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 1kjy_1_C DATA FIRST_RESID 1030 DATA SEQUENCE GAREVKLLLL GAGESGKSTI VKQMKIIHEA GYSEEECKQY KAVVYSNTIQ DATA SEQUENCE SIIAIIRAMG RLKIDFGDSA RADDARQLFV LAGAAEEGFM TAELAGVIKR DATA SEQUENCE LWKDSGVQAC FNRSREYQLN DSAAYYLNDL DRIAQPNYIP TQQDVLRTRV DATA SEQUENCE KTTGIVETHF TFKDLHFKMF DVGGQRSERK KWIHCFEGVT AIIFCVALSD DATA SEQUENCE YDLVLAEDEE MNRMHESMKL FDSICNNKWF TDTSIILFLN KKDLFEEKIK DATA SEQUENCE KSPLTICYPE YAGSNTYEEA AAYIQCQFED LNKRKDTKEI YTHFTCATDT DATA SEQUENCE KNVQFVFDAV TDVIIKNN 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 1030 G HA2 0.000 nan 3.960 nan 0.000 0.244 1030 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1030 G C 0.000 174.885 174.900 -0.026 0.000 0.946 1030 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 1031 A N 1.166 123.980 122.820 -0.010 0.000 2.937 1031 A HA 0.664 4.984 4.320 0.000 0.000 0.338 1031 A C 0.861 178.446 177.584 0.002 0.000 1.273 1031 A CA -0.449 51.583 52.037 -0.007 0.000 0.937 1031 A CB -0.152 18.885 19.000 0.061 0.000 1.133 1031 A HN 0.625 nan 8.150 nan 0.000 0.491 1032 R N 0.696 121.163 120.500 -0.055 0.000 2.705 1032 R HA 0.030 4.370 4.340 0.000 0.000 0.264 1032 R C -0.009 176.244 176.300 -0.078 0.000 0.988 1032 R CA 0.759 56.816 56.100 -0.073 0.000 1.103 1032 R CB 0.471 30.703 30.300 -0.113 0.000 0.950 1032 R HN 0.753 nan 8.270 nan 0.000 0.427 1033 E N 1.094 121.248 120.200 -0.077 0.000 2.199 1033 E HA 0.279 4.629 4.350 0.000 0.000 0.265 1033 E C -1.483 175.035 176.600 -0.137 0.000 0.882 1033 E CA -0.657 55.695 56.400 -0.079 0.000 0.759 1033 E CB 1.739 31.426 29.700 -0.021 0.000 1.148 1033 E HN 0.197 nan 8.360 nan 0.000 0.412 1034 V N 4.636 124.401 119.914 -0.247 0.000 2.384 1034 V HA 0.318 4.438 4.120 0.000 0.000 0.287 1034 V C -0.176 175.898 176.094 -0.035 0.000 1.020 1034 V CA -0.784 61.395 62.300 -0.200 0.000 0.850 1034 V CB 1.398 32.947 31.823 -0.457 0.000 0.987 1034 V HN 0.545 nan 8.190 nan 0.000 0.436 1035 K N 4.816 125.255 120.400 0.064 0.000 2.281 1035 K HA 0.602 4.923 4.320 0.000 0.000 0.272 1035 K C -1.583 175.144 176.600 0.212 0.000 1.048 1035 K CA -0.618 55.768 56.287 0.165 0.000 0.898 1035 K CB 0.874 33.498 32.500 0.206 0.000 1.128 1035 K HN 0.463 nan 8.250 nan 0.000 0.460 1036 L N 4.995 126.361 121.223 0.238 0.000 2.322 1036 L HA 0.460 4.800 4.340 0.000 0.000 0.281 1036 L C -0.913 176.120 176.870 0.272 0.000 1.014 1036 L CA -0.711 54.274 54.840 0.242 0.000 0.815 1036 L CB 1.421 43.638 42.059 0.265 0.000 1.247 1036 L HN 0.566 nan 8.230 nan 0.000 0.421 1037 L N 4.301 125.669 121.223 0.242 0.000 2.325 1037 L HA 0.634 4.974 4.340 0.000 0.000 0.281 1037 L C -1.311 175.665 176.870 0.177 0.000 1.004 1037 L CA -0.357 54.627 54.840 0.241 0.000 0.823 1037 L CB 1.312 43.509 42.059 0.231 0.000 1.236 1037 L HN 0.301 nan 8.230 nan 0.000 0.415 1038 L N 6.235 127.543 121.223 0.141 0.000 2.276 1038 L HA 0.551 4.891 4.340 0.000 0.000 0.286 1038 L C -0.209 176.721 176.870 0.100 0.000 1.061 1038 L CA 0.280 55.163 54.840 0.073 0.000 0.807 1038 L CB 1.053 43.136 42.059 0.039 0.000 1.177 1038 L HN 0.613 nan 8.230 nan 0.000 0.429 1039 L N 1.937 123.193 121.223 0.053 0.000 2.257 1039 L HA 1.011 5.351 4.340 0.000 0.000 0.257 1039 L C 0.078 176.745 176.870 -0.338 0.000 1.033 1039 L CA -0.876 53.994 54.840 0.050 0.000 0.835 1039 L CB 2.247 44.476 42.059 0.283 0.000 1.398 1039 L HN 0.670 nan 8.230 nan 0.000 0.429 1040 G N 0.106 108.686 108.800 -0.367 0.000 2.348 1040 G HA2 0.355 4.315 3.960 0.000 0.000 0.606 1040 G HA3 0.355 4.315 3.960 0.000 0.000 0.606 1040 G C -0.956 173.849 174.900 -0.159 0.000 1.466 1040 G CA -0.428 44.337 45.100 -0.559 0.000 0.950 1040 G HN 0.843 nan 8.290 nan 0.000 0.657 1041 A N 0.126 122.899 122.820 -0.077 0.000 2.555 1041 A HA 0.607 4.927 4.320 0.000 0.000 0.233 1041 A C 1.494 179.087 177.584 0.015 0.000 1.060 1041 A CA 1.235 53.285 52.037 0.022 0.000 0.759 1041 A CB 0.148 19.186 19.000 0.064 0.000 0.995 1041 A HN 2.433 nan 8.150 nan 0.000 0.506 1042 G N 0.046 108.871 108.800 0.042 0.000 2.432 1042 G HA2 0.411 4.371 3.960 0.000 0.000 0.239 1042 G HA3 0.411 4.371 3.960 0.000 0.000 0.239 1042 G C 0.398 175.317 174.900 0.032 0.000 1.291 1042 G CA 0.629 45.753 45.100 0.040 0.000 0.863 1042 G HN 1.013 nan 8.290 nan 0.000 0.560 1043 E N -0.141 120.074 120.200 0.025 0.000 4.223 1043 E HA -0.274 4.076 4.350 0.000 0.000 0.379 1043 E C 1.864 178.472 176.600 0.014 0.000 0.610 1043 E CA 1.396 57.810 56.400 0.023 0.000 1.397 1043 E CB -1.871 27.848 29.700 0.031 0.000 1.803 1043 E HN 0.833 nan 8.360 nan 0.000 0.385 1044 S N -0.515 115.186 115.700 0.001 0.000 2.515 1044 S HA 0.248 4.718 4.470 0.000 0.000 0.231 1044 S C 1.626 176.221 174.600 -0.008 0.000 0.987 1044 S CA 1.523 59.715 58.200 -0.013 0.000 0.936 1044 S CB 0.674 63.838 63.200 -0.060 0.000 0.766 1044 S HN 0.978 nan 8.310 nan 0.000 0.528 1045 G N 1.113 109.911 108.800 -0.003 0.000 2.205 1045 G HA2 -0.212 3.748 3.960 0.000 0.000 0.180 1045 G HA3 -0.212 3.748 3.960 0.000 0.000 0.180 1045 G C 0.766 175.675 174.900 0.015 0.000 1.004 1045 G CA 0.116 45.220 45.100 0.006 0.000 0.670 1045 G HN 0.443 nan 8.290 nan 0.000 0.496 1046 K N 0.909 121.311 120.400 0.004 0.000 2.000 1046 K HA -0.146 4.174 4.320 0.000 0.000 0.218 1046 K C 2.697 179.304 176.600 0.012 0.000 1.053 1046 K CA 1.984 58.276 56.287 0.009 0.000 0.946 1046 K CB -0.457 32.043 32.500 0.001 0.000 0.723 1046 K HN 0.361 nan 8.250 nan 0.000 0.446 1047 S N 0.394 116.099 115.700 0.007 0.000 2.365 1047 S HA -0.203 4.267 4.470 0.000 0.000 0.225 1047 S C 1.999 176.591 174.600 -0.014 0.000 1.039 1047 S CA 2.211 60.413 58.200 0.003 0.000 1.033 1047 S CB -0.569 62.634 63.200 0.005 0.000 0.887 1047 S HN 0.335 nan 8.310 nan 0.000 0.447 1048 T N 2.719 117.257 114.554 -0.027 0.000 2.759 1048 T HA -0.037 4.313 4.350 0.000 0.000 0.269 1048 T C 1.731 176.402 174.700 -0.047 0.000 1.042 1048 T CA 1.368 63.436 62.100 -0.053 0.000 1.140 1048 T CB -0.306 68.525 68.868 -0.062 0.000 0.864 1048 T HN 0.328 nan 8.240 nan 0.000 0.455 1049 I N 1.034 121.595 120.570 -0.015 0.000 2.286 1049 I HA -0.103 4.067 4.170 0.000 0.000 0.248 1049 I C 2.499 178.575 176.117 -0.068 0.000 1.115 1049 I CA 1.033 62.327 61.300 -0.010 0.000 1.392 1049 I CB -1.256 36.792 38.000 0.080 0.000 1.065 1049 I HN 0.145 nan 8.210 nan 0.000 0.418 1050 V N 0.969 120.859 119.914 -0.040 0.000 2.427 1050 V HA -0.248 3.873 4.120 0.000 0.000 0.248 1050 V C 2.448 178.503 176.094 -0.065 0.000 1.051 1050 V CA 1.590 63.862 62.300 -0.047 0.000 1.048 1050 V CB -0.657 31.162 31.823 -0.007 0.000 0.666 1050 V HN 0.401 nan 8.190 nan 0.000 0.456 1051 K N -0.657 119.724 120.400 -0.032 0.000 2.155 1051 K HA -0.123 4.197 4.320 0.000 0.000 0.203 1051 K C 2.264 178.838 176.600 -0.043 0.000 1.052 1051 K CA 0.798 57.102 56.287 0.027 0.000 0.948 1051 K CB -0.158 32.358 32.500 0.026 0.000 0.728 1051 K HN 0.371 nan 8.250 nan 0.000 0.448 1052 Q N 0.047 119.770 119.800 -0.129 0.000 2.224 1052 Q HA -0.048 4.292 4.340 0.000 0.000 0.203 1052 Q C 2.025 177.798 176.000 -0.379 0.000 0.970 1052 Q CA 1.045 56.721 55.803 -0.211 0.000 0.865 1052 Q CB 0.043 28.661 28.738 -0.201 0.000 0.922 1052 Q HN 0.329 nan 8.270 nan 0.000 0.445 1053 M N 0.303 119.635 119.600 -0.447 0.000 2.123 1053 M HA -0.102 4.378 4.480 0.000 0.000 0.263 1053 M C 1.870 177.816 176.300 -0.590 0.000 1.069 1053 M CA 1.380 56.223 55.300 -0.762 0.000 1.133 1053 M CB -0.745 31.357 32.600 -0.830 0.000 1.356 1053 M HN 0.079 nan 8.290 nan 0.000 0.415 1054 K N 0.114 120.310 120.400 -0.340 0.000 2.211 1054 K HA -0.093 4.227 4.320 0.000 0.000 0.204 1054 K C 1.923 178.352 176.600 -0.285 0.000 1.047 1054 K CA 1.034 57.155 56.287 -0.277 0.000 0.935 1054 K CB -0.200 32.131 32.500 -0.282 0.000 0.728 1054 K HN 0.318 nan 8.250 nan 0.000 0.452 1055 I N 0.461 120.886 120.570 -0.241 0.000 2.235 1055 I HA -0.228 3.942 4.170 0.000 0.000 0.241 1055 I C 2.186 178.152 176.117 -0.252 0.000 1.085 1055 I CA 1.101 62.296 61.300 -0.175 0.000 1.378 1055 I CB -0.152 37.790 38.000 -0.097 0.000 1.076 1055 I HN 0.055 nan 8.210 nan 0.000 0.415 1056 I N 0.135 120.456 120.570 -0.415 0.000 2.185 1056 I HA -0.245 3.925 4.170 0.000 0.000 0.235 1056 I C 1.640 177.453 176.117 -0.507 0.000 1.069 1056 I CA 1.515 62.490 61.300 -0.542 0.000 1.354 1056 I CB -0.565 36.905 38.000 -0.883 0.000 1.093 1056 I HN 0.211 nan 8.210 nan 0.000 0.411 1057 H N 0.451 119.232 119.070 -0.481 0.000 2.555 1057 H HA 0.270 4.826 4.556 0.000 0.000 0.283 1057 H C -0.051 175.178 175.328 -0.166 0.000 1.037 1057 H CA -0.195 55.636 56.048 -0.361 0.000 1.169 1057 H CB 0.095 29.490 29.762 -0.611 0.000 1.375 1057 H HN 0.405 nan 8.280 nan 0.000 0.582 1058 E N -0.643 119.495 120.200 -0.102 0.000 2.415 1058 E HA 0.498 4.849 4.350 0.000 0.000 0.255 1058 E C 0.766 177.325 176.600 -0.068 0.000 0.936 1058 E CA -0.425 55.950 56.400 -0.042 0.000 0.876 1058 E CB 0.838 30.493 29.700 -0.074 0.000 1.696 1058 E HN 0.100 nan 8.360 nan 0.000 0.435 1059 A N 0.337 123.114 122.820 -0.072 0.000 1.851 1059 A HA 0.191 4.511 4.320 0.000 0.000 0.216 1059 A C 1.135 178.651 177.584 -0.114 0.000 1.195 1059 A CA 2.419 54.410 52.037 -0.076 0.000 0.622 1059 A CB -0.946 18.007 19.000 -0.078 0.000 0.831 1059 A HN 0.805 nan 8.150 nan 0.000 0.444 1060 G N -3.041 105.633 108.800 -0.211 0.000 2.341 1060 G HA2 0.069 4.029 3.960 0.000 0.000 0.196 1060 G HA3 0.069 4.029 3.960 0.000 0.000 0.196 1060 G C -0.775 173.885 174.900 -0.400 0.000 1.231 1060 G CA -0.248 44.707 45.100 -0.241 0.000 1.155 1060 G HN 0.618 nan 8.290 nan 0.000 0.529 1061 Y N 1.908 122.202 120.300 -0.009 0.000 2.426 1061 Y HA 0.578 5.128 4.550 0.000 0.000 0.325 1061 Y C 0.970 176.878 175.900 0.014 0.000 0.989 1061 Y CA -0.041 58.073 58.100 0.022 0.000 1.284 1061 Y CB 1.781 40.265 38.460 0.041 0.000 1.104 1061 Y HN 0.828 nan 8.280 nan 0.000 0.481 1062 S N 0.712 116.479 115.700 0.111 0.000 2.572 1062 S HA -0.005 4.465 4.470 0.000 0.000 0.279 1062 S C 1.299 175.943 174.600 0.073 0.000 1.341 1062 S CA -0.317 57.922 58.200 0.065 0.000 1.043 1062 S CB 1.327 64.544 63.200 0.030 0.000 0.887 1062 S HN 0.907 nan 8.310 nan 0.000 0.516 1063 E N 1.211 121.434 120.200 0.039 0.000 2.130 1063 E HA -0.296 4.054 4.350 0.000 0.000 0.196 1063 E C 1.708 178.314 176.600 0.011 0.000 0.998 1063 E CA 1.646 58.057 56.400 0.018 0.000 0.806 1063 E CB -0.225 29.476 29.700 0.000 0.000 0.738 1063 E HN 0.918 nan 8.360 nan 0.000 0.459 1064 E N -0.357 119.850 120.200 0.011 0.000 2.409 1064 E HA -0.175 4.175 4.350 0.000 0.000 0.198 1064 E C 1.428 178.029 176.600 0.002 0.000 1.024 1064 E CA 0.870 57.270 56.400 0.001 0.000 0.861 1064 E CB 0.202 29.901 29.700 -0.001 0.000 0.788 1064 E HN 0.402 nan 8.360 nan 0.000 0.521 1065 E N -1.009 119.211 120.200 0.033 0.000 2.206 1065 E HA -0.022 4.328 4.350 0.000 0.000 0.195 1065 E C 2.077 178.711 176.600 0.056 0.000 0.935 1065 E CA 0.261 56.689 56.400 0.046 0.000 0.875 1065 E CB 0.025 29.804 29.700 0.131 0.000 0.841 1065 E HN 0.265 nan 8.360 nan 0.000 0.477 1066 C N 2.020 121.387 119.300 0.111 0.000 2.396 1066 C HA -0.158 4.302 4.460 0.000 0.000 0.277 1066 C C 2.314 177.324 174.990 0.033 0.000 1.231 1066 C CA 1.082 60.171 59.018 0.119 0.000 1.775 1066 C CB -0.703 27.059 27.740 0.038 0.000 2.036 1066 C HN 0.364 nan 8.230 nan 0.000 0.484 1067 K N 0.031 120.412 120.400 -0.033 0.000 2.280 1067 K HA -0.160 4.160 4.320 0.000 0.000 0.202 1067 K C 2.116 178.672 176.600 -0.074 0.000 1.047 1067 K CA 0.921 57.169 56.287 -0.065 0.000 0.942 1067 K CB -0.172 32.296 32.500 -0.053 0.000 0.739 1067 K HN 0.557 nan 8.250 nan 0.000 0.457 1068 Q N -0.077 119.646 