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 3gre_1_A DATA FIRST_RESID 1031 DATA SEQUENCE ESIEKFLSTF XILPPLRDYK EFGPIQEIVR SPNMGNLRGK LIATLMENEP DATA SEQUENCE NSITSSAVSP GETPYLITGS DQGVIKIWNL KEIIVGEVYS SSLTYDCSST DATA SEQUENCE VTQITMIPNF DAFAVSSKDG QIIVLKVNHY QQESEVKFLN CECIRKINLK DATA SEQUENCE NFGKNEYAVR MRAFVNEEKS LLVALTNLSR VIIFDIRTLE RLQIIENSPR DATA SEQUENCE HGAVSSICID EECCVLILGT TRGIIDIWDI RFNVLIRSWS FGDHAPITHV DATA SEQUENCE EVCQFYGKNS VIVVGGSSKT FLTIWNFVKG HCQYAFINSD EQPSMEHFLP DATA SEQUENCE IEKGLEELNF CGIRSLNALS TISVSNDKIL LTDEATSSIV MFSLNELSSS DATA SEQUENCE KAVISPXXFS DVFIPTQVTA NLTMLLRKMK XXXXXXXXXX XXXHDIINSI DATA SEQUENCE STCEVDETPL LVACDNSGLI GIFQ 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 1031 E HA 0.000 nan 4.350 nan 0.000 0.291 1031 E C 0.000 176.621 176.600 0.035 0.000 1.382 1031 E CA 0.000 56.410 56.400 0.017 0.000 0.976 1031 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 1032 S N 0.765 116.507 115.700 0.070 0.000 2.546 1032 S HA 0.558 5.029 4.470 0.002 0.000 0.274 1032 S C 0.230 174.932 174.600 0.171 0.000 1.121 1032 S CA -0.468 57.790 58.200 0.097 0.000 0.887 1032 S CB 0.954 64.213 63.200 0.098 0.000 1.094 1032 S HN 0.643 nan 8.310 nan 0.000 0.474 1033 I N 1.048 121.712 120.570 0.156 0.000 4.018 1033 I HA 0.537 4.708 4.170 0.002 0.000 0.337 1033 I C 1.591 177.870 176.117 0.271 0.000 1.327 1033 I CA 0.082 61.524 61.300 0.237 0.000 1.100 1033 I CB 0.149 38.204 38.000 0.092 0.000 1.025 1033 I HN 0.568 nan 8.210 nan 0.000 0.396 1034 E N 2.932 123.243 120.200 0.185 0.000 2.077 1034 E HA -0.199 4.153 4.350 0.002 0.000 0.193 1034 E C 2.302 178.994 176.600 0.153 0.000 0.989 1034 E CA 2.727 59.218 56.400 0.151 0.000 0.800 1034 E CB -0.192 29.604 29.700 0.159 0.000 0.746 1034 E HN 0.519 nan 8.360 nan 0.000 0.452 1035 K N -0.317 120.124 120.400 0.069 0.000 2.360 1035 K HA -0.117 4.204 4.320 0.002 0.000 0.201 1035 K C 1.768 178.163 176.600 -0.341 0.000 1.046 1035 K CA 1.624 57.815 56.287 -0.160 0.000 0.940 1035 K CB -0.947 31.283 32.500 -0.450 0.000 0.748 1035 K HN 0.311 nan 8.250 nan 0.000 0.465 1036 F N -0.710 119.246 119.950 0.010 0.000 2.695 1036 F HA 0.329 4.857 4.527 0.002 0.000 0.303 1036 F C 1.347 177.173 175.800 0.043 0.000 1.091 1036 F CA -0.221 57.774 58.000 -0.008 0.000 1.300 1036 F CB 0.461 39.398 39.000 -0.106 0.000 1.071 1036 F HN -0.065 nan 8.300 nan 0.000 0.578 1037 L N -0.942 120.367 121.223 0.144 0.000 2.611 1037 L HA 0.126 4.467 4.340 0.002 0.000 0.229 1037 L C 0.913 177.793 176.870 0.017 0.000 1.137 1037 L CA 0.077 54.962 54.840 0.074 0.000 0.901 1037 L CB -0.467 41.608 42.059 0.027 0.000 1.098 1037 L HN 0.046 nan 8.230 nan 0.000 0.456 1038 S N -0.785 114.932 115.700 0.028 0.000 3.521 1038 S HA -0.211 4.260 4.470 0.002 0.000 0.328 1038 S C 1.406 175.944 174.600 -0.103 0.000 1.165 1038 S CA 0.972 59.173 58.200 0.003 0.000 0.941 1038 S CB -1.371 61.847 63.200 0.031 0.000 0.951 1038 S HN 0.566 nan 8.310 nan 0.000 0.539 1039 T N 0.181 114.579 114.554 -0.261 0.000 2.867 1039 T HA 0.090 4.441 4.350 0.002 0.000 0.268 1039 T C 0.690 175.011 174.700 -0.631 0.000 1.057 1039 T CA 1.228 63.001 62.100 -0.544 0.000 1.136 1039 T CB -0.118 68.225 68.868 -0.876 0.000 0.874 1039 T HN 0.490 nan 8.240 nan 0.000 0.466 1043 L N 3.482 124.732 121.223 0.044 0.000 2.483 1043 L HA 0.354 4.695 4.340 0.002 0.000 0.159 1043 L C -1.550 175.332 176.870 0.021 0.000 1.273 1043 L CA 0.447 55.320 54.840 0.055 0.000 2.526 1043 L CB -1.357 40.725 42.059 0.037 0.000 2.598 1043 L HN 0.155 nan 8.230 nan 0.000 0.766 1044 P HA 0.092 nan 4.420 nan 0.000 0.271 1044 P C -2.639 174.768 177.300 0.178 0.000 1.238 1044 P CA -0.937 62.149 63.100 -0.023 0.000 0.794 1044 P CB -0.789 30.787 31.700 -0.207 0.000 0.959 1045 P HA 0.011 nan 4.420 nan 0.000 0.272 1045 P C 1.044 178.481 177.300 0.228 0.000 1.240 1045 P CA -0.336 62.854 63.100 0.150 0.000 0.791 1045 P CB 0.510 32.279 31.700 0.115 0.000 0.978 1046 L N 2.370 123.625 121.223 0.053 0.000 2.081 1046 L HA -0.186 4.155 4.340 0.002 0.000 0.212 1046 L C 2.709 179.615 176.870 0.061 0.000 1.080 1046 L CA 1.919 56.656 54.840 -0.172 0.000 0.754 1046 L CB -1.189 40.583 42.059 -0.479 0.000 0.893 1046 L HN 0.401 nan 8.230 nan 0.000 0.433 1047 R N -1.364 119.307 120.500 0.285 0.000 2.249 1047 R HA -0.153 4.189 4.340 0.002 0.000 0.230 1047 R C 0.861 177.361 176.300 0.334 0.000 1.121 1047 R CA 1.594 57.945 56.100 0.418 0.000 0.997 1047 R CB -0.778 29.700 30.300 0.296 0.000 0.867 1047 R HN 0.340 nan 8.270 nan 0.000 0.465 1048 D N -0.282 120.323 120.400 0.342 0.000 2.339 1048 D HA 0.006 4.648 4.640 0.002 0.000 0.217 1048 D C -0.587 175.930 176.300 0.360 0.000 1.050 1048 D CA 0.432 54.621 54.000 0.316 0.000 0.856 1048 D CB 0.075 41.019 40.800 0.239 0.000 0.922 1048 D HN 0.216 nan 8.370 nan 0.000 0.518 1049 Y N 1.376 121.825 120.300 0.247 0.000 2.535 1049 Y HA 0.167 4.718 4.550 0.003 0.000 0.349 1049 Y C 1.548 177.555 175.900 0.178 0.000 0.992 1049 Y CA -0.490 57.729 58.100 0.197 0.000 1.248 1049 Y CB 0.691 39.286 38.460 0.224 0.000 1.124 1049 Y HN -0.265 nan 8.280 nan 0.000 0.520 1050 K N 1.463 121.947 120.400 0.141 0.000 2.209 1050 K HA -0.177 4.144 4.320 0.002 0.000 0.204 1050 K C 1.744 178.415 176.600 0.118 0.000 1.048 1050 K CA 1.345 57.704 56.287 0.121 0.000 0.940 1050 K CB 0.187 32.703 32.500 0.027 0.000 0.729 1050 K HN 0.664 nan 8.250 nan 0.000 0.451 1051 E N 0.770 121.024 120.200 0.090 0.000 2.338 1051 E HA -0.172 4.179 4.350 0.002 0.000 0.197 1051 E C 1.247 177.789 176.600 -0.096 0.000 1.007 1051 E CA 1.104 57.485 56.400 -0.032 0.000 0.849 1051 E CB -0.308 29.321 29.700 -0.118 0.000 0.774 1051 E HN 0.365 nan 8.360 nan 0.000 0.506 1052 F N 1.565 121.520 119.950 0.009 0.000 2.780 1052 F HA 0.250 4.778 4.527 0.001 0.000 0.299 1052 F C 1.597 177.501 175.800 0.173 0.000 1.146 1052 F CA 0.848 58.845 58.000 -0.006 0.000 1.428 1052 F CB 0.200 39.043 39.000 -0.261 0.000 1.115 1052 F HN 0.207 nan 8.300 nan 0.000 0.583 1053 G N 0.574 109.552 108.800 0.296 0.000 2.829 1053 G HA2 -0.204 3.757 3.960 0.002 0.000 0.628 1053 G HA3 -0.204 3.757 3.960 0.002 0.000 0.628 1053 G C -2.806 172.306 174.900 0.354 0.000 1.412 1053 G CA -1.425 43.827 45.100 0.253 0.000 0.864 1053 G HN 0.008 nan 8.290 nan 0.000 0.544 1054 P HA 0.400 nan 4.420 nan 0.000 0.271 1054 P C 0.649 178.002 177.300 0.089 0.000 1.216 1054 P CA -0.485 62.722 63.100 0.179 0.000 0.776 1054 P CB 0.644 32.407 31.700 0.105 0.000 0.881 1055 I N 2.441 122.967 120.570 -0.073 0.000 2.752 1055 I HA -0.051 4.121 4.170 0.002 0.000 0.287 1055 I C 0.322 176.276 176.117 -0.272 0.000 1.188 1055 I CA 0.270 61.245 61.300 -0.542 0.000 1.427 1055 I CB 0.391 38.088 38.000 -0.505 0.000 1.365 1055 I HN 0.239 nan 8.210 nan 0.000 0.585 1056 Q N 5.132 124.751 119.800 -0.302 0.000 2.226 1056 Q HA 0.346 4.687 4.340 0.002 0.000 0.256 1056 Q C -0.137 175.794 176.000 -0.114 0.000 0.962 1056 Q CA -0.411 55.316 55.803 -0.126 0.000 0.887 1056 Q CB 1.239 29.938 28.738 -0.064 0.000 1.282 1056 Q HN 0.746 nan 8.270 nan 0.000 0.449 1057 E N 2.185 122.349 120.200 -0.060 0.000 2.414 1057 E HA 0.115 4.466 4.350 0.002 0.000 0.263 1057 E C 0.253 176.824 176.600 -0.048 0.000 1.000 1057 E CA -0.287 56.085 56.400 -0.048 0.000 0.914 1057 E CB 0.089 29.774 29.700 -0.025 0.000 0.948 1057 E HN 0.419 nan 8.360 nan 0.000 0.444 1058 I N 2.127 122.669 120.570 -0.046 0.000 2.826 1058 I HA 0.015 4.187 4.170 0.002 0.000 0.295 1058 I C 0.780 176.883 176.117 -0.023 0.000 1.213 1058 I CA 0.613 61.892 61.300 -0.036 0.000 1.436 1058 I CB 0.418 38.401 38.000 -0.028 0.000 1.348 1058 I HN 0.526 nan 8.210 nan 0.000 0.570 1059 V N 7.650 127.552 119.914 -0.020 0.000 2.513 1059 V HA 0.501 4.622 4.120 0.002 0.000 0.299 1059 V C 0.351 176.440 176.094 -0.008 0.000 1.035 1059 V CA -0.911 61.381 62.300 -0.014 0.000 0.889 1059 V CB 1.738 33.552 31.823 -0.015 0.000 0.988 1059 V HN 0.909 nan 8.190 nan 0.000 0.440 1060 R N 4.271 124.768 120.500 -0.004 0.000 2.774 1060 R HA 0.388 4.730 4.340 0.002 0.000 0.269 1060 R C 0.268 176.568 176.300 -0.000 0.000 1.068 1060 R CA -0.165 55.935 56.100 0.000 0.000 1.180 1060 R CB 0.028 30.329 30.300 0.001 0.000 1.077 1060 R HN 0.657 nan 8.270 nan 0.000 0.513 1061 S N 2.263 117.966 115.700 0.004 0.000 2.552 1061 S HA 0.106 4.577 4.470 0.002 0.000 0.289 1061 S C -1.890 172.705 174.600 -0.008 0.000 1.304 1061 S CA -0.781 57.419 58.200 -0.000 0.000 1.063 1061 S CB 0.326 63.528 63.200 0.003 0.000 0.848 1061 S HN 0.543 nan 8.310 nan 0.000 0.499 1062 P HA 0.092 nan 4.420 nan 0.000 0.271 1062 P C -0.471 176.814 177.300 -0.024 0.000 1.218 1062 P CA -0.454 62.636 63.100 -0.016 0.000 0.780 1062 P CB 0.349 32.039 31.700 -0.017 0.000 0.901 1063 N N 2.931 121.616 118.700 -0.024 0.000 2.968 1063 N HA 0.063 4.804 4.740 0.002 0.000 0.271 1063 N C 0.941 176.427 175.510 -0.040 0.000 1.174 1063 N CA -0.078 52.953 53.050 -0.032 0.000 1.096 1063 N CB -0.304 38.168 38.487 -0.025 0.000 1.403 1063 N HN 0.169 nan 8.380 nan 0.000 0.522 1064 M N 0.240 119.809 119.600 -0.052 0.000 2.374 1064 M HA 0.049 4.530 4.480 0.002 0.000 0.264 1064 M C 1.962 178.218 176.300 -0.073 0.000 1.067 1064 M CA 0.459 55.723 55.300 -0.060 0.000 1.103 1064 M CB -1.285 31.273 32.600 -0.070 0.000 1.402 1064 M HN 0.478 nan 8.290 nan 0.000 0.444 1065 G N 1.093 109.846 108.800 -0.078 0.000 2.485 1065 G HA2 -0.245 3.716 3.960 0.002 0.000 0.221 1065 G HA3 -0.245 3.716 3.960 0.002 0.000 0.221 1065 G C 1.372 176.233 174.900 -0.065 0.000 1.115 1065 G CA 0.870 45.921 45.100 -0.082 0.000 0.751 1065 G HN 0.431 nan 8.290 nan 0.000 0.567 1066 N N -0.299 118.371 118.700 -0.050 0.000 2.398 1066 N HA 0.090 4.832 4.740 0.002 0.000 0.188 1066 N C 0.435 175.926 175.510 -0.032 0.000 1.122 1066 N CA -0.278 52.750 53.050 -0.037 0.000 0.866 1066 N CB 0.173 38.644 38.487 -0.027 0.000 0.970 1066 N HN 0.256 nan 8.380 nan 0.000 0.462 1067 L N 1.521 122.719 121.223 -0.042 0.000 2.513 1067 L HA -0.056 4.285 4.340 0.002 0.000 0.272 1067 L C 1.410 178.263 176.870 -0.029 0.000 1.187 1067 L CA 0.274 55.095 54.840 -0.032 0.000 0.895 1067 L CB 0.695 42.724 42.059 -0.050 0.000 1.147 1067 L HN -0.139 nan 8.230 nan 0.000 0.483 1068 R N 3.043 123.540 120.500 -0.004 0.000 2.200 1068 R HA 0.224 4.565 4.340 0.002 0.000 0.208 1068 R C 1.429 177.733 176.300 0.008 0.000 1.033 1068 R CA 0.531 56.632 56.100 0.001 0.000 1.000 1068 R CB -1.160 29.147 30.300 0.013 0.000 0.906 1068 R HN 1.203 nan 8.270 nan 0.000 0.462 1069 G N 1.021 109.838 108.800 0.028 0.000 2.160 1069 G HA2 -0.312 3.649 3.960 0.002 0.000 0.244 1069 G HA3 -0.312 3.649 3.960 0.002 0.000 0.244 1069 G C -0.008 174.996 174.900 0.175 0.000 1.022 1069 G CA 0.444 45.568 45.100 0.039 0.000 0.741 1069 G HN 0.483 nan 8.290 nan 0.000 0.508 1070 K N 0.346 120.859 120.400 0.189 0.000 2.293 1070 K HA 0.571 4.892 4.320 0.002 0.000 0.267 1070 K C 0.288 176.954 176.600 0.111 0.000 1.010 1070 K CA -1.125 55.246 56.287 0.139 0.000 0.875 1070 K CB 0.747 33.282 32.500 0.057 0.000 1.106 1070 K HN 0.207 nan 8.250 nan 0.000 0.450 1071 L N 7.274 128.498 121.223 0.002 0.000 2.500 1071 L HA 0.092 4.433 4.340 0.002 0.000 0.272 1071 L C 0.680 177.391 176.870 -0.265 0.000 1.149 1071 L CA 0.608 55.187 54.840 -0.434 0.000 0.897 1071 L CB 0.227 42.024 42.059 -0.438 0.000 1.178 1071 L HN 0.774 nan 8.230 nan 0.000 0.473 1072 I N 2.473 122.882 120.570 -0.268 0.000 3.941 1072 I HA 0.657 4.828 4.170 0.002 0.000 0.321 1072 I C 0.513 176.546 176.117 -0.140 0.000 1.284 1072 I CA 0.249 61.467 61.300 -0.137 0.000 1.226 1072 I CB 0.129 38.093 38.000 -0.059 0.000 1.045 1072 I HN 0.625 nan 8.210 nan 0.000 0.420 1073 A N 0.260 122.936 122.820 -0.241 0.000 2.594 1073 A HA 0.727 5.048 4.320 0.002 0.000 0.296 1073 A C -0.732 176.649 177.584 -0.338 0.000 1.056 1073 A CA -0.357 51.523 52.037 -0.262 0.000 0.693 1073 A CB 1.195 20.137 19.000 -0.095 0.000 1.278 1073 A HN 0.072 nan 8.150 nan 0.000 0.408 1074 T N 1.964 116.292 114.554 -0.376 0.000 2.848 1074 T HA 0.638 4.989 4.350 0.002 0.000 0.285 1074 T C -0.882 173.628 174.700 -0.318 0.000 0.995 1074 T CA -0.250 61.664 62.100 -0.310 0.000 0.970 1074 T CB 0.760 69.477 68.868 -0.252 0.000 0.976 1074 T HN 0.508 nan 8.240 nan 0.000 0.441 1075 L N 4.415 125.481 121.223 -0.261 0.000 2.325 1075 L HA 0.504 4.846 4.340 0.002 0.000 0.281 1075 L C 1.203 177.994 176.870 -0.133 0.000 1.004 1075 L CA -0.713 54.005 54.840 -0.203 0.000 0.823 1075 L CB 1.504 43.356 42.059 -0.345 0.000 1.236 1075 L HN 0.751 nan 8.230 nan 0.000 0.415 1076 M N -0.407 119.170 119.600 -0.039 0.000 2.428 1076 M HA 0.201 4.683 4.480 0.002 0.000 0.239 1076 M C 1.218 177.560 176.300 0.071 0.000 1.121 1076 M CA 0.507 55.805 55.300 -0.004 0.000 1.019 1076 M CB 0.103 32.696 32.600 -0.013 0.000 1.485 1076 M HN 0.670 nan 8.290 nan 0.000 0.484 1077 E N 1.861 122.165 120.200 0.174 0.000 2.130 1077 E HA -0.202 4.150 4.350 0.002 0.000 0.196 1077 E C 1.274 177.984 176.600 0.183 0.000 0.998 1077 E CA 1.467 58.006 56.400 0.231 0.000 0.806 1077 E CB 0.047 29.997 29.700 0.416 0.000 0.738 1077 E HN 0.655 nan 8.360 nan 0.000 0.459 1078 N N 0.965 119.780 118.700 0.192 0.000 2.494 1078 N HA -0.055 4.686 4.740 0.002 0.000 0.182 1078 N C -0.256 175.298 175.510 0.074 0.000 1.076 1078 N CA 0.391 53.523 53.050 0.137 0.000 0.908 1078 N CB 0.103 38.673 38.487 0.138 0.000 0.967 1078 N HN 0.307 nan 8.380 nan 0.000 0.449 1079 E N 1.312 121.545 120.200 0.054 0.000 2.413 1079 E HA -0.013 4.338 4.350 0.002 0.000 0.263 1079 E C -1.582 175.036 176.600 0.030 0.000 1.015 1079 E CA -0.997 55.420 56.400 0.029 0.000 0.916 1079 E CB 0.639 30.349 29.700 0.016 0.000 0.947 1079 E HN 0.195 nan 8.360 nan 0.000 0.440 1080 P HA 0.080 nan 4.420 nan 0.000 0.263 1080 P C -0.833 176.476 177.300 0.015 0.000 1.448 1080 P CA -0.088 63.020 63.100 0.014 0.000 0.983 1080 P CB 0.408 32.114 31.700 0.010 0.000 1.481 1081 N N 0.655 119.369 118.700 0.025 0.000 2.488 1081 N HA 0.054 4.795 4.740 0.002 0.000 0.274 1081 N C 0.177 175.703 175.510 0.027 0.000 1.111 1081 N CA 0.090 53.156 53.050 0.027 0.000 0.974 1081 N CB 0.966 39.476 38.487 0.037 0.000 1.089 1081 N HN -0.002 nan 8.380 nan 0.000 0.465 1082 S N 1.884 117.598 115.700 0.022 0.000 2.549 1082 S HA 0.140 4.612 4.470 0.002 0.000 0.286 1082 S C 0.358 174.976 174.600 0.031 0.000 1.314 1082 S CA -0.551 57.660 58.200 0.020 0.000 1.062 1082 S CB -0.069 63.142 63.200 0.019 0.000 0.865 1082 S HN 0.329 nan 8.310 nan 0.000 0.498 1083 I N 5.296 125.882 120.570 0.026 0.000 2.322 1083 I HA 0.121 4.292 4.170 0.002 0.000 0.292 1083 I C 1.625 