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 1mx5_1_A DATA FIRST_RESID 1021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1021 S HA 0.000 nan 4.470 nan 0.000 0.327 1021 S C 0.000 174.691 174.600 0.151 0.000 1.055 1021 S CA 0.000 58.275 58.200 0.126 0.000 1.107 1021 S CB 0.000 63.276 63.200 0.126 0.000 0.593 1022 S N 2.402 118.186 115.700 0.139 0.000 2.714 1022 S HA 0.289 4.758 4.470 -0.001 0.000 0.318 1022 S C -2.246 172.437 174.600 0.137 0.000 1.219 1022 S CA -0.436 57.834 58.200 0.117 0.000 1.175 1022 S CB -0.950 62.314 63.200 0.107 0.000 0.961 1022 S HN 0.460 nan 8.310 nan 0.000 0.518 1023 P HA 0.122 nan 4.420 nan 0.000 0.263 1023 P C -2.496 174.706 177.300 -0.163 0.000 1.175 1023 P CA -0.822 62.207 63.100 -0.120 0.000 0.761 1023 P CB -0.195 31.448 31.700 -0.095 0.000 0.794 1024 P HA 0.076 nan 4.420 nan 0.000 0.271 1024 P C -0.872 176.458 177.300 0.049 0.000 1.226 1024 P CA 0.343 63.299 63.100 -0.240 0.000 0.765 1024 P CB 0.461 31.852 31.700 -0.516 0.000 0.835 1025 V N 5.300 125.279 119.914 0.108 0.000 2.357 1025 V HA 0.187 4.306 4.120 -0.001 0.000 0.281 1025 V C 0.075 176.204 176.094 0.058 0.000 1.015 1025 V CA -0.603 61.779 62.300 0.137 0.000 0.827 1025 V CB 1.834 33.712 31.823 0.091 0.000 1.018 1025 V HN 0.233 nan 8.190 nan 0.000 0.432 1026 V N 3.345 123.249 119.914 -0.016 0.000 2.539 1026 V HA 0.426 4.546 4.120 -0.001 0.000 0.292 1026 V C -0.079 175.901 176.094 -0.191 0.000 1.045 1026 V CA -0.471 61.642 62.300 -0.312 0.000 0.945 1026 V CB 2.019 33.232 31.823 -1.018 0.000 0.993 1026 V HN 0.782 nan 8.190 nan 0.000 0.464 1027 D N 2.752 123.034 120.400 -0.196 0.000 2.274 1027 D HA 0.444 5.083 4.640 -0.001 0.000 0.239 1027 D C 0.083 176.299 176.300 -0.141 0.000 1.104 1027 D CA -0.007 53.931 54.000 -0.104 0.000 0.840 1027 D CB 1.776 42.524 40.800 -0.087 0.000 1.100 1027 D HN 0.786 nan 8.370 nan 0.000 0.477 1028 T N -0.658 113.860 114.554 -0.060 0.000 2.919 1028 T HA 0.309 4.659 4.350 -0.001 0.000 0.282 1028 T C 1.533 176.125 174.700 -0.180 0.000 1.020 1028 T CA -0.663 61.393 62.100 -0.074 0.000 0.994 1028 T CB 0.861 69.825 68.868 0.160 0.000 1.180 1028 T HN 0.022 nan 8.240 nan 0.000 0.566 1029 V N 1.112 120.859 119.914 -0.278 0.000 2.332 1029 V HA -0.143 3.976 4.120 -0.001 0.000 0.248 1029 V C 2.360 178.249 176.094 -0.342 0.000 1.055 1029 V CA 1.732 63.826 62.300 -0.343 0.000 1.038 1029 V CB -1.115 30.418 31.823 -0.484 0.000 0.651 1029 V HN 0.859 nan 8.190 nan 0.000 0.450 1030 H N -0.098 118.777 119.070 -0.325 0.000 2.539 1030 H HA 0.471 5.026 4.556 -0.001 0.000 0.267 1030 H C 0.975 175.504 175.328 -1.332 0.000 0.982 1030 H CA 0.793 56.444 56.048 -0.660 0.000 1.146 1030 H CB 0.205 29.620 29.762 -0.577 0.000 1.382 1030 H HN 0.534 nan 8.280 nan 0.000 0.577 1031 G N 0.207 108.499 108.800 -0.846 0.000 2.347 1031 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.321 1031 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.321 1031 G C -1.282 173.616 174.900 -0.003 0.000 1.412 1031 G CA -1.188 43.446 45.100 -0.776 0.000 0.990 1031 G HN 0.050 nan 8.290 nan 0.000 0.637 1032 K N -0.445 120.111 120.400 0.259 0.000 2.326 1032 K HA 0.518 4.838 4.320 -0.001 0.000 0.275 1032 K C 0.304 177.226 176.600 0.538 0.000 1.018 1032 K CA -0.337 56.150 56.287 0.334 0.000 0.962 1032 K CB 1.558 34.196 32.500 0.230 0.000 0.953 1032 K HN 0.910 nan 8.250 nan 0.000 0.475 1033 V N 1.071 121.217 119.914 0.388 0.000 2.588 1033 V HA 0.419 4.539 4.120 -0.001 0.000 0.304 1033 V C -0.730 175.589 176.094 0.376 0.000 1.042 1033 V CA -1.153 61.379 62.300 0.386 0.000 0.877 1033 V CB 1.586 33.678 31.823 0.450 0.000 0.996 1033 V HN 0.567 nan 8.190 nan 0.000 0.425 1034 L N 4.586 125.984 121.223 0.291 0.000 2.282 1034 L HA 0.917 5.257 4.340 -0.001 0.000 0.288 1034 L C 0.327 177.260 176.870 0.106 0.000 1.033 1034 L CA 0.687 55.647 54.840 0.201 0.000 0.807 1034 L CB 1.027 43.136 42.059 0.083 0.000 1.209 1034 L HN 0.975 nan 8.230 nan 0.000 0.423 1035 G N 4.919 113.625 108.800 -0.157 0.000 3.135 1035 G HA2 0.624 4.584 3.960 -0.001 0.000 0.159 1035 G HA3 0.624 4.584 3.960 -0.001 0.000 0.159 1035 G C -1.215 173.342 174.900 -0.571 0.000 1.244 1035 G CA -0.460 44.233 45.100 -0.679 0.000 0.965 1035 G HN 0.751 nan 8.290 nan 0.000 0.599 1036 K N -1.369 118.629 120.400 -0.671 0.000 2.551 1036 K HA 0.590 4.910 4.320 -0.001 0.000 0.269 1036 K C -1.788 174.575 176.600 -0.394 0.000 0.949 1036 K CA -0.838 55.180 56.287 -0.448 0.000 0.849 1036 K CB 1.656 34.008 32.500 -0.247 0.000 1.411 1036 K HN 0.282 nan 8.250 nan 0.000 0.432 1037 F N 1.388 121.272 119.950 -0.109 0.000 2.394 1037 F HA 0.503 5.029 4.527 -0.001 0.000 0.340 1037 F C -0.299 175.485 175.800 -0.026 0.000 1.105 1037 F CA -0.801 57.168 58.000 -0.053 0.000 1.124 1037 F CB 1.958 40.947 39.000 -0.018 0.000 1.145 1037 F HN 0.090 nan 8.300 nan 0.000 0.505 1038 V N 2.637 122.693 119.914 0.237 0.000 2.668 1038 V HA 0.254 4.374 4.120 -0.001 0.000 0.304 1038 V C -0.583 175.592 176.094 0.134 0.000 1.071 1038 V CA -0.809 61.579 62.300 0.147 0.000 0.894 1038 V CB 1.912 33.809 31.823 0.122 0.000 1.008 1038 V HN 0.752 nan 8.190 nan 0.000 0.425 1039 S N 4.335 120.097 115.700 0.104 0.000 2.585 1039 S HA 0.732 5.201 4.470 -0.001 0.000 0.277 1039 S C -0.581 174.084 174.600 0.109 0.000 1.241 1039 S CA -0.387 57.869 58.200 0.093 0.000 1.041 1039 S CB 1.496 64.739 63.200 0.070 0.000 0.987 1039 S HN 0.561 nan 8.310 nan 0.000 0.512 1040 L N 2.413 123.715 121.223 0.130 0.000 2.333 1040 L HA 0.500 4.840 4.340 -0.001 0.000 0.280 1040 L C -0.213 176.814 176.870 0.263 0.000 1.004 1040 L CA -0.625 54.314 54.840 0.166 0.000 0.820 1040 L CB 1.400 43.499 42.059 0.067 0.000 1.247 1040 L HN 0.646 nan 8.230 nan 0.000 0.416 1041 E N 3.666 123.998 120.200 0.220 0.000 2.868 1041 E HA 0.315 4.664 4.350 -0.001 0.000 0.246 1041 E C 1.048 177.755 176.600 0.178 0.000 0.962 1041 E CA 1.844 58.351 56.400 0.178 0.000 0.955 1041 E CB -0.058 29.747 29.700 0.175 0.000 0.903 1041 E HN 0.912 nan 8.360 nan 0.000 0.524 1042 G N 3.375 112.186 108.800 0.018 0.000 2.176 1042 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.232 1042 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.232 1042 G C -0.318 174.167 174.900 -0.692 0.000 0.986 1042 G CA -0.150 44.771 45.100 -0.297 0.000 0.643 1042 G HN 0.388 nan 8.290 nan 0.000 0.522 1043 F N -0.142 119.761 119.950 -0.079 0.000 2.562 1043 F HA 0.727 5.254 4.527 -0.001 0.000 0.319 1043 F C 1.107 176.874 175.800 -0.055 0.000 1.154 1043 F CA -0.230 57.720 58.000 -0.083 0.000 0.931 1043 F CB 1.481 40.418 39.000 -0.106 0.000 1.198 1043 F HN 0.110 nan 8.300 nan 0.000 0.444 1044 A N 1.789 124.645 122.820 0.061 0.000 1.835 1044 A HA -0.152 4.167 4.320 -0.001 0.000 0.215 1044 A C 1.201 178.797 177.584 0.019 0.000 1.199 1044 A CA 1.067 53.116 52.037 0.020 0.000 0.615 1044 A CB -0.620 18.374 19.000 -0.009 0.000 0.838 1044 A HN 0.693 nan 8.150 nan 0.000 0.444 1045 Q N 1.746 121.566 119.800 0.033 0.000 2.244 1045 Q HA 0.186 4.526 4.340 -0.001 0.000 0.276 1045 Q C -2.279 173.725 176.000 0.007 0.000 1.122 1045 Q CA -1.792 54.009 55.803 -0.003 0.000 0.920 1045 Q CB 0.195 28.951 28.738 0.029 0.000 1.186 1045 Q HN 0.418 nan 8.270 nan 0.000 0.393 1046 P HA 0.028 nan 4.420 nan 0.000 0.274 1046 P C -0.883 176.476 177.300 0.098 0.000 1.237 1046 P CA -0.315 62.775 63.100 -0.017 0.000 0.793 1046 P CB 0.859 32.475 31.700 -0.140 0.000 0.977 1047 V N 1.522 121.541 119.914 0.175 0.000 2.465 1047 V HA 0.367 4.487 4.120 -0.001 0.000 0.279 1047 V C 0.805 177.100 176.094 0.335 0.000 1.045 1047 V CA -0.558 61.882 62.300 0.234 0.000 0.938 1047 V CB 0.776 32.708 31.823 0.181 0.000 0.986 1047 V HN 0.730 nan 8.190 nan 0.000 0.467 1048 A N 6.980 130.010 122.820 0.349 0.000 2.302 1048 A HA 0.681 5.001 4.320 -0.001 0.000 0.295 1048 A C -0.338 177.231 177.584 -0.025 0.000 1.235 1048 A CA -0.216 51.892 52.037 0.118 0.000 0.876 1048 A CB -0.206 18.941 19.000 0.244 0.000 1.133 1048 A HN 0.771 nan 8.150 nan 0.000 0.533 1049 I N 2.754 123.131 120.570 -0.322 0.000 2.362 1049 I HA 0.354 4.523 4.170 -0.001 0.000 0.289 1049 I C -1.177 174.551 176.117 -0.649 0.000 0.994 1049 I CA -0.236 60.829 61.300 -0.392 0.000 1.158 1049 I CB 1.298 39.115 38.000 -0.304 0.000 1.315 1049 I HN 0.527 nan 8.210 nan 0.000 0.451 1050 F N 6.700 126.508 119.950 -0.237 0.000 2.426 1050 F HA 0.522 5.049 4.527 -0.001 0.000 0.348 1050 F C -0.169 175.492 175.800 -0.232 0.000 1.124 1050 F CA -0.547 57.363 58.000 -0.150 0.000 1.008 1050 F CB 1.216 40.223 39.000 0.013 0.000 1.139 1050 F HN 0.133 nan 8.300 nan 0.000 0.452 1051 L N 2.701 123.852 121.223 -0.121 0.000 2.322 1051 L HA 0.642 4.981 4.340 -0.001 0.000 0.281 1051 L C 0.688 177.482 176.870 -0.125 0.000 1.014 1051 L CA -0.932 53.802 54.840 -0.176 0.000 0.815 1051 L CB 1.623 43.453 42.059 -0.383 0.000 1.247 1051 L HN 0.891 nan 8.230 nan 0.000 0.421 1052 G N 3.706 112.452 108.800 -0.089 0.000 2.289 1052 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.280 1052 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.280 1052 G C -0.219 174.716 174.900 0.058 0.000 1.089 1052 G CA -0.401 44.616 45.100 -0.138 0.000 0.939 1052 G HN 0.499 nan 8.290 nan 0.000 0.499 1053 I N 2.171 122.802 120.570 0.101 0.000 2.352 1053 I HA 0.227 4.396 4.170 -0.001 0.000 0.290 1053 I C -1.436 174.733 176.117 0.088 0.000 1.036 1053 I CA -2.185 59.160 61.300 0.075 0.000 1.336 1053 I CB 1.268 39.242 38.000 -0.043 0.000 1.407 1053 I HN 0.019 nan 8.210 nan 0.000 0.497 1054 P HA 0.018 nan 4.420 nan 0.000 0.276 1054 P C -0.161 177.027 177.300 -0.186 0.000 1.243 1054 P CA -0.025 62.924 63.100 -0.251 0.000 0.768 1054 P CB 0.501 32.060 31.700 -0.236 0.000 0.856 1055 F N 1.625 121.368 119.950 -0.345 0.000 2.678 1055 F HA 0.727 5.254 4.527 -0.001 0.000 0.305 1055 F C 0.050 175.828 175.800 -0.036 0.000 1.090 1055 F CA -0.914 56.892 58.000 -0.323 0.000 1.272 1055 F CB 0.183 38.912 39.000 -0.450 0.000 1.060 1055 F HN 0.399 nan 8.300 nan 0.000 0.576 1056 A N 0.488 123.045 122.820 -0.438 0.000 2.586 1056 A HA 0.441 4.760 4.320 -0.001 0.000 0.291 1056 A C -1.284 176.105 177.584 -0.325 0.000 1.062 1056 A CA -1.158 50.702 52.037 -0.295 0.000 0.666 1056 A CB 0.672 19.455 19.000 -0.362 0.000 1.281 1056 A HN 0.189 nan 8.150 nan 0.000 0.421 1057 K N 0.877 121.160 120.400 -0.197 0.000 2.401 1057 K HA 0.367 4.686 4.320 -0.001 0.000 0.278 1057 K C -2.373 174.095 176.600 -0.221 0.000 1.018 1057 K CA -1.339 54.842 56.287 -0.177 0.000 0.981 1057 K CB 0.230 32.663 32.500 -0.110 0.000 0.933 1057 K HN 0.328 nan 8.250 nan 0.000 0.477 1058 P HA -0.051 nan 4.420 nan 0.000 0.258 1058 P C -2.378 174.822 177.300 -0.166 0.000 1.172 1058 P CA -0.732 62.241 63.100 -0.210 0.000 0.762 1058 P CB 0.169 31.777 31.700 -0.153 0.000 0.764 1059 P HA 0.018 nan 4.420 nan 0.000 0.232 1059 P C -0.502 176.714 177.300 -0.140 0.000 1.738 1059 P CA 0.518 63.526 63.100 -0.153 0.000 0.948 1059 P CB -0.045 31.567 31.700 -0.148 0.000 1.943 1060 L N -0.493 120.658 121.223 -0.121 0.000 2.400 1060 L HA 0.582 4.922 4.340 -0.001 0.000 0.264 1060 L C 1.731 178.543 176.870 -0.097 0.000 1.061 1060 L CA -0.325 54.455 54.840 -0.100 0.000 0.799 1060 L CB 0.246 42.256 42.059 -0.082 0.000 1.240 1060 L HN 0.265 nan 8.230 nan 0.000 0.461 1061 G N 1.235 109.984 108.800 -0.084 0.000 2.651 1061 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.315 1061 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.315 1061 G C -1.328 173.519 174.900 -0.087 0.000 1.258 1061 G CA 0.355 45.410 45.100 -0.074 0.000 1.002 1061 G HN 0.640 nan 8.290 nan 0.000 0.551 1062 P HA 0.097 nan 4.420 nan 0.000 0.234 1062 P C 1.810 179.059 177.300 -0.084 0.000 1.167 1062 P CA 0.955 64.026 63.100 -0.049 0.000 0.763 1062 P CB -0.075 31.614 31.700 -0.018 0.000 0.835 1063 L N -1.007 120.147 121.223 -0.116 0.000 2.554 1063 L HA 0.115 4.455 4.340 -0.001 0.000 0.226 1063 L C 1.730 178.454 176.870 -0.243 0.000 1.137 1063 L CA -0.160 54.590 54.840 -0.151 0.000 0.863 1063 L CB -0.354 41.628 42.059 -0.128 0.000 0.985 1063 L HN -0.057 nan 8.230 nan 0.000 0.451 1064 R N 0.643 120.971 120.500 -0.287 0.000 2.537 1064 R HA -0.030 4.309 4.340 -0.001 0.000 0.280 1064 R C -0.234 175.731 176.300 -0.558 0.000 1.058 1064 R CA -0.113 55.679 56.100 -0.512 0.000 1.057 1064 R CB 0.236 30.142 30.300 -0.658 0.000 0.973 1064 R HN 0.051 nan 8.270 nan 0.000 0.438 1065 F N 0.084 119.692 119.950 -0.570 0.000 3.058 1065 F HA -0.262 4.265 4.527 -0.001 0.000 0.295 1065 F C 0.056 174.880 175.800 -1.626 0.000 0.875 1065 F CA 1.427 58.791 58.000 -1.061 0.000 1.150 1065 F CB -2.565 36.260 39.000 -0.292 0.000 1.175 1065 F HN 0.682 nan 8.300 nan 0.000 0.599 1066 T N -3.688 110.073 114.554 -1.321 0.000 2.864 1066 T HA 0.775 5.124 4.350 -0.001 0.000 0.299 1066 T C -3.039 171.382 174.700 -0.466 0.000 1.166 1066 T CA -2.370 59.185 62.100 -0.909 0.000 1.007 1066 T CB 3.322 71.989 68.868 -0.336 0.000 1.219 1066 T HN -0.252 nan 8.240 nan 0.000 0.506 1067 P HA 0.234 nan 4.420 nan 0.000 0.268 1067 P C -2.340 175.005 177.300 0.076 0.000 1.208 1067 P CA -0.794 62.426 63.100 0.199 0.000 0.777 1067 P CB -0.265 31.563 31.700 0.214 0.000 0.875 1068 P HA 0.106 nan 4.420 nan 0.000 0.275 1068 P C -0.774 176.561 177.300 0.057 0.000 1.228 1068 P CA 0.079 63.215 63.100 0.060 0.000 0.786 1068 P CB 0.871 32.641 31.700 0.117 0.000 0.927 1069 Q N 2.218 122.024 119.800 0.010 0.000 2.297 1069 Q HA 0.441 4.781 4.340 -0.001 0.000 0.268 1069 Q C -2.280 173.737 176.000 0.027 0.000 1.045 1069 Q CA -2.211 53.605 55.803 0.021 0.000 0.861 1069 Q CB 1.107 29.839 28.738 -0.010 0.000 1.344 1069 Q HN 0.346 nan 8.270 nan 0.000 0.452 1070 P HA -0.061 nan 4.420 nan 0.000 0.265 1070 P C -1.341 175.946 177.300 -0.022 0.000 1.187 1070 P CA 0.215 63.370 63.100 0.092 0.000 0.766 1070 P CB 0.456 32.220 31.700 0.107 0.000 0.820 1071 A N 2.941 125.734 122.820 -0.046 0.000 2.440 1071 A HA 0.168 4.488 4.320 -0.001 0.000 0.251 1071 A C 0.420 177.787 177.584 -0.361 0.000 1.089 1071 A CA -0.298 51.651 52.037 -0.147 0.000 0.779 1071 A CB -0.119 18.890 19.000 0.015 0.000 1.022 1071 A HN 0.427 nan 8.150 nan 0.000 0.492 1072 E N 2.574 122.675 120.200 -0.166 0.000 2.392 1072 E HA 0.222 4.572 4.350 -0.001 0.000 0.264 1072 E C -2.079 174.450 176.600 -0.117 0.000 1.024 1072 E CA -1.563 54.752 56.400 -0.141 0.000 0.903 1072 E CB 0.107 29.786 29.700 -0.035 0.000 0.963 1072 E HN 0.505 nan 8.360 nan 0.000 0.432 1073 P HA 0.181 nan 4.420 nan 0.000 0.274 1073 P C -0.816 176.476 177.300 -0.013 0.000 1.231 1073 P CA -0.382 62.601 63.100 -0.196 0.000 0.790 1073 P CB 0.393 31.995 31.700 -0.164 0.000 0.951 1074 W N 0.538 121.847 121.300 0.015 0.000 2.799 1074 W HA 0.680 5.340 4.660 -0.001 0.000 0.349 1074 W C -0.890 175.583 176.519 -0.076 0.000 1.100 1074 W CA -0.849 56.483 57.345 -0.021 0.000 1.174 1074 W CB 0.106 29.582 29.460 0.026 0.000 1.427 1074 W HN 0.157 nan 8.180 nan 0.000 0.547 1075 S N 1.159 116.893 115.700 0.055 0.000 2.693 1075 S HA 0.669 5.139 4.470 -0.001 0.000 0.276 1075 S C -0.295 174.249 174.600 -0.092 0.000 1.192 1075 S CA -0.413 57.600 58.200 -0.312 0.000 0.994 1075 S CB 0.315 62.994 63.200 -0.869 0.000 1.012 1075 S HN 0.606 nan 8.310 nan 0.000 0.550 1076 F N -1.589 118.466 119.950 0.174 0.000 2.044 1076 F HA -0.259 4.268 4.527 -0.001 0.000 0.285 1076 F C 0.005 175.953 175.800 0.246 0.000 0.130 1076 F CA -0.171 57.928 58.000 0.165 0.000 0.824 1076 F CB -0.986 38.088 39.000 0.124 0.000 3.705 1076 F HN 0.298 nan 8.300 nan 0.000 0.324 1077 V N 0.885 121.050 119.914 0.418 0.000 2.394 1077 V HA 0.273 4.393 4.120 -0.001 0.000 0.282 1077 V C 0.086 176.309 176.094 0.215 0.000 1.031 1077 V CA -0.759 61.728 62.300 0.311 0.000 0.881 1077 V CB 1.411 33.358 31.823 0.206 0.000 0.982 1077 V HN 0.465 nan 8.190 nan 0.000 0.451 1078 K N 3.918 124.419 120.400 0.168 0.000 2.258 1078 K HA 0.226 4.546 4.320 -0.001 0.000 0.284 1078 K C 0.024 176.615 176.600 -0.015 0.000 1.051 1078 K CA -0.493 55.732 56.287 -0.103 0.000 0.923 1078 K CB 0.354 32.510 32.500 -0.574 0.000 1.046 1078 K HN 0.596 nan 8.250 nan 0.000 0.474 1079 N N 3.001 121.673 118.700 -0.048 0.000 2.421 1079 N HA 0.076 4.816 4.740 -0.001 0.000 0.260 1079 N C -0.869 174.603 175.510 -0.064 0.000 1.173 1079 N CA 0.036 53.063 53.050 -0.039 0.000 0.960 1079 N CB 0.911 39.364 38.487 -0.057 0.000 1.273 1079 N HN 0.587 nan 8.380 nan 0.000 0.497 1080 A N 2.354 125.168 122.820 -0.010 0.000 3.202 1080 A HA 0.181 4.500 4.320 -0.001 0.000 0.258 1080 A C 0.937 178.450 177.584 -0.118 0.000 1.572 1080 A CA -0.412 51.612 52.037 -0.023 0.000 1.241 1080 A CB -0.668 18.423 19.000 0.152 0.000 1.127 1080 A HN 0.549 nan 8.150 nan 0.000 0.648 1081 T N -3.359 111.096 114.554 -0.165 0.000 3.091 1081 T HA 0.330 4.679 4.350 -0.001 0.000 0.277 1081 T C 0.360 174.894 174.700 -0.277 0.000 0.996 1081 T CA -0.006 61.958 62.100 -0.226 0.000 0.897 1081 T CB 0.100 68.861 68.868 -0.178 0.000 1.109 1081 T HN 0.202 nan 8.240 nan 0.000 0.534 1082 S N 0.726 116.263 115.700 -0.272 0.000 2.536 1082 S HA 0.635 5.104 4.470 -0.001 0.000 0.298 1082 S C -1.238 173.177 174.600 -0.309 0.000 1.083 1082 S CA -0.747 57.292 58.200 -0.269 0.000 0.995 1082 S CB 0.886 63.984 63.200 -0.169 0.000 1.058 1082 S HN 0.304 nan 8.310 nan 0.000 0.488 1083 Y N 3.458 123.686 120.300 -0.120 0.000 2.511 1083 Y HA 0.233 4.782 4.550 -0.001 0.000 0.332 1083 Y C -1.432 174.352 175.900 -0.194 0.000 1.177 1083 Y CA -1.261 56.764 58.100 -0.125 0.000 1.422 1083 Y CB 0.013 38.422 38.460 -0.084 0.000 1.271 1083 Y HN 0.408 nan 8.280 nan 0.000 0.550 1084 P HA 0.221 nan 4.420 nan 0.000 0.276 1084 P C -2.715 174.492 177.300 -0.155 0.000 1.252 1084 P CA -1.659 61.255 63.100 -0.310 0.000 0.802 1084 P CB 0.708 32.122 31.700 -0.476 0.000 1.035 1085 P HA 0.227 nan 4.420 nan 0.000 0.274 1085 P C -0.204 177.053 177.300 -0.072 0.000 1.246 1085 P CA -0.093 62.947 63.100 -0.100 0.000 0.795 1085 P CB 0.221 31.866 31.700 -0.090 0.000 1.006 1086 M N -0.203 119.341 119.600 -0.092 0.000 2.363 1086 M HA 0.473 4.953 4.480 -0.001 0.000 0.343 1086 M C -0.797 175.422 176.300 -0.136 0.000 1.165 1086 M CA -0.664 54.573 55.300 -0.105 0.000 1.046 1086 M CB 0.702 33.227 32.600 -0.124 0.000 1.648 1086 M HN 0.103 nan 8.290 nan 0.000 0.452 1087 c N 2.409 120.922 118.600 -0.146 0.000 2.597 1087 c HA 0.068 4.638 4.570 -0.001 0.000 0.412 1087 c C 0.955 174.863 174.090 -0.303 0.000 1.348 1087 c CA -0.018 56.175 56.329 -0.226 0.000 1.769 1087 c CB -0.734 41.671 42.510 -0.176 0.000 2.641 1087 c HN 0.896 nan 8.230 nan 0.000 0.612 1088 T N 4.746 118.971 114.554 -0.549 0.000 2.867 1088 T HA 0.224 4.573 4.350 -0.001 0.000 0.290 1088 T C 0.003 174.499 174.700 -0.342 0.000 1.025 1088 T CA 0.558 62.281 62.100 -0.628 0.000 1.146 1088 T CB -0.197 67.824 68.868 -1.412 0.000 1.024 1088 T HN 0.903 nan 8.240 nan 0.000 0.519 1089 Q N 0.584 120.313 119.800 -0.119 0.000 2.874 1089 Q HA 0.322 4.661 4.340 -0.001 0.000 0.303 1089 Q C -1.683 174.349 176.000 0.053 0.000 0.876 1089 Q CA -1.196 54.630 55.803 0.039 0.000 0.765 1089 Q CB 0.743 29.492 28.738 0.018 0.000 1.478 1089 Q HN 0.357 nan 8.270 nan 0.000 0.434 1090 D N 2.288 122.741 