119.800 -0.129 0.000 2.119 1068 Q HA -0.126 4.214 4.340 0.000 0.000 0.201 1068 Q C 1.663 177.527 176.000 -0.228 0.000 0.972 1068 Q CA 1.521 57.194 55.803 -0.216 0.000 0.847 1068 Q CB -0.325 28.198 28.738 -0.358 0.000 0.903 1068 Q HN 0.544 nan 8.270 nan 0.000 0.433 1069 Y N 0.745 121.001 120.300 -0.072 0.000 2.616 1069 Y HA -0.058 4.492 4.550 0.000 0.000 0.296 1069 Y C 2.207 178.023 175.900 -0.140 0.000 1.154 1069 Y CA 0.341 58.384 58.100 -0.096 0.000 1.325 1069 Y CB 0.118 38.511 38.460 -0.111 0.000 1.007 1069 Y HN 0.062 nan 8.280 nan 0.000 0.542 1070 K N 0.345 120.721 120.400 -0.041 0.000 2.032 1070 K HA -0.220 4.100 4.320 0.000 0.000 0.209 1070 K C 2.429 178.858 176.600 -0.286 0.000 1.048 1070 K CA 1.140 57.298 56.287 -0.214 0.000 0.927 1070 K CB -0.307 32.113 32.500 -0.133 0.000 0.712 1070 K HN 0.311 nan 8.250 nan 0.000 0.441 1071 A N 0.810 123.582 122.820 -0.080 0.000 1.917 1071 A HA -0.172 4.148 4.320 0.000 0.000 0.219 1071 A C 2.259 179.829 177.584 -0.022 0.000 1.182 1071 A CA 1.937 53.976 52.037 0.002 0.000 0.633 1071 A CB -0.677 18.333 19.000 0.017 0.000 0.819 1071 A HN 0.131 nan 8.150 nan 0.000 0.448 1072 V N -0.830 119.066 119.914 -0.030 0.000 2.719 1072 V HA -0.129 3.991 4.120 0.000 0.000 0.252 1072 V C 2.432 178.443 176.094 -0.138 0.000 1.065 1072 V CA 1.394 63.681 62.300 -0.022 0.000 1.086 1072 V CB -0.519 31.352 31.823 0.081 0.000 0.700 1072 V HN 0.342 nan 8.190 nan 0.000 0.467 1073 V N -0.597 119.171 119.914 -0.244 0.000 2.307 1073 V HA -0.238 3.882 4.120 0.000 0.000 0.245 1073 V C 2.342 178.152 176.094 -0.473 0.000 1.045 1073 V CA 2.057 64.057 62.300 -0.500 0.000 1.024 1073 V CB -0.722 30.846 31.823 -0.424 0.000 0.651 1073 V HN 0.492 nan 8.190 nan 0.000 0.449 1074 Y N -0.028 120.131 120.300 -0.235 0.000 2.242 1074 Y HA -0.127 4.423 4.550 0.000 0.000 0.291 1074 Y C 2.912 178.691 175.900 -0.201 0.000 1.137 1074 Y CA 1.095 59.059 58.100 -0.227 0.000 1.181 1074 Y CB -1.204 37.163 38.460 -0.155 0.000 0.989 1074 Y HN 0.221 nan 8.280 nan 0.000 0.527 1075 S N 0.059 115.758 115.700 -0.002 0.000 2.368 1075 S HA -0.197 4.273 4.470 0.000 0.000 0.225 1075 S C 1.835 176.395 174.600 -0.065 0.000 1.030 1075 S CA 1.663 59.847 58.200 -0.026 0.000 0.999 1075 S CB -0.486 62.708 63.200 -0.010 0.000 0.844 1075 S HN 0.622 nan 8.310 nan 0.000 0.459 1076 N N -0.358 118.271 118.700 -0.118 0.000 2.244 1076 N HA -0.070 4.670 4.740 0.000 0.000 0.183 1076 N C 1.592 177.038 175.510 -0.107 0.000 1.016 1076 N CA 1.570 54.559 53.050 -0.102 0.000 0.866 1076 N CB -0.187 38.226 38.487 -0.124 0.000 0.980 1076 N HN 0.381 nan 8.380 nan 0.000 0.430 1077 T N 1.496 115.930 114.554 -0.201 0.000 2.737 1077 T HA -0.035 4.315 4.350 0.000 0.000 0.265 1077 T C 2.006 176.623 174.700 -0.137 0.000 1.038 1077 T CA 0.782 62.786 62.100 -0.160 0.000 1.144 1077 T CB -0.161 68.596 68.868 -0.184 0.000 0.866 1077 T HN 0.169 nan 8.240 nan 0.000 0.434 1078 I N 1.159 121.651 120.570 -0.129 0.000 2.226 1078 I HA -0.222 3.948 4.170 0.000 0.000 0.245 1078 I C 2.760 178.807 176.117 -0.117 0.000 1.100 1078 I CA 1.387 62.602 61.300 -0.141 0.000 1.374 1078 I CB -0.496 37.423 38.000 -0.135 0.000 1.057 1078 I HN 0.297 nan 8.210 nan 0.000 0.413 1079 Q N 0.188 119.947 119.800 -0.069 0.000 2.170 1079 Q HA -0.153 4.187 4.340 0.000 0.000 0.203 1079 Q C 2.416 178.413 176.000 -0.004 0.000 0.976 1079 Q CA 1.696 57.483 55.803 -0.026 0.000 0.858 1079 Q CB -0.127 28.612 28.738 0.003 0.000 0.907 1079 Q HN 0.431 nan 8.270 nan 0.000 0.433 1080 S N 0.773 116.463 115.700 -0.016 0.000 2.338 1080 S HA -0.129 4.341 4.470 0.000 0.000 0.218 1080 S C 1.883 176.479 174.600 -0.007 0.000 1.032 1080 S CA 0.913 59.117 58.200 0.008 0.000 0.999 1080 S CB -0.251 62.936 63.200 -0.022 0.000 0.905 1080 S HN 0.267 nan 8.310 nan 0.000 0.439 1081 I N 2.221 122.740 120.570 -0.085 0.000 2.208 1081 I HA -0.155 4.015 4.170 0.000 0.000 0.245 1081 I C 1.884 177.991 176.117 -0.018 0.000 1.097 1081 I CA 1.224 62.485 61.300 -0.065 0.000 1.363 1081 I CB -0.417 37.510 38.000 -0.122 0.000 1.051 1081 I HN 0.277 nan 8.210 nan 0.000 0.413 1082 I N 0.259 120.780 120.570 -0.081 0.000 2.208 1082 I HA -0.337 3.833 4.170 0.000 0.000 0.245 1082 I C 2.595 178.751 176.117 0.065 0.000 1.097 1082 I CA 1.371 62.624 61.300 -0.078 0.000 1.363 1082 I CB -0.652 37.260 38.000 -0.147 0.000 1.051 1082 I HN 0.329 nan 8.210 nan 0.000 0.413 1083 A N 1.244 124.110 122.820 0.076 0.000 1.873 1083 A HA -0.235 4.086 4.320 0.000 0.000 0.218 1083 A C 2.264 179.900 177.584 0.086 0.000 1.193 1083 A CA 1.817 53.919 52.037 0.109 0.000 0.629 1083 A CB -0.954 18.143 19.000 0.163 0.000 0.826 1083 A HN 0.415 nan 8.150 nan 0.000 0.447 1084 I N -0.065 120.601 120.570 0.160 0.000 2.208 1084 I HA -0.260 3.911 4.170 0.000 0.000 0.245 1084 I C 2.250 178.406 176.117 0.065 0.000 1.097 1084 I CA 0.971 62.377 61.300 0.177 0.000 1.363 1084 I CB -0.467 37.727 38.000 0.323 0.000 1.051 1084 I HN 0.267 nan 8.210 nan 0.000 0.413 1085 I N 0.693 121.333 120.570 0.117 0.000 2.127 1085 I HA -0.277 3.893 4.170 0.000 0.000 0.241 1085 I C 2.739 178.903 176.117 0.078 0.000 1.075 1085 I CA 1.620 63.010 61.300 0.149 0.000 1.334 1085 I CB -1.373 36.775 38.000 0.248 0.000 1.040 1085 I HN 0.295 nan 8.210 nan 0.000 0.405 1086 R N 0.893 121.441 120.500 0.079 0.000 2.115 1086 R HA -0.201 4.139 4.340 0.000 0.000 0.239 1086 R C 2.304 178.536 176.300 -0.115 0.000 1.133 1086 R CA 1.846 57.954 56.100 0.013 0.000 0.935 1086 R CB -1.159 29.153 30.300 0.020 0.000 0.853 1086 R HN 0.437 nan 8.270 nan 0.000 0.433 1087 A N 1.297 123.950 122.820 -0.278 0.000 1.903 1087 A HA -0.238 4.083 4.320 0.000 0.000 0.219 1087 A C 2.385 179.803 177.584 -0.277 0.000 1.191 1087 A CA 2.184 53.917 52.037 -0.506 0.000 0.638 1087 A CB -0.610 17.579 19.000 -1.352 0.000 0.823 1087 A HN 0.295 nan 8.150 nan 0.000 0.451 1088 M N -0.789 118.699 119.600 -0.187 0.000 2.144 1088 M HA -0.180 4.300 4.480 0.000 0.000 0.260 1088 M C 2.253 178.466 176.300 -0.144 0.000 1.067 1088 M CA 1.496 56.703 55.300 -0.155 0.000 1.095 1088 M CB -0.643 31.834 32.600 -0.204 0.000 1.365 1088 M HN 0.563 nan 8.290 nan 0.000 0.406 1089 G N 0.073 108.803 108.800 -0.117 0.000 2.433 1089 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 1089 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 1089 G C 1.579 176.433 174.900 -0.075 0.000 1.186 1089 G CA 0.659 45.707 45.100 -0.086 0.000 0.779 1089 G HN 0.385 nan 8.290 nan 0.000 0.543 1090 R N -0.156 120.295 120.500 -0.081 0.000 2.096 1090 R HA 0.107 4.447 4.340 0.000 0.000 0.235 1090 R C 2.324 178.596 176.300 -0.046 0.000 1.127 1090 R CA 0.806 56.870 56.100 -0.059 0.000 0.968 1090 R CB -0.358 29.905 30.300 -0.061 0.000 0.861 1090 R HN 0.324 nan 8.270 nan 0.000 0.440 1091 L N 0.894 122.083 121.223 -0.057 0.000 2.591 1091 L HA 0.102 4.442 4.340 0.000 0.000 0.228 1091 L C 0.159 177.007 176.870 -0.036 0.000 1.133 1091 L CA -0.265 54.559 54.840 -0.026 0.000 0.880 1091 L CB -0.178 41.881 42.059 -0.001 0.000 1.033 1091 L HN 0.034 nan 8.230 nan 0.000 0.450 1092 K N 2.127 122.494 120.400 -0.056 0.000 4.856 1092 K HA -0.193 4.127 4.320 0.000 0.000 0.306 1092 K C -1.026 175.530 176.600 -0.072 0.000 0.895 1092 K CA 0.634 56.883 56.287 -0.063 0.000 0.963 1092 K CB -1.543 30.932 32.500 -0.041 0.000 1.737 1092 K HN 0.372 nan 8.250 nan 0.000 0.424 1093 I N 3.759 124.261 120.570 -0.113 0.000 2.439 1093 I HA 0.251 4.422 4.170 0.000 0.000 0.285 1093 I C 0.213 176.196 176.117 -0.224 0.000 1.021 1093 I CA -1.026 60.199 61.300 -0.125 0.000 1.091 1093 I CB 1.498 39.438 38.000 -0.101 0.000 1.242 1093 I HN 0.318 nan 8.210 nan 0.000 0.439 1094 D N 5.284 125.583 120.400 -0.167 0.000 2.344 1094 D HA 0.227 4.867 4.640 0.000 0.000 0.244 1094 D C -0.324 175.853 176.300 -0.205 0.000 1.134 1094 D CA 0.059 53.945 54.000 -0.191 0.000 0.930 1094 D CB 0.974 41.747 40.800 -0.046 0.000 1.175 1094 D HN 0.074 nan 8.370 nan 0.000 0.437 1095 F N 0.181 120.143 119.950 0.021 0.000 2.529 1095 F HA 0.200 4.728 4.527 0.000 0.000 0.365 1095 F C 1.916 177.724 175.800 0.012 0.000 1.102 1095 F CA -0.283 57.730 58.000 0.021 0.000 1.271 1095 F CB 0.475 39.488 39.000 0.022 0.000 1.120 1095 F HN 0.366 nan 8.300 nan 0.000 0.579 1096 G N 1.310 110.217 108.800 0.178 0.000 3.028 1096 G HA2 -0.044 3.917 3.960 0.000 0.000 0.205 1096 G HA3 -0.044 3.917 3.960 0.000 0.000 0.205 1096 G C -0.145 174.812 174.900 0.094 0.000 1.182 1096 G CA 0.364 45.523 45.100 0.098 0.000 0.860 1096 G HN 0.675 nan 8.290 nan 0.000 0.507 1097 D N -0.816 119.666 120.400 0.136 0.000 2.492 1097 D HA 0.007 4.647 4.640 0.000 0.000 0.229 1097 D C 1.123 177.472 176.300 0.082 0.000 1.345 1097 D CA -0.047 54.001 54.000 0.080 0.000 0.912 1097 D CB 0.331 41.156 40.800 0.041 0.000 1.526 1097 D HN -0.064 nan 8.370 nan 0.000 0.505 1098 S N 2.016 117.772 115.700 0.093 0.000 2.441 1098 S HA -0.355 4.115 4.470 0.000 0.000 0.249 1098 S C 1.994 176.592 174.600 -0.004 0.000 1.097 1098 S CA 2.460 60.711 58.200 0.085 0.000 1.080 1098 S CB 0.026 63.263 63.200 0.061 0.000 0.914 1098 S HN 0.611 nan 8.310 nan 0.000 0.464 1099 A N 2.018 124.817 122.820 -0.036 0.000 1.940 1099 A HA -0.140 4.180 4.320 0.000 0.000 0.219 1099 A C 2.125 179.602 177.584 -0.180 0.000 1.176 1099 A CA 1.539 53.529 52.037 -0.079 0.000 0.631 1099 A CB -0.645 18.320 19.000 -0.057 0.000 0.814 1099 A HN 0.578 nan 8.150 nan 0.000 0.446 1100 R N -0.149 120.187 120.500 -0.275 0.000 2.185 1100 R HA -0.195 4.145 4.340 0.000 0.000 0.247 1100 R C 2.300 178.088 176.300 -0.854 0.000 1.159 1100 R CA 1.344 57.118 56.100 -0.543 0.000 0.988 1100 R CB -1.323 28.590 30.300 -0.646 0.000 0.871 1100 R HN 0.580 nan 8.270 nan 0.000 0.458 1101 A N 1.476 123.831 122.820 -0.775 0.000 1.873 1101 A HA -0.301 4.019 4.320 0.000 0.000 0.218 1101 A C 2.325 179.790 177.584 -0.198 0.000 1.193 1101 A CA 2.766 54.536 52.037 -0.445 0.000 0.629 1101 A CB -1.259 17.726 19.000 -0.026 0.000 0.826 1101 A HN 0.541 nan 8.150 nan 0.000 0.447 1102 D N -0.752 119.565 120.400 -0.140 0.000 2.144 1102 D HA -0.183 4.457 4.640 0.000 0.000 0.199 1102 D C 1.742 177.999 176.300 -0.071 0.000 0.984 1102 D CA 1.384 55.342 54.000 -0.069 0.000 0.834 1102 D CB -0.683 40.084 40.800 -0.055 0.000 0.955 1102 D HN 0.555 nan 8.370 nan 0.000 0.465 1103 D N -0.118 120.203 120.400 -0.132 0.000 2.104 1103 D HA -0.072 4.568 4.640 0.000 0.000 0.194 1103 D C 2.633 178.894 176.300 -0.066 0.000 0.994 1103 D CA 1.542 55.476 54.000 -0.111 0.000 0.830 1103 D CB -0.307 40.400 40.800 -0.155 0.000 0.959 1103 D HN 0.438 nan 8.370 nan 0.000 0.452 1104 A N 0.964 123.736 122.820 -0.079 0.000 1.972 1104 A HA -0.180 4.140 4.320 0.000 0.000 0.219 1104 A C 2.182 179.920 177.584 0.256 0.000 1.169 1104 A CA 1.119 53.211 52.037 0.092 0.000 0.635 1104 A CB -0.322 18.803 19.000 0.209 0.000 0.810 1104 A HN 0.133 nan 8.150 nan 0.000 0.446 1105 R N -1.320 119.284 120.500 0.172 0.000 2.093 1105 R HA -0.054 4.286 4.340 0.000 0.000 0.224 1105 R C 2.486 178.892 176.300 0.177 0.000 1.101 1105 R CA 1.179 57.403 56.100 0.207 0.000 0.979 1105 R CB -0.248 30.105 30.300 0.088 0.000 0.877 1105 R HN 0.742 nan 8.270 nan 0.000 0.441 1106 Q N 0.889 120.736 119.800 0.078 0.000 2.050 1106 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 1106 Q C 2.132 178.145 176.000 0.023 0.000 0.980 1106 Q CA 1.406 57.230 55.803 0.035 0.000 0.840 1106 Q CB -0.081 28.651 28.738 -0.009 0.000 0.898 1106 Q HN 0.166 nan 8.270 nan 0.000 0.424 1107 L N 0.287 121.500 121.223 -0.016 0.000 2.010 1107 L HA -0.234 4.106 4.340 0.000 0.000 0.219 1107 L C 1.896 178.675 176.870 -0.151 0.000 1.077 1107 L CA 2.011 56.772 54.840 -0.131 0.000 0.773 1107 