2.562 41.497 39.000 -0.108 0.000 1.142 1200 F HN 0.167 nan 8.300 nan 0.000 0.457 1201 K N 2.828 123.321 120.400 0.155 0.000 2.144 1201 K HA 0.215 4.535 4.320 0.000 0.000 0.270 1201 K C -0.004 176.661 176.600 0.109 0.000 1.005 1201 K CA -0.837 55.520 56.287 0.118 0.000 0.932 1201 K CB 0.598 33.146 32.500 0.079 0.000 1.021 1201 K HN 0.677 nan 8.250 nan 0.000 0.462 1202 N N 0.553 119.312 118.700 0.098 0.000 2.381 1202 N HA -0.024 4.716 4.740 0.000 0.000 0.241 1202 N C 0.291 175.833 175.510 0.054 0.000 1.279 1202 N CA -0.359 52.735 53.050 0.074 0.000 0.896 1202 N CB 0.373 38.905 38.487 0.075 0.000 1.118 1202 N HN 0.583 nan 8.380 nan 0.000 0.438 1203 G N -0.213 108.609 108.800 0.037 0.000 2.720 1203 G HA2 0.020 3.980 3.960 0.000 0.000 0.237 1203 G HA3 0.020 3.980 3.960 0.000 0.000 0.237 1203 G C 1.082 175.998 174.900 0.027 0.000 1.239 1203 G CA 0.030 45.145 45.100 0.024 0.000 0.847 1203 G HN 0.711 nan 8.290 nan 0.000 0.593 1204 T N -0.538 114.028 114.554 0.020 0.000 2.962 1204 T HA -0.126 4.224 4.350 0.000 0.000 0.270 1204 T C 1.637 176.350 174.700 0.021 0.000 1.088 1204 T CA 1.407 63.520 62.100 0.022 0.000 1.127 1204 T CB -0.101 68.776 68.868 0.015 0.000 0.883 1204 T HN 0.673 nan 8.240 nan 0.000 0.493 1205 D N 1.100 121.510 120.400 0.017 0.000 2.349 1205 D HA 0.182 4.822 4.640 0.000 0.000 0.224 1205 D C 1.688 177.999 176.300 0.018 0.000 1.029 1205 D CA 0.707 54.716 54.000 0.015 0.000 0.879 1205 D CB -0.636 40.170 40.800 0.010 0.000 0.906 1205 D HN 0.517 nan 8.370 nan 0.000 0.528 1206 G N 0.074 108.888 108.800 0.024 0.000 2.258 1206 G HA2 -0.286 3.674 3.960 0.000 0.000 0.233 1206 G HA3 -0.286 3.674 3.960 0.000 0.000 0.233 1206 G C 0.619 175.535 174.900 0.027 0.000 1.006 1206 G CA 0.456 45.572 45.100 0.027 0.000 0.620 1206 G HN 0.794 nan 8.290 nan 0.000 0.511 1207 T N -0.570 113.997 114.554 0.022 0.000 2.813 1207 T HA 0.605 4.955 4.350 0.000 0.000 0.297 1207 T C 1.099 175.815 174.700 0.026 0.000 1.036 1207 T CA 0.297 62.410 62.100 0.021 0.000 1.044 1207 T CB 1.479 70.355 68.868 0.013 0.000 0.993 1207 T HN 0.332 nan 8.240 nan 0.000 0.535 1208 L N 1.501 122.739 121.223 0.026 0.000 2.640 1208 L HA 0.313 4.653 4.340 0.000 0.000 0.230 1208 L C 1.870 178.748 176.870 0.013 0.000 1.123 1208 L CA 0.240 55.099 54.840 0.031 0.000 0.900 1208 L CB -1.099 40.986 42.059 0.044 0.000 1.146 1208 L HN 0.626 nan 8.230 nan 0.000 0.484 1209 N N 0.385 119.087 118.700 0.004 0.000 2.011 1209 N HA -0.236 4.504 4.740 0.000 0.000 0.199 1209 N C 1.996 177.486 175.510 -0.033 0.000 1.047 1209 N CA 2.098 55.142 53.050 -0.011 0.000 0.863 1209 N CB -0.752 37.729 38.487 -0.009 0.000 1.056 1209 N HN 0.278 nan 8.380 nan 0.000 0.427 1210 V N -1.523 118.371 119.914 -0.033 0.000 2.324 1210 V HA -0.178 3.942 4.120 0.000 0.000 0.250 1210 V C 2.096 178.123 176.094 -0.112 0.000 1.060 1210 V CA 1.984 64.247 62.300 -0.062 0.000 1.042 1210 V CB -1.340 30.460 31.823 -0.040 0.000 0.650 1210 V HN 0.350 nan 8.190 nan 0.000 0.450 1211 A N 0.093 122.874 122.820 -0.065 0.000 1.930 1211 A HA -0.023 4.297 4.320 0.000 0.000 0.217 1211 A C 2.374 179.878 177.584 -0.133 0.000 1.175 1211 A CA 1.981 53.973 52.037 -0.075 0.000 0.627 1211 A CB -0.773 18.258 19.000 0.052 0.000 0.815 1211 A HN 0.469 nan 8.150 nan 0.000 0.443 1212 V N 0.669 120.542 119.914 -0.070 0.000 2.307 1212 V HA -0.224 3.896 4.120 0.000 0.000 0.245 1212 V C 2.180 178.208 176.094 -0.110 0.000 1.045 1212 V CA 2.217 64.482 62.300 -0.057 0.000 1.024 1212 V CB -0.796 31.017 31.823 -0.017 0.000 0.651 1212 V HN 0.494 nan 8.190 nan 0.000 0.449 1213 D N 0.635 120.965 120.400 -0.117 0.000 2.104 1213 D HA -0.175 4.465 4.640 0.000 0.000 0.194 1213 D C 2.253 178.423 176.300 -0.217 0.000 0.994 1213 D CA 1.794 55.721 54.000 -0.121 0.000 0.830 1213 D CB -0.433 40.310 40.800 -0.095 0.000 0.959 1213 D HN 0.431 nan 8.370 nan 0.000 0.452 1214 A N 0.654 123.240 122.820 -0.390 0.000 1.892 1214 A HA -0.238 4.082 4.320 0.000 0.000 0.218 1214 A C 2.626 179.787 177.584 -0.706 0.000 1.188 1214 A CA 1.716 53.302 52.037 -0.753 0.000 0.631 1214 A CB -1.101 17.010 19.000 -1.482 0.000 0.822 1214 A HN 0.377 nan 8.150 nan 0.000 0.447 1215 C N -0.824 118.170 119.300 -0.510 0.000 2.413 1215 C HA -0.143 4.317 4.460 0.000 0.000 0.276 1215 C C 2.955 177.870 174.990 -0.126 0.000 1.248 1215 C CA 1.243 60.152 59.018 -0.182 0.000 1.742 1215 C CB -1.438 26.284 27.740 -0.028 0.000 2.017 1215 C HN 0.677 nan 8.230 nan 0.000 0.481 1216 Q N 0.674 120.393 119.800 -0.136 0.000 2.079 1216 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 1216 Q C 2.563 178.468 176.000 -0.158 0.000 0.974 1216 Q CA 1.667 57.389 55.803 -0.136 0.000 0.840 1216 Q CB -0.407 28.292 28.738 -0.066 0.000 0.898 1216 Q HN 0.735 nan 8.270 nan 0.000 0.430 1217 A N 1.546 124.334 122.820 -0.054 0.000 1.883 1217 A HA -0.134 4.186 4.320 0.000 0.000 0.217 1217 A C 2.334 180.015 177.584 0.161 0.000 1.186 1217 A CA 1.713 53.816 52.037 0.110 0.000 0.624 1217 A CB -0.815 18.210 19.000 0.041 0.000 0.822 1217 A HN 0.394 nan 8.150 nan 0.000 0.444 1218 A N -0.534 122.301 122.820 0.025 0.000 2.121 1218 A HA 0.257 4.577 4.320 0.000 0.000 0.218 1218 A C 2.264 179.882 177.584 0.056 0.000 1.154 1218 A CA 1.643 53.730 52.037 0.084 0.000 0.679 1218 A CB -0.696 18.379 19.000 0.126 0.000 0.795 1218 A HN 1.035 nan 8.150 nan 0.000 0.458 1219 A N -0.988 121.782 122.820 -0.084 0.000 2.119 1219 A HA 0.070 4.390 4.320 0.000 0.000 0.217 1219 A C 1.023 178.506 177.584 -0.168 0.000 1.153 1219 A CA 0.269 52.206 52.037 -0.166 0.000 0.692 1219 A CB -0.413 18.424 19.000 -0.272 0.000 0.799 1219 A HN 0.580 nan 8.150 nan 0.000 0.458 1220 H N -0.284 118.813 119.070 0.044 0.000 2.505 1220 H HA 0.364 4.920 4.556 -0.000 0.000 0.355 1220 H C 0.254 175.537 175.328 -0.075 0.000 1.179 1220 H CA -0.272 55.743 56.048 -0.054 0.000 1.343 1220 H CB 1.016 30.686 29.762 -0.154 0.000 1.501 1220 H HN 0.210 nan 8.280 nan 0.000 0.569 1221 S N 1.287 116.998 115.700 0.019 0.000 2.580 1221 S HA 0.140 4.610 4.470 0.000 0.000 0.274 1221 S