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 1mx9_1_G 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 0.000 174.693 174.600 0.154 0.000 1.055 1021 S CA 0.000 58.255 58.200 0.092 0.000 1.107 1021 S CB 0.000 63.239 63.200 0.064 0.000 0.593 1022 S N 4.443 120.225 115.700 0.136 0.000 3.448 1022 S HA 0.208 4.678 4.470 -0.000 0.000 0.408 1022 S C -2.049 172.663 174.600 0.187 0.000 1.128 1022 S CA -0.182 58.100 58.200 0.137 0.000 1.339 1022 S CB -0.572 62.700 63.200 0.120 0.000 0.915 1022 S HN 0.393 nan 8.310 nan 0.000 0.546 1023 P HA 0.119 nan 4.420 nan 0.000 0.267 1023 P C -2.439 174.763 177.300 -0.163 0.000 1.201 1023 P CA -0.957 62.092 63.100 -0.084 0.000 0.775 1023 P CB -0.091 31.554 31.700 -0.092 0.000 0.854 1024 P HA 0.058 nan 4.420 nan 0.000 0.282 1024 P C -0.958 176.356 177.300 0.024 0.000 1.262 1024 P CA 0.231 63.169 63.100 -0.270 0.000 0.773 1024 P CB 0.568 31.931 31.700 -0.562 0.000 0.879 1025 V N 5.476 125.449 119.914 0.098 0.000 2.284 1025 V HA 0.143 4.263 4.120 -0.000 0.000 0.274 1025 V C 0.635 176.784 176.094 0.091 0.000 1.023 1025 V CA -0.607 61.776 62.300 0.137 0.000 0.808 1025 V CB 1.597 33.477 31.823 0.096 0.000 1.035 1025 V HN 0.315 nan 8.190 nan 0.000 0.445 1026 V N 3.161 123.111 119.914 0.060 0.000 2.997 1026 V HA 0.420 4.540 4.120 -0.000 0.000 0.311 1026 V C 0.022 176.034 176.094 -0.135 0.000 1.066 1026 V CA -0.462 61.716 62.300 -0.203 0.000 1.039 1026 V CB 2.041 33.400 31.823 -0.773 0.000 1.081 1026 V HN 0.768 nan 8.190 nan 0.000 0.467 1027 D N 1.800 122.083 120.400 -0.196 0.000 2.464 1027 D HA 0.293 4.933 4.640 -0.000 0.000 0.243 1027 D C 0.083 176.285 176.300 -0.162 0.000 1.104 1027 D CA -0.140 53.791 54.000 -0.114 0.000 0.883 1027 D CB 1.403 42.148 40.800 -0.093 0.000 1.050 1027 D HN 0.772 nan 8.370 nan 0.000 0.524 1028 T N -0.991 113.516 114.554 -0.079 0.000 2.788 1028 T HA 0.177 4.527 4.350 -0.000 0.000 0.280 1028 T C 1.717 176.296 174.700 -0.201 0.000 0.984 1028 T CA -0.607 61.438 62.100 -0.091 0.000 0.972 1028 T CB 1.160 70.151 68.868 0.205 0.000 1.039 1028 T HN 0.002 nan 8.240 nan 0.000 0.530 1029 V N 1.151 120.873 119.914 -0.320 0.000 2.594 1029 V HA -0.105 4.015 4.120 -0.000 0.000 0.253 1029 V C 2.173 178.022 176.094 -0.409 0.000 1.069 1029 V CA 1.516 63.583 62.300 -0.388 0.000 1.082 1029 V CB -1.162 30.358 31.823 -0.505 0.000 0.680 1029 V HN 0.858 nan 8.190 nan 0.000 0.469 1030 H N -0.333 118.521 119.070 -0.360 0.000 2.551 1030 H HA 0.495 5.051 4.556 -0.000 0.000 0.271 1030 H C 0.985 175.502 175.328 -1.352 0.000 0.984 1030 H CA 0.799 56.432 56.048 -0.691 0.000 1.164 1030 H CB 0.604 29.993 29.762 -0.622 0.000 1.437 1030 H HN 0.512 nan 8.280 nan 0.000 0.550 1031 G N 0.220 108.550 108.800 -0.783 0.000 2.369 1031 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.295 1031 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.295 1031 G C -1.370 173.545 174.900 0.024 0.000 1.298 1031 G CA -1.161 43.534 45.100 -0.675 0.000 0.940 1031 G HN 0.037 nan 8.290 nan 0.000 0.536 1032 K N 0.024 120.602 120.400 0.297 0.000 2.234 1032 K HA 0.563 4.883 4.320 -0.000 0.000 0.282 1032 K C 0.365 177.270 176.600 0.509 0.000 1.039 1032 K CA -0.520 55.967 56.287 0.333 0.000 0.928 1032 K CB 1.812 34.453 32.500 0.234 0.000 1.039 1032 K HN 0.880 nan 8.250 nan 0.000 0.470 1033 V N 1.154 121.305 119.914 0.394 0.000 2.667 1033 V HA 0.558 4.678 4.120 -0.000 0.000 0.308 1033 V C -0.690 175.619 176.094 0.358 0.000 1.048 1033 V CA -1.087 61.447 62.300 0.391 0.000 0.928 1033 V CB 1.790 33.891 31.823 0.463 0.000 1.004 1033 V HN 0.644 nan 8.190 nan 0.000 0.444 1034 L N 3.967 125.370 121.223 0.300 0.000 2.372 1034 L HA 0.802 5.142 4.340 -0.000 0.000 0.273 1034 L C 0.273 177.181 176.870 0.063 0.000 0.989 1034 L CA 0.295 55.256 54.840 0.202 0.000 0.841 1034 L CB 1.000 43.113 42.059 0.090 0.000 1.225 1034 L HN 0.988 nan 8.230 nan 0.000 0.414 1035 G N 4.850 113.533 108.800 -0.195 0.000 2.773 1035 G HA2 0.503 4.463 3.960 -0.000 0.000 0.186 1035 G HA3 0.503 4.463 3.960 -0.000 0.000 0.186 1035 G C -0.897 173.675 174.900 -0.547 0.000 1.411 1035 G CA -0.392 44.297 45.100 -0.685 0.000 1.054 1035 G HN 0.724 nan 8.290 nan 0.000 0.579 1036 K N -1.693 118.334 120.400 -0.621 0.000 2.536 1036 K HA 0.584 4.904 4.320 -0.000 0.000 0.269 1036 K C -1.792 174.582 176.600 -0.376 0.000 0.965 1036 K CA -0.881 55.167 56.287 -0.398 0.000 0.860 1036 K CB 1.716 34.086 32.500 -0.216 0.000 1.423 1036 K HN 0.289 nan 8.250 nan 0.000 0.438 1037 F N 1.063 120.954 119.950 -0.099 0.000 2.399 1037 F HA 0.556 5.083 4.527 -0.000 0.000 0.334 1037 F C -0.379 175.408 175.800 -0.020 0.000 1.097 1037 F CA -0.787 57.184 58.000 -0.048 0.000 1.076 1037 F CB 2.153 41.144 39.000 -0.016 0.000 1.162 1037 F HN 0.101 nan 8.300 nan 0.000 0.495 1038 V N 1.869 121.933 119.914 0.250 0.000 2.851 1038 V HA 0.405 4.525 4.120 -0.000 0.000 0.307 1038 V C -1.087 175.083 176.094 0.126 0.000 1.129 1038 V CA -0.920 61.469 62.300 0.148 0.000 0.932 1038 V CB 2.362 34.257 31.823 0.120 0.000 1.024 1038 V HN 0.747 nan 8.190 nan 0.000 0.426 1039 S N 4.007 119.760 115.700 0.088 0.000 2.502 1039 S HA 0.789 5.259 4.470 -0.000 0.000 0.304 1039 S C -1.042 173.600 174.600 0.070 0.000 1.097 1039 S CA -0.640 57.604 58.200 0.073 0.000 1.045 1039 S CB 1.772 65.006 63.200 0.058 0.000 1.019 1039 S HN 0.726 nan 8.310 nan 0.000 0.481 1040 L N 3.548 124.801 121.223 0.051 0.000 2.290 1040 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 1040 L C 0.631 177.589 176.870 0.146 0.000 1.078 1040 L CA -0.076 54.792 54.840 0.046 0.000 0.815 1040 L CB 0.711 42.705 42.059 -0.110 0.000 1.162 1040 L HN 0.914 nan 8.230 nan 0.000 0.435 1041 E N 4.812 125.101 120.200 0.149 0.000 2.568 1041 E HA 0.070 4.420 4.350 -0.000 0.000 0.262 1041 E C 0.767 177.513 176.600 0.243 0.000 0.961 1041 E CA 0.936 57.432 56.400 0.161 0.000 0.945 1041 E CB 0.264 30.042 29.700 0.129 0.000 0.924 1041 E HN 0.962 nan 8.360 nan 0.000 0.467 1042 G N 3.351 112.234 108.800 0.139 0.000 2.234 1042 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.235 1042 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.235 1042 G C -0.171 174.562 174.900 -0.278 0.000 0.997 1042 G CA 0.154 45.249 45.100 -0.008 0.000 0.623 1042 G HN 0.432 nan 8.290 nan 0.000 0.514 1043 F N 0.591 120.492 119.950 -0.082 0.000 2.449 1043 F HA 0.757 5.284 4.527 -0.000 0.000 0.342 1043 F C 1.098 176.863 175.800 -0.059 0.000 1.127 1043 F CA -0.349 57.595 58.000 -0.093 0.000 0.975 1043 F CB 1.850 40.766 39.000 -0.141 0.000 1.146 1043 F HN 0.105 nan 8.300 nan 0.000 0.444 1044 A N 1.818 124.655 122.820 0.029 0.000 2.067 1044 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 1044 A C 1.069 178.666 177.584 0.021 0.000 1.156 1044 A CA 0.560 52.602 52.037 0.009 0.000 0.683 1044 A CB -0.342 18.641 19.000 -0.029 0.000 0.808 1044 A HN 0.629 nan 8.150 nan 0.000 0.455 1045 Q N 1.657 121.495 119.800 0.063 0.000 2.361 1045 Q HA 0.292 4.632 4.340 -0.000 0.000 0.250 1045 Q C -2.459 173.574 176.000 0.056 0.000 1.023 1045 Q CA -2.613 53.219 55.803 0.049 0.000 0.915 1045 Q CB 0.583 29.368 28.738 0.078 0.000 1.238 1045 Q HN 0.326 nan 8.270 nan 0.000 0.451 1046 P HA 0.018 nan 4.420 nan 0.000 0.272 1046 P C -0.911 176.472 177.300 0.138 0.000 1.223 1046 P CA -0.193 62.918 63.100 0.018 0.000 0.784 1046 P CB 0.974 32.580 31.700 -0.157 0.000 0.923 1047 V N 2.055 122.093 119.914 0.206 0.000 2.394 1047 V HA 0.445 4.565 4.120 -0.000 0.000 0.282 1047 V C 0.687 176.987 176.094 0.344 0.000 1.031 1047 V CA -0.794 61.664 62.300 0.263 0.000 0.881 1047 V CB 0.996 32.940 31.823 0.201 0.000 0.982 1047 V HN 0.752 nan 8.190 nan 0.000 0.451 1048 A N 6.739 129.770 122.820 0.352 0.000 2.362 1048 A HA 0.740 5.060 4.320 -0.000 0.000 0.276 1048 A C -0.400 177.142 177.584 -0.070 0.000 1.153 1048 A CA -0.188 51.869 52.037 0.034 0.000 0.813 1048 A CB -0.055 18.990 19.000 0.075 0.000 1.081 1048 A HN 0.786 nan 8.150 nan 0.000 0.507 1049 I N 2.568 122.908 120.570 -0.384 0.000 2.389 1049 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 1049 I C -1.290 174.413 176.117 -0.690 0.000 0.999 1049 I CA -0.246 60.822 61.300 -0.388 0.000 1.129 1049 I CB 1.499 39.375 38.000 -0.207 0.000 1.288 1049 I HN 0.540 nan 8.210 nan 0.000 0.444 1050 F N 6.797 126.603 119.950 -0.240 0.000 2.427 1050 F HA 0.526 5.053 4.527 -0.000 0.000 0.348 1050 F C -0.292 175.360 175.800 -0.247 0.000 1.125 1050 F CA -0.587 57.314 58.000 -0.165 0.000 0.989 1050 F CB 1.137 40.125 39.000 -0.021 0.000 1.165 1050 F HN 0.120 nan 8.300 nan 0.000 0.442 1051 L N 2.871 124.021 121.223 -0.122 0.000 2.313 1051 L HA 0.668 5.008 4.340 -0.000 0.000 0.283 1051 L C 0.775 177.578 176.870 -0.112 0.000 1.013 1051 L CA -0.582 54.162 54.840 -0.160 0.000 0.816 1051 L CB 1.609 43.463 42.059 -0.341 0.000 1.236 1051 L HN 0.926 nan 8.230 nan 0.000 0.419 1052 G N 3.207 111.972 108.800 -0.059 0.000 2.141 1052 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.231 1052 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.231 1052 G C 0.161 175.102 174.900 0.067 0.000 0.984 1052 G CA -0.569 44.472 45.100 -0.098 0.000 0.660 1052 G HN 0.494 nan 8.290 nan 0.000 0.525 1053 I N 3.099 123.715 120.570 0.077 0.000 2.668 1053 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 1053 I C -1.203 174.994 176.117 0.133 0.000 1.168 1053 I CA -1.248 60.110 61.300 0.097 0.000 1.424 1053 I CB 0.565 38.569 38.000 0.007 0.000 1.377 1053 I HN 0.018 nan 8.210 nan 0.000 0.560 1054 P HA 0.107 nan 4.420 nan 0.000 0.284 1054 P C -0.371 176.895 177.300 -0.058 0.000 1.253 1054 P CA -0.146 62.893 63.100 -0.101 0.000 0.800 1054 P CB 0.965 32.598 31.700 -0.112 0.000 0.961 1055 F N 0.157 119.967 119.950 -0.234 0.000 2.767 1055 F HA 0.733 5.260 4.527 -0.000 0.000 0.323 1055 F C -0.055 175.796 175.800 0.085 0.000 1.091 1055 F CA -0.705 57.226 58.000 -0.115 0.000 1.192 1055 F CB 0.159 38.955 39.000 -0.339 0.000 1.056 1055 F HN 0.359 nan 8.300 nan 0.000 0.571 1056 A N 1.007 123.533 122.820 -0.491 0.000 2.572 1056 A HA 0.491 4.811 4.320 -0.000 0.000 0.295 1056 A C -1.084 176.314 177.584 -0.311 0.000 1.072 1056 A CA -1.026 50.837 52.037 -0.291 0.000 0.691 1056 A CB 1.108 19.901 19.000 -0.345 0.000 1.291 1056 A HN 0.203 nan 8.150 nan 0.000 0.404 1057 K N 1.536 121.836 120.400 -0.167 0.000 2.412 1057 K HA 0.281 4.601 4.320 -0.000 0.000 0.281 1057 K C -2.341 174.143 176.600 -0.192 0.000 1.027 1057 K CA -1.211 54.985 56.287 -0.151 0.000 0.989 1057 K CB 0.157 32.604 32.500 -0.087 0.000 0.935 1057 K HN 0.312 nan 8.250 nan 0.000 0.475 1058 P HA -0.059 nan 4.420 nan 0.000 0.256 1058 P C -2.386 174.823 177.300 -0.151 0.000 1.173 1058 P CA -0.673 62.311 63.100 -0.193 0.000 0.768 1058 P CB 0.132 31.748 31.700 -0.139 0.000 0.758 1059 P HA 0.028 nan 4.420 nan 0.000 0.238 1059 P C -0.606 176.609 177.300 -0.142 0.000 1.729 1059 P CA 0.558 63.569 63.100 -0.148 0.000 1.055 1059 P CB 0.020 31.631 31.700 -0.147 0.000 1.980 1060 L N 0.309 121.459 121.223 -0.122 0.000 2.352 1060 L HA 0.561 4.901 4.340 -0.000 0.000 0.269 1060 L C 1.690 178.494 176.870 -0.110 0.000 1.034 1060 L CA -0.343 54.434 54.840 -0.106 0.000 0.806 1060 L CB 0.885 42.895 42.059 -0.082 0.000 1.244 1060 L HN 0.320 nan 8.230 nan 0.000 0.447 1061 G N 1.884 110.620 108.800 -0.106 0.000 2.685 1061 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.329 1061 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.329 1061 G C -1.156 173.673 174.900 -0.118 0.000 1.271 1061 G CA 0.398 45.437 45.100 -0.102 0.000 1.003 1061 G HN 0.628 nan 8.290 nan 0.000 0.549 1062 P HA -0.045 nan 4.420 nan 0.000 0.222 1062 P C 1.972 179.215 177.300 -0.096 0.000 1.142 1062 P CA 1.622 64.682 63.100 -0.066 0.000 0.788 1062 P CB -0.124 31.556 31.700 -0.034 0.000 0.767 1063 L N -1.386 119.762 121.223 -0.124 0.000 2.418 1063 L HA 0.074 4.414 4.340 -0.000 0.000 0.218 1063 L C 1.832 178.549 176.870 -0.254 0.000 1.125 1063 L CA -0.090 54.657 54.840 -0.154 0.000 0.835 1063 L CB -0.420 41.563 42.059 -0.127 0.000 0.953 1063 L HN -0.066 nan 8.230 nan 0.000 0.454 1064 R N 0.667 120.978 120.500 -0.314 0.000 2.585 1064 R HA -0.081 4.259 4.340 -0.000 0.000 0.275 1064 R C -0.302 175.624 176.300 -0.623 0.000 1.018 1064 R CA 0.048 55.805 56.100 -0.571 0.000 1.072 1064 R CB 0.140 29.995 30.300 -0.743 0.000 0.953 1064 R HN 0.062 nan 8.270 nan 0.000 0.419 1065 F N 0.125 119.722 119.950 -0.589 0.000 3.058 1065 F HA -0.263 4.264 4.527 0.000 0.000 0.295 1065 F C 0.098 174.988 175.800 -1.517 0.000 0.875 1065 F CA 1.360 58.709 58.000 -1.085 0.000 1.150 1065 F CB -2.609 36.163 39.000 -0.381 0.000 1.175 1065 F HN 0.690 nan 8.300 nan 0.000 0.599 1066 T N -3.727 110.124 114.554 -1.173 0.000 2.841 1066 T HA 0.805 5.155 4.350 -0.000 0.000 0.296 1066 T C -3.064 171.471 174.700 -0.276 0.000 1.166 1066 T CA -2.311 59.368 62.100 -0.702 0.000 1.007 1066 T CB 3.293 72.011 68.868 -0.250 0.000 1.253 1066 T HN -0.253 nan 8.240 nan 0.000 0.511 1067 P HA 0.282 nan 4.420 nan 0.000 0.269 1067 P C -2.344 175.019 177.300 0.105 0.000 1.215 1067 P CA -0.906 62.330 63.100 0.228 0.000 0.780 1067 P CB -0.243 31.588 31.700 0.219 0.000 0.898 1068 P HA 0.132 nan 4.420 nan 0.000 0.274 1068 P C -0.866 176.478 177.300 0.074 0.000 1.231 1068 P CA 0.018 63.164 63.100 0.078 0.000 0.790 1068 P CB 0.895 32.676 31.700 0.134 0.000 0.951 1069 Q N 1.442 121.262 119.800 0.032 0.000 2.387 1069 Q HA 0.436 4.776 4.340 -0.000 0.000 0.273 1069 Q C -2.405 173.624 176.000 0.049 0.000 1.089 1069 Q CA -2.275 53.552 55.803 0.041 0.000 0.824 1069 Q CB 1.532 30.276 28.738 0.010 0.000 1.367 1069 Q HN 0.315 nan 8.270 nan 0.000 0.443 1070 P HA -0.078 nan 4.420 nan 0.000 0.262 1070 P C -1.182 176.124 177.300 0.010 0.000 1.182 1070 P CA 0.329 63.500 63.100 0.118 0.000 0.761 1070 P CB 0.395 32.178 31.700 0.138 0.000 0.795 1071 A N 3.846 126.662 122.820 -0.007 0.000 2.498 1071 A HA 0.069 4.389 4.320 -0.000 0.000 0.239 1071 A C 0.534 177.956 177.584 -0.269 0.000 1.068 1071 A CA -0.129 51.846 52.037 -0.104 0.000 0.766 1071 A CB -0.111 18.894 19.000 0.008 0.000 1.003 1071 A HN 0.435 nan 8.150 nan 0.000 0.497 1072 E N 2.842 122.971 120.200 -0.118 0.000 2.376 1072 E HA 0.200 4.550 4.350 -0.000 0.000 0.266 1072 E C -2.039 174.524 176.600 -0.061 0.000 1.009 1072 E CA -1.594 54.748 56.400 -0.096 0.000 0.902 1072 E CB 0.132 29.827 29.700 -0.009 0.000 0.972 1072 E HN 0.491 nan 8.360 nan 0.000 0.439 1073 P HA 0.062 nan 4.420 nan 0.000 0.269 1073 P C -0.701 176.612 177.300 0.022 0.000 1.209 1073 P CA -0.152 62.847 63.100 -0.168 0.000 0.776 1073 P CB 0.284 31.912 31.700 -0.120 0.000 0.876 1074 W N 1.098 122.417 121.300 0.031 0.000 2.820 1074 W HA 0.684 5.344 4.660 -0.000 0.000 0.350 1074 W C -1.027 175.481 176.519 -0.020 0.000 1.116 1074 W CA -0.891 56.462 57.345 0.013 0.000 1.146 1074 W CB 0.220 29.712 29.460 0.053 0.000 1.433 1074 W HN 0.165 nan 8.180 nan 0.000 0.561 1075 S N 1.199 116.998 115.700 0.165 0.000 2.690 1075 S HA 0.732 5.202 4.470 -0.000 0.000 0.291 1075 S C -0.521 174.124 174.600 0.074 0.000 1.138 1075 S CA -0.445 57.679 58.200 -0.128 0.000 1.013 1075 S CB 0.644 63.538 63.200 -0.510 0.000 1.053 1075 S HN 0.641 nan 8.310 nan 0.000 0.539 1076 F N -1.453 118.606 119.950 0.181 0.000 2.183 1076 F HA -0.254 4.273 4.527 -0.000 0.000 0.318 1076 F C -0.233 175.713 175.800 0.244 0.000 0.131 1076 F CA -0.261 57.839 58.000 0.167 0.000 0.912 1076 F CB -0.820 38.257 39.000 0.128 0.000 4.135 1076 F HN 0.333 nan 8.300 nan 0.000 0.137 1077 V N 0.907 121.075 119.914 0.423 0.000 2.370 1077 V HA 0.287 4.407 4.120 -0.000 0.000 0.279 1077 V C -0.011 176.206 176.094 0.204 0.000 1.029 1077 V CA -0.684 61.798 62.300 0.303 0.000 0.870 1077 V CB 1.381 33.320 31.823 0.194 0.000 0.984 1077 V HN 0.480 nan 8.190 nan 0.000 0.451 1078 K N 4.245 124.739 120.400 0.157 0.000 2.310 1078 K HA 0.192 4.512 4.320 -0.000 0.000 0.290 1078 K C 0.175 176.753 176.600 -0.035 0.000 1.077 1078 K CA -0.352 55.863 56.287 -0.120 0.000 0.922 1078 K CB 0.226 32.357 32.500 -0.614 0.000 1.057 1078 K HN 0.665 nan 8.250 nan 0.000 0.479 1079 N N 3.294 121.963 118.700 -0.051 0.000 2.416 1079 N HA 0.029 4.769 4.740 -0.000 0.000 0.271 1079 N C -0.966 174.505 175.510 -0.065 0.000 1.245 1079 N CA 0.074 53.099 53.050 -0.041 0.000 0.940 1079 N CB 0.810 39.262 38.487 -0.058 0.000 1.175 1079 N HN 0.599 nan 8.380 nan 0.000 0.483 1080 A N 3.192 126.004 122.820 -0.014 0.000 3.249 1080 A HA 0.267 4.587 4.320 -0.000 0.000 0.297 1080 A C 0.464 177.990 177.584 -0.096 0.000 1.302 1080 A CA -0.479 51.547 52.037 -0.019 0.000 1.074 1080 A CB -0.534 18.552 19.000 0.144 0.000 1.132 1080 A HN 0.652 nan 8.150 nan 0.000 0.575 1081 T N -3.121 111.340 114.554 -0.155 0.000 3.571 1081 T HA 0.511 4.861 4.350 -0.000 0.000 0.292 1081 T C -0.156 174.384 174.700 -0.266 0.000 0.994 1081 T CA -0.177 61.791 62.100 -0.220 0.000 0.996 1081 T CB -0.263 68.495 68.868 -0.183 0.000 1.185 1081 T HN 0.155 nan 8.240 nan 0.000 0.482 1082 S N 0.295 115.818 115.700 -0.295 0.000 2.541 1082 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 1082 S C -1.535 172.866 174.600 -0.331 0.000 1.133 1082 S CA -0.769 57.252 58.200 -0.300 0.000 0.876 1082 S CB 0.995 64.087 63.200 -0.180 0.000 1.105 1082 S HN 0.376 nan 8.310 nan 0.000 0.470 1083 Y N 3.448 123.688 120.300 -0.099 0.000 2.442 1083 Y HA 0.255 4.805 4.550 0.000 0.000 0.330 1083 Y C -1.368 174.435 175.900 -0.161 0.000 1.129 1083 Y CA -1.276 56.765 58.100 -0.099 0.000 1.365 1083 Y CB -0.032 38.392 38.460 -0.060 0.000 1.233 1083 Y HN 0.408 nan 8.280 nan 0.000 0.529 1084 P HA 0.186 nan 4.420 nan 0.000 0.274 1084 P C -2.678 174.544 177.300 -0.130 0.000 1.260 1084 P CA -1.335 61.596 63.100 -0.280 0.000 0.793 1084 P CB 0.521 31.970 31.700 -0.419 0.000 1.048 1085 P HA 0.332 nan 4.420 nan 0.000 0.278 1085 P C -0.349 176.929 177.300 -0.036 0.000 1.266 1085 P CA -0.482 62.571 63.100 -0.077 0.000 0.807 1085 P CB 0.345 31.996 31.700 -0.082 0.000 1.094 1086 M N -0.100 119.465 119.600 -0.058 0.000 2.300 1086 M HA 0.433 4.913 4.480 -0.000 0.000 0.348 1086 M C -0.955 175.281 176.300 -0.107 0.000 1.151 1086 M CA -0.632 54.629 55.300 -0.066 0.000 1.046 1086 M CB 0.732 33.280 32.600 -0.087 0.000 1.647 1086 M HN 0.139 nan 8.290 nan 0.000 0.451 1087 c N 2.784 121.315 118.600 -0.116 0.000 2.465 1087 c HA 0.036 4.606 4.570 -0.000 0.000 0.402 1087 c C 0.952 174.861 174.090 -0.302 0.000 1.448 1087 c CA 0.060 56.265 56.329 -0.207 0.000 1.589 1087 c CB -1.005 41.403 42.510 -0.170 0.000 2.535 1087 c HN 0.892 nan 8.230 nan 0.000 0.600 1088 T N 4.944 119.182 114.554 -0.527 0.000 2.777 1088 T HA 0.148 4.498 4.350 -0.000 0.000 0.273 1088 T C 0.186 174.631 174.700 -0.426 0.000 1.016 1088 T CA 0.761 62.477 62.100 -0.639 0.000 1.156 1088 T CB -0.240 67.841 68.868 -1.312 0.000 1.019 1088 T HN 0.909 nan 8.240 nan 0.000 0.503 1089 Q N 1.302 120.998 119.800 -0.174 0.000 2.832 1089 Q HA 0.397 4.737 4.340 -0.000 0.000 0.331 1089 Q C -1.489 174.533 176.000 0.037 0.000 0.833 1089 Q CA -1.182 54.622 55.803 0.002 0.000 0.794 1089 Q CB 0.928 29.666 28.738 -0.001 0.000 1.387 1089 Q HN 0.366 nan 8.270 nan 0.000 0.508 1090 D N 2.006 122.450 120.400 0.074 0.000 2.346 1090 D HA 0.102 4.742 4.640 -0.000 0.000 0.260 1090 D C -1.374 174.937 176.300 0.018 0.000 1.252 1090 D CA -1.723 52.312 54.000 0.058 0.000 0.895 1090 D CB 1.168 42.009 40.800 0.070 0.000 1.097 1090 D HN 0.276 nan 8.370 nan 0.000 0.489 1091 P HA -0.214 nan 4.420 nan 0.000 0.214 1091 P C 1.102 178.392 177.300 -0.016 0.000 1.163 1091 P CA 1.304 64.394 63.100 -0.016 0.000 0.889 1091 P CB 0.520 32.209 31.700 -0.018 0.000 0.790 1092 K N 0.141 120.536 120.400 -0.008 0.000 1.978 1092 K HA -0.128 4.192 4.320 -0.000 0.000 0.214 1092 K C 2.502 179.093 176.600 -0.016 0.000 1.049 1092 K CA 1.758 58.038 56.287 -0.012 0.000 0.939 1092 K CB -1.005 31.491 32.500 -0.006 0.000 0.721 1092 K HN 0.016 nan 8.250 nan 0.000 0.441 1093 A N 1.374 124.190 122.820 -0.006 0.000 1.917 1093 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 1093 A C 2.433 180.006 177.584 -0.018 0.000 1.182 1093 A CA 2.297 54.329 52.037 -0.009 0.000 0.633 1093 A CB -1.472 17.537 19.000 0.016 0.000 0.819 1093 A HN 0.508 nan 