120.400 0.088 0.000 2.368 1090 D HA 0.048 4.687 4.640 -0.001 0.000 0.268 1090 D C -1.229 175.086 176.300 0.026 0.000 1.298 1090 D CA -1.435 52.608 54.000 0.070 0.000 0.938 1090 D CB 1.040 41.889 40.800 0.082 0.000 1.101 1090 D HN 0.304 nan 8.370 nan 0.000 0.509 1091 P HA -0.178 nan 4.420 nan 0.000 0.218 1091 P C 0.926 178.218 177.300 -0.014 0.000 1.148 1091 P CA 1.173 64.266 63.100 -0.012 0.000 0.822 1091 P CB 0.514 32.206 31.700 -0.014 0.000 0.784 1092 K N 0.003 120.402 120.400 -0.002 0.000 2.007 1092 K HA 0.022 4.341 4.320 -0.001 0.000 0.206 1092 K C 2.494 179.086 176.600 -0.012 0.000 1.047 1092 K CA 1.252 57.536 56.287 -0.006 0.000 0.937 1092 K CB -0.674 31.828 32.500 0.003 0.000 0.718 1092 K HN -0.016 nan 8.250 nan 0.000 0.438 1093 A N 1.514 124.332 122.820 -0.003 0.000 1.883 1093 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 1093 A C 2.432 179.998 177.584 -0.030 0.000 1.186 1093 A CA 2.129 54.159 52.037 -0.012 0.000 0.624 1093 A CB -1.483 17.526 19.000 0.015 0.000 0.822 1093 A HN 0.442 nan 8.150 nan 0.000 0.444 1094 G N -0.852 107.936 108.800 -0.021 0.000 2.491 1094 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.218 1094 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.218 1094 G C 1.668 176.532 174.900 -0.060 0.000 1.180 1094 G CA 1.301 46.378 45.100 -0.038 0.000 0.774 1094 G HN 0.665 nan 8.290 nan 0.000 0.562 1095 Q N -0.539 119.228 119.800 -0.054 0.000 2.084 1095 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 1095 Q C 2.461 178.425 176.000 -0.061 0.000 0.978 1095 Q CA 1.281 57.048 55.803 -0.060 0.000 0.844 1095 Q CB -0.270 28.440 28.738 -0.047 0.000 0.898 1095 Q HN 0.368 nan 8.270 nan 0.000 0.426 1096 L N 0.720 121.911 121.223 -0.053 0.000 1.990 1096 L HA -0.201 4.139 4.340 -0.001 0.000 0.213 1096 L C 2.180 178.994 176.870 -0.093 0.000 1.072 1096 L CA 1.816 56.624 54.840 -0.053 0.000 0.755 1096 L CB -0.997 41.032 42.059 -0.050 0.000 0.889 1096 L HN 0.464 nan 8.230 nan 0.000 0.432 1097 L N -1.132 120.006 121.223 -0.141 0.000 2.046 1097 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 1097 L C 2.678 179.417 176.870 -0.218 0.000 1.077 1097 L CA 2.113 56.793 54.840 -0.267 0.000 0.747 1097 L CB -1.044 40.855 42.059 -0.267 0.000 0.896 1097 L HN 0.459 nan 8.230 nan 0.000 0.432 1098 S N -0.679 114.943 115.700 -0.130 0.000 2.370 1098 S HA -0.236 4.234 4.470 -0.001 0.000 0.226 1098 S C 1.856 176.396 174.600 -0.099 0.000 1.033 1098 S CA 1.725 59.854 58.200 -0.119 0.000 1.011 1098 S CB -0.309 62.818 63.200 -0.122 0.000 0.852 1098 S HN 0.681 nan 8.310 nan 0.000 0.457 1099 E N 0.394 120.556 120.200 -0.063 0.000 2.106 1099 E HA -0.064 4.285 4.350 -0.001 0.000 0.192 1099 E C 2.109 178.745 176.600 0.060 0.000 0.984 1099 E CA 1.135 57.527 56.400 -0.015 0.000 0.806 1099 E CB -0.237 29.461 29.700 -0.003 0.000 0.750 1099 E HN 0.470 nan 8.360 nan 0.000 0.458 1100 L N -0.249 121.012 121.223 0.064 0.000 2.217 1100 L HA -0.097 4.243 4.340 -0.001 0.000 0.211 1100 L C 1.754 178.892 176.870 0.448 0.000 1.107 1100 L CA 0.578 55.540 54.840 0.203 0.000 0.783 1100 L CB 0.039 42.147 42.059 0.081 0.000 0.919 1100 L HN 0.117 nan 8.230 nan 0.000 0.442 1101 F N -1.291 118.642 119.950 -0.028 0.000 2.694 1101 F HA 0.146 4.672 4.527 -0.001 0.000 0.292 1101 F C 1.639 177.121 175.800 -0.530 0.000 1.121 1101 F CA -0.460 57.387 58.000 -0.255 0.000 1.352 1101 F CB -0.617 38.237 39.000 -0.244 0.000 1.107 1101 F HN -0.193 nan 8.300 nan 0.000 0.597 1102 T N 2.252 116.673 114.554 -0.222 0.000 2.946 1102 T HA -0.085 4.264 4.350 -0.001 0.000 0.312 1102 T C 1.280 175.810 174.700 -0.283 0.000 1.066 1102 T CA 0.198 62.070 62.100 -0.381 0.000 1.138 1102 T CB 0.258 68.984 68.868 -0.238 0.000 1.014 1102 T HN 0.390 nan 8.240 nan 0.000 0.544 1103 N N 3.991 122.460 118.700 -0.385 0.000 2.236 1103 N HA 0.017 4.756 4.740 -0.001 0.000 0.196 1103 N C 0.350 175.754 175.510 -0.177 0.000 1.114 1103 N CA -0.367 52.526 53.050 -0.262 0.000 0.859 1103 N CB 0.066 38.382 38.487 -0.285 0.000 0.982 1103 N HN 0.740 nan 8.380 nan 0.000 0.493 1104 R N 0.642 121.050 120.500 -0.153 0.000 2.598 1104 R HA 0.345 4.684 4.340 -0.001 0.000 0.279 1104 R C 0.988 177.255 176.300 -0.055 0.000 0.984 1104 R CA -0.817 55.232 56.100 -0.086 0.000 0.999 1104 R CB 1.139 31.394 30.300 -0.076 0.000 1.114 1104 R HN -0.065 nan 8.270 nan 0.000 0.493 1105 K N 0.598 120.988 120.400 -0.017 0.000 2.211 1105 K HA -0.132 4.188 4.320 -0.001 0.000 0.203 1105 K C -0.439 176.163 176.600 0.003 0.000 1.050 1105 K CA 1.284 57.577 56.287 0.010 0.000 0.945 1105 K CB -0.030 32.488 32.500 0.031 0.000 0.732 1105 K HN 0.795 nan 8.250 nan 0.000 0.451 1106 E N 1.755 121.947 120.200 -0.013 0.000 2.186 1106 E HA 0.161 4.511 4.350 -0.001 0.000 0.255 1106 E C -1.190 175.377 176.600 -0.056 0.000 0.881 1106 E CA -0.855 55.532 56.400 -0.021 0.000 0.752 1106 E CB 0.825 30.519 29.700 -0.009 0.000 1.176 1106 E HN 0.107 nan 8.360 nan 0.000 0.421 1107 N N 5.101 123.765 118.700 -0.060 0.000 2.483 1107 N HA -0.006 4.734 4.740 -0.001 0.000 0.264 1107 N C -0.284 175.155 175.510 -0.118 0.000 1.197 1107 N CA -0.160 52.831 53.050 -0.098 0.000 0.927 1107 N CB 0.585 39.025 38.487 -0.078 0.000 1.065 1107 N HN 0.529 nan 8.380 nan 0.000 0.461 1108 I N 5.674 126.130 120.570 -0.189 0.000 2.396 1108 I HA 0.176 4.346 4.170 -0.001 0.000 0.289 1108 I C -1.780 174.232 176.117 -0.175 0.000 1.056 1108 I CA -1.895 59.271 61.300 -0.224 0.000 1.365 1108 I CB 0.527 38.247 38.000 -0.468 0.000 1.407 1108 I HN 0.373 nan 8.210 nan 0.000 0.509 1109 P HA 0.348 nan 4.420 nan 0.000 0.281 1109 P C -0.834 176.410 177.300 -0.094 0.000 1.252 1109 P CA -0.282 62.764 63.100 -0.090 0.000 0.778 1109 P CB 1.350 33.015 31.700 -0.059 0.000 0.895 1110 L N 2.418 123.584 121.223 -0.095 0.000 2.322 1110 L HA 0.520 4.859 4.340 -0.001 0.000 0.269 1110 L C 0.648 177.474 176.870 -0.074 0.000 1.012 1110 L CA -1.194 53.593 54.840 -0.089 0.000 0.815 1110 L CB 1.460 43.454 42.059 -0.107 0.000 1.295 1110 L HN 0.201 nan 8.230 nan 0.000 0.438 1111 K N 1.260 121.617 120.400 -0.072 0.000 2.110 1111 K HA 0.574 4.894 4.320 -0.001 0.000 0.263 1111 K C -0.894 175.654 176.600 -0.087 0.000 0.975 1111 K CA -0.251 55.993 56.287 -0.071 0.000 0.895 1111 K CB 1.123 33.584 32.500 -0.066 0.000 1.060 1111 K HN 0.363 nan 8.250 nan 0.000 0.448 1112 L N 1.511 122.679 121.223 -0.092 0.000 2.334 1112 L HA 0.527 4.866 4.340 -0.001 0.000 0.277 1112 L C -0.018 176.767 176.870 -0.141 0.000 1.075 1112 L CA -0.392 54.373 54.840 -0.125 0.000 0.804 1112 L CB 1.568 43.553 42.059 -0.123 0.000 1.174 1112 L HN 0.611 nan 8.230 nan 0.000 0.438 1113 S N 0.530 116.116 115.700 -0.190 0.000 2.580 1113 S HA 0.153 4.623 4.470 -0.001 0.000 0.281 1113 S C 0.058 174.496 174.600 -0.271 0.000 1.129 1113 S CA -0.657 57.427 58.200 -0.192 0.000 0.862 1113 S CB 1.317 64.450 63.200 -0.113 0.000 1.090 1113 S HN 0.751 nan 8.310 nan 0.000 0.451 1114 E N 1.117 121.140 120.200 -0.295 0.000 2.274 1114 E HA -0.047 4.303 4.350 -0.001 0.000 0.194 1114 E C -0.228 176.247 176.600 -0.209 0.000 0.996 1114 E CA 0.519 56.709 56.400 -0.351 0.000 0.840 1114 E CB 0.033 29.563 29.700 -0.283 0.000 0.772 1114 E HN 0.557 nan 8.360 nan 0.000 0.491 1115 D N 0.645 120.966 120.400 -0.132 0.000 2.517 1115 D HA 0.009 4.649 4.640 -0.001 0.000 0.220 1115 D C 0.117 176.452 176.300 0.057 0.000 1.158 1115 D CA -0.403 53.556 54.000 -0.069 0.000 0.992 1115 D CB -0.066 40.725 40.800 -0.016 0.000 1.058 1115 D HN 0.154 nan 8.370 nan 0.000 0.516 1116 c N 2.065 120.649 118.600 -0.026 0.000 3.657 1116 c HA 0.368 4.938 4.570 -0.001 0.000 0.291 1116 c C 0.859 174.963 174.090 0.024 0.000 1.572 1116 c CA -0.699 55.694 56.329 0.107 0.000 1.818 1116 c CB -1.304 41.195 42.510 -0.019 0.000 2.903 1116 c HN 0.451 nan 8.230 nan 0.000 0.632 1117 L N 2.407 123.407 121.223 -0.372 0.000 2.376 1117 L HA 0.308 4.648 4.340 -0.001 0.000 0.250 1117 L C -0.613 175.693 176.870 -0.941 0.000 1.335 1117 L CA 0.639 55.069 54.840 -0.684 0.000 1.214 1117 L CB -0.901 40.559 42.059 -0.998 0.000 1.395 1117 L HN 0.426 nan 8.230 nan 0.000 0.424 1118 Y N 1.461 121.711 120.300 -0.084 0.000 2.686 1118 Y HA 0.731 5.281 4.550 -0.001 0.000 0.330 1118 Y C -0.055 176.006 175.900 0.268 0.000 1.082 1118 Y CA -1.249 56.878 58.100 0.046 0.000 1.158 1118 Y CB 1.680 40.121 38.460 -0.031 0.000 1.333 1118 Y HN 0.117 nan 8.280 nan 0.000 0.519 1119 L N -0.475 120.926 121.223 0.297 0.000 2.518 1119 L HA 0.693 5.032 4.340 -0.001 0.000 0.257 1119 L C -1.698 175.216 176.870 0.073 0.000 0.980 1119 L CA -1.241 53.686 54.840 0.145 0.000 0.837 1119 L CB 1.716 43.754 42.059 -0.034 0.000 1.410 1119 L HN 0.402 nan 8.230 nan 0.000 0.410 1120 N N 1.951 120.723 118.700 0.120 0.000 2.362 1120 N HA 0.750 5.489 4.740 -0.001 0.000 0.298 1120 N C -1.093 174.462 175.510 0.075 0.000 1.048 1120 N CA -0.238 52.858 53.050 0.076 0.000 0.858 1120 N CB 2.508 41.102 38.487 0.178 0.000 1.218 1120 N HN 0.708 nan 8.380 nan 0.000 0.488 1121 I N 1.514 122.037 120.570 -0.078 0.000 2.530 1121 I HA 0.374 4.544 4.170 -0.001 0.000 0.297 1121 I C -1.082 174.948 176.117 -0.145 0.000 1.011 1121 I CA -0.820 60.481 61.300 0.003 0.000 1.107 1121 I CB 1.298 39.227 38.000 -0.120 0.000 1.285 1121 I HN 0.330 nan 8.210 nan 0.000 0.436 1122 Y N 2.560 122.987 120.300 0.212 0.000 2.349 1122 Y HA 0.342 4.891 4.550 -0.000 0.000 0.324 1122 Y C 0.119 176.149 175.900 0.216 0.000 1.005 1122 Y CA -0.751 57.474 58.100 0.208 0.000 1.240 1122 Y CB 2.020 40.580 38.460 0.167 0.000 1.117 1122 Y HN 0.363 nan 8.280 nan 0.000 0.463 1123 T N 5.201 119.974 114.554 0.365 0.000 2.791 1123 T HA 0.330 4.679 4.350 -0.001 0.000 0.288 1123 T C -2.037 172.824 174.700 0.268 0.000 0.999 1123 T CA -2.294 59.999 62.100 0.321 0.000 0.952 1123 T CB 1.177 70.277 68.868 0.387 0.000 0.938 1123 T HN 0.360 nan 8.240 nan 0.000 0.444 1124 P HA 0.233 nan 4.420 nan 0.000 0.249 1124 P C 0.339 177.721 177.300 0.136 0.000 1.229 1124 P CA -0.106 63.074 63.100 0.133 0.000 0.788 1124 P CB 0.095 31.831 31.700 0.060 0.000 1.072 1125 A N 1.085 124.002 122.820 0.162 0.000 2.386 1125 A HA 0.175 4.494 4.320 -0.001 0.000 0.248 1125 A C -0.032 177.647 177.584 0.159 0.000 1.082 1125 A CA -0.172 51.949 52.037 0.141 0.000 0.789 1125 A CB -0.316 18.767 19.000 0.137 0.000 1.025 1125 A HN -0.007 nan 8.150 nan 0.000 0.490 1126 D N 1.886 122.356 120.400 0.117 0.000 2.422 1126 D HA 0.264 4.904 4.640 -0.001 0.000 0.227 1126 D C 0.697 177.068 176.300 0.119 0.000 1.190 1126 D CA -0.133 53.936 54.000 0.114 0.000 0.905 1126 D CB -0.217 40.623 40.800 0.066 0.000 1.034 1126 D HN 0.391 nan 8.370 nan 0.000 0.507 1127 L N 2.717 124.039 121.223 0.165 0.000 2.651 1127 L HA -0.091 4.248 4.340 -0.001 0.000 0.236 1127 L C 2.210 179.129 176.870 0.082 0.000 1.173 1127 L CA 1.221 56.133 54.840 0.121 0.000 0.843 1127 L CB -0.780 41.369 42.059 0.150 0.000 0.964 1127 L HN 0.537 nan 8.230 nan 0.000 0.454 1128 T N -4.094 110.512 114.554 0.087 0.000 3.081 1128 T HA 0.077 4.426 4.350 -0.001 0.000 0.255 1128 T C 0.744 175.467 174.700 0.038 0.000 1.113 1128 T CA 0.112 62.248 62.100 0.061 0.000 1.082 1128 T CB 0.144 69.049 68.868 0.062 0.000 0.939 1128 T HN 0.228 nan 8.240 nan 0.000 0.506 1129 K N 0.320 120.743 120.400 0.039 0.000 2.444 1129 K HA 0.561 4.880 4.320 -0.001 0.000 0.252 1129 K C -1.046 175.568 176.600 0.024 0.000 0.993 1129 K CA -1.016 55.287 56.287 0.026 0.000 0.847 1129 K CB 2.054 34.570 32.500 0.027 0.000 1.340 1129 K HN -0.052 nan 8.250 nan 0.000 0.446 1130 K N 1.857 122.266 120.400 0.015 0.000 2.227 1130 K HA 0.292 4.612 4.320 -0.001 0.000 0.280 1130 K C -0.636 175.976 176.600 0.020 0.000 1.041 1130 K CA -0.487 55.807 56.287 0.011 0.000 0.905 1130 K CB 0.660 33.159 32.500 -0.000 0.000 1.068 1130 K HN 0.437 nan 8.250 nan 0.000 0.470 1131 N N 2.160 120.878 118.700 0.029 0.000 2.265 1131 N HA 0.368 5.107 4.740 -0.001 0.000 0.300 1131 N C -0.773 174.759 175.510 0.037 0.000 1.148 1131 N CA -0.764 52.308 53.050 0.037 0.000 0.772 1131 N CB 2.002 40.522 38.487 0.056 0.000 1.434 1131 N HN 0.344 nan 8.380 nan 0.000 0.481 1132 R N 1.293 121.813 120.500 0.033 0.000 2.748 1132 R HA 0.402 4.741 4.340 -0.001 0.000 0.283 1132 R C -0.408 175.913 176.300 0.035 0.000 1.507 1132 R CA -0.352 55.766 56.100 0.030 0.000 1.666 1132 R CB 0.552 30.859 30.300 0.010 0.000 1.237 1132 R HN 0.346 nan 8.270 nan 0.000 0.633 1133 L N 2.670 123.926 121.223 0.055 0.000 2.418 1133 L HA 0.392 4.731 4.340 -0.001 0.000 0.265 1133 L C -1.721 175.182 176.870 0.055 0.000 1.143 1133 L CA -2.028 52.845 54.840 0.055 0.000 0.809 1133 L CB 0.465 42.569 42.059 0.075 0.000 1.124 1133 L HN 0.079 nan 8.230 nan 0.000 0.456 1134 P HA 0.067 nan 4.420 nan 0.000 0.271 1134 P C -0.816 176.522 177.300 0.064 0.000 1.216 1134 P CA -0.134 62.989 63.100 0.038 0.000 0.776 1134 P CB 1.145 32.851 31.700 0.010 0.000 0.881 1135 V N 4.922 124.888 119.914 0.086 0.000 2.472 1135 V HA 0.386 4.505 4.120 -0.001 0.000 0.290 1135 V C 0.642 176.807 176.094 0.118 0.000 1.037 1135 V CA -0.366 62.006 62.300 0.120 0.000 0.908 1135 V CB 1.131 33.040 31.823 0.144 0.000 0.985 1135 V HN 0.501 nan 8.190 nan 0.000 0.454 1136 M N 4.699 124.389 119.600 0.151 0.000 2.134 1136 M HA 0.490 4.970 4.480 -0.001 0.000 0.310 1136 M C -1.213 175.360 176.300 0.455 0.000 0.966 1136 M CA -0.583 54.825 55.300 0.179 0.000 0.922 1136 M CB 2.037 34.598 32.600 -0.065 0.000 1.537 1136 M HN 0.340 nan 8.290 nan 0.000 0.424 1137 V N 3.507 123.714 119.914 0.489 0.000 2.350 1137 V HA 0.299 4.419 4.120 -0.001 0.000 0.276 1137 V C -0.673 175.700 176.094 0.465 0.000 1.028 1137 V CA -0.532 62.016 62.300 0.415 0.000 0.860 1137 V CB 1.185 33.130 31.823 0.203 0.000 0.990 1137 V HN 0.841 nan 8.190 nan 0.000 0.453 1138 W N 7.218 128.589 121.300 0.119 0.000 2.338 1138 W HA 0.597 5.256 4.660 -0.001 0.000 0.307 1138 W C -1.213 175.186 176.519 -0.200 0.000 1.167 1138 W CA -0.842 56.302 57.345 -0.335 0.000 1.208 1138 W CB 1.262 30.522 29.460 -0.333 0.000 1.228 1138 W HN 0.436 nan 8.180 nan 0.000 0.499 1139 I N 8.004 127.935 120.570 -1.065 0.000 2.359 1139 I HA 0.047 4.217 4.170 -0.001 0.000 0.284 1139 I C 1.030 176.461 176.117 -1.143 0.000 1.018 1139 I CA -0.799 60.042 61.300 -0.765 0.000 1.173 1139 I CB 0.736 38.409 38.000 -0.545 0.000 1.326 1139 I HN 0.381 nan 8.210 nan 0.000 0.462 1140 H N 4.907 123.587 119.070 -0.649 0.000 2.852 1140 H HA 0.294 4.850 4.556 -0.001 0.000 0.362 1140 H C 0.082 175.367 175.328 -0.072 0.000 1.122 1140 H CA -0.261 55.575 56.048 -0.353 0.000 1.419 1140 H CB 0.825 30.602 29.762 0.025 0.000 1.401 1140 H HN 0.625 nan 8.280 nan 0.000 0.609 1141 G N -1.068 107.821 108.800 0.148 0.000 2.532 1141 G HA2 0.457 4.416 3.960 -0.001 0.000 0.291 1141 G HA3 0.457 4.416 3.960 -0.001 0.000 0.291 1141 G C 0.425 175.525 174.900 0.333 0.000 1.349 1141 G CA -0.640 44.570 45.100 0.183 0.000 1.038 1141 G HN 1.194 nan 8.290 nan 0.000 0.518 1142 G N -2.991 105.966 108.800 0.262 0.000 2.363 1142 G HA2 0.407 4.366 3.960 -0.001 0.000 0.213 1142 G HA3 0.407 4.366 3.960 -0.001 0.000 0.213 1142 G C 1.044 176.023 174.900 0.131 0.000 1.028 1142 G CA 0.764 45.990 45.100 0.209 0.000 0.822 1142 G HN 2.312 nan 8.290 nan 0.000 0.536 1143 G N 0.188 109.058 108.800 0.116 0.000 2.187 1143 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.261 1143 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.261 1143 G C 1.135 176.019 174.900 -0.027 0.000 1.000 1143 G CA 0.712 45.839 45.100 0.045 0.000 0.718 1143 G HN 1.718 nan 8.290 nan 0.000 0.519 1144 L N -3.372 117.860 121.223 0.015 0.000 4.696 1144 L HA -0.277 4.063 4.340 -0.001 0.000 0.425 1144 L C 1.969 178.880 176.870 0.069 0.000 1.115 1144 L CA 1.608 56.456 54.840 0.013 0.000 0.996 1144 L CB -1.412 40.402 42.059 -0.409 0.000 2.077 1144 L HN 0.441 nan 8.230 nan 0.000 0.792 1145 M N -1.495 118.142 119.600 0.062 0.000 2.638 1145 M HA 0.316 4.796 4.480 -0.001 0.000 0.256 1145 M C 0.834 177.196 176.300 0.104 0.000 1.282 1145 M CA 1.265 56.608 55.300 0.072 0.000 1.155 1145 M CB 0.475 33.095 32.600 0.033 0.000 1.345 1145 M HN 0.240 nan 8.290 nan 0.000 0.523 1146 V N -2.880 117.095 119.914 0.102 0.000 3.103 1146 V HA 1.044 5.164 4.120 -0.001 0.000 0.311 1146 V C -0.179 175.999 176.094 0.140 0.000 1.322 1146 V CA -0.194 62.157 62.300 0.084 0.000 1.063 1146 V CB 1.189 33.042 31.823 0.051 0.000 1.090 1146 V HN 0.554 nan 8.190 nan 0.000 0.462 1147 G N -0.964 107.863 108.800 0.044 0.000 2.479 1147 G HA2 0.601 4.560 3.960 -0.001 0.000 0.686 1147 G HA3 0.601 4.560 3.960 -0.001 0.000 0.686 1147 G C -0.534 174.077 174.900 -0.481 0.000 1.295 1147 G CA -0.151 44.921 45.100 -0.047 0.000 0.922 1147 G HN 2.835 nan 8.290 nan 0.000 0.582 1148 A N -1.565 120.755 122.820 -0.833 0.000 2.586 1148 A HA 1.032 5.352 4.320 -0.001 0.000 0.291 1148 A C 0.749 178.127 177.584 -0.343 0.000 1.062 1148 A CA 0.865 52.521 52.037 -0.634 0.000 0.666 1148 A CB 0.597 19.448 19.000 -0.249 0.000 1.281 1148 A HN 2.563 nan 8.150 nan 0.000 0.421 1149 A N 0.103 122.881 122.820 -0.070 0.000 1.930 1149 A HA 0.176 4.496 4.320 -0.001 0.000 0.215 1149 A C 2.009 179.714 177.584 0.203 0.000 1.176 1149 A CA 2.243 54.385 52.037 0.175 0.000 0.632 1149 A CB -0.773 18.361 19.000 0.223 0.000 0.819 1149 A HN 1.157 nan 8.150 nan 0.000 0.445 1150 S N -0.039 115.718 115.700 0.095 0.000 2.440 1150 S HA -0.117 4.352 4.470 -0.001 0.000 0.238 1150 S C 1.825 176.359 174.600 -0.110 0.000 1.010 1150 S CA 1.577 59.792 58.200 0.026 0.000 0.972 1150 S CB -0.471 62.668 63.200 -0.101 0.000 0.774 1150 S HN 0.692 nan 8.310 nan 0.000 0.501 1151 T N 0.761 115.258 114.554 -0.095 0.000 2.881 1151 T HA -0.062 4.287 4.350 -0.001 0.000 0.270 1151 T C -0.117 174.251 174.700 -0.554 0.000 1.068 1151 T CA 1.033 62.945 62.100 -0.312 0.000 1.131 1151 T CB -0.223 68.431 68.868 -0.356 0.000 0.871 1151 T HN 0.375 nan 8.240 nan 0.000 0.479 1152 Y N 1.528 121.633 120.300 -0.327 0.000 2.342 1152 Y HA 0.467 5.016 4.550 -0.001 0.000 0.338 1152 Y C -0.026 175.620 175.900 -0.423 0.000 0.965 1152 Y CA -2.409 55.313 58.100 -0.629 0.000 1.159 1152 Y CB 0.561 38.333 38.460 -1.147 0.000 1.157 1152 Y HN -0.111 nan 8.280 nan 0.000 0.486 1153 D N 2.085 122.311 120.400 -0.290 0.000 2.280 1153 D HA 0.237 4.877 4.640 -0.001 0.000 0.243 1153 D C 0.887 176.968 176.300 -0.366 0.000 1.129 1153 D CA -0.182 53.678 54.000 -0.233 0.000 0.848 1153 D CB 1.673 42.417 40.800 -0.094 0.000 1.107 1153 D HN 0.838 nan 8.370 nan 0.000 0.471 1154 G N 3.135 111.302 108.800 -1.054 0.000 3.042 1154 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.212 1154 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.212 1154 G C 1.320 175.965 174.900 -0.425 0.000 1.166 1154 G CA -0.092 44.588 45.100 -0.700 0.000 0.767 1154 G HN 0.489 nan 8.290 nan 0.000 0.546 1155 L N 1.652 122.692 121.223 -0.305 0.000 1.971 1155 L HA -0.033 4.307 4.340 -0.001 0.000 0.215 1155 L C 2.953 179.803 176.870 -0.033 0.000 1.072 1155 L CA 2.615 57.464 54.840 0.015 0.000 0.758 1155 L CB -0.648 41.474 42.059 0.105 0.000 0.889 1155 L HN 0.198 nan 8.230 nan 0.000 0.433 1156 A N -0.679 122.123 122.820 -0.030 0.000 1.865 1156 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 