C -0.494 174.006 174.600 -0.166 0.000 1.329 1221 S CA -0.316 57.885 58.200 0.002 0.000 1.036 1221 S CB 0.079 63.280 63.200 0.001 0.000 0.919 1221 S HN 0.518 nan 8.310 nan 0.000 0.515 1222 H N 1.655 120.831 119.070 0.177 0.000 2.821 1222 H HA 0.342 4.898 4.556 -0.000 0.000 0.373 1222 H C -1.301 174.179 175.328 0.252 0.000 1.165 1222 H CA -0.525 55.679 56.048 0.261 0.000 1.154 1222 H CB 1.726 31.708 29.762 0.367 0.000 1.765 1222 H HN 0.773 nan 8.280 nan 0.000 0.549 1223 H N 2.271 121.502 119.070 0.269 0.000 2.658 1223 H HA 0.414 4.970 4.556 -0.000 0.000 0.337 1223 H C -1.330 174.099 175.328 0.168 0.000 1.009 1223 H CA -0.556 55.521 56.048 0.049 0.000 1.231 1223 H CB 0.384 30.160 29.762 0.023 0.000 1.508 1223 H HN 0.462 nan 8.280 nan 0.000 0.517 1224 F N 1.456 121.284 119.950 -0.203 0.000 2.807 1224 F HA 0.441 4.968 4.527 0.000 0.000 0.316 1224 F C -1.728 173.973 175.800 -0.165 0.000 1.162 1224 F CA -1.386 56.536 58.000 -0.131 0.000 0.910 1224 F CB 1.003 39.974 39.000 -0.048 0.000 1.314 1224 F HN 0.282 nan 8.300 nan 0.000 0.454 1225 M N 1.593 121.287 119.600 0.158 0.000 2.216 1225 M HA 0.690 5.170 4.480 0.000 0.000 0.356 1225 M C 0.106 176.518 176.300 0.188 0.000 1.205 1225 M CA -0.028 55.310 55.300 0.063 0.000 1.122 1225 M CB 1.245 33.869 32.600 0.040 0.000 1.571 1225 M HN 1.001 nan 8.290 nan 0.000 0.464 1226 G N 1.222 110.067 108.800 0.075 0.000 2.576 1226 G HA2 0.535 4.495 3.960 0.000 0.000 0.290 1226 G HA3 0.535 4.495 3.960 0.000 0.000 0.290 1226 G C -1.468 173.440 174.900 0.013 0.000 1.442 1226 G CA -0.780 44.378 45.100 0.096 0.000 0.792 1226 G HN 0.530 nan 8.290 nan 0.000 0.491 1227 V N 0.632 120.549 119.914 0.006 0.000 2.775 1227 V HA 0.580 4.700 4.120 0.000 0.000 0.299 1227 V C 1.218 177.275 176.094 -0.062 0.000 1.062 1227 V CA 0.301 62.585 62.300 -0.027 0.000 1.063 1227 V CB 1.005 32.815 31.823 -0.023 0.000 0.994 1227 V HN 1.148 nan 8.190 nan 0.000 0.483 1231 G N 1.474 110.289 108.800 0.026 0.000 2.148 1231 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 1231 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 1231 G C 0.418 175.327 174.900 0.016 0.000 0.981 1231 G CA 0.858 45.969 45.100 0.018 0.000 0.670 1231 G HN 0.748 nan 8.290 nan 0.000 0.528 1232 V N -2.398 117.528 119.914 0.019 0.000 3.019 1232 V HA 0.971 5.091 4.120 0.000 0.000 0.317 1232 V C 0.393 176.481 176.094 -0.012 0.000 1.094 1232 V CA -0.367 61.935 62.300 0.002 0.000 1.000 1232 V CB 1.924 33.754 31.823 0.011 0.000 1.060 1232 V HN 1.764 nan 8.190 nan 0.000 0.443 1233 A N 2.340 125.149 122.820 -0.019 0.000 2.328 1233 A HA 0.944 5.264 4.320 0.000 0.000 0.284 1233 A C 0.270 177.835 177.584 -0.032 0.000 1.160 1233 A CA 0.206 52.229 52.037 -0.023 0.000 0.818 1233 A CB 0.299 19.287 19.000 -0.020 0.000 1.087 1233 A HN 2.330 nan 8.150 nan 0.000 0.504 1234 A N 2.009 124.799 122.820 -0.050 0.000 2.552 1234 A HA 0.775 5.095 4.320 0.000 0.000 0.288 1234 A C -0.807 176.702 177.584 -0.126 0.000 1.193 1234 A CA -0.606 51.387 52.037 -0.073 0.000 0.713 1234 A CB 0.700 19.657 19.000 -0.071 0.000 1.305 1234 A HN 0.729 nan 8.150 nan 0.000 0.424 1235 I N 1.504 121.974 120.570 -0.168 0.000 2.315 1235 I HA 0.345 4.515 4.170 0.000 0.000 0.291 1235 I C -0.215 175.661 176.117 -0.401 0.000 1.006 1235 I CA -0.035 61.084 61.300 -0.302 0.000 1.265 1235 I CB 1.647 39.478 38.000 -0.280 0.000 1.387 1235 I HN 0.550 nan 8.210 nan 0.000 0.475 1236 T N 4.069 118.246 114.554 -0.629 0.000 2.859 1236 T HA 0.411 4.761 4.350 0.000 0.000 0.281 1236 T C -0.097 174.184 174.700 -0.698 0.000 1.005 1236 T CA -0.444 61.256 62.100 -0.667 0.000 1.025 1236 T CB 1.519 69.876 68.868 -0.851 0.000 0.977 1236 T HN 0.468 nan 8.240 nan 0.000 0.458 1237 T N 2.786 117.139 114.554 -0.335 0.000 2.840 1237 T HA 0.569 4.919 4.350 0.000 0.000 0.287 1237 T C 0.320 174.981 174.700 -0.065 0.000 0.991 1237 T CA -0.828 61.211 62.100 -0.101 0.000 0.964 1237 T CB 1.171 70.078 68.868 0.066 0.000 0.954 1237 T HN 0.786 nan 8.240 nan 0.000 0.438 1238 T N -0.389 114.179 114.554 0.024 0.000 2.936 1238 T HA 0.484 4.834 4.350 0.000 0.000 0.282 1238 T C 1.079 175.822 174.700 0.071 0.000 1.003 1238 T CA -0.956 61.187 62.100 0.071 0.000 1.005 1238 T CB 1.573 70.552 68.868 0.184 0.000 1.097 1238 T HN 0.600 nan 8.240 nan 0.000 0.532 1239 K N -0.125 120.305 120.400 0.051 0.000 2.352 1239 K HA 0.519 4.839 4.320 0.000 0.000 0.194 1239 K C 0.906 177.531 176.600 0.041 0.000 1.038 1239 K CA 0.015 56.322 56.287 0.034 0.000 1.023 1239 K CB -0.125 32.383 32.500 0.013 0.000 0.840 1239 K HN 1.243 nan 8.250 nan 0.000 0.519 1240 G N 1.142 109.979 108.800 0.062 0.000 2.674 1240 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 1240 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 1240 G C -1.937 172.960 174.900 -0.004 0.000 1.195 1240 G CA -0.725 44.408 45.100 0.056 0.000 0.776 1240 G HN 0.246 nan 8.290 nan 0.000 0.654 1241 N N 0.889 119.580 118.700 -0.014 0.000 2.483 1241 N HA 0.320 5.060 4.740 0.000 0.000 0.267 1241 N C 1.254 176.713 175.510 -0.085 0.000 0.998 1241 N CA -0.218 52.798 53.050 -0.058 0.000 0.918 1241 N CB 1.422 39.894 38.487 -0.025 0.000 1.215 1241 N HN 0.727 nan 8.380 nan 0.000 0.500 1242 E N 2.476 122.547 120.200 -0.214 0.000 2.478 1242 E HA -0.068 4.282 4.350 0.000 0.000 0.194 1242 E C -0.345 176.192 176.600 -0.105 0.000 1.045 1242 E CA 0.646 56.928 56.400 -0.197 0.000 0.868 1242 E CB -0.328 29.216 29.700 -0.260 0.000 0.885 1242 E HN 0.647 nan 8.360 nan 0.000 0.505 1243 H N 0.178 119.311 119.070 0.105 0.000 2.640 1243 H HA 0.278 4.834 4.556 -0.000 0.000 0.312 1243 H C -0.426 175.054 175.328 0.253 0.000 1.110 1243 H CA -0.817 55.336 56.048 0.175 0.000 1.098 1243 H CB -0.045 29.817 29.762 0.166 0.000 1.485 1243 H HN 0.079 nan 8.280 nan 0.000 0.526 1244 C N 1.682 121.157 119.300 0.293 0.000 2.358 1244 C HA 0.503 4.963 4.460 0.000 0.000 0.342 1244 C C -0.059 175.125 174.990 0.322 0.000 1.234 1244 C CA -0.732 58.427 59.018 0.235 0.000 1.969 1244 C CB -0.795 27.095 27.740 0.250 0.000 2.346 1244 C HN 