8.150 nan 0.000 0.448 1094 G N -1.027 107.766 108.800 -0.011 0.000 2.453 1094 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.215 1094 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.215 1094 G C 1.623 176.498 174.900 -0.040 0.000 1.201 1094 G CA 1.153 46.241 45.100 -0.020 0.000 0.784 1094 G HN 0.670 nan 8.290 nan 0.000 0.545 1095 Q N -0.443 119.330 119.800 -0.044 0.000 2.152 1095 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 1095 Q C 2.425 178.391 176.000 -0.057 0.000 0.985 1095 Q CA 1.549 57.320 55.803 -0.053 0.000 0.863 1095 Q CB -0.262 28.448 28.738 -0.046 0.000 0.904 1095 Q HN 0.389 nan 8.270 nan 0.000 0.422 1096 L N 0.367 121.558 121.223 -0.053 0.000 2.093 1096 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 1096 L C 2.094 178.902 176.870 -0.105 0.000 1.085 1096 L CA 1.339 56.142 54.840 -0.063 0.000 0.755 1096 L CB -0.490 41.535 42.059 -0.056 0.000 0.904 1096 L HN 0.424 nan 8.230 nan 0.000 0.435 1097 L N -1.765 119.388 121.223 -0.117 0.000 2.291 1097 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 1097 L C 2.401 179.167 176.870 -0.174 0.000 1.120 1097 L CA 1.607 56.326 54.840 -0.201 0.000 0.799 1097 L CB -0.468 41.528 42.059 -0.105 0.000 0.925 1097 L HN 0.331 nan 8.230 nan 0.000 0.446 1098 S N -0.752 114.892 115.700 -0.094 0.000 2.371 1098 S HA -0.098 4.372 4.470 -0.000 0.000 0.221 1098 S C 1.789 176.333 174.600 -0.095 0.000 1.036 1098 S CA 0.904 59.052 58.200 -0.087 0.000 0.965 1098 S CB -0.145 63.001 63.200 -0.090 0.000 0.845 1098 S HN 0.578 nan 8.310 nan 0.000 0.475 1099 E N 0.507 120.663 120.200 -0.074 0.000 2.267 1099 E HA -0.085 4.265 4.350 -0.000 0.000 0.197 1099 E C 1.664 178.265 176.600 0.003 0.000 0.998 1099 E CA 0.920 57.297 56.400 -0.038 0.000 0.830 1099 E CB -0.091 29.595 29.700 -0.023 0.000 0.751 1099 E HN 0.492 nan 8.360 nan 0.000 0.491 1100 L N -1.080 120.120 121.223 -0.038 0.000 2.354 1100 L HA 0.046 4.386 4.340 -0.000 0.000 0.212 1100 L C 1.533 178.474 176.870 0.118 0.000 1.091 1100 L CA 0.142 54.993 54.840 0.018 0.000 0.828 1100 L CB 0.144 42.126 42.059 -0.129 0.000 0.973 1100 L HN 0.084 nan 8.230 nan 0.000 0.461 1101 F N -0.575 119.324 119.950 -0.085 0.000 2.559 1101 F HA 0.137 4.664 4.527 -0.000 0.000 0.286 1101 F C 1.664 177.082 175.800 -0.636 0.000 1.108 1101 F CA -0.425 57.372 58.000 -0.339 0.000 1.436 1101 F CB -0.510 38.318 39.000 -0.286 0.000 1.130 1101 F HN -0.213 nan 8.300 nan 0.000 0.584 1102 T N 2.327 116.705 114.554 -0.295 0.000 2.923 1102 T HA -0.098 4.252 4.350 -0.000 0.000 0.304 1102 T C 1.303 175.791 174.700 -0.355 0.000 1.044 1102 T CA 0.393 62.245 62.100 -0.414 0.000 1.141 1102 T CB 0.178 68.891 68.868 -0.259 0.000 1.023 1102 T HN 0.394 nan 8.240 nan 0.000 0.533 1103 N N 4.184 122.633 118.700 -0.418 0.000 2.254 1103 N HA -0.006 4.734 4.740 -0.000 0.000 0.190 1103 N C 0.350 175.735 175.510 -0.209 0.000 1.107 1103 N CA -0.206 52.668 53.050 -0.293 0.000 0.869 1103 N CB -0.012 38.306 38.487 -0.282 0.000 0.983 1103 N HN 0.703 nan 8.380 nan 0.000 0.487 1104 R N 0.716 121.103 120.500 -0.189 0.000 2.539 1104 R HA 0.230 4.570 4.340 -0.000 0.000 0.275 1104 R C 1.142 177.379 176.300 -0.106 0.000 1.077 1104 R CA -0.700 55.325 56.100 -0.125 0.000 1.097 1104 R CB 1.461 31.697 30.300 -0.106 0.000 1.018 1104 R HN -0.099 nan 8.270 nan 0.000 0.483 1105 K N 1.551 121.905 120.400 -0.078 0.000 2.052 1105 K HA -0.223 4.097 4.320 -0.000 0.000 0.215 1105 K C -0.227 176.345 176.600 -0.047 0.000 1.053 1105 K CA 1.756 58.008 56.287 -0.060 0.000 0.934 1105 K CB 0.136 32.619 32.500 -0.029 0.000 0.717 1105 K HN 0.716 nan 8.250 nan 0.000 0.450 1106 E N 0.796 120.969 120.200 -0.044 0.000 2.195 1106 E HA 0.121 4.471 4.350 -0.000 0.000 0.271 1106 E C -1.101 175.457 176.600 -0.070 0.000 0.923 1106 E CA -0.620 55.754 56.400 -0.043 0.000 0.790 1106 E CB 1.535 31.219 29.700 -0.027 0.000 1.155 1106 E HN 0.263 nan 8.360 nan 0.000 0.402 1107 N N 3.253 121.910 118.700 -0.072 0.000 2.497 1107 N HA 0.063 4.803 4.740 -0.000 0.000 0.271 1107 N C -0.565 174.877 175.510 -0.114 0.000 1.142 1107 N CA -0.514 52.475 53.050 -0.101 0.000 0.965 1107 N CB 0.524 38.962 38.487 -0.081 0.000 1.077 1107 N HN 0.299 nan 8.380 nan 0.000 0.462 1108 I N 5.450 125.915 120.570 -0.174 0.000 2.312 1108 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 1108 I C -1.828 174.192 176.117 -0.161 0.000 1.031 1108 I CA -2.375 58.805 61.300 -0.200 0.000 1.293 1108 I CB 0.346 38.099 38.000 -0.413 0.000 1.403 1108 I HN 0.427 nan 8.210 nan 0.000 0.484 1109 P HA 0.301 nan 4.420 nan 0.000 0.271 1109 P C -0.637 176.613 177.300 -0.082 0.000 1.220 1109 P CA -0.145 62.906 63.100 -0.081 0.000 0.768 1109 P CB 1.309 32.977 31.700 -0.054 0.000 0.848 1110 L N 2.097 123.271 121.223 -0.081 0.000 2.331 1110 L HA 0.571 4.911 4.340 -0.000 0.000 0.268 1110 L C 0.596 177.430 176.870 -0.060 0.000 1.015 1110 L CA -1.178 53.619 54.840 -0.072 0.000 0.807 1110 L CB 1.087 43.096 42.059 -0.083 0.000 1.293 1110 L HN 0.211 nan 8.230 nan 0.000 0.451 1111 K N 0.726 121.091 120.400 -0.058 0.000 2.203 1111 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 1111 K C -1.114 175.440 176.600 -0.076 0.000 0.944 1111 K CA -0.349 55.902 56.287 -0.061 0.000 0.829 1111 K CB 1.352 33.818 32.500 -0.056 0.000 1.125 1111 K HN 0.362 nan 8.250 nan 0.000 0.430 1112 L N 1.674 122.847 121.223 -0.083 0.000 2.312 1112 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 1112 L C -0.016 176.777 176.870 -0.129 0.000 1.070 1112 L CA -0.433 54.339 54.840 -0.114 0.000 0.805 1112 L CB 1.567 43.556 42.059 -0.116 0.000 1.174 1112 L HN 0.559 nan 8.230 nan 0.000 0.434 1113 S N 0.514 116.111 115.700 -0.172 0.000 2.565 1113 S HA 0.197 4.667 4.470 -0.000 0.000 0.274 1113 S C 0.053 174.502 174.600 -0.251 0.000 1.144 1113 S CA -0.607 57.490 58.200 -0.172 0.000 0.849 1113 S CB 1.547 64.688 63.200 -0.097 0.000 1.103 1113 S HN 0.738 nan 8.310 nan 0.000 0.455 1114 E N 0.723 120.767 120.200 -0.261 0.000 2.371 1114 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 1114 E C -0.419 176.072 176.600 -0.182 0.000 1.012 1114 E CA 0.278 56.488 56.400 -0.316 0.000 0.860 1114 E CB 0.169 29.725 29.700 -0.241 0.000 0.811 1114 E HN 0.451 nan 8.360 nan 0.000 0.502 1115 D N 0.435 120.772 120.400 -0.106 0.000 2.468 1115 D HA 0.023 4.663 4.640 -0.000 0.000 0.218 1115 D C -0.023 176.338 176.300 0.103 0.000 1.155 1115 D CA -0.404 53.578 54.000 -0.029 0.000 0.924 1115 D CB 0.156 40.970 40.800 0.024 0.000 1.029 1115 D HN 0.167 nan 8.370 nan 0.000 0.515 1116 c N 2.447 121.058 118.600 0.019 0.000 3.865 1116 c HA 0.356 4.926 4.570 -0.000 0.000 0.297 1116 c C 0.649 174.776 174.090 0.062 0.000 1.758 1116 c CA -0.640 55.779 56.329 0.149 0.000 1.778 1116 c CB -1.283 41.233 42.510 0.011 0.000 3.158 1116 c HN 0.447 nan 8.230 nan 0.000 0.598 1117 L N 2.551 123.559 121.223 -0.358 0.000 2.384 1117 L HA 0.373 4.713 4.340 -0.000 0.000 0.258 1117 L C -0.697 175.618 176.870 -0.925 0.000 1.266 1117 L CA 0.547 55.030 54.840 -0.595 0.000 1.162 1117 L CB -0.794 40.713 42.059 -0.920 0.000 1.375 1117 L HN 0.400 nan 8.230 nan 0.000 0.420 1118 Y N 1.719 122.024 120.300 0.007 0.000 2.662 1118 Y HA 0.742 5.292 4.550 -0.000 0.000 0.335 1118 Y C -0.155 175.901 175.900 0.260 0.000 1.066 1118 Y CA -1.333 56.818 58.100 0.084 0.000 1.116 1118 Y CB 1.753 40.205 38.460 -0.013 0.000 1.308 1118 Y HN 0.130 nan 8.280 nan 0.000 0.502 1119 L N -0.477 120.906 121.223 0.267 0.000 2.465 1119 L HA 0.725 5.065 4.340 -0.000 0.000 0.257 1119 L C -1.567 175.319 176.870 0.027 0.000 0.988 1119 L CA -1.157 53.745 54.840 0.103 0.000 0.827 1119 L CB 1.705 43.706 42.059 -0.097 0.000 1.397 1119 L HN 0.404 nan 8.230 nan 0.000 0.410 1120 N N 1.680 120.414 118.700 0.058 0.000 2.417 1120 N HA 0.777 5.517 4.740 -0.000 0.000 0.300 1120 N C -1.044 174.431 175.510 -0.058 0.000 1.102 1120 N CA -0.274 52.769 53.050 -0.013 0.000 0.886 1120 N CB 2.378 40.903 38.487 0.063 0.000 1.203 1120 N HN 0.707 nan 8.380 nan 0.000 0.496 1121 I N 0.979 121.430 120.570 -0.199 0.000 2.785 1121 I HA 0.391 4.561 4.170 -0.000 0.000 0.302 1121 I C -1.218 174.755 176.117 -0.241 0.000 1.069 1121 I CA -0.790 60.437 61.300 -0.121 0.000 1.045 1121 I CB 1.658 39.503 38.000 -0.259 0.000 1.236 1121 I HN 0.353 nan 8.210 nan 0.000 0.429 1122 Y N 2.200 122.606 120.300 0.178 0.000 2.344 1122 Y HA 0.367 4.917 4.550 0.000 0.000 0.328 1122 Y C -0.067 175.949 175.900 0.193 0.000 1.067 1122 Y CA -0.615 57.596 58.100 0.184 0.000 1.247 1122 Y CB 2.117 40.666 38.460 0.147 0.000 1.113 1122 Y HN 0.372 nan 8.280 nan 0.000 0.465 1123 T N 4.637 119.407 114.554 0.360 0.000 2.848 1123 T HA 0.386 4.736 4.350 -0.000 0.000 0.285 1123 T C -2.252 172.618 174.700 0.283 0.000 0.995 1123 T CA -2.357 59.931 62.100 0.313 0.000 0.970 1123 T CB 1.605 70.682 68.868 0.349 0.000 0.976 1123 T HN 0.336 nan 8.240 nan 0.000 0.441 1124 P HA 0.258 nan 4.420 nan 0.000 0.245 1124 P C 0.394 177.798 177.300 0.173 0.000 1.203 1124 P CA -0.093 63.112 63.100 0.174 0.000 0.792 1124 P CB 0.073 31.844 31.700 0.117 0.000 0.997 1125 A N 1.443 124.375 122.820 0.186 0.000 2.520 1125 A HA 0.021 4.341 4.320 -0.000 0.000 0.235 1125 A C 0.440 178.132 177.584 0.180 0.000 1.065 1125 A CA 0.098 52.233 52.037 0.163 0.000 0.764 1125 A CB -0.377 18.722 19.000 0.164 0.000 1.002 1125 A HN 0.101 nan 8.150 nan 0.000 0.502 1126 D N 2.898 123.379 120.400 0.135 0.000 2.422 1126 D HA 0.198 4.838 4.640 -0.000 0.000 0.227 1126 D C 0.983 177.361 176.300 0.129 0.000 1.190 1126 D CA -0.280 53.798 54.000 0.130 0.000 0.905 1126 D CB 0.331 41.179 40.800 0.080 0.000 1.034 1126 D HN 0.510 nan 8.370 nan 0.000 0.507 1127 L N 2.999 124.325 121.223 0.171 0.000 2.189 1127 L HA -0.212 4.128 4.340 -0.000 0.000 0.214 1127 L C 2.675 179.596 176.870 0.084 0.000 1.097 1127 L CA 1.542 56.459 54.840 0.129 0.000 0.764 1127 L CB -0.873 41.282 42.059 0.160 0.000 0.900 1127 L HN 0.473 nan 8.230 nan 0.000 0.436 1128 T N -2.390 112.219 114.554 0.091 0.000 2.867 1128 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 1128 T C 1.079 175.805 174.700 0.043 0.000 1.057 