L CB -0.921 40.998 42.059 -0.234 0.000 0.892 1107 L HN 0.259 nan 8.230 nan 0.000 0.436 1108 F N -1.162 118.779 119.950 -0.015 0.000 2.202 1108 F HA -0.194 4.333 4.527 0.000 0.000 0.301 1108 F C 2.260 178.051 175.800 -0.015 0.000 1.082 1108 F CA 1.581 59.575 58.000 -0.010 0.000 1.313 1108 F CB -0.862 38.139 39.000 0.001 0.000 1.024 1108 F HN -0.013 nan 8.300 nan 0.000 0.495 1109 V N 0.054 120.056 119.914 0.148 0.000 2.239 1109 V HA -0.275 3.845 4.120 0.000 0.000 0.242 1109 V C 2.370 178.479 176.094 0.025 0.000 1.038 1109 V CA 1.653 63.998 62.300 0.075 0.000 1.002 1109 V CB -0.936 30.917 31.823 0.050 0.000 0.641 1109 V HN 0.227 nan 8.190 nan 0.000 0.449 1110 L N 0.365 121.582 121.223 -0.010 0.000 2.021 1110 L HA -0.275 4.066 4.340 0.000 0.000 0.215 1110 L C 2.770 179.603 176.870 -0.062 0.000 1.074 1110 L CA 1.909 56.720 54.840 -0.048 0.000 0.760 1110 L CB -0.972 41.039 42.059 -0.080 0.000 0.889 1110 L HN 0.397 nan 8.230 nan 0.000 0.433 1111 A N 0.428 123.203 122.820 -0.075 0.000 1.859 1111 A HA -0.236 4.084 4.320 0.000 0.000 0.218 1111 A C 2.426 179.989 177.584 -0.034 0.000 1.209 1111 A CA 2.202 54.190 52.037 -0.082 0.000 0.639 1111 A CB -1.637 17.296 19.000 -0.112 0.000 0.835 1111 A HN 0.467 nan 8.150 nan 0.000 0.450 1112 G N -1.142 107.661 108.800 0.005 0.000 2.485 1112 G HA2 0.017 3.978 3.960 0.000 0.000 0.221 1112 G HA3 0.017 3.978 3.960 0.000 0.000 0.221 1112 G C 1.398 176.305 174.900 0.012 0.000 1.115 1112 G CA 1.459 46.572 45.100 0.022 0.000 0.751 1112 G HN 1.047 nan 8.290 nan 0.000 0.567 1113 A N -0.225 122.596 122.820 0.002 0.000 2.308 1113 A HA 0.748 5.068 4.320 0.000 0.000 0.217 1113 A C 1.471 179.051 177.584 -0.007 0.000 1.216 1113 A CA 0.807 52.846 52.037 0.003 0.000 0.864 1113 A CB -0.100 18.902 19.000 0.004 0.000 0.902 1113 A HN 0.733 nan 8.150 nan 0.000 0.499 1114 A N 0.589 123.390 122.820 -0.032 0.000 2.483 1114 A HA 0.392 4.712 4.320 0.000 0.000 0.238 1114 A C -0.052 177.528 177.584 -0.007 0.000 1.070 1114 A CA 0.029 52.029 52.037 -0.061 0.000 0.770 1114 A CB -0.005 18.931 19.000 -0.108 0.000 1.008 1114 A HN 0.505 nan 8.150 nan 0.000 0.497 1115 E N 1.992 122.206 120.200 0.023 0.000 2.073 1115 E HA 0.200 4.550 4.350 0.000 0.000 0.269 1115 E C -0.672 176.005 176.600 0.128 0.000 0.917 1115 E CA -0.375 56.088 56.400 0.105 0.000 0.757 1115 E CB 0.955 30.771 29.700 0.193 0.000 1.111 1115 E HN 0.738 nan 8.360 nan 0.000 0.410 1116 E N 0.878 121.141 120.200 0.104 0.000 2.508 1116 E HA -0.042 4.308 4.350 0.000 0.000 0.266 1116 E C 1.016 177.739 176.600 0.205 0.000 1.010 1116 E CA 0.897 57.378 56.400 0.135 0.000 0.955 1116 E CB 0.319 30.073 29.700 0.089 0.000 0.946 1116 E HN 0.893 nan 8.360 nan 0.000 0.454 1117 G N 1.759 110.727 108.800 0.279 0.000 2.179 1117 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 1117 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 1117 G C -0.301 174.900 174.900 0.503 0.000 0.977 1117 G CA 0.440 45.719 45.100 0.298 0.000 0.641 1117 G HN 0.468 nan 8.290 nan 0.000 0.533 1118 F N 0.175 120.283 119.950 0.265 0.000 2.604 1118 F HA 0.760 5.287 4.527 0.000 0.000 0.316 1118 F C -0.828 174.878 175.800 -0.158 0.000 1.136 1118 F CA -1.627 56.434 58.000 0.101 0.000 0.989 1118 F CB 1.425 40.455 39.000 0.051 0.000 1.258 1118 F HN 0.132 nan 8.300 nan 0.000 0.451 1119 M N 6.166 125.035 119.600 -1.219 0.000 2.311 1119 M HA 0.442 4.923 4.480 0.000 0.000 0.325 1119 M C -0.555 174.977 176.300 -1.280 0.000 1.061 1119 M CA -0.495 54.053 55.300 -1.254 0.000 0.957 1119 M CB 1.828 33.703 32.600 -1.208 0.000 1.646 1119 M HN 0.868 nan 8.290 nan 0.000 0.434 1120 T N 1.783 115.747 114.554 -0.984 0.000 2.868 1120 T HA 0.489 4.839 4.350 0.000 0.000 0.292 1120 T C 1.040 175.583 174.700 -0.262 0.000 1.028 1120 T CA -0.151 61.656 62.100 -0.489 0.000 1.059 1120 T CB 1.350 70.069 68.868 -0.248 0.000 0.991 1120 T HN 0.770 nan 8.240 nan 0.000 0.531 1121 A N 0.858 123.616 122.820 -0.104 0.000 1.933 1121 A HA -0.046 4.274 4.320 0.000 0.000 0.218 1121 A C 2.252 179.781 177.584 -0.092 0.000 1.175 1121 A CA 1.922 53.912 52.037 -0.079 0.000 0.628 1121 A CB -1.159 17.828 19.000 -0.022 0.000 0.814 1121 A HN 1.030 nan 8.150 nan 0.000 0.444 1122 E N -0.223 119.927 120.200 -0.084 0.000 2.038 1122 E HA -0.211 4.139 4.350 0.000 0.000 0.195 1122 E C 1.784 178.319 176.600 -0.108 0.000 1.000 1122 E CA 1.577 57.930 56.400 -0.078 0.000 0.803 1122 E CB -0.423 29.239 29.700 -0.063 0.000 0.750 1122 E HN 0.377 nan 8.360 nan 0.000 0.448 1123 L N 0.479 121.609 121.223 -0.155 0.000 2.017 1123 L HA -0.028 4.312 4.340 0.000 0.000 0.208 1123 L C 2.276 179.039 176.870 -0.179 0.000 1.073 1123 L CA 2.305 57.036 54.840 -0.181 0.000 0.745 1123 L CB -1.292 40.617 42.059 -0.250 0.000 0.894 1123 L HN 0.243 nan 8.230 nan 0.000 0.432 1124 A N -0.583 122.119 122.820 -0.198 0.000 1.927 1124 A HA -0.204 4.117 4.320 0.000 0.000 0.220 1124 A C 2.337 179.853 177.584 -0.113 0.000 1.185 1124 A CA 2.005 53.939 52.037 -0.172 0.000 0.639 1124 A CB -1.596 17.308 19.000 -0.160 0.000 0.820 1124 A HN 0.550 nan 8.150 nan 0.000 0.451 1125 G N -0.882 107.862 108.800 -0.092 0.000 2.394 1125 G HA2 -0.027 3.933 3.960 0.000 0.000 0.215 1125 G HA3 -0.027 3.933 3.960 0.000 0.000 0.215 1125 G C 1.484 176.348 174.900 -0.059 0.000 1.165 1125 G CA 1.110 46.173 45.100 -0.062 0.000 0.784 1125 G HN 0.361 nan 8.290 nan 0.000 0.535 1126 V N 1.244 121.113 119.914 -0.075 0.000 2.332 1126 V HA -0.198 3.922 4.120 0.000 0.000 0.248 1126 V C 2.725 178.780 176.094 -0.063 0.000 1.055 1126 V CA 1.526 63.782 62.300 -0.073 0.000 1.038 1126 V CB -0.426 31.345 31.823 -0.087 0.000 0.651 1126 V HN 0.383 nan 8.190 nan 0.000 0.450 1127 I N -0.357 120.166 120.570 -0.078 0.000 2.193 1127 I HA -0.215 3.955 4.170 0.000 0.000 0.240 1127 I C 2.598 178.718 176.117 0.006 0.000 1.084 1127 I CA 1.714 62.974 61.300 -0.066 0.000 1.365 1127 I CB -0.360 37.564 38.000 -0.126 0.000 1.064 1127 I HN 0.230 nan 8.210 nan 0.000 0.410 1128 K N 0.867 121.267 120.400 0.001 0.000 2.147 1128 K HA -0.185 4.136 4.320 0.000 0.000 0.205 1128 K C 2.325 178.976 176.600 0.084 0.000 1.049 1128 K CA 1.167 57.496 56.287 0.069 0.000 0.936 1128 K CB 0.022 32.537 32.500 0.025 0.000 0.722 1128 K HN 0.111 nan 8.250 nan 0.000 0.446 1129 R N 0.242 120.760 120.500 0.030 0.000 2.075 1129 R HA -0.035 4.305 4.340 0.000 0.000 0.232 1129 R C 2.256 178.575 176.300 0.032 0.000 1.126 1129 R CA 1.128 57.235 56.100 0.011 0.000 0.963 1129 R CB -0.109 30.176 30.300 -0.025 0.000 0.858 1129 R HN 0.193 nan 8.270 nan 0.000 0.435 1130 L N -0.781 120.474 121.223 0.053 0.000 2.027 1130 L HA -0.195 4.145 4.340 0.000 0.000 0.206 1130 L C 2.346 179.336 176.870 0.200 0.000 1.074 1130 L CA 1.181 56.081 54.840 0.100 0.000 0.745 1130 L CB -0.578 41.537 42.059 0.093 0.000 0.898 1130 L HN 0.468 nan 8.230 nan 0.000 0.433 1131 W N 1.451 122.731 121.300 -0.032 0.000 2.341 1131 W HA -0.257 4.403 4.660 0.000 0.000 0.283 1131 W C 2.363 178.858 176.519 -0.040 0.000 1.215 1131 W CA 1.140 58.451 57.345 -0.056 0.000 1.211 1131 W CB 0.149 29.553 29.460 -0.093 0.000 1.131 1131 W HN 0.120 nan 8.180 nan 0.000 0.552 1132 K N 1.409 121.800 120.400 -0.015 0.000 2.262 1132 K HA -0.100 4.220 4.320 0.000 0.000 0.200 1132 K C -0.315 176.236 176.600 -0.082 0.000 1.049 1132 K CA 0.540 56.752 56.287 -0.126 0.000 0.979 1132 K CB -0.686 31.783 32.500 -0.051 0.000 0.773 1132 K HN -0.055 nan 8.250 nan 0.000 0.474 1133 D N 1.073 121.473 120.400 0.001 0.000 2.586 1133 D HA -0.085 4.555 4.640 0.000 0.000 0.234 1133 D C 1.064 177.380 176.300 0.027 0.000 1.132 1133 D CA 0.471 54.502 54.000 0.052 0.000 0.860 1133 D CB 1.084 41.984 40.800 0.166 0.000 1.159 1133 D HN 0.190 nan 8.370 nan 0.000 0.490 1134 S N 2.075 117.789 115.700 0.022 0.000 2.442 1134 S HA -0.100 4.370 4.470 0.000 0.000 0.236 1134 S C 1.976 176.594 174.600 0.031 0.000 1.007 1134 S CA 0.746 58.948 58.200 0.004 0.000 0.965 1134 S CB -0.355 62.849 63.200 0.005 0.000 0.773 1134 S HN 0.565 nan 8.310 nan 0.000 0.504 1135 G N 1.574 110.420 108.800 0.075 0.000 2.424 1135 G HA2 -0.076 3.884 3.960 0.000 0.000 0.214 1135 G HA3 -0.076 3.884 3.960 0.000 0.000 0.214 1135 G C 1.409 176.346 174.900 0.062 0.000 1.202 1135 G CA 0.760 45.892 45.100 0.053 0.000 0.793 1135 G HN 0.447 nan 8.290 nan 0.000 0.534 1136 V N 0.733 120.730 119.914 0.138 0.000 2.453 1136 V HA -0.224 3.897 4.120 0.000 0.000 0.252 1136 V C 3.002 179.194 176.094 0.162 0.000 1.068 1136 V CA 1.951 64.356 62.300 0.176 0.000 1.070 1136 V CB -0.312 31.663 31.823 0.253 0.000 0.664 1136 V HN 0.326 nan 8.190 nan 0.000 0.461 1137 Q N -0.691 119.146 119.800 0.062 0.000 2.096 1137 Q HA -0.008 4.332 4.340 0.000 0.000 0.197 1137 Q C 2.512 178.591 176.000 0.131 0.000 0.964 1137 Q CA 1.576 57.412 55.803 0.054 0.000 0.838 1137 Q CB -0.586 28.097 28.738 -0.091 0.000 0.906 1137 Q HN 0.636 nan 8.270 nan 0.000 0.444 1138 A N 0.685 123.549 122.820 0.072 0.000 1.892 1138 A HA -0.251 4.069 4.320 0.000 0.000 0.218 1138 A C 2.511 180.148 177.584 0.089 0.000 1.188 1138 A CA 1.830 53.901 52.037 0.055 0.000 0.631 1138 A CB -1.298 17.718 19.000 0.027 0.000 0.822 1138 A HN 0.526 nan 8.150 nan 0.000 0.447 1139 C N -1.649 117.725 119.300 0.123 0.000 2.446 1139 C HA -0.071 4.389 4.460 0.000 0.000 0.277 1139 C C 2.448 177.619 174.990 0.302 0.000 1.275 1139 C CA 1.092 60.219 59.018 0.183 0.000 1.727 1139 C CB -1.588 26.238 27.740 0.144 0.000 2.010 1139 C HN 0.652 nan 8.230 nan 0.000 0.486 1140 F N 2.787 122.847 119.950 0.183 0.000 2.126 1140 F HA -0.081 4.446 4.527 0.000 0.000 0.299 1140 F C 2.064 177.937 175.800 0.121 0.000 1.096 1140 F CA 2.163 60.295 58.000 0.220 0.000 1.255 1140 F CB -0.802 38.332 39.000 0.225 0.000 0.997 1140 F HN 0.264 nan 8.300 nan 0.000 0.479 1141 N N 0.659 119.294 118.700 -0.107 0.000 2.520 1141 N HA -0.091 4.649 4.740 0.000 0.000 0.185 1141 N C 0.962 176.356 175.510 -0.194 0.000 1.068 1141 N CA 0.751 53.653 53.050 -0.247 0.000 0.911 1141 N CB -0.304 38.139 38.487 -0.074 0.000 0.961 1141 N HN 0.441 nan 8.380 nan 0.000 0.446 1142 R N 0.252 120.695 120.500 -0.095 0.000 2.552 1142 R HA 0.142 4.482 4.340 0.000 0.000 0.314 1142 R C 1.520 177.727 176.300 -0.154 0.000 1.041 1142 R CA -0.086 55.975 56.100 -0.065 0.000 1.076 1142 R CB 0.237 30.564 30.300 0.045 0.000 1.290 1142 R HN 0.157 nan 8.270 nan 0.000 0.563 1143 S N 1.222 116.713 115.700 -0.348 0.000 2.419 1143 S HA -0.252 4.218 4.470 0.000 0.000 0.235 1143 S C 1.843 176.004 174.600 -0.732 0.000 1.019 1143 S CA 1.015 58.754 58.200 -0.769 0.000 0.982 1143 S CB -0.219 62.661 63.200 -0.534 0.000 0.789 1143 S HN 0.480 nan 8.310 nan 0.000 0.490 1144 R N 1.355 121.615 120.500 -0.400 0.000 2.341 1144 R HA 0.066 4.406 4.340 0.000 0.000 0.213 1144 R C 1.380 177.547 176.300 -0.222 0.000 1.082 1144 R CA 1.419 57.348 56.100 -0.285 0.000 1.017 1144 R CB -0.618 29.547 30.300 -0.224 0.000 0.860 1144 R HN 0.517 nan 8.270 nan 0.000 0.473 1145 E N -0.083 119.987 120.200 -0.216 0.000 2.479 1145 E HA 0.049 4.399 4.350 0.000 0.000 0.193 1145 E C -0.575 176.098 176.600 0.121 0.000 1.049 1145 E CA 0.154 56.547 56.400 -0.013 0.000 0.870 1145 E CB 0.239 29.996 29.700 0.096 0.000 0.944 1145 E HN 0.503 nan 8.360 nan 0.000 0.492 1146 Y N -2.394 117.905 120.300 -0.002 0.000 2.967 1146 Y HA 0.413 4.963 4.550 0.000 0.000 0.311 1146 Y C -1.076 174.837 175.900 0.020 0.000 1.555 1146 Y CA -1.481 56.628 58.100 0.015 0.000 1.084 1146 Y CB 0.614 39.091 38.460 0.028 0.000 1.508 1146 Y HN -0.386 nan 8.280 nan 0.000 0.457 1147 Q N 1.499 121.438 119.800 0.232 0.000 2.372 1147 Q HA 0.556 4.896 4.340 0.000 0.000 0.259 1147 Q C -1.882 174.225 176.000 0.179 