177.763 176.117 0.035 0.000 1.060 1083 I CA -0.275 61.047 61.300 0.037 0.000 1.309 1083 I CB 1.042 39.056 38.000 0.023 0.000 1.415 1083 I HN 0.850 nan 8.210 nan 0.000 0.492 1084 T N 0.358 114.940 114.554 0.047 0.000 3.051 1084 T HA 0.084 4.435 4.350 0.002 0.000 0.255 1084 T C 0.698 175.430 174.700 0.055 0.000 1.085 1084 T CA -0.081 62.049 62.100 0.050 0.000 1.109 1084 T CB 0.309 69.211 68.868 0.057 0.000 0.921 1084 T HN 0.463 nan 8.240 nan 0.000 0.488 1085 S N 0.071 115.804 115.700 0.055 0.000 2.547 1085 S HA 0.630 5.101 4.470 0.002 0.000 0.270 1085 S C -1.424 173.199 174.600 0.038 0.000 1.150 1085 S CA -0.352 57.880 58.200 0.053 0.000 0.850 1085 S CB 1.699 64.942 63.200 0.071 0.000 1.118 1085 S HN 0.818 nan 8.310 nan 0.000 0.461 1086 S N 1.727 117.439 115.700 0.021 0.000 2.596 1086 S HA 0.974 5.446 4.470 0.002 0.000 0.270 1086 S C -0.844 173.745 174.600 -0.018 0.000 1.155 1086 S CA -0.235 57.963 58.200 -0.004 0.000 0.827 1086 S CB 1.253 64.445 63.200 -0.013 0.000 1.130 1086 S HN 1.761 nan 8.310 nan 0.000 0.467 1087 A N 0.438 123.227 122.820 -0.051 0.000 2.610 1087 A HA 0.834 5.155 4.320 0.002 0.000 0.291 1087 A C -1.582 175.952 177.584 -0.083 0.000 1.086 1087 A CA -0.735 51.267 52.037 -0.058 0.000 0.677 1087 A CB 1.366 20.323 19.000 -0.071 0.000 1.278 1087 A HN 1.367 nan 8.150 nan 0.000 0.414 1088 V N 0.544 120.406 119.914 -0.086 0.000 2.735 1088 V HA 0.679 4.800 4.120 0.002 0.000 0.310 1088 V C 0.184 176.160 176.094 -0.197 0.000 1.061 1088 V CA -0.480 61.742 62.300 -0.131 0.000 0.913 1088 V CB 2.031 33.803 31.823 -0.084 0.000 1.005 1088 V HN 0.991 nan 8.190 nan 0.000 0.428 1089 S N 6.537 121.993 115.700 -0.407 0.000 2.420 1089 S HA 0.548 5.020 4.470 0.002 0.000 0.313 1089 S C -2.244 172.150 174.600 -0.343 0.000 1.079 1089 S CA -1.275 56.643 58.200 -0.470 0.000 1.104 1089 S CB 0.936 63.522 63.200 -1.025 0.000 0.969 1089 S HN 0.618 nan 8.310 nan 0.000 0.471 1090 P HA 0.711 nan 4.420 nan 0.000 0.278 1090 P C 0.426 177.692 177.300 -0.057 0.000 1.266 1090 P CA 0.016 63.061 63.100 -0.091 0.000 0.807 1090 P CB 1.114 32.781 31.700 -0.054 0.000 1.094 1091 G N -1.234 107.551 108.800 -0.026 0.000 2.278 1091 G HA2 0.214 4.175 3.960 0.002 0.000 0.265 1091 G HA3 0.214 4.175 3.960 0.002 0.000 0.265 1091 G C 0.779 175.682 174.900 0.006 0.000 1.329 1091 G CA 0.327 45.423 45.100 -0.006 0.000 1.017 1091 G HN 0.440 nan 8.290 nan 0.000 0.472 1092 E N -1.252 118.954 120.200 0.009 0.000 2.106 1092 E HA 0.416 4.767 4.350 0.002 0.000 0.192 1092 E C 1.690 178.300 176.600 0.018 0.000 0.984 1092 E CA 2.517 58.921 56.400 0.007 0.000 0.806 1092 E CB -0.639 29.060 29.700 -0.002 0.000 0.750 1092 E HN 2.248 nan 8.360 nan 0.000 0.458 1093 T N 2.421 116.995 114.554 0.033 0.000 3.155 1093 T HA 0.565 4.917 4.350 0.002 0.000 0.384 1093 T C -2.733 172.072 174.700 0.175 0.000 1.351 1093 T CA -1.807 60.346 62.100 0.089 0.000 1.198 1093 T CB 0.527 69.422 68.868 0.046 0.000 1.106 1093 T HN -0.030 nan 8.240 nan 0.000 0.564 1094 P HA 0.413 nan 4.420 nan 0.000 0.276 1094 P C -1.036 176.364 177.300 0.166 0.000 1.230 1094 P CA -0.173 62.958 63.100 0.053 0.000 0.776 1094 P CB 0.154 31.861 31.700 0.012 0.000 0.888 1095 Y N 1.046 121.400 120.300 0.090 0.000 2.499 1095 Y HA 0.718 5.270 4.550 0.002 0.000 0.347 1095 Y C -1.011 174.900 175.900 0.018 0.000 0.987 1095 Y CA -1.999 56.126 58.100 0.042 0.000 1.044 1095 Y CB 0.923 39.354 38.460 -0.048 0.000 1.245 1095 Y HN 0.169 nan 8.280 nan 0.000 0.461 1096 L N 3.715 125.064 121.223 0.210 0.000 2.307 1096 L HA 0.659 5.000 4.340 0.002 0.000 0.282 1096 L C -1.311 175.707 176.870 0.248 0.000 1.051 1096 L CA -0.646 54.279 54.840 0.142 0.000 0.804 1096 L CB 0.813 42.922 42.059 0.082 0.000 1.197 1096 L HN 0.686 nan 8.230 nan 0.000 0.431 1097 I N 3.646 124.265 120.570 0.082 0.000 2.406 1097 I HA 0.529 4.700 4.170 0.002 0.000 0.290 1097 I C -0.033 176.114 176.117 0.048 0.000 0.999 1097 I CA -0.119 61.178 61.300 -0.004 0.000 1.124 1097 I CB 1.969 39.707 38.000 -0.436 0.000 1.289 1097 I HN 0.751 nan 8.210 nan 0.000 0.441 1098 T N 1.672 116.335 114.554 0.182 0.000 2.912 1098 T HA 0.888 5.240 4.350 0.002 0.000 0.288 1098 T C -0.225 174.561 174.700 0.143 0.000 1.030 1098 T CA -0.927 61.270 62.100 0.162 0.000 1.020 1098 T CB 1.878 70.897 68.868 0.251 0.000 1.056 1098 T HN 0.764 nan 8.240 nan 0.000 0.480 1099 G N 0.769 109.636 108.800 0.111 0.000 2.566 1099 G HA2 0.581 4.542 3.960 0.002 0.000 0.311 1099 G HA3 0.581 4.542 3.960 0.002 0.000 0.311 1099 G C -0.466 174.493 174.900 0.100 0.000 1.322 1099 G CA -0.724 44.447 45.100 0.117 0.000 0.969 1099 G HN 1.089 nan 8.290 nan 0.000 0.490 1100 S N 0.175 115.933 115.700 0.097 0.000 2.718 1100 S HA 0.435 4.906 4.470 0.002 0.000 0.300 1100 S C 0.830 175.465 174.600 0.059 0.000 1.117 1100 S CA -0.095 58.150 58.200 0.075 0.000 1.002 1100 S CB 1.941 65.186 63.200 0.075 0.000 1.092 1100 S HN 0.600 nan 8.310 nan 0.000 0.542 1101 D N -0.101 120.326 120.400 0.044 0.000 2.392 1101 D HA -0.058 4.584 4.640 0.002 0.000 0.228 1101 D C 0.915 177.229 176.300 0.023 0.000 1.003 1101 D CA 0.634 54.653 54.000 0.031 0.000 0.917 1101 D CB -0.192 40.622 40.800 0.024 0.000 0.890 1101 D HN 0.485 nan 8.370 nan 0.000 0.532 1102 Q N -0.565 119.253 119.800 0.029 0.000 2.247 1102 Q HA 0.279 4.620 4.340 0.002 0.000 0.211 1102 Q C 1.307 177.322 176.000 0.026 0.000 0.861 1102 Q CA 0.526 56.341 55.803 0.021 0.000 0.949 1102 Q CB 0.966 29.715 28.738 0.019 0.000 1.115 1102 Q HN 0.475 nan 8.270 nan 0.000 0.507 1103 G N 0.547 109.374 108.800 0.044 0.000 2.141 1103 G HA2 -0.231 3.731 3.960 0.002 0.000 0.231 1103 G HA3 -0.231 3.731 3.960 0.002 0.000 0.231 1103 G C 0.075 175.027 174.900 0.088 0.000 0.984 1103 G CA 0.145 45.283 45.100 0.063 0.000 0.660 1103 G HN 0.196 nan 8.290 nan 0.000 0.525 1104 V N 2.643 122.605 119.914 0.081 0.000 2.432 1104 V HA 0.476 4.597 4.120 0.002 0.000 0.271 1104 V C 0.702 176.875 176.094 0.131 0.000 1.046 1104 V CA -0.629 61.725 62.300 0.089 0.000 0.945 1104 V CB 1.416 33.276 31.823 0.062 0.000 0.992 1104 V HN 0.251 nan 8.190 nan 0.000 0.471 1105 I N 5.521 126.195 120.570 0.174 0.000 2.336 1105 I HA 0.494 4.666 4.170 0.002 0.000 0.292 1105 I C 0.121 176.313 176.117 0.125 0.000 0.991 1105 I CA -0.406 61.012 61.300 0.197 0.000 1.227 1105 I CB 1.548 39.733 38.000 0.309 0.000 1.366 1105 I HN 0.603 nan 8.210 nan 0.000 0.466 1106 K N 5.911 126.359 120.400 0.081 0.000 2.318 1106 K HA 0.644 4.965 4.320 0.002 0.000 0.249 1106 K C -1.055 175.436 176.600 -0.181 0.000 0.942 1106 K CA -0.774 55.437 56.287 -0.126 0.000 0.808 1106 K CB 2.849 35.194 32.500 -0.258 0.000 1.189 1106 K HN 0.312 nan 8.250 nan 0.000 0.428 1107 I N 2.006 122.338 120.570 -0.396 0.000 2.404 1107 I HA 0.340 4.511 4.170 0.002 0.000 0.293 1107 I C -1.095 174.685 176.117 -0.562 0.000 0.992 1107 I CA -0.741 60.349 61.300 -0.351 0.000 1.149 1107 I CB 0.996 38.722 38.000 -0.457 0.000 1.315 1107 I HN 0.558 nan 8.210 nan 0.000 0.446 1108 W N 4.423 125.608 121.300 -0.192 0.000 2.600 1108 W HA 0.355 5.016 4.660 0.002 0.000 0.325 1108 W C 0.443 176.886 176.519 -0.127 0.000 1.034 1108 W CA -0.579 56.687 57.345 -0.131 0.000 1.226 1108 W CB 0.699 30.132 29.460 -0.044 0.000 1.379 1108 W HN 0.361 nan 8.180 nan 0.000 0.466 1109 N N 3.757 122.500 118.700 0.072 0.000 2.402 1109 N HA 0.089 4.831 4.740 0.002 0.000 0.259 1109 N C 0.667 176.286 175.510 0.181 0.000 1.167 1109 N CA 0.237 53.376 53.050 0.148 0.000 0.949 1109 N CB 0.685 39.301 38.487 0.214 0.000 1.212 1109 N HN 0.610 nan 8.380 nan 0.000 0.493 1110 L N 2.347 123.678 121.223 0.180 0.000 2.046 1110 L HA -0.198 4.144 4.340 0.002 0.000 0.208 1110 L C 2.445 179.374 176.870 0.098 0.000 1.077 1110 L CA 0.978 55.894 54.840 0.127 0.000 0.747 1110 L CB -0.414 41.702 42.059 0.095 0.000 0.896 1110 L HN 0.395 nan 8.230 nan 0.000 0.432 1111 K N 0.069 120.528 120.400 0.099 0.000 2.026 1111 K HA -0.237 4.084 4.320 0.002 0.000 0.208 1111 K C 1.987 178.618 176.600 0.051 0.000 1.048 1111 K CA 1.840 58.167 56.287 0.066 0.000 0.929 1111 K CB -0.261 32.276 32.500 0.061 0.000 0.713 1111 K HN 0.491 nan 8.250 nan 0.000 0.439 1112 E N -0.401 119.838 120.200 0.065 0.000 2.118 1112 E HA -0.147 4.205 4.350 0.002 0.000 0.195 1112 E C 2.053 178.653 176.600 -0.001 0.000 0.992 1112 E CA 1.691 58.111 56.400 0.033 0.000 0.804 1112 E CB -0.194 29.538 29.700 0.053 0.000 0.741 1112 E HN 0.524 nan 8.360 nan 0.000 0.458 1113 I N 0.709 121.304 120.570 0.043 0.000 2.142 1113 I HA -0.284 3.887 4.170 0.002 0.000 0.240 1113 I C 2.150 178.285 176.117 0.029 0.000 1.078 1113 I CA 0.610 61.935 61.300 0.042 0.000 1.343 1113 I CB -0.191 37.897 38.000 0.146 0.000 1.046 1113 I HN 0.218 nan 8.210 nan 0.000 0.405 1114 I N 0.057 120.654 120.570 0.046 0.000 2.202 1114 I HA -0.182 3.989 4.170 0.002 0.000 0.242 1114 I C 2.433 178.560 176.117 0.016 0.000 1.091 1114 I CA 1.579 62.903 61.300 0.040 0.000 1.368 1114 I CB -1.070 36.951 38.000 0.034 0.000 1.058 1114 I HN 0.052 nan 8.210 nan 0.000 0.410 1115 V N 0.507 120.423 119.914 0.002 0.000 2.326 1115 V HA 0.073 4.195 4.120 0.002 0.000 0.238 1115 V C 2.430 178.505 176.094 -0.033 0.000 1.038 1115 V CA 1.600 63.895 62.300 -0.008 0.000 1.032 1115 V CB -1.176 30.646 31.823 -0.002 0.000 0.675 1115 V HN 0.436 nan 8.190 nan 0.000 0.467 1116 G N -1.093 107.677 108.800 -0.049 0.000 2.679 1116 G HA2 -0.106 3.855 3.960 0.002 0.000 0.212 1116 G HA3 -0.106 3.855 3.960 0.002 0.000 0.212 1116 G C 0.554 175.359 174.900 -0.158 0.000 1.137 1116 G CA 0.439 45.492 45.100 -0.079 0.000 0.787 1116 G HN 0.657 nan 8.290 nan 0.000 0.534 1117 E N -1.192 118.874 120.200 -0.223 0.000 2.328 1117 E HA -0.166 4.185 4.350 0.002 0.000 0.233 1117 E C -0.498 175.612 176.600 -0.816 0.000 1.219 1117 E CA 0.086 56.172 56.400 -0.525 0.000 0.717 1117 E CB -1.586 27.947 29.700 -0.278 0.000 1.210 1117 E HN 0.269 nan 8.360 nan 0.000 0.381 1118 V N 1.501 121.096 119.914 -0.531 0.000 2.334 1118 V HA 0.088 4.209 4.120 0.002 0.000 0.267 1118 V C 0.381 176.316 176.094 -0.265 0.000 1.040 1118 V CA -0.185 61.908 62.300 -0.346 0.000 0.866 1118 V CB 0.163 31.911 31.823 -0.125 0.000 1.019 1118 V HN 0.199 nan 8.190 nan 0.000 0.468 1119 Y N 1.375 121.727 120.300 0.087 0.000 2.461 1119 Y HA 0.252 4.804 4.550 0.003 0.000 0.277 1119 Y C 1.429 177.470 175.900 0.235 0.000 1.182 1119 Y CA -0.267 57.913 58.100 0.133 0.000 1.276 1119 Y CB 0.115 38.622 38.460 0.078 0.000 1.087 1119 Y HN 0.503 nan 8.280 nan 0.000 0.519 1120 S N 0.062 115.911 115.700 0.248 0.000 2.616 1120 S HA 0.343 4.815 4.470 0.002 0.000 0.277 1120 S C 0.309 174.917 174.600 0.012 0.000 1.234 1120 S CA -0.851 57.441 58.200 0.154 0.000 1.028 1120 S CB 0.753 63.978 63.200 0.040 0.000 0.988 1120 S HN 0.382 nan 8.310 nan 0.000 0.522 1121 S N 1.666 117.105 115.700 -0.434 0.000 2.584 1121 S HA 0.165 4.636 4.470 0.002 0.000 0.270 1121 S C 0.893 175.233 174.600 -0.434 0.000 1.346 1121 S CA -0.598 57.045 58.200 -0.929 0.000 1.018 1121 S CB 0.839 63.205 63.200 -1.390 0.000 0.899 1121 S HN 0.544 nan 8.310 nan 0.000 0.542 1122 S N 1.068 116.520 115.700 -0.414 0.000 2.439 1122 S HA 0.317 4.788 4.470 0.002 0.000 0.224 1122 S C 0.287 174.771 174.600 -0.192 0.000 1.029 1122 S CA 0.101 58.166 58.200 -0.225 0.000 0.946 1122 S CB -0.493 62.581 63.200 -0.209 0.000 0.797 1122 S HN 0.622 nan 8.310 nan 0.000 0.504 1123 L N 0.557 121.607 121.223 -0.287 0.000 2.466 1123 L HA 0.510 4.851 4.340 0.002 0.000 0.258 1123 L C -1.118 175.644 176.870 -0.181 0.000 0.973 1123 L CA -0.472 54.270 54.840 -0.165 0.000 0.826 1123 L CB 2.576 44.575 42.059 -0.101 0.000 1.372 1123 L HN -0.135 nan 8.230 nan 0.000 0.409 1124 T N 0.471 114.979 114.554 -0.076 0.000 2.886 1124 T HA 0.510 4.861 4.350 0.002 0.000 0.292 1124 T C -1.767 172.976 174.700 0.071 0.000 1.012 1124 T CA -0.528 61.550 62.100 -0.037 0.000 0.982 1124 T CB 1.701 70.527 68.868 -0.069 0.000 1.018 1124 T HN 0.416 nan 8.240 nan 0.000 0.451 1125 Y N 2.082 122.375 120.300 -0.011 0.000 2.373 1125 Y HA 0.500 5.051 4.550 0.002 0.000 0.336 1125 Y C -1.289 174.621 175.900 0.016 0.000 0.979 1125 Y CA -0.932 57.173 58.100 0.008 0.000 1.080 1125 Y CB 1.468 39.947 38.460 0.030 0.000 1.190 1125 Y HN 0.532 nan 8.280 nan 0.000 0.446 1126 D N 4.262 124.403 120.400 -0.432 0.000 2.329 1126 D HA 0.254 4.895 4.640 0.002 0.000 0.232 1126 D C -0.180 176.004 176.300 -0.192 0.000 1.088 1126 D CA -0.303 53.573 54.000 -0.206 0.000 0.835 1126 D CB 1.121 41.814 40.800 -0.179 0.000 1.078 1126 D HN 0.725 nan 8.370 nan 0.000 0.495 1127 C N 1.435 120.772 119.300 0.062 0.000 2.594 1127 C HA 0.068 4.529 4.460 0.002 0.000 0.265 1127 C C 1.422 176.435 174.990 0.038 0.000 1.351 1127 C CA 0.130 59.222 59.018 0.122 0.000 1.744 1127 C CB -1.305 26.539 27.740 0.174 0.000 1.890 1127 C HN 0.822 nan 8.230 nan 0.000 0.551 1128 S N 0.232 115.934 115.700 0.003 0.000 3.380 1128 S HA -0.186 4.285 4.470 0.002 0.000 0.300 1128 S C 0.079 174.678 174.600 -0.001 0.000 1.255 1128 S CA 1.081 59.276 58.200 -0.009 0.000 0.963 1128 S CB -1.658 61.528 63.200 -0.022 0.000 1.106 1128 S HN 0.823 nan 8.310 nan 0.000 0.629 1129 S N -0.053 115.654 115.700 0.012 0.000 2.543 1129 S HA 0.501 4.972 4.470 0.002 0.000 0.273 1129 S C -0.213 174.391 174.600 0.007 0.000 1.152 1129 S CA -0.180 58.018 58.200 -0.003 0.000 0.910 1129 S CB 1.467 64.662 63.200 -0.009 0.000 1.105 1129 S HN 0.300 nan 8.310 nan 0.000 0.465 1130 T N 3.530 118.076 114.554 -0.012 0.000 2.718 1130 T HA 0.043 4.395 4.350 0.002 0.000 0.265 1130 T C 0.334 175.046 174.700 0.021 0.000 1.014 1130 T CA 0.391 62.489 62.100 -0.002 0.000 1.172 1130 T CB -0.259 68.590 68.868 -0.032 0.000 1.007 1130 T HN 0.528 nan 8.240 nan 0.000 0.500 1131 V N 5.181 125.126 119.914 0.052 0.000 2.572 1131 V HA 0.123 4.245 4.120 0.002 0.000 0.291 1131 V C 1.702 177.845 176.094 0.081 0.000 1.039 1131 V CA 0.593 62.941 62.300 0.079 0.000 1.055 1131 V CB 1.135 33.018 31.823 0.099 0.000 0.969 1131 V HN 1.178 nan 8.190 nan 0.000 0.482 1132 T N 1.235 115.850 114.554 0.102 0.000 3.000 1132 T HA 0.233 4.584 4.350 0.002 0.000 0.248 1132 T C 0.384 175.153 174.700 0.114 0.000 1.034 1132 T CA 0.049 62.221 62.100 0.119 0.000 1.060 1132 T CB 0.351 69.323 68.868 0.174 0.000 0.983 1132 T HN 0.529 nan 8.240 nan 0.000 0.482 1133 Q N -0.161 119.708 119.800 0.115 0.000 2.352 1133 Q HA 0.611 4.952 4.340 0.002 0.000 0.270 1133 Q C -2.325 173.753 176.000 0.130 0.000 1.006 1133 Q CA -0.598 55.273 55.803 0.114 0.000 0.880 1133 Q CB 1.615 30.421 28.738 0.112 0.000 1.392 1133 Q HN 0.442 nan 8.270 nan 0.000 0.401 1134 I N 2.590 123.236 