1128 T CA 0.574 62.711 62.100 0.062 0.000 1.136 1128 T CB 0.070 68.975 68.868 0.062 0.000 0.874 1128 T HN 0.033 nan 8.240 nan 0.000 0.466 1129 K N 1.741 122.169 120.400 0.047 0.000 2.110 1129 K HA 0.404 4.724 4.320 -0.000 0.000 0.263 1129 K C -0.291 176.330 176.600 0.034 0.000 0.975 1129 K CA -0.587 55.721 56.287 0.035 0.000 0.895 1129 K CB 1.417 33.939 32.500 0.036 0.000 1.060 1129 K HN 0.265 nan 8.250 nan 0.000 0.448 1130 K N 2.376 122.790 120.400 0.023 0.000 2.383 1130 K HA 0.116 4.436 4.320 -0.000 0.000 0.286 1130 K C -0.228 176.390 176.600 0.029 0.000 1.051 1130 K CA 0.067 56.366 56.287 0.020 0.000 0.974 1130 K CB 0.336 32.842 32.500 0.009 0.000 0.968 1130 K HN 0.379 nan 8.250 nan 0.000 0.475 1131 N N 2.192 120.915 118.700 0.039 0.000 2.238 1131 N HA 0.338 5.078 4.740 -0.000 0.000 0.302 1131 N C -0.785 174.754 175.510 0.048 0.000 1.072 1131 N CA -0.657 52.422 53.050 0.049 0.000 0.792 1131 N CB 1.642 40.171 38.487 0.071 0.000 1.425 1131 N HN 0.287 nan 8.380 nan 0.000 0.478 1132 R N 1.963 122.488 120.500 0.042 0.000 2.782 1132 R HA 0.363 4.703 4.340 -0.000 0.000 0.293 1132 R C -0.275 176.048 176.300 0.039 0.000 1.333 1132 R CA -0.330 55.792 56.100 0.037 0.000 1.479 1132 R CB -0.069 30.241 30.300 0.016 0.000 1.306 1132 R HN 0.509 nan 8.270 nan 0.000 0.654 1133 L N 2.351 123.610 121.223 0.060 0.000 2.464 1133 L HA 0.295 4.635 4.340 -0.000 0.000 0.264 1133 L C -1.549 175.356 176.870 0.058 0.000 1.199 1133 L CA -1.608 53.268 54.840 0.060 0.000 0.818 1133 L CB 0.058 42.166 42.059 0.081 0.000 1.102 1133 L HN -0.060 nan 8.230 nan 0.000 0.473 1134 P HA 0.081 nan 4.420 nan 0.000 0.269 1134 P C -0.894 176.447 177.300 0.069 0.000 1.209 1134 P CA -0.132 62.992 63.100 0.039 0.000 0.776 1134 P CB 1.111 32.820 31.700 0.015 0.000 0.876 1135 V N 3.989 123.953 119.914 0.083 0.000 2.513 1135 V HA 0.432 4.552 4.120 -0.000 0.000 0.299 1135 V C 0.530 176.695 176.094 0.119 0.000 1.035 1135 V CA -0.467 61.905 62.300 0.120 0.000 0.889 1135 V CB 1.474 33.382 31.823 0.142 0.000 0.988 1135 V HN 0.502 nan 8.190 nan 0.000 0.440 1136 M N 4.241 123.940 119.600 0.165 0.000 1.999 1136 M HA 0.399 4.879 4.480 -0.000 0.000 0.299 1136 M C -1.096 175.501 176.300 0.495 0.000 0.900 1136 M CA -0.455 54.974 55.300 0.216 0.000 0.904 1136 M CB 1.790 34.405 32.600 0.026 0.000 1.477 1136 M HN 0.410 nan 8.290 nan 0.000 0.403 1137 V N 3.060 123.236 119.914 0.436 0.000 2.455 1137 V HA 0.178 4.298 4.120 -0.000 0.000 0.273 1137 V C -0.353 175.985 176.094 0.407 0.000 1.045 1137 V CA -0.314 62.201 62.300 0.358 0.000 0.976 1137 V CB 0.567 32.486 31.823 0.160 0.000 0.993 1137 V HN 0.809 nan 8.190 nan 0.000 0.475 1138 W N 6.751 128.085 121.300 0.056 0.000 2.390 1138 W HA 0.612 5.272 4.660 -0.000 0.000 0.312 1138 W C -1.130 175.230 176.519 -0.264 0.000 1.123 1138 W CA -0.897 56.265 57.345 -0.305 0.000 1.202 1138 W CB 1.280 30.612 29.460 -0.213 0.000 1.251 1138 W HN 0.445 nan 8.180 nan 0.000 0.511 1139 I N 7.468 127.258 120.570 -1.299 0.000 2.382 1139 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 1139 I C 0.887 176.171 176.117 -1.387 0.000 1.007 1139 I CA -0.858 59.820 61.300 -1.037 0.000 1.142 1139 I CB 1.136 38.650 38.000 -0.810 0.000 1.289 1139 I HN 0.393 nan 8.210 nan 0.000 0.453 1140 H N 4.557 123.180 119.070 -0.745 0.000 2.671 1140 H HA 0.447 5.003 4.556 -0.000 0.000 0.372 1140 H C 0.049 175.299 175.328 -0.130 0.000 1.227 1140 H CA -0.447 55.322 56.048 -0.465 0.000 1.426 1140 H CB 1.035 30.740 29.762 -0.094 0.000 1.480 1140 H HN 0.630 nan 8.280 nan 0.000 0.611 1141 G N -1.657 107.254 108.800 0.185 0.000 2.531 1141 G HA2 0.446 4.406 3.960 -0.000 0.000 0.281 1141 G HA3 0.446 4.406 3.960 -0.000 0.000 0.281 1141 G C 0.356 175.515 174.900 0.431 0.000 1.382 1141 G CA -0.694 44.546 45.100 0.233 0.000 1.045 1141 G HN 1.220 nan 8.290 nan 0.000 0.533 1142 G N -2.683 106.318 108.800 0.334 0.000 2.192 1142 G HA2 0.383 4.343 3.960 -0.000 0.000 0.152 1142 G HA3 0.383 4.343 3.960 -0.000 0.000 0.152 1142 G C 1.035 176.030 174.900 0.157 0.000 1.057 1142 G CA 0.634 45.899 45.100 0.275 0.000 0.748 1142 G HN 2.303 nan 8.290 nan 0.000 0.488 1143 G N 0.205 109.069 108.800 0.107 0.000 2.361 1143 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.294 1143 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.294 1143 G C 1.164 176.034 174.900 -0.051 0.000 1.004 1143 G CA 0.735 45.841 45.100 0.009 0.000 0.870 1143 G HN 1.885 nan 8.290 nan 0.000 0.510 1144 L N -3.585 117.637 121.223 -0.003 0.000 3.976 1144 L HA -0.293 4.047 4.340 -0.000 0.000 0.418 1144 L C 1.927 178.819 176.870 0.037 0.000 1.177 1144 L CA 1.478 56.302 54.840 -0.027 0.000 0.968 1144 L CB -1.239 40.506 42.059 -0.524 0.000 1.933 1144 L HN 0.487 nan 8.230 nan 0.000 0.976 1145 M N -1.636 118.008 119.600 0.073 0.000 2.279 1145 M HA 0.313 4.793 4.480 -0.000 0.000 0.278 1145 M C 0.481 176.859 176.300 0.130 0.000 1.142 1145 M CA 0.810 56.181 55.300 0.117 0.000 1.119 1145 M CB 1.132 33.783 32.600 0.085 0.000 1.741 1145 M HN 0.158 nan 8.290 nan 0.000 0.601 1146 V N -2.194 117.790 119.914 0.117 0.000 3.206 1146 V HA 1.041 5.161 4.120 -0.000 0.000 0.305 1146 V C -0.205 175.963 176.094 0.123 0.000 1.257 1146 V CA -0.452 61.902 62.300 0.090 0.000 1.057 1146 V CB 1.235 33.102 31.823 0.074 0.000 1.075 1146 V HN 0.423 nan 8.190 nan 0.000 0.443 1147 G N -0.592 108.217 108.800 0.015 0.000 2.340 1147 G HA2 0.661 4.621 3.960 -0.000 0.000 0.527 1147 G HA3 0.661 4.621 3.960 -0.000 0.000 0.527 1147 G C -0.899 173.688 174.900 -0.523 0.000 1.381 1147 G CA 0.109 45.111 45.100 -0.163 0.000 1.001 1147 G HN 2.478 nan 8.290 nan 0.000 0.626 1148 A N -1.297 121.037 122.820 -0.810 0.000 2.594 1148 A HA 0.996 5.316 4.320 -0.000 0.000 0.296 1148 A C 0.571 178.040 177.584 -0.191 0.000 1.061 1148 A CA 0.586 52.364 52.037 -0.431 0.000 0.689 1148 A CB 0.954 19.859 19.000 -0.157 0.000 1.280 1148 A HN 2.527 nan 8.150 nan 0.000 0.406 1149 A N 0.372 123.228 122.820 0.059 0.000 2.021 1149 A HA 0.218 4.538 4.320 -0.000 0.000 0.216 1149 A C 1.934 179.691 177.584 0.287 0.000 1.163 1149 A CA 2.060 54.259 52.037 0.271 0.000 0.676 1149 A CB -0.440 18.740 19.000 0.301 0.000 0.818 1149 A HN 1.000 nan 8.150 nan 0.000 0.453 1150 S N -0.155 115.649 115.700 0.172 0.000 2.423 1150 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 1150 S C 1.926 176.529 174.600 0.005 0.000 1.014 1150 S CA 1.542 59.813 58.200 0.118 0.000 0.965 1150 S CB -0.387 62.813 63.200 -0.000 0.000 0.785 1150 S HN 0.689 nan 8.310 nan 0.000 0.495 1151 T N 1.005 115.565 114.554 0.009 0.000 2.737 1151 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 1151 T C 0.001 174.490 174.700 -0.353 0.000 1.040 1151 T CA 1.162 63.156 62.100 -0.177 0.000 1.142 1151 T CB -0.354 68.395 68.868 -0.199 0.000 0.861 1151 T HN 0.384 nan 8.240 nan 0.000 0.456 1152 Y N 2.193 122.346 120.300 -0.245 0.000 2.535 1152 Y HA 0.379 4.929 4.550 -0.000 0.000 0.349 1152 Y C 0.230 175.953 175.900 -0.295 0.000 0.992 1152 Y CA -2.336 55.459 58.100 -0.507 0.000 1.248 1152 Y CB -0.085 37.825 38.460 -0.916 0.000 1.124 1152 Y HN -0.025 nan 8.280 nan 0.000 0.520 1153 D N 2.314 122.598 120.400 -0.193 0.000 2.339 1153 D HA 0.115 4.755 4.640 -0.000 0.000 0.256 1153 D C 1.098 177.184 176.300 -0.355 0.000 1.214 1153 D CA 0.041 53.919 54.000 -0.204 0.000 0.877 1153 D CB 1.428 42.156 40.800 -0.120 0.000 1.111 1153 D HN 0.788 nan 8.370 nan 0.000 0.478 1154 G N 3.316 111.508 108.800 -1.012 0.000 2.985 1154 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.209 1154 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.209 1154 G C 1.302 175.898 174.900 -0.507 0.000 1.165 1154 G CA -0.031 44.658 45.100 -0.685 0.000 0.776 1154 G HN 0.507 nan 8.290 nan 0.000 0.541 1155 L N 1.742 122.672 121.223 -0.488 0.000 1.971 1155 L HA -0.009 4.331 4.340 -0.000 0.000 0.215 1155 L C 2.911 179.704 176.870 -0.129 0.000 1.072 1155 L CA 2.542 57.298 54.840 -0.140 0.000 0.758 1155 L CB -0.890 41.148 42.059 -0.034 0.000 0.889 1155 L HN 0.202 nan 8.230 nan 0.000 0.433 1156 A N -0.397 122.359 122.820 -0.106 0.000 1.852 1156 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 1156 A C 2.307 179.830 177.584 -0.102 0.000 1.215 1156 A CA 2.460 54.456 52.037 -0.069 0.000 0.641 1156 A CB -1.446 17.554 19.000 0.001 0.000 0.838 1156 A HN 0.563 nan 8.150 nan 0.000 0.450 1157 L N -0.335 120.809 121.223 -0.131 0.000 1.990 1157 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 1157 L C 2.736 179.548 176.870 -0.097 0.000 1.072 1157 L CA 2.662 57.411 54.840 -0.152 0.000 0.755 1157 L CB -1.001 40.922 42.059 -0.227 0.000 0.889 1157 L HN 0.435 nan 8.230 nan 0.000 0.432 1158 A N -0.554 122.223 122.820 -0.071 0.000 1.851 1158 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 1158 A C 2.469 180.007 177.584 -0.077 0.000 1.195 1158 A CA 2.515 54.543 52.037 -0.015 0.000 0.622 1158 A CB -1.461 17.580 19.000 0.068 0.000 0.831 1158 A HN 0.639 nan 8.150 nan 0.000 0.444 1159 A N -0.994 121.704 122.820 -0.203 0.000 1.859 1159 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 1159 A C 2.120 179.367 177.584 -0.562 0.000 1.198 1159 A CA 1.859 53.626 52.037 -0.450 0.000 0.629 1159 A CB -1.202 17.309 19.000 -0.816 0.000 0.830 1159 A HN 0.710 nan 8.150 nan 0.000 0.446 1160 H N -0.797 117.900 119.070 -0.621 0.000 2.290 1160 H HA -0.069 4.487 4.556 0.000 0.000 0.298 1160 H C 1.443 176.731 175.328 -0.066 0.000 1.087 1160 H CA 1.716 57.567 56.048 -0.328 0.000 1.291 1160 H CB 0.029 29.544 29.762 -0.411 0.000 1.369 1160 H HN 0.431 nan 8.280 nan 0.000 0.492 1161 E N 0.428 120.648 120.200 0.034 0.000 2.474 1161 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 1161 E C -0.016 176.608 176.600 0.040 0.000 1.039 1161 E CA -0.202 56.220 56.400 0.038 0.000 0.881 1161 E CB -0.267 29.441 29.700 0.013 0.000 0.970 1161 E HN 0.336 nan 8.360 nan 0.000 0.486 1162 N N 0.115 118.837 118.700 0.036 0.000 2.727 1162 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 1162 N C -0.727 174.819 175.510 0.059 0.000 1.040 1162 N CA 0.801 53.884 53.050 0.055 0.000 0.712 1162 N CB -1.110 