0.000 0.993 1147 Q CA -0.720 55.152 55.803 0.114 0.000 0.854 1147 Q CB 2.357 31.162 28.738 0.111 0.000 1.231 1147 Q HN 0.576 nan 8.270 nan 0.000 0.462 1148 L N 3.897 125.156 121.223 0.061 0.000 2.372 1148 L HA 0.304 4.644 4.340 0.000 0.000 0.274 1148 L C -0.700 176.225 176.870 0.091 0.000 0.988 1148 L CA -0.534 54.384 54.840 0.130 0.000 0.833 1148 L CB 1.411 43.547 42.059 0.128 0.000 1.236 1148 L HN 0.580 nan 8.230 nan 0.000 0.410 1149 N N 1.705 120.468 118.700 0.105 0.000 2.356 1149 N HA -0.079 4.661 4.740 0.000 0.000 0.252 1149 N C -0.026 175.537 175.510 0.087 0.000 1.241 1149 N CA 0.223 53.323 53.050 0.083 0.000 0.861 1149 N CB 0.410 38.948 38.487 0.085 0.000 1.075 1149 N HN 0.504 nan 8.380 nan 0.000 0.461 1150 D N 1.270 121.705 120.400 0.059 0.000 2.396 1150 D HA -0.011 4.629 4.640 0.000 0.000 0.255 1150 D C -0.039 176.281 176.300 0.034 0.000 1.224 1150 D CA 0.452 54.486 54.000 0.056 0.000 0.894 1150 D CB -0.142 40.678 40.800 0.032 0.000 0.939 1150 D HN 0.568 nan 8.370 nan 0.000 0.506 1151 S N -0.897 114.833 115.700 0.050 0.000 2.632 1151 S HA 0.200 4.670 4.470 0.000 0.000 0.237 1151 S C 1.778 176.434 174.600 0.094 0.000 1.037 1151 S CA 0.020 58.220 58.200 0.001 0.000 1.009 1151 S CB 0.886 64.093 63.200 0.013 0.000 0.974 1151 S HN 0.316 nan 8.310 nan 0.000 0.544 1152 A N 2.355 125.244 122.820 0.116 0.000 1.842 1152 A HA -0.013 4.307 4.320 0.000 0.000 0.217 1152 A C 2.334 179.855 177.584 -0.105 0.000 1.206 1152 A CA 1.993 54.055 52.037 0.042 0.000 0.630 1152 A CB -1.395 17.648 19.000 0.072 0.000 0.839 1152 A HN 0.558 nan 8.150 nan 0.000 0.447 1153 A N -1.716 121.099 122.820 -0.010 0.000 1.948 1153 A HA -0.188 4.132 4.320 0.000 0.000 0.220 1153 A C 2.119 179.682 177.584 -0.035 0.000 1.177 1153 A CA 2.033 54.052 52.037 -0.030 0.000 0.636 1153 A CB -0.957 18.221 19.000 0.298 0.000 0.815 1153 A HN 0.860 nan 8.150 nan 0.000 0.449 1154 Y N -0.687 119.531 120.300 -0.137 0.000 2.053 1154 Y HA -0.332 4.218 4.550 0.000 0.000 0.277 1154 Y C 2.230 177.974 175.900 -0.260 0.000 1.159 1154 Y CA 2.353 60.308 58.100 -0.241 0.000 1.125 1154 Y CB -0.666 37.538 38.460 -0.427 0.000 0.969 1154 Y HN 0.377 nan 8.280 nan 0.000 0.492 1155 Y N -0.189 120.041 120.300 -0.116 0.000 2.133 1155 Y HA -0.196 4.354 4.550 0.000 0.000 0.287 1155 Y C 2.536 178.233 175.900 -0.339 0.000 1.134 1155 Y CA 1.546 59.502 58.100 -0.240 0.000 1.133 1155 Y CB -1.011 37.391 38.460 -0.097 0.000 0.987 1155 Y HN 0.116 nan 8.280 nan 0.000 0.502 1156 L N 0.003 121.038 121.223 -0.314 0.000 2.013 1156 L HA -0.303 4.037 4.340 0.000 0.000 0.212 1156 L C 1.848 178.472 176.870 -0.409 0.000 1.073 1156 L CA 1.568 56.002 54.840 -0.677 0.000 0.753 1156 L CB -0.592 40.451 42.059 -1.694 0.000 0.890 1156 L HN 0.307 nan 8.230 nan 0.000 0.432 1157 N N -0.396 118.200 118.700 -0.174 0.000 2.512 1157 N HA -0.119 4.622 4.740 0.000 0.000 0.183 1157 N C 0.480 175.956 175.510 -0.056 0.000 1.073 1157 N CA 0.905 53.995 53.050 0.068 0.000 0.911 1157 N CB -0.085 38.466 38.487 0.106 0.000 0.964 1157 N HN 0.325 nan 8.380 nan 0.000 0.447 1158 D N -0.020 120.284 120.400 -0.160 0.000 2.424 1158 D HA 0.189 4.830 4.640 0.000 0.000 0.220 1158 D C 1.730 177.949 176.300 -0.136 0.000 1.150 1158 D CA -0.224 53.674 54.000 -0.170 0.000 0.831 1158 D CB 0.306 40.928 40.800 -0.297 0.000 0.981 1158 D HN 0.099 nan 8.370 nan 0.000 0.500 1159 L N 0.460 121.612 121.223 -0.118 0.000 1.997 1159 L HA -0.238 4.102 4.340 0.000 0.000 0.216 1159 L C 1.542 178.351 176.870 -0.101 0.000 1.074 1159 L CA 1.357 56.126 54.840 -0.119 0.000 0.763 1159 L CB -0.118 41.882 42.059 -0.098 0.000 0.890 1159 L HN 0.019 nan 8.230 nan 0.000 0.434 1160 D N -0.931 119.432 120.400 -0.062 0.000 2.239 1160 D HA -0.244 4.396 4.640 0.000 0.000 0.202 1160 D C 2.166 178.443 176.300 -0.038 0.000 0.993 1160 D CA 1.230 55.204 54.000 -0.042 0.000 0.874 1160 D CB -0.132 40.656 40.800 -0.020 0.000 0.922 1160 D HN 0.341 nan 8.370 nan 0.000 0.464 1161 R N -0.169 120.296 120.500 -0.058 0.000 2.123 1161 R HA 0.020 4.360 4.340 0.000 0.000 0.209 1161 R C 1.990 178.206 176.300 -0.139 0.000 1.078 1161 R CA 0.089 56.173 56.100 -0.026 0.000 1.028 1161 R CB 0.194 30.499 30.300 0.008 0.000 0.939 1161 R HN -0.026 nan 8.270 nan 0.000 0.463 1162 I N 1.507 121.876 120.570 -0.336 0.000 2.252 1162 I HA -0.097 4.073 4.170 0.000 0.000 0.245 1162 I C 2.363 178.275 176.117 -0.342 0.000 1.102 1162 I CA 1.420 62.259 61.300 -0.767 0.000 1.385 1162 I CB -1.441 36.294 38.000 -0.442 0.000 1.064 1162 I HN 0.214 nan 8.210 nan 0.000 0.414 1163 A N 0.181 122.895 122.820 -0.177 0.000 2.168 1163 A HA -0.102 4.218 4.320 0.000 0.000 0.215 1163 A C 1.274 178.819 177.584 -0.065 0.000 1.152 1163 A CA 0.207 52.136 52.037 -0.180 0.000 0.716 1163 A CB -0.655 18.221 19.000 -0.206 0.000 0.794 1163 A HN 0.488 nan 8.150 nan 0.000 0.465 1164 Q N 0.337 120.154 119.800 0.028 0.000 2.311 1164 Q HA 0.091 4.431 4.340 0.000 0.000 0.272 1164 Q C -1.351 174.769 176.000 0.199 0.000 1.012 1164 Q CA -1.598 54.266 55.803 0.101 0.000 0.891 1164 Q CB 0.787 29.591 28.738 0.110 0.000 1.201 1164 Q HN 0.288 nan 8.270 nan 0.000 0.391 1165 P HA -0.230 nan 4.420 nan 0.000 0.218 1165 P C 0.151 177.575 177.300 0.207 0.000 1.146 1165 P CA 1.660 64.903 63.100 0.239 0.000 0.820 1165 P CB 0.175 31.982 31.700 0.177 0.000 0.778 1166 N N -2.524 116.280 118.700 0.173 0.000 2.336 1166 N HA -0.090 4.650 4.740 0.000 0.000 0.189 1166 N C 0.507 176.113 175.510 0.160 0.000 1.113 1166 N CA -0.630 52.499 53.050 0.132 0.000 0.858 1166 N CB -1.170 37.371 38.487 0.089 0.000 0.970 1166 N HN 0.029 nan 8.380 nan 0.000 0.471 1167 Y N 1.731 122.096 120.300 0.109 0.000 2.904 1167 Y HA 0.055 4.605 4.550 0.000 0.000 0.336 1167 Y C -0.223 175.717 175.900 0.066 0.000 1.263 1167 Y CA -0.134 58.026 58.100 0.100 0.000 1.547 1167 Y CB 0.239 38.797 38.460 0.163 0.000 1.272 1167 Y HN 0.081 nan 8.280 nan 0.000 0.596 1168 I N 9.078 129.169 120.570 -0.798 0.000 2.497 1168 I HA 0.241 4.411 4.170 0.000 0.000 0.284 1168 I C -2.422 173.123 176.117 -0.954 0.000 1.060 1168 I CA -2.159 58.726 61.300 -0.692 0.000 1.071 1168 I CB 1.912 39.750 38.000 -0.270 0.000 1.216 1168 I HN 0.524 nan 8.210 nan 0.000 0.442 1169 P HA -0.003 nan 4.420 nan 0.000 0.264 1169 P C -0.032 177.179 177.300 -0.149 0.000 1.183 1169 P CA 0.203 63.074 63.100 -0.381 0.000 0.763 1169 P CB 0.403 32.029 31.700 -0.123 0.000 0.807 1170 T N -0.424 114.125 114.554 -0.009 0.000 2.912 1170 T HA 0.185 4.535 4.350 0.000 0.000 0.280 1170 T C 1.267 175.961 174.700 -0.010 0.000 0.989 1170 T CA -0.338 61.765 62.100 0.004 0.000 0.995 1170 T CB 0.928 69.826 68.868 0.051 0.000 1.077 1170 T HN 0.231 nan 8.240 nan 0.000 0.531 1171 Q N 0.387 120.180 119.800 -0.011 0.000 2.047 1171 Q HA -0.271 4.069 4.340 0.000 0.000 0.211 1171 Q C 2.360 178.313 176.000 -0.078 0.000 1.005 1171 Q CA 2.687 58.471 55.803 -0.032 0.000 0.866 1171 Q CB -0.729 28.007 28.738 -0.004 0.000 0.938 1171 Q HN 0.838 nan 8.270 nan 0.000 0.414 1172 Q N 0.133 119.915 119.800 -0.029 0.000 2.030 1172 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 1172 Q C 1.583 177.542 176.000 -0.069 0.000 0.986 1172 Q CA 2.283 58.058 55.803 -0.046 0.000 0.843 1172 Q CB -0.532 28.238 28.738 0.054 0.000 0.904 1172 Q HN 0.535 nan 8.270 nan 0.000 0.420 1173 D N -0.896 119.564 120.400 0.099 0.000 2.158 1173 D HA -0.159 4.481 4.640 0.000 0.000 0.197 1173 D C 1.860 178.159 176.300 -0.003 0.000 0.995 1173 D CA 1.531 55.660 54.000 0.215 0.000 0.846 1173 D CB -0.171 40.833 40.800 0.340 0.000 0.941 1173 D HN 0.196 nan 8.370 nan 0.000 0.456 1174 V N 1.000 120.788 119.914 -0.210 0.000 2.307 1174 V HA -0.196 3.924 4.120 0.000 0.000 0.245 1174 V C 2.721 178.481 176.094 -0.557 0.000 1.045 1174 V CA 0.967 62.929 62.300 -0.564 0.000 1.024 1174 V CB -0.476 30.842 31.823 -0.842 0.000 0.651 1174 V HN 0.173 nan 8.190 nan 0.000 0.449 1175 L N -0.339 120.639 121.223 -0.408 0.000 2.081 1175 L HA -0.179 4.161 4.340 0.000 0.000 0.212 1175 L C 2.725 179.414 176.870 -0.302 0.000 1.080 1175 L CA 1.439 56.085 54.840 -0.325 0.000 0.754 1175 L CB -0.438 41.471 42.059 -0.250 0.000 0.893 1175 L HN 0.244 nan 8.230 nan 0.000 0.433 1176 R N -0.197 120.096 120.500 -0.346 0.000 2.276 1176 R HA 0.016 4.356 4.340 0.000 0.000 0.203 1176 R C 1.049 177.294 176.300 -0.092 0.000 1.017 1176 R CA 0.618 56.495 56.100 -0.371 0.000 1.010 1176 R CB -1.091 28.671 30.300 -0.897 0.000 0.900 1176 R HN 0.471 nan 8.270 nan 0.000 0.469 1177 T N 0.242 114.758 114.554 -0.063 0.000 2.734 1177 T HA 0.186 4.536 4.350 0.000 0.000 0.314 1177 T C 0.240 174.924 174.700 -0.026 0.000 1.057 1177 T CA -0.388 61.708 62.100 -0.007 0.000 1.047 1177 T CB 0.791 69.556 68.868 -0.171 0.000 0.991 1177 T HN 0.192 nan 8.240 nan 0.000 0.540 1178 R N 1.020 121.530 120.500 0.017 0.000 2.521 1178 R HA 0.571 4.912 4.340 0.000 0.000 0.295 1178 R C -0.210 176.114 176.300 0.040 0.000 1.183 1178 R CA -0.878 55.236 56.100 0.023 0.000 0.957 1178 R CB 1.382 31.706 30.300 0.040 0.000 1.171 1178 R HN 0.658 nan 8.270 nan 0.000 0.494 1179 V N -0.762 119.182 119.914 0.051 0.000 3.488 1179 V HA 0.515 4.635 4.120 0.000 0.000 0.291 1179 V C 0.029 176.159 176.094 0.059 0.000 1.163 1179 V CA -1.213 61.132 62.300 0.074 0.000 0.971 1179 V CB 0.744 32.641 31.823 0.123 0.000 1.245 1179 V HN 0.488 nan 8.190 nan 0.000 0.456 1180 K N 1.647 122.084 120.400 0.061 0.000 2.316 1180 K HA 0.375 4.695 4.320 0.000 0.000 0.289 1180 K C 0.175 176.803 176.600 0.047 0.000 1.070 1180 K CA 0.442 56.759 56.287 0.049 0.000 0.928 1180 K CB 0.587 33.113 32.500 0.043 0.000 1.039 1180 K HN 0.882 nan 8.250 nan 0.000 0.480 1181 T N -0.625 113.954 114.554 0.042 0.000 3.783 1181 T HA 0.031 4.381 4.350 0.000 0.000 0.262 1181 T C 0.332 175.051 174.700 0.030 0.000 1.381 1181 T CA -0.942 61.181 62.100 0.038 0.000 1.155 1181 T CB -0.887 68.004 68.868 0.039 0.000 1.256 1181 T HN 0.536 nan 8.240 nan 0.000 0.807 1182 T N -0.465 114.106 114.554 0.028 0.000 2.856 1182 T HA 0.618 4.968 4.350 0.000 0.000 0.292 1182 T C 1.084 175.791 174.700 0.012 0.000 0.980 1182 T CA -0.056 62.056 62.100 0.020 0.000 1.091 1182 T CB 0.907 69.787 68.868 0.022 0.000 0.936 1182 T HN 1.183 nan 8.240 nan 0.000 0.503 1183 G N 2.683 111.481 108.800 -0.002 0.000 2.601 1183 G HA2 -0.181 3.779 3.960 0.000 0.000 0.252 1183 G HA3 -0.181 3.779 3.960 0.000 0.000 0.252 1183 G C -0.418 174.464 174.900 -0.029 0.000 1.294 1183 G CA -0.227 44.863 45.100 -0.017 0.000 0.912 1183 G HN 1.059 nan 8.290 nan 0.000 0.574 1184 I N 0.502 121.058 120.570 -0.023 0.000 2.336 1184 I HA 0.406 4.576 4.170 0.000 0.000 0.292 1184 I C 0.678 176.823 176.117 0.047 0.000 0.991 1184 I CA -0.923 60.369 61.300 -0.013 0.000 1.227 1184 I CB 1.560 39.547 38.000 -0.023 0.000 1.366 1184 I HN 0.370 nan 8.210 nan 0.000 0.466 1185 V N 5.858 125.798 119.914 0.044 0.000 2.649 1185 V HA 0.329 4.450 4.120 0.000 0.000 0.292 1185 V C 0.057 176.172 176.094 0.036 0.000 1.055 1185 V CA -0.223 62.104 62.300 0.044 0.000 1.023 1185 V CB 1.299 33.143 31.823 0.036 0.000 0.992 1185 V HN 0.839 nan 8.190 nan 0.000 0.480 1186 E N 2.548 122.739 120.200 -0.016 0.000 2.372 1186 E HA 0.677 5.027 4.350 0.000 0.000 0.279 1186 E C -1.223 175.277 176.600 -0.166 0.000 0.946 1186 E CA -0.605 55.687 56.400 -0.180 0.000 0.769 1186 E CB 2.512 32.042 29.700 -0.283 0.000 1.230 1186 E HN 0.814 nan 8.360 nan 0.000 0.442 1187 T N 0.361 114.744 114.554 -0.285 0.000 2.909 1187 T HA 0.590 4.940 4.350 0.000 0.000 0.299 1187 T C -1.094 173.437 174.700 -0.283 0.000 1.073 1187 T CA -0.876 61.160 62.100 -0.107 0.000 0.999 1187 T CB 1.216 70.109 68.868 0.043 0.000 1.098 1187 T HN 0.482 