0.571 nan 8.230 nan 0.000 0.525 1245 F N 0.163 120.252 119.950 0.232 0.000 2.664 1245 F HA 0.832 5.359 4.527 -0.000 0.000 0.317 1245 F C -0.859 175.078 175.800 0.228 0.000 1.108 1245 F CA -1.377 56.743 58.000 0.200 0.000 0.957 1245 F CB 0.267 39.372 39.000 0.175 0.000 1.365 1245 F HN 0.226 nan 8.300 nan 0.000 0.475 1246 V N 2.366 122.494 119.914 0.357 0.000 2.567 1246 V HA 0.398 4.518 4.120 0.000 0.000 0.289 1246 V C -0.015 176.278 176.094 0.332 0.000 1.049 1246 V CA -0.601 61.851 62.300 0.254 0.000 0.969 1246 V CB 1.509 33.449 31.823 0.195 0.000 0.995 1246 V HN 0.621 nan 8.190 nan 0.000 0.471 1247 I N 5.047 125.761 120.570 0.239 0.000 2.362 1247 I HA 0.363 4.533 4.170 0.000 0.000 0.289 1247 I C -0.433 175.803 176.117 0.198 0.000 0.994 1247 I CA -0.390 61.066 61.300 0.259 0.000 1.158 1247 I CB 1.486 39.623 38.000 0.229 0.000 1.315 1247 I HN 0.357 nan 8.210 nan 0.000 0.451 1248 L N 7.339 128.682 121.223 0.199 0.000 2.281 1248 L HA 0.381 4.721 4.340 0.000 0.000 0.285 1248 L C 0.569 177.547 176.870 0.180 0.000 1.074 1248 L CA -0.204 54.738 54.840 0.170 0.000 0.817 1248 L CB 0.491 42.650 42.059 0.167 0.000 1.168 1248 L HN 0.698 nan 8.230 nan 0.000 0.434 1249 R N 1.564 122.158 120.500 0.156 0.000 2.637 1249 R HA 0.475 4.815 4.340 0.000 0.000 0.446 1249 R C 0.260 176.647 176.300 0.145 0.000 1.024 1249 R CA -0.067 56.130 56.100 0.163 0.000 1.080 1249 R CB 0.402 30.785 30.300 0.139 0.000 1.421 1249 R HN 0.654 nan 8.270 nan 0.000 0.593 1250 G N -0.580 108.301 108.800 0.136 0.000 2.752 1250 G HA2 0.178 4.138 3.960 0.000 0.000 0.234 1250 G HA3 0.178 4.138 3.960 0.000 0.000 0.234 1250 G C 0.122 175.069 174.900 0.079 0.000 1.367 1250 G CA -0.302 44.863 45.100 0.108 0.000 0.879 1250 G HN 1.049 nan 8.290 nan 0.000 0.563 1251 G N -2.306 106.531 108.800 0.062 0.000 2.360 1251 G HA2 0.567 4.527 3.960 0.000 0.000 0.276 1251 G HA3 0.567 4.527 3.960 0.000 0.000 0.276 1251 G C 0.490 175.411 174.900 0.036 0.000 1.256 1251 G CA 0.606 45.734 45.100 0.047 0.000 0.890 1251 G HN 0.870 nan 8.290 nan 0.000 0.486 1252 K N 0.483 120.899 120.400 0.027 0.000 2.280 1252 K HA -0.053 4.267 4.320 0.000 0.000 0.202 1252 K C 1.866 178.475 176.600 0.015 0.000 1.047 1252 K CA 1.498 57.797 56.287 0.021 0.000 0.942 1252 K CB -0.100 32.410 32.500 0.016 0.000 0.739 1252 K HN 0.638 nan 8.250 nan 0.000 0.457 1253 K N -0.151 120.258 120.400 0.014 0.000 2.570 1253 K HA 0.217 4.537 4.320 0.000 0.000 0.210 1253 K C 0.342 176.942 176.600 0.000 0.000 1.048 1253 K CA 0.291 56.581 56.287 0.005 0.000 1.167 1253 K CB 0.102 32.604 32.500 0.003 0.000 0.892 1253 K HN 0.050 nan 8.250 nan 0.000 0.480 1254 G N 1.391 110.196 108.800 0.009 0.000 2.685 1254 G HA2 -0.273 3.687 3.960 0.000 0.000 0.387 1254 G HA3 -0.273 3.687 3.960 0.000 0.000 0.387 1254 G C -0.282 174.624 174.900 0.010 0.000 1.324 1254 G CA -0.471 44.633 45.100 0.006 0.000 0.878 1254 G HN 0.482 nan 8.290 nan 0.000 0.527 1255 T N -1.709 112.846 114.554 0.001 0.000 2.900 1255 T HA 0.459 4.809 4.350 0.000 0.000 0.307 1255 T C 0.799 175.444 174.700 -0.092 0.000 1.065 1255 T CA 0.623 62.733 62.100 0.016 0.000 1.105 1255 T CB 1.163 70.065 68.868 0.056 0.000 0.979 1255 T HN 1.862 nan 8.240 nan 0.000 0.544 1256 N N -0.017 118.668 118.700 -0.024 0.000 2.517 1256 N HA 0.108 4.848 4.740 0.000 0.000 0.285 1256 N C -0.019 175.490 175.510 -0.001 0.000 1.528 1256 N CA -0.866 52.153 53.050 -0.051 0.000 0.892 1256 N CB -0.453 38.048 38.487 0.024 0.000 1.356 1256 N HN 0.850 nan 8.380 nan 0.000 0.495 1257 Y N -1.268 119.047 120.300 0.024 0.000 2.478 1257 Y HA 0.335 4.885 4.550 0.000 0.000 0.261 1257 Y C 0.093 175.993 175.900 -0.000 0.000 1.127 1257 Y CA -1.117 56.994 58.100 0.018 0.000 1.288 1257 Y CB -0.281 38.174 38.460 -0.009 0.000 1.084 1257 Y HN 0.017 nan 8.280 nan 0.000 0.530 1258 D N 1.288 121.483 120.400 -0.342 0.000 2.360 1258 D HA 0.092 4.732 4.640 0.000 0.000 0.242 1258 D C 1.328 177.592 176.300 -0.060 0.000 1.184 1258 D CA 0.471 54.362 54.000 -0.181 0.000 0.930 1258 D CB 1.779 42.411 40.800 -0.280 0.000 1.161 1258 D HN 0.267 nan 8.370 nan 0.000 0.447 1259 A N 1.530 124.336 122.820 -0.025 0.000 1.908 1259 A HA -0.253 4.066 4.320 0.000 0.000 0.218 1259 A C 2.154 179.728 177.584 -0.016 0.000 1.181 1259 A CA 2.033 54.067 52.037 -0.006 0.000 0.627 1259 A CB -0.703 18.297 19.000 -0.001 0.000 0.818 1259 A HN 0.765 nan 8.150 nan 0.000 0.445 1260 K N -0.232 120.147 120.400 -0.036 0.000 2.009 1260 K HA -0.146 4.174 4.320 0.000 0.000 0.210 1260 K C 2.239 178.821 176.600 -0.029 0.000 1.049 1260 K CA 1.808 58.075 56.287 -0.032 0.000 0.929 1260 K CB -0.256 32.217 32.500 -0.045 0.000 0.714 1260 K HN 0.432 nan 8.250 nan 0.000 0.440 1261 S N 0.468 116.139 115.700 -0.049 0.000 2.368 1261 S HA -0.107 4.363 4.470 0.000 0.000 0.225 1261 S C 1.962 176.561 174.600 -0.002 0.000 1.030 1261 S CA 1.270 59.449 58.200 -0.035 0.000 0.999 1261 S CB -0.150 63.010 63.200 -0.067 0.000 0.844 1261 S HN 0.149 nan 8.310 nan 0.000 0.459 1262 V N 2.021 121.938 119.914 0.006 0.000 2.407 1262 V HA -0.220 3.900 4.120 0.000 0.000 0.248 1262 V C 2.613 178.724 176.094 0.028 0.000 1.055 1262 V CA 1.682 64.002 62.300 0.033 0.000 1.049 1262 V CB -1.220 30.628 31.823 0.042 0.000 0.662 1262 V HN 0.539 nan 8.190 nan 0.000 0.455 1263 A N -0.250 122.579 122.820 0.016 0.000 1.858 1263 A HA -0.258 4.062 4.320 0.000 0.000 0.216 1263 A C 2.168 179.762 177.584 0.017 0.000 1.190 1263 A CA 1.929 53.976 52.037 0.015 0.000 0.617 1263 A CB -0.557 18.448 19.000 0.007 0.000 0.827 1263 A HN 0.598 nan 8.150 nan 0.000 0.443 1264 E N -0.303 119.904 120.200 0.011 0.000 2.118 1264 E HA -0.150 4.200 4.350 0.000 0.000 0.195 1264 E C 2.253 178.866 176.600 0.022 0.000 0.992 1264 E CA 0.981 57.388 56.400 0.012 0.000 0.804 1264 E CB -0.282 29.421 29.700 0.005 0.000 0.741 1264 E HN 0.639 nan 8.360 nan 0.000 0.458 1265 A N 1.732 124.570 122.820 0.030 0.000 1.855 1265 A HA -0.200 4.120 4.320 0.000 0.000 0.215 1265 A C 1.925 179.537 177.584 0.046 0.000 1.191 1265 A CA 1.367 53.430 52.037 