1156 A C 2.277 179.799 177.584 -0.104 0.000 1.191 1156 A CA 2.168 54.185 52.037 -0.033 0.000 0.623 1156 A CB -1.254 17.737 19.000 -0.015 0.000 0.826 1156 A HN 0.520 nan 8.150 nan 0.000 0.444 1157 L N -0.339 120.802 121.223 -0.136 0.000 2.079 1157 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 1157 L C 2.663 179.474 176.870 -0.099 0.000 1.081 1157 L CA 2.199 56.943 54.840 -0.159 0.000 0.752 1157 L CB -0.818 41.107 42.059 -0.224 0.000 0.896 1157 L HN 0.381 nan 8.230 nan 0.000 0.433 1158 A N -0.658 122.124 122.820 -0.064 0.000 1.855 1158 A HA -0.061 4.259 4.320 -0.001 0.000 0.215 1158 A C 2.440 179.962 177.584 -0.104 0.000 1.191 1158 A CA 1.866 53.894 52.037 -0.017 0.000 0.613 1158 A CB -1.195 17.857 19.000 0.087 0.000 0.829 1158 A HN 0.547 nan 8.150 nan 0.000 0.442 1159 A N -1.076 121.591 122.820 -0.254 0.000 1.855 1159 A HA -0.169 4.151 4.320 -0.001 0.000 0.215 1159 A C 2.085 179.210 177.584 -0.764 0.000 1.191 1159 A CA 1.522 53.188 52.037 -0.617 0.000 0.613 1159 A CB -1.091 17.285 19.000 -1.040 0.000 0.829 1159 A HN 0.676 nan 8.150 nan 0.000 0.442 1160 H N -0.475 118.161 119.070 -0.724 0.000 2.290 1160 H HA -0.086 4.469 4.556 -0.001 0.000 0.298 1160 H C 1.087 176.354 175.328 -0.101 0.000 1.087 1160 H CA 1.708 57.563 56.048 -0.320 0.000 1.291 1160 H CB 0.118 29.677 29.762 -0.339 0.000 1.369 1160 H HN 0.416 nan 8.280 nan 0.000 0.492 1161 E N 0.474 120.676 120.200 0.003 0.000 2.476 1161 E HA -0.021 4.328 4.350 -0.001 0.000 0.196 1161 E C -0.028 176.576 176.600 0.008 0.000 1.029 1161 E CA -0.274 56.132 56.400 0.010 0.000 0.896 1161 E CB -0.374 29.323 29.700 -0.006 0.000 1.012 1161 E HN 0.340 nan 8.360 nan 0.000 0.475 1162 N N 0.617 119.313 118.700 -0.007 0.000 2.688 1162 N HA -0.185 4.554 4.740 -0.001 0.000 0.258 1162 N C -0.979 174.550 175.510 0.031 0.000 1.016 1162 N CA 0.782 53.841 53.050 0.015 0.000 0.747 1162 N CB -1.091 37.417 38.487 0.036 0.000 0.895 1162 N HN 0.060 nan 8.380 nan 0.000 0.543 1163 V N -2.658 117.276 119.914 0.033 0.000 2.962 1163 V HA 0.753 4.873 4.120 -0.001 0.000 0.313 1163 V C 0.375 176.528 176.094 0.097 0.000 1.099 1163 V CA -1.132 61.201 62.300 0.054 0.000 0.971 1163 V CB 2.195 34.034 31.823 0.026 0.000 1.028 1163 V HN -0.056 nan 8.190 nan 0.000 0.430 1164 V N 3.553 123.544 119.914 0.127 0.000 2.427 1164 V HA 0.338 4.458 4.120 -0.001 0.000 0.268 1164 V C 0.236 176.455 176.094 0.209 0.000 1.046 1164 V CA -0.121 62.290 62.300 0.185 0.000 0.970 1164 V CB 1.072 33.009 31.823 0.191 0.000 1.001 1164 V HN 0.722 nan 8.190 nan 0.000 0.476 1165 V N 6.286 126.362 119.914 0.270 0.000 2.427 1165 V HA 0.466 4.586 4.120 -0.001 0.000 0.286 1165 V C -0.101 176.243 176.094 0.417 0.000 1.034 1165 V CA -0.428 62.068 62.300 0.327 0.000 0.893 1165 V CB 1.906 33.892 31.823 0.272 0.000 0.982 1165 V HN 0.602 nan 8.190 nan 0.000 0.452 1166 V N 3.988 124.140 119.914 0.396 0.000 2.443 1166 V HA 0.453 4.573 4.120 -0.001 0.000 0.293 1166 V C 0.129 176.444 176.094 0.368 0.000 1.021 1166 V CA -0.560 61.944 62.300 0.341 0.000 0.848 1166 V CB 2.064 34.029 31.823 0.238 0.000 0.998 1166 V HN 0.992 nan 8.190 nan 0.000 0.424 1167 T N 3.833 118.615 114.554 0.379 0.000 2.767 1167 T HA 0.819 5.168 4.350 -0.001 0.000 0.284 1167 T C -0.375 174.481 174.700 0.261 0.000 0.973 1167 T CA -0.485 61.837 62.100 0.369 0.000 0.996 1167 T CB 1.384 70.483 68.868 0.385 0.000 0.927 1167 T HN 0.687 nan 8.240 nan 0.000 0.456 1168 I N 0.082 120.782 120.570 0.216 0.000 2.797 1168 I HA 0.664 4.834 4.170 -0.001 0.000 0.307 1168 I C -0.785 175.508 176.117 0.293 0.000 1.033 1168 I CA -1.301 60.099 61.300 0.166 0.000 1.071 1168 I CB 2.208 40.192 38.000 -0.027 0.000 1.255 1168 I HN 0.570 nan 8.210 nan 0.000 0.445 1169 Q N 2.523 122.537 119.800 0.357 0.000 2.348 1169 Q HA 0.568 4.907 4.340 -0.001 0.000 0.271 1169 Q C -1.895 174.377 176.000 0.454 0.000 1.067 1169 Q CA -0.806 55.207 55.803 0.350 0.000 0.839 1169 Q CB 2.822 31.699 28.738 0.231 0.000 1.354 1169 Q HN 0.728 nan 8.270 nan 0.000 0.447 1170 Y N -2.567 117.892 120.300 0.266 0.000 2.571 1170 Y HA 0.541 5.091 4.550 -0.001 0.000 0.341 1170 Y C -0.840 175.144 175.900 0.141 0.000 1.076 1170 Y CA -1.454 56.763 58.100 0.196 0.000 1.029 1170 Y CB 0.861 39.385 38.460 0.107 0.000 1.308 1170 Y HN 0.414 nan 8.280 nan 0.000 0.461 1171 R N 2.158 122.769 120.500 0.185 0.000 2.638 1171 R HA 0.358 4.698 4.340 -0.001 0.000 0.268 1171 R C -0.891 175.522 176.300 0.187 0.000 1.006 1171 R CA 0.279 56.451 56.100 0.120 0.000 1.088 1171 R CB 0.196 30.584 30.300 0.146 0.000 0.950 1171 R HN 0.704 nan 8.270 nan 0.000 0.419 1172 L N 1.107 122.461 121.223 0.217 0.000 2.279 1172 L HA 0.519 4.858 4.340 -0.001 0.000 0.262 1172 L C 1.250 178.406 176.870 0.477 0.000 1.019 1172 L CA -0.594 54.459 54.840 0.356 0.000 0.823 1172 L CB 1.510 43.678 42.059 0.181 0.000 1.358 1172 L HN 0.880 nan 8.230 nan 0.000 0.432 1173 G N 0.458 109.522 108.800 0.440 0.000 2.627 1173 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.312 1173 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.312 1173 G C 0.894 176.013 174.900 0.364 0.000 1.299 1173 G CA 0.675 45.954 45.100 0.298 0.000 0.989 1173 G HN 0.677 nan 8.290 nan 0.000 0.547 1174 I N -0.604 120.092 120.570 0.210 0.000 2.145 1174 I HA -0.248 3.921 4.170 -0.001 0.000 0.244 1174 I C 2.805 179.083 176.117 0.267 0.000 1.075 1174 I CA 2.564 63.934 61.300 0.117 0.000 1.332 1174 I CB -0.368 37.454 38.000 -0.297 0.000 1.033 1174 I HN 0.548 nan 8.210 nan 0.000 0.410 1175 W N 0.561 122.014 121.300 0.255 0.000 2.363 1175 W HA -0.068 4.591 4.660 -0.001 0.000 0.296 1175 W C 2.341 178.996 176.519 0.227 0.000 1.212 1175 W CA 1.272 58.690 57.345 0.122 0.000 1.260 1175 W CB -0.754 28.691 29.460 -0.025 0.000 1.131 1175 W HN 0.238 nan 8.180 nan 0.000 0.530 1176 G N -2.439 106.608 108.800 0.413 0.000 3.020 1176 G HA2 0.085 4.045 3.960 -0.001 0.000 0.217 1176 G HA3 0.085 4.045 3.960 -0.001 0.000 0.217 1176 G C 0.588 175.171 174.900 -0.529 0.000 1.144 1176 G CA 0.038 45.156 45.100 0.030 0.000 0.760 1176 G HN 0.118 nan 8.290 nan 0.000 0.548 1177 F N -1.122 119.042 119.950 0.356 0.000 2.899 1177 F HA 0.399 4.925 4.527 -0.001 0.000 0.337 1177 F C 0.247 176.112 175.800 0.108 0.000 1.129 1177 F CA -1.678 56.387 58.000 0.108 0.000 1.128 1177 F CB 0.234 39.243 39.000 0.015 0.000 1.154 1177 F HN 0.002 nan 8.300 nan 0.000 0.531 1178 F N 2.125 122.244 119.950 0.283 0.000 2.578 1178 F HA 0.349 4.876 4.527 -0.001 0.000 0.381 1178 F C 0.486 176.316 175.800 0.049 0.000 1.069 1178 F CA 0.404 58.466 58.000 0.104 0.000 1.231 1178 F CB 0.454 39.404 39.000 -0.083 0.000 1.086 1178 F HN -0.083 nan 8.300 nan 0.000 0.564 1179 S N 3.253 118.490 115.700 -0.772 0.000 2.549 1179 S HA 0.442 4.912 4.470 -0.001 0.000 0.280 1179 S C 0.301 174.461 174.600 -0.734 0.000 1.109 1179 S CA -0.064 57.795 58.200 -0.568 0.000 0.905 1179 S CB 1.585 64.596 63.200 -0.316 0.000 1.081 1179 S HN 0.791 nan 8.310 nan 0.000 0.477 1180 T N 0.214 114.525 114.554 -0.405 0.000 3.054 1180 T HA 0.433 4.782 4.350 -0.001 0.000 0.255 1180 T C 1.432 176.051 174.700 -0.135 0.000 1.035 1180 T CA 0.566 62.515 62.100 -0.252 0.000 0.941 1180 T CB 0.184 69.015 68.868 -0.062 0.000 1.026 1180 T HN 1.711 nan 8.240 nan 0.000 0.533 1181 G N 2.264 110.980 108.800 -0.139 0.000 2.199 1181 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.254 1181 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.254 1181 G C -0.201 174.662 174.900 -0.062 0.000 0.982 1181 G CA 0.362 45.405 45.100 -0.096 0.000 0.632 1181 G HN 0.924 nan 8.290 nan 0.000 0.529 1182 D N -1.271 119.106 120.400 -0.038 0.000 2.758 1182 D HA 0.500 5.139 4.640 -0.001 0.000 0.279 1182 D C 1.346 177.626 176.300 -0.034 0.000 1.111 1182 D CA -0.013 53.969 54.000 -0.031 0.000 1.109 1182 D CB -0.092 40.707 40.800 -0.001 0.000 1.428 1182 D HN 0.104 nan 8.370 nan 0.000 0.586 1183 E N -0.335 119.801 120.200 -0.107 0.000 2.409 1183 E HA -0.224 4.126 4.350 -0.001 0.000 0.198 1183 E C 0.825 177.382 176.600 -0.072 0.000 1.024 1183 E CA 1.103 57.438 56.400 -0.108 0.000 0.861 1183 E CB -0.596 29.000 29.700 -0.174 0.000 0.788 1183 E HN 0.519 nan 8.360 nan 0.000 0.521 1184 H N 0.431 119.555 119.070 0.089 0.000 2.524 1184 H HA 0.152 4.707 4.556 -0.001 0.000 0.282 1184 H C 0.332 175.768 175.328 0.181 0.000 1.016 1184 H CA 1.118 57.234 56.048 0.113 0.000 1.270 1184 H CB 0.466 30.278 29.762 0.084 0.000 1.394 1184 H HN 0.136 nan 8.280 nan 0.000 0.568 1185 S N -0.392 115.486 115.700 0.296 0.000 2.908 1185 S HA 0.146 4.615 4.470 -0.001 0.000 0.140 1185 S C 0.853 175.591 174.600 0.231 0.000 0.890 1185 S CA -0.558 57.903 58.200 0.436 0.000 0.995 1185 S CB -0.039 63.375 63.200 0.358 0.000 1.660 1185 S HN 0.186 nan 8.310 nan 0.000 0.507 1186 R N 1.359 121.943 120.500 0.141 0.000 2.113 1186 R HA 0.094 4.434 4.340 -0.001 0.000 0.244 1186 R C 1.452 177.529 176.300 -0.372 0.000 1.142 1186 R CA 1.648 57.664 56.100 -0.140 0.000 0.953 1186 R CB -0.311 29.895 30.300 -0.157 0.000 0.860 1186 R HN 0.888 nan 8.270 nan 0.000 0.438 1187 G N -1.311 106.966 108.800 -0.871 0.000 2.362 1187 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.517 1187 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.517 1187 G C -0.757 173.428 174.900 -1.192 0.000 1.256 1187 G CA -0.390 44.130 45.100 -0.967 0.000 1.027 1187 G HN 0.243 nan 8.290 nan 0.000 0.491 1188 N N -1.153 117.190 118.700 -0.595 0.000 2.741 1188 N HA -0.205 4.535 4.740 -0.001 0.000 0.251 1188 N C 1.228 176.477 175.510 -0.435 0.000 1.112 1188 N CA 1.976 54.864 53.050 -0.271 0.000 0.750 1188 N CB -1.557 36.909 38.487 -0.035 0.000 1.119 1188 N HN 0.714 nan 8.380 nan 0.000 0.561 1189 W N 0.618 121.779 121.300 -0.231 0.000 2.321 1189 W HA -0.125 4.535 4.660 -0.001 0.000 0.306 1189 W C 2.504 178.884 176.519 -0.232 0.000 1.217 1189 W CA 0.802 58.054 57.345 -0.156 0.000 1.257 1189 W CB -0.681 28.739 29.460 -0.066 0.000 1.145 1189 W HN 0.294 nan 8.180 nan 0.000 0.509 1190 G N -0.166 108.377 108.800 -0.429 0.000 2.440 1190 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 1190 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 1190 G C 1.217 176.017 174.900 -0.167 0.000 1.154 1190 G CA 1.320 46.273 45.100 -0.244 0.000 0.767 1190 G HN 0.306 nan 8.290 nan 0.000 0.552 1191 H N 0.392 119.402 119.070 -0.099 0.000 2.353 1191 H HA 0.056 4.611 4.556 -0.001 0.000 0.300 1191 H C 2.730 178.038 175.328 -0.033 0.000 1.090 1191 H CA 0.947 56.948 56.048 -0.078 0.000 1.327 1191 H CB -0.305 29.434 29.762 -0.038 0.000 1.383 1191 H HN 0.277 nan 8.280 nan 0.000 0.508 1192 L N 0.510 121.816 121.223 0.139 0.000 2.141 1192 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 1192 L C 2.081 179.058 176.870 0.178 0.000 1.094 1192 L CA 0.888 55.823 54.840 0.158 0.000 0.763 1192 L CB -0.265 41.925 42.059 0.219 0.000 0.908 1192 L HN 0.118 nan 8.230 nan 0.000 0.437 1193 D N 0.010 120.532 120.400 0.203 0.000 2.117 1193 D HA -0.197 4.442 4.640 -0.001 0.000 0.197 1193 D C 2.276 178.708 176.300 0.220 0.000 0.987 1193 D CA 1.171 55.365 54.000 0.324 0.000 0.829 1193 D CB -0.123 40.907 40.800 0.382 0.000 0.961 1193 D HN 0.427 nan 8.370 nan 0.000 0.460 1194 Q N 0.204 120.041 119.800 0.062 0.000 2.050 1194 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 1194 Q C 2.434 178.390 176.000 -0.073 0.000 0.980 1194 Q CA 0.886 56.640 55.803 -0.083 0.000 0.840 1194 Q CB -0.016 28.615 28.738 -0.177 0.000 0.898 1194 Q HN 0.139 nan 8.270 nan 0.000 0.424 1195 V N 0.954 120.870 119.914 0.003 0.000 2.407 1195 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 1195 V C 2.233 178.366 176.094 0.065 0.000 1.055 1195 V CA 1.730 64.049 62.300 0.031 0.000 1.049 1195 V CB -0.964 30.899 31.823 0.065 0.000 0.662 1195 V HN 0.408 nan 8.190 nan 0.000 0.455 1196 A N 0.062 122.954 122.820 0.119 0.000 1.933 1196 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 1196 A C 2.411 180.077 177.584 0.138 0.000 1.175 1196 A CA 1.958 54.119 52.037 0.207 0.000 0.628 1196 A CB -0.691 18.521 19.000 0.354 0.000 0.814 1196 A HN 0.565 nan 8.150 nan 0.000 0.444 1197 A N -0.406 122.281 122.820 -0.221 0.000 1.969 1197 A HA 0.025 4.345 4.320 -0.001 0.000 0.218 1197 A C 2.109 179.637 177.584 -0.093 0.000 1.169 1197 A CA 1.327 53.012 52.037 -0.587 0.000 0.635 1197 A CB -0.487 17.851 19.000 -1.103 0.000 0.810 1197 A HN 0.471 nan 8.150 nan 0.000 0.445 1198 L N -1.272 119.931 121.223 -0.033 0.000 2.156 1198 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 1198 L C 2.816 179.750 176.870 0.107 0.000 1.095 1198 L CA 0.983 55.851 54.840 0.047 0.000 0.770 1198 L CB -0.410 41.666 42.059 0.029 0.000 0.914 1198 L HN 0.376 nan 8.230 nan 0.000 0.439 1199 R N -1.101 119.475 120.500 0.127 0.000 2.090 1199 R HA -0.197 4.142 4.340 -0.001 0.000 0.228 1199 R C 2.079 178.471 176.300 0.152 0.000 1.110 1199 R CA 1.614 57.792 56.100 0.129 0.000 0.973 1199 R CB -0.406 29.978 30.300 0.140 0.000 0.869 1199 R HN 0.379 nan 8.270 nan 0.000 0.440 1200 W N 1.057 122.388 121.300 0.051 0.000 2.358 1200 W HA -0.202 4.458 4.660 -0.001 0.000 0.303 1200 W C 1.744 178.288 176.519 0.042 0.000 1.208 1200 W CA 1.186 58.573 57.345 0.069 0.000 1.274 1200 W CB -0.112 29.421 29.460 0.122 0.000 1.138 1200 W HN -0.239 nan 8.180 nan 0.000 0.515 1201 V N 0.942 121.050 119.914 0.323 0.000 2.407 1201 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 1201 V C 2.514 178.607 176.094 -0.001 0.000 1.055 1201 V CA 1.967 64.376 62.300 0.182 0.000 1.049 1201 V CB -0.941 31.013 31.823 0.218 0.000 0.662 1201 V HN 0.217 nan 8.190 nan 0.000 0.455 1202 Q N -0.197 119.613 119.800 0.017 0.000 2.084 1202 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 1202 Q C 1.927 177.877 176.000 -0.082 0.000 0.978 1202 Q CA 1.600 57.401 55.803 -0.004 0.000 0.844 1202 Q CB -0.397 28.355 28.738 0.023 0.000 0.898 1202 Q HN 0.663 nan 8.270 nan 0.000 0.426 1203 D N -0.532 119.767 120.400 -0.169 0.000 2.333 1203 D HA 0.004 4.643 4.640 -0.001 0.000 0.208 1203 D C 1.018 177.092 176.300 -0.377 0.000 0.984 1203 D CA 0.452 54.304 54.000 -0.247 0.000 0.873 1203 D CB 0.195 40.843 40.800 -0.254 0.000 0.935 1203 D HN 0.286 nan 8.370 nan 0.000 0.521 1204 N N -0.073 118.293 118.700 -0.556 0.000 2.211 1204 N HA 0.018 4.758 4.740 -0.001 0.000 0.216 1204 N C 1.593 176.969 175.510 -0.223 0.000 1.240 1204 N CA -0.192 52.507 53.050 -0.584 0.000 0.895 1204 N CB 0.963 38.651 38.487 -1.331 0.000 1.102 1204 N HN -0.008 nan 8.380 nan 0.000 0.498 1205 I N 2.704 123.185 120.570 -0.148 0.000 2.335 1205 I HA -0.172 3.997 4.170 -0.001 0.000 0.251 1205 I C 2.230 178.432 176.117 0.143 0.000 1.129 1205 I CA 0.737 62.094 61.300 0.095 0.000 1.402 1205 I CB -0.275 37.781 38.000 0.094 0.000 1.069 1205 I HN 0.084 nan 8.210 nan 0.000 0.424 1206 A N -1.003 121.838 122.820 0.034 0.000 1.940 1206 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 1206 A C 2.456 180.038 177.584 -0.003 0.000 1.176 1206 A CA 2.107 54.154 52.037 0.017 0.000 0.631 1206 A CB -1.044 17.940 19.000 -0.026 0.000 0.814 1206 A HN 0.447 nan 8.150 nan 0.000 0.446 1207 S N -0.978 114.686 115.700 -0.061 0.000 2.419 1207 S HA -0.091 4.379 4.470 -0.001 0.000 0.235 1207 S C 0.808 175.179 174.600 -0.380 0.000 1.019 1207 S CA 1.132 59.184 58.200 -0.246 0.000 0.982 1207 S CB -0.424 62.538 63.200 -0.396 0.000 0.789 1207 S HN 0.569 nan 8.310 nan 0.000 0.490 1208 F N 0.775 120.692 119.950 -0.054 0.000 2.660 1208 F HA 0.370 4.897 4.527 -0.001 0.000 0.297 1208 F C 1.592 177.424 175.800 0.053 0.000 1.132 1208 F CA -0.150 57.843 58.000 -0.011 0.000 1.372 1208 F CB -0.263 38.732 39.000 -0.008 0.000 1.003 1208 F HN 0.203 nan 8.300 nan 0.000 0.524 1209 G N 0.488 109.367 108.800 0.131 0.000 2.160 1209 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.251 1209 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.251 1209 G C 0.506 175.479 174.900 0.122 0.000 1.008 1209 G CA -0.097 45.071 45.100 0.112 0.000 0.724 1209 G HN 0.781 nan 8.290 nan 0.000 0.514 1210 G N -0.703 108.180 108.800 0.137 0.000 2.441 1210 G HA2 0.536 4.496 3.960 -0.001 0.000 0.334 1210 G HA3 0.536 4.496 3.960 -0.001 0.000 0.334 1210 G C -0.384 174.563 174.900 0.079 0.000 1.161 1210 G CA -0.258 44.914 45.100 0.120 0.000 0.935 1210 G HN 0.594 nan 8.290 nan 0.000 0.488 1211 N N 1.538 120.277 118.700 0.065 0.000 2.500 1211 N HA 0.307 5.046 4.740 -0.001 0.000 0.236 1211 N C -0.967 174.577 175.510 0.056 0.000 1.022 1211 N CA -2.285 50.789 53.050 0.040 0.000 0.935 1211 N CB 1.857 40.353 38.487 0.015 0.000 1.147 1211 N HN 0.109 nan 8.380 nan 0.000 0.512 1212 P HA -0.082 nan 4.420 nan 0.000 0.223 1212 P C 1.020 178.408 177.300 0.147 0.000 1.144 1212 P CA 0.878 64.032 63.100 0.090 0.000 0.783 1212 P CB 0.108 31.836 31.700 0.046 0.000 0.771 1213 G N -0.635 108.185 108.800 0.034 0.000 2.598 1213 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.215 1213 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.215 1213 G C 0.756 175.426 174.900 -0.382 0.000 1.131 1213 G CA 0.269 45.290 45.100 -0.132 0.000 0.785 1213 G HN 0.411 nan 8.290 nan 0.000 0.539 1214 S N 0.105 115.784 115.700 -0.034 0.000 2.204 1214 S HA 0.487 4.957 4.470 -0.001 0.000 0.147 1214 S C -0.833 173.908 174.600 0.234 0.000 1.711 1214 S CA -0.506 57.727 58.200 0.056 0.000 1.274 1214 S CB 0.422 63.600 63.200 -0.036 0.000 1.257 1214 S HN -0.060 nan 8.310 nan 0.000 0.404 1215 V N 3.483 123.675 119.914 0.463 0.000 2.394 1215 V HA 0.513 4.632 4.120 -0.001 0.000 0.282 1215 V C 0.268 176.465 176.094 0.172 0.000 1.031 1215 V CA -0.325 62.109 62.300 0.223 0.000 0.881 1215 V CB 1.714 33.629 31.823 0.154 0.000 0.982 1215 V HN 0.672 nan 8.190 nan 0.000 0.451 1216 T N 6.532 121.164 114.554 0.131 0.000 2.770 1216 T HA 0.587 4.936 4.350 -0.001 0.000 0.283 1216 T C -0.163 174.636 174.700 0.166 0.000 0.988 1216 T CA -0.175 61.990 62.100 0.107 0.000 0.957 1216 T CB 0.804 69.674 68.868 0.004 0.000 0.930 1216 T HN 0.608 nan 8.240 nan 0.000 0.443 1217 I N 1.841 122.495 120.570 0.139 0.000 2.353 1217 I HA 0.861 5.030 4.170 -0.001 0.000 0.293 1217 I C -0.907 175.378 176.117 0.280 0.000 0.992 1217 I CA -0.973 60.402 61.300 0.125 0.000 1.268 1217 I CB 0.838 38.708 38.000 -0.217 0.000 1.387 1217 I HN 0.481 nan 8.210 nan 0.000 0.478 1218 F N 3.293 123.256 119.950 0.021 0.000 2.608 1218 F HA 0.987 5.513 4.527 -0.001 0.000 0.309 1218 F C -0.492 175.219 175.800 -0.148 0.000 1.103 1218 F CA -1.389 56.655 58.000 0.074 0.000 0.954 1218 F CB 1.255 40.425 39.000 0.284 0.000 1.267 1218 F HN 0.801 nan 8.300 nan 0.000 0.444 1219 G N 1.241 109.821 108.800 -0.367 0.000 2.684 1219 G HA2 0.518 4.477 3.960 -0.001 0.000 0.290 1219 G HA3 0.518 4.477 3.960 -0.001 0.000 0.290 1219 G C -2.415 172.188 174.900 -0.496 0.000 1.425 1219 G CA -0.792 43.678 45.100 -1.050 0.000 0.822 1219 G HN 0.824 nan 8.290 nan 0.000 0.482 1220 E N 0.290 120.177 120.200 -0.521 0.000 2.212 1220 E HA 0.609 4.959 4.350 -0.001 0.000 0.268 1220 E C 0.639 177.255 176.600 0.026 0.000 0.902 1220 E CA 0.132 56.520 56.400 -0.020 0.000 0.779 1220 E CB 2.027 31.860 29.700 0.223 0.000 1.172 1220 E HN 0.637 nan 8.360 nan 0.000 0.409 1221 S N 2.597 118.391 115.700 0.157 