nan 8.240 nan 0.000 0.477 1188 H N 1.055 120.159 119.070 0.057 0.000 2.572 1188 H HA 0.807 5.363 4.556 0.000 0.000 0.359 1188 H C -0.707 174.741 175.328 0.199 0.000 1.134 1188 H CA -0.929 55.129 56.048 0.016 0.000 1.187 1188 H CB 1.529 31.272 29.762 -0.031 0.000 1.597 1188 H HN 0.841 nan 8.280 nan 0.000 0.524 1189 F N -1.910 118.179 119.950 0.232 0.000 2.708 1189 F HA 0.549 5.076 4.527 0.000 0.000 0.309 1189 F C -1.206 174.792 175.800 0.331 0.000 1.120 1189 F CA -0.914 57.213 58.000 0.211 0.000 0.978 1189 F CB 0.862 39.924 39.000 0.103 0.000 1.283 1189 F HN 0.367 nan 8.300 nan 0.000 0.439 1190 T N 3.218 118.045 114.554 0.455 0.000 2.875 1190 T HA 0.679 5.029 4.350 0.000 0.000 0.284 1190 T C -1.840 173.161 174.700 0.502 0.000 0.995 1190 T CA -0.144 62.164 62.100 0.347 0.000 1.060 1190 T CB 1.025 70.007 68.868 0.189 0.000 0.967 1190 T HN 0.623 nan 8.240 nan 0.000 0.476 1191 F N 2.744 122.843 119.950 0.249 0.000 2.639 1191 F HA 0.317 4.844 4.527 0.000 0.000 0.326 1191 F C -0.442 175.460 175.800 0.170 0.000 1.150 1191 F CA -1.408 56.693 58.000 0.168 0.000 1.057 1191 F CB 0.929 39.926 39.000 -0.004 0.000 1.300 1191 F HN 0.629 nan 8.300 nan 0.000 0.486 1192 K N 5.423 125.553 120.400 -0.449 0.000 3.278 1192 K HA -0.220 4.100 4.320 0.000 0.000 0.270 1192 K C -0.409 176.057 176.600 -0.224 0.000 0.955 1192 K CA 1.234 57.256 56.287 -0.441 0.000 0.723 1192 K CB -1.107 30.972 32.500 -0.702 0.000 1.382 1192 K HN 0.849 nan 8.250 nan 0.000 0.461 1193 D N -1.195 119.113 120.400 -0.153 0.000 2.837 1193 D HA -0.224 4.416 4.640 0.000 0.000 0.230 1193 D C -0.164 175.985 176.300 -0.252 0.000 1.152 1193 D CA 1.382 55.276 54.000 -0.176 0.000 0.736 1193 D CB -0.770 39.946 40.800 -0.141 0.000 1.084 1193 D HN 0.408 nan 8.370 nan 0.000 0.429 1194 L N -0.018 121.054 121.223 -0.252 0.000 2.354 1194 L HA 0.381 4.721 4.340 0.000 0.000 0.269 1194 L C 0.273 176.883 176.870 -0.434 0.000 1.005 1194 L CA -0.846 53.757 54.840 -0.395 0.000 0.819 1194 L CB 2.164 43.910 42.059 -0.521 0.000 1.311 1194 L HN -0.046 nan 8.230 nan 0.000 0.423 1195 H N 2.497 121.371 119.070 -0.327 0.000 2.623 1195 H HA 0.349 4.905 4.556 0.000 0.000 0.299 1195 H C -0.998 174.094 175.328 -0.394 0.000 1.052 1195 H CA -0.357 55.558 56.048 -0.222 0.000 1.231 1195 H CB 0.804 30.490 29.762 -0.127 0.000 1.389 1195 H HN 0.227 nan 8.280 nan 0.000 0.469 1196 F N 1.621 121.396 119.950 -0.292 0.000 2.394 1196 F HA 0.422 4.949 4.527 0.000 0.000 0.340 1196 F C 0.960 176.450 175.800 -0.518 0.000 1.105 1196 F CA -0.553 57.124 58.000 -0.537 0.000 1.124 1196 F CB 1.030 39.291 39.000 -1.232 0.000 1.145 1196 F HN 0.390 nan 8.300 nan 0.000 0.505 1197 K N 4.349 124.634 120.400 -0.193 0.000 2.507 1197 K HA 0.605 4.925 4.320 0.000 0.000 0.253 1197 K C -1.136 175.235 176.600 -0.381 0.000 0.969 1197 K CA -0.592 55.444 56.287 -0.419 0.000 0.908 1197 K CB 1.448 33.758 32.500 -0.318 0.000 1.127 1197 K HN 0.854 nan 8.250 nan 0.000 0.437 1198 M N 3.449 122.805 119.600 -0.406 0.000 2.101 1198 M HA 0.649 5.130 4.480 0.000 0.000 0.340 1198 M C -1.614 174.496 176.300 -0.317 0.000 1.057 1198 M CA -0.845 54.349 55.300 -0.176 0.000 0.984 1198 M CB 0.259 32.888 32.600 0.047 0.000 1.560 1198 M HN 0.575 nan 8.290 nan 0.000 0.435 1199 F N 2.594 122.536 119.950 -0.014 0.000 2.422 1199 F HA 0.464 4.991 4.527 0.000 0.000 0.333 1199 F C -0.090 175.692 175.800 -0.030 0.000 1.095 1199 F CA -0.432 57.544 58.000 -0.041 0.000 1.038 1199 F CB 1.314 40.280 39.000 -0.056 0.000 1.156 1199 F HN 0.452 nan 8.300 nan 0.000 0.483 1200 D N 2.077 122.570 120.400 0.155 0.000 2.478 1200 D HA 0.451 5.091 4.640 0.000 0.000 0.240 1200 D C -0.648 175.662 176.300 0.016 0.000 1.364 1200 D CA -0.244 53.800 54.000 0.074 0.000 0.987 1200 D CB 1.286 42.117 40.800 0.052 0.000 1.328 1200 D HN 0.179 nan 8.370 nan 0.000 0.584 1201 V N 2.174 122.063 119.914 -0.042 0.000 5.633 1201 V HA 0.820 4.940 4.120 0.000 0.000 0.273 1201 V C 1.040 177.151 176.094 0.028 0.000 1.423 1201 V CA 0.198 62.426 62.300 -0.120 0.000 0.638 1201 V CB -0.040 31.515 31.823 -0.447 0.000 1.323 1201 V HN 1.025 nan 8.190 nan 0.000 0.370 1202 G N -0.957 107.912 108.800 0.115 0.000 3.081 1202 G HA2 0.426 4.386 3.960 0.000 0.000 0.603 1202 G HA3 0.426 4.386 3.960 0.000 0.000 0.603 1202 G C 0.615 175.574 174.900 0.099 0.000 1.106 1202 G CA 0.102 45.286 45.100 0.140 0.000 1.001 1202 G HN 1.968 nan 8.290 nan 0.000 0.445 1203 G N 0.858 109.729 108.800 0.119 0.000 2.561 1203 G HA2 -0.138 3.822 3.960 0.000 0.000 0.203 1203 G HA3 -0.138 3.822 3.960 0.000 0.000 0.203 1203 G C 0.416 175.370 174.900 0.090 0.000 1.101 1203 G CA 0.566 45.719 45.100 0.089 0.000 0.711 1203 G HN 1.310 nan 8.290 nan 0.000 0.511 1204 Q N 1.603 121.447 119.800 0.074 0.000 2.263 1204 Q HA 0.284 4.624 4.340 0.000 0.000 0.270 1204 Q C 1.084 177.155 176.000 0.118 0.000 1.104 1204 Q CA 0.114 55.948 55.803 0.052 0.000 0.909 1204 Q CB 0.470 29.193 28.738 -0.025 0.000 1.214 1204 Q HN 0.616 nan 8.270 nan 0.000 0.400 1205 R N 1.259 121.830 120.500 0.119 0.000 2.514 1205 R HA 0.030 4.371 4.340 0.000 0.000 0.216 1205 R C 0.196 176.615 176.300 0.198 0.000 1.295 1205 R CA -0.071 56.130 56.100 0.169 0.000 1.246 1205 R CB -0.251 30.118 30.300 0.115 0.000 1.057 1205 R HN 0.446 nan 8.270 nan 0.000 0.490 1206 S N 2.031 117.819 115.700 0.146 0.000 3.116 1206 S HA -0.162 4.308 4.470 0.000 0.000 0.373 1206 S C 0.434 175.172 174.600 0.230 0.000 1.193 1206 S CA 0.645 58.870 58.200 0.042 0.000 0.972 1206 S CB 0.222 63.205 63.200 -0.361 0.000 0.671 1206 S HN 0.323 nan 8.310 nan 0.000 0.488 1207 E N 1.565 121.839 120.200 0.124 0.000 2.342 1207 E HA 0.190 4.540 4.350 0.000 0.000 0.257 1207 E C 1.397 178.124 176.600 0.213 0.000 1.150 1207 E CA -0.858 55.636 56.400 0.156 0.000 0.926 1207 E CB 0.498 30.237 29.700 0.065 0.000 1.074 1207 E HN 0.586 nan 8.360 nan 0.000 0.449 1208 R N 1.179 121.783 120.500 0.173 0.000 2.165 1208 R HA -0.284 4.056 4.340 0.000 0.000 0.254 1208 R C 1.624 177.995 176.300 0.119 0.000 1.153 1208 R CA 2.200 58.399 56.100 0.165 0.000 0.971 1208 R CB -0.020 30.326 30.300 0.077 0.000 0.878 1208 R HN 0.409 nan 8.270 nan 0.000 0.449 1209 K N 0.124 120.524 120.400 0.000 0.000 1.978 1209 K HA -0.157 4.163 4.320 0.000 0.000 0.214 1209 K C 2.138 178.578 176.600 -0.267 0.000 1.049 1209 K CA 1.636 57.824 56.287 -0.166 0.000 0.939 1209 K CB -0.177 32.187 32.500 -0.227 0.000 0.721 1209 K HN 0.049 nan 8.250 nan 0.000 0.441 1210 K N 0.612 120.880 120.400 -0.220 0.000 2.032 1210 K HA -0.214 4.106 4.320 0.000 0.000 0.218 1210 K C 1.999 178.459 176.600 -0.234 0.000 1.054 1210 K CA 1.817 57.939 56.287 -0.274 0.000 0.941 1210 K CB -0.829 31.480 32.500 -0.319 0.000 0.720 1210 K HN 0.345 nan 8.250 nan 0.000 0.449 1211 W N 1.303 122.540 121.300 -0.105 0.000 2.318 1211 W HA -0.178 4.482 4.660 0.000 0.000 0.313 1211 W C 2.173 178.671 176.519 -0.034 0.000 1.221 1211 W CA 0.410 57.670 57.345 -0.142 0.000 1.266 1211 W CB -0.311 29.159 29.460 0.018 0.000 1.150 1211 W HN 0.008 nan 8.180 nan 0.000 0.496 1212 I N -0.409 120.392 120.570 0.386 0.000 2.163 1212 I HA -0.337 3.833 4.170 0.000 0.000 0.243 1212 I C 2.085 178.469 176.117 0.445 0.000 1.085 1212 I CA 1.942 63.558 61.300 0.527 0.000 1.347 1212 I CB -1.888 36.350 38.000 0.396 0.000 1.044 1212 I HN 0.259 nan 8.210 nan 0.000 0.408 1213 H N -0.763 118.361 119.070 0.090 0.000 2.421 1213 H HA -0.151 4.405 4.556 0.000 0.000 0.298 1213 H C 2.439 177.681 175.328 -0.144 0.000 1.087 1213 H CA 1.262 57.297 56.048 -0.021 0.000 1.330 1213 H CB 0.195 29.911 29.762 -0.076 0.000 1.388 1213 H HN 0.351 nan 8.280 nan 0.000 0.526 1214 C N 0.043 119.267 119.300 -0.125 0.000 2.435 1214 C HA -0.102 4.358 4.460 0.000 0.000 0.279 1214 C C 2.395 177.278 174.990 -0.179 0.000 1.321 1214 C CA 0.680 59.479 59.018 -0.365 0.000 1.752 1214 C CB -1.094 26.307 27.740 -0.565 0.000 1.959 1214 C HN 0.486 nan 8.230 nan 0.000 0.500 1215 F N 0.413 120.478 119.950 0.191 0.000 2.615 1215 F HA 0.051 4.578 4.527 0.000 0.000 0.297 1215 F C 1.256 177.041 175.800 -0.025 0.000 1.124 1215 F CA 0.104 58.218 58.000 0.190 0.000 1.451 1215 F CB -0.145 39.077 39.000 0.370 0.000 1.103 1215 F HN 0.139 nan 8.300 nan 0.000 0.569 1216 E N 1.443 121.725 120.200 0.136 0.000 2.493 1216 E HA -0.009 4.341 4.350 0.000 0.000 0.255 1216 E C 0.913 177.505 176.600 -0.014 0.000 0.999 1216 E CA 0.548 56.953 56.400 0.009 0.000 0.934 1216 E CB 0.174 29.886 29.700 0.019 0.000 0.940 1216 E HN 0.403 nan 8.360 nan 0.000 0.473 1217 G N 2.802 111.569 108.800 -0.056 0.000 2.332 1217 G HA2 -0.227 3.734 3.960 0.000 0.000 0.277 1217 G HA3 -0.227 3.734 3.960 0.000 0.000 0.277 1217 G C 0.377 175.293 174.900 0.028 0.000 0.884 1217 G CA 0.655 45.740 45.100 -0.025 0.000 1.251 1217 G HN 0.461 nan 8.290 nan 0.000 0.462 1218 V N -1.331 118.622 119.914 0.066 0.000 2.532 1218 V HA 0.725 4.845 4.120 0.000 0.000 0.295 1218 V C 1.318 177.472 176.094 0.100 0.000 1.041 1218 V CA 0.227 62.595 62.300 0.113 0.000 0.926 1218 V CB 1.401 33.329 31.823 0.174 0.000 0.992 1218 V HN 0.293 nan 8.190 nan 0.000 0.457 1219 T N 3.025 117.640 114.554 0.101 0.000 2.622 1219 T HA 0.169 4.519 4.350 0.000 0.000 0.266 1219 T C 0.745 175.509 174.700 0.108 0.000 1.047 1219 T CA 2.163 64.315 62.100 0.087 0.000 1.159 1219 T CB -0.130 68.788 68.868 0.083 0.000 0.863 1219 T HN 1.449 nan 8.240 nan 0.000 0.422 1220 A N -0.298 122.602 122.820 0.134 0.000 2.572 1220 A HA 0.698 5.018 4.320 0.000 0.000 0.295 1220 A C -1.405 176.263 177.584 0.140 0.000 1.072 1220 A CA -0.747 51.370 52.037 0.133 0.000 0.691 1220 A CB 1.175 20.257 19.000 0.136 0.000 1.291 1220 A HN 0.336 nan 8.150 nan 0.000 0.404 1221 I N 2.309 122.954 120.570 0.124 0.000 2.307 1221 I HA 0.265 4.436 4.170 0.000 0.000 0.289 1221 I C -0.576 175.602 176.117 0.102 0.000 1.021 1221 I CA -0.181 61.202 61.300 0.139 0.000 1.224 1221 I CB 1.003 39.078 38.000 0.125 0.000 1.376 1221 I HN 0.471 nan 8.210 nan 0.000 0.470 1222 I N 7.077 127.662 120.570 0.024 0.000 2.278 1222 I HA 0.101 4.271 4.170 0.000 0.000 0.296 1222 I C -0.148 175.913 176.117 -0.095 0.000 1.121 1222 I CA -0.251 60.940 61.300 -0.183 0.000 1.267 1222 I CB 0.026 37.757 38.000 -0.448 0.000 1.447 1222 I HN 0.414 nan 8.210 nan 0.000 0.509 1223 F N 6.363 126.254 119.950 -0.099 0.000 2.467 1223 F HA 0.220 4.747 4.527 0.000 0.000 0.362 1223 F C 0.330 176.096 175.800 -0.056 0.000 1.090 1223 F CA -0.101 57.894 58.000 -0.009 0.000 1.202 1223 F CB 0.435 39.507 39.000 0.120 0.000 1.113 1223 F HN 0.376 nan 8.300 nan 0.000 0.541 1224 C N 5.931 124.985 119.300 -0.410 0.000 2.329 1224 C HA 0.748 5.208 4.460 0.000 0.000 0.329 1224 C C -0.372 174.452 174.990 -0.277 0.000 1.275 1224 C CA -1.004 57.890 59.018 -0.207 0.000 1.726 1224 C CB 0.630 28.303 27.740 -0.112 0.000 2.291 1224 C HN 0.558 nan 8.230 nan 0.000 0.514 1225 V N 2.737 122.554 119.914 -0.162 0.000 2.588 1225 V HA 0.691 4.811 4.120 0.000 0.000 0.304 1225 V C 0.187 176.233 176.094 -0.080 0.000 1.042 1225 V CA -0.403 61.813 62.300 -0.141 0.000 0.877 1225 V CB 1.860 33.476 31.823 -0.345 0.000 0.996 1225 V HN 1.017 nan 8.190 nan 0.000 0.425 1226 A N 4.539 127.356 122.820 -0.005 0.000 2.316 1226 A HA 0.564 4.884 4.320 0.000 0.000 0.311 1226 A C 0.934 178.557 177.584 0.066 0.000 1.339 1226 A CA -0.280 51.776 52.037 0.031 0.000 0.960 1226 A CB 0.098 19.130 19.000 0.054 0.000 1.152 1226 A HN 0.927 nan 8.150 nan 0.000 0.547 1227 L N 2.450 123.689 121.223 0.027 0.000 2.042 1227 L HA -0.206 4.134 4.340 0.000 0.000 0.210 1227 L C 2.715 179.789 176.870 0.340 0.000 1.076 1227 L CA 1.935 56.768 54.840 -0.011 0.000 0.749 1227 L CB -0.247 41.639 42.059 -0.289 