0.043 0.000 0.613 1265 A CB -0.254 18.781 19.000 0.058 0.000 0.829 1265 A HN 0.048 nan 8.150 nan 0.000 0.442 1266 K N 0.031 120.457 120.400 0.044 0.000 2.147 1266 K HA -0.059 4.261 4.320 0.000 0.000 0.205 1266 K C 2.164 178.785 176.600 0.035 0.000 1.049 1266 K CA 1.012 57.325 56.287 0.043 0.000 0.936 1266 K CB -0.365 32.158 32.500 0.039 0.000 0.722 1266 K HN 0.433 nan 8.250 nan 0.000 0.446 1267 A N 2.375 125.212 122.820 0.028 0.000 1.978 1267 A HA -0.207 4.113 4.320 0.000 0.000 0.220 1267 A C 1.912 179.510 177.584 0.023 0.000 1.170 1267 A CA 1.466 53.517 52.037 0.022 0.000 0.636 1267 A CB -0.392 18.618 19.000 0.017 0.000 0.810 1267 A HN 0.524 nan 8.150 nan 0.000 0.448 1268 Q N -0.599 119.217 119.800 0.027 0.000 2.204 1268 Q HA 0.407 4.747 4.340 0.000 0.000 0.209 1268 Q C -0.543 175.475 176.000 0.030 0.000 0.861 1268 Q CA -0.185 55.633 55.803 0.025 0.000 0.971 1268 Q CB -0.164 28.587 28.738 0.022 0.000 1.095 1268 Q HN 0.511 nan 8.270 nan 0.000 0.486 1269 L N 4.083 125.328 121.223 0.036 0.000 2.264 1269 L HA 0.420 4.760 4.340 0.000 0.000 0.287 1269 L C -1.915 174.977 176.870 0.036 0.000 1.039 1269 L CA -2.075 52.790 54.840 0.043 0.000 0.829 1269 L CB 0.707 42.800 42.059 0.057 0.000 1.211 1269 L HN 0.087 nan 8.230 nan 0.000 0.427 1270 P HA -0.027 nan 4.420 nan 0.000 0.269 1270 P C -0.230 177.088 177.300 0.030 0.000 1.205 1270 P CA -0.342 62.773 63.100 0.025 0.000 0.780 1270 P CB 0.701 32.413 31.700 0.020 0.000 0.858 1271 A N 1.045 123.881 122.820 0.026 0.000 2.520 1271 A HA 0.391 4.711 4.320 0.000 0.000 0.235 1271 A C 1.462 179.064 177.584 0.030 0.000 1.065 1271 A CA 0.657 52.711 52.037 0.027 0.000 0.764 1271 A CB -1.329 17.684 19.000 0.023 0.000 1.002 1271 A HN 1.029 nan 8.150 nan 0.000 0.502 1272 G N 1.296 110.117 108.800 0.035 0.000 2.147 1272 G HA2 -0.169 3.791 3.960 0.000 0.000 0.244 1272 G HA3 -0.169 3.791 3.960 0.000 0.000 0.244 1272 G C 0.377 175.309 174.900 0.052 0.000 1.005 1272 G CA 0.381 45.505 45.100 0.039 0.000 0.713 1272 G HN 1.116 nan 8.290 nan 0.000 0.515 1273 S N 0.278 116.014 115.700 0.059 0.000 2.617 1273 S HA 0.533 5.003 4.470 0.000 0.000 0.269 1273 S C 0.672 175.331 174.600 0.100 0.000 1.292 1273 S CA -0.713 57.535 58.200 0.082 0.000 1.010 1273 S CB 0.843 64.092 63.200 0.082 0.000 0.944 1273 S HN 0.446 nan 8.310 nan 0.000 0.536 1274 N N 0.638 119.424 118.700 0.142 0.000 2.434 1274 N HA 0.303 5.043 4.740 0.000 0.000 0.266 1274 N C 0.564 176.148 175.510 0.123 0.000 1.223 1274 N CA -0.203 52.936 53.050 0.147 0.000 0.972 1274 N CB 0.286 38.911 38.487 0.231 0.000 1.207 1274 N HN 0.698 nan 8.380 nan 0.000 0.525 1275 G N -0.103 108.729 108.800 0.054 0.000 2.630 1275 G HA2 0.261 4.221 3.960 0.000 0.000 0.236 1275 G HA3 0.261 4.221 3.960 0.000 0.000 0.236 1275 G C 0.139 175.075 174.900 0.060 0.000 1.248 1275 G CA -0.303 44.813 45.100 0.026 0.000 0.844 1275 G HN 0.377 nan 8.290 nan 0.000 0.588 1276 L N 0.392 121.663 121.223 0.080 0.000 2.399 1276 L HA 0.497 4.837 4.340 0.000 0.000 0.266 1276 L C 0.508 177.444 176.870 0.110 0.000 1.114 1276 L CA -0.441 54.487 54.840 0.147 0.000 0.804 1276 L CB 1.554 43.694 42.059 0.135 0.000 1.146 1276 L HN 0.473 nan 8.230 nan 0.000 0.451 1277 M N 3.470 123.200 119.600 0.216 0.000 2.253 1277 M HA 0.524 5.004 4.480 0.000 0.000 0.314 1277 M C -1.387 175.038 176.300 0.208 0.000 1.019 1277 M CA -0.377 55.031 55.300 0.180 0.000 0.932 1277 M CB 1.568 34.361 32.600 0.321 0.000 1.606 1277 M HN 0.430 nan 8.290 nan 0.000 0.430 1278 I N 3.447 124.121 120.570 0.173 0.000 2.354 1278 I HA 0.258 4.428 4.170 0.000 0.000 0.292 1278 I C -0.703 175.551 176.117 0.229 0.000 0.989 1278 I CA -0.655 60.781 61.300 0.227 0.000 1.188 1278 I CB 1.634 39.801 38.000 0.278 0.000 1.342 1278 I HN 0.636 nan 8.210 nan 0.000 0.457 1279 D N 5.044 125.587 120.400 0.239 0.000 2.295 1279 D HA 0.132 4.772 4.640 0.000 0.000 0.248 1279 D C 0.403 176.886 176.300 0.306 0.000 1.154 1279 D CA 0.023 54.157 54.000 0.223 0.000 0.857 1279 D CB 0.731 41.670 40.800 0.233 0.000 1.117 1279 D HN 0.262 nan 8.370 nan 0.000 0.468 1280 Y N 1.791 122.089 120.300 -0.004 0.000 2.395 1280 Y HA 0.070 4.620 4.550 0.000 0.000 0.293 1280 Y C 1.774 177.627 175.900 -0.079 0.000 1.123 1280 Y CA 0.102 58.151 58.100 -0.086 0.000 1.227 1280 Y CB -0.521 37.876 38.460 -0.105 0.000 1.012 1280 Y HN 0.294 nan 8.280 nan 0.000 0.552 1281 S N -2.065 113.701 115.700 0.110 0.000 2.566 1281 S HA 0.329 4.799 4.470 0.000 0.000 0.277 1281 S C -0.095 174.513 174.600 0.012 0.000 1.150 1281 S CA 0.139 58.307 58.200 -0.052 0.000 1.032 1281 S CB 0.143 63.163 63.200 -0.301 0.000 1.157 1281 S HN 0.536 nan 8.310 nan 0.000 0.507 1282 H N -0.561 118.552 119.070 0.071 0.000 1.452 1282 H HA -0.254 4.302 4.556 -0.000 0.000 0.090 1282 H C 1.563 176.935 175.328 0.074 0.000 0.968 1282 H CA 1.346 57.437 56.048 0.071 0.000 1.901 1282 H CB -1.576 28.230 29.762 0.074 0.000 2.257 1282 H HN 0.694 nan 8.280 nan 0.000 0.961 1283 G N -0.302 108.647 108.800 0.249 0.000 2.469 1283 G HA2 -0.341 3.619 3.960 0.000 0.000 0.219 1283 G HA3 -0.341 3.619 3.960 0.000 0.000 0.219 1283 G C 1.378 176.372 174.900 0.157 0.000 1.150 1283 G CA 1.380 46.578 45.100 0.163 0.000 0.763 1283 G HN 0.556 nan 8.290 nan 0.000 0.561 1284 N N 0.517 119.328 118.700 0.184 0.000 2.459 1284 N HA -0.066 4.674 4.740 0.000 0.000 0.181 1284 N C 2.226 177.807 175.510 0.118 0.000 1.046 1284 N CA 1.187 54.370 53.050 0.222 0.000 0.904 1284 N CB 0.018 38.657 38.487 0.253 0.000 0.964 1284 N HN 0.459 nan 8.380 nan 0.000 0.444 1285 S N -0.384 115.352 115.700 0.060 0.000 2.577 1285 S HA 0.118 4.588 4.470 0.000 0.000 0.219 1285 S C 0.244 174.854 174.600 0.016 0.000 0.962 1285 S CA -0.460 57.735 58.200 -0.008 0.000 0.921 1285 S CB 0.049 63.233 63.200 -0.025 0.000 0.789 1285 S HN 0.051 nan 8.310 nan 0.000 0.497 1286 N N 2.691 121.426 118.700 0.059 0.000 2.735 1286 N HA -0.168 4.572 4.740 0.000 0.000 0.248 1286 N C -0.638 174.892 175.510 0.034 0.000 1.083 1286 N CA 1.253 54.333 53.050 0.050 0.000 0.703 1286 N CB -1.964 