37.416 38.487 0.065 0.000 0.912 1162 N HN 0.087 nan 8.380 nan 0.000 0.545 1163 V N -3.876 116.073 119.914 0.058 0.000 3.158 1163 V HA 0.808 4.928 4.120 -0.000 0.000 0.315 1163 V C 0.459 176.621 176.094 0.112 0.000 1.148 1163 V CA -0.934 61.410 62.300 0.072 0.000 1.042 1163 V CB 2.234 34.086 31.823 0.048 0.000 1.101 1163 V HN -0.139 nan 8.190 nan 0.000 0.448 1164 V N 2.067 122.060 119.914 0.132 0.000 2.288 1164 V HA 0.317 4.437 4.120 -0.000 0.000 0.266 1164 V C 0.073 176.289 176.094 0.203 0.000 1.048 1164 V CA -0.363 62.044 62.300 0.177 0.000 0.842 1164 V CB 0.783 32.710 31.823 0.173 0.000 1.064 1164 V HN 0.681 nan 8.190 nan 0.000 0.472 1165 V N 5.457 125.518 119.914 0.245 0.000 2.488 1165 V HA 0.271 4.391 4.120 -0.000 0.000 0.277 1165 V C 0.223 176.538 176.094 0.368 0.000 1.046 1165 V CA -0.250 62.235 62.300 0.308 0.000 0.986 1165 V CB 1.492 33.479 31.823 0.273 0.000 0.989 1165 V HN 0.537 nan 8.190 nan 0.000 0.475 1166 V N 4.749 124.871 119.914 0.346 0.000 2.327 1166 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 1166 V C 0.431 176.704 176.094 0.297 0.000 1.019 1166 V CA -0.527 61.934 62.300 0.268 0.000 0.814 1166 V CB 1.609 33.536 31.823 0.174 0.000 1.040 1166 V HN 1.045 nan 8.190 nan 0.000 0.440 1167 T N 3.804 118.570 114.554 0.353 0.000 2.851 1167 T HA 0.691 5.041 4.350 -0.000 0.000 0.298 1167 T C -0.177 174.661 174.700 0.229 0.000 0.977 1167 T CA -0.271 62.043 62.100 0.356 0.000 1.126 1167 T CB 0.988 70.107 68.868 0.419 0.000 0.916 1167 T HN 0.612 nan 8.240 nan 0.000 0.529 1168 I N -0.208 120.475 120.570 0.188 0.000 2.846 1168 I HA 0.666 4.836 4.170 -0.000 0.000 0.307 1168 I C -0.708 175.578 176.117 0.282 0.000 1.053 1168 I CA -1.399 59.981 61.300 0.133 0.000 1.050 1168 I CB 2.236 40.205 38.000 -0.052 0.000 1.239 1168 I HN 0.547 nan 8.210 nan 0.000 0.439 1169 Q N 2.290 122.301 119.800 0.351 0.000 2.387 1169 Q HA 0.564 4.904 4.340 -0.000 0.000 0.273 1169 Q C -1.947 174.358 176.000 0.508 0.000 1.089 1169 Q CA -0.819 55.246 55.803 0.437 0.000 0.824 1169 Q CB 2.886 31.815 28.738 0.319 0.000 1.367 1169 Q HN 0.697 nan 8.270 nan 0.000 0.443 1170 Y N -2.113 118.322 120.300 0.225 0.000 2.562 1170 Y HA 0.543 5.093 4.550 -0.000 0.000 0.345 1170 Y C -0.778 175.214 175.900 0.154 0.000 1.045 1170 Y CA -1.492 56.713 58.100 0.176 0.000 1.028 1170 Y CB 0.760 39.275 38.460 0.090 0.000 1.297 1170 Y HN 0.434 nan 8.280 nan 0.000 0.463 1171 R N 2.149 122.727 120.500 0.131 0.000 2.583 1171 R HA 0.325 4.665 4.340 -0.000 0.000 0.274 1171 R C -0.860 175.501 176.300 0.101 0.000 0.998 1171 R CA 0.289 56.431 56.100 0.071 0.000 1.081 1171 R CB 0.179 30.549 30.300 0.116 0.000 0.940 1171 R HN 0.723 nan 8.270 nan 0.000 0.413 1172 L N 1.356 122.670 121.223 0.152 0.000 2.286 1172 L HA 0.486 4.826 4.340 -0.000 0.000 0.265 1172 L C 1.339 178.508 176.870 0.498 0.000 1.012 1172 L CA -0.496 54.525 54.840 0.301 0.000 0.818 1172 L CB 1.487 43.617 42.059 0.118 0.000 1.337 1172 L HN 0.888 nan 8.230 nan 0.000 0.438 1173 G N 0.556 109.660 108.800 0.507 0.000 2.632 1173 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.322 1173 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.322 1173 G C 0.933 176.160 174.900 0.544 0.000 1.326 1173 G CA 0.724 46.107 45.100 0.471 0.000 0.986 1173 G HN 0.668 nan 8.290 nan 0.000 0.541 1174 I N -0.710 120.132 120.570 0.453 0.000 2.087 1174 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 1174 I C 2.847 179.240 176.117 0.460 0.000 1.054 1174 I CA 2.729 64.212 61.300 0.305 0.000 1.311 1174 I CB -0.446 37.468 38.000 -0.143 0.000 1.024 1174 I HN 0.579 nan 8.210 nan 0.000 0.402 1175 W N 0.717 122.226 121.300 0.348 0.000 2.342 1175 W HA -0.125 4.535 4.660 -0.000 0.000 0.297 1175 W C 2.367 179.052 176.519 0.277 0.000 1.213 1175 W CA 1.236 58.700 57.345 0.200 0.000 1.251 1175 W CB -0.827 28.638 29.460 0.008 0.000 1.136 1175 W HN 0.277 nan 8.180 nan 0.000 0.526 1176 G N -2.381 106.720 108.800 0.502 0.000 2.887 1176 G HA2 0.058 4.018 3.960 -0.000 0.000 0.211 1176 G HA3 0.058 4.018 3.960 -0.000 0.000 0.211 1176 G C 0.658 175.298 174.900 -0.434 0.000 1.152 1176 G CA 0.078 45.243 45.100 0.109 0.000 0.769 1176 G HN 0.152 nan 8.290 nan 0.000 0.541 1177 F N -1.074 119.129 119.950 0.422 0.000 2.960 1177 F HA 0.400 4.927 4.527 0.000 0.000 0.345 1177 F C 0.197 176.087 175.800 0.151 0.000 1.147 1177 F CA -1.575 56.512 58.000 0.145 0.000 1.099 1177 F CB 0.282 39.291 39.000 0.017 0.000 1.219 1177 F HN -0.008 nan 8.300 nan 0.000 0.525 1178 F N 1.970 122.108 119.950 0.312 0.000 2.578 1178 F HA 0.407 4.934 4.527 0.000 0.000 0.376 1178 F C 0.452 176.292 175.800 0.067 0.000 1.085 1178 F CA 0.473 58.533 58.000 0.101 0.000 1.260 1178 F CB 0.527 39.433 39.000 -0.156 0.000 1.095 1178 F HN -0.077 nan 8.300 nan 0.000 0.573 1179 S N 2.785 117.950 115.700 -0.891 0.000 2.564 1179 S HA 0.447 4.917 4.470 -0.000 0.000 0.274 1179 S C 0.268 174.405 174.600 -0.772 0.000 1.124 1179 S CA -0.050 57.763 58.200 -0.644 0.000 0.869 1179 S CB 1.582 64.584 63.200 -0.331 0.000 1.105 1179 S HN 0.821 nan 8.310 nan 0.000 0.472 1180 T N -0.370 113.948 114.554 -0.393 0.000 3.001 1180 T HA 0.463 4.813 4.350 -0.000 0.000 0.251 1180 T C 1.388 176.012 174.700 -0.128 0.000 1.040 1180 T CA 0.792 62.754 62.100 -0.231 0.000 0.985 1180 T CB 0.303 69.142 68.868 -0.049 0.000 1.011 1180 T HN 1.788 nan 8.240 nan 0.000 0.509 1181 G N 2.091 110.816 108.800 -0.125 0.000 2.213 1181 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.226 1181 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.226 1181 G C -0.255 174.608 174.900 -0.061 0.000 0.992 1181 G CA 0.202 45.250 45.100 -0.088 0.000 0.632 1181 G HN 0.875 nan 8.290 nan 0.000 0.511 1182 D N -0.756 119.617 120.400 -0.044 0.000 2.758 1182 D HA 0.498 5.138 4.640 -0.000 0.000 0.262 1182 D C 1.323 177.586 176.300 -0.061 0.000 1.113 1182 D CA -0.012 53.957 54.000 -0.052 0.000 1.114 1182 D CB -0.234 40.540 40.800 -0.044 0.000 1.363 1182 D HN 0.094 nan 8.370 nan 0.000 0.617 1183 E N -0.362 119.754 120.200 -0.141 0.000 2.472 1183 E HA -0.200 4.150 4.350 -0.000 0.000 0.200 1183 E C 0.573 177.111 176.600 -0.104 0.000 1.046 1183 E CA 0.983 57.301 56.400 -0.137 0.000 0.871 1183 E CB -0.502 29.088 29.700 -0.182 0.000 0.806 1183 E HN 0.472 nan 8.360 nan 0.000 0.533 1184 H N 0.344 119.471 119.070 0.094 0.000 2.548 1184 H HA 0.208 4.764 4.556 -0.000 0.000 0.268 1184 H C 0.256 175.700 175.328 0.194 0.000 0.975 1184 H CA 0.764 56.886 56.048 0.123 0.000 1.195 1184 H CB 0.638 30.457 29.762 0.095 0.000 1.397 1184 H HN 0.107 nan 8.280 nan 0.000 0.572 1185 S N -0.136 115.745 115.700 0.301 0.000 2.855 1185 S HA 0.160 4.630 4.470 -0.000 0.000 0.140 1185 S C 0.900 175.625 174.600 0.208 0.000 1.025 1185 S CA -0.541 57.917 58.200 0.430 0.000 1.053 1185 S CB 0.029 63.445 63.200 0.361 0.000 1.695 1185 S HN 0.174 nan 8.310 nan 0.000 0.502 1186 R N 1.354 121.929 120.500 0.124 0.000 2.115 1186 R HA 0.127 4.467 4.340 -0.000 0.000 0.239 1186 R C 1.436 177.520 176.300 -0.359 0.000 1.133 1186 R CA 1.696 57.721 56.100 -0.126 0.000 0.935 1186 R CB -0.337 29.880 30.300 -0.138 0.000 0.853 1186 R HN 0.841 nan 8.270 nan 0.000 0.433 1187 G N -1.330 106.921 108.800 -0.915 0.000 2.362 1187 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.517 1187 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.517 1187 G C -0.829 173.280 174.900 -1.318 0.000 1.256 1187 G CA -0.351 44.032 45.100 -1.195 0.000 1.027 1187 G HN 0.270 nan 8.290 nan 0.000 0.491 1188 N N -1.009 117.229 118.700 -0.771 0.000 2.747 1188 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 1188 N C 1.187 176.388 175.510 -0.514 0.000 1.107 1188 N CA 1.856 54.659 53.050 -0.411 0.000 0.707 1188 N CB -1.528 36.906 38.487 -0.088 0.000 1.054 1188 N HN 0.693 nan 8.380 nan 0.000 0.555 1189 W N 0.560 121.679 121.300 -0.301 0.000 2.335 1189 W HA -0.127 4.533 4.660 0.000 0.000 0.311 1189 W C 2.515 178.873 176.519 -0.268 0.000 1.213 1189 W CA 0.819 58.045 57.345 -0.199 0.000 1.274 1189 W CB -0.756 28.636 29.460 -0.113 0.000 1.148 1189 W HN 0.297 nan 8.180 nan 0.000 0.498 1190 G N 0.192 108.694 108.800 -0.496 0.000 2.476 1190 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 1190 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 1190 G C 1.211 176.102 174.900 -0.015 0.000 1.164 1190 G CA 1.567 46.521 45.100 -0.243 0.000 0.768 1190 G HN 0.305 nan 8.290 nan 0.000 0.560 1191 H N 0.262 119.343 119.070 0.018 0.000 2.389 1191 H HA 0.079 4.635 4.556 -0.000 0.000 0.299 1191 H C 2.776 178.108 175.328 0.007 0.000 1.081 1191 H CA 0.852 56.901 56.048 0.001 0.000 1.345 1191 H CB -0.467 29.300 29.762 0.010 0.000 1.393 1191 H HN 0.265 nan 8.280 nan 0.000 0.520 1192 L N 0.629 121.944 121.223 0.154 0.000 2.042 1192 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 1192 L C 2.182 179.159 176.870 0.179 0.000 1.076 1192 L CA 1.181 56.116 54.840 0.158 0.000 0.749 1192 L CB -0.260 41.922 42.059 0.204 0.000 0.893 1192 L HN 0.194 nan 8.230 nan 0.000 0.432 1193 D N -0.302 120.224 120.400 0.210 0.000 2.092 1193 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 1193 D C 2.174 178.602 176.300 0.213 0.000 0.994 1193 D CA 1.270 55.453 54.000 0.306 0.000 0.828 1193 D CB -0.255 40.755 40.800 0.349 0.000 0.963 1193 D HN 0.410 nan 8.370 nan 0.000 0.450 1194 Q N 0.397 120.255 119.800 0.097 0.000 2.062 1194 Q HA -0.155 4.185 4.340 -0.000 0.000 0.209 1194 Q C 2.489 178.441 176.000 -0.079 0.000 0.996 1194 Q CA 1.264 57.025 55.803 -0.070 0.000 0.859 1194 Q CB -0.153 28.497 28.738 -0.146 0.000 0.920 1194 Q HN 0.131 nan 8.270 nan 0.000 0.415 1195 V N 0.795 120.708 119.914 -0.003 0.000 2.287 1195 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 1195 V C 2.271 178.391 176.094 0.043 0.000 1.053 1195 V CA 1.831 64.140 62.300 0.014 0.000 1.027 1195 V CB -1.172 30.682 31.823 0.052 0.000 0.646 1195 V HN 0.476 nan 8.190 nan 0.000 0.447 1196 A N 0.151 123.035 122.820 0.106 0.000 1.892 1196 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 1196 A C 2.448 180.090 177.584 0.095 0.000 1.188 1196 A CA 2.627 54.778 52.037 