0.000 4.139 1221 S HA -0.388 4.081 4.470 -0.001 0.000 0.603 1221 S C 1.414 176.120 174.600 0.177 0.000 1.897 1221 S CA 1.894 60.289 58.200 0.326 0.000 4.241 1221 S CB -1.556 61.927 63.200 0.471 0.000 0.221 1221 S HN 0.878 nan 8.310 nan 0.000 0.488 1222 A N 0.960 123.862 122.820 0.136 0.000 2.019 1222 A HA 0.202 4.521 4.320 -0.001 0.000 0.219 1222 A C 2.322 179.865 177.584 -0.068 0.000 1.164 1222 A CA 2.280 54.334 52.037 0.029 0.000 0.644 1222 A CB -1.342 17.677 19.000 0.032 0.000 0.805 1222 A HN 1.407 nan 8.150 nan 0.000 0.449 1223 G N -0.595 108.126 108.800 -0.131 0.000 2.403 1223 G HA2 0.102 4.062 3.960 -0.001 0.000 0.216 1223 G HA3 0.102 4.062 3.960 -0.001 0.000 0.216 1223 G C 1.473 176.213 174.900 -0.267 0.000 1.154 1223 G CA 1.099 46.003 45.100 -0.327 0.000 0.784 1223 G HN 0.633 nan 8.290 nan 0.000 0.538 1224 G N 0.418 109.137 108.800 -0.134 0.000 2.418 1224 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.217 1224 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.217 1224 G C 1.561 176.446 174.900 -0.025 0.000 1.158 1224 G CA 1.105 46.181 45.100 -0.040 0.000 0.771 1224 G HN 0.415 nan 8.290 nan 0.000 0.545 1225 E N 0.876 121.064 120.200 -0.019 0.000 2.153 1225 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 1225 E C 2.570 179.125 176.600 -0.074 0.000 0.988 1225 E CA 1.169 57.548 56.400 -0.033 0.000 0.811 1225 E CB -0.203 29.477 29.700 -0.032 0.000 0.746 1225 E HN 0.348 nan 8.360 nan 0.000 0.466 1226 S N -0.004 115.636 115.700 -0.100 0.000 2.368 1226 S HA -0.108 4.362 4.470 -0.001 0.000 0.224 1226 S C 2.121 176.601 174.600 -0.200 0.000 1.029 1226 S CA 1.044 59.174 58.200 -0.116 0.000 0.988 1226 S CB -0.167 62.897 63.200 -0.226 0.000 0.838 1226 S HN 0.130 nan 8.310 nan 0.000 0.462 1227 V N 1.334 121.120 119.914 -0.213 0.000 2.295 1227 V HA -0.171 3.948 4.120 -0.001 0.000 0.246 1227 V C 2.597 178.537 176.094 -0.257 0.000 1.049 1227 V CA 2.027 64.170 62.300 -0.261 0.000 1.024 1227 V CB -0.853 30.875 31.823 -0.158 0.000 0.648 1227 V HN 0.560 nan 8.190 nan 0.000 0.447 1228 S N -0.610 115.022 115.700 -0.112 0.000 2.383 1228 S HA -0.179 4.291 4.470 -0.001 0.000 0.229 1228 S C 1.925 176.450 174.600 -0.126 0.000 1.030 1228 S CA 1.951 60.123 58.200 -0.048 0.000 1.002 1228 S CB -0.194 63.041 63.200 0.058 0.000 0.829 1228 S HN 0.341 nan 8.310 nan 0.000 0.467 1229 V N 1.849 121.660 119.914 -0.172 0.000 2.323 1229 V HA -0.075 4.044 4.120 -0.001 0.000 0.244 1229 V C 2.370 178.343 176.094 -0.201 0.000 1.041 1229 V CA 1.658 63.827 62.300 -0.217 0.000 1.025 1229 V CB -0.645 30.963 31.823 -0.359 0.000 0.656 1229 V HN 0.472 nan 8.190 nan 0.000 0.451 1230 L N -0.303 120.776 121.223 -0.240 0.000 2.079 1230 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 1230 L C 2.457 179.304 176.870 -0.039 0.000 1.081 1230 L CA 1.072 55.785 54.840 -0.211 0.000 0.752 1230 L CB -0.741 41.057 42.059 -0.435 0.000 0.896 1230 L HN 0.198 nan 8.230 nan 0.000 0.433 1231 V N 0.182 120.035 119.914 -0.101 0.000 2.568 1231 V HA -0.257 3.862 4.120 -0.001 0.000 0.253 1231 V C 2.034 178.242 176.094 0.191 0.000 1.072 1231 V CA 1.504 63.883 62.300 0.132 0.000 1.084 1231 V CB -0.354 31.341 31.823 -0.214 0.000 0.676 1231 V HN 0.413 nan 8.190 nan 0.000 0.469 1232 L N -1.094 120.156 121.223 0.046 0.000 2.640 1232 L HA 0.226 4.566 4.340 -0.001 0.000 0.230 1232 L C 0.971 177.760 176.870 -0.136 0.000 1.123 1232 L CA 0.143 54.966 54.840 -0.029 0.000 0.900 1232 L CB 0.304 42.317 42.059 -0.076 0.000 1.146 1232 L HN 0.186 nan 8.230 nan 0.000 0.484 1233 S N -0.139 115.545 115.700 -0.027 0.000 2.462 1233 S HA 0.356 4.826 4.470 -0.001 0.000 0.294 1233 S C -1.783 172.871 174.600 0.091 0.000 1.144 1233 S CA -1.436 56.733 58.200 -0.052 0.000 1.088 1233 S CB 1.484 64.657 63.200 -0.046 0.000 1.009 1233 S HN -0.142 nan 8.310 nan 0.000 0.484 1234 P HA -0.007 nan 4.420 nan 0.000 0.218 1234 P C 1.264 178.685 177.300 0.202 0.000 1.149 1234 P CA 0.809 64.040 63.100 0.218 0.000 0.817 1234 P CB 0.073 31.808 31.700 0.059 0.000 0.785 1235 L N -1.166 120.125 121.223 0.113 0.000 2.131 1235 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 1235 L C 2.216 179.164 176.870 0.130 0.000 1.092 1235 L CA 1.517 56.418 54.840 0.102 0.000 0.759 1235 L CB -0.998 41.101 42.059 0.066 0.000 0.903 1235 L HN -0.015 nan 8.230 nan 0.000 0.435 1236 A N -0.476 122.447 122.820 0.172 0.000 2.178 1236 A HA -0.046 4.274 4.320 -0.001 0.000 0.211 1236 A C 1.179 178.928 177.584 0.275 0.000 1.157 1236 A CA -0.129 52.050 52.037 0.237 0.000 0.780 1236 A CB -0.188 18.967 19.000 0.259 0.000 0.828 1236 A HN 0.215 nan 8.150 nan 0.000 0.476 1237 K N 1.037 121.565 120.400 0.214 0.000 2.530 1237 K HA -0.100 4.219 4.320 -0.001 0.000 0.280 1237 K C -0.145 176.464 176.600 0.015 0.000 1.004 1237 K CA 0.727 57.062 56.287 0.079 0.000 1.071 1237 K CB -0.003 32.588 32.500 0.150 0.000 0.876 1237 K HN 0.404 nan 8.250 nan 0.000 0.487 1238 N N 1.948 120.596 118.700 -0.086 0.000 2.863 1238 N HA -0.227 4.512 4.740 -0.001 0.000 0.245 1238 N C 0.362 175.810 175.510 -0.103 0.000 1.001 1238 N CA 1.349 54.370 53.050 -0.049 0.000 0.901 1238 N CB -1.140 37.362 38.487 0.025 0.000 1.124 1238 N HN 0.595 nan 8.380 nan 0.000 0.582 1239 L N -0.948 120.228 121.223 -0.078 0.000 2.477 1239 L HA 0.218 4.558 4.340 -0.001 0.000 0.220 1239 L C 0.450 177.321 176.870 0.001 0.000 1.106 1239 L CA 0.337 55.196 54.840 0.031 0.000 0.851 1239 L CB -0.044 42.110 42.059 0.158 0.000 0.994 1239 L HN 0.175 nan 8.230 nan 0.000 0.462 1240 F N -4.154 115.544 119.950 -0.420 0.000 2.662 1240 F HA 0.484 5.011 4.527 -0.001 0.000 0.312 1240 F C 0.432 175.801 175.800 -0.719 0.000 1.113 1240 F CA -1.072 56.617 58.000 -0.517 0.000 0.951 1240 F CB 0.758 39.609 39.000 -0.248 0.000 1.344 1240 F HN -0.128 nan 8.300 nan 0.000 0.462 1241 H N -0.016 119.015 119.070 -0.066 0.000 3.170 1241 H HA 0.427 4.982 4.556 -0.001 0.000 0.264 1241 H C -0.486 174.764 175.328 -0.129 0.000 1.113 1241 H CA -0.091 55.851 56.048 -0.176 0.000 1.194 1241 H CB 0.756 30.455 29.762 -0.105 0.000 1.553 1241 H HN 0.535 nan 8.280 nan 0.000 0.538 1242 R N 0.339 120.884 120.500 0.075 0.000 2.629 1242 R HA 0.715 5.054 4.340 -0.001 0.000 0.266 1242 R C -1.406 175.002 176.300 0.181 0.000 1.051 1242 R CA -0.723 55.384 56.100 0.012 0.000 0.895 1242 R CB 2.332 32.458 30.300 -0.291 0.000 1.246 1242 R HN 0.080 nan 8.270 nan 0.000 0.459 1243 A N 2.627 125.590 122.820 0.239 0.000 2.454 1243 A HA 0.858 5.178 4.320 -0.001 0.000 0.302 1243 A C -0.999 176.824 177.584 0.398 0.000 1.079 1243 A CA -0.794 51.362 52.037 0.198 0.000 0.731 1243 A CB 1.433 20.360 19.000 -0.120 0.000 1.299 1243 A HN 0.630 nan 8.150 nan 0.000 0.413 1244 I N 1.148 121.903 120.570 0.308 0.000 2.512 1244 I HA 0.315 4.484 4.170 -0.001 0.000 0.287 1244 I C -0.379 175.902 176.117 0.274 0.000 1.069 1244 I CA -0.259 61.194 61.300 0.255 0.000 1.056 1244 I CB 2.346 40.406 38.000 0.100 0.000 1.229 1244 I HN 0.470 nan 8.210 nan 0.000 0.429 1245 S N 5.176 121.015 115.700 0.232 0.000 2.474 1245 S HA 0.377 4.847 4.470 -0.001 0.000 0.321 1245 S C -0.527 174.158 174.600 0.142 0.000 1.080 1245 S CA -0.647 57.651 58.200 0.164 0.000 1.106 1245 S CB 1.013 64.306 63.200 0.155 0.000 0.984 1245 S HN 0.475 nan 8.310 nan 0.000 0.464 1246 E N 1.739 122.063 120.200 0.207 0.000 2.113 1246 E HA 0.337 4.686 4.350 -0.001 0.000 0.273 1246 E C -0.453 176.253 176.600 0.177 0.000 0.924 1246 E CA -0.580 55.985 56.400 0.275 0.000 0.764 1246 E CB 1.154 31.098 29.700 0.407 0.000 1.104 1246 E HN 0.610 nan 8.360 nan 0.000 0.406 1247 S N 1.999 117.788 115.700 0.147 0.000 3.484 1247 S HA -0.145 4.325 4.470 -0.001 0.000 0.384 1247 S C 0.062 174.902 174.600 0.399 0.000 0.932 1247 S CA 0.600 58.904 58.200 0.172 0.000 1.293 1247 S CB -1.064 62.157 63.200 0.035 0.000 0.919 1247 S HN 0.948 nan 8.310 nan 0.000 0.540 1248 G N -0.840 108.169 108.800 0.349 0.000 2.050 1248 G HA2 0.493 4.452 3.960 -0.001 0.000 0.274 1248 G HA3 0.493 4.452 3.960 -0.001 0.000 0.274 1248 G C -0.850 174.119 174.900 0.114 0.000 1.733 1248 G CA 0.005 45.278 45.100 0.289 0.000 0.905 1248 G HN 1.475 nan 8.290 nan 0.000 0.728 1249 V N -0.519 119.421 119.914 0.043 0.000 3.182 1249 V HA 0.929 5.048 4.120 -0.001 0.000 0.308 1249 V C 1.360 177.429 176.094 -0.041 0.000 1.240 1249 V CA -0.040 62.265 62.300 0.009 0.000 1.063 1249 V CB 1.095 32.914 31.823 -0.006 0.000 1.076 1249 V HN 2.076 nan 8.190 nan 0.000 0.446 1250 A N -0.197 122.600 122.820 -0.038 0.000 2.070 1250 A HA 0.078 4.397 4.320 -0.001 0.000 0.220 1250 A C 1.611 179.136 177.584 -0.099 0.000 1.159 1250 A CA 1.828 53.819 52.037 -0.076 0.000 0.656 1250 A CB -0.731 18.229 19.000 -0.066 0.000 0.800 1250 A HN 0.847 nan 8.150 nan 0.000 0.453 1251 L N -0.148 121.017 121.223 -0.096 0.000 2.591 1251 L HA 0.035 4.374 4.340 -0.001 0.000 0.228 1251 L C 0.293 177.054 176.870 -0.181 0.000 1.133 1251 L CA 0.064 54.828 54.840 -0.127 0.000 0.880 1251 L CB -0.287 41.712 42.059 -0.101 0.000 1.033 1251 L HN 0.105 nan 8.230 nan 0.000 0.450 1252 T N 0.491 114.929 114.554 -0.192 0.000 3.842 1252 T HA 0.012 4.361 4.350 -0.001 0.000 0.267 1252 T C 1.565 176.106 174.700 -0.266 0.000 1.173 1252 T CA 0.433 62.364 62.100 -0.282 0.000 1.142 1252 T CB 0.208 68.896 68.868 -0.300 0.000 1.191 1252 T HN 0.461 nan 8.240 nan 0.000 0.895 1253 S N 2.119 117.657 115.700 -0.270 0.000 2.429 1253 S HA -0.234 4.235 4.470 -0.001 0.000 0.251 1253 S C 2.137 176.597 174.600 -0.232 0.000 1.104 1253 S CA 1.793 59.840 58.200 -0.255 0.000 1.130 1253 S CB -1.001 62.018 63.200 -0.302 0.000 1.000 1253 S HN 0.487 nan 8.310 nan 0.000 0.449 1254 V N 1.385 121.149 119.914 -0.250 0.000 2.546 1254 V HA -0.076 4.044 4.120 -0.001 0.000 0.254 1254 V C 2.101 178.094 176.094 -0.168 0.000 1.076 1254 V CA 2.135 64.314 62.300 -0.202 0.000 1.087 1254 V CB -0.533 31.172 31.823 -0.197 0.000 0.674 1254 V HN 0.673 nan 8.190 nan 0.000 0.470 1255 L N -0.603 120.515 121.223 -0.176 0.000 2.529 1255 L HA 0.192 4.532 4.340 -0.001 0.000 0.223 1255 L C 0.311 177.081 176.870 -0.167 0.000 1.113 1255 L CA -0.021 54.717 54.840 -0.170 0.000 0.861 1255 L CB 0.482 42.451 42.059 -0.151 0.000 1.012 1255 L HN 0.125 nan 8.230 nan 0.000 0.461 1256 V N 0.846 120.666 119.914 -0.155 0.000 2.417 1256 V HA 0.274 4.394 4.120 -0.001 0.000 0.291 1256 V C -0.147 175.870 176.094 -0.128 0.000 1.024 1256 V CA -0.957 61.261 62.300 -0.137 0.000 0.861 1256 V CB 1.710 33.451 31.823 -0.137 0.000 0.985 1256 V HN 0.023 nan 8.190 nan 0.000 0.436 1257 K N 4.670 125.004 120.400 -0.110 0.000 2.250 1257 K HA 0.418 4.738 4.320 -0.001 0.000 0.280 1257 K C -0.273 176.273 176.600 -0.090 0.000 1.098 1257 K CA -0.179 56.051 56.287 -0.095 0.000 0.916 1257 K CB 0.912 33.362 32.500 -0.084 0.000 1.209 1257 K HN 0.569 nan 8.250 nan 0.000 0.461 1258 K N 0.757 121.104 120.400 -0.088 0.000 2.110 1258 K HA 0.554 4.874 4.320 -0.001 0.000 0.263 1258 K C 0.424 176.988 176.600 -0.061 0.000 0.975 1258 K CA -0.301 55.938 56.287 -0.080 0.000 0.895 1258 K CB 1.377 33.824 32.500 -0.088 0.000 1.060 1258 K HN 0.750 nan 8.250 nan 0.000 0.448 1259 G N 1.872 110.638 108.800 -0.055 0.000 2.728 1259 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.294 1259 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.294 1259 G C -1.082 173.790 174.900 -0.045 0.000 1.342 1259 G CA -0.650 44.424 45.100 -0.043 0.000 0.866 1259 G HN 0.744 nan 8.290 nan 0.000 0.534 1260 D N -0.509 119.869 120.400 -0.036 0.000 2.434 1260 D HA 0.306 4.946 4.640 -0.001 0.000 0.252 1260 D C 1.690 177.962 176.300 -0.046 0.000 1.185 1260 D CA 0.829 54.806 54.000 -0.040 0.000 0.886 1260 D CB 1.218 42.000 40.800 -0.028 0.000 1.148 1260 D HN 1.421 nan 8.370 nan 0.000 0.483 1261 V N 1.955 121.830 119.914 -0.065 0.000 3.647 1261 V HA 0.182 4.302 4.120 -0.001 0.000 0.279 1261 V C 1.881 177.921 176.094 -0.090 0.000 1.314 1261 V CA 0.176 62.428 62.300 -0.081 0.000 1.125 1261 V CB -0.173 31.582 31.823 -0.113 0.000 0.907 1261 V HN 0.325 nan 8.190 nan 0.000 0.434 1262 K N 2.007 122.365 120.400 -0.069 0.000 2.063 1262 K HA -0.018 4.302 4.320 -0.001 0.000 0.208 1262 K C -0.222 176.356 176.600 -0.038 0.000 1.048 1262 K CA 2.337 58.588 56.287 -0.059 0.000 0.928 1262 K CB -1.541 30.939 32.500 -0.034 0.000 0.713 1262 K HN 0.466 nan 8.250 nan 0.000 0.442 1263 P HA -0.175 nan 4.420 nan 0.000 0.215 1263 P C 1.386 178.690 177.300 0.007 0.000 1.157 1263 P CA 1.039 64.136 63.100 -0.005 0.000 0.868 1263 P CB 0.026 31.724 31.700 -0.003 0.000 0.788 1264 L N -0.913 120.310 121.223 0.000 0.000 2.012 1264 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 1264 L C 2.219 179.118 176.870 0.049 0.000 1.073 1264 L CA 1.954 56.813 54.840 0.032 0.000 0.748 1264 L CB -0.946 41.126 42.059 0.022 0.000 0.891 1264 L HN -0.042 nan 8.230 nan 0.000 0.431 1265 A N -0.110 122.691 122.820 -0.032 0.000 1.892 1265 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 1265 A C 2.004 179.680 177.584 0.154 0.000 1.188 1265 A CA 2.088 54.115 52.037 -0.017 0.000 0.631 1265 A CB -0.645 18.207 19.000 -0.247 0.000 0.822 1265 A HN 0.605 nan 8.150 nan 0.000 0.447 1266 E N -0.895 119.349 120.200 0.075 0.000 2.051 1266 E HA -0.283 4.066 4.350 -0.001 0.000 0.192 1266 E C 2.286 178.930 176.600 0.073 0.000 0.991 1266 E CA 1.389 57.833 56.400 0.073 0.000 0.799 1266 E CB -0.262 29.460 29.700 0.038 0.000 0.748 1266 E HN 0.849 nan 8.360 nan 0.000 0.449 1267 Q N 1.063 120.902 119.800 0.065 0.000 2.096 1267 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 1267 Q C 2.179 178.224 176.000 0.074 0.000 0.982 1267 Q CA 1.442 57.278 55.803 0.054 0.000 0.850 1267 Q CB -0.114 28.651 28.738 0.045 0.000 0.901 1267 Q HN 0.297 nan 8.270 nan 0.000 0.422 1268 I N 0.595 121.245 120.570 0.133 0.000 2.179 1268 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 1268 I C 2.502 178.665 176.117 0.077 0.000 1.088 1268 I CA 0.974 62.364 61.300 0.150 0.000 1.357 1268 I CB -0.549 37.620 38.000 0.282 0.000 1.051 1268 I HN 0.344 nan 8.210 nan 0.000 0.409 1269 A N 1.198 124.073 122.820 0.092 0.000 1.883 1269 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 1269 A C 2.289 179.880 177.584 0.013 0.000 1.186 1269 A CA 1.605 53.658 52.037 0.026 0.000 0.624 1269 A CB -0.868 18.167 19.000 0.057 0.000 0.822 1269 A HN 0.392 nan 8.150 nan 0.000 0.444 1270 I N -0.401 120.184 120.570 0.026 0.000 2.179 1270 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 1270 I C 2.469 178.588 176.117 0.004 0.000 1.088 1270 I CA 1.772 63.080 61.300 0.013 0.000 1.357 1270 I CB -0.775 37.234 38.000 0.014 0.000 1.051 1270 I HN 0.244 nan 8.210 nan 0.000 0.409 1271 T N 0.728 115.286 114.554 0.007 0.000 2.881 1271 T HA -0.098 4.251 4.350 -0.001 0.000 0.270 1271 T C 1.768 176.465 174.700 -0.005 0.000 1.068 1271 T CA 1.332 63.432 62.100 -0.001 0.000 1.131 1271 T CB -0.208 68.659 68.868 -0.000 0.000 0.871 1271 T HN 0.488 nan 8.240 nan 0.000 0.479 1272 A N 0.377 123.191 122.820 -0.010 0.000 2.251 1272 A HA 0.542 4.862 4.320 -0.001 0.000 0.209 1272 A C 1.695 179.265 177.584 -0.023 0.000 1.187 1272 A CA 0.553 52.575 52.037 -0.024 0.000 0.823 1272 A CB -0.528 18.442 19.000 -0.051 0.000 0.846 1272 A HN 0.728 nan 8.150 nan 0.000 0.486 1273 G N -1.505 107.285 108.800 -0.015 0.000 2.248 1273 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.252 1273 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.252 1273 G C -0.124 174.766 174.900 -0.016 0.000 1.085 1273 G CA -0.020 45.072 45.100 -0.013 0.000 0.845 1273 G HN 0.637 nan 8.290 nan 0.000 0.494 1274 c N 0.067 118.658 118.600 -0.015 0.000 2.507 1274 c HA 0.677 5.246 4.570 -0.001 0.000 0.319 1274 c C 0.857 174.947 174.090 -0.000 0.000 1.208 1274 c CA -1.104 55.217 56.329 -0.014 0.000 1.619 1274 c CB 1.611 44.103 42.510 -0.029 0.000 2.230 1274 c HN 0.591 nan 8.230 nan 0.000 0.492 1275 K N 0.637 121.040 120.400 0.005 0.000 2.180 1275 K HA 0.347 4.666 4.320 -0.001 0.000 0.251 1275 K C 0.804 177.414 176.600 0.016 0.000 1.014 1275 K CA 0.166 56.459 56.287 0.010 0.000 0.913 1275 K CB 0.386 32.892 32.500 0.011 0.000 1.008 1275 K HN 0.854 nan 8.250 nan 0.000 0.490 1276 T N -3.097 111.468 114.554 0.017 0.000 3.252 1276 T HA 0.058 4.408 4.350 -0.001 0.000 0.286 1276 T C 1.131 175.840 174.700 0.015 0.000 1.013 1276 T CA -0.403 61.711 62.100 0.023 0.000 0.914 1276 T CB 0.087 68.971 68.868 0.026 0.000 1.131 1276 T HN 0.420 nan 8.240 nan 0.000 0.529 1277 T N 3.068 117.628 114.554 0.010 0.000 2.649 1277 T HA -0.100 4.250 4.350 -0.001 0.000 0.268 1277 T C 1.171 175.871 174.700 0.000 0.000 1.036 1277 T CA 2.215 64.318 62.100 0.004 0.000 1.157 1277 T CB -0.459 68.409 68.868 0.001 0.000 0.861 1277 T HN 0.900 nan 8.240 nan 0.000 0.445 1278 T N -2.947 111.603 114.554 -0.006 0.000 2.762 1278 T HA 0.480 4.830 4.350 -0.001 0.000 0.301 1278 T C 0.925 175.611 174.700 -0.024 0.000 1.299 1278 T CA -0.237 61.852 62.100 -0.018 0.000 1.005 1278 T CB 1.508 70.348 68.868 -0.046 0.000 1.377 1278 T HN -0.158 nan 8.240 nan 0.000 0.504 1279 S N 0.524 116.206 115.700 -0.030 0.000 2.348 1279 S HA -0.023 4.447 4.470 -0.001 0.000 0.221 1279 S C 2.531 177.078 174.600 -0.089 0.000 1.033 1279 S CA 1.459 59.655 58.200 -0.006 0.000 1.010 1279 S CB -1.085 62.177 63.200 0.104 0.000 0.891 1279 S HN 0.995 nan 8.310 nan 0.000 0.442 1280 A N 1.177 123.778 122.820 -0.365 0.000 1.940 1280 A HA -0.083 4.237 4.320 -0.001 0.000 0.219 1280 A C 2.339 179.874 177.584 -0.081 0.000 1.176 1280 A CA 1.673 53.507 52.037 -0.338 0.000 0.631 1280 A CB -0.959 17.720 19.000 -0.535 0.000 0.814 1280 A HN 0.352 nan 8.150 nan 0.000 0.446 1281 V N -0.252 119.626 119.914 -0.061 0.000 2.427 1281 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 1281 V C 2.606 178.731 176.094 0.052 0.000 1.051 1281 V CA 2.129 64.440 62.300 0.019 0.000 1.048 1281 V CB -0.707 31.118 31.823 0.003 0.000 0.666 1281 V HN 0.569 nan 8.190 nan 0.000 0.456 1282 M N -0.509 119.112 119.600 0.036 0.000 2.067 1282 M HA -0.150 4.329 4.480 -0.001 0.000 0.260 1282 M C 2.248 178.556 176.300 0.014 0.000 1.069 1282 M CA 1.719 57.045 55.300 0.043 0.000 1.117 1282 M CB -0.478 32.182 32.600 0.100 0.000 1.334 1282 M HN 0.253 nan 8.290 nan 0.000 0.407 1283 V N -0.629 119.317 119.914 0.053 0.000 2.343 1283 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 1283 V C 2.260 178.406 176.094 0.086 0.000 1.051 1283 V CA 2.298 64.618 62.300 0.034 0.000 1.036 1283 V CB -1.161 30.738 31.823 0.127 0.000 0.654 1283 V HN 0.490 nan 8.190 nan 0.000 0.451 1284 H N -0.561 118.515 119.070 0.011 0.000 2.353 1284 H HA -0.208 4.348 4.556 -0.001 0.000 0.300 1284 H C 2.324 177.653 175.328 0.002 0.000 1.090 1284 H CA 2.186 58.241 56.048 0.011 0.000 1.327 1284 H CB -0.601 29.157 29.762 -0.007 0.000 1.383 1284 H HN 0.462 nan 8.280 nan 0.000 0.508 1285 c N -0.267 118.273 118.600 -0.100 0.000 2.466 1285 c HA 0.005 4.575 4.570 -0.001 0.000 0.278 1285 c C 2.750 176.758 174.090 -0.136 0.000 1.288 1285 c CA 0.646 56.883 56.329 -0.153 0.000 1.722 1285 c CB -1.415 41.058 42.510 -0.061 0.000 2.017 1285 c HN 0.649 nan 8.230 nan 0.000 0.488 1286 L N 0.220 121.381 121.223 -0.103 0.000 2.275 1286 L HA -0.054 4.285 4.340 -0.001 0.000 0.215 1286 L