0.000 0.893 1227 L HN 0.871 nan 8.230 nan 0.000 0.432 1228 S N -1.759 114.174 115.700 0.390 0.000 2.547 1228 S HA -0.135 4.335 4.470 0.000 0.000 0.235 1228 S C 1.255 176.012 174.600 0.261 0.000 0.980 1228 S CA 0.815 59.297 58.200 0.469 0.000 0.941 1228 S CB -0.372 62.999 63.200 0.285 0.000 0.763 1228 S HN 0.365 nan 8.310 nan 0.000 0.532 1229 D N 1.376 121.901 120.400 0.208 0.000 2.363 1229 D HA 0.001 4.641 4.640 0.000 0.000 0.220 1229 D C 1.449 177.784 176.300 0.058 0.000 0.994 1229 D CA 0.524 54.578 54.000 0.090 0.000 0.890 1229 D CB -0.411 40.445 40.800 0.094 0.000 0.906 1229 D HN 0.797 nan 8.370 nan 0.000 0.530 1230 Y N 1.322 121.695 120.300 0.122 0.000 2.315 1230 Y HA -0.164 4.387 4.550 0.000 0.000 0.288 1230 Y C 1.208 177.140 175.900 0.052 0.000 1.154 1230 Y CA 1.327 59.484 58.100 0.094 0.000 1.229 1230 Y CB -0.570 38.009 38.460 0.197 0.000 0.980 1230 Y HN -0.101 nan 8.280 nan 0.000 0.540 1231 D N 0.307 120.156 120.400 -0.918 0.000 2.368 1231 D HA 0.076 4.716 4.640 0.000 0.000 0.218 1231 D C -0.103 176.004 176.300 -0.320 0.000 1.112 1231 D CA -0.148 53.448 54.000 -0.673 0.000 0.834 1231 D CB -0.593 39.667 40.800 -0.900 0.000 0.953 1231 D HN 0.415 nan 8.370 nan 0.000 0.505 1232 L N 1.210 122.302 121.223 -0.218 0.000 2.331 1232 L HA 0.225 4.565 4.340 0.000 0.000 0.278 1232 L C 0.425 177.243 176.870 -0.086 0.000 1.106 1232 L CA -0.858 53.900 54.840 -0.136 0.000 0.824 1232 L CB 1.860 43.865 42.059 -0.089 0.000 1.142 1232 L HN -0.212 nan 8.230 nan 0.000 0.443 1233 V N 4.760 124.630 119.914 -0.072 0.000 2.673 1233 V HA -0.038 4.082 4.120 0.000 0.000 0.303 1233 V C 0.597 176.680 176.094 -0.019 0.000 1.046 1233 V CA -0.270 62.008 62.300 -0.038 0.000 1.126 1233 V CB 0.938 32.749 31.823 -0.020 0.000 0.934 1233 V HN 0.546 nan 8.190 nan 0.000 0.487 1234 L N 3.995 125.210 121.223 -0.013 0.000 2.467 1234 L HA 0.643 4.983 4.340 0.000 0.000 0.270 1234 L C 0.577 177.455 176.870 0.012 0.000 1.205 1234 L CA -0.369 54.471 54.840 -0.000 0.000 0.828 1234 L CB 0.279 42.334 42.059 -0.007 0.000 1.101 1234 L HN 0.653 nan 8.230 nan 0.000 0.479 1235 A N 1.622 124.455 122.820 0.021 0.000 2.448 1235 A HA 0.063 4.383 4.320 0.000 0.000 0.239 1235 A C 0.917 178.515 177.584 0.024 0.000 1.080 1235 A CA 0.019 52.074 52.037 0.030 0.000 0.779 1235 A CB 0.277 19.298 19.000 0.036 0.000 1.026 1235 A HN 0.940 nan 8.150 nan 0.000 0.499 1236 E N -0.411 119.805 120.200 0.027 0.000 2.515 1236 E HA -0.114 4.236 4.350 0.000 0.000 0.201 1236 E C 0.679 177.290 176.600 0.019 0.000 1.071 1236 E CA 1.519 57.931 56.400 0.021 0.000 0.880 1236 E CB 0.036 29.750 29.700 0.022 0.000 0.828 1236 E HN 0.739 nan 8.360 nan 0.000 0.540 1237 D N -0.908 119.505 120.400 0.022 0.000 2.469 1237 D HA 0.037 4.677 4.640 0.000 0.000 0.213 1237 D C -0.346 175.967 176.300 0.021 0.000 1.135 1237 D CA -0.056 53.956 54.000 0.021 0.000 0.834 1237 D CB 0.367 41.183 40.800 0.026 0.000 1.009 1237 D HN 0.110 nan 8.370 nan 0.000 0.507 1238 E N 0.162 120.374 120.200 0.019 0.000 2.250 1238 E HA 0.236 4.586 4.350 0.000 0.000 0.269 1238 E C 0.475 177.080 176.600 0.008 0.000 1.018 1238 E CA -0.369 56.042 56.400 0.018 0.000 0.873 1238 E CB 1.394 31.107 29.700 0.021 0.000 1.134 1238 E HN 0.329 nan 8.360 nan 0.000 0.403 1239 E N 1.719 121.923 120.200 0.006 0.000 2.498 1239 E HA 0.092 4.442 4.350 0.000 0.000 0.203 1239 E C 0.349 176.936 176.600 -0.021 0.000 1.013 1239 E CA 0.081 56.478 56.400 -0.005 0.000 0.927 1239 E CB 0.252 29.952 29.700 -0.000 0.000 1.012 1239 E HN 0.486 nan 8.360 nan 0.000 0.482 1240 M N 0.236 119.826 119.600 -0.018 0.000 2.682 1240 M HA 0.361 4.841 4.480 0.000 0.000 0.272 1240 M C -1.513 174.778 176.300 -0.014 0.000 1.232 1240 M CA -1.088 54.182 55.300 -0.050 0.000 0.849 1240 M CB 1.576 34.159 32.600 -0.029 0.000 1.695 1240 M HN -0.011 nan 8.290 nan 0.000 0.481 1241 N N 0.939 119.624 118.700 -0.025 0.000 2.424 1241 N HA 0.298 5.038 4.740 0.000 0.000 0.257 1241 N C 0.047 175.609 175.510 0.086 0.000 1.250 1241 N CA -0.722 52.345 53.050 0.027 0.000 0.946 1241 N CB 1.410 39.905 38.487 0.013 0.000 1.175 1241 N HN 0.743 nan 8.380 nan 0.000 0.477 1242 R N -0.415 120.128 120.500 0.072 0.000 2.103 1242 R HA -0.193 4.147 4.340 0.000 0.000 0.242 1242 R C 2.093 178.465 176.300 0.120 0.000 1.142 1242 R CA 1.872 58.026 56.100 0.090 0.000 0.960 1242 R CB -0.417 29.926 30.300 0.071 0.000 0.858 1242 R HN 0.646 nan 8.270 nan 0.000 0.439 1243 M N -0.182 119.487 119.600 0.115 0.000 2.149 1243 M HA -0.172 4.308 4.480 0.000 0.000 0.261 1243 M C 1.458 177.757 176.300 -0.002 0.000 1.064 1243 M CA 1.898 57.259 55.300 0.102 0.000 1.102 1243 M CB -0.227 32.394 32.600 0.035 0.000 1.369 1243 M HN 0.134 nan 8.290 nan 0.000 0.408 1244 H N -0.683 118.370 119.070 -0.028 0.000 2.462 1244 H HA 0.027 4.584 4.556 0.000 0.000 0.292 1244 H C 1.965 177.294 175.328 0.001 0.000 1.049 1244 H CA 1.604 57.625 56.048 -0.044 0.000 1.334 1244 H CB -0.058 29.676 29.762 -0.045 0.000 1.404 1244 H HN 0.540 nan 8.280 nan 0.000 0.544 1245 E N -0.246 120.041 120.200 0.146 0.000 2.051 1245 E HA -0.189 4.161 4.350 0.000 0.000 0.192 1245 E C 2.310 179.007 176.600 0.161 0.000 0.991 1245 E CA 1.181 57.657 56.400 0.127 0.000 0.799 1245 E CB -0.039 29.729 29.700 0.114 0.000 0.748 1245 E HN 0.253 nan 8.360 nan 0.000 0.449 1246 S N 0.152 115.977 115.700 0.209 0.000 2.368 1246 S HA -0.172 4.298 4.470 0.000 0.000 0.225 1246 S C 2.002 176.833 174.600 0.385 0.000 1.030 1246 S CA 1.161 59.595 58.200 0.391 0.000 0.999 1246 S CB -0.071 63.426 63.200 0.495 0.000 0.844 1246 S HN 0.170 nan 8.310 nan 0.000 0.459 1247 M N 0.718 120.287 119.600 -0.051 0.000 2.117 1247 M HA -0.118 4.362 4.480 0.000 0.000 0.262 1247 M C 2.330 178.597 176.300 -0.056 0.000 1.065 1247 M CA 1.645 56.694 55.300 -0.419 0.000 1.114 1247 M CB -0.323 31.882 32.600 -0.659 0.000 1.361 1247 M HN 0.277 nan 8.290 nan 0.000 0.408 1248 K N 0.568 120.977 120.400 0.016 0.000 2.032 1248 K HA -0.218 4.102 4.320 0.000 0.000 0.209 1248 K C 1.895 178.529 176.600 0.057 0.000 1.048 1248 K CA 1.380 57.690 56.287 0.038 0.000 0.927 1248 K CB -0.210 32.323 32.500 0.055 0.000 0.712 1248 K HN 0.148 nan 8.250 nan 0.000 0.441 1249 L N 0.586 121.891 121.223 0.137 0.000 2.017 1249 L HA -0.116 4.224 4.340 0.000 0.000 0.208 1249 L C 2.051 178.954 176.870 0.054 0.000 1.073 1249 L CA 1.613 56.546 54.840 0.156 0.000 0.745 1249 L CB -0.731 41.526 42.059 0.330 0.000 0.894 1249 L HN 0.228 nan 8.230 nan 0.000 0.432 1250 F N 0.528 120.404 119.950 -0.123 0.000 2.161 1250 F HA -0.240 4.287 4.527 0.000 0.000 0.300 1250 F C 2.217 177.855 175.800 -0.270 0.000 1.089 1250 F CA 1.992 59.705 58.000 -0.479 0.000 1.282 1250 F CB -0.437 38.361 39.000 -0.338 0.000 1.010 1250 F HN 0.307 nan 8.300 nan 0.000 0.485 1251 D N -0.698 119.622 120.400 -0.133 0.000 2.144 1251 D HA -0.135 4.505 4.640 0.000 0.000 0.200 1251 D C 2.196 178.372 176.300 -0.206 0.000 0.978 1251 D CA 1.537 55.433 54.000 -0.173 0.000 0.833 1251 D CB -0.071 40.691 40.800 -0.064 0.000 0.961 1251 D HN 0.285 nan 8.370 nan 0.000 0.470 1252 S N -0.164 115.444 115.700 -0.153 0.000 2.345 1252 S HA -0.061 4.409 4.470 0.000 0.000 0.219 1252 S C 1.996 176.506 174.600 -0.150 0.000 1.031 1252 S CA 0.431 58.566 58.200 -0.108 0.000 0.984 1252 S CB -0.076 63.093 63.200 -0.052 0.000 0.874 1252 S HN 0.266 nan 8.310 nan 0.000 0.451 1253 I N 1.379 121.780 120.570 -0.281 0.000 2.264 1253 I HA -0.184 3.987 4.170 0.000 0.000 0.248 1253 I C 2.625 178.430 176.117 -0.520 0.000 1.111 1253 I CA 0.792 61.785 61.300 -0.512 0.000 1.382 1253 I CB -1.613 36.025 38.000 -0.604 0.000 1.060 1253 I HN 0.412 nan 8.210 nan 0.000 0.418 1254 C N 1.615 120.561 119.300 -0.590 0.000 2.476 1254 C HA -0.056 4.404 4.460 0.000 0.000 0.278 1254 C C 2.233 177.064 174.990 -0.264 0.000 1.274 1254 C CA 0.739 59.422 59.018 -0.558 0.000 1.713 1254 C CB -1.012 26.180 27.740 -0.912 0.000 2.039 1254 C HN 0.501 nan 8.230 nan 0.000 0.484 1255 N N 1.238 119.825 118.700 -0.190 0.000 2.268 1255 N HA 0.051 4.791 4.740 0.000 0.000 0.204 1255 N C -0.217 175.283 175.510 -0.018 0.000 1.124 1255 N CA 0.136 53.132 53.050 -0.091 0.000 0.838 1255 N CB -0.508 37.926 38.487 -0.089 0.000 0.994 1255 N HN 0.576 nan 8.380 nan 0.000 0.489 1256 N N 1.821 120.552 118.700 0.052 0.000 2.411 1256 N HA 0.028 4.768 4.740 0.000 0.000 0.259 1256 N C 1.200 176.778 175.510 0.113 0.000 1.103 1256 N CA 0.169 53.286 53.050 0.112 0.000 0.954 1256 N CB 1.131 39.764 38.487 0.244 0.000 1.085 1256 N HN 0.120 nan 8.380 nan 0.000 0.485 1257 K N 3.813 124.246 120.400 0.056 0.000 2.127 1257 K HA -0.211 4.109 4.320 0.000 0.000 0.208 1257 K C 1.672 178.313 176.600 0.068 0.000 1.047 1257 K CA 1.580 57.896 56.287 0.048 0.000 0.927 1257 K CB -1.299 31.219 32.500 0.031 0.000 0.716 1257 K HN 0.795 nan 8.250 nan 0.000 0.450 1258 W N -0.146 121.027 121.300 -0.212 0.000 2.387 1258 W HA 0.018 4.678 4.660 0.000 0.000 0.272 1258 W C 0.721 176.981 176.519 -0.432 0.000 1.224 1258 W CA 0.986 58.110 57.345 -0.367 0.000 1.210 1258 W CB -0.184 28.942 29.460 -0.558 0.000 1.125 1258 W HN 0.260 nan 8.180 nan 0.000 0.572 1259 F N -0.465 119.448 119.950 -0.061 0.000 2.668 1259 F HA 0.134 4.661 4.527 0.000 0.000 0.297 1259 F C 1.976 177.696 175.800 -0.134 0.000 1.124 1259 F CA 0.465 58.356 58.000 -0.182 0.000 1.353 1259 F CB -0.851 38.040 39.000 -0.181 0.000 0.992 1259 F HN -0.380 nan 8.300 nan 0.000 0.524 1260 T N -0.419 114.147 114.554 0.020 0.000 2.592 1260 T HA -0.306 4.044 4.350 0.000 0.000 0.267 1260 T C 1.295 175.992 174.700 -0.004 0.000 1.060 1260 T CA 2.189 64.291 62.100 0.004 0.000 1.167 1260 T CB -0.239 68.622 68.868 -0.012 0.000 0.863 1260 T HN 0.146 nan 8.240 nan 0.000 0.431 1261 D N 0.679 121.067 120.400 -0.019 0.000 2.427 1261 D HA 0.163 4.803 4.640 0.000 0.000 0.224 1261 D C -0.455 175.850 176.300 0.008 0.000 1.157 1261 D CA 0.014 54.009 54.000 -0.009 0.000 0.828 1261 D CB 0.141 40.931 40.800 -0.016 0.000 0.974 1261 D HN 0.230 nan 8.370 nan 0.000 0.498 1262 T N -0.714 113.857 114.554 0.029 0.000 2.845 1262 T HA 0.157 4.507 4.350 0.000 0.000 0.288 1262 T C 1.396 176.121 174.700 0.041 0.000 0.980 1262 T CA -0.447 61.687 62.100 0.057 0.000 1.071 1262 T CB 1.852 70.795 68.868 0.125 0.000 0.941 1262 T HN -0.159 nan 8.240 nan 0.000 0.487 1263 S N 2.543 118.284 115.700 0.068 0.000 2.343 1263 S HA 0.022 4.492 4.470 0.000 0.000 0.219 1263 S C 0.698 175.328 174.600 0.050 0.000 1.033 1263 S CA 0.488 58.738 58.200 0.085 0.000 1.014 1263 S CB -0.380 62.928 63.200 0.181 0.000 0.915 1263 S HN 0.750 nan 8.310 nan 0.000 0.435 1264 I N 0.819 121.429 120.570 0.065 0.000 7.932 1264 I HA -0.159 4.011 4.170 0.000 0.000 0.126 1264 I C -1.038 175.167 176.117 0.146 0.000 1.847 1264 I CA 0.437 61.775 61.300 0.064 0.000 2.038 1264 I CB -1.676 36.306 38.000 -0.029 0.000 3.738 1264 I HN 0.215 nan 8.210 nan 0.000 0.169 1265 I N 6.301 126.976 120.570 0.174 0.000 2.436 1265 I HA 0.427 4.597 4.170 0.000 0.000 0.289 1265 I C -0.165 176.066 176.117 0.190 0.000 1.010 1265 I CA -0.912 60.524 61.300 0.225 0.000 1.098 1265 I CB 2.087 40.197 38.000 0.184 0.000 1.266 1265 I HN 0.335 nan 8.210 nan 0.000 0.434 1266 L N 7.067 128.416 121.223 0.209 0.000 2.257 1266 L HA 0.459 4.799 4.340 0.000 0.000 0.290 1266 L C -1.158 175.859 176.870 0.244 0.000 1.044 1266 L CA 0.112 55.019 54.840 0.112 0.000 0.810 1266 L CB 0.287 42.268 42.059 -0.129 0.000 1.193 1266 L HN 0.253 nan 8.230 nan 0.000 0.425 1267 F N 6.285 126.199 119.950 -0.061 0.000 2.313 1267 F HA 0.359 4.886 4.527 0.000 0.000 0.369 1267 F C -0.038 175.620 175.800 -0.236 0.000 1.109 1267 F CA -0.944 57.000 58.000 -0.093 0.000 1.132 1267 