0.189 0.000 0.631 1196 A CB -0.982 18.235 19.000 0.363 0.000 0.822 1196 A HN 0.637 nan 8.150 nan 0.000 0.447 1197 A N -0.583 122.072 122.820 -0.275 0.000 1.940 1197 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 1197 A C 2.167 179.679 177.584 -0.119 0.000 1.176 1197 A CA 1.576 53.239 52.037 -0.624 0.000 0.631 1197 A CB -0.579 17.809 19.000 -1.019 0.000 0.814 1197 A HN 0.501 nan 8.150 nan 0.000 0.446 1198 L N -1.484 119.703 121.223 -0.060 0.000 2.201 1198 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 1198 L C 2.720 179.646 176.870 0.093 0.000 1.105 1198 L CA 1.376 56.233 54.840 0.030 0.000 0.775 1198 L CB -0.330 41.736 42.059 0.011 0.000 0.913 1198 L HN 0.439 nan 8.230 nan 0.000 0.440 1199 R N -0.842 119.722 120.500 0.108 0.000 2.193 1199 R HA -0.182 4.158 4.340 -0.000 0.000 0.213 1199 R C 2.112 178.504 176.300 0.153 0.000 1.055 1199 R CA 0.811 56.980 56.100 0.115 0.000 0.995 1199 R CB -0.124 30.247 30.300 0.118 0.000 0.893 1199 R HN 0.389 nan 8.270 nan 0.000 0.459 1200 W N -0.148 121.173 121.300 0.035 0.000 2.444 1200 W HA -0.112 4.548 4.660 -0.000 0.000 0.308 1200 W C 1.598 178.144 176.519 0.044 0.000 1.183 1200 W CA 0.957 58.343 57.345 0.068 0.000 1.340 1200 W CB -0.249 29.278 29.460 0.111 0.000 1.138 1200 W HN -0.209 nan 8.180 nan 0.000 0.510 1201 V N 1.493 121.694 119.914 0.478 0.000 2.380 1201 V HA -0.382 3.738 4.120 -0.000 0.000 0.251 1201 V C 2.535 178.678 176.094 0.082 0.000 1.063 1201 V CA 2.104 64.607 62.300 0.339 0.000 1.055 1201 V CB -1.090 30.889 31.823 0.260 0.000 0.657 1201 V HN 0.288 nan 8.190 nan 0.000 0.455 1202 Q N -0.002 119.830 119.800 0.054 0.000 2.030 1202 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 1202 Q C 1.906 177.865 176.000 -0.069 0.000 0.986 1202 Q CA 1.842 57.653 55.803 0.013 0.000 0.843 1202 Q CB -0.467 28.285 28.738 0.024 0.000 0.904 1202 Q HN 0.692 nan 8.270 nan 0.000 0.420 1203 D N -0.439 119.869 120.400 -0.154 0.000 2.340 1203 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 1203 D C 0.845 176.931 176.300 -0.357 0.000 1.039 1203 D CA 0.218 54.084 54.000 -0.225 0.000 0.866 1203 D CB 0.254 40.918 40.800 -0.225 0.000 0.913 1203 D HN 0.253 nan 8.370 nan 0.000 0.523 1204 N N 0.111 118.532 118.700 -0.465 0.000 2.430 1204 N HA -0.004 4.736 4.740 -0.000 0.000 0.235 1204 N C 1.673 177.086 175.510 -0.162 0.000 1.108 1204 N CA -0.274 52.437 53.050 -0.564 0.000 0.834 1204 N CB 0.537 38.105 38.487 -1.532 0.000 1.430 1204 N HN -0.035 nan 8.380 nan 0.000 0.463 1205 I N 2.908 123.464 120.570 -0.024 0.000 2.381 1205 I HA -0.221 3.949 4.170 -0.000 0.000 0.255 1205 I C 2.178 178.408 176.117 0.189 0.000 1.140 1205 I CA 0.741 62.165 61.300 0.206 0.000 1.404 1205 I CB -0.472 37.628 38.000 0.167 0.000 1.075 1205 I HN 0.110 nan 8.210 nan 0.000 0.433 1206 A N -1.293 121.562 122.820 0.057 0.000 1.978 1206 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 1206 A C 2.420 180.002 177.584 -0.003 0.000 1.170 1206 A CA 2.028 54.080 52.037 0.024 0.000 0.636 1206 A CB -0.849 18.136 19.000 -0.024 0.000 0.810 1206 A HN 0.433 nan 8.150 nan 0.000 0.448 1207 S N -1.486 114.173 115.700 -0.069 0.000 2.561 1207 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 1207 S C 0.422 174.786 174.600 -0.394 0.000 0.977 1207 S CA 0.448 58.496 58.200 -0.254 0.000 0.926 1207 S CB -0.357 62.597 63.200 -0.409 0.000 0.769 1207 S HN 0.571 nan 8.310 nan 0.000 0.533 1208 F N 0.320 120.252 119.950 -0.030 0.000 2.668 1208 F HA 0.371 4.898 4.527 0.000 0.000 0.301 1208 F C 1.563 177.402 175.800 0.066 0.000 1.106 1208 F CA -0.099 57.901 58.000 0.001 0.000 1.289 1208 F CB 0.384 39.377 39.000 -0.012 0.000 1.006 1208 F HN 0.188 nan 8.300 nan 0.000 0.535 1209 G N 0.319 109.222 108.800 0.173 0.000 2.179 1209 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 1209 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 1209 G C 0.728 175.709 174.900 0.136 0.000 0.977 1209 G CA -0.162 45.022 45.100 0.140 0.000 0.641 1209 G HN 0.741 nan 8.290 nan 0.000 0.533 1210 G N -0.428 108.468 108.800 0.159 0.000 2.580 1210 G HA2 0.487 4.447 3.960 -0.000 0.000 0.278 1210 G HA3 0.487 4.447 3.960 -0.000 0.000 0.278 1210 G C -0.200 174.753 174.900 0.087 0.000 1.212 1210 G CA 0.124 45.303 45.100 0.132 0.000 0.939 1210 G HN 0.821 nan 8.290 nan 0.000 0.513 1211 N N 0.257 119.000 118.700 0.071 0.000 2.626 1211 N HA 0.349 5.089 4.740 -0.000 0.000 0.249 1211 N C -1.190 174.348 175.510 0.047 0.000 1.021 1211 N CA -1.877 51.196 53.050 0.038 0.000 0.886 1211 N CB 2.232 40.726 38.487 0.011 0.000 1.149 1211 N HN 0.081 nan 8.380 nan 0.000 0.517 1212 P HA -0.104 nan 4.420 nan 0.000 0.220 1212 P C 1.084 178.457 177.300 0.121 0.000 1.144 1212 P CA 1.001 64.155 63.100 0.090 0.000 0.800 1212 P CB 0.127 31.860 31.700 0.055 0.000 0.772 1213 G N -0.918 107.876 108.800 -0.011 0.000 2.679 1213 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.212 1213 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.212 1213 G C 0.572 175.100 174.900 -0.620 0.000 1.137 1213 G CA 0.245 45.221 45.100 -0.207 0.000 0.787 1213 G HN 0.412 nan 8.290 nan 0.000 0.534 1214 S N -0.236 115.327 115.700 -0.229 0.000 2.496 1214 S HA 0.508 4.978 4.470 -0.000 0.000 0.221 1214 S C -1.144 173.552 174.600 0.160 0.000 1.260 1214 S CA -0.500 57.618 58.200 -0.136 0.000 1.181 1214 S CB 0.806 63.935 63.200 -0.118 0.000 1.136 1214 S HN -0.027 nan 8.310 nan 0.000 0.467 1215 V N 4.173 124.364 119.914 0.462 0.000 2.444 1215 V HA 0.543 4.663 4.120 -0.000 0.000 0.294 1215 V C -0.012 176.197 176.094 0.192 0.000 1.022 1215 V CA -0.571 61.885 62.300 0.260 0.000 0.850 1215 V CB 1.956 33.916 31.823 0.228 0.000 0.992 1215 V HN 0.737 nan 8.190 nan 0.000 0.426 1216 T N 6.524 121.146 114.554 0.115 0.000 2.758 1216 T HA 0.611 4.961 4.350 -0.000 0.000 0.285 1216 T C -0.063 174.716 174.700 0.131 0.000 0.981 1216 T CA -0.151 61.988 62.100 0.066 0.000 0.965 1216 T CB 0.701 69.531 68.868 -0.063 0.000 0.927 1216 T HN 0.618 nan 8.240 nan 0.000 0.448 1217 I N 1.265 121.903 120.570 0.112 0.000 2.566 1217 I HA 0.927 5.097 4.170 -0.000 0.000 0.303 1217 I C -0.890 175.399 176.117 0.286 0.000 0.983 1217 I CA -1.094 60.284 61.300 0.131 0.000 1.235 1217 I CB 1.330 39.193 38.000 -0.229 0.000 1.386 1217 I HN 0.551 nan 8.210 nan 0.000 0.494 1218 F N 1.806 121.701 119.950 -0.092 0.000 2.708 1218 F HA 0.896 5.423 4.527 -0.000 0.000 0.309 1218 F C -0.627 174.998 175.800 -0.292 0.000 1.120 1218 F CA -0.976 56.993 58.000 -0.052 0.000 0.978 1218 F CB 0.705 39.811 39.000 0.175 0.000 1.283 1218 F HN 0.880 nan 8.300 nan 0.000 0.439 1219 G N 0.609 109.127 108.800 -0.471 0.000 2.721 1219 G HA2 0.574 4.534 3.960 -0.000 0.000 0.296 1219 G HA3 0.574 4.534 3.960 -0.000 0.000 0.296 1219 G C -2.356 172.276 174.900 -0.446 0.000 1.383 1219 G CA -0.748 43.701 45.100 -1.086 0.000 0.788 1219 G HN 0.876 nan 8.290 nan 0.000 0.500 1220 E N -0.147 119.817 120.200 -0.394 0.000 2.292 1220 E HA 0.574 4.924 4.350 -0.000 0.000 0.272 1220 E C 0.287 176.902 176.600 0.024 0.000 0.881 1220 E CA 0.319 56.699 56.400 -0.033 0.000 0.754 1220 E CB 2.173 31.939 29.700 0.110 0.000 1.201 1220 E HN 1.109 nan 8.360 nan 0.000 0.425 1221 S N 2.915 118.720 115.700 0.176 0.000 3.790 1221 S HA -0.368 4.102 4.470 -0.000 0.000 0.628 1221 S C 1.447 176.106 174.600 0.099 0.000 2.348 1221 S CA 2.000 60.381 58.200 0.302 0.000 3.927 1221 S CB -1.622 61.830 63.200 0.420 0.000 0.236 1221 S HN 1.186 nan 8.310 nan 0.000 0.953 1222 A N 0.803 123.668 122.820 0.075 0.000 2.042 1222 A HA 0.050 4.370 4.320 -0.000 0.000 0.222 1222 A C 2.490 180.012 177.584 -0.103 0.000 1.167 1222 A CA 2.729 54.756 52.037 -0.017 0.000 0.649 1222 A CB -1.670 17.337 19.000 0.010 0.000 0.809 1222 A HN 1.771 nan 8.150 nan 0.000 0.457 1223 G N -1.068 107.632 108.800 -0.167 0.000 2.430 1223 G HA2 0.149 4.109 3.960 -0.000 0.000 0.216 1223 G HA3 0.149 4.109 3.960 -0.000 0.000 0.216 1223 G C 1.449 176.143 174.900 -0.343 0.000 1.146 1223 G CA 1.093 45.965 45.100 -0.380 0.000 0.793 1223 G HN 0.669 nan 8.290 nan 0.000 0.537 1224 G N 0.518 109.195 108.800 -0.204 0.000 2.404 1224 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 1224 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 1224 G C 1.541 176.370 174.900 -0.118 0.000 1.174 1224 G CA 1.108 46.135 45.100 -0.122 0.000 0.780 1224 G HN 0.410 nan 8.290 nan 0.000 0.537 1225 E N 0.830 120.968 120.200 -0.102 0.000 2.118 1225 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 1225 E C 2.554 179.053 176.600 -0.167 0.000 0.992 1225 E CA 1.301 57.632 56.400 -0.116 0.000 0.804 1225 E CB -0.321 29.317 29.700 -0.104 0.000 0.741 1225 E HN 0.319 nan 8.360 nan 0.000 0.458 1226 S N -0.219 115.370 115.700 -0.186 0.000 2.382 1226 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 1226 S C 2.031 176.427 174.600 -0.341 0.000 1.027 1226 S CA 1.071 59.134 58.200 -0.229 0.000 0.991 1226 S CB -0.051 62.984 63.200 -0.275 0.000 0.823 1226 S HN 0.168 nan 8.310 nan 0.000 0.469 1227 V N 0.748 120.454 119.914 -0.347 0.000 2.427 1227 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 1227 V C 2.457 178.289 176.094 -0.435 0.000 1.051 1227 V CA 1.816 63.858 62.300 -0.430 0.000 1.048 1227 V CB -0.696 30.910 31.823 -0.362 0.000 0.666 1227 V HN 0.512 nan 8.190 nan 0.000 0.456 1228 S N -0.395 115.137 115.700 -0.279 0.000 2.402 1228 S HA -0.126 4.344 4.470 -0.000 0.000 0.229 1228 S C 1.910 176.368 174.600 -0.237 0.000 1.021 1228 S CA 1.490 59.569 58.200 -0.202 0.000 0.974 1228 S CB -0.079 63.083 63.200 -0.064 0.000 0.800 1228 S HN 0.350 nan 8.310 nan 0.000 0.484 1229 V N 1.681 121.426 119.914 -0.281 0.000 2.667 1229 V HA -0.011 4.109 4.120 -0.000 0.000 0.252 1229 V C 2.155 178.075 176.094 -0.289 0.000 1.065 1229 V CA 1.239 63.357 62.300 -0.304 0.000 1.083 1229 V CB -0.510 31.018 31.823 -0.493 0.000 0.692 1229 V HN 0.455 nan 8.190 nan 0.000 0.468 1230 L N -0.886 120.124 121.223 -0.355 0.000 2.240 1230 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 1230 L C 2.431 179.180 176.870 -0.202 0.000 1.106 1230 L CA 0.714 55.349 54.840 -0.341 0.000 0.793 1230 L