120.570 0.125 0.000 2.378 1134 I HA 0.556 4.728 4.170 0.002 0.000 0.291 1134 I C -0.722 175.481 176.117 0.144 0.000 0.992 1134 I CA -0.574 60.821 61.300 0.157 0.000 1.154 1134 I CB 2.363 40.404 38.000 0.068 0.000 1.315 1134 I HN 0.566 nan 8.210 nan 0.000 0.448 1135 T N 6.666 121.340 114.554 0.200 0.000 2.906 1135 T HA 0.392 4.743 4.350 0.002 0.000 0.302 1135 T C -0.010 174.825 174.700 0.225 0.000 1.002 1135 T CA -0.656 61.549 62.100 0.174 0.000 0.988 1135 T CB 0.966 69.926 68.868 0.154 0.000 0.972 1135 T HN 0.264 nan 8.240 nan 0.000 0.447 1136 M N 3.212 122.926 119.600 0.190 0.000 2.250 1136 M HA 0.202 4.683 4.480 0.002 0.000 0.337 1136 M C 0.229 176.662 176.300 0.223 0.000 1.161 1136 M CA -0.389 55.048 55.300 0.228 0.000 1.088 1136 M CB -0.145 32.543 32.600 0.146 0.000 1.639 1136 M HN 0.401 nan 8.290 nan 0.000 0.447 1137 I N 5.320 126.053 120.570 0.272 0.000 2.308 1137 I HA 0.219 4.390 4.170 0.002 0.000 0.293 1137 I C -1.950 174.345 176.117 0.297 0.000 1.078 1137 I CA -2.619 58.833 61.300 0.253 0.000 1.292 1137 I CB -0.039 38.119 38.000 0.263 0.000 1.423 1137 I HN 0.213 nan 8.210 nan 0.000 0.493 1138 P HA 0.024 nan 4.420 nan 0.000 0.261 1138 P C 0.143 177.526 177.300 0.139 0.000 1.183 1138 P CA 0.531 63.708 63.100 0.128 0.000 0.761 1138 P CB 0.098 31.815 31.700 0.028 0.000 0.785 1139 N N -0.465 118.254 118.700 0.033 0.000 2.782 1139 N HA -0.216 4.526 4.740 0.002 0.000 0.251 1139 N C -0.705 174.616 175.510 -0.315 0.000 1.101 1139 N CA 0.655 53.620 53.050 -0.142 0.000 0.764 1139 N CB -1.874 36.466 38.487 -0.244 0.000 1.122 1139 N HN 0.309 nan 8.380 nan 0.000 0.561 1140 F N -0.132 119.892 119.950 0.122 0.000 2.593 1140 F HA 0.343 4.871 4.527 0.001 0.000 0.320 1140 F C 0.511 176.459 175.800 0.247 0.000 1.060 1140 F CA -1.035 57.078 58.000 0.188 0.000 0.940 1140 F CB 1.027 40.166 39.000 0.231 0.000 1.268 1140 F HN -0.202 nan 8.300 nan 0.000 0.475 1141 D N 2.432 123.125 120.400 0.488 0.000 2.934 1141 D HA 0.405 5.047 4.640 0.002 0.000 0.237 1141 D C -0.422 176.154 176.300 0.461 0.000 1.158 1141 D CA 0.390 54.702 54.000 0.520 0.000 0.971 1141 D CB 0.002 41.124 40.800 0.537 0.000 1.123 1141 D HN 0.523 nan 8.370 nan 0.000 0.467 1142 A N 0.932 124.025 122.820 0.456 0.000 2.556 1142 A HA 0.792 5.113 4.320 0.002 0.000 0.294 1142 A C -1.148 176.659 177.584 0.371 0.000 1.091 1142 A CA -0.883 51.316 52.037 0.269 0.000 0.704 1142 A CB 1.443 20.562 19.000 0.198 0.000 1.300 1142 A HN 0.174 nan 8.150 nan 0.000 0.406 1143 F N -1.300 118.719 119.950 0.115 0.000 2.641 1143 F HA 0.820 5.348 4.527 0.002 0.000 0.308 1143 F C -0.107 175.722 175.800 0.048 0.000 1.105 1143 F CA -0.839 57.222 58.000 0.101 0.000 0.964 1143 F CB 1.173 40.238 39.000 0.109 0.000 1.294 1143 F HN 0.867 nan 8.300 nan 0.000 0.442 1144 A N 1.637 124.574 122.820 0.196 0.000 2.316 1144 A HA 0.791 5.112 4.320 0.002 0.000 0.284 1144 A C -1.072 176.619 177.584 0.178 0.000 1.115 1144 A CA -0.718 51.371 52.037 0.087 0.000 0.812 1144 A CB 1.122 20.170 19.000 0.080 0.000 1.064 1144 A HN 0.885 nan 8.150 nan 0.000 0.489 1145 V N 2.283 122.251 119.914 0.090 0.000 2.525 1145 V HA 0.485 4.606 4.120 0.002 0.000 0.299 1145 V C 0.078 176.221 176.094 0.083 0.000 1.034 1145 V CA -0.381 61.999 62.300 0.134 0.000 0.863 1145 V CB 1.596 33.502 31.823 0.138 0.000 0.999 1145 V HN 1.088 nan 8.190 nan 0.000 0.423 1146 S N 3.271 119.031 115.700 0.099 0.000 2.608 1146 S HA 0.911 5.382 4.470 0.002 0.000 0.291 1146 S C -0.158 174.503 174.600 0.103 0.000 1.146 1146 S CA -0.556 57.700 58.200 0.093 0.000 1.043 1146 S CB 1.894 65.157 63.200 0.105 0.000 1.037 1146 S HN 0.971 nan 8.310 nan 0.000 0.520 1147 S N 0.838 116.595 115.700 0.095 0.000 2.627 1147 S HA 0.504 4.976 4.470 0.002 0.000 0.283 1147 S C 0.243 174.856 174.600 0.022 0.000 1.127 1147 S CA -1.213 57.024 58.200 0.061 0.000 0.863 1147 S CB 1.442 64.670 63.200 0.047 0.000 1.121 1147 S HN 0.676 nan 8.310 nan 0.000 0.479 1148 K N 0.534 120.867 120.400 -0.111 0.000 2.360 1148 K HA -0.110 4.212 4.320 0.002 0.000 0.201 1148 K C 0.722 177.122 176.600 -0.333 0.000 1.046 1148 K CA 1.548 57.572 56.287 -0.439 0.000 0.945 1148 K CB -0.340 31.873 32.500 -0.478 0.000 0.750 1148 K HN 0.784 nan 8.250 nan 0.000 0.464 1149 D N -0.610 119.722 120.400 -0.114 0.000 2.363 1149 D HA -0.021 4.620 4.640 0.002 0.000 0.226 1149 D C 1.106 177.427 176.300 0.036 0.000 1.020 1149 D CA 0.834 54.809 54.000 -0.041 0.000 0.892 1149 D CB 0.060 40.849 40.800 -0.019 0.000 0.900 1149 D HN 0.257 nan 8.370 nan 0.000 0.531 1150 G N 0.309 109.166 108.800 0.095 0.000 2.195 1150 G HA2 -0.324 3.637 3.960 0.002 0.000 0.246 1150 G HA3 -0.324 3.637 3.960 0.002 0.000 0.246 1150 G C 0.131 175.096 174.900 0.110 0.000 0.984 1150 G CA 0.285 45.478 45.100 0.155 0.000 0.633 1150 G HN 0.754 nan 8.290 nan 0.000 0.525 1151 Q N 0.346 120.189 119.800 0.072 0.000 2.299 1151 Q HA 0.689 5.030 4.340 0.002 0.000 0.246 1151 Q C -0.237 175.783 176.000 0.032 0.000 0.935 1151 Q CA -0.535 55.294 55.803 0.044 0.000 0.887 1151 Q CB 0.859 29.616 28.738 0.032 0.000 1.223 1151 Q HN 0.478 nan 8.270 nan 0.000 0.439 1152 I N 4.694 125.256 120.570 -0.014 0.000 2.466 1152 I HA 0.430 4.602 4.170 0.002 0.000 0.289 1152 I C -0.312 175.760 176.117 -0.075 0.000 1.026 1152 I CA -1.067 60.205 61.300 -0.046 0.000 1.078 1152 I CB 1.616 39.545 38.000 -0.119 0.000 1.249 1152 I HN 0.735 nan 8.210 nan 0.000 0.429 1153 I N 3.629 124.157 120.570 -0.069 0.000 2.957 1153 I HA 0.753 4.924 4.170 0.002 0.000 0.310 1153 I C -1.109 174.912 176.117 -0.159 0.000 1.063 1153 I CA -1.019 60.213 61.300 -0.114 0.000 1.033 1153 I CB 2.293 40.224 38.000 -0.115 0.000 1.230 1153 I HN 0.139 nan 8.210 nan 0.000 0.447 1154 V N 4.549 124.334 119.914 -0.214 0.000 2.417 1154 V HA 0.454 4.575 4.120 0.002 0.000 0.291 1154 V C -0.085 175.740 176.094 -0.448 0.000 1.024 1154 V CA -0.503 61.625 62.300 -0.287 0.000 0.861 1154 V CB 1.619 33.316 31.823 -0.210 0.000 0.985 1154 V HN 0.508 nan 8.190 nan 0.000 0.436 1155 L N 4.399 125.210 121.223 -0.686 0.000 2.296 1155 L HA 0.566 4.907 4.340 0.002 0.000 0.286 1155 L C -0.073 176.412 176.870 -0.642 0.000 1.023 1155 L CA -0.737 53.632 54.840 -0.785 0.000 0.812 1155 L CB 1.717 43.093 42.059 -1.138 0.000 1.223 1155 L HN 0.523 nan 8.230 nan 0.000 0.421 1156 K N 2.829 122.988 120.400 -0.401 0.000 2.201 1156 K HA 0.376 4.698 4.320 0.002 0.000 0.278 1156 K C -1.010 175.544 176.600 -0.077 0.000 1.027 1156 K CA -0.329 55.832 56.287 -0.209 0.000 0.909 1156 K CB 1.441 33.811 32.500 -0.217 0.000 1.062 1156 K HN 0.278 nan 8.250 nan 0.000 0.465 1157 V N 5.400 125.370 119.914 0.094 0.000 2.368 1157 V HA 0.233 4.355 4.120 0.002 0.000 0.266 1157 V C -0.336 175.844 176.094 0.143 0.000 1.045 1157 V CA -0.703 61.702 62.300 0.174 0.000 0.899 1157 V CB 0.345 32.325 31.823 0.262 0.000 1.006 1157 V HN 0.816 nan 8.190 nan 0.000 0.470 1158 N N 4.736 123.485 118.700 0.081 0.000 2.479 1158 N HA 0.586 5.327 4.740 0.002 0.000 0.285 1158 N C -0.484 175.058 175.510 0.053 0.000 1.075 1158 N CA -0.592 52.443 53.050 -0.024 0.000 0.967 1158 N CB 0.843 39.323 38.487 -0.012 0.000 1.137 1158 N HN 0.897 nan 8.380 nan 0.000 0.472 1159 H N -0.306 118.794 119.070 0.049 0.000 2.990 1159 H HA 0.443 5.000 4.556 0.002 0.000 0.336 1159 H C -1.439 173.934 175.328 0.074 0.000 1.306 1159 H CA -0.868 55.151 56.048 -0.049 0.000 1.118 1159 H CB 1.257 30.782 29.762 -0.395 0.000 1.856 1159 H HN 0.659 nan 8.280 nan 0.000 0.538 1160 Y N -1.365 118.953 120.300 0.030 0.000 2.670 1160 Y HA 0.405 4.956 4.550 0.001 0.000 0.334 1160 Y C -1.527 174.365 175.900 -0.014 0.000 1.185 1160 Y CA -1.283 56.823 58.100 0.009 0.000 1.053 1160 Y CB 1.298 39.746 38.460 -0.020 0.000 1.298 1160 Y HN 0.447 nan 8.280 nan 0.000 0.459 1161 Q N 2.439 122.254 119.800 0.024 0.000 2.278 1161 Q HA 0.281 4.622 4.340 0.002 0.000 0.257 1161 Q C -1.422 174.563 176.000 -0.026 0.000 0.928 1161 Q CA -0.319 55.444 55.803 -0.065 0.000 0.932 1161 Q CB 1.914 30.659 28.738 0.010 0.000 1.221 1161 Q HN 0.828 nan 8.270 nan 0.000 0.434 1162 Q N 0.980 120.705 119.800 -0.125 0.000 2.290 1162 Q HA 0.357 4.698 4.340 0.002 0.000 0.269 1162 Q C -0.615 175.362 176.000 -0.039 0.000 1.016 1162 Q CA 0.342 56.123 55.803 -0.036 0.000 0.754 1162 Q CB 1.031 29.745 28.738 -0.041 0.000 1.247 1162 Q HN 0.812 nan 8.270 nan 0.000 0.451 1163 E N 1.766 121.962 120.200 -0.007 0.000 2.389 1163 E HA -0.253 4.098 4.350 0.002 0.000 0.243 1163 E C 0.117 176.705 176.600 -0.021 0.000 1.154 1163 E CA 1.022 57.416 56.400 -0.010 0.000 0.723 1163 E CB -2.774 26.921 29.700 -0.009 0.000 1.261 1163 E HN 1.035 nan 8.360 nan 0.000 0.390 1164 S N -1.831 113.855 115.700 -0.024 0.000 3.490 1164 S HA -0.185 4.286 4.470 0.002 0.000 0.301 1164 S C 0.081 174.652 174.600 -0.048 0.000 1.233 1164 S CA 1.327 59.510 58.200 -0.028 0.000 0.914 1164 S CB -0.835 62.355 63.200 -0.016 0.000 1.047 1164 S HN 1.054 nan 8.310 nan 0.000 0.602 1165 E N 0.066 120.222 120.200 -0.074 0.000 2.288 1165 E HA 0.496 4.848 4.350 0.002 0.000 0.268 1165 E C -0.097 176.395 176.600 -0.180 0.000 0.885 1165 E CA -0.789 55.551 56.400 -0.100 0.000 0.767 1165 E CB 1.878 31.533 29.700 -0.076 0.000 1.220 1165 E HN 0.090 nan 8.360 nan 0.000 0.427 1166 V N 1.758 121.536 119.914 -0.227 0.000 2.521 1166 V HA 0.287 4.408 4.120 0.002 0.000 0.286 1166 V C 0.630 176.437 176.094 -0.479 0.000 1.034 1166 V CA 0.171 62.229 62.300 -0.404 0.000 1.045 1166 V CB 0.137 31.635 31.823 -0.542 0.000 0.974 1166 V HN 0.689 nan 8.190 nan 0.000 0.480 1167 K N 4.809 124.820 120.400 -0.649 0.000 2.244 1167 K HA 0.683 5.004 4.320 0.002 0.000 0.260 1167 K C -0.848 175.420 176.600 -0.553 0.000 0.951 1167 K CA -0.609 55.318 56.287 -0.599 0.000 0.826 1167 K CB 0.939 32.933 32.500 -0.843 0.000 1.108 1167 K HN 0.455 nan 8.250 nan 0.000 0.433 1168 F N 2.314 122.194 119.950 -0.118 0.000 2.438 1168 F HA 0.286 4.816 4.527 0.005 0.000 0.356 1168 F C 1.411 177.257 175.800 0.075 0.000 1.099 1168 F CA -0.554 57.436 58.000 -0.016 0.000 1.185 1168 F CB 1.526 40.479 39.000 -0.078 0.000 1.115 1168 F HN 0.589 nan 8.300 nan 0.000 0.526 1169 L N 3.096 124.487 121.223 0.280 0.000 2.187 1169 L HA 0.245 4.587 4.340 0.002 0.000 0.197 1169 L C 0.009 176.972 176.870 0.155 0.000 1.090 1169 L CA 1.139 56.126 54.840 0.246 0.000 0.781 1169 L CB -0.204 41.988 42.059 0.222 0.000 0.956 1169 L HN 0.840 nan 8.230 nan 0.000 0.463 1170 N N -3.280 115.502 118.700 0.136 0.000 3.046 1170 N HA 0.244 4.985 4.740 0.002 0.000 0.243 1170 N C -1.631 173.934 175.510 0.092 0.000 1.452 1170 N CA -0.634 52.477 53.050 0.101 0.000 0.882 1170 N CB 0.721 39.251 38.487 0.071 0.000 1.425 1170 N HN -0.065 nan 8.380 nan 0.000 0.517 1171 C N -0.052 119.303 119.300 0.092 0.000 2.341 1171 C HA 0.679 5.140 4.460 0.002 0.000 0.338 1171 C C -0.165 174.815 174.990 -0.016 0.000 1.257 1171 C CA -0.382 58.643 59.018 0.013 0.000 1.883 1171 C CB -0.097 27.634 27.740 -0.014 0.000 2.334 1171 C HN 0.722 nan 8.230 nan 0.000 0.524 1172 E N 1.483 121.605 120.200 -0.131 0.000 2.224 1172 E HA 0.314 4.665 4.350 0.002 0.000 0.265 1172 E C -0.997 175.463 176.600 -0.232 0.000 0.878 1172 E CA -0.440 55.892 56.400 -0.113 0.000 0.759 1172 E CB 1.388 31.033 29.700 -0.092 0.000 1.164 1172 E HN 0.829 nan 8.360 nan 0.000 0.414 1173 C N 6.932 126.126 119.300 -0.176 0.000 2.624 1173 C HA 0.275 4.736 4.460 0.002 0.000 0.397 1173 C C 1.461 176.331 174.990 -0.199 0.000 1.331 1173 C CA -0.222 58.665 59.018 -0.218 0.000 1.716 1173 C CB -1.706 25.980 27.740 -0.090 0.000 2.452 1173 C HN 0.785 nan 8.230 nan 0.000 0.586 1174 I N 2.977 123.379 120.570 -0.280 0.000 4.181 1174 I HA 0.478 4.650 4.170 0.002 0.000 0.331 1174 I C 0.520 176.490 176.117 -0.246 0.000 1.312 1174 I CA 0.087 61.211 61.300 -0.294 0.000 1.146 1174 I CB -0.241 37.472 38.000 -0.478 0.000 1.074 1174 I HN 0.422 nan 8.210 nan 0.000 0.402 1175 R N 2.204 122.576 120.500 -0.213 0.000 2.740 1175 R HA 0.625 4.967 4.340 0.002 0.000 0.273 1175 R C -1.411 174.819 176.300 -0.116 0.000 0.998 1175 R CA -0.687 55.334 56.100 -0.132 0.000 0.900 1175 R CB 2.548 32.785 30.300 -0.105 0.000 1.223 1175 R HN 0.082 nan 8.270 nan 0.000 0.466 1176 K N 1.989 122.338 120.400 -0.085 0.000 2.561 1176 K HA 0.502 4.824 4.320 0.002 0.000 0.254 1176 K C -1.629 174.931 176.600 -0.067 0.000 0.942 1176 K CA -0.519 55.725 56.287 -0.072 0.000 0.818 1176 K CB 2.190 34.663 32.500 -0.045 0.000 1.306 1176 K HN 0.617 nan 8.250 nan 0.000 0.435 1177 I N 2.036 122.559 120.570 -0.078 0.000 2.994 1177 I HA 0.439 4.610 4.170 0.002 0.000 0.306 1177 I C -1.766 174.346 176.117 -0.007 0.000 1.195 1177 I CA -0.794 60.473 61.300 -0.054 0.000 1.001 1177 I CB 2.409 40.334 38.000 -0.125 0.000 1.244 1177 I HN 0.744 nan 8.210 nan 0.000 0.437 1178 N N 4.255 122.982 118.700 0.045 0.000 2.314 1178 N HA 0.436 5.177 4.740 0.002 0.000 0.294 1178 N C 0.210 175.823 175.510 0.173 0.000 1.029 1178 N CA -0.645 52.455 53.050 0.083 0.000 0.845 1178 N CB 1.684 40.207 38.487 0.060 0.000 1.321 1178 N HN 0.616 nan 8.380 nan 0.000 0.481 1179 L N 2.532 123.883 121.223 0.213 0.000 2.465 1179 L HA -0.011 4.330 4.340 0.002 0.000 0.224 1179 L C 1.736 178.803 176.870 0.327 0.000 1.145 1179 L CA 0.733 55.781 54.840 0.347 0.000 0.834 1179 L CB -0.212 41.980 42.059 0.222 0.000 0.944 1179 L HN 0.624 nan 8.230 nan 0.000 0.451 1180 K N 0.153 120.670 120.400 0.196 0.000 2.211 1180 K HA -0.167 4.154 4.320 0.002 0.000 0.204 1180 K C 1.600 178.268 176.600 0.112 0.000 1.047 1180 K CA 1.145 57.516 56.287 0.139 0.000 0.935 1180 K CB -0.209 32.345 32.500 0.090 0.000 0.728 1180 K HN 0.271 nan 8.250 nan 0.000 0.452 1181 N N 0.380 119.132 118.700 0.086 0.000 2.430 1181 N HA -0.139 4.602 4.740 0.002 0.000 0.186 1181 N C 0.878 176.279 175.510 -0.181 0.000 1.032 1181 N CA 1.090 54.098 53.050 -0.070 0.000 0.893 1181 N CB -0.164 38.225 38.487 -0.163 0.000 0.957 1181 N HN 0.172 nan 8.380 nan 0.000 0.442 1182 F N -0.886 119.092 119.950 0.046 0.000 2.765 1182 F HA 0.261 4.790 4.527 0.002 0.000 0.302 1182 F C 1.894 177.702 175.800 0.013 0.000 1.111 1182 F CA 0.261 58.278 58.000 0.029 0.000 1.359 1182 F CB 0.054 39.073 39.000 0.031 0.000 1.097 1182 F HN 0.068 nan 8.300 nan 0.000 0.577 1183 G N 0.330 109.213 108.800 0.138 0.000 2.199 1183 G HA2 -0.341 3.620 3.960 0.002 0.000 0.254 1183 G HA3 -0.341 3.620 3.960 0.002 0.000 0.254 1183 G C 1.163 176.108 174.900 0.076 0.000 0.982 1183 G CA 0.289 45.437 45.100 0.080 0.000 0.632 1183 G HN 0.410 nan 8.290 nan 0.000 0.529 1184 K N 0.024 120.481 120.400 0.095 0.000 2.399 1184 K HA 0.254 4.576 4.320 0.002 0.000 0.204 