36.545 38.487 0.036 0.000 1.005 1286 N HN 0.771 nan 8.380 nan 0.000 0.550 1287 K N -1.805 118.623 120.400 0.046 0.000 3.077 1287 K HA -0.231 4.089 4.320 0.000 0.000 0.264 1287 K C -0.679 175.938 176.600 0.029 0.000 1.008 1287 K CA 1.129 57.445 56.287 0.048 0.000 0.740 1287 K CB -0.913 31.621 32.500 0.057 0.000 1.273 1287 K HN 0.479 nan 8.250 nan 0.000 0.477 1288 D N -0.054 120.347 120.400 0.000 0.000 2.616 1288 D HA 0.128 4.768 4.640 0.000 0.000 0.238 1288 D C 0.687 176.928 176.300 -0.098 0.000 1.354 1288 D CA -0.855 53.111 54.000 -0.057 0.000 0.970 1288 D CB 0.546 41.275 40.800 -0.118 0.000 1.369 1288 D HN 0.036 nan 8.370 nan 0.000 0.585 1289 F N 3.439 123.365 119.950 -0.040 0.000 2.250 1289 F HA -0.030 4.497 4.527 0.000 0.000 0.301 1289 F C 1.670 177.446 175.800 -0.041 0.000 1.077 1289 F CA 0.794 58.764 58.000 -0.049 0.000 1.348 1289 F CB -0.298 38.675 39.000 -0.045 0.000 1.040 1289 F HN 0.199 nan 8.300 nan 0.000 0.509 1290 R N 0.889 120.797 120.500 -0.986 0.000 2.152 1290 R HA -0.078 4.262 4.340 0.000 0.000 0.232 1290 R C 1.600 177.726 176.300 -0.291 0.000 1.117 1290 R CA 1.556 57.251 56.100 -0.675 0.000 0.981 1290 R CB -0.652 29.229 30.300 -0.700 0.000 0.870 1290 R HN 0.553 nan 8.270 nan 0.000 0.451 1291 N N 0.147 118.709 118.700 -0.229 0.000 2.467 1291 N HA -0.074 4.666 4.740 0.000 0.000 0.184 1291 N C 1.142 176.549 175.510 -0.171 0.000 1.106 1291 N CA 0.116 53.065 53.050 -0.167 0.000 0.892 1291 N CB 0.202 38.609 38.487 -0.132 0.000 0.969 1291 N HN 0.357 nan 8.380 nan 0.000 0.454 1292 Q N 1.024 120.758 119.800 -0.111 0.000 2.061 1292 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 1292 Q C -0.718 175.208 176.000 -0.123 0.000 0.984 1292 Q CA 1.290 57.052 55.803 -0.069 0.000 0.846 1292 Q CB -0.851 27.931 28.738 0.074 0.000 0.902 1292 Q HN 0.419 nan 8.270 nan 0.000 0.421 1293 P HA -0.141 nan 4.420 nan 0.000 0.221 1293 P C 0.523 177.725 177.300 -0.164 0.000 1.150 1293 P CA 1.303 64.351 63.100 -0.087 0.000 0.800 1293 P CB -0.004 31.666 31.700 -0.050 0.000 0.787 1294 K N -0.267 120.023 120.400 -0.184 0.000 2.148 1294 K HA -0.019 4.301 4.320 0.000 0.000 0.204 1294 K C 2.080 178.505 176.600 -0.291 0.000 1.050 1294 K CA 0.924 57.102 56.287 -0.181 0.000 0.942 1294 K CB -0.510 31.906 32.500 -0.139 0.000 0.724 1294 K HN 0.021 nan 8.250 nan 0.000 0.446 1295 V N 1.835 121.448 119.914 -0.503 0.000 2.548 1295 V HA -0.199 3.921 4.120 0.000 0.000 0.249 1295 V C 2.000 177.589 176.094 -0.841 0.000 1.055 1295 V CA 1.603 63.366 62.300 -0.894 0.000 1.065 1295 V CB -0.586 30.539 31.823 -1.164 0.000 0.681 1295 V HN 0.358 nan 8.190 nan 0.000 0.462 1296 N N 0.749 118.992 118.700 -0.762 0.000 2.104 1296 N HA -0.190 4.550 4.740 0.000 0.000 0.190 1296 N C 1.487 176.856 175.510 -0.234 0.000 1.024 1296 N CA 1.820 54.563 53.050 -0.511 0.000 0.853 1296 N CB -0.217 38.211 38.487 -0.098 0.000 1.008 1296 N HN 0.443 nan 8.380 nan 0.000 0.424 1297 D N -0.307 119.983 120.400 -0.183 0.000 2.087 1297 D HA -0.127 4.513 4.640 0.000 0.000 0.192 1297 D C 2.065 178.325 176.300 -0.067 0.000 0.993 1297 D CA 1.222 55.166 54.000 -0.095 0.000 0.828 1297 D CB -0.636 40.118 40.800 -0.075 0.000 0.968 1297 D HN 0.117 nan 8.370 nan 0.000 0.448 1298 V N 0.901 120.778 119.914 -0.063 0.000 2.392 1298 V HA -0.198 3.922 4.120 0.000 0.000 0.249 1298 V C 2.632 178.743 176.094 0.027 0.000 1.059 1298 V CA 1.056 63.372 62.300 0.027 0.000 1.051 1298 V CB -0.462 31.468 31.823 0.177 0.000 0.658 1298 V HN 0.049 nan 8.190 nan 0.000 0.455 1299 V N -1.476 118.417 119.914 -0.035 0.000 2.379 1299 V HA -0.218 3.902 4.120 0.000 0.000 0.245 1299 V C 2.514 178.625 176.094 0.027 0.000 1.044 1299 V CA 1.930 64.237 62.300 0.012 0.000 1.036 1299 V CB -0.546 31.270 31.823 -0.011 0.000 0.664 1299 V HN 0.617 nan 8.190 nan 0.000 0.453 1300 C N -0.025 119.279 119.300 0.007 0.000 2.413 1300 C HA -0.191 4.269 4.460 0.000 0.000 0.276 1300 C C 2.786 177.784 174.990 0.012 0.000 1.248 1300 C CA 1.594 60.623 59.018 0.018 0.000 1.742 1300 C CB -0.827 26.917 27.740 0.006 0.000 2.017 1300 C HN 0.733 nan 8.230 nan 0.000 0.481 1301 E N 0.484 120.688 120.200 0.006 0.000 2.049 1301 E HA -0.310 4.040 4.350 0.000 0.000 0.198 1301 E C 2.105 178.713 176.600 0.014 0.000 1.007 1301 E CA 1.744 58.148 56.400 0.007 0.000 0.809 1301 E CB -0.222 29.482 29.700 0.006 0.000 0.749 1301 E HN 0.685 nan 8.360 nan 0.000 0.450 1302 Q N 0.180 119.993 119.800 0.022 0.000 2.061 1302 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 1302 Q C 2.455 178.469 176.000 0.023 0.000 0.984 1302 Q CA 1.877 57.695 55.803 0.025 0.000 0.846 1302 Q CB -0.199 28.561 28.738 0.036 0.000 0.902 1302 Q HN 0.437 nan 8.270 nan 0.000 0.421 1303 I N 0.719 121.305 120.570 0.027 0.000 2.163 1303 I HA -0.310 3.860 4.170 0.000 0.000 0.243 1303 I C 2.424 178.550 176.117 0.014 0.000 1.085 1303 I CA 1.061 62.375 61.300 0.023 0.000 1.347 1303 I CB -0.462 37.555 38.000 0.027 0.000 1.044 1303 I HN 0.195 nan 8.210 nan 0.000 0.408 1304 A N 0.706 123.533 122.820 0.012 0.000 1.972 1304 A HA -0.171 4.149 4.320 0.000 0.000 0.219 1304 A C 1.825 179.413 177.584 0.006 0.000 1.169 1304 A CA 1.604 53.645 52.037 0.007 0.000 0.635 1304 A CB -0.549 18.454 19.000 0.004 0.000 0.810 1304 A HN 0.442 nan 8.150 nan 0.000 0.446 1305 N N -0.724 117.981 118.700 0.008 0.000 2.449 1305 N HA 0.150 4.890 4.740 0.000 0.000 0.191 1305 N C 1.022 176.537 175.510 0.008 0.000 1.161 1305 N CA 1.041 54.096 53.050 0.007 0.000 0.863 1305 N CB 0.496 38.988 38.487 0.007 0.000 0.980 1305 N HN 0.674 nan 8.380 nan 0.000 0.458 1306 G N 0.861 109.667 108.800 0.009 0.000 2.184 1306 G HA2 -0.248 3.712 3.960 0.000 0.000 0.206 1306 G HA3 -0.248 3.712 3.960 0.000 0.000 0.206 1306 G C -0.075 174.833 174.900 0.012 0.000 0.995 1306 G CA -0.242 44.864 45.100 0.009 0.000 0.651 1306 G HN 0.341 nan 8.290 nan 0.000 0.511 1307 E N 1.360 121.569 120.200 0.016 0.000 2.292 1307 E HA 0.329 4.679 4.350 0.000 0.000 0.265 1307 E C 1.183 177.795 176.600 0.019 0.000 1.093 1307 E CA 0.002 56.414 56.400 0.020 0.000 