C 2.926 179.787 176.870 -0.015 0.000 1.119 1286 L CA 1.144 55.934 54.840 -0.085 0.000 0.790 1286 L CB -0.579 41.357 42.059 -0.205 0.000 0.919 1286 L HN 0.366 nan 8.230 nan 0.000 0.443 1287 R N -0.533 119.958 120.500 -0.014 0.000 2.153 1287 R HA -0.093 4.247 4.340 -0.001 0.000 0.218 1287 R C 2.136 178.361 176.300 -0.126 0.000 1.072 1287 R CA 0.790 56.849 56.100 -0.069 0.000 0.990 1287 R CB -0.034 30.250 30.300 -0.027 0.000 0.889 1287 R HN 0.491 nan 8.270 nan 0.000 0.452 1288 Q N 0.308 120.004 119.800 -0.173 0.000 2.230 1288 Q HA -0.010 4.329 4.340 -0.001 0.000 0.202 1288 Q C 0.124 176.064 176.000 -0.100 0.000 0.963 1288 Q CA 0.662 56.370 55.803 -0.158 0.000 0.866 1288 Q CB 0.232 28.840 28.738 -0.216 0.000 0.931 1288 Q HN -0.014 nan 8.270 nan 0.000 0.452 1289 K N 2.138 122.482 120.400 -0.093 0.000 2.414 1289 K HA 0.025 4.345 4.320 -0.001 0.000 0.272 1289 K C 0.479 177.057 176.600 -0.036 0.000 0.993 1289 K CA 0.261 56.511 56.287 -0.062 0.000 0.964 1289 K CB 0.488 32.946 32.500 -0.071 0.000 0.925 1289 K HN 0.190 nan 8.250 nan 0.000 0.487 1290 T N -2.297 112.253 114.554 -0.007 0.000 2.816 1290 T HA 0.054 4.403 4.350 -0.001 0.000 0.282 1290 T C 1.330 176.080 174.700 0.084 0.000 0.993 1290 T CA -0.506 61.608 62.100 0.023 0.000 0.994 1290 T CB 1.071 69.951 68.868 0.020 0.000 1.025 1290 T HN 0.628 nan 8.240 nan 0.000 0.529 1291 E N 0.266 120.541 120.200 0.125 0.000 2.051 1291 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 1291 E C 1.772 178.513 176.600 0.235 0.000 0.991 1291 E CA 1.419 57.970 56.400 0.252 0.000 0.799 1291 E CB -0.160 29.608 29.700 0.115 0.000 0.748 1291 E HN 0.757 nan 8.360 nan 0.000 0.449 1292 E N 0.901 121.173 120.200 0.119 0.000 2.160 1292 E HA -0.197 4.153 4.350 -0.001 0.000 0.195 1292 E C 1.875 178.535 176.600 0.099 0.000 0.991 1292 E CA 1.446 57.903 56.400 0.095 0.000 0.810 1292 E CB -0.119 29.610 29.700 0.049 0.000 0.742 1292 E HN 0.422 nan 8.360 nan 0.000 0.466 1293 E N -0.017 120.230 120.200 0.080 0.000 2.072 1293 E HA -0.071 4.279 4.350 -0.001 0.000 0.190 1293 E C 1.970 178.600 176.600 0.051 0.000 0.982 1293 E CA 0.660 57.089 56.400 0.048 0.000 0.803 1293 E CB -0.081 29.628 29.700 0.016 0.000 0.755 1293 E HN 0.234 nan 8.360 nan 0.000 0.453 1294 L N 0.693 121.954 121.223 0.063 0.000 2.291 1294 L HA -0.123 4.217 4.340 -0.001 0.000 0.214 1294 L C 2.384 179.317 176.870 0.105 0.000 1.120 1294 L CA 0.113 54.927 54.840 -0.044 0.000 0.799 1294 L CB -0.169 41.700 42.059 -0.316 0.000 0.925 1294 L HN 0.185 nan 8.230 nan 0.000 0.446 1295 L N -0.036 121.368 121.223 0.302 0.000 2.095 1295 L HA -0.116 4.224 4.340 -0.001 0.000 0.204 1295 L C 2.324 179.306 176.870 0.186 0.000 1.080 1295 L CA 1.675 56.719 54.840 0.340 0.000 0.759 1295 L CB -0.370 41.851 42.059 0.270 0.000 0.914 1295 L HN 0.155 nan 8.230 nan 0.000 0.439 1296 E N -1.099 119.174 120.200 0.122 0.000 2.110 1296 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 1296 E C 1.900 178.540 176.600 0.066 0.000 0.988 1296 E CA 1.704 58.150 56.400 0.077 0.000 0.804 1296 E CB -0.202 29.528 29.700 0.051 0.000 0.745 1296 E HN 0.501 nan 8.360 nan 0.000 0.458 1297 T N 0.370 114.961 114.554 0.062 0.000 2.777 1297 T HA -0.123 4.227 4.350 -0.001 0.000 0.266 1297 T C 1.994 176.749 174.700 0.091 0.000 1.040 1297 T CA 1.576 63.705 62.100 0.047 0.000 1.141 1297 T CB -0.336 68.544 68.868 0.020 0.000 0.868 1297 T HN 0.183 nan 8.240 nan 0.000 0.444 1298 T N 2.651 117.303 114.554 0.163 0.000 2.684 1298 T HA 0.005 4.355 4.350 -0.001 0.000 0.267 1298 T C 1.955 176.776 174.700 0.201 0.000 1.036 1298 T CA 0.948 63.225 62.100 0.295 0.000 1.148 1298 T CB -0.469 68.609 68.868 0.351 0.000 0.863 1298 T HN 0.271 nan 8.240 nan 0.000 0.436 1299 L N 0.349 121.653 121.223 0.135 0.000 2.131 1299 L HA -0.089 4.251 4.340 -0.001 0.000 0.210 1299 L C 2.601 179.476 176.870 0.008 0.000 1.092 1299 L CA 1.345 56.231 54.840 0.077 0.000 0.759 1299 L CB -0.498 41.601 42.059 0.068 0.000 0.903 1299 L HN 0.259 nan 8.230 nan 0.000 0.435 1300 K N -0.417 119.978 120.400 -0.009 0.000 2.148 1300 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 1300 K C 2.036 178.557 176.600 -0.131 0.000 1.050 1300 K CA 0.986 57.243 56.287 -0.050 0.000 0.942 1300 K CB -0.032 32.448 32.500 -0.034 0.000 0.724 1300 K HN 0.215 nan 8.250 nan 0.000 0.446 1301 M N 0.894 120.358 119.600 -0.227 0.000 2.549 1301 M HA -0.051 4.429 4.480 -0.001 0.000 0.260 1301 M C 0.022 175.973 176.300 -0.582 0.000 1.076 1301 M CA 1.017 55.994 55.300 -0.539 0.000 1.090 1301 M CB -0.664 31.280 32.600 -1.093 0.000 1.418 1301 M HN 0.048 nan 8.290 nan 0.000 0.486 1302 K N 0.762 120.981 120.400 -0.301 0.000 3.278 1302 K HA -0.182 4.137 4.320 -0.001 0.000 0.270 1302 K C -0.590 175.932 176.600 -0.130 0.000 0.955 1302 K CA 0.158 56.354 56.287 -0.152 0.000 0.723 1302 K CB -2.053 30.379 32.500 -0.112 0.000 1.382 1302 K HN 0.186 nan 8.250 nan 0.000 0.461 1303 F N 0.304 120.277 119.950 0.039 0.000 2.440 1303 F HA 0.112 4.639 4.527 -0.001 0.000 0.323 1303 F C 2.068 177.890 175.800 0.037 0.000 1.192 1303 F CA 0.069 58.093 58.000 0.040 0.000 1.252 1303 F CB 0.383 39.416 39.000 0.056 0.000 1.214 1303 F HN 0.142 nan 8.300 nan 0.000 0.578 1304 L N 0.260 121.638 121.223 0.258 0.000 4.179 1304 L HA -0.273 4.067 4.340 -0.001 0.000 0.418 1304 L C -0.140 176.797 176.870 0.111 0.000 1.168 1304 L CA 0.447 55.377 54.840 0.150 0.000 0.972 1304 L CB -1.817 40.316 42.059 0.124 0.000 2.005 1304 L HN 0.541 nan 8.230 nan 0.000 0.935 1305 S N 0.155 115.915 115.700 0.100 0.000 2.647 1305 S HA 0.565 5.034 4.470 -0.001 0.000 0.300 1305 S C -0.373 174.257 174.600 0.051 0.000 1.129 1305 S CA -0.764 57.475 58.200 0.065 0.000 1.029 1305 S CB 1.548 64.769 63.200 0.034 0.000 1.007 1305 S HN 0.230 nan 8.310 nan 0.000 0.484 1306 L N 4.866 126.126 121.223 0.062 0.000 2.654 1306 L HA 0.240 4.580 4.340 -0.001 0.000 0.271 1306 L C -0.083 176.761 176.870 -0.043 0.000 1.169 1306 L CA 0.660 55.505 54.840 0.008 0.000 0.947 1306 L CB 0.081 42.087 42.059 -0.089 0.000 1.232 1306 L HN 0.617 nan 8.230 nan 0.000 0.486 1307 D N 4.710 125.083 120.400 -0.044 0.000 2.365 1307 D HA 0.115 4.754 4.640 -0.001 0.000 0.237 1307 D C 0.791 177.046 176.300 -0.075 0.000 1.190 1307 D CA 0.069 54.035 54.000 -0.057 0.000 0.867 1307 D CB 0.702 41.469 40.800 -0.056 0.000 1.050 1307 D HN 0.616 nan 8.370 nan 0.000 0.491 1308 L N 2.094 123.275 121.223 -0.070 0.000 2.253 1308 L HA 0.106 4.445 4.340 -0.001 0.000 0.205 1308 L C 1.422 178.265 176.870 -0.045 0.000 1.078 1308 L CA 0.260 55.061 54.840 -0.066 0.000 0.805 1308 L CB -0.040 41.981 42.059 -0.062 0.000 0.963 1308 L HN 0.368 nan 8.230 nan 0.000 0.459 1309 Q N 1.485 121.262 119.800 -0.039 0.000 2.441 1309 Q HA 0.436 4.775 4.340 -0.001 0.000 0.234 1309 Q C -0.528 175.452 176.000 -0.034 0.000 1.078 1309 Q CA 0.227 56.013 55.803 -0.028 0.000 0.907 1309 Q CB 0.742 29.466 28.738 -0.024 0.000 1.269 1309 Q HN 0.323 nan 8.270 nan 0.000 0.502 1310 G N 3.175 111.957 108.800 -0.031 0.000 2.335 1310 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.592 1310 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.592 1310 G C -1.282 173.584 174.900 -0.055 0.000 1.442 1310 G CA -0.884 44.194 45.100 -0.037 0.000 0.976 1310 G HN 0.554 nan 8.290 nan 0.000 0.652 1311 D N 1.270 121.639 120.400 -0.052 0.000 2.487 1311 D HA 0.159 4.799 4.640 -0.001 0.000 0.243 1311 D C -0.814 175.373 176.300 -0.189 0.000 1.154 1311 D CA -0.801 53.148 54.000 -0.085 0.000 0.876 1311 D CB 1.511 42.281 40.800 -0.050 0.000 1.161 1311 D HN -0.001 nan 8.370 nan 0.000 0.478 1312 P HA -0.094 nan 4.420 nan 0.000 0.216 1312 P C 1.148 178.238 177.300 -0.350 0.000 1.150 1312 P CA 1.119 63.928 63.100 -0.484 0.000 0.837 1312 P CB 0.216 31.274 31.700 -1.070 0.000 0.786 1313 R N -0.371 119.818 120.500 -0.519 0.000 2.189 1313 R HA -0.077 4.263 4.340 -0.001 0.000 0.223 1313 R C 1.890 178.142 176.300 -0.081 0.000 1.092 1313 R CA 1.030 56.891 56.100 -0.398 0.000 0.989 1313 R CB -0.344 29.655 30.300 -0.501 0.000 0.876 1313 R HN 0.376 nan 8.270 nan 0.000 0.457 1314 E N 0.041 120.189 120.200 -0.087 0.000 2.340 1314 E HA 0.071 4.421 4.350 -0.001 0.000 0.194 1314 E C -0.126 176.463 176.600 -0.018 0.000 0.996 1314 E CA -0.129 56.250 56.400 -0.035 0.000 0.869 1314 E CB 0.481 30.157 29.700 -0.040 0.000 0.835 1314 E HN 0.059 nan 8.360 nan 0.000 0.493 1315 S N 1.773 117.455 115.700 -0.031 0.000 2.563 1315 S HA -0.025 4.444 4.470 -0.001 0.000 0.294 1315 S C 0.096 174.708 174.600 0.019 0.000 1.279 1315 S CA 0.261 58.449 58.200 -0.020 0.000 1.069 1315 S CB 0.466 63.645 63.200 -0.035 0.000 0.828 1315 S HN 0.102 nan 8.310 nan 0.000 0.497 1316 Q N 4.026 123.847 119.800 0.035 0.000 2.462 1316 Q HA 0.304 4.643 4.340 -0.001 0.000 0.247 1316 Q C -1.470 174.645 176.000 0.192 0.000 1.044 1316 Q CA -2.160 53.709 55.803 0.110 0.000 0.803 1316 Q CB 1.115 29.948 28.738 0.159 0.000 1.190 1316 Q HN 0.317 nan 8.270 nan 0.000 0.507 1317 P HA -0.110 nan 4.420 nan 0.000 0.217 1317 P C -0.400 177.068 177.300 0.279 0.000 1.150 1317 P CA 0.966 64.168 63.100 0.171 0.000 0.832 1317 P CB 0.367 32.108 31.700 0.068 0.000 0.787 1318 L N -5.115 116.215 121.223 0.179 0.000 3.119 1318 L HA 0.445 4.785 4.340 -0.001 0.000 0.283 1318 L C -1.322 175.435 176.870 -0.188 0.000 1.028 1318 L CA -1.361 53.422 54.840 -0.095 0.000 0.975 1318 L CB 0.171 42.152 42.059 -0.129 0.000 1.543 1318 L HN -0.339 nan 8.230 nan 0.000 0.390 1319 L N 0.601 121.608 121.223 -0.359 0.000 2.282 1319 L HA 0.915 5.254 4.340 -0.001 0.000 0.288 1319 L C 0.522 177.231 176.870 -0.269 0.000 1.033 1319 L CA 0.008 54.733 54.840 -0.192 0.000 0.807 1319 L CB 0.975 42.970 42.059 -0.106 0.000 1.209 1319 L HN 1.000 nan 8.230 nan 0.000 0.423 1320 G N 1.229 109.880 108.800 -0.249 0.000 3.166 1320 G HA2 0.409 4.369 3.960 -0.001 0.000 0.267 1320 G HA3 0.409 4.369 3.960 -0.001 0.000 0.267 1320 G C -0.813 173.952 174.900 -0.225 0.000 1.256 1320 G CA -0.440 44.383 45.100 -0.462 0.000 0.859 1320 G HN 0.349 nan 8.290 nan 0.000 0.590 1321 T N 0.766 115.232 114.554 -0.146 0.000 2.902 1321 T HA 0.401 4.750 4.350 -0.001 0.000 0.301 1321 T C 0.583 175.270 174.700 -0.022 0.000 1.012 1321 T CA 0.314 62.462 62.100 0.080 0.000 1.151 1321 T CB 0.616 69.500 68.868 0.025 0.000 0.946 1321 T HN 1.071 nan 8.240 nan 0.000 0.542 1322 V N 0.771 120.676 119.914 -0.016 0.000 3.158 1322 V HA 0.631 4.751 4.120 -0.001 0.000 0.315 1322 V C -0.368 175.668 176.094 -0.097 0.000 1.148 1322 V CA -1.315 60.940 62.300 -0.075 0.000 1.042 1322 V CB 1.658 33.424 31.823 -0.095 0.000 1.101 1322 V HN 0.576 nan 8.190 nan 0.000 0.448 1323 I N 3.394 123.903 120.570 -0.101 0.000 2.257 1323 I HA 0.259 4.429 4.170 -0.001 0.000 0.290 1323 I C 0.890 176.944 176.117 -0.104 0.000 1.137 1323 I CA -0.076 61.162 61.300 -0.103 0.000 1.255 1323 I CB -0.231 37.714 38.000 -0.092 0.000 1.485 1323 I HN 0.948 nan 8.210 nan 0.000 0.534 1324 D N 3.289 123.619 120.400 -0.117 0.000 2.317 1324 D HA -0.050 4.590 4.640 -0.001 0.000 0.211 1324 D C 1.423 177.668 176.300 -0.092 0.000 0.966 1324 D CA 0.929 54.855 54.000 -0.122 0.000 0.876 1324 D CB 0.309 41.008 40.800 -0.169 0.000 0.927 1324 D HN 0.646 nan 8.370 nan 0.000 0.519 1325 G N -0.146 108.604 108.800 -0.084 0.000 2.159 1325 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.256 1325 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.256 1325 G C 0.820 175.688 174.900 -0.054 0.000 0.977 1325 G CA 0.738 45.798 45.100 -0.066 0.000 0.652 1325 G HN 0.284 nan 8.290 nan 0.000 0.531 1326 M N -1.743 117.822 119.600 -0.058 0.000 2.979 1326 M HA 0.430 4.910 4.480 -0.001 0.000 0.221 1326 M C 2.187 178.463 176.300 -0.041 0.000 1.769 1326 M CA 0.953 56.233 55.300 -0.034 0.000 1.260 1326 M CB -1.074 31.516 32.600 -0.017 0.000 1.227 1326 M HN 0.217 nan 8.290 nan 0.000 0.587 1327 L N 0.713 121.899 121.223 -0.061 0.000 2.034 1327 L HA 0.170 4.510 4.340 -0.001 0.000 0.203 1327 L C 0.312 177.117 176.870 -0.108 0.000 1.074 1327 L CA 1.284 56.081 54.840 -0.072 0.000 0.748 1327 L CB 0.190 42.196 42.059 -0.089 0.000 0.905 1327 L HN 0.109 nan 8.230 nan 0.000 0.439 1328 L N 0.560 121.708 121.223 -0.124 0.000 2.298 1328 L HA 0.222 4.562 4.340 -0.001 0.000 0.284 1328 L C 0.566 177.366 176.870 -0.116 0.000 1.013 1328 L CA -0.355 54.403 54.840 -0.136 0.000 0.824 1328 L CB 1.686 43.655 42.059 -0.150 0.000 1.221 1328 L HN 0.221 nan 8.230 nan 0.000 0.418 1329 L N 2.996 124.148 121.223 -0.118 0.000 2.313 1329 L HA 0.014 4.354 4.340 -0.001 0.000 0.214 1329 L C 0.769 177.585 176.870 -0.091 0.000 1.119 1329 L CA 1.022 55.802 54.840 -0.099 0.000 0.809 1329 L CB -0.354 41.644 42.059 -0.102 0.000 0.933 1329 L HN 0.661 nan 8.230 nan 0.000 0.449 1330 K N -1.746 118.593 120.400 -0.100 0.000 2.499 1330 K HA 0.335 4.655 4.320 -0.001 0.000 0.284 1330 K C -0.522 176.021 176.600 -0.094 0.000 1.039 1330 K CA -0.758 55.476 56.287 -0.088 0.000 0.873 1330 K CB 0.609 33.062 32.500 -0.077 0.000 1.545 1330 K HN -0.163 nan 8.250 nan 0.000 0.402 1331 T N -1.609 112.894 114.554 -0.084 0.000 2.903 1331 T HA 0.103 4.453 4.350 -0.001 0.000 0.314 1331 T C -1.910 172.738 174.700 -0.086 0.000 1.078 1331 T CA -0.857 61.191 62.100 -0.088 0.000 1.114 1331 T CB 0.429 69.249 68.868 -0.081 0.000 0.987 1331 T HN 0.290 nan 8.240 nan 0.000 0.548 1332 P HA -0.096 nan 4.420 nan 0.000 0.216 1332 P C 1.346 178.613 177.300 -0.055 0.000 1.153 1332 P CA 1.065 64.120 63.100 -0.076 0.000 0.858 1332 P CB 0.043 31.693 31.700 -0.083 0.000 0.789 1333 E N -0.164 120.000 120.200 -0.059 0.000 2.085 1333 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 1333 E C 1.911 178.491 176.600 -0.034 0.000 0.994 1333 E CA 1.382 57.755 56.400 -0.044 0.000 0.801 1333 E CB -0.775 28.892 29.700 -0.056 0.000 0.743 1333 E HN 0.452 nan 8.360 nan 0.000 0.453 1334 E N 0.073 120.247 120.200 -0.044 0.000 2.076 1334 E HA -0.052 4.298 4.350 -0.001 0.000 0.190 1334 E C 2.150 178.726 176.600 -0.041 0.000 0.979 1334 E CA 0.469 56.845 56.400 -0.040 0.000 0.807 1334 E CB -0.089 29.583 29.700 -0.048 0.000 0.761 1334 E HN 0.175 nan 8.360 nan 0.000 0.454 1335 L N 1.417 122.606 121.223 -0.057 0.000 2.012 1335 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 1335 L C 2.765 179.616 176.870 -0.031 0.000 1.073 1335 L CA 1.595 56.393 54.840 -0.070 0.000 0.748 1335 L CB -0.554 41.444 42.059 -0.100 0.000 0.891 1335 L HN 0.233 nan 8.230 nan 0.000 0.431 1336 Q N -0.286 119.512 119.800 -0.003 0.000 2.488 1336 Q HA -0.064 4.276 4.340 -0.001 0.000 0.211 1336 Q C 1.882 177.905 176.000 0.037 0.000 0.967 1336 Q CA 0.985 56.812 55.803 0.040 0.000 0.926 1336 Q CB -0.128 28.646 28.738 0.060 0.000 0.992 1336 Q HN 0.431 nan 8.270 nan 0.000 0.506 1337 A N 1.547 124.375 122.820 0.014 0.000 2.021 1337 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 1337 A C 0.948 178.542 177.584 0.017 0.000 1.163 1337 A CA 0.571 52.617 52.037 0.015 0.000 0.676 1337 A CB -0.243 18.759 19.000 0.003 0.000 0.818 1337 A HN 0.673 nan 8.150 nan 0.000 0.453 1338 E N -1.244 118.964 120.200 0.013 0.000 2.392 1338 E HA 0.426 4.776 4.350 -0.001 0.000 0.256 1338 E C -0.109 176.517 176.600 0.044 0.000 1.145 1338 E CA -0.299 56.114 56.400 0.021 0.000 0.929 1338 E CB 0.399 30.103 29.700 0.008 0.000 0.998 1338 E HN 0.045 nan 8.360 nan 0.000 0.442 1339 R N 0.449 120.979 120.500 0.049 0.000 2.592 1339 R HA 0.254 4.593 4.340 -0.001 0.000 0.439 1339 R C -0.914 175.426 176.300 0.068 0.000 0.995 1339 R CA -0.256 55.877 56.100 0.054 0.000 1.141 1339 R CB 0.182 30.500 30.300 0.031 0.000 1.495 1339 R HN 0.523 nan 8.270 nan 0.000 0.579 1340 N N -0.099 118.659 118.700 0.097 0.000 2.610 1340 N HA 0.212 4.952 4.740 -0.001 0.000 0.309 1340 N C -1.465 174.171 175.510 0.210 0.000 1.536 1340 N CA -0.136 52.978 53.050 0.106 0.000 0.954 1340 N CB 0.496 39.028 38.487 0.075 0.000 1.310 1340 N HN -0.005 nan 8.380 nan 0.000 0.502 1341 F N -0.180 119.780 119.950 0.016 0.000 2.629 1341 F HA 0.343 4.869 4.527 -0.001 0.000 0.316 1341 F C 0.053 175.898 175.800 0.075 0.000 1.081 1341 F CA -1.372 56.651 58.000 0.037 0.000 0.954 1341 F CB 1.240 40.261 39.000 0.035 0.000 1.337 1341 F HN 0.084 nan 8.300 nan 0.000 0.474 1342 H N 2.120 120.575 119.070 -1.024 0.000 3.107 1342 H HA 0.265 4.821 4.556 -0.001 0.000 0.301 1342 H C -0.364 174.709 175.328 -0.426 0.000 0.981 1342 H CA 0.424 56.033 56.048 -0.731 0.000 1.443 1342 H CB 0.474 29.677 29.762 -0.932 0.000 1.479 1342 H HN 0.684 nan 8.280 nan 0.000 0.564 1343 T N 2.311 116.871 114.554 0.011 0.000 2.925 1343 T HA 0.547 4.897 4.350 -0.001 0.000 0.285 1343 T C -0.076 174.592 174.700 -0.053 0.000 1.021 1343 T CA -0.419 61.667 62.100 -0.022 0.000 1.042 1343 T CB 1.761 70.615 68.868 -0.024 0.000 1.037 1343 T HN 0.470 nan 8.240 nan 0.000 0.481 1344 V N -2.054 117.885 119.914 0.041 0.000 3.147 1344 V HA 0.742 4.861 4.120 -0.001 0.000 0.306 1344 V C -3.316 172.929 176.094 0.252 0.000 1.209 1344 V CA -3.175 59.142 62.300 0.029 0.000 1.023 1344 V CB 1.449 33.172 31.823 -0.167 0.000 1.059 1344 V HN 0.697 nan 8.190 nan 0.000 0.435 1345 P HA 0.169 nan 4.420 nan 0.000 0.262 1345 P C -1.448 176.153 177.300 0.502 0.000 1.199 1345 P CA 0.715 64.014 63.100 0.330 0.000 0.763 1345 P CB -0.261 31.441 31.700 0.002 0.000 0.790 1346 Y N 4.084 124.574 120.300 0.318 0.000 2.350 1346 Y HA 0.530 5.080 4.550 -0.000 0.000 0.338 1346 Y C -0.475 175.443 175.900 0.030 0.000 0.961 1346 Y CA -1.526 56.590 58.100 0.027 0.000 1.100 1346 Y CB 1.414 39.446 38.460 -0.714 0.000 1.179 1346 Y HN 0.203 nan 8.280 nan 0.000 0.454 1347 M N 7.791 127.431 119.600 0.067 0.000 2.167 1347 M HA 0.549 5.028 4.480 -0.001 0.000 0.333 1347 M C -2.208 173.863 176.300 -0.381 0.000 1.030 1347 M CA -0.683 54.412 55.300 -0.342 0.000 0.963 1347 M CB 0.974 33.091 32.600 -0.806 0.000 1.589 1347 M HN 0.435 nan 8.290 nan 0.000 0.431 1348 V N 4.477 124.118 119.914 -0.456 0.000 2.487 1348 V HA 0.903 5.022 4.120 -0.001 0.000 0.298 1348 V C 0.225 176.011 176.094 -0.514 0.000 1.028 1348 V CA -0.552 61.456 62.300 -0.486 0.000 0.860 1348 V CB 1.559 33.013 31.823 -0.615 0.000 0.991 1348 V HN 1.010 nan 8.190 nan 0.000 0.427 1349 G N 3.756 112.165 108.800 -0.652 0.000 2.694 1349 G HA2 0.908 4.867 3.960 -0.001 0.000 0.290 1349 G HA3 0.908 4.867 3.960 -0.001 0.000 0.290 1349 G C -1.289 173.257 174.900 -0.590 0.000 1.386 1349 G CA -0.650 43.659 45.100 -1.319 0.000 0.872 1349 G HN 0.971 nan 8.290 nan 0.000 0.475 1350 I N -2.689 117.655 120.570 -0.378 0.000 3.191 1350 I HA 0.578 4.747 4.170 -0.001 0.000 0.313 1350 I C -1.133 175.104 176.117 0.200 0.000 1.193 1350 I CA -1.342 59.953 61.300 -0.008 0.000 0.968 1350 I CB 2.337 40.342 38.000 0.008 0.000 1.262 1350 I HN 0.453 nan 8.210 nan 0.000 0.456 1351 N N 1.485 120.310 118.700 0.208 0.000 2.489 1351 N HA 0.240 4.980 4.740 -0.001 0.000 0.284 1351 N C 0.149 175.790 175.510 0.218 0.000 1.158 1351 N CA -0.801 52.428 53.050 0.297 0.000 0.965 1351 N CB 1.841 40.494 38.487 0.276 0.000 1.195 1351 N HN 0.528 nan 8.380 nan 0.000 0.506 1352 K N 0.776 121.308 120.400 0.220 0.000 2.032 1352 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 1352 K C 0.084 176.778 176.600 0.156 0.000 1.048 1352 K CA 