1184 K C 0.959 177.596 176.600 0.061 0.000 1.023 1184 K CA 0.114 56.437 56.287 0.060 0.000 1.127 1184 K CB 0.319 32.842 32.500 0.039 0.000 0.856 1184 K HN 0.255 nan 8.250 nan 0.000 0.514 1185 N N 2.538 121.289 118.700 0.084 0.000 2.740 1185 N HA -0.176 4.566 4.740 0.002 0.000 0.248 1185 N C -1.221 174.358 175.510 0.116 0.000 1.062 1185 N CA 0.683 53.790 53.050 0.094 0.000 0.704 1185 N CB -1.005 37.528 38.487 0.077 0.000 0.968 1185 N HN 0.370 nan 8.380 nan 0.000 0.547 1186 E N -0.277 119.987 120.200 0.106 0.000 2.349 1186 E HA 0.410 4.761 4.350 0.002 0.000 0.262 1186 E C -0.101 176.599 176.600 0.167 0.000 1.088 1186 E CA -0.451 55.987 56.400 0.064 0.000 0.899 1186 E CB 0.604 30.299 29.700 -0.009 0.000 1.044 1186 E HN 0.437 nan 8.360 nan 0.000 0.420 1187 Y N -1.725 118.589 120.300 0.024 0.000 2.545 1187 Y HA 0.703 5.254 4.550 0.002 0.000 0.348 1187 Y C -0.841 175.072 175.900 0.021 0.000 1.002 1187 Y CA -1.609 56.509 58.100 0.030 0.000 1.039 1187 Y CB 0.872 39.349 38.460 0.029 0.000 1.271 1187 Y HN 0.437 nan 8.280 nan 0.000 0.467 1188 A N 1.829 124.734 122.820 0.141 0.000 2.409 1188 A HA 0.471 4.793 4.320 0.002 0.000 0.262 1188 A C 0.841 178.486 177.584 0.102 0.000 1.113 1188 A CA 0.038 52.109 52.037 0.057 0.000 0.790 1188 A CB 0.221 19.275 19.000 0.089 0.000 1.046 1188 A HN 1.470 nan 8.150 nan 0.000 0.496 1189 V N -0.159 119.753 119.914 -0.004 0.000 3.263 1189 V HA 0.388 4.509 4.120 0.002 0.000 0.248 1189 V C 0.525 176.660 176.094 0.069 0.000 1.145 1189 V CA 0.265 62.598 62.300 0.056 0.000 1.107 1189 V CB -0.484 31.326 31.823 -0.021 0.000 0.797 1189 V HN 0.687 nan 8.190 nan 0.000 0.467 1190 R N 0.165 120.691 120.500 0.044 0.000 2.668 1190 R HA 0.806 5.148 4.340 0.002 0.000 0.272 1190 R C -1.207 175.128 176.300 0.058 0.000 1.019 1190 R CA -0.434 55.700 56.100 0.057 0.000 0.894 1190 R CB 2.124 32.447 30.300 0.039 0.000 1.228 1190 R HN 0.344 nan 8.270 nan 0.000 0.460 1191 M N 1.695 121.341 119.600 0.077 0.000 2.575 1191 M HA 0.590 5.071 4.480 0.002 0.000 0.284 1191 M C -0.579 175.776 176.300 0.092 0.000 1.253 1191 M CA -1.027 54.324 55.300 0.085 0.000 0.861 1191 M CB 2.850 35.510 32.600 0.101 0.000 1.733 1191 M HN 0.129 nan 8.290 nan 0.000 0.462 1192 R N 0.677 121.234 120.500 0.096 0.000 2.725 1192 R HA 0.885 5.227 4.340 0.002 0.000 0.277 1192 R C -1.499 174.882 176.300 0.135 0.000 0.987 1192 R CA -0.822 55.344 56.100 0.111 0.000 0.901 1192 R CB 2.286 32.641 30.300 0.092 0.000 1.207 1192 R HN 0.891 nan 8.270 nan 0.000 0.463 1193 A N 1.764 124.678 122.820 0.156 0.000 2.380 1193 A HA 0.844 5.165 4.320 0.002 0.000 0.315 1193 A C -1.590 176.137 177.584 0.239 0.000 1.101 1193 A CA -0.597 51.545 52.037 0.174 0.000 0.771 1193 A CB 1.501 20.589 19.000 0.146 0.000 1.287 1193 A HN 0.593 nan 8.150 nan 0.000 0.436 1194 F N 1.638 121.630 119.950 0.070 0.000 2.607 1194 F HA 0.594 5.123 4.527 0.003 0.000 0.322 1194 F C -1.521 174.317 175.800 0.062 0.000 1.176 1194 F CA -0.410 57.631 58.000 0.068 0.000 0.977 1194 F CB 1.905 40.941 39.000 0.059 0.000 1.242 1194 F HN 0.422 nan 8.300 nan 0.000 0.465 1195 V N 6.418 126.069 119.914 -0.439 0.000 2.623 1195 V HA 0.510 4.631 4.120 0.002 0.000 0.304 1195 V C -1.018 174.813 176.094 -0.439 0.000 1.054 1195 V CA -0.573 61.578 62.300 -0.248 0.000 0.882 1195 V CB 1.721 33.528 31.823 -0.028 0.000 1.002 1195 V HN 0.879 nan 8.190 nan 0.000 0.424 1196 N N 2.986 121.564 118.700 -0.204 0.000 3.513 1196 N HA 0.359 5.101 4.740 0.002 0.000 0.351 1196 N C 0.390 175.916 175.510 0.027 0.000 1.624 1196 N CA -0.629 52.364 53.050 -0.095 0.000 0.712 1196 N CB 0.769 39.240 38.487 -0.027 0.000 2.106 1196 N HN 0.365 nan 8.380 nan 0.000 0.649 1197 E N -1.679 118.551 120.200 0.051 0.000 2.358 1197 E HA 0.093 4.444 4.350 0.002 0.000 0.195 1197 E C 1.387 178.032 176.600 0.075 0.000 1.010 1197 E CA 1.545 57.982 56.400 0.062 0.000 0.856 1197 E CB -0.311 29.420 29.700 0.052 0.000 0.795 1197 E HN 0.770 nan 8.360 nan 0.000 0.504 1198 E N 1.734 121.993 120.200 0.098 0.000 2.251 1198 E HA 0.139 4.491 4.350 0.002 0.000 0.194 1198 E C 0.643 177.311 176.600 0.113 0.000 0.964 1198 E CA 0.496 56.957 56.400 0.101 0.000 0.868 1198 E CB -0.001 29.764 29.700 0.109 0.000 0.828 1198 E HN 0.105 nan 8.360 nan 0.000 0.481 1199 K N -0.797 119.701 120.400 0.164 0.000 2.385 1199 K HA 0.667 4.989 4.320 0.002 0.000 0.248 1199 K C -1.181 175.519 176.600 0.166 0.000 0.955 1199 K CA -0.719 55.683 56.287 0.192 0.000 0.816 1199 K CB 2.231 34.919 32.500 0.313 0.000 1.250 1199 K HN 0.071 nan 8.250 nan 0.000 0.434 1200 S N 2.424 118.197 115.700 0.123 0.000 2.488 1200 S HA 0.351 4.822 4.470 0.002 0.000 0.151 1200 S C -1.423 173.215 174.600 0.064 0.000 1.401 1200 S CA -0.559 57.662 58.200 0.036 0.000 1.221 1200 S CB -0.032 63.128 63.200 -0.068 0.000 1.407 1200 S HN 0.402 nan 8.310 nan 0.000 0.406 1201 L N 2.893 124.202 121.223 0.143 0.000 2.346 1201 L HA 0.702 5.043 4.340 0.002 0.000 0.276 1201 L C -0.933 176.030 176.870 0.155 0.000 1.006 1201 L CA -1.077 53.850 54.840 0.146 0.000 0.817 1201 L CB 1.886 44.034 42.059 0.149 0.000 1.272 1201 L HN 0.339 nan 8.230 nan 0.000 0.421 1202 L N 3.940 125.266 121.223 0.170 0.000 2.325 1202 L HA 0.553 4.894 4.340 0.002 0.000 0.281 1202 L C -0.783 176.218 176.870 0.219 0.000 1.004 1202 L CA -0.316 54.637 54.840 0.188 0.000 0.823 1202 L CB 1.828 43.991 42.059 0.173 0.000 1.236 1202 L HN 0.243 nan 8.230 nan 0.000 0.415 1203 V N 5.059 125.063 119.914 0.150 0.000 2.347 1203 V HA 0.790 4.911 4.120 0.002 0.000 0.280 1203 V C 0.231 176.381 176.094 0.093 0.000 1.021 1203 V CA -0.421 61.932 62.300 0.089 0.000 0.847 1203 V CB 1.109 32.954 31.823 0.037 0.000 0.990 1203 V HN 0.914 nan 8.190 nan 0.000 0.444 1204 A N 5.545 128.423 122.820 0.096 0.000 2.287 1204 A HA 0.767 5.089 4.320 0.002 0.000 0.317 1204 A C -0.822 176.750 177.584 -0.020 0.000 1.220 1204 A CA -0.560 51.526 52.037 0.082 0.000 0.835 1204 A CB 0.982 20.103 19.000 0.202 0.000 1.180 1204 A HN 0.824 nan 8.150 nan 0.000 0.500 1205 L N 3.843 125.045 121.223 -0.035 0.000 2.319 1205 L HA 0.518 4.860 4.340 0.002 0.000 0.280 1205 L C 0.843 177.651 176.870 -0.104 0.000 1.099 1205 L CA 0.565 55.355 54.840 -0.083 0.000 0.828 1205 L CB 0.725 42.742 42.059 -0.069 0.000 1.150 1205 L HN 0.796 nan 8.230 nan 0.000 0.442 1206 T N 1.066 115.528 114.554 -0.154 0.000 2.881 1206 T HA 0.248 4.599 4.350 0.002 0.000 0.278 1206 T C 1.195 175.727 174.700 -0.281 0.000 0.982 1206 T CA -0.170 61.802 62.100 -0.213 0.000 0.989 1206 T CB 0.692 69.441 68.868 -0.199 0.000 1.058 1206 T HN 0.717 nan 8.240 nan 0.000 0.529 1207 N N 1.021 119.439 118.700 -0.469 0.000 2.519 1207 N HA -0.089 4.653 4.740 0.002 0.000 0.186 1207 N C 1.094 176.450 175.510 -0.257 0.000 1.062 1207 N CA 0.731 53.497 53.050 -0.473 0.000 0.910 1207 N CB -0.499 37.473 38.487 -0.858 0.000 0.958 1207 N HN 0.704 nan 8.380 nan 0.000 0.445 1208 L N 0.360 121.456 121.223 -0.212 0.000 2.791 1208 L HA 0.212 4.553 4.340 0.002 0.000 0.239 1208 L C 0.135 176.920 176.870 -0.142 0.000 1.203 1208 L CA -0.307 54.446 54.840 -0.145 0.000 1.002 1208 L CB -0.289 41.701 42.059 -0.115 0.000 1.295 1208 L HN -0.085 nan 8.230 nan 0.000 0.504 1209 S N 0.087 115.695 115.700 -0.153 0.000 3.473 1209 S HA -0.214 4.257 4.470 0.002 0.000 0.339 1209 S C 0.539 175.037 174.600 -0.169 0.000 1.148 1209 S CA 0.911 59.024 58.200 -0.145 0.000 0.969 1209 S CB -1.169 61.960 63.200 -0.118 0.000 0.936 1209 S HN 0.564 nan 8.310 nan 0.000 0.530 1210 R N -0.012 120.376 120.500 -0.187 0.000 2.536 1210 R HA 0.655 4.996 4.340 0.002 0.000 0.279 1210 R C -0.340 175.820 176.300 -0.233 0.000 1.001 1210 R CA -0.667 55.299 56.100 -0.225 0.000 1.027 1210 R CB 1.061 31.226 30.300 -0.226 0.000 1.096 1210 R HN 0.105 nan 8.270 nan 0.000 0.502 1211 V N 4.098 123.848 119.914 -0.273 0.000 2.378 1211 V HA 0.391 4.512 4.120 0.002 0.000 0.288 1211 V C -0.217 175.697 176.094 -0.299 0.000 1.016 1211 V CA -0.584 61.566 62.300 -0.250 0.000 0.840 1211 V CB 1.351 33.029 31.823 -0.242 0.000 0.994 1211 V HN 0.579 nan 8.190 nan 0.000 0.431 1212 I N 5.778 126.157 120.570 -0.319 0.000 2.377 1212 I HA 0.512 4.684 4.170 0.002 0.000 0.293 1212 I C -0.491 175.334 176.117 -0.487 0.000 0.987 1212 I CA -0.484 60.512 61.300 -0.508 0.000 1.185 1212 I CB 1.873 39.413 38.000 -0.766 0.000 1.341 1212 I HN 0.416 nan 8.210 nan 0.000 0.455 1213 I N 6.030 126.305 120.570 -0.493 0.000 2.339 1213 I HA 0.367 4.539 4.170 0.002 0.000 0.290 1213 I C -0.801 175.094 176.117 -0.369 0.000 0.994 1213 I CA -0.322 60.800 61.300 -0.297 0.000 1.191 1213 I CB 0.934 38.838 38.000 -0.159 0.000 1.343 1213 I HN 0.327 nan 8.210 nan 0.000 0.458 1214 F N 3.455 123.406 119.950 0.002 0.000 2.492 1214 F HA 0.329 4.857 4.527 0.002 0.000 0.327 1214 F C 0.590 176.404 175.800 0.024 0.000 1.079 1214 F CA -0.737 57.281 58.000 0.029 0.000 0.967 1214 F CB 1.111 40.136 39.000 0.042 0.000 1.169 1214 F HN 0.380 nan 8.300 nan 0.000 0.472 1215 D N 2.262 122.791 120.400 0.216 0.000 2.308 1215 D HA 0.186 4.827 4.640 0.002 0.000 0.251 1215 D C 1.203 177.558 176.300 0.091 0.000 1.127 1215 D CA 0.181 54.252 54.000 0.117 0.000 0.876 1215 D CB 1.076 41.921 40.800 0.076 0.000 1.176 1215 D HN 0.513 nan 8.370 nan 0.000 0.446 1216 I N 3.566 124.145 120.570 0.014 0.000 2.361 1216 I HA -0.250 3.921 4.170 0.002 0.000 0.251 1216 I C 2.434 178.489 176.117 -0.103 0.000 1.133 1216 I CA 0.747 62.024 61.300 -0.040 0.000 1.413 1216 I CB -0.023 37.900 38.000 -0.128 0.000 1.073 1216 I HN 0.329 nan 8.210 nan 0.000 0.424 1217 R N 0.188 120.555 120.500 -0.223 0.000 2.127 1217 R HA -0.143 4.199 4.340 0.002 0.000 0.238 1217 R C 1.997 178.257 176.300 -0.066 0.000 1.134 1217 R CA 2.040 57.915 56.100 -0.374 0.000 0.975 1217 R CB -0.386 29.647 30.300 -0.446 0.000 0.865 1217 R HN 0.521 nan 8.270 nan 0.000 0.447 1218 T N -4.065 110.506 114.554 0.029 0.000 2.969 1218 T HA 0.167 4.518 4.350 0.002 0.000 0.258 1218 T C 0.594 175.345 174.700 0.085 0.000 0.962 1218 T CA -0.426 61.727 62.100 0.088 0.000 0.903 1218 T CB 0.520 69.453 68.868 0.107 0.000 1.177 1218 T HN 0.008 nan 8.240 nan 0.000 0.511 1219 L N 1.288 122.566 121.223 0.092 0.000 4.001 1219 L HA -0.131 4.210 4.340 0.002 0.000 0.413 1219 L C 0.311 177.365 176.870 0.306 0.000 1.185 1219 L CA 0.433 55.343 54.840 0.116 0.000 0.963 1219 L CB -2.116 39.901 42.059 -0.070 0.000 1.976 1219 L HN 0.686 nan 8.230 nan 0.000 0.939 1220 E N 0.763 121.118 120.200 0.259 0.000 2.384 1220 E HA 0.037 4.388 4.350 0.002 0.000 0.266 1220 E C 0.753 177.545 176.600 0.321 0.000 1.012 1220 E CA -0.560 55.992 56.400 0.253 0.000 0.901 1220 E CB 0.535 30.319 29.700 0.139 0.000 0.967 1220 E HN 0.232 nan 8.360 nan 0.000 0.435 1221 R N 5.156 125.824 120.500 0.280 0.000 2.449 1221 R HA 0.010 4.351 4.340 0.002 0.000 0.296 1221 R C 0.308 176.598 176.300 -0.016 0.000 1.047 1221 R CA 0.127 56.236 56.100 0.015 0.000 1.018 1221 R CB 0.305 30.740 30.300 0.226 0.000 0.962 1221 R HN 0.702 nan 8.270 nan 0.000 0.428 1222 L N 2.144 123.307 121.223 -0.100 0.000 2.500 1222 L HA 0.198 4.539 4.340 0.002 0.000 0.219 1222 L C 0.314 177.133 176.870 -0.085 0.000 1.057 1222 L CA 0.204 55.008 54.840 -0.059 0.000 0.854 1222 L CB 0.178 42.214 42.059 -0.039 0.000 1.078 1222 L HN 0.554 nan 8.230 nan 0.000 0.480 1223 Q N 0.082 119.795 119.800 -0.145 0.000 2.438 1223 Q HA 0.504 4.846 4.340 0.002 0.000 0.272 1223 Q C -1.747 174.122 176.000 -0.219 0.000 0.994 1223 Q CA -0.123 55.593 55.803 -0.146 0.000 0.887 1223 Q CB 2.165 30.831 28.738 -0.121 0.000 1.432 1223 Q HN 0.094 nan 8.270 nan 0.000 0.392 1224 I N 4.112 124.560 120.570 -0.203 0.000 2.406 1224 I HA 0.466 4.638 4.170 0.002 0.000 0.290 1224 I C -0.564 175.385 176.117 -0.280 0.000 0.999 1224 I CA -1.012 60.132 61.300 -0.260 0.000 1.124 1224 I CB 1.458 39.317 38.000 -0.235 0.000 1.289 1224 I HN 0.513 nan 8.210 nan 0.000 0.441 1225 I N 5.820 126.171 120.570 -0.365 0.000 2.336 1225 I HA 0.310 4.481 4.170 0.002 0.000 0.292 1225 I C 0.083 175.854 176.117 -0.577 0.000 0.991 1225 I CA -0.550 60.411 61.300 -0.565 0.000 1.227 1225 I CB 1.157 38.736 38.000 -0.701 0.000 1.366 1225 I HN 0.590 nan 8.210 nan 0.000 0.466 1226 E N 5.459 125.295 120.200 -0.607 0.000 2.141 1226 E HA 0.252 4.603 4.350 0.002 0.000 0.259 1226 E C -0.328 176.019 176.600 -0.423 0.000 0.883 1226 E CA -0.506 55.643 56.400 -0.418 0.000 0.744 1226 E CB 1.850 31.402 29.700 -0.247 0.000 1.150 1226 E HN 0.484 nan 8.360 nan 0.000 0.420 1227 N N 1.786 120.289 118.700 -0.329 0.000 2.508 1227 N HA -0.011 4.730 4.740 0.002 0.000 0.264 1227 N C -0.153 175.335 175.510 -0.037 0.000 1.216 1227 N CA 0.066 53.080 53.050 -0.061 0.000 0.943 1227 N CB 0.919 39.404 38.487 -0.003 0.000 1.113 1227 N HN 0.278 nan 8.380 nan 0.000 0.447 1228 S N 2.459 118.141 115.700 -0.029 0.000 2.525 1228 S HA 0.111 4.582 4.470 0.002 0.000 0.285 1228 S C -1.605 172.938 174.600 -0.095 0.000 1.283 1228 S CA -1.223 56.906 58.200 -0.117 0.000 1.072 1228 S CB 0.709 63.743 63.200 -0.277 0.000 0.867 1228 S HN 0.429 nan 8.310 nan 0.000 0.492 1229 P HA -0.014 nan 4.420 nan 0.000 0.228 1229 P C 0.778 178.072 177.300 -0.011 0.000 1.151 1229 P CA 0.815 63.891 63.100 -0.040 0.000 0.770 1229 P CB 0.071 31.746 31.700 -0.042 0.000 0.786 1230 R N -1.545 118.946 120.500 -0.015 0.000 2.316 1230 R HA -0.011 4.330 4.340 0.002 0.000 0.202 1230 R C 1.284 177.704 176.300 0.201 0.000 1.029 1230 R CA 0.627 56.758 56.100 0.052 0.000 1.018 1230 R CB -0.555 29.766 30.300 0.035 0.000 0.888 1230 R HN 0.521 nan 8.270 nan 0.000 0.471 1231 H N -0.410 118.649 119.070 -0.018 0.000 2.549 1231 H HA 0.200 4.757 4.556 0.002 0.000 0.279 1231 H C 0.889 176.198 175.328 -0.033 0.000 1.018 1231 H CA -0.275 55.757 56.048 -0.027 0.000 1.175 1231 H CB 0.755 30.505 29.762 -0.019 0.000 1.485 1231 H HN 0.345 nan 8.280 nan 0.000 0.543 1232 G N 0.934 109.777 108.800 0.072 0.000 2.627 1232 G HA2 -0.101 3.861 3.960 0.002 0.000 0.214 1232 G HA3 -0.101 3.861 3.960 0.002 0.000 0.214 1232 G C -0.578 174.298 174.900 -0.040 0.000 1.331 1232 G CA -0.536 44.559 45.100 -0.008 0.000 0.891 1232 G HN 0.429 nan 8.290 nan 0.000 0.539 1233 A N -1.020 121.744 122.820 -0.093 0.000 2.316 1233 A HA 0.717 5.038 4.320 0.002 0.000 0.284 1233 A C 0.556 178.101 177.584 -0.065 0.000 1.115 1233 A CA 0.229 52.209 52.037 -0.095 0.000 0.812 1233 A CB 1.138 20.055 19.000 -0.138 0.000 1.064 1233 A HN 1.880 nan 8.150 nan 0.000 0.489 1234 V N 2.738 122.612 119.914 -0.067 0.000 2.439 1234 V HA 0.149 4.271 4.120 0.002 0.000 0.271 1234 V C 1.156 177.217 176.094 -0.054 0.000 1.040 1234 V CA 0.936 63.202 62.300 -0.058 0.000 1.002 1234 V CB 0.573 32.351 31.823 -0.074 0.000 1.000 1234 V HN 1.060 nan 8.190 nan 0.000 0.477 1235 S N 2.038 117.718 115.700 -0.034 0.000 2.511 1235 S HA 0.224 4.696 4.470 0.002 0.000 0.214 1235 S C 0.544 175.144 174.600 -0.001 0.000 0.997 1235 S CA 0.155 58.349 58.200 -0.011 0.000 0.908 1235 S CB 0.241 63.450 63.200 0.015 0.000 0.803 1235 S HN 0.886 nan 8.310 nan 0.000 0.504 1236 S N 1.115 116.800 115.700 -0.024 0.000 2.547 1236 S HA 0.778 5.249 4.470 0.002 0.000 0.270 1236 S C -1.084 173.476 174.600 -0.066 0.000 1.150 1236 S CA -1.158 57.022 58.200 -0.033 0.000 0.850 1236 S CB 1.271 64.453 63.200 -0.032 0.000 1.118 1236 S HN 0.704 nan 8.310 nan 0.000 0.461 1237 I N -1.466 119.057 120.570 -0.079 0.000 2.913 1237 I HA 0.941 5.112 4.170 0.002 0.000 0.302 1237 I C -0.658 175.400 176.117 -0.099 0.000 1.246 1237 I CA -0.969 60.283 61.300 -0.081 0.000 1.010 1237 I CB 1.642 39.607 38.000 -0.057 0.000 1.259 1237 I HN 1.229 nan 8.210 nan 0.000 0.434 1238 C N 4.064 123.309 119.300 -0.091 0.000 3.288 1238 C HA 0.834 5.295 4.460 0.002 0.000 0.318 1238 C C -0.594 174.365 174.990 -0.052 0.000 1.356 1238 C CA -0.777 58.202 59.018 -0.065 0.000 1.359 1238 C CB 1.199 28.886 27.740 -0.088 0.000 1.688 1238 C HN 1.019 nan 8.230 nan 0.000 0.467 1239 I N 0.535 121.099 120.570 -0.011 0.000 2.693 1239 I HA 0.683 4.855 4.170 0.002 0.000 0.303 1239 I C -0.324 175.795 176.117 0.004 0.000 1.025 1239 I CA -0.238 61.049 61.300 -0.023 0.000 1.086 1239 I CB 1.849 39.841 38.000 -0.012 0.000 1.268 1239 I HN 0.918 nan 8.210 nan 0.000 0.440 1240 D N 3.036 123.424 120.400 -0.019 0.000 2.451 1240 D HA 0.070 4.712 4.640 0.002 0.000 0.259 1240 D C 0.543 176.902 176.300 0.098 0.000 1.201 1240 D CA -0.260 53.781 54.000 0.068 0.000 1.028 1240 D CB 1.297 42.165 40.800 0.113 0.000 1.095 1240 D HN 0.804 nan 8.370 nan 0.000 0.539 1241 E N -0.693 119.612 120.200 0.174 0.000 2.118 1241 E HA -0.243 4.108 4.350 0.002 0.000 0.195 1241 E C 1.833 178.554 176.600 0.202 0.000 0.992 1241 E CA 1.957 58.486 56.400 0.214 0.000 0.804 1241 E CB -0.028 29.788 29.700 0.193 0.000 0.741 1241 E HN 0.685 nan 8.360 nan 0.000 0.458 1242 E N -0.461 119.783 120.200 0.073 0.000 2.489 1242 E HA 0.027 4.379 4.350 0.002 0.000 0.193 1242 E C 1.051 177.468 176.600 -0.306 0.000 1.057 1242 E CA 0.616 57.010 56.400 -0.010 0.000 0.866 1242 E CB -1.049 28.674 29.700 0.038 0.000 0.916 1242 E HN 0.434 nan 8.360 nan 0.000 0.500 1243 C N -0.823 118.161 119.300 -0.526 0.000 4.028 1243 C HA -0.238 4.223 4.460 0.002 0.000 0.300 1243 C C 1.732 176.536 174.990 -0.310 0.000 1.399 1243 C CA 0.485 59.099 59.018 -0.673 0.000 2.051 1243 C CB -2.602 24.202 27.740 -1.560 0.000 1.318 1243 C HN 0.780 nan 8.230 nan 0.000 0.696 1244 C N -0.845 118.371 119.300 -0.140 0.000 3.097 1244 C HA 0.430 4.891 4.460 0.002 0.000 0.335 1244 C C 0.879 175.873 174.990 0.007 0.000 1.283 1244 C CA 0.158 59.153 59.018 -0.039 0.000 1.778 1244 C CB -0.110 27.640 27.740 0.017 0.000 2.365 1244 C HN 0.638 nan 8.230 nan 0.000 0.627 1245 V N 1.581 121.490 119.914 -0.008 0.000 2.735 1245 V HA 0.550 4.671 4.120 0.002 0.000 0.310 1245 V C -1.179 174.898 176.094 -0.027 0.000 1.061 1245 V CA -0.425 61.882 62.300 0.011 0.000 0.913 1245 V CB 2.104 33.939 31.823 0.020 0.000 1.005 1245 V HN 0.116 nan 8.190 nan 0.000 0.428 1246 L N 6.056 127.292 121.223 0.023 0.000 2.287 1246 L HA 0.636 4.977 4.340 0.002 0.000 0.287 1246 L C -0.559 176.312 176.870 0.003 0.000 1.022 1246 L CA 0.153 54.995 54.840 0.005 0.000 0.814 1246 L CB 1.151 43.228 42.059 0.029 0.000 1.217 1246 L HN 0.512 nan 8.230 nan 0.000 0.420 1247 I N 6.322 126.841 120.570 -0.086 0.000 2.321 1247 I HA 0.351 4.523 4.170 0.002 0.000 0.291 1247 I C -0.643 175.423 176.117 -0.085 0.000 0.998 1247 I CA -0.379 60.845 61.300 -0.126 0.000 1.227 1247 I CB 1.037 38.889 38.000 -0.246 0.000 1.368 1247 I HN 0.411 nan 8.210 nan 0.000 0.466 1248 L N 5.855 127.050 121.223 -0.048 0.000 2.329 1248 L HA 0.732 5.073 4.340 0.002 0.000 0.279 1248 L C 0.391 177.200 176.870 -0.102 0.000 1.014 1248 L CA -0.652 54.159 54.840 -0.047 0.000 0.814 1248 L CB 1.773 43.847 42.059 0.025 0.000 1.257 1248 L HN 0.627 nan 8.230 nan 0.000 0.424 1249 G N 0.400 109.141 108.800 -0.098 0.000 2.416 1249 G HA2 0.632 4.594 3.960 0.002 0.000 0.329 1249 G HA3 0.632 4.594 3.960 0.002 0.000 0.329 1249 G C -0.415 174.445 174.900 -0.066 0.000 1.173 1249 G CA -0.269 44.764 45.100 -0.112 0.000 0.929 1249 G HN 0.568 nan 8.290 nan 0.000 0.475 1250 T N -2.229 112.285 114.554 -0.067 0.000 2.949 1250 T HA 0.494 4.846 4.350 0.002 0.000 0.287 1250 T C 1.656 176.357 174.700 0.000 0.000 1.034 1250 T CA 0.394 62.477 62.100 -0.029 0.000 1.018 1250 T CB 1.367 70.229 68.868 -0.009 0.000 1.135 1250 T HN 0.690 nan 8.240 nan 0.000 0.532 1251 T N -1.027 113.539 114.554 0.020 0.000 3.007 1251 T HA -0.015 4.336 4.350 0.002 0.000 0.270 1251 T C 1.279 176.116 174.700 0.228 0.000 1.107 1251 T CA 0.450 62.616 62.100 0.109 0.000 1.118 1251 T CB -0.366 68.476 68.868 -0.043 0.000 0.889 1251 T HN 0.691 nan 8.240 nan 0.000 0.506 1252 R N 1.020 121.596 120.500 0.125 0.000 2.515 1252 R HA 0.410 4.752 4.340 0.002 0.000 0.294 1252 R C 1.387 177.714 176.300 0.045 0.000 1.021 1252 R CA 0.200 56.385 56.100 0.142 0.000 1.081 1252 R CB 0.029 30.383 30.300 0.089 0.000 1.263 1252 R HN 0.509 nan 8.270 nan 0.000 0.557 1253 G N 1.687 110.476 108.800 -0.020 0.000 2.147 1253 G HA2 -0.273 3.688 3.960 0.002 0.000 0.244 1253 G HA3 -0.273 3.688 3.960 0.002 0.000 0.244 1253 G C 0.084 174.848 174.900 -0.227 0.000 1.005 1253 G CA -0.086 44.938 45.100 -0.127 0.000 0.713 1253 G HN 0.308 nan 8.290 nan 0.000 0.515 1254 I N 0.163 120.598 120.570 -0.225 0.000 2.392 1254 I HA 0.536 4.707 4.170 0.002 0.000 0.295 1254 I C 0.440 176.328 176.117 -0.381 0.000 0.985 1254 I CA -1.120 59.979 61.300 -0.335 0.000 1.221 1254 I CB 1.587 39.374 38.000 -0.353 0.000 1.366 1254 I HN -0.039 nan 8.210 nan 0.000 0.467 1255 I N 5.253 125.428 120.570 -0.658 0.000 2.339 1255 I HA 0.258 4.429 4.170 0.002 0.000 0.290 1255 I C -0.725 175.079 176.117 -0.521 0.000 0.994 1255 I CA -0.217 60.635 61.300 -0.747 0.000 1.191 1255 I CB 0.902 38.039 38.000 -1.437 0.000 1.343 1255 I HN 0.421 nan 8.210 nan 0.000 0.458 1256 D N 7.823 128.087 120.400 -0.226 0.000 2.391 1256 D HA 0.510 5.151 4.640 0.002 0.000 0.245 1256 D C -0.449 175.838 176.300 -0.022 0.000 1.069 1256 D CA -0.169 53.797 54.000 -0.056 0.000 0.831 1256 D CB 2.470 43.366 40.800 0.160 0.000 1.204 1256 D HN 0.261 nan 8.370 nan 0.000 0.503 1257 I N 1.761 122.280 120.570 -0.086 0.000 2.378 1257 I HA 0.346 4.517 4.170 0.002 0.000 0.291 1257 I C -0.741 175.281 176.117 -0.158 0.000 0.992 1257 I CA -0.820 60.453 61.300 -0.046 0.000 1.154 1257 I CB 1.389 39.385 38.000 -0.007 0.000 1.315 1257 I HN 0.125 nan 8.210 nan 0.000 0.448 1258 W N 4.338 125.615 121.300 -0.038 0.000 2.529 1258 W HA 0.299 4.960 4.660 0.002 0.000 0.321 1258 W C 0.009 176.525 176.519 -0.004 0.000 1.047 1258 W CA -0.381 56.953 57.345 -0.018 0.000 1.216 1258 W CB 1.160 30.599 29.460 -0.036 0.000 1.357 1258 W HN 0.404 nan 8.180 nan 0.000 0.489 1259 D N 2.866 123.386 120.400 0.199 0.000 2.348 1259 D HA 0.125 4.766 4.640 0.002 0.000 0.253 1259 D C 0.960 177.404 176.300 0.239 0.000 1.161 1259 D CA 0.230 54.343 54.000 0.189 0.000 0.876 1259 D CB 0.901 41.800 40.800 0.166 0.000 1.160 1259 D HN 0.384 nan 8.370 nan 0.000 0.459 1260 I N 3.287 123.953 120.570 0.160 0.000 2.286 1260 I HA -0.127 4.045 4.170 0.002 0.000 0.245 1260 I C 2.446 178.614 176.117 0.085 0.000 1.104 1260 I CA 0.486 61.844 61.300 0.097 0.000 1.397 1260 I CB -0.171 37.844 38.000 0.025 0.000 1.072 1260 I HN 0.527 nan 8.210 nan 0.000 0.417 1261 R N 0.814 121.380 120.500 0.109 0.000 2.092 1261 R HA -0.137 4.204 4.340 0.002 0.000 0.231 1261 R C 1.875 178.124 176.300 -0.086 0.000 1.119 1261 R CA 1.728 57.830 56.100 0.003 0.000 0.970 1261 R CB -0.092 30.220 30.300 0.020 0.000 0.864 1261 R HN 0.229 nan 8.270 nan 0.000 0.440 1262 F N 0.398 120.377 119.950 0.048 0.000 2.721 1262 F HA 0.197 4.725 4.527 0.002 0.000 0.301 1262 F C 0.503 176.356 175.800 0.087 0.000 1.096 1262 F CA -0.259 57.773 58.000 0.053 0.000 1.308 1262 F CB 0.255 39.281 39.000 0.043 0.000 1.086 1262 F HN 0.062 nan 8.300 nan 0.000 0.587 1263 N N 1.598 120.463 118.700 0.275 0.000 2.696 1263 N HA -0.180 4.561 4.740 0.002 0.000 0.256 1263 N C -1.430 174.357 175.510 0.461 0.000 1.031 1263 N CA 0.321 53.559 53.050 0.314 0.000 0.730 1263 N CB -1.093 37.486 38.487 0.154 0.000 0.894 1263 N HN 0.023 nan 8.380 nan 0.000 0.544 1264 V N 1.767 121.921 119.914 0.400 0.000 2.638 1264 V HA 0.414 4.536 4.120 0.002 0.000 0.306 1264 V C 0.377 176.277 176.094 -0.324 0.000 1.052 1264 V CA -1.068 61.287 62.300 0.091 0.000 0.885 1264 V CB 1.877 33.724 31.823 0.040 0.000 0.999 1264 V HN 0.266 nan 8.190 nan 0.000 0.424 1265 L N 6.231 126.897 121.223 -0.928 0.000 2.433 1265 L HA 0.354 4.695 4.340 0.002 0.000 0.275 1265 L C 0.801 177.365 176.870 -0.509 0.000 1.128 1265 L CA 0.667 54.785 54.840 -1.204 0.000 0.875 1265 L CB 0.353 41.701 42.059 -1.186 0.000 1.171 1265 L HN 0.730 nan 8.230 nan 0.000 0.463 1266 I N 0.876 121.231 120.570 -0.358 0.000 4.181 1266 I HA 0.414 4.585 4.170 0.002 0.000 0.331 1266 I C 0.126 176.202 176.117 -0.069 0.000 1.312 1266 I CA -0.153 61.053 61.300 -0.157 0.000 1.146 1266 I CB 0.021 37.972 38.000 -0.081 0.000 1.074 1266 I HN 0.411 nan 8.210 nan 0.000 0.402 1267 R N 1.091 121.558 120.500 -0.055 0.000 2.561 1267 R HA 0.585 4.926 4.340 0.002 0.000 0.266 1267 R C -1.535 174.822 176.300 0.096 0.000 1.091 1267 R CA -0.362 55.795 56.100 0.095 0.000 0.927 1267 R CB 2.303 32.759 30.300 0.260 0.000 1.240 1267 R HN 0.050 nan 8.270 nan 0.000 0.449 1268 S N 2.016 117.815 115.700 0.165 0.000 2.575 1268 S HA 0.733 5.205 4.470 0.002 0.000 0.278 1268 S C -1.562 173.183 174.600 0.242 0.000 1.139 1268 S CA -0.887 57.383 58.200 0.116 0.000 0.954 1268 S CB 1.679 64.929 63.200 0.084 0.000 1.054 1268 S HN 0.597 nan 8.310 nan 0.000 0.483 1269 W N 1.423 122.657 121.300 -0.110 0.000 3.153 1269 W HA 0.805 5.466 4.660 0.002 0.000 0.316 1269 W C -1.091 175.357 176.519 -0.117 0.000 1.255 1269 W CA -0.571 56.706 57.345 -0.112 0.000 1.192 1269 W CB 0.490 29.884 29.460 -0.110 0.000 1.400 1269 W HN 0.543 nan 8.180 nan 0.000 0.568 1270 S N 1.230 116.973 115.700 0.072 0.000 2.810 1270 S HA 0.932 5.403 4.470 0.002 0.000 0.315 1270 S C -1.101 173.729 174.600 0.382 0.000 1.138 1270 S CA -0.349 57.859 58.200 0.013 0.000 0.889 1270 S CB 0.908 64.034 63.200 -0.122 0.000 1.236 1270 S HN 1.092 nan 8.310 nan 0.000 0.548 1271 F N -2.088 117.893 119.950 0.052 0.000 2.926 1271 F HA 0.671 5.199 4.527 0.002 0.000 0.321 1271 F C 0.437 176.184 175.800 -0.089 0.000 1.168 1271 F CA -0.322 57.732 58.000 0.089 0.000 0.890 1271 F CB 0.176 39.393 39.000 0.362 0.000 1.357 1271 F HN 1.109 nan 8.300 nan 0.000 0.468 1272 G N 1.599 110.224 108.800 -0.292 0.000 2.611 1272 G HA2 -0.313 3.648 3.960 0.002 0.000 0.301 1272 G HA3 -0.313 3.648 3.960 0.002 0.000 0.301 1272 G C -0.049 174.532 174.900 -0.532 0.000 1.233 1272 G CA 0.871 45.379 45.100 -0.986 0.000 0.993 1272 G HN 1.604 nan 8.290 nan 0.000 0.553 1273 D N 0.651 120.822 120.400 -0.382 0.000 2.427 1273 D HA 0.148 4.789 4.640 0.002 0.000 0.224 1273 D C 1.180 177.161 176.300 -0.533 0.000 1.157 1273 D CA 0.577 54.405 54.000 -0.287 0.000 0.828 1273 D CB -1.137 39.546 40.800 -0.194 0.000 0.974 1273 D HN 1.342 nan 8.370 nan 0.000 0.498 1274 H N -1.242 117.643 119.070 -0.309 0.000 2.484 1274 H HA -0.214 4.343 4.556 0.002 0.000 0.321 1274 H C -0.356 174.844 175.328 -0.212 0.000 1.065 1274 H CA 0.513 56.385 56.048 -0.293 0.000 1.118 1274 H CB -2.313 27.322 29.762 -0.212 0.000 1.511 1274 H HN 0.358 nan 8.280 nan 0.000 0.403 1275 A N 0.944 123.592 122.820 -0.287 0.000 2.425 1275 A HA 0.456 4.778 4.320 0.002 0.000 0.242 1275 A C -1.828 175.698 177.584 -0.096 0.000 1.077 1275 A CA -1.001 50.922 52.037 -0.191 0.000 0.781 1275 A CB 0.284 19.196 19.000 -0.147 0.000 1.020 1275 A HN 0.384 nan 8.150 nan 0.000 0.494 1276 P HA 0.054 nan 4.420 nan 0.000 0.267 1276 P C -0.589 176.722 177.300 0.018 0.000 1.200 1276 P CA 0.182 63.310 63.100 0.046 0.000 0.772 1276 P CB 0.251 32.025 31.700 0.124 0.000 0.855 1277 I N 2.789 123.365 120.570 0.009 0.000 2.291 1277 I HA 0.078 4.249 4.170 0.002 0.000 0.292 1277 I C 1.551 177.698 176.117 0.050 0.000 1.064 1277 I CA 0.286 61.596 61.300 0.017 0.000 1.269 1277 I CB 0.044 38.022 38.000 -0.037 0.000 1.418 1277 I HN 0.421 nan 8.210 nan 0.000 0.485 1278 T N 1.430 116.042 114.554 0.095 0.000 3.037 1278 T HA 0.093 4.445 4.350 0.002 0.000 0.251 1278 T C 0.479 175.294 174.700 0.193 0.000 1.079 1278 T CA 0.443 62.617 62.100 0.124 0.000 1.067 1278 T CB -0.021 68.924 68.868 0.129 0.000 0.948 1278 T HN 0.584 nan 8.240 nan 0.000 0.496 1279 H N 0.279 119.390 119.070 0.069 0.000 3.029 1279 H HA 0.577 5.134 4.556 0.002 0.000 0.358 1279 H C -1.623 173.748 175.328 0.073 0.000 1.129 1279 H CA -0.839 55.252 56.048 0.071 0.000 1.230 1279 H CB 2.212 32.028 29.762 0.089 0.000 1.827 1279 H HN 0.206 nan 8.280 nan 0.000 0.530 1280 V N 1.826 121.518 119.914 -0.371 0.000 2.709 1280 V HA 0.712 4.834 4.120 0.002 0.000 0.308 1280 V C -0.576 175.330 176.094 -0.314 0.000 1.062 1280 V CA -0.788 61.394 62.300 -0.196 0.000 0.901 1280 V CB 1.776 33.517 31.823 -0.138 0.000 1.003 1280 V HN 0.885 nan 8.190 nan 0.000 0.425 1281 E N 2.695 122.870 120.200 -0.042 0.000 2.321 1281 E HA 0.587 4.939 4.350 0.002 0.000 0.281 1281 E C -0.791 175.892 176.600 0.138 0.000 0.910 1281 E CA -0.864 55.563 56.400 0.045 0.000 0.770 1281 E CB 2.564 32.390 29.700 0.210 0.000 1.225 1281 E HN 1.179 nan 8.360 nan 0.000 0.417 1282 V N 1.034 121.035 119.914 0.145 0.000 2.811 1282 V HA 0.287 4.408 4.120 0.002 0.000 0.302 1282 V C -0.012 176.222 176.094 0.233 0.000 1.063 1282 V CA -0.684 61.749 62.300 0.222 0.000 1.088 1282 V CB 1.119 33.082 31.823 0.233 0.000 0.982 1282 V HN 0.797 nan 8.190 nan 0.000 0.485 1283 C N 4.468 123.935 119.300 0.278 0.000 2.301 1283 C HA 0.468 4.929 4.460 0.002 0.000 0.313 1283 C C 1.326 176.473 174.990 0.261 0.000 1.121 1283 C CA -0.295 58.889 59.018 0.278 0.000 1.507 1283 C CB 0.068 28.029 27.740 0.369 0.000 1.975 1283 C HN 1.128 nan 8.230 nan 0.000 0.425 1284 Q N 2.270 122.192 119.800 0.203 0.000 2.170 1284 Q HA -0.124 4.218 4.340 0.002 0.000 0.203 1284 Q C 1.522 177.596 176.000 0.124 0.000 0.976 1284 Q CA 1.919 57.817 55.803 0.159 0.000 0.858 1284 Q CB -0.203 28.617 28.738 0.137 0.000 0.907 1284 