0.922 1307 E CB 0.039 29.755 29.700 0.026 0.000 1.001 1307 E HN 0.277 nan 8.360 nan 0.000 0.444 1308 N N 3.629 122.339 118.700 0.018 0.000 2.299 1308 N HA 0.050 4.790 4.740 0.000 0.000 0.187 1308 N C 0.661 176.181 175.510 0.017 0.000 1.099 1308 N CA 0.700 53.759 53.050 0.014 0.000 0.867 1308 N CB 0.568 39.062 38.487 0.012 0.000 0.974 1308 N HN 0.505 nan 8.380 nan 0.000 0.477 1309 A N 0.704 123.540 122.820 0.025 0.000 2.067 1309 A HA 0.135 4.455 4.320 0.000 0.000 0.217 1309 A C 1.070 178.675 177.584 0.035 0.000 1.156 1309 A CA 0.223 52.280 52.037 0.033 0.000 0.683 1309 A CB -0.135 18.890 19.000 0.041 0.000 0.808 1309 A HN 0.132 nan 8.150 nan 0.000 0.455 1310 I N 1.761 122.352 120.570 0.035 0.000 2.294 1310 I HA 0.063 4.233 4.170 0.000 0.000 0.295 1310 I C 1.221 177.343 176.117 0.008 0.000 1.098 1310 I CA 0.206 61.530 61.300 0.040 0.000 1.277 1310 I CB 1.055 39.091 38.000 0.060 0.000 1.434 1310 I HN 0.308 nan 8.210 nan 0.000 0.498 1311 T N 0.774 115.314 114.554 -0.024 0.000 3.023 1311 T HA 0.360 4.710 4.350 0.000 0.000 0.253 1311 T C 0.584 175.219 174.700 -0.107 0.000 1.038 1311 T CA -0.221 61.837 62.100 -0.069 0.000 0.962 1311 T CB 0.568 69.374 68.868 -0.103 0.000 1.018 1311 T HN 0.614 nan 8.240 nan 0.000 0.521 1312 G N 0.804 109.551 108.800 -0.088 0.000 2.698 1312 G HA2 0.601 4.561 3.960 0.000 0.000 0.293 1312 G HA3 0.601 4.561 3.960 0.000 0.000 0.293 1312 G C -1.458 173.403 174.900 -0.064 0.000 1.437 1312 G CA -0.311 44.720 45.100 -0.116 0.000 0.852 1312 G HN 0.832 nan 8.290 nan 0.000 0.499 1313 V N -2.059 117.770 119.914 -0.141 0.000 3.078 1313 V HA 0.894 5.014 4.120 0.000 0.000 0.311 1313 V C -0.446 175.467 176.094 -0.302 0.000 1.138 1313 V CA -1.313 60.851 62.300 -0.226 0.000 1.007 1313 V CB 2.033 33.585 31.823 -0.452 0.000 1.045 1313 V HN 0.801 nan 8.190 nan 0.000 0.432 1314 M N 3.428 122.834 119.600 -0.324 0.000 2.259 1314 M HA 0.670 5.150 4.480 0.000 0.000 0.304 1314 M C -1.372 174.749 176.300 -0.298 0.000 1.019 1314 M CA -0.214 54.944 55.300 -0.236 0.000 0.922 1314 M CB 2.163 34.734 32.600 -0.048 0.000 1.600 1314 M HN 0.607 nan 8.290 nan 0.000 0.433 1315 I N 1.974 122.385 120.570 -0.265 0.000 2.498 1315 I HA 0.333 4.503 4.170 0.000 0.000 0.290 1315 I C -0.372 175.670 176.117 -0.125 0.000 1.032 1315 I CA -0.669 60.514 61.300 -0.195 0.000 1.073 1315 I CB 2.266 40.138 38.000 -0.212 0.000 1.251 1315 I HN 0.647 nan 8.210 nan 0.000 0.426 1316 E N 4.652 124.793 120.200 -0.099 0.000 2.014 1316 E HA 0.321 4.671 4.350 0.000 0.000 0.275 1316 E C -0.680 175.881 176.600 -0.065 0.000 0.997 1316 E CA -0.268 56.064 56.400 -0.114 0.000 0.804 1316 E CB 1.471 31.077 29.700 -0.156 0.000 1.090 1316 E HN 0.570 nan 8.360 nan 0.000 0.401 1317 S N 3.786 119.453 115.700 -0.056 0.000 2.568 1317 S HA 0.555 5.025 4.470 0.000 0.000 0.293 1317 S C -0.712 173.841 174.600 -0.079 0.000 1.089 1317 S CA -0.734 57.480 58.200 0.022 0.000 0.945 1317 S CB 1.876 65.172 63.200 0.159 0.000 1.077 1317 S HN 0.386 nan 8.310 nan 0.000 0.485 1318 N N 1.083 119.795 118.700 0.020 0.000 3.157 1318 N HA 0.490 5.230 4.740 0.000 0.000 0.291 1318 N C 1.015 176.676 175.510 0.253 0.000 1.515 1318 N CA -0.710 52.288 53.050 -0.088 0.000 0.807 1318 N CB 1.156 39.549 38.487 -0.157 0.000 1.672 1318 N HN 0.667 nan 8.380 nan 0.000 0.592 1319 I N 0.306 120.990 120.570 0.189 0.000 2.179 1319 I HA -0.166 4.004 4.170 0.000 0.000 0.242 1319 I C 0.171 176.388 176.117 0.167 0.000 1.088 1319 I CA 1.095 62.527 61.300 0.221 0.000 1.357 1319 I CB -0.130 37.908 38.000 0.063 0.000 1.051 1319 I HN 0.294 nan 8.210 nan 0.000 0.409 1320 N N 0.795 119.526 118.700 0.052 0.000 2.292 1320 N HA 0.223 4.963 4.740 0.000 0.000 0.303 1320 N C -0.758 174.709 175.510 -0.072 0.000 1.140 1320 N CA -0.520 52.541 53.050 0.019 0.000 0.788 1320 N CB 1.503 39.994 38.487 0.007 0.000 1.361 1320 N HN 0.191 nan 8.380 nan 0.000 0.489 1321 E N -0.084 120.046 120.200 -0.118 0.000 2.376 1321 E HA 0.502 4.852 4.350 0.000 0.000 0.254 1321 E C 0.751 177.036 176.600 -0.525 0.000 1.213 1321 E CA -0.552 55.636 56.400 -0.353 0.000 0.945 1321 E CB 0.310 29.836 29.700 -0.291 0.000 1.057 1321 E HN 0.641 nan 8.360 nan 0.000 0.479 1322 G N 1.061 109.192 108.800 -1.115 0.000 2.601 1322 G HA2 -0.237 3.723 3.960 0.000 0.000 0.252 1322 G HA3 -0.237 3.723 3.960 0.000 0.000 0.252 1322 G C -0.573 174.108 174.900 -0.365 0.000 1.294 1322 G CA 0.140 44.770 45.100 -0.783 0.000 0.912 1322 G HN 1.222 nan 8.290 nan 0.000 0.574 1323 N N -0.836 117.752 118.700 -0.187 0.000 3.204 1323 N HA 0.636 5.376 4.740 0.000 0.000 0.285 1323 N C -0.786 174.670 175.510 -0.089 0.000 1.536 1323 N CA 0.057 53.032 53.050 -0.125 0.000 0.832 1323 N CB 1.129 39.565 38.487 -0.085 0.000 1.645 1323 N HN 1.488 nan 8.380 nan 0.000 0.586 1324 Q N -1.119 118.624 119.800 -0.094 0.000 2.418 1324 Q HA 0.654 4.994 4.340 0.000 0.000 0.282 1324 Q C -0.856 175.088 176.000 -0.093 0.000 1.044 1324 Q CA -1.298 54.456 55.803 -0.083 0.000 0.813 1324 Q CB 1.763 30.447 28.738 -0.090 0.000 1.428 1324 Q HN 0.753 nan 8.270 nan 0.000 0.402 1325 G N 1.246 110.004 108.800 -0.070 0.000 2.562 1325 G HA2 0.515 4.476 3.960 0.000 0.000 0.275 1325 G HA3 0.515 4.476 3.960 0.000 0.000 0.275 1325 G C -0.411 174.431 174.900 -0.096 0.000 1.196 1325 G CA -0.989 44.070 45.100 -0.068 0.000 0.908 1325 G HN 0.594 nan 8.290 nan 0.000 0.524 1326 I N 2.807 123.317 120.570 -0.100 0.000 2.301 1326 I HA 0.191 4.361 4.170 0.000 0.000 0.292 1326 I C -1.377 174.695 176.117 -0.075 0.000 1.046 1326 I CA -1.435 59.793 61.300 -0.120 0.000 1.282 1326 I CB 1.305 39.218 38.000 -0.144 0.000 1.409 1326 I HN 0.336 nan 8.210 nan 0.000 0.484 1327 P HA 0.114 nan 4.420 nan 0.000 0.272 1327 P C 0.586 177.863 177.300 -0.039 0.000 1.240 1327 P CA -0.358 62.716 63.100 -0.044 0.000 0.791 1327 P CB 1.058 32.735 31.700 -0.039 0.000 0.978 1328 A N 1.615 124.419 122.820 -0.026 0.000 1.948 1328 A HA -0.244 4.076 4.320 0.000 0.000 0.220 1328 A C 1.925 179.495 177.584 -0.022 0.000 1.177 1328 A CA 2.036 54.061 52.037 -0.021 