1.834 58.220 56.287 0.164 0.000 0.927 1352 K CB 0.136 32.715 32.500 0.132 0.000 0.712 1352 K HN 0.520 nan 8.250 nan 0.000 0.441 1353 Q N 0.389 120.290 119.800 0.168 0.000 2.849 1353 Q HA 0.125 4.465 4.340 -0.001 0.000 0.289 1353 Q C -0.309 175.797 176.000 0.176 0.000 1.012 1353 Q CA -0.285 55.621 55.803 0.172 0.000 0.899 1353 Q CB 1.437 30.274 28.738 0.165 0.000 1.235 1353 Q HN 0.161 nan 8.270 nan 0.000 0.457 1354 E N 0.101 120.387 120.200 0.145 0.000 2.273 1354 E HA -0.178 4.172 4.350 -0.001 0.000 0.198 1354 E C 0.313 176.982 176.600 0.114 0.000 1.002 1354 E CA 1.181 57.607 56.400 0.044 0.000 0.828 1354 E CB 0.198 29.792 29.700 -0.177 0.000 0.747 1354 E HN 0.460 nan 8.360 nan 0.000 0.491 1355 F N -0.400 119.562 119.950 0.020 0.000 2.814 1355 F HA 0.323 4.849 4.527 -0.001 0.000 0.326 1355 F C 1.607 177.429 175.800 0.036 0.000 1.159 1355 F CA -0.215 57.779 58.000 -0.010 0.000 1.234 1355 F CB 0.690 39.658 39.000 -0.053 0.000 1.016 1355 F HN -0.100 nan 8.300 nan 0.000 0.510 1356 G N 0.263 109.138 108.800 0.124 0.000 2.402 1356 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.216 1356 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.216 1356 G C 1.027 176.031 174.900 0.173 0.000 1.162 1356 G CA 1.417 46.611 45.100 0.157 0.000 0.777 1356 G HN 0.603 nan 8.290 nan 0.000 0.539 1357 W N -1.268 119.980 121.300 -0.086 0.000 5.371 1357 W HA 0.317 4.977 4.660 -0.000 0.000 0.169 1357 W C 1.841 178.288 176.519 -0.118 0.000 1.184 1357 W CA 0.112 57.405 57.345 -0.086 0.000 1.946 1357 W CB -0.595 28.861 29.460 -0.005 0.000 0.602 1357 W HN 0.020 nan 8.180 nan 0.000 1.086 1358 L N 1.867 122.970 121.223 -0.201 0.000 1.965 1358 L HA -0.267 4.073 4.340 -0.001 0.000 0.226 1358 L C 2.253 178.819 176.870 -0.507 0.000 1.083 1358 L CA 3.254 57.824 54.840 -0.450 0.000 0.790 1358 L CB -1.005 41.099 42.059 0.076 0.000 0.898 1358 L HN 0.195 nan 8.230 nan 0.000 0.439 1359 I N -0.791 119.551 120.570 -0.380 0.000 2.127 1359 I HA -0.231 3.938 4.170 -0.001 0.000 0.241 1359 I C -0.377 175.416 176.117 -0.540 0.000 1.075 1359 I CA 1.445 62.512 61.300 -0.389 0.000 1.334 1359 I CB -1.710 36.099 38.000 -0.317 0.000 1.040 1359 I HN 0.292 nan 8.210 nan 0.000 0.405 1360 P HA -0.173 nan 4.420 nan 0.000 0.217 1360 P C 1.069 178.180 177.300 -0.316 0.000 1.148 1360 P CA 1.220 63.891 63.100 -0.716 0.000 0.828 1360 P CB -0.011 31.196 31.700 -0.822 0.000 0.783 1364 M N 0.039 119.633 119.600 -0.010 0.000 2.495 1364 M HA 0.201 4.680 4.480 -0.001 0.000 0.237 1364 M C 0.292 176.662 176.300 0.117 0.000 1.131 1364 M CA 0.245 55.601 55.300 0.095 0.000 1.032 1364 M CB 0.408 33.132 32.600 0.206 0.000 1.513 1364 M HN 0.228 nan 8.290 nan 0.000 0.488 1365 S N 0.327 116.072 115.700 0.075 0.000 3.791 1365 S HA -0.169 4.301 4.470 -0.001 0.000 0.393 1365 S C -0.505 174.168 174.600 0.121 0.000 0.936 1365 S CA 0.138 58.380 58.200 0.070 0.000 1.234 1365 S CB -1.963 61.257 63.200 0.034 0.000 0.891 1365 S HN 0.444 nan 8.310 nan 0.000 0.519 1366 Y N 1.366 121.675 120.300 0.016 0.000 2.425 1366 Y HA 0.306 4.855 4.550 -0.001 0.000 0.331 1366 Y C -1.776 174.169 175.900 0.075 0.000 1.157 1366 Y CA -1.371 56.776 58.100 0.079 0.000 1.372 1366 Y CB 0.399 38.935 38.460 0.128 0.000 1.253 1366 Y HN 0.096 nan 8.280 nan 0.000 0.536 1367 P HA 0.129 nan 4.420 nan 0.000 0.244 1367 P C -0.531 176.840 177.300 0.118 0.000 1.723 1367 P CA 0.705 63.837 63.100 0.053 0.000 1.110 1367 P CB -0.277 31.410 31.700 -0.022 0.000 1.972 1368 L N 0.604 121.918 121.223 0.153 0.000 3.347 1368 L HA 0.113 4.453 4.340 -0.001 0.000 0.306 1368 L C 1.250 178.192 176.870 0.120 0.000 1.301 1368 L CA 0.043 54.977 54.840 0.156 0.000 0.985 1368 L CB 0.269 42.463 42.059 0.225 0.000 1.400 1368 L HN 0.122 nan 8.230 nan 0.000 0.601 1369 S N -2.020 113.735 115.700 0.092 0.000 2.660 1369 S HA 0.026 4.496 4.470 -0.001 0.000 0.228 1369 S C 1.218 175.857 174.600 0.065 0.000 0.966 1369 S CA 0.262 58.509 58.200 0.077 0.000 0.940 1369 S CB 0.034 63.270 63.200 0.061 0.000 0.773 1369 S HN 0.370 nan 8.310 nan 0.000 0.535 1370 E N 1.291 121.530 120.200 0.065 0.000 2.079 1370 E HA 0.224 4.574 4.350 -0.001 0.000 0.191 1370 E C 1.773 178.407 176.600 0.057 0.000 0.961 1370 E CA 0.988 57.419 56.400 0.052 0.000 0.823 1370 E CB -0.615 29.110 29.700 0.042 0.000 0.789 1370 E HN 0.629 nan 8.360 nan 0.000 0.459 1371 G N 1.361 110.204 108.800 0.072 0.000 2.218 1371 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.216 1371 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.216 1371 G C 0.324 175.266 174.900 0.071 0.000 0.994 1371 G CA 0.531 45.676 45.100 0.075 0.000 0.637 1371 G HN 0.286 nan 8.290 nan 0.000 0.505 1372 Q N -0.341 119.495 119.800 0.059 0.000 2.605 1372 Q HA 0.908 5.247 4.340 -0.001 0.000 0.296 1372 Q C -1.810 174.210 176.000 0.033 0.000 1.056 1372 Q CA -1.153 54.680 55.803 0.050 0.000 0.778 1372 Q CB 2.071 30.831 28.738 0.037 0.000 1.497 1372 Q HN 0.924 nan 8.270 nan 0.000 0.443 1373 L N 1.427 122.662 121.223 0.020 0.000 2.591 1373 L HA 0.431 4.770 4.340 -0.001 0.000 0.257 1373 L C -1.985 174.876 176.870 -0.014 0.000 0.935 1373 L CA -0.137 54.690 54.840 -0.021 0.000 0.873 1373 L CB 2.115 44.131 42.059 -0.073 0.000 1.397 1373 L HN 0.922 nan 8.230 nan 0.000 0.414 1374 D N 2.949 123.333 120.400 -0.027 0.000 2.299 1374 D HA 0.245 4.885 4.640 -0.001 0.000 0.243 1374 D C 0.018 176.309 176.300 -0.015 0.000 0.982 1374 D CA -0.534 53.461 54.000 -0.009 0.000 0.924 1374 D CB 1.438 42.236 40.800 -0.003 0.000 1.238 1374 D HN 0.485 nan 8.370 nan 0.000 0.484 1375 Q N 1.093 120.898 119.800 0.009 0.000 2.065 1375 Q HA -0.250 4.089 4.340 -0.001 0.000 0.213 1375 Q C 1.809 177.815 176.000 0.010 0.000 1.012 1375 Q CA 2.010 57.825 55.803 0.021 0.000 0.876 1375 Q CB -0.382 28.372 28.738 0.027 0.000 0.954 1375 Q HN 0.595 nan 8.270 nan 0.000 0.413 1376 K N -0.347 120.056 120.400 0.005 0.000 2.020 1376 K HA -0.124 4.195 4.320 -0.001 0.000 0.212 1376 K C 2.272 178.869 176.600 -0.005 0.000 1.050 1376 K CA 1.833 58.122 56.287 0.003 0.000 0.929 1376 K CB -0.382 32.119 32.500 0.002 0.000 0.714 1376 K HN 0.214 nan 8.250 nan 0.000 0.443 1377 T N 1.200 115.740 114.554 -0.024 0.000 2.788 1377 T HA -0.125 4.225 4.350 -0.001 0.000 0.268 1377 T C 2.026 176.673 174.700 -0.089 0.000 1.044 1377 T CA 1.242 63.317 62.100 -0.043 0.000 1.139 1377 T CB -0.303 68.531 68.868 -0.055 0.000 0.867 1377 T HN 0.359 nan 8.240 nan 0.000 0.454 1378 A N 1.751 124.491 122.820 -0.133 0.000 1.917 1378 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 1378 A C 2.297 179.864 177.584 -0.027 0.000 1.182 1378 A CA 1.715 53.603 52.037 -0.248 0.000 0.633 1378 A CB -0.750 18.169 19.000 -0.134 0.000 0.819 1378 A HN 0.484 nan 8.150 nan 0.000 0.448 1379 M N -0.707 118.927 119.600 0.056 0.000 2.460 1379 M HA -0.092 4.387 4.480 -0.001 0.000 0.263 1379 M C 2.389 178.786 176.300 0.162 0.000 1.071 1379 M CA 1.346 56.723 55.300 0.127 0.000 1.096 1379 M CB -0.236 32.410 32.600 0.077 0.000 1.408 1379 M HN 0.581 nan 8.290 nan 0.000 0.463 1380 S N 0.954 116.720 115.700 0.112 0.000 2.348 1380 S HA -0.026 4.444 4.470 -0.001 0.000 0.219 1380 S C 1.784 176.503 174.600 0.198 0.000 1.033 1380 S CA 0.798 59.087 58.200 0.148 0.000 0.974 1380 S CB -0.101 63.143 63.200 0.072 0.000 0.868 1380 S HN 0.430 nan 8.310 nan 0.000 0.459 1381 L N 0.902 122.201 121.223 0.128 0.000 2.046 1381 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 1381 L C 2.508 179.614 176.870 0.394 0.000 1.077 1381 L CA 0.902 55.860 54.840 0.197 0.000 0.747 1381 L CB -0.477 41.669 42.059 0.145 0.000 0.896 1381 L HN 0.360 nan 8.230 nan 0.000 0.432 1382 L N -0.674 120.853 121.223 0.507 0.000 2.127 1382 L HA -0.285 4.055 4.340 -0.001 0.000 0.211 1382 L C 2.123 179.250 176.870 0.429 0.000 1.089 1382 L CA 1.847 56.977 54.840 0.484 0.000 0.757 1382 L CB -0.636 41.704 42.059 0.468 0.000 0.899 1382 L HN 0.370 nan 8.230 nan 0.000 0.434 1383 W N 0.036 121.449 121.300 0.189 0.000 2.408 1383 W HA -0.181 4.478 4.660 -0.001 0.000 0.311 1383 W C 2.106 178.723 176.519 0.165 0.000 1.190 1383 W CA 0.526 57.970 57.345 0.165 0.000 1.321 1383 W CB 0.092 29.612 29.460 0.101 0.000 1.143 1383 W HN -0.017 nan 8.180 nan 0.000 0.501 1384 K N 0.706 121.143 120.400 0.062 0.000 2.211 1384 K HA -0.113 4.207 4.320 -0.001 0.000 0.204 1384 K C 1.657 178.219 176.600 -0.062 0.000 1.047 1384 K CA 1.337 57.561 56.287 -0.105 0.000 0.935 1384 K CB -0.793 31.681 32.500 -0.043 0.000 0.728 1384 K HN 0.050 nan 8.250 nan 0.000 0.452 1385 S N 0.767 116.506 115.700 0.066 0.000 2.701 1385 S HA -0.024 4.446 4.470 -0.001 0.000 0.220 1385 S C 1.208 175.818 174.600 0.017 0.000 0.954 1385 S CA -0.300 57.958 58.200 0.097 0.000 0.936 1385 S CB -0.344 62.976 63.200 0.199 0.000 0.777 1385 S HN 0.292 nan 8.310 nan 0.000 0.518 1386 Y N 4.041 124.251 120.300 -0.150 0.000 2.139 1386 Y HA -0.174 4.376 4.550 -0.001 0.000 0.282 1386 Y C -0.755 175.063 175.900 -0.135 0.000 1.179 1386 Y CA 1.823 59.814 58.100 -0.182 0.000 1.161 1386 Y CB -1.177 36.994 38.460 -0.482 0.000 0.970 1386 Y HN 0.258 nan 8.280 nan 0.000 0.511 1387 P HA -0.173 nan 4.420 nan 0.000 0.222 1387 P C 1.360 178.541 177.300 -0.198 0.000 1.147 1387 P CA 1.711 64.724 63.100 -0.146 0.000 0.790 1387 P CB -0.048 31.636 31.700 -0.026 0.000 0.780 1388 L N -0.882 120.236 121.223 -0.175 0.000 2.286 1388 L HA 0.006 4.345 4.340 -0.001 0.000 0.203 1388 L C 2.654 179.353 176.870 -0.285 0.000 1.068 1388 L CA 0.739 55.465 54.840 -0.191 0.000 0.811 1388 L CB -0.475 41.516 42.059 -0.114 0.000 0.989 1388 L HN -0.144 nan 8.230 nan 0.000 0.467 1389 V N -5.293 114.451 119.914 -0.283 0.000 2.795 1389 V HA 0.080 4.200 4.120 -0.001 0.000 0.243 1389 V C 1.243 177.170 176.094 -0.278 0.000 1.069 1389 V CA -0.157 61.976 62.300 -0.277 0.000 1.089 1389 V CB 0.025 31.722 31.823 -0.209 0.000 0.756 1389 V HN 0.499 nan 8.190 nan 0.000 0.471 1390 C N 1.046 120.066 119.300 -0.467 0.000 4.545 1390 C HA -0.132 4.327 4.460 -0.001 0.000 0.300 1390 C C 0.396 175.349 174.990 -0.062 0.000 1.337 1390 C CA -0.093 58.489 59.018 -0.727 0.000 2.032 1390 C CB -2.964 24.431 27.740 -0.574 0.000 1.236 1390 C HN 0.652 nan 8.230 nan 0.000 0.774 1391 I N 1.436 122.146 120.570 0.234 0.000 2.304 1391 I HA 0.463 4.633 4.170 -0.001 0.000 0.291 1391 I C 1.038 177.532 176.117 0.629 0.000 1.018 1391 I CA 0.118 61.703 61.300 0.474 0.000 1.260 1391 I CB 1.073 39.315 38.000 0.403 0.000 1.390 1391 I HN 0.513 nan 8.210 nan 0.000 0.475 1392 A N 6.123 129.258 122.820 0.525 0.000 2.561 1392 A HA -0.034 4.286 4.320 -0.001 0.000 0.234 1392 A C 1.462 179.170 177.584 0.207 0.000 1.055 1392 A CA 0.059 52.347 52.037 0.419 0.000 0.756 1392 A CB 0.105 19.253 19.000 0.248 0.000 0.986 1392 A HN 0.917 nan 8.150 nan 0.000 0.505 1393 K N 0.877 121.178 120.400 -0.165 0.000 2.442 1393 K HA -0.178 4.141 4.320 -0.001 0.000 0.199 1393 K C 1.439 177.862 176.600 -0.294 0.000 1.044 1393 K CA 1.850 57.739 56.287 -0.663 0.000 0.941 1393 K CB -0.007 31.588 32.500 -1.508 0.000 0.759 1393 K HN 0.910 nan 8.250 nan 0.000 0.472 1394 E N -0.289 119.832 120.200 -0.130 0.000 2.447 1394 E HA -0.071 4.279 4.350 -0.001 0.000 0.195 1394 E C 1.450 178.041 176.600 -0.014 0.000 1.028 1394 E CA 0.246 56.603 56.400 -0.071 0.000 0.876 1394 E CB 0.124 29.799 29.700 -0.042 0.000 0.885 1394 E HN 0.307 nan 8.360 nan 0.000 0.500 1395 L N 0.402 121.645 121.223 0.035 0.000 2.609 1395 L HA 0.114 4.453 4.340 -0.001 0.000 0.230 1395 L C 2.085 179.004 176.870 0.082 0.000 1.087 1395 L CA -0.296 54.578 54.840 0.055 0.000 0.874 1395 L CB -0.044 42.069 42.059 0.090 0.000 1.114 1395 L HN 0.068 nan 8.230 nan 0.000 0.488 1396 I N 1.266 121.896 120.570 0.100 0.000 2.113 1396 I HA -0.225 3.945 4.170 -0.001 0.000 0.242 1396 I C 0.024 176.206 176.117 0.109 0.000 1.064 1396 I CA 2.193 63.576 61.300 0.140 0.000 1.320 1396 I CB -2.322 35.750 38.000 0.121 0.000 1.028 1396 I HN 0.149 nan 8.210 nan 0.000 0.406 1397 P HA -0.206 nan 4.420 nan 0.000 0.214 1397 P C 1.766 179.106 177.300 0.066 0.000 1.163 1397 P CA 1.669 64.798 63.100 0.049 0.000 0.889 1397 P CB -0.070 31.640 31.700 0.015 0.000 0.790 1398 E N -0.666 119.571 120.200 0.061 0.000 2.077 1398 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 1398 E C 1.890 178.574 176.600 0.139 0.000 0.989 1398 E CA 1.246 57.693 56.400 0.078 0.000 0.800 1398 E CB -0.466 29.262 29.700 0.047 0.000 0.746 1398 E HN 0.063 nan 8.360 nan 0.000 0.452 1399 A N 0.379 123.283 122.820 0.141 0.000 1.845 1399 A HA -0.169 4.151 4.320 -0.001 0.000 0.215 1399 A C 2.421 180.098 177.584 0.156 0.000 1.195 1399 A CA 2.154 54.292 52.037 0.168 0.000 0.616 1399 A CB -1.158 17.956 19.000 0.190 0.000 0.832 1399 A HN 0.349 nan 8.150 nan 0.000 0.443 1400 T N -0.221 114.434 114.554 0.169 0.000 2.737 1400 T HA -0.187 4.162 4.350 -0.001 0.000 0.269 1400 T C 1.852 176.649 174.700 0.162 0.000 1.040 1400 T CA 1.878 64.093 62.100 0.191 0.000 1.142 1400 T CB -0.256 68.722 68.868 0.182 0.000 0.861 1400 T HN 0.610 nan 8.240 nan 0.000 0.456 1401 E N 1.495 121.760 120.200 0.109 0.000 2.047 1401 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 1401 E C 2.049 178.668 176.600 0.032 0.000 0.987 1401 E CA 1.206 57.646 56.400 0.066 0.000 0.799 1401 E CB -0.297 29.429 29.700 0.043 0.000 0.752 1401 E HN 0.222 nan 8.360 nan 0.000 0.449 1402 K N -1.084 119.309 120.400 -0.011 0.000 2.362 1402 K HA -0.161 4.159 4.320 -0.001 0.000 0.202 1402 K C 1.082 177.578 176.600 -0.173 0.000 1.045 1402 K CA 1.322 57.482 56.287 -0.212 0.000 0.936 1402 K CB -0.311 31.805 32.500 -0.640 0.000 0.747 1402 K HN 0.282 nan 8.250 nan 0.000 0.467 1403 Y N -1.345 118.865 120.300 -0.149 0.000 2.594 1403 Y HA 0.251 4.801 4.550 -0.000 0.000 0.283 1403 Y C 1.364 177.266 175.900 0.004 0.000 1.140 1403 Y CA 0.345 58.408 58.100 -0.062 0.000 1.261 1403 Y CB 0.447 38.923 38.460 0.027 0.000 1.358 1403 Y HN -0.142 nan 8.280 nan 0.000 0.513 1404 L N -1.136 120.205 121.223 0.197 0.000 2.607 1404 L HA 0.271 4.611 4.340 -0.001 0.000 0.228 1404 L C 1.981 178.891 176.870 0.068 0.000 1.123 1404 L CA 0.665 55.586 54.840 0.134 0.000 0.890 1404 L CB -0.427 41.723 42.059 0.152 0.000 1.103 1404 L HN 0.225 nan 8.230 nan 0.000 0.468 1405 G N 0.236 109.060 108.800 0.040 0.000 2.776 1405 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.209 1405 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.209 1405 G C 1.365 176.264 174.900 -0.002 0.000 1.145 1405 G CA 0.602 45.711 45.100 0.014 0.000 0.791 1405 G HN 0.432 nan 8.290 nan 0.000 0.530 1406 G N 0.356 109.154 108.800 -0.005 0.000 2.456 1406 G HA2 0.173 4.132 3.960 -0.001 0.000 0.213 1406 G HA3 0.173 4.132 3.960 -0.001 0.000 0.213 1406 G C 1.063 175.963 174.900 0.000 0.000 1.215 1406 G CA 1.286 46.377 45.100 -0.014 0.000 0.805 1406 G HN 0.607 nan 8.290 nan 0.000 0.537 1407 T N -2.442 112.120 114.554 0.013 0.000 2.948 1407 T HA 0.497 4.847 4.350 -0.001 0.000 0.285 1407 T C 0.078 174.791 174.700 0.022 0.000 1.019 1407 T CA -0.498 61.612 62.100 0.017 0.000 1.013 1407 T CB 2.180 71.061 68.868 0.023 0.000 1.117 1407 T HN -0.025 nan 8.240 nan 0.000 0.533 1408 D N -0.446 119.965 120.400 0.019 0.000 2.367 1408 D HA 0.058 4.698 4.640 -0.001 0.000 0.207 1408 D C 0.088 176.402 176.300 0.023 0.000 1.034 1408 D CA 0.094 54.106 54.000 0.019 0.000 0.861 1408 D CB 0.152 40.960 40.800 0.014 0.000 0.943 1408 D HN 0.598 nan 8.370 nan 0.000 0.515 1409 D N 1.578 121.994 120.400 0.026 0.000 2.434 1409 D HA -0.049 4.591 4.640 -0.001 0.000 0.252 1409 D C 1.536 177.858 176.300 0.038 0.000 1.185 1409 D CA 0.309 54.327 54.000 0.030 0.000 0.886 1409 D CB 1.297 42.116 40.800 0.032 0.000 1.148 1409 D HN 0.038 nan 8.370 nan 0.000 0.483 1410 T N 0.511 115.086 114.554 0.034 0.000 2.904 1410 T HA -0.095 4.255 4.350 -0.001 0.000 0.267 1410 T C 1.971 176.701 174.700 0.050 0.000 1.059 1410 T CA 0.752 62.873 62.100 0.037 0.000 1.137 1410 T CB -0.215 68.669 68.868 0.027 0.000 0.879 1410 T HN 0.222 nan 8.240 nan 0.000 0.467 1411 V N 1.758 121.702 119.914 0.050 0.000 2.323 1411 V HA -0.069 4.051 4.120 -0.001 0.000 0.244 1411 V C 2.738 178.878 176.094 0.077 0.000 1.041 1411 V CA 1.630 63.967 62.300 0.062 0.000 1.025 1411 V CB -0.531 31.323 31.823 0.051 0.000 0.656 1411 V HN 0.473 nan 8.190 nan 0.000 0.451 1412 K N -0.154 120.287 120.400 0.069 0.000 2.283 1412 K HA -0.126 4.193 4.320 -0.001 0.000 0.202 1412 K C 2.190 178.853 176.600 0.105 0.000 1.048 1412 K CA 0.924 57.259 56.287 0.079 0.000 0.948 1412 K CB -0.116 32.419 32.500 0.059 0.000 0.742 1412 K HN 0.419 nan 8.250 nan 0.000 0.458 1413 K N 1.039 121.499 120.400 0.101 0.000 2.025 1413 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 1413 K C 2.116 178.826 176.600 0.184 0.000 1.049 1413 K CA 1.127 57.491 56.287 0.128 0.000 0.933 1413 K CB -0.011 32.541 32.500 0.088 0.000 0.714 1413 K HN 0.034 nan 8.250 nan 0.000 0.438 1414 K N 1.212 121.707 120.400 0.158 0.000 2.063 1414 K HA -0.212 4.107 4.320 -0.001 0.000 0.208 1414 K C 1.354 178.123 176.600 0.281 0.000 1.048 1414 K CA 2.023 58.438 56.287 0.214 0.000 0.928 1414 K CB -0.014 32.583 32.500 0.162 0.000 0.713 1414 K HN 0.061 nan 8.250 nan 0.000 0.442 1415 D N 0.865 121.392 120.400 0.211 0.000 2.144 1415 D HA -0.155 4.484 4.640 -0.001 0.000 0.199 1415 D C 1.936 178.376 176.300 0.232 0.000 0.984 1415 D CA 1.002 55.124 54.000 0.202 0.000 0.834 1415 D CB -0.078 40.809 40.800 0.146 0.000 0.955 1415 D HN 0.299 nan 8.370 nan 0.000 0.465 1416 L N -0.441 120.930 121.223 0.247 0.000 2.395 1416 L HA -0.044 4.296 4.340 -0.001 0.000 0.218 1416 L C 2.143 179.241 176.870 0.379 0.000 1.130 1416 L CA 0.131 55.150 54.840 0.298 0.000 0.826 1416 L CB -0.190 42.025 42.059 0.260 0.000 0.941 1416 L HN -0.067 nan 8.230 nan 0.000 0.451 1417 F N 0.865 120.928 119.950 0.188 0.000 2.163 1417 F HA -0.100 4.426 4.527 -0.001 0.000 0.297 1417 F C 2.081 177.952 175.800 0.118 0.000 1.094 1417 F CA 1.289 59.373 58.000 0.139 0.000 1.290 1417 F CB -0.080 39.007 39.000 0.146 0.000 1.017 1417 F HN -0.134 nan 8.300 nan 0.000 0.483 1418 L N -0.223 121.130 121.223 0.216 0.000 2.275 1418 L HA -0.166 4.174 4.340 -0.001 0.000 0.215 1418 L C 1.835 178.769 176.870 0.107 0.000 1.119 1418 L CA 0.922 55.878 54.840 0.192 0.000 0.790 1418 L CB -0.748 41.515 42.059 0.341 0.000 0.919 1418 L HN 0.121 nan 8.230 nan 0.000 0.443 1419 D N 0.039 120.529 120.400 0.150 0.000 2.137 1419 D HA -0.130 4.510 4.640 -0.001 0.000 0.202 1419 D C 2.201 178.586 176.300 0.143 0.000 0.970 1419 D CA 0.658 54.783 54.000 0.209 0.000 0.837 1419 D CB 0.062 41.054 40.800 0.320 0.000 0.981 1419 D HN 0.124 nan 8.370 nan 0.000 0.475 1420 L N 1.595 122.779 121.223 -0.065 0.000 1.971 1420 L HA -0.177 4.163 4.340 -0.001 0.000 0.215 1420 L C 2.235 178.834 176.870 -0.451 0.000 1.072 1420 L CA 1.546 56.041 54.840 -0.576 0.000 0.758 1420 L CB -0.951 40.691 42.059 -0.696 0.000 0.889 1420 L HN 0.005 nan 8.230 nan 0.000 0.433 1421 I N 0.088 120.312 120.570 -0.577 0.000 2.226 1421 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 1421 I C 2.757 178.600 176.117 -0.457 0.000 1.100 1421 I CA 1.108 61.993 61.300 -0.691 0.000 1.374 1421 I CB -0.534 36.738 38.000 -1.212 0.000 1.057 1421 I HN 0.317 