CB -0.327 41.388 42.059 -0.573 0.000 0.927 1230 L HN 0.228 nan 8.230 nan 0.000 0.446 1231 V N 0.112 119.900 119.914 -0.209 0.000 2.453 1231 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 1231 V C 2.113 178.324 176.094 0.195 0.000 1.048 1231 V CA 1.514 63.847 62.300 0.056 0.000 1.049 1231 V CB 0.072 31.798 31.823 -0.162 0.000 0.672 1231 V HN 0.337 nan 8.190 nan 0.000 0.457 1232 L N -0.233 121.024 121.223 0.056 0.000 2.341 1232 L HA 0.098 4.438 4.340 -0.000 0.000 0.214 1232 L C 1.414 178.377 176.870 0.154 0.000 1.115 1232 L CA 0.572 55.492 54.840 0.133 0.000 0.820 1232 L CB -0.197 41.878 42.059 0.027 0.000 0.944 1232 L HN 0.262 nan 8.230 nan 0.000 0.452 1233 S N -0.321 115.436 115.700 0.096 0.000 2.523 1233 S HA 0.192 4.662 4.470 -0.000 0.000 0.275 1233 S C -1.525 173.186 174.600 0.185 0.000 1.281 1233 S CA -1.399 56.853 58.200 0.088 0.000 1.050 1233 S CB 1.260 64.461 63.200 0.001 0.000 0.937 1233 S HN -0.110 nan 8.310 nan 0.000 0.492 1234 P HA -0.035 nan 4.420 nan 0.000 0.216 1234 P C 1.230 178.612 177.300 0.137 0.000 1.153 1234 P CA 1.004 64.186 63.100 0.137 0.000 0.848 1234 P CB -0.013 31.729 31.700 0.070 0.000 0.787 1235 L N -1.303 119.978 121.223 0.096 0.000 2.349 1235 L HA -0.123 4.217 4.340 -0.000 0.000 0.220 1235 L C 2.075 178.998 176.870 0.089 0.000 1.130 1235 L CA 1.230 56.118 54.840 0.080 0.000 0.791 1235 L CB -1.086 41.010 42.059 0.061 0.000 0.918 1235 L HN -0.030 nan 8.230 nan 0.000 0.444 1236 A N -0.481 122.406 122.820 0.111 0.000 2.251 1236 A HA 0.001 4.321 4.320 -0.000 0.000 0.209 1236 A C 1.008 178.647 177.584 0.090 0.000 1.187 1236 A CA -0.226 51.876 52.037 0.108 0.000 0.823 1236 A CB -0.177 18.917 19.000 0.157 0.000 0.846 1236 A HN 0.091 nan 8.150 nan 0.000 0.486 1237 K N 2.283 122.799 120.400 0.194 0.000 2.401 1237 K HA -0.114 4.206 4.320 -0.000 0.000 0.267 1237 K C 0.052 176.697 176.600 0.075 0.000 1.140 1237 K CA 0.779 57.213 56.287 0.245 0.000 1.199 1237 K CB -0.796 31.774 32.500 0.117 0.000 0.822 1237 K HN 0.434 nan 8.250 nan 0.000 0.488 1238 N N 2.719 121.417 118.700 -0.002 0.000 2.776 1238 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 1238 N C -0.063 175.353 175.510 -0.156 0.000 1.112 1238 N CA 1.107 54.096 53.050 -0.103 0.000 0.733 1238 N CB -1.144 37.333 38.487 -0.016 0.000 1.097 1238 N HN 0.542 nan 8.380 nan 0.000 0.558 1239 L N -1.359 119.748 121.223 -0.192 0.000 2.470 1239 L HA 0.229 4.569 4.340 -0.000 0.000 0.219 1239 L C 0.628 177.461 176.870 -0.062 0.000 1.071 1239 L CA 0.517 55.327 54.840 -0.050 0.000 0.850 1239 L CB 0.046 42.162 42.059 0.095 0.000 1.040 1239 L HN 0.151 nan 8.230 nan 0.000 0.475 1240 F N -4.000 115.697 119.950 -0.421 0.000 2.650 1240 F HA 0.509 5.036 4.527 -0.000 0.000 0.320 1240 F C 0.685 176.091 175.800 -0.656 0.000 1.091 1240 F CA -1.004 56.734 58.000 -0.437 0.000 0.962 1240 F CB 0.717 39.563 39.000 -0.256 0.000 1.363 1240 F HN -0.131 nan 8.300 nan 0.000 0.482 1241 H N -0.492 118.581 119.070 0.005 0.000 3.241 1241 H HA 0.387 4.943 4.556 -0.000 0.000 0.260 1241 H C -0.367 174.924 175.328 -0.061 0.000 1.084 1241 H CA -0.084 55.904 56.048 -0.101 0.000 1.203 1241 H CB 0.753 30.467 29.762 -0.079 0.000 1.524 1241 H HN 0.390 nan 8.280 nan 0.000 0.521 1242 R N 0.598 121.164 120.500 0.109 0.000 2.680 1242 R HA 0.760 5.100 4.340 -0.000 0.000 0.269 1242 R C -1.104 175.278 176.300 0.137 0.000 1.026 1242 R CA -0.804 55.292 56.100 -0.006 0.000 0.889 1242 R CB 2.034 32.112 30.300 -0.371 0.000 1.241 1242 R HN 0.076 nan 8.270 nan 0.000 0.463 1243 A N 1.682 124.587 122.820 0.142 0.000 2.498 1243 A HA 0.861 5.181 4.320 -0.000 0.000 0.298 1243 A C -0.969 176.751 177.584 0.227 0.000 1.075 1243 A CA -0.821 51.213 52.037 -0.005 0.000 0.714 1243 A CB 1.562 20.281 19.000 -0.469 0.000 1.299 1243 A HN 0.611 nan 8.150 nan 0.000 0.407 1244 I N 1.509 122.175 120.570 0.160 0.000 2.531 1244 I HA 0.218 4.388 4.170 -0.000 0.000 0.283 1244 I C -0.427 175.818 176.117 0.214 0.000 1.083 1244 I CA -0.157 61.258 61.300 0.190 0.000 1.071 1244 I CB 2.130 40.147 38.000 0.028 0.000 1.210 1244 I HN 0.469 nan 8.210 nan 0.000 0.450 1245 S N 5.312 121.181 115.700 0.281 0.000 2.420 1245 S HA 0.329 4.799 4.470 -0.000 0.000 0.313 1245 S C -0.275 174.404 174.600 0.131 0.000 1.079 1245 S CA -0.593 57.708 58.200 0.168 0.000 1.104 1245 S CB 0.680 64.001 63.200 0.202 0.000 0.969 1245 S HN 0.461 nan 8.310 nan 0.000 0.471 1246 E N 1.870 122.175 120.200 0.174 0.000 2.081 1246 E HA 0.312 4.662 4.350 -0.000 0.000 0.276 1246 E C -0.332 176.357 176.600 0.149 0.000 0.950 1246 E CA -0.529 56.012 56.400 0.234 0.000 0.776 1246 E CB 0.928 30.866 29.700 0.396 0.000 1.094 1246 E HN 0.619 nan 8.360 nan 0.000 0.402 1247 S N 1.822 117.601 115.700 0.131 0.000 3.711 1247 S HA -0.144 4.326 4.470 -0.000 0.000 0.374 1247 S C 0.043 174.905 174.600 0.436 0.000 0.969 1247 S CA 0.527 58.881 58.200 0.258 0.000 1.198 1247 S CB -1.126 62.090 63.200 0.027 0.000 0.903 1247 S HN 0.932 nan 8.310 nan 0.000 0.493 1248 G N -0.949 107.991 108.800 0.232 0.000 2.318 1248 G HA2 0.550 4.510 3.960 -0.000 0.000 0.306 1248 G HA3 0.550 4.510 3.960 -0.000 0.000 0.306 1248 G C -0.943 173.953 174.900 -0.006 0.000 1.696 1248 G CA 0.156 45.316 45.100 0.100 0.000 0.905 1248 G HN 1.520 nan 8.290 nan 0.000 0.700 1249 V N -1.252 118.618 119.914 -0.074 0.000 3.258 1249 V HA 0.877 4.997 4.120 -0.000 0.000 0.299 1249 V C 1.231 177.255 176.094 -0.116 0.000 1.376 1249 V CA -0.095 62.156 62.300 -0.081 0.000 1.063 1249 V CB 1.013 32.786 31.823 -0.083 0.000 1.103 1249 V HN 2.241 nan 8.190 nan 0.000 0.451 1250 A N 0.013 122.768 122.820 -0.108 0.000 2.186 1250 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 1250 A C 1.378 178.892 177.584 -0.116 0.000 1.159 1250 A CA 1.851 53.819 52.037 -0.117 0.000 0.680 1250 A CB -0.745 18.191 19.000 -0.106 0.000 0.787 1250 A HN 0.900 nan 8.150 nan 0.000 0.467 1251 L N -0.689 120.462 121.223 -0.119 0.000 2.700 1251 L HA 0.088 4.428 4.340 -0.000 0.000 0.234 1251 L C 0.379 177.148 176.870 -0.167 0.000 1.156 1251 L CA -0.052 54.715 54.840 -0.121 0.000 0.946 1251 L CB -0.003 42.002 42.059 -0.090 0.000 1.216 1251 L HN 0.064 nan 8.230 nan 0.000 0.493 1252 T N 0.339 114.771 114.554 -0.203 0.000 3.820 1252 T HA 0.003 4.353 4.350 -0.000 0.000 0.224 1252 T C 1.619 176.160 174.700 -0.265 0.000 0.869 1252 T CA 0.594 62.522 62.100 -0.286 0.000 0.932 1252 T CB -0.231 68.434 68.868 -0.337 0.000 1.259 1252 T HN 0.538 nan 8.240 nan 0.000 0.676 1253 S N 0.820 116.378 115.700 -0.236 0.000 2.642 1253 S HA -0.299 4.171 4.470 -0.000 0.000 0.330 1253 S C 1.996 176.458 174.600 -0.230 0.000 1.309 1253 S CA 1.866 59.927 58.200 -0.232 0.000 1.141 1253 S CB -1.318 61.722 63.200 -0.266 0.000 1.210 1253 S HN 0.479 nan 8.310 nan 0.000 0.440 1254 V N 1.513 121.278 119.914 -0.248 0.000 2.546 1254 V HA -0.078 4.042 4.120 -0.000 0.000 0.254 1254 V C 2.106 178.082 176.094 -0.195 0.000 1.076 1254 V CA 2.319 64.489 62.300 -0.217 0.000 1.087 1254 V CB -0.508 31.192 31.823 -0.205 0.000 0.674 1254 V HN 0.670 nan 8.190 nan 0.000 0.470 1255 L N -0.978 120.125 121.223 -0.200 0.000 2.554 1255 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 1255 L C 0.432 177.192 176.870 -0.183 0.000 1.104 1255 L CA -0.094 54.629 54.840 -0.195 0.000 0.866 1255 L CB 0.625 42.573 42.059 -0.184 0.000 1.047 1255 L HN 0.067 nan 8.230 nan 0.000 0.468 1256 V N 0.936 120.752 119.914 -0.163 0.000 2.483 1256 V HA 0.312 4.432 4.120 -0.000 0.000 0.295 1256 V C -0.113 175.903 176.094 -0.130 0.000 1.035 1256 V CA -0.788 61.432 62.300 -0.133 0.000 0.896 1256 V CB 1.855 33.605 31.823 -0.122 0.000 0.986 1256 V HN 0.010 nan 8.190 nan 0.000 0.447 1257 K N 4.523 124.857 120.400 -0.110 0.000 2.293 1257 K HA 0.548 4.868 4.320 -0.000 0.000 0.267 1257 K C -0.660 175.888 176.600 -0.086 0.000 1.010 1257 K CA -0.433 55.793 56.287 -0.102 0.000 0.875 1257 K CB 1.752 34.192 32.500 -0.100 0.000 1.106 1257 K HN 0.560 nan 8.250 nan 0.000 0.450 1258 K N 0.515 120.865 120.400 -0.083 0.000 2.259 1258 K HA 0.689 5.009 4.320 -0.000 0.000 0.249 1258 K C 0.154 176.719 176.600 -0.058 0.000 0.942 1258 K CA -0.459 55.786 56.287 -0.069 0.000 0.816 1258 K CB 1.933 34.390 32.500 -0.072 0.000 1.155 1258 K HN 0.759 nan 8.250 nan 0.000 0.428 1259 G N 1.617 110.387 108.800 -0.049 0.000 2.428 1259 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.202 1259 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.202 1259 G C -1.521 173.354 174.900 -0.041 0.000 1.247 1259 G CA -0.714 44.363 45.100 -0.039 0.000 1.020 1259 G HN 0.617 nan 8.290 nan 0.000 0.529 1260 D N 0.619 120.999 120.400 -0.034 0.000 2.365 1260 D HA 0.445 5.085 4.640 -0.000 0.000 0.237 1260 D C 1.770 178.043 176.300 -0.045 0.000 1.190 1260 D CA 0.498 54.476 54.000 -0.037 0.000 0.867 1260 D CB 1.190 41.975 40.800 -0.025 0.000 1.050 1260 D HN 1.163 nan 8.370 nan 0.000 0.491 1261 V N 2.238 122.112 119.914 -0.065 0.000 3.306 1261 V HA 0.019 4.139 4.120 -0.000 0.000 0.264 1261 V C 2.114 178.156 176.094 -0.086 0.000 1.149 1261 V CA 0.596 62.846 62.300 -0.084 0.000 1.143 1261 V CB -0.416 31.335 31.823 -0.121 0.000 0.767 1261 V HN 0.268 nan 8.190 nan 0.000 0.476 1262 K N 2.096 122.454 120.400 -0.070 0.000 2.059 1262 K HA -0.121 4.199 4.320 -0.000 0.000 0.212 1262 K C -0.092 176.489 176.600 -0.032 0.000 1.050 1262 K CA 2.602 58.855 56.287 -0.055 0.000 0.927 1262 K CB -1.732 30.748 32.500 -0.032 0.000 0.714 1262 K HN 0.462 nan 8.250 nan 0.000 0.447 1263 P HA -0.148 nan 4.420 nan 0.000 0.218 1263 P C 1.331 178.637 177.300 0.010 0.000 1.148 1263 P CA 0.998 64.098 63.100 -0.001 0.000 0.822 1263 P CB 0.061 31.761 31.700 0.000 0.000 0.784 1264 L N -1.107 120.114 121.223 -0.003 0.000 2.044 1264 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 1264 L C 2.235 179.129 176.870 0.041 0.000 1.075 1264 L CA 1.457 56.311 54.840 0.024 0.000 0.747 1264 L CB -0.833 41.225 42.059 -0.002 0.000 0.903 1264 L HN -0.052 nan 8.230 nan 0.000 0.435 1265 A N 0.042 122.840 122.820 -0.037 0.000 1.917 1265 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 1265 A C 1.992 