0.000 0.636 1328 A CB -1.074 17.918 19.000 -0.014 0.000 0.815 1328 A HN 0.654 nan 8.150 nan 0.000 0.449 1329 E N -0.911 119.275 120.200 -0.024 0.000 2.153 1329 E HA 0.312 4.662 4.350 0.000 0.000 0.194 1329 E C 1.360 177.942 176.600 -0.030 0.000 0.988 1329 E CA 0.810 57.197 56.400 -0.023 0.000 0.811 1329 E CB -0.386 29.302 29.700 -0.021 0.000 0.746 1329 E HN 0.941 nan 8.360 nan 0.000 0.466 1330 G N 0.103 108.876 108.800 -0.044 0.000 2.512 1330 G HA2 -0.310 3.650 3.960 0.000 0.000 0.210 1330 G HA3 -0.310 3.650 3.960 0.000 0.000 0.210 1330 G C 0.379 175.239 174.900 -0.067 0.000 1.295 1330 G CA -0.154 44.910 45.100 -0.060 0.000 0.934 1330 G HN 0.077 nan 8.290 nan 0.000 0.554 1331 K N 0.101 120.459 120.400 -0.070 0.000 2.144 1331 K HA -0.193 4.127 4.320 0.000 0.000 0.209 1331 K C 2.971 179.555 176.600 -0.026 0.000 1.047 1331 K CA 2.358 58.613 56.287 -0.053 0.000 0.927 1331 K CB -0.421 32.060 32.500 -0.031 0.000 0.716 1331 K HN 0.927 nan 8.250 nan 0.000 0.454 1332 A N 0.884 123.691 122.820 -0.021 0.000 2.032 1332 A HA -0.127 4.193 4.320 0.000 0.000 0.221 1332 A C 2.190 179.768 177.584 -0.011 0.000 1.165 1332 A CA 1.950 53.980 52.037 -0.011 0.000 0.645 1332 A CB -0.673 18.320 19.000 -0.012 0.000 0.807 1332 A HN 0.467 nan 8.150 nan 0.000 0.453 1333 G N -1.550 107.237 108.800 -0.022 0.000 3.088 1333 G HA2 0.394 4.354 3.960 0.000 0.000 0.217 1333 G HA3 0.394 4.354 3.960 0.000 0.000 0.217 1333 G C 0.269 175.155 174.900 -0.023 0.000 1.159 1333 G CA -0.345 44.742 45.100 -0.021 0.000 0.760 1333 G HN 0.243 nan 8.290 nan 0.000 0.550 1334 L N 0.967 122.175 121.223 -0.025 0.000 2.380 1334 L HA 0.304 4.644 4.340 0.000 0.000 0.273 1334 L C 0.239 177.119 176.870 0.017 0.000 1.138 1334 L CA -0.067 54.757 54.840 -0.027 0.000 0.832 1334 L CB 1.026 43.061 42.059 -0.039 0.000 1.124 1334 L HN 0.048 nan 8.230 nan 0.000 0.454 1335 K N 2.929 123.333 120.400 0.008 0.000 2.368 1335 K HA 0.069 4.389 4.320 0.000 0.000 0.282 1335 K C -0.421 176.225 176.600 0.076 0.000 1.035 1335 K CA -0.098 56.214 56.287 0.042 0.000 0.973 1335 K CB 0.269 32.776 32.500 0.013 0.000 0.957 1335 K HN 0.255 nan 8.250 nan 0.000 0.474 1336 Y N 1.601 121.896 120.300 -0.007 0.000 2.610 1336 Y HA 0.118 4.668 4.550 0.000 0.000 0.332 1336 Y C 1.376 177.273 175.900 -0.006 0.000 1.201 1336 Y CA 1.411 59.506 58.100 -0.008 0.000 1.465 1336 Y CB 0.508 38.958 38.460 -0.018 0.000 1.283 1336 Y HN 0.886 nan 8.280 nan 0.000 0.563 1337 G N 3.546 111.878 108.800 -0.780 0.000 2.203 1337 G HA2 -0.224 3.736 3.960 0.000 0.000 0.263 1337 G HA3 -0.224 3.736 3.960 0.000 0.000 0.263 1337 G C -0.810 173.962 174.900 -0.215 0.000 1.012 1337 G CA 0.364 45.133 45.100 -0.551 0.000 0.749 1337 G HN 0.732 nan 8.290 nan 0.000 0.512 1338 V N 0.460 120.295 119.914 -0.132 0.000 2.487 1338 V HA 0.642 4.762 4.120 0.000 0.000 0.298 1338 V C 0.940 176.991 176.094 -0.071 0.000 1.028 1338 V CA -0.155 62.086 62.300 -0.098 0.000 0.860 1338 V CB 1.677 33.450 31.823 -0.082 0.000 0.991 1338 V HN 0.600 nan 8.190 nan 0.000 0.427 1339 S N 4.307 119.950 115.700 -0.095 0.000 2.558 1339 S HA 0.103 4.573 4.470 0.000 0.000 0.291 1339 S C 1.013 175.519 174.600 -0.157 0.000 1.306 1339 S CA 0.107 58.257 58.200 -0.083 0.000 1.056 1339 S CB 0.144 63.290 63.200 -0.090 0.000 0.836 1339 S HN 0.717 nan 8.310 nan 0.000 0.504 1340 I N 1.867 122.285 120.570 -0.254 0.000 4.018 1340 I HA 0.228 4.398 4.170 0.000 0.000 0.337 1340 I C 0.829 176.879 176.117 -0.111 0.000 1.327 1340 I CA -0.182 60.933 61.300 -0.308 0.000 1.100 1340 I CB -0.382 37.223 38.000 -0.658 0.000 1.025 1340 I HN 0.655 nan 8.210 nan 0.000 0.396 1341 T N -2.297 112.247 114.554 -0.016 0.000 1.701 1341 T HA 0.297 4.646 4.350 0.000 0.000 0.180 1341 T C 0.209 174.935 174.700 0.043 0.000 0.686 1341 T CA -0.300 61.844 62.100 0.073 0.000 1.314 1341 T CB -0.234 68.735 68.868 0.168 0.000 3.356 1341 T HN -0.006 nan 8.240 nan 0.000 0.410 1342 D N 1.904 122.340 120.400 0.060 0.000 2.362 1342 D HA 0.540 5.180 4.640 0.000 0.000 0.242 1342 D C 0.083 176.369 176.300 -0.023 0.000 1.132 1342 D CA -0.022 53.998 54.000 0.033 0.000 0.907 1342 D CB 0.986 41.803 40.800 0.028 0.000 1.195 1342 D HN 0.778 nan 8.370 nan 0.000 0.429 1343 A N 1.107 123.920 122.820 -0.012 0.000 2.425 1343 A HA 0.387 4.707 4.320 0.000 0.000 0.249 1343 A C -0.065 177.448 177.584 -0.118 0.000 1.084 1343 A CA -0.304 51.680 52.037 -0.088 0.000 0.781 1343 A CB 0.235 19.266 19.000 0.052 0.000 1.019 1343 A HN 0.639 nan 8.150 nan 0.000 0.490 1344 C N 1.116 120.239 119.300 -0.295 0.000 2.719 1344 C HA 0.690 5.150 4.460 0.000 0.000 0.327 1344 C C 0.411 175.220 174.990 -0.302 0.000 1.238 1344 C CA -0.648 58.253 59.018 -0.194 0.000 1.727 1344 C CB 0.947 28.593 27.740 -0.157 0.000 2.256 1344 C HN 0.846 nan 8.230 nan 0.000 0.489 1345 I N 0.917 121.482 120.570 -0.008 0.000 2.713 1345 I HA 0.674 4.844 4.170 0.000 0.000 0.300 1345 I C 0.658 176.786 176.117 0.019 0.000 1.009 1345 I CA 0.067 61.432 61.300 0.108 0.000 1.305 1345 I CB 0.195 38.296 38.000 0.167 0.000 1.430 1345 I HN 0.716 nan 8.210 nan 0.000 0.546 1346 G N 2.507 111.335 108.800 0.046 0.000 2.621 1346 G HA2 0.022 3.982 3.960 0.000 0.000 0.271 1346 G HA3 0.022 3.982 3.960 0.000 0.000 0.271 1346 G C 0.209 175.204 174.900 0.157 0.000 1.236 1346 G CA -0.639 44.517 45.100 0.092 0.000 0.958 1346 G HN 1.048 nan 8.290 nan 0.000 0.512 1347 W N 0.075 121.412 121.300 0.061 0.000 2.333 1347 W HA -0.141 4.519 4.660 0.000 0.000 0.316 1347 W C 2.072 178.606 176.519 0.024 0.000 1.215 1347 W CA 1.816 59.193 57.345 0.053 0.000 1.278 1347 W CB 0.062 29.541 29.460 0.032 0.000 1.154 1347 W HN 0.678 nan 8.180 nan 0.000 0.486 1348 E N -0.021 120.152 120.200 -0.046 0.000 2.070 1348 E HA -0.217 4.133 4.350 0.000 0.000 0.197 1348 E C 2.067 178.549 176.600 -0.196 0.000 1.004 1348 E CA 2.878 59.194 56.400 -0.139 0.000 0.805 1348 E CB -1.056 28.652 29.700 0.014 0.000 0.744 1348 E HN 0.102 nan 8.360 nan 0.000 0.451 1349 T N 0.095 114.586 114.554 -0.105 0.000 2.788 1349 T HA -0.127 4.223 4.350 