nan 8.210 nan 0.000 0.413 1422 A N 0.511 123.212 122.820 -0.198 0.000 1.933 1422 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 1422 A C 1.882 179.509 177.584 0.073 0.000 1.175 1422 A CA 2.142 54.238 52.037 0.100 0.000 0.628 1422 A CB -0.584 18.532 19.000 0.194 0.000 0.814 1422 A HN 0.327 nan 8.150 nan 0.000 0.444 1423 D N -0.538 119.853 120.400 -0.015 0.000 2.097 1423 D HA -0.085 4.555 4.640 -0.001 0.000 0.197 1423 D C 2.011 178.148 176.300 -0.271 0.000 0.984 1423 D CA 1.304 55.288 54.000 -0.025 0.000 0.826 1423 D CB -0.275 40.622 40.800 0.162 0.000 0.973 1423 D HN 0.181 nan 8.370 nan 0.000 0.460 1424 V N 0.516 120.107 119.914 -0.539 0.000 2.295 1424 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 1424 V C 2.381 178.199 176.094 -0.460 0.000 1.049 1424 V CA 1.391 63.271 62.300 -0.699 0.000 1.024 1424 V CB -0.340 31.005 31.823 -0.798 0.000 0.648 1424 V HN 0.255 nan 8.190 nan 0.000 0.447 1425 M N -1.733 117.589 119.600 -0.464 0.000 2.123 1425 M HA -0.032 4.448 4.480 -0.001 0.000 0.263 1425 M C 1.978 177.779 176.300 -0.831 0.000 1.069 1425 M CA 2.161 57.049 55.300 -0.687 0.000 1.133 1425 M CB -0.210 31.886 32.600 -0.841 0.000 1.356 1425 M HN 0.366 nan 8.290 nan 0.000 0.415 1426 F N -1.702 118.174 119.950 -0.124 0.000 2.495 1426 F HA 0.329 4.856 4.527 -0.000 0.000 0.272 1426 F C 2.402 178.158 175.800 -0.074 0.000 0.919 1426 F CA 0.256 58.214 58.000 -0.070 0.000 1.178 1426 F CB -1.398 37.599 39.000 -0.005 0.000 1.030 1426 F HN 0.061 nan 8.300 nan 0.000 0.777 1427 G N 1.244 110.131 108.800 0.145 0.000 2.721 1427 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 1427 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 1427 G C 1.724 176.628 174.900 0.008 0.000 1.265 1427 G CA 2.117 47.255 45.100 0.063 0.000 0.796 1427 G HN 0.171 nan 8.290 nan 0.000 0.620 1428 V N 2.343 122.254 119.914 -0.005 0.000 2.287 1428 V HA -0.123 3.997 4.120 -0.001 0.000 0.248 1428 V C 0.406 176.488 176.094 -0.021 0.000 1.053 1428 V CA 2.401 64.710 62.300 0.014 0.000 1.027 1428 V CB -1.252 30.588 31.823 0.028 0.000 0.646 1428 V HN 0.312 nan 8.190 nan 0.000 0.447 1429 P HA -0.102 nan 4.420 nan 0.000 0.216 1429 P C 1.941 179.197 177.300 -0.072 0.000 1.150 1429 P CA 1.719 64.770 63.100 -0.082 0.000 0.837 1429 P CB -0.053 31.562 31.700 -0.142 0.000 0.786 1430 S N -0.949 114.707 115.700 -0.073 0.000 2.357 1430 S HA -0.085 4.385 4.470 -0.001 0.000 0.221 1430 S C 2.007 176.501 174.600 -0.176 0.000 1.031 1430 S CA 1.049 59.177 58.200 -0.120 0.000 0.982 1430 S CB -1.178 61.955 63.200 -0.112 0.000 0.853 1430 S HN -0.044 nan 8.310 nan 0.000 0.458 1431 V N 2.386 122.215 119.914 -0.142 0.000 2.343 1431 V HA -0.164 3.956 4.120 -0.001 0.000 0.247 1431 V C 2.079 178.123 176.094 -0.084 0.000 1.051 1431 V CA 1.475 63.681 62.300 -0.158 0.000 1.036 1431 V CB -0.675 31.111 31.823 -0.062 0.000 0.654 1431 V HN 0.441 nan 8.190 nan 0.000 0.451 1432 I N -0.430 120.123 120.570 -0.027 0.000 2.142 1432 I HA -0.227 3.942 4.170 -0.001 0.000 0.240 1432 I C 2.416 178.535 176.117 0.003 0.000 1.078 1432 I CA 1.407 62.715 61.300 0.013 0.000 1.343 1432 I CB -0.498 37.514 38.000 0.020 0.000 1.046 1432 I HN 0.150 nan 8.210 nan 0.000 0.405 1433 V N 1.199 121.094 119.914 -0.031 0.000 2.332 1433 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 1433 V C 2.760 178.839 176.094 -0.025 0.000 1.055 1433 V CA 2.061 64.357 62.300 -0.008 0.000 1.038 1433 V CB -1.099 30.707 31.823 -0.030 0.000 0.651 1433 V HN 0.518 nan 8.190 nan 0.000 0.450 1434 A N -0.078 122.642 122.820 -0.167 0.000 1.883 1434 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 1434 A C 2.375 179.949 177.584 -0.017 0.000 1.186 1434 A CA 2.173 54.044 52.037 -0.276 0.000 0.624 1434 A CB -0.525 18.081 19.000 -0.657 0.000 0.822 1434 A HN 0.531 nan 8.150 nan 0.000 0.444 1435 R N -0.620 119.936 120.500 0.092 0.000 2.070 1435 R HA -0.145 4.194 4.340 -0.001 0.000 0.233 1435 R C 2.112 178.518 176.300 0.177 0.000 1.137 1435 R CA 1.761 58.016 56.100 0.258 0.000 0.945 1435 R CB -0.528 29.896 30.300 0.208 0.000 0.845 1435 R HN 0.618 nan 8.270 nan 0.000 0.430 1436 N N -0.286 118.492 118.700 0.130 0.000 2.104 1436 N HA -0.211 4.528 4.740 -0.001 0.000 0.190 1436 N C 1.686 177.283 175.510 0.145 0.000 1.024 1436 N CA 1.534 54.654 53.050 0.117 0.000 0.853 1436 N CB -0.293 38.255 38.487 0.100 0.000 1.008 1436 N HN 0.302 nan 8.380 nan 0.000 0.424 1437 H N 0.682 119.817 119.070 0.107 0.000 2.353 1437 H HA 0.015 4.571 4.556 -0.001 0.000 0.300 1437 H C 2.218 177.621 175.328 0.125 0.000 1.090 1437 H CA 1.607 57.741 56.048 0.144 0.000 1.327 1437 H CB 0.081 29.966 29.762 0.205 0.000 1.383 1437 H HN 0.072 nan 8.280 nan 0.000 0.508 1438 R N 0.331 120.948 120.500 0.195 0.000 2.070 1438 R HA -0.129 4.210 4.340 -0.001 0.000 0.233 1438 R C 1.078 177.408 176.300 0.051 0.000 1.137 1438 R CA 1.965 58.148 56.100 0.138 0.000 0.945 1438 R CB -0.194 30.247 30.300 0.235 0.000 0.845 1438 R HN 0.425 nan 8.270 nan 0.000 0.430 1439 D N 0.086 120.523 120.400 0.062 0.000 2.378 1439 D HA -0.071 4.569 4.640 -0.001 0.000 0.222 1439 D C 1.033 177.338 176.300 0.008 0.000 0.980 1439 D CA 0.920 54.940 54.000 0.033 0.000 0.907 1439 D CB 0.245 41.071 40.800 0.045 0.000 0.899 1439 D HN 0.400 nan 8.370 nan 0.000 0.527 1440 A N -0.197 122.610 122.820 -0.021 0.000 2.275 1440 A HA 0.442 4.762 4.320 -0.001 0.000 0.212 1440 A C 1.686 179.230 177.584 -0.067 0.000 1.201 1440 A CA 0.683 52.694 52.037 -0.044 0.000 0.843 1440 A CB 0.062 19.021 19.000 -0.068 0.000 0.873 1440 A HN 0.190 nan 8.150 nan 0.000 0.492 1441 G N -1.968 106.794 108.800 -0.062 0.000 2.132 1441 G HA2 0.182 4.141 3.960 -0.001 0.000 0.228 1441 G HA3 0.182 4.141 3.960 -0.001 0.000 0.228 1441 G C 0.169 175.032 174.900 -0.062 0.000 1.000 1441 G CA 0.246 45.318 45.100 -0.046 0.000 0.693 1441 G HN 1.641 nan 8.290 nan 0.000 0.515 1442 A N -0.264 122.479 122.820 -0.129 0.000 2.374 1442 A HA 0.908 5.227 4.320 -0.001 0.000 0.317 1442 A C -2.549 175.076 177.584 0.069 0.000 1.094 1442 A CA -1.732 50.255 52.037 -0.083 0.000 0.765 1442 A CB 1.583 20.419 19.000 -0.274 0.000 1.268 1442 A HN 0.058 nan 8.150 nan 0.000 0.438 1443 P HA 0.192 nan 4.420 nan 0.000 0.261 1443 P C -0.470 177.010 177.300 0.301 0.000 1.183 1443 P CA 0.851 64.070 63.100 0.199 0.000 0.761 1443 P CB 0.547 32.424 31.700 0.295 0.000 0.785 1444 T N 3.322 117.914 114.554 0.064 0.000 2.876 1444 T HA 0.561 4.911 4.350 -0.001 0.000 0.289 1444 T C -1.022 173.492 174.700 -0.311 0.000 1.014 1444 T CA -0.266 61.885 62.100 0.084 0.000 0.986 1444 T CB 0.788 69.786 68.868 0.216 0.000 1.021 1444 T HN 0.118 nan 8.240 nan 0.000 0.458 1445 Y N 1.086 121.354 120.300 -0.052 0.000 2.524 1445 Y HA 0.707 5.257 4.550 -0.001 0.000 0.347 1445 Y C -0.027 175.855 175.900 -0.030 0.000 1.005 1445 Y CA -1.120 56.930 58.100 -0.083 0.000 1.025 1445 Y CB 2.082 40.202 38.460 -0.567 0.000 1.275 1445 Y HN 0.374 nan 8.280 nan 0.000 0.460 1446 M N 2.819 122.679 119.600 0.433 0.000 2.658 1446 M HA 0.570 5.050 4.480 -0.001 0.000 0.295 1446 M C -1.675 174.937 176.300 0.520 0.000 1.248 1446 M CA -1.025 54.413 55.300 0.230 0.000 0.843 1446 M CB 3.453 36.004 32.600 -0.082 0.000 1.749 1446 M HN 0.769 nan 8.290 nan 0.000 0.464 1447 Y N -1.550 118.900 120.300 0.250 0.000 2.641 1447 Y HA 0.654 5.203 4.550 -0.001 0.000 0.333 1447 Y C -1.765 174.253 175.900 0.197 0.000 1.174 1447 Y CA -0.974 57.217 58.100 0.151 0.000 1.057 1447 Y CB 1.463 39.932 38.460 0.016 0.000 1.322 1447 Y HN 0.707 nan 8.280 nan 0.000 0.457 1448 E N 3.014 123.515 120.200 0.502 0.000 2.220 1448 E HA 0.321 4.671 4.350 -0.001 0.000 0.256 1448 E C -2.166 174.709 176.600 0.458 0.000 0.881 1448 E CA -0.843 55.800 56.400 0.404 0.000 0.766 1448 E CB 1.147 31.053 29.700 0.343 0.000 1.187 1448 E HN 0.625 nan 8.360 nan 0.000 0.419 1449 F N 3.846 124.028 119.950 0.387 0.000 2.424 1449 F HA 0.216 4.744 4.527 0.000 0.000 0.356 1449 F C -0.223 175.700 175.800 0.204 0.000 1.110 1449 F CA 0.020 58.176 58.000 0.260 0.000 1.161 1449 F CB 0.987 40.147 39.000 0.266 0.000 1.115 1449 F HN 0.442 nan 8.300 nan 0.000 0.507 1450 Q N 7.057 126.666 119.800 -0.317 0.000 2.397 1450 Q HA 0.302 4.642 4.340 -0.001 0.000 0.260 1450 Q C -2.243 173.603 176.000 -0.257 0.000 1.002 1450 Q CA -0.697 55.010 55.803 -0.161 0.000 0.716 1450 Q CB 1.142 29.855 28.738 -0.041 0.000 1.258 1450 Q HN 0.800 nan 8.270 nan 0.000 0.477 1451 Y N 1.622 121.711 120.300 -0.352 0.000 2.393 1451 Y HA 0.226 4.775 4.550 -0.001 0.000 0.320 1451 Y C -1.883 174.013 175.900 -0.007 0.000 1.241 1451 Y CA -0.709 57.245 58.100 -0.243 0.000 1.122 1451 Y CB 1.175 39.380 38.460 -0.425 0.000 1.322 1451 Y HN 0.576 nan 8.280 nan 0.000 0.441 1452 R N 7.791 128.030 120.500 -0.435 0.000 2.196 1452 R HA 0.429 4.769 4.340 -0.001 0.000 0.340 1452 R C -2.619 173.536 176.300 -0.243 0.000 1.043 1452 R CA -1.741 54.222 56.100 -0.228 0.000 0.883 1452 R CB 0.724 30.870 30.300 -0.256 0.000 1.078 1452 R HN 0.400 nan 8.270 nan 0.000 0.462 1453 P HA -0.005 nan 4.420 nan 0.000 0.271 1453 P C 0.065 177.243 177.300 -0.204 0.000 1.218 1453 P CA -0.122 63.042 63.100 0.107 0.000 0.780 1453 P CB 1.489 33.310 31.700 0.202 0.000 0.901 1454 S N 0.993 116.426 115.700 -0.445 0.000 2.515 1454 S HA -0.064 4.405 4.470 -0.001 0.000 0.231 1454 S C 0.965 175.181 174.600 -0.640 0.000 0.987 1454 S CA 0.445 58.295 58.200 -0.583 0.000 0.936 1454 S CB -1.072 61.708 63.200 -0.699 0.000 0.766 1454 S HN 0.387 nan 8.310 nan 0.000 0.528 1455 F N 2.427 122.160 119.950 -0.360 0.000 2.663 1455 F HA 0.454 4.981 4.527 -0.000 0.000 0.299 1455 F C 1.125 176.680 175.800 -0.409 0.000 1.143 1455 F CA -0.736 56.999 58.000 -0.441 0.000 1.387 1455 F CB -0.669 37.899 39.000 -0.720 0.000 1.019 1455 F HN 0.009 nan 8.300 nan 0.000 0.523 1456 S N -0.326 115.273 115.700 -0.169 0.000 2.617 1456 S HA 0.153 4.622 4.470 -0.001 0.000 0.255 1456 S C 0.614 175.167 174.600 -0.077 0.000 1.318 1456 S CA -0.627 57.519 58.200 -0.091 0.000 0.978 1456 S CB 0.867 63.986 63.200 -0.134 0.000 0.961 1456 S HN 0.333 nan 8.310 nan 0.000 0.582 1457 S N -0.400 115.236 115.700 -0.107 0.000 2.632 1457 S HA 0.112 4.581 4.470 -0.001 0.000 0.267 1457 S C 0.567 175.045 174.600 -0.204 0.000 1.276 1457 S CA -0.588 57.551 58.200 -0.101 0.000 0.998 1457 S CB 0.219 63.396 63.200 -0.039 0.000 0.953 1457 S HN 0.602 nan 8.310 nan 0.000 0.547 1458 D N 2.059 122.388 120.400 -0.118 0.000 2.234 1458 D HA -0.006 4.634 4.640 -0.001 0.000 0.205 1458 D C 1.583 177.787 176.300 -0.161 0.000 0.962 1458 D CA 1.162 55.089 54.000 -0.122 0.000 0.855 1458 D CB -0.045 40.720 40.800 -0.058 0.000 0.951 1458 D HN 0.583 nan 8.370 nan 0.000 0.500 1459 M N 0.287 119.792 119.600 -0.159 0.000 2.558 1459 M HA -0.002 4.478 4.480 -0.001 0.000 0.255 1459 M C 1.063 177.092 176.300 -0.452 0.000 1.113 1459 M CA 0.336 55.559 55.300 -0.128 0.000 1.097 1459 M CB 0.176 32.860 32.600 0.140 0.000 1.426 1459 M HN -0.265 nan 8.290 nan 0.000 0.488 1460 K N 3.770 123.586 120.400 -0.975 0.000 2.349 1460 K HA 0.163 4.482 4.320 -0.001 0.000 0.289 1460 K C -2.195 174.008 176.600 -0.662 0.000 1.064 1460 K CA -1.575 53.810 56.287 -1.503 0.000 0.947 1460 K CB 0.541 32.100 32.500 -1.569 0.000 1.007 1460 K HN -0.063 nan 8.250 nan 0.000 0.478 1461 P HA -0.066 nan 4.420 nan 0.000 0.265 1461 P C -0.548 176.640 177.300 -0.187 0.000 1.187 1461 P CA 0.235 63.208 63.100 -0.212 0.000 0.766 1461 P CB 0.635 32.278 31.700 -0.094 0.000 0.820 1462 K N 0.730 121.046 120.400 -0.140 0.000 2.362 1462 K HA -0.052 4.268 4.320 -0.001 0.000 0.200 1462 K C 1.653 178.196 176.600 -0.095 0.000 1.046 1462 K CA 1.600 57.811 56.287 -0.127 0.000 0.952 1462 K CB -0.493 31.941 32.500 -0.111 0.000 0.753 1462 K HN 0.614 nan 8.250 nan 0.000 0.466 1463 T N -1.610 112.906 114.554 -0.064 0.000 3.113 1463 T HA 0.054 4.404 4.350 -0.001 0.000 0.256 1463 T C 0.761 175.454 174.700 -0.013 0.000 1.131 1463 T CA -0.155 61.924 62.100 -0.033 0.000 1.074 1463 T CB -0.114 68.749 68.868 -0.008 0.000 0.944 1463 T HN -0.204 nan 8.240 nan 0.000 0.516 1464 V N 2.554 122.458 119.914 -0.016 0.000 2.427 1464 V HA 0.407 4.526 4.120 -0.001 0.000 0.268 1464 V C 0.009 176.114 176.094 0.019 0.000 1.046 1464 V CA -0.582 61.737 62.300 0.032 0.000 0.970 1464 V CB 0.297 32.159 31.823 0.066 0.000 1.001 1464 V HN 0.453 nan 8.190 nan 0.000 0.476 1465 I N 3.933 124.526 120.570 0.039 0.000 2.447 1465 I HA 0.618 4.788 4.170 -0.001 0.000 0.287 1465 I C 0.814 176.988 176.117 0.096 0.000 1.023 1465 I CA -0.430 60.884 61.300 0.024 0.000 1.083 1465 I CB 1.780 39.762 38.000 -0.030 0.000 1.245 1465 I HN 0.806 nan 8.210 nan 0.000 0.434 1466 G N 3.651 112.549 108.800 0.164 0.000 2.248 1466 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.252 1466 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.252 1466 G C -0.297 174.762 174.900 0.265 0.000 1.085 1466 G CA -0.290 44.969 45.100 0.265 0.000 0.845 1466 G HN 0.678 nan 8.290 nan 0.000 0.494 1467 D N -0.608 119.953 120.400 0.268 0.000 2.360 1467 D HA 0.347 4.986 4.640 -0.001 0.000 0.242 1467 D C 0.924 177.396 176.300 0.287 0.000 1.184 1467 D CA -0.409 53.756 54.000 0.275 0.000 0.930 1467 D CB 0.385 41.379 40.800 0.323 0.000 1.161 1467 D HN 0.357 nan 8.370 nan 0.000 0.447 1468 H N -0.121 119.033 119.070 0.139 0.000 3.107 1468 H HA 0.298 4.853 4.556 -0.001 0.000 0.301 1468 H C 1.291 176.742 175.328 0.206 0.000 0.981 1468 H CA 1.753 57.848 56.048 0.079 0.000 1.443 1468 H CB -0.018 29.748 29.762 0.007 0.000 1.479 1468 H HN 0.562 nan 8.280 nan 0.000 0.564 1469 G N 4.310 112.963 108.800 -0.245 0.000 2.195 1469 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.246 1469 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.246 1469 G C 1.166 175.957 174.900 -0.180 0.000 0.984 1469 G CA 0.403 45.263 45.100 -0.401 0.000 0.633 1469 G HN 0.638 nan 8.290 nan 0.000 0.525 1470 D N 1.005 121.480 120.400 0.125 0.000 2.218 1470 D HA -0.040 4.599 4.640 -0.001 0.000 0.204 1470 D C 2.409 178.794 176.300 0.142 0.000 0.976 1470 D CA 1.351 55.561 54.000 0.351 0.000 0.853 1470 D CB -0.044 41.058 40.800 0.504 0.000 0.939 1470 D HN 0.729 nan 8.370 nan 0.000 0.481 1471 E N 1.203 121.172 120.200 -0.385 0.000 2.358 1471 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 1471 E C 2.159 178.416 176.600 -0.571 0.000 1.010 1471 E CA 0.131 55.876 56.400 -1.092 0.000 0.856 1471 E CB -0.640 28.337 29.700 -1.204 0.000 0.795 1471 E HN 0.316 nan 8.360 nan 0.000 0.504 1472 L N -0.148 120.803 121.223 -0.453 0.000 2.042 1472 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 1472 L C 2.530 179.120 176.870 -0.466 0.000 1.076 1472 L CA 1.671 56.215 54.840 -0.494 0.000 0.749 1472 L CB -0.685 40.897 42.059 -0.795 0.000 0.893 1472 L HN 0.027 nan 8.230 nan 0.000 0.432 1473 F N -0.620 119.220 119.950 -0.184 0.000 2.269 1473 F HA -0.180 4.347 4.527 -0.001 0.000 0.301 1473 F C 2.626 178.336 175.800 -0.149 0.000 1.082 1473 F CA 1.111 59.004 58.000 -0.179 0.000 1.360 1473 F CB -0.469 38.480 39.000 -0.085 0.000 1.041 1473 F HN -0.012 nan 8.300 nan 0.000 0.512 1474 S N -0.323 115.352 115.700 -0.041 0.000 2.388 1474 S HA -0.070 4.399 4.470 -0.001 0.000 0.223 1474 S C 2.266 176.685 174.600 -0.301 0.000 1.034 1474 S CA 0.744 58.868 58.200 -0.126 0.000 0.963 1474 S CB -0.349 62.762 63.200 -0.149 0.000 0.827 1474 S HN 0.100 nan 8.310 nan 0.000 0.481 1475 V N 0.805 120.433 119.914 -0.477 0.000 2.295 1475 V HA -0.111 4.009 4.120 -0.001 0.000 0.246 1475 V C 1.252 176.998 176.094 -0.580 0.000 1.049 1475 V CA 1.591 63.485 62.300 -0.678 0.000 1.024 1475 V CB -0.613 30.808 31.823 -0.670 0.000 0.648 1475 V HN 0.457 nan 8.190 nan 0.000 0.447 1476 F N 0.682 120.423 119.950 -0.349 0.000 2.713 1476 F HA 0.461 4.987 4.527 -0.001 0.000 0.294 1476 F C 1.608 177.292 175.800 -0.194 0.000 1.152 1476 F CA 0.330 58.159 58.000 -0.286 0.000 1.385 1476 F CB -0.456 38.331 39.000 -0.354 0.000 0.981 1476 F HN 0.238 nan 8.300 nan 0.000 0.514 1477 G N 0.854 109.629 108.800 -0.042 0.000 2.395 1477 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.300 1477 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.300 1477 G C 1.336 176.319 174.900 0.138 0.000 0.998 1477 G CA 0.382 45.563 45.100 0.134 0.000 1.046 1477 G HN 0.619 nan 8.290 nan 0.000 0.513 1478 A N 0.208 123.012 122.820 -0.026 0.000 1.948 1478 A HA 0.034 4.353 4.320 -0.001 0.000 0.220 1478 A C 0.711 178.170 177.584 -0.210 0.000 1.177 1478 A CA 2.160 54.067 52.037 -0.216 0.000 0.636 1478 A CB -0.823 17.901 19.000 -0.461 0.000 0.815 1478 A HN 0.491 nan 8.150 nan 0.000 0.449 1479 P HA -0.125 nan 4.420 nan 0.000 0.221 1479 P C 0.438 177.507 177.300 -0.385 0.000 1.145 1479 P CA 0.932 63.921 63.100 -0.186 0.000 0.795 1479 P CB -0.155 31.263 31.700 -0.470 0.000 0.775 1480 F N -2.491 117.488 119.950 0.048 0.000 2.660 1480 F HA 0.245 4.772 4.527 -0.001 0.000 0.302 1480 F C 1.597 177.443 175.800 0.076 0.000 1.103 1480 F CA 0.324 58.375 58.000 0.085 0.000 1.340 1480 F CB -0.248 38.819 39.000 0.112 0.000 1.048 1480 F HN -0.159 nan 8.300 nan 0.000 0.551 1481 L N -1.625 119.682 121.223 0.140 0.000 2.860 1481 L HA 0.237 4.577 4.340 -0.001 0.000 0.251 1481 L C 0.452 177.359 176.870 0.062 0.000 1.041 1481 L CA 0.031 54.929 54.840 0.097 0.000 0.985 1481 L CB 0.319 42.411 42.059 0.054 0.000 1.656 1481 L HN -0.235 nan 8.230 nan 0.000 0.526 1482 K N 0.980 121.407 120.400 0.045 0.000 2.123 1482 K HA 0.446 4.766 4.320 -0.001 0.000 0.248 1482 K C -0.653 176.053 176.600 0.176 0.000 0.969 1482 K CA -0.525 55.825 56.287 0.105 0.000 0.882 1482 K CB 1.678 34.232 32.500 0.090 0.000 1.080 1482 K HN -0.052 nan 8.250 nan 0.000 0.441 1483 E N -0.643 119.645 120.200 0.147 0.000 2.250 1483 E HA 0.355 4.705 4.350 -0.001 0.000 0.265 1483 E C 0.544 177.173 176.600 0.049 0.000 1.033 1483 E CA -0.124 56.328 56.400 0.086 0.000 0.888 1483 E CB 1.282 31.011 29.700 0.048 0.000 1.151 1483 E HN 0.791 nan 8.360 nan 0.000 0.412 1484 G N 0.688 109.475 108.800 -0.021 0.000 2.254 1484 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.225 1484 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.225 1484 G C 0.429 175.228 174.900 -0.169 0.000 1.003 1484 G CA -0.239 44.797 45.100 -0.107 0.000 0.622 1484 G HN 0.816 nan 8.290 nan 0.000 0.507 1485 A N 1.128 123.862 122.820 -0.144 0.000 2.561 1485 A HA 0.524 4.844 4.320 -0.001 0.000 0.251 1485 A C 1.139 178.655 177.584 -0.114 0.000 1.062 1485 A CA 1.364 53.307 52.037 -0.157 0.000 0.761 1485 A CB -0.085 18.888 19.000 -0.045 0.000 0.986 1485 A HN 2.093 nan 8.150 nan 0.000 0.510 1486 S N 1.608 117.243 115.700 -0.109 0.000 2.632 1486 S HA 0.259 4.728 4.470 -0.001 0.000 0.267 1486 S C 0.912 175.482 174.600 -0.050 0.000 1.276 1486 S CA 0.276 58.436 58.200 -0.066 0.000 0.998 1486 S CB 1.004 64.173 63.200 -0.052 0.000 0.953 1486 S HN 0.761 nan 8.310 nan 0.000 0.547 1487 E N 0.545 120.726 120.200 -0.031 0.000 2.160 1487 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 1487 E C 1.803 178.395 176.600 -0.015 0.000 0.991 1487 E CA 1.889 58.278 56.400 -0.018 0.000 0.810 1487 E CB -0.256 29.442 29.700 -0.004 0.000 0.742 1487 E HN 0.830 nan 8.360 nan 0.000 0.466 1488 E N 0.077 120.274 120.200 -0.006 0.000 2.047 1488 E HA -0.238 4.111 4.350 -0.001 0.000 0.191 1488 E C 1.987 178.568 176.600 -0.031 0.000 0.987 1488 E CA 1.223 57.626 56.400 0.005 0.000 0.799 1488 E CB -0.129 29.601 29.700 0.051 0.000 0.752 1488 E HN 0.385 nan 8.360 nan 0.000 0.449 1489 E N 0.196 120.384 120.200 -0.020 0.000 2.150 1489 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 1489 E C 2.166 178.704 176.600 -0.102 0.000 0.985 1489 E CA 0.833 57.194 56.400 -0.065 0.000 0.814 1489 E CB -0.001 29.699 29.700 0.000 0.000 0.752 1489 E HN 0.338 nan 8.360 nan 0.000 0.466 1490 I N 0.343 120.844 120.570 -0.116 0.000 2.142 1490 I HA -0.289 3.881 4.170 -0.001 0.000 0.240 1490 I C 2.612 178.714 176.117 -0.026 0.000 1.078 1490 I CA 1.163 62.349 61.300 -0.190 0.000 1.343 1490 I CB -0.246 37.664 38.000 -0.149 0.000 1.046 1490 I HN 0.059 nan 8.210 nan 0.000 0.405 1491 R N 0.195 120.699 120.500 0.006 0.000 2.081 1491 R HA -0.187 4.152 4.340 -0.001 0.000 0.235 1491 R C 2.280 178.587 176.300 0.011 0.000 1.131 1491 R CA 1.208 57.332 56.100 0.040 0.000 0.960 1491 R CB -0.524 29.790 30.300 0.023 0.000 0.856 1491 R HN 0.219 nan 8.270 nan 0.000 0.436 1492 L N 0.629 121.817 121.223 -0.057 0.000 1.990 1492 L HA -0.237 4.103 4.340 -0.001 0.000 0.213 1492 L C 2.323 179.169 176.870 -0.039 0.000 1.072 1492 L CA 2.106 56.888 54.840 -0.097 0.000 0.755 1492 L CB -0.876 41.010 42.059 -0.288 0.000 0.889 1492 L HN 0.061 nan 8.230 nan 0.000 0.432 1493 S N -1.135 114.551 115.700 -0.023 0.000 2.382 1493 S HA -0.224 4.245 4.470 -0.001 0.000 0.228 1493 S C 2.070 176.700 174.600 0.050 0.000 1.027 1493 S CA 1.496 59.703 58.200 0.013 0.000 0.991 1493 S CB -0.256 62.989 63.200 0.075 0.000 0.823 1493 S HN 0.537 nan 8.310 nan 0.000 0.469 1494 K N 0.431 120.911 120.400 0.135 0.000 2.032 1494 K HA -0.120 4.200 4.320 -0.001 0.000 0.209 1494 K C 2.331 178.936 176.600 0.008 0.000 1.048 1494 K CA 1.749 58.098 56.287 0.103 0.000 0.927 1494 K CB -0.324 32.277 32.500 0.168 0.000 0.712 1494 K HN 0.476 nan 8.250 nan 0.000 0.441 1495 M N 0.946 120.547 119.600 0.003 0.000 2.117 1495 M HA -0.159 4.321 4.480 -0.001 0.000 0.262 1495 M C 1.942 178.252 176.300 0.018 0.000 1.065 1495 M CA 1.466 56.742 55.300 -0.040 0.000 1.114 1495 M CB 0.064 32.679 32.600 0.026 0.000 1.361 1495 M HN -0.065 nan 8.290 nan 0.000 0.408 1496 V N 1.082 121.017 119.914 0.035 0.000 2.343 1496 V HA -0.313 3.806 4.120 -0.001 0.000 0.247 1496 V C 2.405 178.433 176.094 -0.110 0.000 1.051 1496 V CA 2.002 64.273 62.300 -0.048 0.000 1.036 1496 V CB -0.673 30.938 31.823 -0.353 0.000 0.654 1496 V HN 0.568 nan 8.190 nan 0.000 0.451 1497 M N -1.085 118.429 119.600 -0.143 0.000 2.229 1497 M HA -0.116 4.364 4.480 -0.001 0.000 0.264 1497 M C 2.314 178.630 176.300 0.026 0.000 1.063 1497 M CA 1.439 56.669 55.300 -0.116 0.000 1.114 1497 M CB -0.474 32.028 32.600 -0.163 0.000 1.387 1497 M HN 0.189 nan 8.290 nan 0.000 0.420 1498 K N 0.443 120.838 120.400 -0.008 0.000 2.032 1498 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 1498 K C 1.827 178.458 176.600 0.051 0.000 1.048 1498 K CA 1.674 57.935 56.287 -0.045 0.000 0.927 1498 K CB -0.537 31.846 32.500 -0.195 0.000 0.712 1498 K HN 0.316 nan 8.250 nan 0.000 0.441 1499 F N -0.190 119.901 119.950 0.234 0.000 2.051 1499 F HA -0.229 4.297 4.527 -0.001 0.000 0.296 1499 F C 2.630 178.621 175.800 0.319 0.000 1.122 1499 F CA 0.957 59.148 58.000 0.319 0.000 1.201 1499 F CB -0.402 38.950 39.000 0.587 0.000 0.978 1499 F HN 0.197 nan 8.300 nan 0.000 0.472 1500 W N 0.173 121.571 121.300 0.163 0.000 2.318 1500 W HA -0.290 4.370 4.660 -0.001 0.000 0.313 1500 W C 2.622 179.143 176.519 0.003 0.000 1.221 1500 W CA 0.948 58.310 57.345 0.029 0.000 1.266 1500 W CB -0.696 28.709 29.460 -0.093 0.000 1.150 1500 W HN 0.029 nan 8.180 nan 0.000 0.496 1501 A N 0.486 123.433 122.820 0.212 0.000 1.930 1501 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 1501 A C 1.697 179.321 177.584 0.067 0.000 1.175 1501 A CA 1.793 53.878 52.037 0.080 0.000 0.627 1501 A CB -0.927 18.098 19.000 0.041 0.000 0.815 1501 A HN 0.254 nan 8.150 nan 0.000 0.443 1502 N N -0.949 117.811 118.700 0.100 0.000 2.188 1502 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 1502 N C 1.377 176.921 175.510 0.057 0.000 1.018 1502 N CA 1.242 54.332 53.050 0.067 0.000 0.858 1502 N CB -0.591 37.946 38.487 0.083 0.000 0.989 1502 N HN 0.485 nan 8.380 nan 0.000 0.426 1503 F N 1.928 121.817 119.950 -0.102 0.000 2.102 1503 F HA -0.080 4.446 4.527 -0.000 0.000 0.298 1503 F C 2.222 177.944 175.800 -0.131 0.000 1.105 1503 F CA 1.184 59.064 58.000 -0.200 0.000 1.239 1503 F CB -0.669 38.133 39.000 -0.331 0.000 0.991 1503 F HN 0.036 nan 8.300 nan 0.000 0.474 1504 A N 0.417 123.188 122.820 -0.080 0.000 1.908 1504 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 1504 A C 2.399 179.901 177.584 -0.137 0.000 1.181 1504 A CA 1.961 53.915 52.037 -0.138 0.000 0.627 1504 A CB -0.713 18.245 19.000 -0.070 0.000 0.818 1504 A HN 0.451 nan 8.150 nan 0.000 0.445 1505 R N -0.717 119.731 120.500 -0.087 0.000 2.061 1505 R HA -0.045 4.294 4.340 -0.001 0.000 0.230 1505 R C 1.207 177.446 176.300 -0.100 0.000 1.140 1505 R CA 1.538 57.596 56.100 -0.070 0.000 0.940 1505 R CB -0.244 30.037 30.300 -0.031 0.000 0.839 1505 R HN 0.555 nan 8.270 nan 0.000 0.429 1506 N N -1.286 117.348 118.700 -0.109 0.000 2.220 1506 N HA 0.072 4.812 4.740 -0.001 0.000 0.195 1506 N C 0.787 176.199 175.510 -0.165 0.000 1.123 1506 N CA 0.902 53.890 53.050 -0.103 0.000 0.874 1506 N CB 1.525 39.988 38.487 -0.041 0.000 0.995 1506 N HN 0.410 nan 8.380 nan 0.000 0.498 1507 G N 1.333 109.914 108.800 -0.365 0.000 2.148 1507 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.254 1507 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.254 1507 G C -0.149 174.650 174.900 -0.167 0.000 0.981 1507 G CA 0.154 44.933 45.100 -0.536 0.000 0.670 1507 G HN 0.472 nan 8.290 nan 0.000 0.528 1508 N N -0.361 118.299 118.700 -0.067 0.000 2.478 1508 N HA 0.388 5.127 4.740 -0.001 0.000 0.291 1508 N C -1.558 173.902 175.510 -0.084 0.000 1.090 1508 N CA -1.294 51.707 53.050 -0.081 0.000 0.911 1508 N CB 2.414 40.918 38.487 0.029 0.000 1.546 1508 N HN -0.047 nan 8.380 nan 0.000 0.500 1509 P HA -0.067 nan 4.420 nan 0.000 0.221 1509 P C -0.156 177.273 177.300 0.214 0.000 1.150 1509 P CA 0.534 63.579 63.100 -0.091 0.000 0.800 1509 P CB 0.306 31.644 31.700 -0.604 0.000 0.787 1510 N N 0.898 119.678 118.700 0.134 0.000 2.345 1510 N HA 0.213 4.953 4.740 -0.001 0.000 0.243 1510 N C 0.892 176.493 175.510 0.152 0.000 1.246 1510 N CA 1.241 54.435 53.050 0.240 0.000 0.863 1510 N CB 0.307 38.924 38.487 0.217 0.000 1.096 1510 N HN 0.175 nan 8.380 nan 0.000 0.446 1511 G N -0.167 108.712 108.800 0.132 0.000 2.601 1511 G HA2 0.266 4.226 3.960 -0.001 0.000 0.291 1511 G HA3 0.266 4.226 3.960 -0.001 0.000 0.291 1511 G C -1.232 173.703 174.900 0.058 0.000 1.456 1511 G CA -0.762 44.377 45.100 0.064 0.000 0.804 1511 G HN 0.586 nan 8.290 nan 0.000 0.499 1512 E N -0.640 119.587 120.200 0.044 0.000 2.413 1512 E HA 0.420 4.770 4.350 -0.001 0.000 0.263 1512 E C 1.092 177.704 176.600 0.019 0.000 1.015 1512 E CA 0.307 56.733 56.400 0.042 0.000 0.916 1512 E CB 0.927 30.647 29.700 0.033 0.000 0.947 1512 E HN 2.025 nan 8.360 nan 0.000 0.440 1513 G N 2.524 111.341 108.800 0.030 0.000 2.179 1513 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.260 1513 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.260 1513 G C -0.051 174.849 174.900 0.000 0.000 0.977 1513 G CA 0.357 45.465 45.100 0.015 0.000 0.641 1513 G HN 0.434 nan 8.290 nan 0.000 0.533 1514 L N 0.423 121.651 121.223 0.007 0.000 2.346 1514 L HA 0.528 4.867 4.340 -0.001 0.000 0.274 1514 L C -1.958 175.018 176.870 0.178 0.000 1.007 1514 L CA -2.424 52.407 54.840 -0.015 0.000 0.818 1514 L CB 1.824 43.706 42.059 -0.294 0.000 1.284 1514 L HN -0.160 nan 8.230 nan 0.000 0.424 1515 P HA -0.059 nan 4.420 nan 0.000 0.266 1515 P C -0.840 176.700 177.300 0.399 0.000 1.193 1515 P CA 0.005 63.281 63.100 0.293 0.000 0.770 1515 P CB 0.233 32.090 31.700 0.263 0.000 0.836 1516 H N 2.264 121.477 119.070 0.239 0.000 2.848 1516 H HA 0.151 4.707 4.556 -0.001 0.000 0.317 1516 H C -0.968 174.549 175.328 0.316 0.000 1.046 1516 H CA 0.079 56.291 56.048 0.273 0.000 1.470 1516 H CB 0.178 30.054 29.762 0.189 0.000 1.483 1516 H HN 0.364 nan 8.280 nan 0.000 0.548 1517 W N 10.002 131.025 121.300 -0.460 0.000 2.294 1517 W HA 0.314 4.974 4.660 0.000 0.000 0.314 1517 W C -2.813 173.462 176.519 -0.406 0.000 1.044 1517 W CA -3.182 53.971 57.345 -0.319 0.000 1.284 1517 W CB 0.974 30.282 29.460 -0.254 0.000 1.231 1517 W HN 0.572 nan 8.180 nan 0.000 0.419 1518 P HA 0.079 nan 4.420 nan 0.000 0.274 1518 P C -0.383 177.137 177.300 0.367 0.000 1.237 1518 P CA 0.024 63.299 63.100 0.292 0.000 0.793 1518 P CB 1.602 33.475 31.700 0.288 0.000 0.977 1519 E N 0.874 121.165 120.200 0.152 0.000 2.374 1519 E HA 0.007 4.357 4.350 -0.001 0.000 0.260 1519 E C -0.932 175.632 176.600 -0.060 0.000 1.101 1519 E CA -0.569 55.683 56.400 -0.247 0.000 0.907 1519 E CB 0.283 29.834 29.700 -0.247 0.000 1.014 1519 E HN 0.372 nan 8.360 nan 0.000 0.427 1520 Y N 5.102 125.255 120.300 -0.245 0.000 2.667 1520 Y HA 0.090 4.639 4.550 -0.001 0.000 0.340 1520 Y C -0.220 175.650 175.900 -0.050 0.000 1.303 1520 Y CA -0.479 57.584 58.100 -0.061 0.000 1.769 1520 Y CB -0.793 37.639 38.460 -0.047 0.000 1.804 1520 Y HN 0.488 nan 8.280 nan 0.000 0.451 1521 N N -0.330 118.247 118.700 -0.205 0.000 2.577 1521 N HA 0.039 4.778 4.740 -0.001 0.000 0.296 1521 N C 0.943 176.302 175.510 -0.251 0.000 1.357 1521 N CA -0.078 52.875 53.050 -0.162 0.000 0.896 1521 N CB 0.050 38.492 38.487 -0.075 0.000 1.102 1521 N HN 0.187 nan 8.380 nan 0.000 0.506 1522 Q N -0.241 119.476 119.800 -0.138 0.000 2.170 1522 Q HA -0.008 4.331 4.340 -0.001 0.000 0.203 1522 Q C 1.248 177.166 176.000 -0.136 0.000 0.976 1522 Q CA 1.380 57.110 55.803 -0.121 0.000 0.858 1522 Q CB -0.366 28.337 28.738 -0.058 0.000 0.907 1522 Q HN 0.604 nan 8.270 nan 0.000 0.433 1523 K N 0.673 121.003 120.400 -0.116 0.000 2.486 1523 K HA -0.036 4.283 4.320 -0.001 0.000 0.194 1523 K C -0.169 176.360 176.600 -0.119 0.000 1.033 1523 K CA 0.023 56.264 56.287 -0.076 0.000 1.004 1523 K CB 0.210 32.697 32.500 -0.023 0.000 0.798 1523 K HN 0.222 nan 8.250 nan 0.000 0.495 1524 E N -0.029 119.979 120.200 -0.320 0.000 2.320 1524 E HA -0.157 4.193 4.350 -0.001 0.000 0.234 1524 E C -0.022 176.562 176.600 -0.026 0.000 1.183 1524 E CA 0.122 56.197 56.400 -0.543 0.000 0.713 1524 E CB -1.667 27.844 29.700 -0.316 0.000 1.226 1524 E HN 0.494 nan 8.360 nan 0.000 0.382 1525 G N 0.737 109.569 108.800 0.052 0.000 2.432 1525 G HA2 0.412 4.372 3.960 -0.001 0.000 0.257 1525 G HA3 0.412 4.372 3.960 -0.001 0.000 0.257 1525 G C -0.286 174.881 174.900 0.445 0.000 1.238 1525 G CA 0.020 45.255 45.100 0.226 0.000 0.838 1525 G HN 0.323 nan 8.290 nan 0.000 0.547 1526 Y N -0.188 120.224 120.300 0.186 0.000 2.677 1526 Y HA 0.744 5.294 4.550 -0.000 0.000 0.334 1526 Y C -1.511 174.340 175.900 -0.081 0.000 1.154 1526 Y CA -1.830 56.372 58.100 0.170 0.000 1.070 1526 Y CB 1.812 40.373 38.460 0.167 0.000 1.294 1526 Y HN 0.531 nan 8.280 nan 0.000 0.475 1527 L N 2.476 123.495 121.223 -0.339 0.000 2.325 1527 L HA 0.459 4.799 4.340 -0.001 0.000 0.281 1527 L C -1.023 175.608 176.870 -0.398 0.000 1.004 1527 L CA -0.480 53.932 54.840 -0.713 0.000 0.823 1527 L CB 1.834 42.907 42.059 -1.643 0.000 1.236 1527 L HN 0.748 nan 8.230 nan 0.000 0.415 1528 Q N 5.837 125.429 119.800 -0.346 0.000 2.314 1528 Q HA 0.440 4.780 4.340 -0.001 0.000 0.257 1528 Q C -0.934 174.981 176.000 -0.141 0.000 0.975 1528 Q CA 0.013 55.736 55.803 -0.133 0.000 0.933 1528 Q CB 1.536 30.196 28.738 -0.130 0.000 1.195 1528 Q HN 0.581 nan 8.270 nan 0.000 0.426 1529 I N 2.254 122.779 120.570 -0.075 0.000 2.339 1529 I HA 0.633 4.803 4.170 -0.001 0.000 0.290 1529 I C 0.543 176.513 176.117 -0.245 0.000 0.994 1529 I CA -0.205 61.037 61.300 -0.098 0.000 1.191 1529 I CB 1.436 39.462 38.000 0.043 0.000 1.343 1529 I HN 0.768 nan 8.210 nan 0.000 0.458 1530 G N 3.253 111.931 108.800 -0.202 0.000 2.348 1530 G HA2 0.381 4.341 3.960 -0.001 0.000 0.296 1530 G HA3 0.381 4.341 3.960 -0.001 0.000 0.296 1530 G C 0.332 175.191 174.900 -0.069 0.000 1.258 1530 G CA 0.058 45.036 45.100 -0.204 0.000 0.868 1530 G HN 0.536 nan 8.290 nan 0.000 0.488 1531 A N -0.607 122.261 122.820 0.081 0.000 1.958 1531 A HA -0.012 4.307 4.320 -0.001 0.000 0.221 1531 A C 1.213 178.808 177.584 0.019 0.000 1.178 1531 A CA 2.167 54.255 52.037 0.086 0.000 0.642 1531 A CB -0.331 18.740 19.000 0.118 0.000 0.816 1531 A HN 0.589 nan 8.150 nan 0.000 0.453 1532 N N 0.340 119.040 118.700 0.000 0.000 2.706 1532 N HA 0.215 4.955 4.740 -0.001 0.000 0.240 1532 N C -1.477 174.016 175.510 -0.028 0.000 1.039 1532 N CA 0.007 53.053 53.050 -0.008 0.000 0.888 1532 N CB 0.665 39.147 38.487 -0.008 0.000 1.128 1532 N HN 0.081 nan 8.380 nan 0.000 0.512 1533 T N 3.420 117.963 114.554 -0.019 0.000 2.729 1533 T HA 0.290 4.640 4.350 -0.001 0.000 0.296 1533 T C -0.048 174.633 174.700 -0.033 0.000 0.928 1533 T CA -0.204 61.875 62.100 -0.035 0.000 1.045 1533 T CB 0.493 69.370 68.868 0.015 0.000 0.902 1533 T HN 0.526 nan 8.240 nan 0.000 0.500 1534 Q N 1.755 121.501 119.800 -0.090 0.000 2.482 1534 Q HA 0.739 5.079 4.340 -0.001 0.000 0.286 1534 Q C -1.397 174.496 176.000 -0.178 0.000 1.007 1534 Q CA -1.354 54.399 55.803 -0.083 0.000 0.801 1534 Q CB 1.553 30.260 28.738 -0.051 0.000 1.455 1534 Q HN 0.547 nan 8.270 nan 0.000 0.398 1535 A N 0.691 123.428 122.820 -0.139 0.000 2.386 1535 A HA 0.794 5.114 4.320 -0.001 0.000 0.248 1535 A C -0.350 177.079 177.584 -0.258 0.000 1.082 1535 A CA 0.499 52.414 52.037 -0.203 0.000 0.789 1535 A CB 0.498 19.475 19.000 -0.039 0.000 1.025 1535 A HN 1.018 nan 8.150 nan 0.000 0.490 1536 A N 0.646 123.203 122.820 -0.439 0.000 2.535 1536 A HA 0.795 5.115 4.320 -0.001 0.000 0.296 1536 A C -0.711 176.754 177.584 -0.199 0.000 1.248 1536 A CA -0.542 51.249 52.037 -0.411 0.000 0.686 1536 A CB 1.004 19.582 19.000 -0.703 0.000 1.315 1536 A HN 0.839 nan 8.150 nan 0.000 0.460 1537 Q N -0.421 119.433 119.800 0.090 0.000 2.456 1537 Q HA 0.511 4.851 4.340 -0.001 0.000 0.284 1537 Q C -1.458 174.768 176.000 0.376 0.000 1.061 1537 Q CA -0.987 54.983 55.803 0.277 0.000 0.799 1537 Q CB 2.089 30.903 28.738 0.127 0.000 1.445 1537 Q HN 0.629 nan 8.270 nan 0.000 0.411 1538 K N 1.165 121.724 120.400 0.265 0.000 3.689 1538 K HA -0.217 4.102 4.320 -0.001 0.000 0.276 1538 K C -0.678 175.993 176.600 0.119 0.000 0.932 1538 K CA 0.005 56.391 56.287 0.165 0.000 0.758 1538 K CB -1.174 31.393 32.500 0.112 0.000 1.500 1538 K HN 0.383 nan 8.250 nan 0.000 0.448 1539 L N 2.186 123.383 121.223 -0.042 0.000 2.513 1539 L HA 0.012 4.351 4.340 -0.001 0.000 0.272 1539 L C 0.707 177.509 176.870 -0.112 0.000 1.187 1539 L CA 0.658 55.277 54.840 -0.368 0.000 0.895 1539 L CB 0.336 41.844 42.059 -0.919 0.000 1.147 1539 L HN 0.359 nan 8.230 nan 0.000 0.483 1540 K N 2.701 123.069 120.400 -0.053 0.000 2.971 1540 K HA -0.303 4.017 4.320 -0.001 0.000 0.265 1540 K C 1.013 177.659 176.600 0.076 0.000 1.052 1540 K CA 1.180 57.487 56.287 0.033 0.000 0.780 1540 K CB -1.405 31.114 32.500 0.032 0.000 1.214 1540 K HN 0.939 nan 8.250 nan 0.000 0.478 1541 D N 1.191 121.632 120.400 0.070 0.000 2.116 1541 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 1541 D C 1.555 177.912 176.300 0.095 0.000 0.998 1541 D CA 1.856 55.907 54.000 0.085 0.000 0.836 1541 D CB 0.170 41.016 40.800 0.075 0.000 0.951 1541 D HN 0.512 nan 8.370 nan 0.000 0.449 1542 K N -0.257 120.191 120.400 0.080 0.000 2.063 1542 K HA -0.163 4.157 4.320 -0.001 0.000 0.208 1542 K C 2.226 178.902 176.600 0.127 0.000 1.048 1542 K CA 1.507 57.836 56.287 0.071 0.000 0.928 1542 K CB -0.049 32.463 32.500 0.020 0.000 0.713 1542 K HN 0.143 nan 8.250 nan 0.000 0.442 1543 E N 0.414 120.723 120.200 0.182 0.000 2.072 1543 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 1543 E C 2.008 178.878 176.600 0.449 0.000 0.982 1543 E CA 0.810 57.428 56.400 0.363 0.000 0.803 1543 E CB -0.284 29.678 29.700 0.437 0.000 0.755 1543 E HN -0.016 nan 8.360 nan 0.000 0.453 1544 V N 1.253 121.345 119.914 0.296 0.000 2.332 1544 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 1544 V C 2.211 178.439 176.094 0.222 0.000 1.055 1544 V CA 1.964 64.417 62.300 0.255 0.000 1.038 1544 V CB -0.896 31.023 31.823 0.161 0.000 0.651 1544 V HN 0.366 nan 8.190 nan 0.000 0.450 1545 A N -0.597 122.326 122.820 0.173 0.000 1.897 1545 A HA -0.171 4.148 4.320 -0.001 0.000 0.215 1545 A C 2.088 179.725 177.584 0.088 0.000 1.181 1545 A CA 1.695 53.802 52.037 0.117 0.000 0.620 1545 A CB -0.642 18.414 19.000 0.093 0.000 0.821 1545 A HN 0.513 nan 8.150 nan 0.000 0.443 1546 F N -0.567 119.357 119.950 -0.045 0.000 2.069 1546 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 1546 F C 1.935 177.561 175.800 -0.291 0.000 1.113 1546 F CA 1.756 59.627 58.000 -0.216 0.000 1.214 1546 F CB -0.578 38.204 39.000 -0.364 0.000 0.978 1546 F HN 0.383 nan 8.300 nan 0.000 0.474 1547 W N 0.257 121.436 121.300 -0.202 0.000 2.409 1547 W HA -0.085 4.575 4.660 -0.001 0.000 0.299 1547 W C 2.625 179.008 176.519 -0.228 0.000 1.203 1547 W CA 1.570 58.659 57.345 -0.426 0.000 1.298 1547 W CB -1.182 28.170 29.460 -0.181 0.000 1.127 1547 W HN -0.184 nan 8.180 nan 0.000 0.528 1548 T N 0.621 115.282 114.554 0.178 0.000 2.778 1548 T HA -0.229 4.121 4.350 -0.001 0.000 0.269 1548 T C 1.287 176.024 174.700 0.061 0.000 1.050 1548 T CA 1.896 64.093 62.100 0.162 0.000 1.137 1548 T CB -0.364 68.578 68.868 0.124 0.000 0.860 1548 T HN 0.108 nan 8.240 nan 0.000 0.468 1549 N N 0.451 119.108 118.700 -0.072 0.000 2.197 1549 N HA 0.103 4.842 4.740 -0.001 0.000 0.184 1549 N C 1.545 176.941 175.510 -0.191 0.000 1.030 1549 N CA 0.301 53.281 53.050 -0.117 0.000 0.851 1549 N CB -0.552 37.848 38.487 -0.144 0.000 1.003 1549 N HN 0.136 nan 8.380 nan 0.000 0.430 1550 L N 0.159 121.108 121.223 -0.457 0.000 2.043 1550 L HA -0.061 4.278 4.340 -0.001 0.000 0.212 1550 L C 1.620 178.385 176.870 -0.175 0.000 1.075 1550 L CA 1.666 56.204 54.840 -0.504 0.000 0.752 1550 L CB -0.726 40.703 42.059 -1.050 0.000 0.891 1550 L HN 0.202 nan 8.230 nan 0.000 0.432 1551 F N -0.648 119.278 119.950 -0.040 0.000 2.186 1551 F HA -0.121 4.406 4.527 -0.001 0.000 0.299 1551 F C 2.409 178.210 175.800 0.002 0.000 1.090 1551 F CA 0.462 58.479 58.000 0.028 0.000 1.307 1551 F CB -0.425 38.612 39.000 0.062 0.000 1.019 1551 F HN 0.206 nan 8.300 nan 0.000 0.489 1552 A N 0.185 123.107 122.820 0.171 0.000 2.234 1552 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 1552 A C 1.018 178.638 177.584 0.061 0.000 1.167 1552 A CA 0.970 53.061 52.037 0.089 0.000 0.698 1552 A CB -0.695 18.333 19.000 0.047 0.000 0.779 1552 A HN 0.438 nan 8.150 nan 0.000 0.475 1553 K N 0.000 120.437 120.400 0.062 0.000 2.780 1553 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1553 K CA 0.000 56.311 56.287 0.040 0.000 0.838 1553 K CB 0.000 32.535 32.500 0.058 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543