F CB 0.689 39.671 39.000 -0.030 0.000 1.291 1267 F HN 0.255 nan 8.300 nan 0.000 0.496 1268 L N 4.381 125.446 121.223 -0.263 0.000 2.356 1268 L HA 0.205 4.545 4.340 0.000 0.000 0.282 1268 L C 0.452 177.181 176.870 -0.235 0.000 1.132 1268 L CA -0.309 54.281 54.840 -0.416 0.000 0.923 1268 L CB -0.144 41.410 42.059 -0.841 0.000 1.278 1268 L HN 0.450 nan 8.230 nan 0.000 0.436 1269 N N 2.560 121.196 118.700 -0.108 0.000 2.379 1269 N HA 0.174 4.914 4.740 0.000 0.000 0.260 1269 N C 0.056 175.576 175.510 0.017 0.000 1.254 1269 N CA -0.270 52.762 53.050 -0.030 0.000 0.958 1269 N CB 0.575 39.067 38.487 0.009 0.000 1.208 1269 N HN 0.324 nan 8.380 nan 0.000 0.532 1270 K N -0.923 119.507 120.400 0.049 0.000 3.071 1270 K HA -0.245 4.075 4.320 0.000 0.000 0.265 1270 K C 0.560 177.269 176.600 0.181 0.000 1.060 1270 K CA 0.914 57.259 56.287 0.096 0.000 0.767 1270 K CB -1.112 31.448 32.500 0.100 0.000 1.241 1270 K HN 0.704 nan 8.250 nan 0.000 0.486 1271 K N 0.238 120.754 120.400 0.194 0.000 2.209 1271 K HA -0.192 4.128 4.320 0.000 0.000 0.204 1271 K C 1.368 178.166 176.600 0.331 0.000 1.048 1271 K CA 1.855 58.351 56.287 0.349 0.000 0.940 1271 K CB -0.040 32.688 32.500 0.379 0.000 0.729 1271 K HN 0.375 nan 8.250 nan 0.000 0.451 1272 D N 2.378 122.880 120.400 0.171 0.000 2.084 1272 D HA -0.212 4.428 4.640 0.000 0.000 0.196 1272 D C 2.155 178.526 176.300 0.117 0.000 0.985 1272 D CA 1.111 55.163 54.000 0.087 0.000 0.826 1272 D CB -0.584 40.241 40.800 0.042 0.000 0.978 1272 D HN 0.318 nan 8.370 nan 0.000 0.456 1273 L N -0.842 120.471 121.223 0.151 0.000 2.131 1273 L HA -0.080 4.260 4.340 0.000 0.000 0.210 1273 L C 2.657 179.658 176.870 0.220 0.000 1.092 1273 L CA 0.803 55.733 54.840 0.151 0.000 0.759 1273 L CB -0.547 41.596 42.059 0.140 0.000 0.903 1273 L HN -0.057 nan 8.230 nan 0.000 0.435 1274 F N 1.300 121.354 119.950 0.174 0.000 2.146 1274 F HA -0.212 4.315 4.527 0.000 0.000 0.298 1274 F C 2.563 178.507 175.800 0.240 0.000 1.096 1274 F CA 1.756 59.903 58.000 0.244 0.000 1.275 1274 F CB -0.115 39.039 39.000 0.258 0.000 1.008 1274 F HN 0.101 nan 8.300 nan 0.000 0.480 1275 E N -0.230 120.116 120.200 0.243 0.000 2.153 1275 E HA -0.221 4.129 4.350 0.000 0.000 0.194 1275 E C 1.874 178.444 176.600 -0.050 0.000 0.988 1275 E CA 1.406 57.828 56.400 0.036 0.000 0.811 1275 E CB -0.063 29.494 29.700 -0.239 0.000 0.746 1275 E HN 0.371 nan 8.360 nan 0.000 0.466 1276 E N 0.683 120.874 120.200 -0.016 0.000 2.086 1276 E HA -0.058 4.293 4.350 0.000 0.000 0.190 1276 E C 1.944 178.528 176.600 -0.027 0.000 0.975 1276 E CA 0.718 57.107 56.400 -0.018 0.000 0.813 1276 E CB -0.016 29.690 29.700 0.011 0.000 0.768 1276 E HN 0.254 nan 8.360 nan 0.000 0.457 1277 K N 0.597 120.988 120.400 -0.014 0.000 2.057 1277 K HA -0.109 4.211 4.320 0.000 0.000 0.207 1277 K C 2.141 178.732 176.600 -0.015 0.000 1.049 1277 K CA 0.743 57.037 56.287 0.011 0.000 0.931 1277 K CB -0.247 32.318 32.500 0.109 0.000 0.714 1277 K HN 0.008 nan 8.250 nan 0.000 0.440 1278 I N 2.364 122.808 120.570 -0.211 0.000 2.399 1278 I HA -0.271 3.899 4.170 0.000 0.000 0.254 1278 I C 1.538 177.594 176.117 -0.102 0.000 1.146 1278 I CA 1.597 62.722 61.300 -0.291 0.000 1.412 1278 I CB -0.088 37.564 38.000 -0.579 0.000 1.076 1278 I HN 0.043 nan 8.210 nan 0.000 0.432 1279 K N 0.169 120.531 120.400 -0.064 0.000 2.283 1279 K HA -0.096 4.224 4.320 0.000 0.000 0.202 1279 K C 1.832 178.427 176.600 -0.009 0.000 1.048 1279 K CA 1.489 57.760 56.287 -0.027 0.000 0.948 1279 K CB -0.129 32.357 32.500 -0.023 0.000 0.742 1279 K HN 0.461 nan 8.250 nan 0.000 0.458 1280 K N -0.002 120.397 120.400 -0.002 0.000 2.529 1280 K HA 0.177 4.497 4.320 0.000 0.000 0.215 1280 K C 0.363 176.979 176.600 0.026 0.000 1.286 1280 K CA -0.068 56.223 56.287 0.007 0.000 0.997 1280 K CB 1.234 33.730 32.500 -0.006 0.000 1.063 1280 K HN -0.076 nan 8.250 nan 0.000 0.590 1281 S N 3.432 119.167 115.700 0.059 0.000 2.461 1281 S HA 0.422 4.892 4.470 0.000 0.000 0.322 1281 S C -2.753 171.972 174.600 0.209 0.000 1.063 1281 S CA -1.455 56.806 58.200 0.101 0.000 1.120 1281 S CB 1.602 64.837 63.200 0.058 0.000 0.968 1281 S HN 0.390 nan 8.310 nan 0.000 0.467 1282 P HA 0.046 nan 4.420 nan 0.000 0.267 1282 P C 0.816 178.286 177.300 0.284 0.000 1.205 1282 P CA -0.477 62.733 63.100 0.184 0.000 0.765 1282 P CB 0.736 32.517 31.700 0.135 0.000 0.828 1283 L N 4.518 125.866 121.223 0.207 0.000 2.261 1283 L HA -0.158 4.183 4.340 0.000 0.000 0.216 1283 L C 2.160 179.181 176.870 0.250 0.000 1.114 1283 L CA 2.468 57.400 54.840 0.152 0.000 0.777 1283 L CB -1.577 40.308 42.059 -0.290 0.000 0.910 1283 L HN 0.456 nan 8.230 nan 0.000 0.440 1284 T N -3.460 111.254 114.554 0.266 0.000 3.025 1284 T HA -0.175 4.175 4.350 0.000 0.000 0.270 1284 T C 1.941 176.750 174.700 0.182 0.000 1.126 1284 T CA 1.365 63.613 62.100 0.246 0.000 1.105 1284 T CB -0.746 68.241 68.868 0.198 0.000 0.884 1284 T HN 0.417 nan 8.240 nan 0.000 0.522 1285 I N 0.115 120.790 120.570 0.176 0.000 2.361 1285 I HA -0.117 4.053 4.170 0.000 0.000 0.251 1285 I C 2.751 178.914 176.117 0.075 0.000 1.133 1285 I CA 0.813 62.174 61.300 0.101 0.000 1.413 1285 I CB -0.262 37.775 38.000 0.061 0.000 1.073 1285 I HN 0.471 nan 8.210 nan 0.000 0.424 1286 C N -0.507 118.866 119.300 0.121 0.000 2.487 1286 C HA 0.047 4.507 4.460 0.000 0.000 0.311 1286 C C 0.766 175.688 174.990 -0.113 0.000 1.367 1286 C CA -0.083 58.917 59.018 -0.029 0.000 1.865 1286 C CB -0.260 27.450 27.740 -0.049 0.000 2.277 1286 C HN 0.370 nan 8.230 nan 0.000 0.521 1287 Y N 2.008 122.461 120.300 0.255 0.000 2.837 1287 Y HA 0.338 4.888 4.550 0.000 0.000 0.356 1287 Y C -1.434 174.596 175.900 0.216 0.000 1.035 1287 Y CA -2.502 55.763 58.100 0.274 0.000 1.165 1287 Y CB 0.161 38.833 38.460 0.353 0.000 1.147 1287 Y HN 0.263 nan 8.280 nan 0.000 0.628 1288 P HA -0.301 nan 4.420 nan 0.000 0.219 1288 P C 0.961 178.376 177.300 0.191 0.000 1.149 1288 P CA 1.815 65.027 63.100 0.187 0.000 0.835 1288 P CB 0.448 32.218 31.700 0.118 0.000 0.778 1289 E N -0.728 119.612 120.200 0.233 0.000 2.494 1289 E HA -0.130 4.220 4.350 0.000 0.000 0.193 1289 E C 0.266 176.972 176.600 0.177 0.000 1.074 1289 E CA -0.498 56.012 56.400 0.183 0.000 0.867 1289 E CB -1.145 28.664 29.700 0.182 0.000 0.924 1289 E HN 0.277 nan 8.360 nan 0.000 0.502 1290 Y N 1.424 121.743 120.300 0.032 0.000 2.511 1290 Y HA 0.285 4.835 4.550 0.000 0.000 0.332 1290 Y C 0.768 176.593 175.900 -0.124 0.000 1.177 1290 Y CA 0.172 58.166 58.100 -0.178 0.000 1.422 1290 Y CB 1.026 39.342 38.460 -0.240 0.000 1.271 1290 Y HN 0.046 nan 8.280 nan 0.000 0.550 1291 A N 4.514 126.921 122.820 -0.688 0.000 2.635 1291 A HA 0.456 4.776 4.320 0.000 0.000 0.279 1291 A C 0.688 177.856 177.584 -0.694 0.000 1.122 1291 A CA 0.249 51.971 52.037 -0.527 0.000 0.965 1291 A CB -0.596 18.255 19.000 -0.248 0.000 1.221 1291 A HN 0.912 nan 8.150 nan 0.000 0.566 1292 G N 0.325 108.292 108.800 -1.389 0.000 2.557 1292 G HA2 0.452 4.413 3.960 0.000 0.000 0.292 1292 G HA3 0.452 4.413 3.960 0.000 0.000 0.292 1292 G C 0.397 174.984 174.900 -0.521 0.000 1.237 1292 G CA 0.345 44.944 45.100 -0.834 0.000 0.978 1292 G HN 0.725 nan 8.290 nan 0.000 0.498 1293 S N -0.426 115.184 115.700 -0.151 0.000 2.585 1293 S HA 0.135 4.605 4.470 0.000 0.000 0.273 1293 S C 0.223 174.896 174.600 0.121 0.000 1.339 1293 S CA -0.686 57.501 58.200 -0.021 0.000 1.028 1293 S CB 0.996 64.196 63.200 -0.000 0.000 0.906 1293 S HN 0.427 nan 8.310 nan 0.000 0.528 1294 N N 2.620 121.382 118.700 0.104 0.000 3.298 1294 N HA 0.181 4.921 4.740 0.000 0.000 0.292 1294 N C -0.196 175.347 175.510 0.055 0.000 1.271 1294 N CA 0.013 53.133 53.050 0.117 0.000 1.184 1294 N CB 0.245 38.785 38.487 0.088 0.000 1.452 1294 N HN 0.866 nan 8.380 nan 0.000 0.534 1295 T N -3.197 111.400 114.554 0.072 0.000 2.932 1295 T HA 0.199 4.549 4.350 0.000 0.000 0.289 1295 T C 1.210 175.966 174.700 0.093 0.000 1.039 1295 T CA -0.740 61.402 62.100 0.069 0.000 1.024 1295 T CB 1.602 70.513 68.868 0.072 0.000 1.090 1295 T HN 0.190 nan 8.240 nan 0.000 0.496 1296 Y N 1.980 122.285 120.300 0.009 0.000 2.014 1296 Y HA -0.224 4.326 4.550 0.000 0.000 0.272 1296 Y C 2.194 178.181 175.900 0.145 0.000 1.164 1296 Y CA 2.499 60.650 58.100 0.083 0.000 1.114 1296 Y CB -0.677 37.815 38.460 0.054 0.000 0.961 1296 Y HN 0.848 nan 8.280 nan 0.000 0.489 1297 E N 0.372 120.532 120.200 -0.066 0.000 2.035 1297 E HA -0.265 4.085 4.350 0.000 0.000 0.204 1297 E C 2.307 178.826 176.600 -0.136 0.000 1.025 1297 E CA 1.976 58.264 56.400 -0.186 0.000 0.835 1297 E CB -0.516 29.168 29.700 -0.027 0.000 0.764 1297 E HN 0.693 nan 8.360 nan 0.000 0.457 1298 E N -0.143 120.052 120.200 -0.008 0.000 2.051 1298 E HA -0.201 4.149 4.350 0.000 0.000 0.192 1298 E C 2.039 178.699 176.600 0.100 0.000 0.991 1298 E CA 1.009 57.448 56.400 0.066 0.000 0.799 1298 E CB -0.152 29.618 29.700 0.116 0.000 0.748 1298 E HN 0.254 nan 8.360 nan 0.000 0.449 1299 A N 1.210 124.086 122.820 0.093 0.000 1.908 1299 A HA -0.167 4.153 4.320 0.000 0.000 0.218 1299 A C 2.380 180.004 177.584 0.068 0.000 1.181 1299 A CA 2.014 54.089 52.037 0.063 0.000 0.627 1299 A CB -0.820 18.255 19.000 0.125 0.000 0.818 1299 A HN 0.418 nan 8.150 nan 0.000 0.445 1300 A N -0.209 122.603 122.820 -0.013 0.000 1.877 1300 A HA 0.166 4.486 4.320 0.000 0.000 0.216 1300 A C 2.519 180.098 177.584 -0.008 0.000 1.186 1300 A CA 2.132 54.044 52.037 -0.209 0.000 0.620 1300 A CB -1.074 17.671 19.000 -0.426 0.000 0.822 1300 A HN 1.122 nan 8.150 nan 0.000 0.443 1301 A N -1.863 120.941 122.820 -0.027 0.000 1.972 1301 A HA -0.113 4.207 4.320 0.000 0.000 0.219 1301 A C 2.116 179.744 177.584 0.074 0.000 1.169 1301 A CA 1.660 53.724 52.037 0.045 0.000 0.635 1301 A CB -0.730 18.272 19.000 0.003 0.000 0.810 1301 A HN 0.696 nan 8.150 nan 0.000 0.446 1302 Y N 0.299 120.565 120.300 -0.056 0.000 2.200 1302 Y HA -0.125 4.425 4.550 0.000 0.000 0.290 1302 Y C 1.999 177.798 175.900 -0.168 0.000 1.137 1302 Y CA 1.582 59.621 58.100 -0.101 0.000 1.163 1302 Y CB -0.179 38.189 38.460 -0.154 0.000 0.988 1302 Y HN 0.273 nan 8.280 nan 0.000 0.518 1303 I N 0.178 120.727 120.570 -0.034 0.000 2.179 1303 I HA -0.368 3.802 4.170 0.000 0.000 0.242 1303 I C 2.614 178.727 176.117 -0.006 0.000 1.088 1303 I CA 1.920 63.209 61.300 -0.019 0.000 1.357 1303 I CB -0.609 37.402 38.000 0.020 0.000 1.051 1303 I HN 0.307 nan 8.210 nan 0.000 0.409 1304 Q N 0.362 120.133 119.800 -0.049 0.000 2.112 1304 Q HA -0.309 4.031 4.340 0.000 0.000 0.206 1304 Q C 2.476 178.437 176.000 -0.065 0.000 0.987 1304 Q CA 2.354 58.102 55.803 -0.091 0.000 0.858 1304 Q CB -0.387 28.346 28.738 -0.008 0.000 0.905 1304 Q HN 0.601 nan 8.270 nan 0.000 0.420 1305 C N 0.795 120.020 119.300 -0.124 0.000 2.440 1305 C HA -0.077 4.383 4.460 0.000 0.000 0.278 1305 C C 2.603 177.435 174.990 -0.263 0.000 1.295 1305 C CA 0.919 59.823 59.018 -0.190 0.000 1.738 1305 C CB -0.679 26.909 27.740 -0.254 0.000 1.987 1305 C HN 0.610 nan 8.230 nan 0.000 0.492 1306 Q N -0.540 119.028 119.800 -0.387 0.000 2.224 1306 Q HA -0.057 4.283 4.340 0.000 0.000 0.203 1306 Q C 1.800 177.648 176.000 -0.254 0.000 0.970 1306 Q CA 1.486 57.037 55.803 -0.420 0.000 0.865 1306 Q CB -0.541 27.826 28.738 -0.619 0.000 0.922 1306 Q HN 0.733 nan 8.270 nan 0.000 0.445 1307 F N 1.167 120.969 119.950 -0.247 0.000 2.118 1307 F HA -0.048 4.479 4.527 0.000 0.000 0.293 1307 F C 2.300 178.053 175.800 -0.079 0.000 1.102 1307 F CA 0.991 58.838 58.000 -0.256 0.000 1.247 1307 F CB -0.111 38.527 39.000 -0.603 0.000 1.017 1307 F HN 0.086 nan 8.300 nan 0.000 0.475 1308 E N -0.024 120.229 120.200 0.088 0.000 2.153 1308 E HA -0.206 