0.000 0.000 0.268 1349 T C 1.849 176.456 174.700 -0.156 0.000 1.044 1349 T CA 1.672 63.723 62.100 -0.081 0.000 1.139 1349 T CB -0.486 68.388 68.868 0.009 0.000 0.867 1349 T HN 0.220 nan 8.240 nan 0.000 0.454 1350 T N 2.066 116.469 114.554 -0.252 0.000 2.788 1350 T HA -0.079 4.271 4.350 0.000 0.000 0.268 1350 T C 1.920 176.348 174.700 -0.452 0.000 1.044 1350 T CA 1.075 62.978 62.100 -0.328 0.000 1.139 1350 T CB -0.219 68.419 68.868 -0.383 0.000 0.867 1350 T HN 0.547 nan 8.240 nan 0.000 0.454 1351 E N 0.937 120.757 120.200 -0.634 0.000 2.077 1351 E HA -0.154 4.196 4.350 0.000 0.000 0.193 1351 E C 2.042 178.491 176.600 -0.253 0.000 0.989 1351 E CA 1.215 57.323 56.400 -0.486 0.000 0.800 1351 E CB -0.131 29.298 29.700 -0.453 0.000 0.746 1351 E HN 0.432 nan 8.360 nan 0.000 0.452 1352 D N 0.391 120.672 120.400 -0.199 0.000 2.084 1352 D HA -0.136 4.504 4.640 0.000 0.000 0.194 1352 D C 2.120 178.364 176.300 -0.093 0.000 0.990 1352 D CA 0.806 54.736 54.000 -0.116 0.000 0.826 1352 D CB -0.472 40.275 40.800 -0.087 0.000 0.971 1352 D HN -0.005 nan 8.370 nan 0.000 0.453 1353 V N 1.004 120.862 119.914 -0.092 0.000 2.287 1353 V HA -0.229 3.891 4.120 0.000 0.000 0.248 1353 V C 2.596 178.664 176.094 -0.044 0.000 1.053 1353 V CA 1.306 63.580 62.300 -0.042 0.000 1.027 1353 V CB -0.468 31.348 31.823 -0.011 0.000 0.646 1353 V HN 0.212 nan 8.190 nan 0.000 0.447 1354 L N -0.858 120.306 121.223 -0.099 0.000 2.109 1354 L HA -0.119 4.221 4.340 0.000 0.000 0.207 1354 L C 2.758 179.585 176.870 -0.071 0.000 1.086 1354 L CA 1.429 56.214 54.840 -0.092 0.000 0.760 1354 L CB -0.571 41.406 42.059 -0.135 0.000 0.910 1354 L HN 0.240 nan 8.230 nan 0.000 0.437 1355 R N 0.579 121.031 120.500 -0.080 0.000 2.081 1355 R HA -0.161 4.179 4.340 0.000 0.000 0.235 1355 R C 2.720 178.997 176.300 -0.039 0.000 1.131 1355 R CA 1.760 57.826 56.100 -0.058 0.000 0.960 1355 R CB -0.543 29.721 30.300 -0.061 0.000 0.856 1355 R HN 0.311 nan 8.270 nan 0.000 0.436 1356 K N 1.493 121.871 120.400 -0.037 0.000 2.057 1356 K HA -0.071 4.249 4.320 0.000 0.000 0.207 1356 K C 1.939 178.532 176.600 -0.010 0.000 1.049 1356 K CA 1.422 57.696 56.287 -0.022 0.000 0.931 1356 K CB -1.013 31.474 32.500 -0.021 0.000 0.714 1356 K HN 0.205 nan 8.250 nan 0.000 0.440 1357 L N -0.259 120.962 121.223 -0.003 0.000 2.046 1357 L HA -0.120 4.220 4.340 0.000 0.000 0.208 1357 L C 2.933 179.799 176.870 -0.006 0.000 1.077 1357 L CA 1.509 56.355 54.840 0.010 0.000 0.747 1357 L CB -0.442 41.625 42.059 0.015 0.000 0.896 1357 L HN 0.484 nan 8.230 nan 0.000 0.432 1358 A N -0.342 122.467 122.820 -0.019 0.000 1.902 1358 A HA -0.186 4.134 4.320 0.000 0.000 0.217 1358 A C 2.429 180.004 177.584 -0.015 0.000 1.181 1358 A CA 1.643 53.667 52.037 -0.021 0.000 0.623 1358 A CB -0.698 18.286 19.000 -0.027 0.000 0.818 1358 A HN 0.535 nan 8.150 nan 0.000 0.443 1359 A N -0.078 122.733 122.820 -0.014 0.000 1.902 1359 A HA 0.153 4.473 4.320 0.000 0.000 0.217 1359 A C 2.508 180.088 177.584 -0.007 0.000 1.181 1359 A CA 2.083 54.113 52.037 -0.011 0.000 0.623 1359 A CB -1.045 17.948 19.000 -0.013 0.000 0.818 1359 A HN 1.092 nan 8.150 nan 0.000 0.443 1360 A N -0.643 122.174 122.820 -0.004 0.000 1.940 1360 A HA -0.014 4.306 4.320 0.000 0.000 0.219 1360 A C 2.212 179.797 177.584 0.001 0.000 1.176 1360 A CA 1.842 53.880 52.037 0.001 0.000 0.631 1360 A CB -0.825 18.181 19.000 0.009 0.000 0.814 1360 A HN 0.392 nan 8.150 nan 0.000 0.446 1361 V N -0.623 119.290 119.914 -0.002 0.000 2.379 1361 V HA -0.205 3.915 4.120 0.000 0.000 0.245 1361 V C 2.603 178.694 176.094 -0.006 0.000 1.044 1361 V CA 2.182 64.479 62.300 -0.005 0.000 1.036 1361 V CB -0.723 31.093 31.823 -0.011 0.000 0.664 1361 V HN 0.541 nan 8.190 nan 0.000 0.453 1362 R N 0.021 120.517 120.500 -0.007 0.000 2.073 1362 R HA -0.191 4.149 4.340 0.000 0.000 0.234 1362 R C 2.659 178.956 176.300 -0.004 0.000 1.134 1362 R CA 2.131 58.227 56.100 -0.007 0.000 0.952 1362 R CB -0.637 29.658 30.300 -0.008 0.000 0.850 1362 R HN 0.640 nan 8.270 nan 0.000 0.433 1363 Q N 0.817 120.615 119.800 -0.003 0.000 2.170 1363 Q HA -0.197 4.143 4.340 0.000 0.000 0.203 1363 Q C 1.960 177.960 176.000 -0.000 0.000 0.976 1363 Q CA 1.899 57.700 55.803 -0.002 0.000 0.858 1363 Q CB -0.685 28.052 28.738 -0.002 0.000 0.907 1363 Q HN 0.459 nan 8.270 nan 0.000 0.433 1364 R N -0.343 120.157 120.500 0.000 0.000 2.096 1364 R HA -0.081 4.259 4.340 0.000 0.000 0.235 1364 R C 2.523 178.824 176.300 0.001 0.000 1.127 1364 R CA 1.238 57.339 56.100 0.002 0.000 0.968 1364 R CB -0.134 30.168 30.300 0.003 0.000 0.861 1364 R HN 0.528 nan 8.270 nan 0.000 0.440 1365 R N 0.107 120.606 120.500 -0.001 0.000 2.127 1365 R HA -0.114 4.226 4.340 0.000 0.000 0.238 1365 R C 1.949 178.249 176.300 -0.000 0.000 1.134 1365 R CA 1.244 57.343 56.100 -0.001 0.000 0.975 1365 R CB -0.068 30.230 30.300 -0.003 0.000 0.865 1365 R HN 0.312 nan 8.270 nan 0.000 0.447 1366 E N 0.298 120.498 120.200 -0.001 0.000 2.072 1366 E HA -0.099 4.251 4.350 0.000 0.000 0.190 1366 E C 2.137 178.738 176.600 0.001 0.000 0.982 1366 E CA 0.892 57.291 56.400 -0.000 0.000 0.803 1366 E CB -0.200 29.500 29.700 -0.001 0.000 0.755 1366 E HN 0.104 nan 8.360 nan 0.000 0.453 1367 V N 2.716 122.631 119.914 0.002 0.000 2.720 1367 V HA -0.195 3.925 4.120 0.000 0.000 0.256 1367 V C 1.521 177.617 176.094 0.003 0.000 1.082 1367 V CA 1.391 63.692 62.300 0.003 0.000 1.101 1367 V CB -0.496 31.329 31.823 0.003 0.000 0.693 1367 V HN 0.202 nan 8.190 nan 0.000 0.479 1368 N N -0.855 117.847 118.700 0.003 0.000 2.353 1368 N HA 0.036 4.776 4.740 0.000 0.000 0.185 1368 N C 0.908 176.420 175.510 0.003 0.000 1.098 1368 N CA 0.193 53.245 53.050 0.003 0.000 0.872 1368 N CB 0.135 38.624 38.487 0.003 0.000 0.970 1368 N HN 0.411 nan 8.380 nan 0.000 0.467 1369 K N 0.000 120.401 120.400 0.002 0.000 2.780 1369 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1369 K CA 0.000 56.288 56.287 0.002 0.000 0.838 1369 K CB 0.000 32.501 32.500 0.001 0.000 1.064 1369 K HN 0.000 nan 8.250 nan 0.000 0.543