Q HN 0.916 nan 8.270 nan 0.000 0.433 1285 F N -0.838 119.084 119.950 -0.046 0.000 2.120 1285 F HA -0.275 4.253 4.527 0.002 0.000 0.300 1285 F C 1.108 176.771 175.800 -0.229 0.000 1.095 1285 F CA 1.548 59.430 58.000 -0.197 0.000 1.249 1285 F CB -0.173 38.596 39.000 -0.385 0.000 0.995 1285 F HN 0.156 nan 8.300 nan 0.000 0.480 1286 Y N -0.010 120.277 120.300 -0.022 0.000 2.517 1286 Y HA 0.389 4.941 4.550 0.002 0.000 0.281 1286 Y C 1.352 177.196 175.900 -0.093 0.000 1.125 1286 Y CA 0.430 58.462 58.100 -0.114 0.000 1.283 1286 Y CB -0.219 38.280 38.460 0.064 0.000 1.042 1286 Y HN 0.169 nan 8.280 nan 0.000 0.547 1287 G N -0.753 108.099 108.800 0.088 0.000 2.346 1287 G HA2 0.010 3.972 3.960 0.002 0.000 0.294 1287 G HA3 0.010 3.972 3.960 0.002 0.000 0.294 1287 G C 0.024 174.968 174.900 0.074 0.000 1.294 1287 G CA -0.299 44.826 45.100 0.042 0.000 0.962 1287 G HN -0.087 nan 8.290 nan 0.000 0.508 1288 K N -1.223 119.201 120.400 0.040 0.000 2.444 1288 K HA 0.247 4.568 4.320 0.002 0.000 0.193 1288 K C 0.864 177.479 176.600 0.024 0.000 1.024 1288 K CA 1.222 57.555 56.287 0.077 0.000 1.077 1288 K CB -0.025 32.518 32.500 0.072 0.000 0.833 1288 K HN 0.431 nan 8.250 nan 0.000 0.517 1289 N N 0.633 119.227 118.700 -0.177 0.000 2.275 1289 N HA 0.231 4.973 4.740 0.002 0.000 0.236 1289 N C -1.016 174.075 175.510 -0.697 0.000 1.154 1289 N CA -0.107 52.490 53.050 -0.755 0.000 0.866 1289 N CB 1.187 39.312 38.487 -0.603 0.000 1.093 1289 N HN 0.219 nan 8.380 nan 0.000 0.515 1290 S N 0.148 115.831 115.700 -0.027 0.000 2.472 1290 S HA 0.527 4.998 4.470 0.002 0.000 0.303 1290 S C -0.576 174.297 174.600 0.455 0.000 1.099 1290 S CA -0.615 57.706 58.200 0.200 0.000 1.077 1290 S CB 2.732 66.070 63.200 0.230 0.000 1.031 1290 S HN -0.046 nan 8.310 nan 0.000 0.487 1291 V N 4.711 124.923 119.914 0.497 0.000 2.709 1291 V HA 0.574 4.695 4.120 0.002 0.000 0.308 1291 V C -1.113 175.182 176.094 0.335 0.000 1.062 1291 V CA -0.893 61.659 62.300 0.420 0.000 0.901 1291 V CB 1.629 33.694 31.823 0.404 0.000 1.003 1291 V HN 0.866 nan 8.190 nan 0.000 0.425 1292 I N 6.215 126.937 120.570 0.253 0.000 2.395 1292 I HA 0.423 4.594 4.170 0.002 0.000 0.289 1292 I C -0.452 175.799 176.117 0.223 0.000 1.023 1292 I CA -0.340 61.086 61.300 0.210 0.000 1.350 1292 I CB 1.622 39.734 38.000 0.186 0.000 1.409 1292 I HN 0.289 nan 8.210 nan 0.000 0.507 1293 V N 7.331 127.403 119.914 0.263 0.000 2.448 1293 V HA 0.380 4.501 4.120 0.002 0.000 0.295 1293 V C -0.188 176.073 176.094 0.279 0.000 1.025 1293 V CA -0.672 61.786 62.300 0.263 0.000 0.859 1293 V CB 2.020 34.045 31.823 0.338 0.000 0.988 1293 V HN 0.371 nan 8.190 nan 0.000 0.431 1294 V N 4.516 124.579 119.914 0.250 0.000 2.384 1294 V HA 0.966 5.087 4.120 0.002 0.000 0.287 1294 V C 0.651 176.868 176.094 0.205 0.000 1.020 1294 V CA 0.605 63.054 62.300 0.249 0.000 0.850 1294 V CB 0.712 32.687 31.823 0.254 0.000 0.987 1294 V HN 1.339 nan 8.190 nan 0.000 0.436 1295 G N 3.550 112.469 108.800 0.199 0.000 2.526 1295 G HA2 0.406 4.367 3.960 0.002 0.000 0.250 1295 G HA3 0.406 4.367 3.960 0.002 0.000 0.250 1295 G C 0.655 175.601 174.900 0.077 0.000 1.289 1295 G CA 0.018 45.187 45.100 0.115 0.000 0.947 1295 G HN 2.025 nan 8.290 nan 0.000 0.517 1296 G N -1.351 107.375 108.800 -0.123 0.000 3.329 1296 G HA2 0.034 3.996 3.960 0.002 0.000 0.220 1296 G HA3 0.034 3.996 3.960 0.002 0.000 0.220 1296 G C 1.136 175.654 174.900 -0.638 0.000 1.358 1296 G CA 1.845 46.628 45.100 -0.528 0.000 0.856 1296 G HN 2.478 nan 8.290 nan 0.000 0.551 1297 S N 0.525 116.088 115.700 -0.228 0.000 2.456 1297 S HA 0.598 5.070 4.470 0.002 0.000 0.316 1297 S C 1.378 176.056 174.600 0.130 0.000 1.089 1297 S CA 0.838 59.077 58.200 0.065 0.000 1.101 1297 S CB 1.496 65.004 63.200 0.514 0.000 0.995 1297 S HN 1.624 nan 8.310 nan 0.000 0.468 1298 S N 4.477 120.211 115.700 0.056 0.000 2.603 1298 S HA 0.065 4.536 4.470 0.002 0.000 0.229 1298 S C 1.013 175.637 174.600 0.039 0.000 0.972 1298 S CA 0.220 58.438 58.200 0.030 0.000 0.935 1298 S CB -0.182 63.003 63.200 -0.025 0.000 0.769 1298 S HN 0.688 nan 8.310 nan 0.000 0.536 1299 K N 1.975 122.430 120.400 0.091 0.000 2.404 1299 K HA 0.131 4.452 4.320 0.002 0.000 0.194 1299 K C 0.654 177.295 176.600 0.068 0.000 1.023 1299 K CA 0.375 56.681 56.287 0.032 0.000 1.094 1299 K CB 0.107 32.569 32.500 -0.064 0.000 0.841 1299 K HN 0.704 nan 8.250 nan 0.000 0.523 1300 T N -3.190 111.445 114.554 0.135 0.000 2.893 1300 T HA 0.432 4.783 4.350 0.002 0.000 0.291 1300 T C 0.823 175.590 174.700 0.111 0.000 1.028 1300 T CA -0.767 61.434 62.100 0.168 0.000 0.995 1300 T CB 0.836 69.917 68.868 0.355 0.000 1.051 1300 T HN -0.179 nan 8.240 nan 0.000 0.470 1301 F N 1.180 121.297 119.950 0.279 0.000 2.102 1301 F HA 0.234 4.762 4.527 0.002 0.000 0.298 1301 F C 0.911 176.840 175.800 0.216 0.000 1.105 1301 F CA 0.886 59.058 58.000 0.287 0.000 1.239 1301 F CB -0.393 38.871 39.000 0.441 0.000 0.991 1301 F HN 0.667 nan 8.300 nan 0.000 0.474 1302 L N -3.977 117.449 121.223 0.338 0.000 2.775 1302 L HA 0.673 5.014 4.340 0.002 0.000 0.263 1302 L C -0.709 176.167 176.870 0.008 0.000 1.017 1302 L CA -1.013 53.926 54.840 0.165 0.000 0.891 1302 L CB 1.584 43.680 42.059 0.061 0.000 1.482 1302 L HN -0.142 nan 8.230 nan 0.000 0.410 1303 T N -1.276 113.323 114.554 0.074 0.000 2.930 1303 T HA 0.877 5.229 4.350 0.002 0.000 0.290 1303 T C -0.434 174.211 174.700 -0.091 0.000 1.052 1303 T CA -0.602 61.443 62.100 -0.091 0.000 1.017 1303 T CB 1.744 70.679 68.868 0.112 0.000 1.137 1303 T HN 0.681 nan 8.240 nan 0.000 0.511 1304 I N 1.014 121.406 120.570 -0.296 0.000 2.466 1304 I HA 0.498 4.670 4.170 0.002 0.000 0.289 1304 I C -1.367 174.583 176.117 -0.278 0.000 1.026 1304 I CA -0.713 60.510 61.300 -0.129 0.000 1.078 1304 I CB 1.679 39.577 38.000 -0.171 0.000 1.249 1304 I HN 0.619 nan 8.210 nan 0.000 0.429 1305 W N 4.711 125.986 121.300 -0.042 0.000 2.666 1305 W HA 0.381 5.043 4.660 0.002 0.000 0.334 1305 W C 0.134 176.645 176.519 -0.012 0.000 1.051 1305 W CA -0.523 56.786 57.345 -0.059 0.000 1.224 1305 W CB 1.035 30.567 29.460 0.119 0.000 1.405 1305 W HN 0.309 nan 8.180 nan 0.000 0.513 1306 N N 3.205 121.960 118.700 0.091 0.000 2.406 1306 N HA 0.029 4.771 4.740 0.002 0.000 0.251 1306 N C 0.375 175.902 175.510 0.028 0.000 1.069 1306 N CA -0.220 52.825 53.050 -0.009 0.000 0.947 1306 N CB 0.458 38.904 38.487 -0.067 0.000 1.111 1306 N HN 0.444 nan 8.380 nan 0.000 0.497 1307 F N 2.690 122.712 119.950 0.121 0.000 2.780 1307 F HA 0.167 4.695 4.527 0.002 0.000 0.299 1307 F C 1.277 177.093 175.800 0.027 0.000 1.146 1307 F CA -0.275 57.787 58.000 0.103 0.000 1.428 1307 F CB -0.324 38.845 39.000 0.282 0.000 1.115 1307 F HN 0.158 nan 8.300 nan 0.000 0.583 1308 V N 1.021 120.837 119.914 -0.163 0.000 2.379 1308 V HA -0.122 3.999 4.120 0.002 0.000 0.243 1308 V C 2.254 178.303 176.094 -0.074 0.000 1.035 1308 V CA 1.636 63.888 62.300 -0.080 0.000 1.035 1308 V CB -0.487 31.236 31.823 -0.167 0.000 0.673 1308 V HN 0.249 nan 8.190 nan 0.000 0.457 1309 K N 0.158 120.495 120.400 -0.105 0.000 2.366 1309 K HA 0.178 4.499 4.320 0.002 0.000 0.198 1309 K C 1.307 177.851 176.600 -0.093 0.000 1.044 1309 K CA 0.736 56.969 56.287 -0.091 0.000 0.973 1309 K CB 0.001 32.443 32.500 -0.096 0.000 0.767 1309 K HN 0.553 nan 8.250 nan 0.000 0.475 1310 G N 2.346 111.055 108.800 -0.153 0.000 2.212 1310 G HA2 -0.277 3.685 3.960 0.002 0.000 0.255 1310 G HA3 -0.277 3.685 3.960 0.002 0.000 0.255 1310 G C -0.582 174.212 174.900 -0.176 0.000 1.062 1310 G CA 0.511 45.391 45.100 -0.366 0.000 0.815 1310 G HN 0.584 nan 8.290 nan 0.000 0.497 1311 H N -1.193 117.804 119.070 -0.122 0.000 2.679 1311 H HA 0.581 5.139 4.556 0.002 0.000 0.360 1311 H C 0.091 175.153 175.328 -0.445 0.000 1.105 1311 H CA -0.374 55.566 56.048 -0.181 0.000 1.196 1311 H CB 1.415 31.052 29.762 -0.209 0.000 1.636 1311 H HN 0.481 nan 8.280 nan 0.000 0.531 1312 C N 5.938 124.184 119.300 -1.758 0.000 2.442 1312 C HA 0.141 4.602 4.460 0.002 0.000 0.362 1312 C C 1.312 175.395 174.990 -1.512 0.000 1.242 1312 C CA 0.037 57.829 59.018 -2.044 0.000 1.741 1312 C CB -1.032 25.451 27.740 -2.095 0.000 2.378 1312 C HN 0.996 nan 8.230 nan 0.000 0.549 1313 Q N 3.229 122.394 119.800 -1.059 0.000 2.123 1313 Q HA 0.121 4.463 4.340 0.002 0.000 0.196 1313 Q C -0.651 174.668 176.000 -1.134 0.000 0.958 1313 Q CA 1.235 56.513 55.803 -0.874 0.000 0.841 1313 Q CB 0.305 28.652 28.738 -0.652 0.000 0.915 1313 Q HN 0.847 nan 8.270 nan 0.000 0.455 1314 Y N -1.108 118.819 120.300 -0.622 0.000 2.534 1314 Y HA 0.639 5.191 4.550 0.002 0.000 0.345 1314 Y C -1.003 174.510 175.900 -0.644 0.000 1.031 1314 Y CA -1.336 56.468 58.100 -0.494 0.000 1.022 1314 Y CB 2.107 40.325 38.460 -0.402 0.000 1.292 1314 Y HN -0.103 nan 8.280 nan 0.000 0.459 1315 A N 2.673 125.284 122.820 -0.347 0.000 2.385 1315 A HA 0.748 5.069 4.320 0.002 0.000 0.290 1315 A C -1.982 175.664 177.584 0.103 0.000 1.094 1315 A CA -0.541 51.263 52.037 -0.389 0.000 0.729 1315 A CB 0.345 18.722 19.000 -1.039 0.000 1.194 1315 A HN 0.457 nan 8.150 nan 0.000 0.442 1316 F N 3.902 123.834 119.950 -0.030 0.000 2.350 1316 F HA 0.370 4.898 4.527 0.002 0.000 0.365 1316 F C 0.321 176.276 175.800 0.258 0.000 1.122 1316 F CA -1.707 56.345 58.000 0.087 0.000 1.139 1316 F CB 0.585 39.467 39.000 -0.197 0.000 1.220 1316 F HN 0.317 nan 8.300 nan 0.000 0.499 1317 I N 3.948 124.767 120.570 0.415 0.000 2.441 1317 I HA 0.052 4.223 4.170 0.002 0.000 0.287 1317 I C 0.984 177.148 176.117 0.078 0.000 1.049 1317 I CA -0.363 61.069 61.300 0.220 0.000 1.381 1317 I CB 0.918 39.020 38.000 0.170 0.000 1.409 1317 I HN 0.431 nan 8.210 nan 0.000 0.523 1318 N N 3.263 121.785 118.700 -0.296 0.000 2.413 1318 N HA -0.024 4.717 4.740 0.002 0.000 0.207 1318 N C -0.038 175.325 175.510 -0.244 0.000 1.206 1318 N CA -0.250 52.344 53.050 -0.760 0.000 0.832 1318 N CB 0.078 37.959 38.487 -1.011 0.000 1.037 1318 N HN 0.642 nan 8.380 nan 0.000 0.467 1319 S N -1.286 114.371 115.700 -0.072 0.000 2.757 1319 S HA 0.289 4.761 4.470 0.002 0.000 0.285 1319 S C -0.720 173.879 174.600 -0.001 0.000 1.196 1319 S CA -0.507 57.675 58.200 -0.030 0.000 0.856 1319 S CB 0.641 63.817 63.200 -0.040 0.000 1.212 1319 S HN 0.071 nan 8.310 nan 0.000 0.516 1320 D N -0.511 119.880 120.400 -0.014 0.000 2.340 1320 D HA 0.182 4.824 4.640 0.002 0.000 0.217 1320 D C 0.112 176.414 176.300 0.003 0.000 1.081 1320 D CA -0.028 53.967 54.000 -0.009 0.000 0.842 1320 D CB 0.180 40.964 40.800 -0.027 0.000 0.934 1320 D HN 0.405 nan 8.370 nan 0.000 0.511 1321 E N 0.857 121.058 120.200 0.002 0.000 2.134 1321 E HA 0.180 4.531 4.350 0.002 0.000 0.278 1321 E C -0.500 176.109 176.600 0.016 0.000 0.959 1321 E CA -0.785 55.616 56.400 0.002 0.000 0.783 1321 E CB 0.783 30.475 29.700 -0.013 0.000 1.095 1321 E HN 0.465 nan 8.360 nan 0.000 0.399 1322 Q N 4.108 123.925 119.800 0.028 0.000 2.286 1322 Q HA 0.484 4.825 4.340 0.002 0.000 0.257 1322 Q C -2.014 174.007 176.000 0.034 0.000 0.941 1322 Q CA -1.613 54.223 55.803 0.054 0.000 0.912 1322 Q CB 0.737 29.517 28.738 0.070 0.000 1.192 1322 Q HN 0.284 nan 8.270 nan 0.000 0.410 1323 P HA 0.004 nan 4.420 nan 0.000 0.273 1323 P C -0.606 176.715 177.300 0.034 0.000 1.250 1323 P CA -0.430 62.627 63.100 -0.073 0.000 0.793 1323 P CB 0.580 32.087 31.700 -0.322 0.000 1.011 1324 S N 0.626 116.331 115.700 0.008 0.000 2.573 1324 S HA 0.012 4.483 4.470 0.002 0.000 0.277 1324 S C 1.312 175.999 174.600 0.145 0.000 1.346 1324 S CA -0.566 57.675 58.200 0.068 0.000 1.034 1324 S CB 0.057 63.291 63.200 0.056 0.000 0.879 1324 S HN 0.503 nan 8.310 nan 0.000 0.528 1325 M N 0.900 120.587 119.600 0.144 0.000 2.106 1325 M HA -0.151 4.330 4.480 0.002 0.000 0.259 1325 M C 1.397 177.809 176.300 0.186 0.000 1.068 1325 M CA 2.102 57.512 55.300 0.184 0.000 1.100 1325 M CB -1.466 31.197 32.600 0.105 0.000 1.351 1325 M HN 0.863 nan 8.290 nan 0.000 0.404 1326 E N -0.825 119.447 120.200 0.121 0.000 2.204 1326 E HA -0.231 4.121 4.350 0.002 0.000 0.195 1326 E C 1.806 178.457 176.600 0.085 0.000 0.990 1326 E CA 1.387 57.846 56.400 0.097 0.000 0.821 1326 E CB -0.763 28.979 29.700 0.070 0.000 0.750 1326 E HN 0.715 nan 8.360 nan 0.000 0.477 1327 H N -1.398 117.614 119.070 -0.097 0.000 2.456 1327 H HA -0.100 4.457 4.556 0.002 0.000 0.296 1327 H C 0.499 175.615 175.328 -0.353 0.000 1.079 1327 H CA 1.219 57.087 56.048 -0.300 0.000 1.322 1327 H CB 0.050 29.486 29.762 -0.544 0.000 1.388 1327 H HN 0.134 nan 8.280 nan 0.000 0.538 1328 F N -0.285 119.817 119.950 0.254 0.000 2.639 1328 F HA 0.237 4.765 4.527 0.002 0.000 0.302 1328 F C 0.014 175.881 175.800 0.112 0.000 1.097 1328 F CA -0.304 57.795 58.000 0.165 0.000 1.294 1328 F CB 0.184 39.148 39.000 -0.060 0.000 1.027 1328 F HN -0.055 nan 8.300 nan 0.000 0.550 1329 L N 3.532 124.910 121.223 0.258 0.000 2.397 1329 L HA 0.250 4.591 4.340 0.002 0.000 0.271 1329 L C -1.933 175.132 176.870 0.325 0.000 1.148 1329 L CA -1.935 53.036 54.840 0.219 0.000 0.825 1329 L CB 0.286 42.429 42.059 0.140 0.000 1.117 1329 L HN -0.166 nan 8.230 nan 0.000 0.456 1330 P HA 0.173 nan 4.420 nan 0.000 0.271 1330 P C -0.740 176.693 177.300 0.221 0.000 1.216 1330 P CA 0.024 63.292 63.100 0.281 0.000 0.771 1330 P CB 0.776 32.478 31.700 0.003 0.000 0.864 1331 I N 2.795 123.517 120.570 0.255 0.000 2.336 1331 I HA 0.197 4.369 4.170 0.002 0.000 0.292 1331 I C 1.339 177.536 176.117 0.133 0.000 0.991 1331 I CA -0.032 61.353 61.300 0.141 0.000 1.227 1331 I CB 1.238 39.288 38.000 0.083 0.000 1.366 1331 I HN 0.354 nan 8.210 nan 0.000 0.466 1332 E N 3.939 124.191 120.200 0.086 0.000 2.485 1332 E HA 0.059 4.411 4.350 0.002 0.000 0.213 1332 E C -0.419 176.203 176.600 0.036 0.000 0.923 1332 E CA 0.102 56.548 56.400 0.077 0.000 1.054 1332 E CB 0.659 30.401 29.700 0.070 0.000 1.077 1332 E HN 0.465 nan 8.360 nan 0.000 0.509 1333 K N -0.536 119.877 120.400 0.021 0.000 2.208 1333 K HA 0.618 4.939 4.320 0.002 0.000 0.247 1333 K C 0.568 177.161 176.600 -0.013 0.000 0.953 1333 K CA -0.472 55.820 56.287 0.008 0.000 0.837 1333 K CB 1.117 33.623 32.500 0.010 0.000 1.131 1333 K HN 0.013 nan 8.250 nan 0.000 0.431 1334 G N 0.598 109.389 108.800 -0.015 0.000 2.160 1334 G HA2 -0.263 3.699 3.960 0.002 0.000 0.251 1334 G HA3 -0.263 3.699 3.960 0.002 0.000 0.251 1334 G C 0.433 175.292 174.900 -0.069 0.000 1.008 1334 G CA 0.516 45.596 45.100 -0.033 0.000 0.724 1334 G HN 0.523 nan 8.290 nan 0.000 0.514 1335 L N -0.439 120.738 121.223 -0.076 0.000 2.141 1335 L HA 0.017 4.359 4.340 0.002 0.000 0.209 1335 L C 2.577 179.374 176.870 -0.120 0.000 1.094 