4.144 4.350 0.000 0.000 0.194 1308 E C 1.430 178.066 176.600 0.059 0.000 0.988 1308 E CA 1.201 57.662 56.400 0.101 0.000 0.811 1308 E CB -0.181 29.532 29.700 0.021 0.000 0.746 1308 E HN 0.331 nan 8.360 nan 0.000 0.466 1309 D N 0.408 120.804 120.400 -0.007 0.000 2.310 1309 D HA -0.090 4.550 4.640 0.000 0.000 0.212 1309 D C 1.795 178.089 176.300 -0.011 0.000 0.965 1309 D CA 0.542 54.525 54.000 -0.030 0.000 0.879 1309 D CB 0.050 40.803 40.800 -0.078 0.000 0.921 1309 D HN 0.209 nan 8.370 nan 0.000 0.510 1310 L N 0.172 121.409 121.223 0.022 0.000 2.156 1310 L HA -0.087 4.253 4.340 0.000 0.000 0.208 1310 L C 0.978 177.844 176.870 -0.006 0.000 1.095 1310 L CA 0.130 54.979 54.840 0.015 0.000 0.770 1310 L CB -0.420 41.673 42.059 0.058 0.000 0.914 1310 L HN -0.075 nan 8.230 nan 0.000 0.439 1311 N N 1.688 120.400 118.700 0.020 0.000 2.412 1311 N HA -0.082 4.658 4.740 0.000 0.000 0.279 1311 N C -0.166 175.321 175.510 -0.039 0.000 1.287 1311 N CA 0.383 53.411 53.050 -0.037 0.000 0.948 1311 N CB 0.335 38.818 38.487 -0.007 0.000 1.255 1311 N HN -0.116 nan 8.380 nan 0.000 0.485 1312 K N 4.001 124.370 120.400 -0.052 0.000 2.758 1312 K HA 0.197 4.517 4.320 0.000 0.000 0.250 1312 K C -0.106 176.471 176.600 -0.038 0.000 1.268 1312 K CA 0.027 56.291 56.287 -0.039 0.000 1.228 1312 K CB -0.144 32.334 32.500 -0.036 0.000 1.715 1312 K HN 0.613 nan 8.250 nan 0.000 0.334 1313 R N -0.135 120.342 120.500 -0.038 0.000 2.585 1313 R HA 0.021 4.361 4.340 0.000 0.000 0.085 1313 R C 0.540 176.817 176.300 -0.039 0.000 0.570 1313 R CA -0.067 56.011 56.100 -0.036 0.000 0.785 1313 R CB 0.019 30.294 30.300 -0.041 0.000 0.922 1313 R HN 0.096 nan 8.270 nan 0.000 0.617 1314 K N 0.532 120.912 120.400 -0.033 0.000 2.173 1314 K HA -0.188 4.132 4.320 0.000 0.000 0.207 1314 K C 0.757 177.337 176.600 -0.034 0.000 1.046 1314 K CA 1.592 57.860 56.287 -0.032 0.000 0.929 1314 K CB 0.094 32.581 32.500 -0.023 0.000 0.720 1314 K HN 0.282 nan 8.250 nan 0.000 0.453 1315 D N -0.332 120.051 120.400 -0.028 0.000 2.183 1315 D HA -0.043 4.597 4.640 0.000 0.000 0.205 1315 D C 1.806 178.090 176.300 -0.027 0.000 0.962 1315 D CA 1.049 55.035 54.000 -0.024 0.000 0.849 1315 D CB 0.086 40.876 40.800 -0.017 0.000 0.978 1315 D HN 0.129 nan 8.370 nan 0.000 0.488 1316 T N 1.391 115.927 114.554 -0.029 0.000 2.643 1316 T HA -0.053 4.297 4.350 0.000 0.000 0.264 1316 T C 1.013 175.689 174.700 -0.040 0.000 1.045 1316 T CA 1.001 63.083 62.100 -0.030 0.000 1.155 1316 T CB 0.230 69.081 68.868 -0.028 0.000 0.863 1316 T HN -0.087 nan 8.240 nan 0.000 0.420 1317 K N 1.447 121.813 120.400 -0.056 0.000 2.328 1317 K HA 0.490 4.810 4.320 0.000 0.000 0.246 1317 K C -0.617 175.912 176.600 -0.118 0.000 0.955 1317 K CA -0.477 55.760 56.287 -0.082 0.000 0.817 1317 K CB 2.375 34.827 32.500 -0.080 0.000 1.208 1317 K HN 0.224 nan 8.250 nan 0.000 0.432 1318 E N 2.463 122.546 120.200 -0.195 0.000 2.191 1318 E HA 0.315 4.665 4.350 0.000 0.000 0.274 1318 E C -0.732 175.627 176.600 -0.402 0.000 0.948 1318 E CA -0.708 55.523 56.400 -0.281 0.000 0.802 1318 E CB 1.026 30.520 29.700 -0.343 0.000 1.137 1318 E HN 0.324 nan 8.360 nan 0.000 0.397 1319 I N 4.904 125.316 120.570 -0.264 0.000 2.347 1319 I HA 0.159 4.329 4.170 0.000 0.000 0.283 1319 I C -0.701 175.340 176.117 -0.126 0.000 1.058 1319 I CA -0.669 60.535 61.300 -0.159 0.000 1.202 1319 I CB -0.756 37.267 38.000 0.038 0.000 1.386 1319 I HN 0.436 nan 8.210 nan 0.000 0.475 1320 Y N 4.116 124.440 120.300 0.041 0.000 2.632 1320 Y HA 0.165 4.715 4.550 0.000 0.000 0.329 1320 Y C 1.239 177.138 175.900 -0.001 0.000 1.174 1320 Y CA 0.343 58.450 58.100 0.010 0.000 1.469 1320 Y CB 0.075 38.569 38.460 0.056 0.000 1.242 1320 Y HN 0.411 nan 8.280 nan 0.000 0.540 1321 T N 4.134 118.708 114.554 0.033 0.000 2.885 1321 T HA 0.461 4.811 4.350 0.000 0.000 0.285 1321 T C -0.887 173.674 174.700 -0.231 0.000 1.019 1321 T CA -0.860 61.209 62.100 -0.052 0.000 1.010 1321 T CB 1.001 69.815 68.868 -0.090 0.000 1.022 1321 T HN 0.503 nan 8.240 nan 0.000 0.466 1322 H N 0.761 119.832 119.070 0.002 0.000 2.894 1322 H HA 0.385 4.941 4.556 0.000 0.000 0.367 1322 H C -1.368 173.833 175.328 -0.212 0.000 1.144 1322 H CA -0.629 55.412 56.048 -0.011 0.000 1.180 1322 H CB 1.491 31.191 29.762 -0.103 0.000 1.758 1322 H HN 0.449 nan 8.280 nan 0.000 0.541 1323 F N 1.801 121.782 119.950 0.050 0.000 2.411 1323 F HA 0.341 4.868 4.527 0.000 0.000 0.352 1323 F C 0.935 176.721 175.800 -0.022 0.000 1.123 1323 F CA -0.297 57.702 58.000 -0.000 0.000 1.044 1323 F CB 1.714 40.730 39.000 0.026 0.000 1.135 1323 F HN 0.420 nan 8.300 nan 0.000 0.461 1324 T N -0.905 113.657 114.554 0.015 0.000 2.804 1324 T HA 0.530 4.881 4.350 0.000 0.000 0.290 1324 T C -1.288 173.412 174.700 0.000 0.000 1.099 1324 T CA -0.917 61.155 62.100 -0.047 0.000 1.011 1324 T CB 1.672 70.374 68.868 -0.277 0.000 1.291 1324 T HN 0.647 nan 8.240 nan 0.000 0.523 1325 C N 1.737 121.023 119.300 -0.023 0.000 3.164 1325 C HA 0.767 5.227 4.460 0.000 0.000 0.250 1325 C C 1.792 176.757 174.990 -0.041 0.000 1.151 1325 C CA 0.024 59.035 59.018 -0.011 0.000 1.449 1325 C CB -1.242 26.498 27.740 0.001 0.000 1.825 1325 C HN 1.122 nan 8.230 nan 0.000 0.478 1326 A N 2.708 125.504 122.820 -0.040 0.000 2.042 1326 A HA -0.170 4.150 4.320 0.000 0.000 0.222 1326 A C 2.133 179.674 177.584 -0.072 0.000 1.167 1326 A CA 2.715 54.725 52.037 -0.045 0.000 0.649 1326 A CB -0.532 18.458 19.000 -0.015 0.000 0.809 1326 A HN 1.134 nan 8.150 nan 0.000 0.457 1327 T N -2.935 111.571 114.554 -0.080 0.000 3.067 1327 T HA 0.060 4.410 4.350 0.000 0.000 0.257 1327 T C 0.501 175.141 174.700 -0.101 0.000 1.105 1327 T CA 0.667 62.698 62.100 -0.116 0.000 1.104 1327 T CB -0.195 68.584 68.868 -0.149 0.000 0.925 1327 T HN 0.363 nan 8.240 nan 0.000 0.498 1328 D N 1.603 121.958 120.400 -0.074 0.000 2.479 1328 D HA 0.270 4.911 4.640 0.000 0.000 0.218 1328 D C 1.078 177.339 176.300 -0.066 0.000 1.131 1328 D CA -0.225 53.738 54.000 -0.061 0.000 0.916 1328 D CB 0.853 41.628 40.800 -0.042 0.000 1.022 1328 D HN -0.006 nan 8.370 nan 0.000 0.515 1329 T N 2.714 117.220 114.554 -0.080 0.000 2.721 1329 T HA -0.248 4.102 4.350 0.000 0.000 0.268 1329 T C 1.649 176.302 174.700 -0.078 0.000 1.038 1329 T CA 1.415 63.455 62.100 -0.099 0.000 1.145 1329 T CB -0.016 68.789 68.868 -0.104 0.000 0.858 1329 T HN 0.448 nan 8.240 nan 0.000 0.459 1330 K N 1.004 121.374 120.400 -0.050 0.000 2.097 1330 K HA -0.098 4.222 4.320 0.000 0.000 0.206 1330 K C 2.363 178.972 176.600 0.014 0.000 1.049 1330 K CA 1.220 57.493 56.287 -0.024 0.000 0.933 1330 K CB -0.153 32.330 32.500 -0.029 0.000 0.717 1330 K HN 0.310 nan 8.250 nan 0.000 0.442 1331 N N 0.192 118.893 118.700 0.001 0.000 2.171 1331 N HA -0.122 4.618 4.740 0.000 0.000 0.184 1331 N C 1.702 177.245 175.510 0.055 0.000 1.021 1331 N CA 1.149 54.226 53.050 0.045 0.000 0.854 1331 N CB 0.164 38.656 38.487 0.007 0.000 0.994 1331 N HN 0.014 nan 8.380 nan 0.000 0.426 1332 V N 1.479 121.376 119.914 -0.028 0.000 2.407 1332 V HA -0.200 3.921 4.120 0.000 0.000 0.248 1332 V C 2.577 178.641 176.094 -0.050 0.000 1.055 1332 V CA 1.614 63.874 62.300 -0.067 0.000 1.049 1332 V CB -0.629 31.124 31.823 -0.117 0.000 0.662 1332 V HN 0.414 nan 8.190 nan 0.000 0.455 1333 Q N -0.859 118.904 119.800 -0.063 0.000 2.079 1333 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 1333 Q C 2.152 178.190 176.000 0.063 0.000 0.974 1333 Q CA 1.928 57.686 55.803 -0.075 0.000 0.840 1333 Q CB -0.164 28.521 28.738 -0.088 0.000 0.898 1333 Q HN 0.617 nan 8.270 nan 0.000 0.430 1334 F N 0.359 120.295 119.950 -0.024 0.000 2.031 1334 F HA -0.215 4.312 4.527 0.000 0.000 0.295 1334 F C 1.964 177.762 175.800 -0.003 0.000 1.133 1334 F CA 1.558 59.563 58.000 0.008 0.000 1.188 1334 F CB -0.654 38.345 39.000 -0.002 0.000 0.974 1334 F HN -0.114 nan 8.300 nan 0.000 0.473 1335 V N 0.154 120.019 119.914 -0.082 0.000 2.324 1335 V HA -0.343 3.777 4.120 0.000 0.000 0.250 1335 V C 2.298 178.182 176.094 -0.351 0.000 1.060 1335 V CA 2.283 64.387 62.300 -0.327 0.000 1.042 1335 V CB -1.097 30.531 31.823 -0.325 0.000 0.650 1335 V HN 0.461 nan 8.190 nan 0.000 0.450 1336 F N 0.623 120.434 119.950 -0.232 0.000 2.293 1336 F HA -0.127 4.400 4.527 0.000 0.000 0.300 1336 F C 2.253 178.030 175.800 -0.039 0.000 1.086 1336 F CA 1.638 59.573 58.000 -0.108 0.000 1.375 1336 F CB -0.216 38.734 39.000 -0.084 0.000 1.045 1336 F HN 0.191 nan 8.300 nan 0.000 0.516 1337 D N 0.189 120.615 120.400 0.044 0.000 2.097 1337 D HA -0.197 4.443 4.640 0.000 0.000 0.195 1337 D C 2.303 178.568 176.300 -0.058 0.000 0.989 1337 D CA 1.412 55.499 54.000 0.145 0.000 0.827 1337 D CB -0.101 40.744 40.800 0.075 0.000 0.966 1337 D HN 0.349 nan 8.370 nan 0.000 0.456 1338 A N 0.428 123.095 122.820 -0.255 0.000 1.933 1338 A HA -0.118 4.202 4.320 0.000 0.000 0.218 1338 A C 2.598 180.074 177.584 -0.181 0.000 1.175 1338 A CA 1.250 53.157 52.037 -0.218 0.000 0.628 1338 A CB -0.708 18.160 19.000 -0.220 0.000 0.814 1338 A HN 0.201 nan 8.150 nan 0.000 0.444 1339 V N -0.351 119.380 119.914 -0.306 0.000 2.261 1339 V HA -0.247 3.873 4.120 0.000 0.000 0.246 1339 V C 2.741 178.669 176.094 -0.277 0.000 1.047 1339 V CA 2.539 64.649 62.300 -0.318 0.000 1.015 1339 V CB -1.321 30.173 31.823 -0.548 0.000 0.642 1339 V HN 0.593 nan 8.190 nan 0.000 0.446 1340 T N -0.434 113.941 114.554 -0.297 0.000 2.737 1340 T HA -0.219 4.131 4.350 0.000 0.000 0.269 1340 T C 1.625 176.310 174.700 -0.026 0.000 1.040 1340 T CA 1.748 63.834 62.100 -0.024 0.000 1.142 1340 T CB -0.380 68.639 68.868 0.251 0.000 0.861 1340 T HN 0.491 nan 8.240 nan 0.000 0.456 1341 D N 0.628 120.987 120.400 -0.068 0.000 2.097 1341 D HA -0.032 4.608 4.640 0.000 0.000 0.197 1341 D C 2.258 178.502 176.300 -0.094 0.000 0.984 1341 D CA 0.688 54.643 54.000 -0.075 0.000 0.826 1341 D CB -0.519 40.239 40.800 -0.070 0.000 0.973 1341 D HN 0.191 nan 8.370 nan 0.000 0.460 1342 V N 1.342 121.169 119.914 -0.144 0.000 2.720 1342 V HA -0.182 3.938 4.120 0.000 0.000 0.256 1342 V C 2.381 178.382 176.094 -0.156 0.000 1.082 1342 V CA 0.907 63.080 62.300 -0.212 0.000 1.101 1342 V CB -0.271 31.283 31.823 -0.448 0.000 0.693 1342 V HN 0.217 nan 8.190 nan 0.000 0.479 1343 I N -0.799 119.709 120.570 -0.102 0.000 2.406 1343 I HA -0.156 4.014 4.170 0.000 0.000 0.249 1343 I C 2.146 178.241 176.117 -0.035 0.000 1.122 1343 I CA 1.423 62.699 61.300 -0.039 0.000 1.431 1343 I CB -0.089 37.925 38.000 0.022 0.000 1.087 1343 I HN 0.249 nan 8.210 nan 0.000 0.424 1344 I N 1.214 121.757 120.570 -0.045 0.000 2.277 1344 I HA -0.266 3.904 4.170 0.000 0.000 0.243 1344 I C 2.569 178.659 176.117 -0.045 0.000 1.094 1344 I CA 1.249 62.518 61.300 -0.052 0.000 1.393 1344 I CB -0.338 37.624 38.000 -0.065 0.000 1.078 1344 I HN 0.208 nan 8.210 nan 0.000 0.417 1345 K N 0.720 121.092 120.400 -0.046 0.000 2.283 1345 K HA -0.136 4.185 4.320 0.000 0.000 0.202 1345 K C 1.087 177.676 176.600 -0.018 0.000 1.048 1345 K CA 1.541 57.809 56.287 -0.033 0.000 0.948 1345 K CB -0.305 32.175 32.500 -0.034 0.000 0.742 1345 K HN 0.116 nan 8.250 nan 0.000 0.458 1346 N N 1.678 120.367 118.700 -0.018 0.000 2.416 1346 N HA 0.052 4.792 4.740 0.000 0.000 0.215 1346 N C -1.020 174.491 175.510 0.003 0.000 1.208 1346 N CA 0.022 53.077 53.050 0.009 0.000 0.834 1346 N CB -0.209 38.295 38.487 0.029 0.000 1.072 1346 N HN 0.280 nan 8.380 nan 0.000 0.472 1347 N N 0.000 118.693 118.700 -0.011 0.000 1.763 1347 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1347 N CA 0.000 53.040 53.050 -0.017 0.000 0.885 1347 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 1347 N HN 0.000 nan 8.380 nan 0.000 0.667