1335 L CA 1.666 56.402 54.840 -0.173 0.000 0.763 1335 L CB -0.361 41.514 42.059 -0.305 0.000 0.908 1335 L HN 0.396 nan 8.230 nan 0.000 0.437 1336 E N 0.054 120.259 120.200 0.009 0.000 2.472 1336 E HA -0.136 4.215 4.350 0.002 0.000 0.200 1336 E C 1.058 177.661 176.600 0.005 0.000 1.046 1336 E CA 0.430 56.867 56.400 0.062 0.000 0.871 1336 E CB 0.128 29.878 29.700 0.084 0.000 0.806 1336 E HN 0.452 nan 8.360 nan 0.000 0.533 1337 E N 0.091 120.268 120.200 -0.038 0.000 2.498 1337 E HA 0.115 4.466 4.350 0.002 0.000 0.203 1337 E C 0.307 176.854 176.600 -0.088 0.000 1.013 1337 E CA -0.030 56.343 56.400 -0.045 0.000 0.927 1337 E CB 0.324 30.001 29.700 -0.038 0.000 1.012 1337 E HN 0.237 nan 8.360 nan 0.000 0.482 1338 L N 3.765 124.893 121.223 -0.159 0.000 2.410 1338 L HA 0.071 4.413 4.340 0.002 0.000 0.273 1338 L C 0.820 177.627 176.870 -0.106 0.000 1.144 1338 L CA -0.368 54.287 54.840 -0.308 0.000 0.863 1338 L CB 0.126 41.886 42.059 -0.499 0.000 1.140 1338 L HN 0.047 nan 8.230 nan 0.000 0.463 1339 N N 3.214 121.923 118.700 0.015 0.000 2.513 1339 N HA 0.060 4.801 4.740 0.002 0.000 0.274 1339 N C -0.709 174.953 175.510 0.254 0.000 1.189 1339 N CA -0.498 52.639 53.050 0.144 0.000 0.975 1339 N CB 1.233 39.797 38.487 0.128 0.000 1.157 1339 N HN 0.320 nan 8.380 nan 0.000 0.465 1340 F N 1.360 121.350 119.950 0.067 0.000 2.472 1340 F HA 0.263 4.791 4.527 0.002 0.000 0.364 1340 F C 0.634 176.449 175.800 0.025 0.000 1.090 1340 F CA -1.165 56.864 58.000 0.049 0.000 1.188 1340 F CB 0.225 39.239 39.000 0.023 0.000 1.105 1340 F HN 0.540 nan 8.300 nan 0.000 0.536 1341 C N 4.835 123.800 119.300 -0.558 0.000 2.594 1341 C HA 0.455 4.917 4.460 0.002 0.000 0.265 1341 C C 1.278 175.807 174.990 -0.769 0.000 1.351 1341 C CA 0.583 59.267 59.018 -0.557 0.000 1.744 1341 C CB -1.638 25.865 27.740 -0.395 0.000 1.890 1341 C HN 1.278 nan 8.230 nan 0.000 0.551 1342 G N 1.145 109.078 108.800 -1.445 0.000 2.782 1342 G HA2 -0.143 3.818 3.960 0.002 0.000 0.228 1342 G HA3 -0.143 3.818 3.960 0.002 0.000 0.228 1342 G C -0.688 174.031 174.900 -0.302 0.000 1.372 1342 G CA -0.673 43.926 45.100 -0.835 0.000 0.862 1342 G HN 0.141 nan 8.290 nan 0.000 0.547 1343 I N 1.175 121.681 120.570 -0.107 0.000 2.328 1343 I HA 0.402 4.574 4.170 0.002 0.000 0.287 1343 I C 1.285 177.378 176.117 -0.040 0.000 1.012 1343 I CA -0.218 61.063 61.300 -0.032 0.000 1.195 1343 I CB 1.236 39.260 38.000 0.040 0.000 1.350 1343 I HN 0.689 nan 8.210 nan 0.000 0.464 1344 R N 2.656 123.126 120.500 -0.049 0.000 2.437 1344 R HA 0.237 4.579 4.340 0.002 0.000 0.257 1344 R C 0.269 176.554 176.300 -0.024 0.000 0.927 1344 R CA 0.010 56.080 56.100 -0.050 0.000 1.078 1344 R CB 0.910 31.163 30.300 -0.079 0.000 1.161 1344 R HN 0.587 nan 8.270 nan 0.000 0.529 1345 S N -0.752 114.945 115.700 -0.005 0.000 2.547 1345 S HA 0.247 4.718 4.470 0.002 0.000 0.270 1345 S C 0.411 175.028 174.600 0.030 0.000 1.150 1345 S CA -0.734 57.471 58.200 0.008 0.000 0.850 1345 S CB 1.097 64.298 63.200 0.001 0.000 1.118 1345 S HN 0.094 nan 8.310 nan 0.000 0.461 1346 L N 3.039 124.285 121.223 0.039 0.000 2.261 1346 L HA -0.107 4.235 4.340 0.002 0.000 0.216 1346 L C 2.010 178.928 176.870 0.079 0.000 1.114 1346 L CA 1.299 56.176 54.840 0.061 0.000 0.777 1346 L CB -0.619 41.479 42.059 0.065 0.000 0.910 1346 L HN 0.712 nan 8.230 nan 0.000 0.440 1347 N N -0.062 118.679 118.700 0.068 0.000 2.223 1347 N HA -0.168 4.573 4.740 0.002 0.000 0.185 1347 N C 1.844 177.417 175.510 0.105 0.000 1.016 1347 N CA 0.925 54.028 53.050 0.088 0.000 0.863 1347 N CB -0.122 38.382 38.487 0.030 0.000 0.983 1347 N HN 0.330 nan 8.380 nan 0.000 0.429 1348 A N 0.653 123.519 122.820 0.077 0.000 2.172 1348 A HA -0.017 4.304 4.320 0.002 0.000 0.216 1348 A C 1.737 179.380 177.584 0.097 0.000 1.154 1348 A CA 0.778 52.863 52.037 0.080 0.000 0.701 1348 A CB -0.327 18.703 19.000 0.051 0.000 0.789 1348 A HN 0.231 nan 8.150 nan 0.000 0.465 1349 L N -0.057 121.226 121.223 0.100 0.000 2.592 1349 L HA 0.086 4.427 4.340 0.002 0.000 0.227 1349 L C 0.437 177.368 176.870 0.101 0.000 1.127 1349 L CA -0.387 54.509 54.840 0.093 0.000 0.884 1349 L CB -0.317 41.791 42.059 0.082 0.000 1.065 1349 L HN 0.099 nan 8.230 nan 0.000 0.457 1350 S N 0.718 116.497 115.700 0.132 0.000 2.642 1350 S HA -0.007 4.465 4.470 0.002 0.000 0.308 1350 S C 0.433 175.080 174.600 0.079 0.000 1.255 1350 S CA 0.528 58.809 58.200 0.136 0.000 1.057 1350 S CB 0.531 63.860 63.200 0.214 0.000 0.785 1350 S HN 0.268 nan 8.310 nan 0.000 0.500 1351 T N 2.691 117.266 114.554 0.036 0.000 2.908 1351 T HA 0.742 5.093 4.350 0.002 0.000 0.290 1351 T C -0.404 174.263 174.700 -0.056 0.000 1.034 1351 T CA -0.898 61.177 62.100 -0.042 0.000 1.010 1351 T CB 0.395 69.243 68.868 -0.034 0.000 1.068 1351 T HN 0.592 nan 8.240 nan 0.000 0.481 1352 I N 0.043 120.527 120.570 -0.143 0.000 3.042 1352 I HA 0.888 5.059 4.170 0.002 0.000 0.310 1352 I C -0.980 175.095 176.117 -0.069 0.000 1.117 1352 I CA -0.860 60.396 61.300 -0.073 0.000 1.003 1352 I CB 2.426 40.421 38.000 -0.008 0.000 1.228 1352 I HN 0.571 nan 8.210 nan 0.000 0.443 1353 S N 2.548 118.238 115.700 -0.016 0.000 2.619 1353 S HA 0.658 5.130 4.470 0.002 0.000 0.280 1353 S C -1.142 173.474 174.600 0.026 0.000 1.150 1353 S CA -0.449 57.752 58.200 0.001 0.000 0.978 1353 S CB 1.586 64.777 63.200 -0.016 0.000 1.041 1353 S HN 0.530 nan 8.310 nan 0.000 0.485 1354 V N 3.954 123.899 119.914 0.052 0.000 2.427 1354 V HA 0.673 4.794 4.120 0.002 0.000 0.286 1354 V C 0.216 176.328 176.094 0.031 0.000 1.034 1354 V CA -0.504 61.830 62.300 0.057 0.000 0.893 1354 V CB 1.570 33.452 31.823 0.099 0.000 0.982 1354 V HN 0.832 nan 8.190 nan 0.000 0.452 1355 S N 4.550 120.250 115.700 0.000 0.000 2.539 1355 S HA 0.366 4.837 4.470 0.002 0.000 0.235 1355 S C 0.398 174.976 174.600 -0.037 0.000 1.326 1355 S CA -0.381 57.812 58.200 -0.012 0.000 1.183 1355 S CB -0.235 62.948 63.200 -0.028 0.000 1.073 1355 S HN 0.990 nan 8.310 nan 0.000 0.480 1356 N N 3.672 122.368 118.700 -0.007 0.000 1.866 1356 N HA -0.290 4.451 4.740 0.002 0.000 0.151 1356 N C 0.230 175.660 175.510 -0.134 0.000 0.464 1356 N CA 2.866 55.914 53.050 -0.004 0.000 1.302 1356 N CB -1.154 37.338 38.487 0.009 0.000 1.343 1356 N HN 0.717 nan 8.380 nan 0.000 0.418 1357 D N 0.383 120.603 120.400 -0.301 0.000 2.358 1357 D HA 0.151 4.792 4.640 0.002 0.000 0.224 1357 D C -0.458 175.551 176.300 -0.486 0.000 1.123 1357 D CA 0.394 53.934 54.000 -0.766 0.000 0.833 1357 D CB -0.045 40.197 40.800 -0.929 0.000 0.946 1357 D HN 0.316 nan 8.370 nan 0.000 0.505 1358 K N 0.721 120.972 120.400 -0.250 0.000 2.397 1358 K HA 0.469 4.791 4.320 0.002 0.000 0.253 1358 K C -0.480 176.085 176.600 -0.058 0.000 0.932 1358 K CA -0.628 55.569 56.287 -0.151 0.000 0.795 1358 K CB 2.655 35.078 32.500 -0.129 0.000 1.159 1358 K HN 0.057 nan 8.250 nan 0.000 0.424 1359 I N 3.683 124.270 120.570 0.028 0.000 2.362 1359 I HA 0.239 4.410 4.170 0.002 0.000 0.289 1359 I C -0.323 175.842 176.117 0.081 0.000 0.994 1359 I CA -0.920 60.450 61.300 0.117 0.000 1.158 1359 I CB 1.098 39.251 38.000 0.256 0.000 1.315 1359 I HN 0.152 nan 8.210 nan 0.000 0.451 1360 L N 7.258 128.486 121.223 0.008 0.000 2.275 1360 L HA 0.542 4.883 4.340 0.002 0.000 0.288 1360 L C -0.489 176.363 176.870 -0.029 0.000 1.046 1360 L CA -0.382 54.414 54.840 -0.073 0.000 0.805 1360 L CB 1.454 43.458 42.059 -0.091 0.000 1.193 1360 L HN 0.534 nan 8.230 nan 0.000 0.426 1361 L N 2.451 123.625 121.223 -0.081 0.000 2.438 1361 L HA 0.411 4.752 4.340 0.002 0.000 0.270 1361 L C -0.000 176.828 176.870 -0.070 0.000 0.972 1361 L CA -0.094 54.742 54.840 -0.008 0.000 0.831 1361 L CB 2.247 44.399 42.059 0.154 0.000 1.273 1361 L HN 0.485 nan 8.230 nan 0.000 0.405 1362 T N 2.392 116.938 114.554 -0.013 0.000 2.870 1362 T HA 0.122 4.473 4.350 0.002 0.000 0.300 1362 T C -0.701 174.039 174.700 0.066 0.000 0.989 1362 T CA 0.366 62.464 62.100 -0.002 0.000 1.139 1362 T CB 0.271 69.151 68.868 0.020 0.000 0.920 1362 T HN 0.604 nan 8.240 nan 0.000 0.537 1363 D N 3.331 123.762 120.400 0.052 0.000 2.462 1363 D HA 0.228 4.869 4.640 0.002 0.000 0.249 1363 D C 1.050 177.418 176.300 0.112 0.000 1.117 1363 D CA -0.456 53.636 54.000 0.154 0.000 0.900 1363 D CB 0.665 41.581 40.800 0.194 0.000 1.039 1363 D HN 0.328 nan 8.370 nan 0.000 0.516 1364 E N 2.150 122.428 120.200 0.130 0.000 2.153 1364 E HA -0.142 4.210 4.350 0.002 0.000 0.194 1364 E C 1.827 178.481 176.600 0.090 0.000 0.988 1364 E CA 0.825 57.299 56.400 0.122 0.000 0.811 1364 E CB -0.106 29.677 29.700 0.139 0.000 0.746 1364 E HN 0.619 nan 8.360 nan 0.000 0.466 1365 A N 1.000 123.877 122.820 0.095 0.000 1.978 1365 A HA -0.144 4.177 4.320 0.002 0.000 0.220 1365 A C 2.185 179.796 177.584 0.046 0.000 1.170 1365 A CA 2.213 54.292 52.037 0.070 0.000 0.636 1365 A CB -0.468 18.576 19.000 0.072 0.000 0.810 1365 A HN 0.331 nan 8.150 nan 0.000 0.448 1366 T N -5.410 109.169 114.554 0.041 0.000 3.132 1366 T HA 0.360 4.711 4.350 0.002 0.000 0.274 1366 T C 0.380 175.043 174.700 -0.061 0.000 1.011 1366 T CA 0.690 62.793 62.100 0.005 0.000 0.899 1366 T CB -0.149 68.738 68.868 0.031 0.000 1.089 1366 T HN 0.589 nan 8.240 nan 0.000 0.543 1367 S N 0.970 116.600 115.700 -0.116 0.000 3.706 1367 S HA -0.128 4.344 4.470 0.002 0.000 0.363 1367 S C 0.374 174.814 174.600 -0.268 0.000 0.999 1367 S CA 0.640 58.642 58.200 -0.329 0.000 1.143 1367 S CB -2.281 60.700 63.200 -0.365 0.000 0.902 1367 S HN 1.365 nan 8.310 nan 0.000 0.476 1368 S N -0.387 115.216 115.700 -0.161 0.000 2.651 1368 S HA 0.883 5.354 4.470 0.002 0.000 0.279 1368 S C -0.734 173.775 174.600 -0.152 0.000 1.148 1368 S CA -1.147 56.963 58.200 -0.151 0.000 0.837 1368 S CB 1.849 64.985 63.200 -0.106 0.000 1.138 1368 S HN 0.319 nan 8.310 nan 0.000 0.478 1369 I N 1.754 122.199 120.570 -0.208 0.000 2.418 1369 I HA 0.425 4.597 4.170 0.002 0.000 0.287 1369 I C -0.980 174.957 176.117 -0.299 0.000 1.008 1369 I CA -1.045 60.111 61.300 -0.239 0.000 1.104 1369 I CB 1.988 39.816 38.000 -0.286 0.000 1.264 1369 I HN 0.419 nan 8.210 nan 0.000 0.438 1370 V N 6.823 126.502 119.914 -0.393 0.000 2.481 1370 V HA 0.357 4.479 4.120 0.002 0.000 0.286 1370 V C 0.054 175.734 176.094 -0.690 0.000 1.042 1370 V CA -0.486 61.423 62.300 -0.652 0.000 0.928 1370 V CB 1.744 32.933 31.823 -1.056 0.000 0.986 1370 V HN 0.705 nan 8.190 nan 0.000 0.462 1371 M N 5.505 124.694 119.600 -0.685 0.000 2.072 1371 M HA 0.552 5.033 4.480 0.002 0.000 0.331 1371 M C -1.651 174.245 176.300 -0.674 0.000 1.004 1371 M CA -0.317 54.669 55.300 -0.523 0.000 0.952 1371 M CB 0.681 33.083 32.600 -0.329 0.000 1.511 1371 M HN 0.481 nan 8.290 nan 0.000 0.422 1372 F N 2.445 122.173 119.950 -0.370 0.000 2.411 1372 F HA 0.321 4.849 4.527 0.002 0.000 0.350 1372 F C 0.612 176.224 175.800 -0.314 0.000 1.114 1372 F CA -0.216 57.525 58.000 -0.432 0.000 1.135 1372 F CB 1.484 40.297 39.000 -0.311 0.000 1.120 1372 F HN 0.456 nan 8.300 nan 0.000 0.495 1373 S N 4.807 120.410 115.700 -0.162 0.000 2.592 1373 S HA 0.274 4.745 4.470 0.002 0.000 0.305 1373 S C 1.390 175.875 174.600 -0.192 0.000 1.118 1373 S CA -0.505 57.585 58.200 -0.183 0.000 1.075 1373 S CB -0.052 63.048 63.200 -0.167 0.000 1.107 1373 S HN 0.576 nan 8.310 nan 0.000 0.503 1374 L N 2.496 123.546 121.223 -0.287 0.000 2.265 1374 L HA -0.134 4.207 4.340 0.002 0.000 0.215 1374 L C 2.342 179.030 176.870 -0.304 0.000 1.117 1374 L CA 0.675 55.310 54.840 -0.341 0.000 0.782 1374 L CB -0.549 41.070 42.059 -0.733 0.000 0.914 1374 L HN 0.608 nan 8.230 nan 0.000 0.441 1375 N N 0.281 118.775 118.700 -0.343 0.000 2.457 1375 N HA -0.125 4.616 4.740 0.002 0.000 0.180 1375 N C 0.384 175.895 175.510 0.001 0.000 1.050 1375 N CA 0.663 53.660 53.050 -0.088 0.000 0.906 1375 N CB 0.258 38.672 38.487 -0.122 0.000 0.968 1375 N HN 0.284 nan 8.380 nan 0.000 0.445 1376 E N -0.212 119.964 120.200 -0.039 0.000 2.683 1376 E HA 0.235 4.587 4.350 0.002 0.000 0.389 1376 E C 0.174 176.752 176.600 -0.037 0.000 1.040 1376 E CA -0.140 56.254 56.400 -0.010 0.000 0.739 1376 E CB 0.034 29.725 29.700 -0.015 0.000 1.597 1376 E HN 0.009 nan 8.360 nan 0.000 0.381 1377 L N 1.147 122.359 121.223 -0.019 0.000 2.127 1377 L HA -0.167 4.174 4.340 0.002 0.000 0.211 1377 L C 2.115 178.960 176.870 -0.040 0.000 1.089 1377 L CA 1.777 56.578 54.840 -0.065 0.000 0.757 1377 L CB -0.487 41.547 42.059 -0.041 0.000 0.899 1377 L HN 0.564 nan 8.230 nan 0.000 0.434 1378 S N -2.008 113.697 115.700 0.007 0.000 2.500 1378 S HA -0.110 4.361 4.470 0.002 0.000 0.239 1378 S C 1.750 176.358 174.600 0.014 0.000 0.989 1378 S CA 1.175 59.395 58.200 0.033 0.000 0.951 1378 S CB -0.232 62.989 63.200 0.036 0.000 0.759 1378 S HN 0.319 nan 8.310 nan 0.000 0.523 1379 S N 1.310 116.991 115.700 -0.032 0.000 2.575 1379 S HA 0.285 4.757 4.470 0.002 0.000 0.215 1379 S C 0.496 175.027 174.600 -0.115 0.000 0.966 1379 S CA -0.318 57.849 58.200 -0.054 0.000 0.911 1379 S CB -0.033 63.129 63.200 -0.063 0.000 0.780 1379 S HN 0.508 nan 8.310 nan 0.000 0.514 1380 S N 3.066 118.661 115.700 -0.174 0.000 2.560 1380 S HA 0.254 4.726 4.470 0.002 0.000 0.284 1380 S C 0.137 174.515 174.600 -0.370 0.000 1.327 1380 S CA 0.004 57.944 58.200 -0.433 0.000 1.055 1380 S CB 0.331 63.126 63.200 -0.676 0.000 0.868 1380 S HN 0.623 nan 8.310 nan 0.000 0.506 1381 K N -0.587 119.513 120.400 -0.500 0.000 2.597 1381 K HA 0.646 4.968 4.320 0.002 0.000 0.282 1381 K C -1.580 174.869 176.600 -0.251 0.000 0.975 1381 K CA -1.106 55.087 56.287 -0.156 0.000 0.867 1381 K CB 1.302 33.751 32.500 -0.085 0.000 1.465 1381 K HN 0.435 nan 8.250 nan 0.000 0.417 1382 A N 2.087 124.873 122.820 -0.058 0.000 2.544 1382 A HA 0.316 4.637 4.320 0.002 0.000 0.301 1382 A C 1.080 178.574 177.584 -0.149 0.000 1.368 1382 A CA -0.459 51.498 52.037 -0.134 0.000 1.045 1382 A CB -0.641 18.328 19.000 -0.052 0.000 1.129 1382 A HN 0.684 nan 8.150 nan 0.000 0.540 1383 V N 1.924 121.714 119.914 -0.206 0.000 2.515 1383 V HA -0.017 4.104 4.120 0.002 0.000 0.250 1383 V C 0.800 176.797 176.094 -0.162 0.000 1.058 1383 V CA 1.202 63.398 62.300 -0.174 0.000 1.064 1383 V CB -1.072 30.633 31.823 -0.196 0.000 0.675 1383 V HN 0.638 nan 8.190 nan 0.000 0.461 1384 I N 1.471 121.914 120.570 -0.212 0.000 2.447 1384 I HA 0.632 4.803 4.170 0.002 0.000 0.287 1384 I C -0.334 175.680 176.117 -0.172 0.000 1.023 1384 I CA 0.118 61.283 61.300 -0.225 0.000 1.083 1384 I CB 1.866 39.585 38.000 -0.468 0.000 1.245 1384 I HN 0.385 nan 8.210 nan 0.000 0.434 1385 S N 6.057 121.693 115.700 -0.107 0.000 2.611 1385 S HA 0.673 5.144 4.470 0.002 0.000 0.268 1385 S C -2.791 171.776 174.600 -0.055 0.000 1.156 1385 S CA -1.050 57.096 58.200 -0.089 0.000 0.817 1385 S CB 1.175 64.331 63.200 -0.074 0.000 1.122 1385 S HN 0.418 nan 8.310 nan 0.000 0.466 1390 S N 1.674 117.358 115.700 -0.027 0.000 2.062 1390 S HA 0.582 5.054 4.470 0.002 0.000 0.163 1390 S C -0.966 173.614 174.600 -0.033 0.000 1.612 1390 S CA -0.175 58.011 58.200 -0.024 0.000 1.251 1390 S CB -0.581 62.607 63.200 -0.020 0.000 1.174 1390 S HN 0.532 nan 8.310 nan 0.000 0.428 1391 D N 1.529 121.904 120.400 -0.042 0.000 2.357 1391 D HA 0.458 5.100 4.640 0.002 0.000 0.242 1391 D C 0.448 176.686 176.300 -0.103 0.000 1.153 1391 D CA 0.120 54.053 54.000 -0.112 0.000 0.918 1391 D CB 1.698 42.386 40.800 -0.187 0.000 1.181 1391 D HN 0.524 nan 8.370 nan 0.000 0.435 1392 V N -1.140 118.649 119.914 -0.208 0.000 2.823 1392 V HA 0.694 4.815 4.120 0.002 0.000 0.312 1392 V C -1.047 174.883 176.094 -0.273 0.000 1.072 1392 V CA -0.865 61.372 62.300 -0.104 0.000 0.937 1392 V CB 1.436 33.234 31.823 -0.040 0.000 1.013 1392 V HN 0.317 nan 8.190 nan 0.000 0.430 1393 F N 3.737 123.674 119.950 -0.021 0.000 2.482 1393 F HA 0.766 5.294 4.527 0.003 0.000 0.331 1393 F C -0.208 175.591 175.800 -0.002 0.000 1.115 1393 F CA -0.612 57.386 58.000 -0.002 0.000 0.955 1393 F CB 2.022 41.004 39.000 -0.030 0.000 1.136 1393 F HN 0.359 nan 8.300 nan 0.000 0.452 1394 I N 5.731 126.382 120.570 0.135 0.000 2.420 1394 I HA 0.321 4.492 4.170 0.002 0.000 0.282 1394 I C -2.432 173.744 176.117 0.099 0.000 1.019 1394 I CA -2.141 59.212 61.300 0.088 0.000 1.130 1394 I CB 1.438 39.464 38.000 0.045 0.000 1.262 1394 I HN 0.241 nan 8.210 nan 0.000 0.454 1395 P HA 0.242 nan 4.420 nan 0.000 0.281 1395 P C -0.670 176.678 177.300 0.081 0.000 1.252 1395 P CA -0.278 62.883 63.100 0.100 0.000 0.778 1395 P CB 0.970 32.731 31.700 0.102 0.000 0.895 1396 T N 3.034 117.635 114.554 0.077 0.000 2.840 1396 T HA 0.228 4.580 4.350 0.002 0.000 0.287 1396 T C -0.389 174.334 174.700 0.038 0.000 0.991 1396 T CA -0.473 61.658 62.100 0.052 0.000 0.964 1396 T CB 0.999 69.894 68.868 0.046 0.000 0.954 1396 T HN 0.366 nan 8.240 nan 0.000 0.438 1397 Q N 3.333 123.148 119.800 0.026 0.000 2.293 1397 Q HA 0.322 4.664 4.340 0.002 0.000 0.263 1397 Q C 0.034 176.030 176.000 -0.007 0.000 1.002 1397 Q CA -0.204 55.600 55.803 0.001 0.000 0.910 1397 Q CB 0.684 29.422 28.738 0.001 0.000 1.185 1397 Q HN 0.520 nan 8.270 nan 0.000 0.401 1398 V N 2.937 122.837 119.914 -0.024 0.000 2.922 1398 V HA 0.062 4.184 4.120 0.002 0.000 0.242 1398 V C 0.772 176.858 176.094 -0.013 0.000 1.094 1398 V CA 1.459 63.754 62.300 -0.010 0.000 1.106 1398 V CB 0.923 32.745 31.823 -0.000 0.000 0.799 1398 V HN 0.979 nan 8.190 nan 0.000 0.474 1399 T N -3.907 110.626 114.554 -0.034 0.000 2.838 1399 T HA 0.660 5.011 4.350 0.002 0.000 0.292 1399 T C 1.015 175.685 174.700 -0.050 0.000 1.113 1399 T CA 0.129 62.210 62.100 -0.032 0.000 1.008 1399 T CB 1.826 70.681 68.868 -0.021 0.000 1.259 1399 T HN 0.046 nan 8.240 nan 0.000 0.520 1400 A N 0.633 123.422 122.820 -0.052 0.000 2.084 1400 A HA -0.058 4.263 4.320 0.002 0.000 0.221 1400 A C 1.871 179.401 177.584 -0.090 0.000 1.161 1400 A CA 1.687 53.685 52.037 -0.065 0.000 0.653 1400 A CB -0.911 18.047 19.000 -0.070 0.000 0.802 1400 A HN 0.741 nan 8.150 nan 0.000 0.457 1401 N N -2.168 116.477 118.700 -0.092 0.000 2.166 1401 N HA 0.226 4.967 4.740 0.002 0.000 0.213 1401 N C -0.776 174.680 175.510 -0.089 0.000 1.222 1401 N CA 0.018 53.020 53.050 -0.080 0.000 0.900 1401 N CB 0.828 39.242 38.487 -0.122 0.000 1.055 1401 N HN 0.382 nan 8.380 nan 0.000 0.515 1402 L N 0.646 121.768 121.223 -0.170 0.000 2.406 1402 L HA 0.521 4.863 4.340 0.002 0.000 0.272 1402 L C -0.995 175.718 176.870 -0.262 0.000 0.980 1402 L CA -0.123 54.531 54.840 -0.310 0.000 0.831 1402 L CB 2.014 43.913 42.059 -0.266 0.000 1.253 1402 L HN -0.214 nan 8.230 nan 0.000 0.406 1403 T N 6.190 120.537 114.554 -0.344 0.000 2.797 1403 T HA 0.584 4.935 4.350 0.002 0.000 0.279 1403 T C -0.232 174.439 174.700 -0.049 0.000 0.991 1403 T CA -0.323 61.706 62.100 -0.118 0.000 0.979 1403 T CB 1.042 69.925 68.868 0.025 0.000 0.943 1403 T HN 0.541 nan 8.240 nan 0.000 0.444 1404 M N 3.292 122.894 119.600 0.004 0.000 2.300 1404 M HA 0.458 4.939 4.480 0.002 0.000 0.348 1404 M C -0.932 175.459 176.300 0.151 0.000 1.151 1404 M CA -0.947 54.384 55.300 0.052 0.000 1.046 1404 M CB 1.544 34.162 32.600 0.030 0.000 1.647 1404 M HN 0.309 nan 8.290 nan 0.000 0.451 1405 L N 5.179 126.545 121.223 0.238 0.000 2.276 1405 L HA 0.517 4.859 4.340 0.002 0.000 0.286 1405 L C -1.199 175.822 176.870 0.253 0.000 1.024 1405 L CA -0.073 54.893 54.840 0.210 0.000 0.826 1405 L CB 0.590 42.685 42.059 0.060 0.000 1.211 1405 L HN 0.605 nan 8.230 nan 0.000 0.422 1406 L N 4.619 125.951 121.223 0.182 0.000 2.357 1406 L HA 0.536 4.877 4.340 0.002 0.000 0.273 1406 L C 0.152 177.065 176.870 0.073 0.000 1.080 1406 L CA -0.633 54.285 54.840 0.132 0.000 0.803 1406 L CB 1.224 43.323 42.059 0.067 0.000 1.174 1406 L HN 0.610 nan 8.230 nan 0.000 0.443 1407 R N 2.750 123.249 120.500 -0.003 0.000 2.295 1407 R HA 0.342 4.683 4.340 0.002 0.000 0.324 1407 R C -0.870 175.299 176.300 -0.218 0.000 0.968 1407 R CA -0.626 55.291 56.100 -0.304 0.000 0.837 1407 R CB 1.073 31.233 30.300 -0.233 0.000 1.133 1407 R HN 0.479 nan 8.270 nan 0.000 0.450 1408 K N 4.192 124.431 120.400 -0.268 0.000 2.265 1408 K HA 0.458 4.779 4.320 0.002 0.000 0.267 1408 K C -0.336 176.166 176.600 -0.163 0.000 0.994 1408 K CA -0.386 55.809 56.287 -0.154 0.000 0.860 1408 K CB 1.500 33.937 32.500 -0.105 0.000 1.099 1408 K HN 0.647 nan 8.250 nan 0.000 0.448 1409 M N 2.183 121.718 119.600 -0.107 0.000 2.233 1409 M HA 0.425 4.906 4.480 0.002 0.000 0.350 1409 M C 0.603 176.863 176.300 -0.065 0.000 1.176 1409 M CA 0.077 55.327 55.300 -0.084 0.000 1.150 1409 M CB -0.612 31.957 32.600 -0.052 0.000 1.530 1409 M HN 0.847 nan 8.290 nan 0.000 0.459 1425 D N 4.367 124.471 120.400 -0.493 0.000 2.294 1425 D HA 0.255 4.896 4.640 0.002 0.000 0.250 1425 D C 0.920 176.891 176.300 -0.548 0.000 1.058 1425 D CA -0.481 53.291 54.000 -0.379 0.000 0.950 1425 D CB 1.913 42.596 40.800 -0.194 0.000 1.158 1425 D HN 0.424 nan 8.370 nan 0.000 0.453 1426 I N 1.705 122.136 120.570 -0.232 0.000 2.741 1426 I HA -0.094 4.077 4.170 0.002 0.000 0.288 1426 I C 0.648 176.715 176.117 -0.083 0.000 1.192 1426 I CA 0.331 61.571 61.300 -0.100 0.000 1.426 1426 I CB 0.204 38.198 38.000 -0.011 0.000 1.367 1426 I HN 0.088 nan 8.210 nan 0.000 0.563 1427 I N 7.608 128.168 120.570 -0.017 0.000 2.471 1427 I HA 0.036 4.208 4.170 0.002 0.000 0.286 1427 I C 1.072 177.198 176.117 0.015 0.000 1.079 1427 I CA 0.077 61.381 61.300 0.006 0.000 1.398 1427 I CB 0.495 38.526 38.000 0.053 0.000 1.403 1427 I HN 0.604 nan 8.210 nan 0.000 0.530 1428 N N 2.597 121.301 118.700 0.006 0.000 2.409 1428 N HA 0.040 4.782 4.740 0.002 0.000 0.174 1428 N C 0.016 175.533 175.510 0.012 0.000 1.037 1428 N CA 0.444 53.503 53.050 0.015 0.000 0.898 1428 N CB 0.517 39.014 38.487 0.016 0.000 1.010 1428 N HN 0.537 nan 8.380 nan 0.000 0.445 1429 S N -0.176 115.526 115.700 0.004 0.000 2.543 1429 S HA 0.625 5.097 4.470 0.002 0.000 0.273 1429 S C -1.474 173.120 174.600 -0.011 0.000 1.152 1429 S CA -0.823 57.374 58.200 -0.004 0.000 0.910 1429 S CB 0.565 63.766 63.200 0.002 0.000 1.105 1429 S HN 0.158 nan 8.310 nan 0.000 0.465 1430 I N 0.767 121.325 120.570 -0.020 0.000 2.689 1430 I HA 0.888 5.060 4.170 0.002 0.000 0.299 1430 I C -0.562 175.542 176.117 -0.022 0.000 1.059 1430 I CA -0.610 60.677 61.300 -0.022 0.000 1.055 1430 I CB 2.340 40.318 38.000 -0.037 0.000 1.243 1430 I HN 0.431 nan 8.210 nan 0.000 0.425 1431 S N 1.937 117.626 115.700 -0.018 0.000 2.569 1431 S HA 0.795 5.267 4.470 0.002 0.000 0.280 1431 S C -0.568 174.023 174.600 -0.016 0.000 1.111 1431 S CA -0.672 57.517 58.200 -0.018 0.000 0.887 1431 S CB 2.242 65.427 63.200 -0.024 0.000 1.095 1431 S HN 0.894 nan 8.310 nan 0.000 0.476 1432 T N -1.208 113.336 114.554 -0.016 0.000 2.893 1432 T HA 0.858 5.209 4.350 0.002 0.000 0.293 1432 T C -0.239 174.451 174.700 -0.016 0.000 1.027 1432 T CA -0.789 61.301 62.100 -0.016 0.000 0.988 1432 T CB 0.456 69.311 68.868 -0.022 0.000 1.043 1432 T HN 1.171 nan 8.240 nan 0.000 0.461 1433 C N 0.568 119.860 119.300 -0.013 0.000 3.272 1433 C HA 0.822 5.283 4.460 0.002 0.000 0.363 1433 C C -1.496 173.489 174.990 -0.008 0.000 1.514 1433 C CA -0.983 58.026 59.018 -0.015 0.000 1.185 1433 C CB 0.700 28.426 27.740 -0.022 0.000 1.716 1433 C HN 1.087 nan 8.230 nan 0.000 0.440 1434 E N 0.167 120.363 120.200 -0.007 0.000 2.212 1434 E HA 0.633 4.984 4.350 0.002 0.000 0.268 1434 E C -1.394 175.209 176.600 0.004 0.000 0.902 1434 E CA -0.599 55.800 56.400 -0.002 0.000 0.779 1434 E CB 2.323 32.020 29.700 -0.004 0.000 1.172 1434 E HN 0.535 nan 8.360 nan 0.000 0.409 1435 V N 3.290 123.210 119.914 0.009 0.000 2.326 1435 V HA 0.127 4.248 4.120 0.002 0.000 0.281 1435 V C -0.666 175.435 176.094 0.012 0.000 1.015 1435 V CA -0.750 61.559 62.300 0.015 0.000 0.823 1435 V CB 0.978 32.816 31.823 0.024 0.000 1.009 1435 V HN 0.770 nan 8.190 nan 0.000 0.436 1436 D N 3.359 123.765 120.400 0.009 0.000 2.746 1436 D HA -0.091 4.550 4.640 0.002 0.000 0.241 1436 D C 0.733 177.035 176.300 0.003 0.000 1.140 1436 D CA 1.996 55.999 54.000 0.006 0.000 0.707 1436 D CB -0.685 40.119 40.800 0.007 0.000 1.034 1436 D HN 1.458 nan 8.370 nan 0.000 0.423 1437 E N -2.028 118.173 120.200 0.001 0.000 5.952 1437 E HA -0.093 4.259 4.350 0.002 0.000 0.178 1437 E C 0.496 177.096 176.600 0.000 0.000 1.486 1437 E CA 1.587 57.986 56.400 -0.001 0.000 2.534 1437 E CB -1.671 nan 29.700 nan 0.000 1.952 1437 E HN 1.431 nan 8.360 nan 0.000 0.448 1438 T N -0.170 114.384 114.554 -0.001 0.000 1.884 1438 T HA 0.060 4.412 4.350 0.002 0.000 0.603 1438 T C -1.823 172.878 174.700 0.002 0.000 0.914 1438 T CA 0.633 62.734 62.100 0.001 0.000 3.205 1438 T CB -1.151 67.720 68.868 0.005 0.000 1.886 1438 T HN 1.216 nan 8.240 nan 0.000 0.439 1439 P HA 0.547 nan 4.420 nan 0.000 0.272 1439 P C -0.108 177.198 177.300 0.009 0.000 1.223 1439 P CA -0.619 62.479 63.100 -0.003 0.000 0.784 1439 P CB 0.803 32.495 31.700 -0.014 0.000 0.923 1440 L N 0.280 121.511 121.223 0.013 0.000 2.465 1440 L HA 0.732 5.073 4.340 0.002 0.000 0.257 1440 L C -1.674 175.216 176.870 0.033 0.000 0.988 1440 L CA -1.253 53.607 54.840 0.034 0.000 0.827 1440 L CB 2.117 44.196 42.059 0.034 0.000 1.397 1440 L HN 0.239 nan 8.230 nan 0.000 0.410 1441 L N 2.720 123.988 121.223 0.074 0.000 2.346 1441 L HA 0.834 5.175 4.340 0.002 0.000 0.276 1441 L C -1.297 175.654 176.870 0.136 0.000 1.006 1441 L CA -0.685 54.193 54.840 0.063 0.000 0.817 1441 L CB 2.070 44.133 42.059 0.007 0.000 1.272 1441 L HN 0.594 nan 8.230 nan 0.000 0.421 1442 V N 4.242 124.198 119.914 0.071 0.000 2.448 1442 V HA 0.774 4.896 4.120 0.002 0.000 0.295 1442 V C 0.032 176.160 176.094 0.056 0.000 1.025 1442 V CA -0.435 61.900 62.300 0.057 0.000 0.859 1442 V CB 1.328 33.137 31.823 -0.024 0.000 0.988 1442 V HN 0.862 nan 8.190 nan 0.000 0.431 1443 A N 3.871 126.756 122.820 0.108 0.000 2.331 1443 A HA 0.752 5.073 4.320 0.002 0.000 0.320 1443 A C -0.585 177.009 177.584 0.016 0.000 1.138 1443 A CA -0.353 51.727 52.037 0.073 0.000 0.790 1443 A CB 1.103 20.187 19.000 0.141 0.000 1.206 1443 A HN 0.838 nan 8.150 nan 0.000 0.470 1444 C N 2.464 121.757 119.300 -0.012 0.000 2.408 1444 C HA 0.746 5.208 4.460 0.002 0.000 0.321 1444 C C -0.351 174.624 174.990 -0.025 0.000 1.245 1444 C CA -0.573 58.422 59.018 -0.039 0.000 1.523 1444 C CB 1.018 28.732 27.740 -0.043 0.000 2.178 1444 C HN 0.988 nan 8.230 nan 0.000 0.488 1445 D N 1.284 121.661 120.400 -0.038 0.000 2.467 1445 D HA 0.255 4.897 4.640 0.002 0.000 0.245 1445 D C 0.417 176.694 176.300 -0.038 0.000 1.038 1445 D CA -0.625 53.346 54.000 -0.050 0.000 1.038 1445 D CB 0.435 41.178 40.800 -0.094 0.000 1.278 1445 D HN 0.464 nan 8.370 nan 0.000 0.564 1446 N N -0.872 117.802 118.700 -0.042 0.000 2.515 1446 N HA -0.091 4.650 4.740 0.002 0.000 0.191 1446 N C 0.620 176.119 175.510 -0.019 0.000 1.182 1446 N CA 0.567 53.605 53.050 -0.020 0.000 0.879 1446 N CB -0.285 38.195 38.487 -0.013 0.000 0.984 1446 N HN 0.337 nan 8.380 nan 0.000 0.453 1447 S N -2.474 113.207 115.700 -0.031 0.000 2.559 1447 S HA 0.416 4.887 4.470 0.002 0.000 0.226 1447 S C 1.219 175.811 174.600 -0.014 0.000 1.000 1447 S CA 0.087 58.274 58.200 -0.023 0.000 0.948 1447 S CB -0.223 62.956 63.200 -0.035 0.000 0.870 1447 S HN 0.493 nan 8.310 nan 0.000 0.497 1448 G N 0.711 109.503 108.800 -0.013 0.000 2.144 1448 G HA2 -0.182 3.779 3.960 0.002 0.000 0.218 1448 G HA3 -0.182 3.779 3.960 0.002 0.000 0.218 1448 G C -0.359 174.528 174.900 -0.021 0.000 0.988 1448 G CA 0.091 45.191 45.100 -0.000 0.000 0.659 1448 G HN 0.646 nan 8.290 nan 0.000 0.522 1449 L N 1.209 122.403 121.223 -0.047 0.000 2.325 1449 L HA 0.821 5.163 4.340 0.002 0.000 0.279 1449 L C 0.218 177.023 176.870 -0.108 0.000 1.054 1449 L CA -1.088 53.706 54.840 -0.076 0.000 0.804 1449 L CB 1.023 43.041 42.059 -0.069 0.000 1.200 1449 L HN 0.154 nan 8.230 nan 0.000 0.436 1450 I N 4.024 124.487 120.570 -0.177 0.000 2.377 1450 I HA 0.540 4.711 4.170 0.002 0.000 0.293 1450 I C 0.474 176.473 176.117 -0.195 0.000 0.987 1450 I CA -0.472 60.696 61.300 -0.220 0.000 1.185 1450 I CB 1.639 39.391 38.000 -0.414 0.000 1.341 1450 I HN 0.723 nan 8.210 nan 0.000 0.455 1451 G N 6.926 115.657 108.800 -0.116 0.000 2.415 1451 G HA2 0.756 4.717 3.960 0.002 0.000 0.327 1451 G HA3 0.756 4.717 3.960 0.002 0.000 0.327 1451 G C -0.786 173.990 174.900 -0.207 0.000 1.182 1451 G CA -0.471 44.508 45.100 -0.200 0.000 0.924 1451 G HN 0.483 nan 8.290 nan 0.000 0.470 1452 I N 1.590 121.918 120.570 -0.403 0.000 2.382 1452 I HA 0.386 4.557 4.170 0.002 0.000 0.286 1452 I C -1.070 174.819 176.117 -0.379 0.000 1.002 1452 I CA -0.480 60.680 61.300 -0.232 0.000 1.135 1452 I CB 1.677 39.589 38.000 -0.146 0.000 1.288 1452 I HN 0.255 nan 8.210 nan 0.000 0.448 1453 F N 4.436 124.359 119.950 -0.044 0.000 2.495 1453 F HA 0.491 5.020 4.527 0.002 0.000 0.327 1453 F C 0.443 176.224 175.800 -0.033 0.000 1.103 1453 F CA -0.500 57.477 58.000 -0.038 0.000 0.949 1453 F CB 1.746 40.719 39.000 -0.044 0.000 1.142 1453 F HN 0.408 nan 8.300 nan 0.000 0.457 1454 Q N 0.000 119.881 119.800 0.135 0.000 2.315 1454 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 1454 Q CA 0.000 55.849 55.803 0.077 0.000 1.022 1454 Q CB 0.000 28.760 28.738 0.037 0.000 1.108 1454 Q HN 0.000 nan 8.270 nan 0.000 0.481