179.658 177.584 0.137 0.000 1.182 1265 A CA 2.077 54.101 52.037 -0.021 0.000 0.633 1265 A CB -0.515 18.357 19.000 -0.214 0.000 0.819 1265 A HN 0.595 nan 8.150 nan 0.000 0.448 1266 E N -1.159 119.084 120.200 0.071 0.000 2.152 1266 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 1266 E C 2.192 178.835 176.600 0.071 0.000 0.983 1266 E CA 1.046 57.489 56.400 0.071 0.000 0.818 1266 E CB -0.149 29.575 29.700 0.041 0.000 0.758 1266 E HN 0.766 nan 8.360 nan 0.000 0.467 1267 Q N 1.249 121.092 119.800 0.072 0.000 2.030 1267 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 1267 Q C 2.022 178.071 176.000 0.082 0.000 0.986 1267 Q CA 1.601 57.445 55.803 0.069 0.000 0.843 1267 Q CB -0.093 28.694 28.738 0.081 0.000 0.904 1267 Q HN 0.277 nan 8.270 nan 0.000 0.420 1268 I N -0.004 120.646 120.570 0.134 0.000 2.133 1268 I HA -0.277 3.893 4.170 -0.000 0.000 0.238 1268 I C 2.365 178.524 176.117 0.070 0.000 1.074 1268 I CA 0.883 62.264 61.300 0.134 0.000 1.342 1268 I CB -0.673 37.477 38.000 0.250 0.000 1.053 1268 I HN 0.355 nan 8.210 nan 0.000 0.404 1269 A N 1.464 124.345 122.820 0.101 0.000 1.869 1269 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 1269 A C 2.296 179.890 177.584 0.017 0.000 1.203 1269 A CA 2.111 54.173 52.037 0.041 0.000 0.638 1269 A CB -1.195 17.856 19.000 0.086 0.000 0.831 1269 A HN 0.423 nan 8.150 nan 0.000 0.450 1270 I N -0.523 120.066 120.570 0.030 0.000 2.194 1270 I HA -0.271 3.899 4.170 -0.000 0.000 0.246 1270 I C 2.564 178.683 176.117 0.003 0.000 1.093 1270 I CA 1.864 63.173 61.300 0.016 0.000 1.355 1270 I CB -0.740 37.272 38.000 0.019 0.000 1.046 1270 I HN 0.305 nan 8.210 nan 0.000 0.413 1271 T N 0.623 115.178 114.554 0.002 0.000 2.788 1271 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 1271 T C 1.743 176.428 174.700 -0.025 0.000 1.044 1271 T CA 1.404 63.495 62.100 -0.014 0.000 1.139 1271 T CB -0.230 68.624 68.868 -0.023 0.000 0.867 1271 T HN 0.494 nan 8.240 nan 0.000 0.454 1272 A N 0.272 123.074 122.820 -0.030 0.000 2.259 1272 A HA 0.524 4.843 4.320 -0.000 0.000 0.208 1272 A C 1.753 179.316 177.584 -0.035 0.000 1.201 1272 A CA 0.656 52.668 52.037 -0.042 0.000 0.824 1272 A CB -0.783 18.176 19.000 -0.068 0.000 0.838 1272 A HN 0.725 nan 8.150 nan 0.000 0.485 1273 G N -1.982 106.803 108.800 -0.024 0.000 2.132 1273 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.228 1273 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.228 1273 G C 0.165 175.055 174.900 -0.016 0.000 1.000 1273 G CA 0.031 45.120 45.100 -0.018 0.000 0.693 1273 G HN 0.581 nan 8.290 nan 0.000 0.515 1274 c N 0.067 118.658 118.600 -0.015 0.000 2.354 1274 c HA 0.805 5.375 4.570 -0.000 0.000 0.381 1274 c C 0.970 175.063 174.090 0.005 0.000 1.240 1274 c CA -0.715 55.609 56.329 -0.008 0.000 2.089 1274 c CB 1.468 43.968 42.510 -0.017 0.000 2.234 1274 c HN 0.560 nan 8.230 nan 0.000 0.544 1275 K N 0.012 120.420 120.400 0.013 0.000 2.267 1275 K HA 0.578 4.898 4.320 -0.000 0.000 0.236 1275 K C -0.004 176.612 176.600 0.026 0.000 1.030 1275 K CA -0.213 56.085 56.287 0.017 0.000 0.930 1275 K CB 0.583 33.094 32.500 0.018 0.000 1.182 1275 K HN 0.784 nan 8.250 nan 0.000 0.474 1276 T N -2.845 111.724 114.554 0.026 0.000 3.460 1276 T HA 0.071 4.421 4.350 -0.000 0.000 0.304 1276 T C 0.909 175.625 174.700 0.026 0.000 0.991 1276 T CA -0.461 61.658 62.100 0.033 0.000 0.975 1276 T CB -0.061 68.827 68.868 0.034 0.000 1.196 1276 T HN 0.466 nan 8.240 nan 0.000 0.490 1277 T N 2.723 117.289 114.554 0.020 0.000 2.624 1277 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 1277 T C 1.299 176.008 174.700 0.014 0.000 1.041 1277 T CA 2.169 64.277 62.100 0.013 0.000 1.159 1277 T CB -0.470 68.403 68.868 0.008 0.000 0.863 1277 T HN 0.829 nan 8.240 nan 0.000 0.434 1278 T N -2.468 112.095 114.554 0.014 0.000 2.696 1278 T HA 0.536 4.886 4.350 -0.000 0.000 0.291 1278 T C 0.998 175.716 174.700 0.030 0.000 1.095 1278 T CA -0.443 61.667 62.100 0.018 0.000 1.026 1278 T CB 1.680 70.546 68.868 -0.002 0.000 1.390 1278 T HN -0.157 nan 8.240 nan 0.000 0.513 1279 S N -0.538 115.193 115.700 0.053 0.000 2.436 1279 S HA 0.180 4.650 4.470 -0.000 0.000 0.228 1279 S C 2.177 176.797 174.600 0.034 0.000 1.014 1279 S CA 0.832 59.086 58.200 0.091 0.000 0.950 1279 S CB -0.788 62.523 63.200 0.185 0.000 0.784 1279 S HN 0.804 nan 8.310 nan 0.000 0.504 1280 A N 0.723 123.456 122.820 -0.146 0.000 1.898 1280 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 1280 A C 2.193 179.729 177.584 -0.081 0.000 1.183 1280 A CA 0.988 52.844 52.037 -0.302 0.000 0.622 1280 A CB -0.804 17.845 19.000 -0.585 0.000 0.824 1280 A HN 0.321 nan 8.150 nan 0.000 0.444 1281 V N -0.027 119.858 119.914 -0.048 0.000 2.392 1281 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 1281 V C 2.612 178.743 176.094 0.062 0.000 1.059 1281 V CA 2.359 64.668 62.300 0.015 0.000 1.051 1281 V CB -0.681 31.145 31.823 0.006 0.000 0.658 1281 V HN 0.583 nan 8.190 nan 0.000 0.455 1282 M N -0.699 118.935 119.600 0.057 0.000 2.086 1282 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 1282 M C 2.090 178.424 176.300 0.056 0.000 1.067 1282 M CA 1.724 57.069 55.300 0.075 0.000 1.116 1282 M CB -0.282 32.398 32.600 0.133 0.000 1.348 1282 M HN 0.271 nan 8.290 nan 0.000 0.407 1283 V N -1.191 118.780 119.914 0.095 0.000 2.427 1283 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 1283 V C 2.139 178.294 176.094 0.102 0.000 1.051 1283 V CA 2.137 64.486 62.300 0.083 0.000 1.048 1283 V CB -1.231 30.690 31.823 0.163 0.000 0.666 1283 V HN 0.497 nan 8.190 nan 0.000 0.456 1284 H N -0.567 118.508 119.070 0.008 0.000 2.389 1284 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 1284 H C 2.294 177.619 175.328 -0.006 0.000 1.081 1284 H CA 2.037 58.086 56.048 0.001 0.000 1.345 1284 H CB -0.428 29.323 29.762 -0.019 0.000 1.393 1284 H HN 0.451 nan 8.280 nan 0.000 0.520 1285 c N -0.375 118.211 118.600 -0.024 0.000 2.476 1285 c HA -0.001 4.569 4.570 -0.000 0.000 0.278 1285 c C 2.709 176.734 174.090 -0.109 0.000 1.274 1285 c CA 0.701 56.979 56.329 -0.086 0.000 1.713 1285 c CB -1.333 41.163 42.510 -0.024 0.000 2.039 1285 c HN 0.640 nan 8.230 nan 0.000 0.484 1286 L N 0.501 121.669 121.223 -0.092 0.000 2.093 1286 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 1286 L C 2.957 179.816 176.870 -0.019 0.000 1.085 1286 L CA 1.281 56.071 54.840 -0.083 0.000 0.755 1286 L CB -0.695 41.241 42.059 -0.204 0.000 0.904 1286 L HN 0.311 nan 8.230 nan 0.000 0.435 1287 R N 0.090 120.594 120.500 0.006 0.000 2.200 1287 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 1287 R C 1.613 177.825 176.300 -0.146 0.000 1.127 1287 R CA 1.019 57.071 56.100 -0.080 0.000 0.989 1287 R CB -0.205 30.066 30.300 -0.049 0.000 0.869 1287 R HN 0.566 nan 8.270 nan 0.000 0.459 1288 Q N -0.073 119.626 119.800 -0.167 0.000 2.282 1288 Q HA 0.097 4.437 4.340 -0.000 0.000 0.206 1288 Q C -0.236 175.700 176.000 -0.107 0.000 0.878 1288 Q CA 0.076 55.786 55.803 -0.155 0.000 0.944 1288 Q CB 0.703 29.316 28.738 -0.209 0.000 1.100 1288 Q HN -0.051 nan 8.270 nan 0.000 0.509 1289 K N 1.965 122.306 120.400 -0.099 0.000 2.174 1289 K HA 0.158 4.478 4.320 -0.000 0.000 0.275 1289 K C 0.359 176.931 176.600 -0.047 0.000 1.015 1289 K CA -0.053 56.190 56.287 -0.072 0.000 0.933 1289 K CB 1.150 33.600 32.500 -0.084 0.000 1.025 1289 K HN 0.127 nan 8.250 nan 0.000 0.463 1290 T N -1.884 112.658 114.554 -0.019 0.000 2.802 1290 T HA 0.013 4.363 4.350 -0.000 0.000 0.305 1290 T C 1.343 176.087 174.700 0.073 0.000 1.053 1290 T CA -0.387 61.721 62.100 0.014 0.000 1.058 1290 T CB 0.897 69.772 68.868 0.012 0.000 0.988 1290 T HN 0.634 nan 8.240 nan 0.000 0.539 1291 E N 0.113 120.382 120.200 0.115 0.000 2.097 1291 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 1291 E C 1.924 178.668 176.600 0.239 0.000 1.000 1291 E CA 1.685 58.229 56.400 0.240 0.000 0.804 1291 E CB -0.094 29.673 29.700 0.112 0.000 0.740 1291 E HN 0.839 nan 8.360 nan 0.000 0.454 1292 E N 0.882 121.152 120.200 0.117 0.000 2.077 1292 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 1292 E C 1.688 178.341 176.600 0.087 0.000 0.989 1292 E CA 1.833 58.288 56.400 0.091 0.000 0.800 1292 E CB -0.028 29.698 29.700 0.043 0.000 0.746 1292 E HN 0.378 nan 8.360 nan 0.000 0.452 1293 E N 0.136 120.371 120.200 0.058 0.000 2.072 1293 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 1293 E C 2.239 178.849 176.600 0.017 0.000 0.985 1293 E CA 1.050 57.464 56.400 0.023 0.000 0.801 1293 E CB -0.200 29.496 29.700 -0.007 0.000 0.750 1293 E HN 0.306 nan 8.360 nan 0.000 0.452 1294 L N 0.693 121.929 121.223 0.022 0.000 2.265 1294 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 1294 L C 2.406 179.306 176.870 0.049 0.000 1.117 1294 L CA 0.306 55.080 54.840 -0.109 0.000 0.782 1294 L CB -0.200 41.636 42.059 -0.370 0.000 0.914 1294 L HN 0.184 nan 8.230 nan 0.000 0.441 1295 L N -0.292 121.093 121.223 0.270 0.000 2.102 1295 L HA -0.087 4.253 4.340 -0.000 0.000 0.202 1295 L C 2.299 179.248 176.870 0.132 0.000 1.076 1295 L CA 1.583 56.611 54.840 0.313 0.000 0.761 1295 L CB -0.362 41.855 42.059 0.263 0.000 0.921 1295 L HN 0.115 nan 8.230 nan 0.000 0.444 1296 E N -1.121 119.123 120.200 0.074 0.000 2.209 1296 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 1296 E C 1.816 178.411 176.600 -0.009 0.000 0.993 1296 E CA 1.603 58.017 56.400 0.024 0.000 0.819 1296 E CB -0.027 29.680 29.700 0.011 0.000 0.745 1296 E HN 0.531 nan 8.360 nan 0.000 0.477 1297 T N 0.001 114.547 114.554 -0.014 0.000 2.770 1297 T HA -0.109 4.241 4.350 -0.000 0.000 0.263 1297 T C 1.972 176.617 174.700 -0.092 0.000 1.039 1297 T CA 1.544 63.611 62.100 -0.055 0.000 1.142 1297 T CB -0.346 68.484 68.868 -0.062 0.000 0.868 1297 T HN 0.177 nan 8.240 nan 0.000 0.435 1298 T N 2.697 117.238 114.554 -0.021 0.000 2.699 1298 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 1298 T C 1.963 176.569 174.700 -0.157 0.000 1.036 1298 T CA 1.007 63.094 62.100 -0.022 0.000 1.147 1298 T CB -0.507 68.498 68.868 0.228 0.000 0.862 1298 T HN 0.226 nan 8.240 nan 0.000 0.446 1299 L N 0.311 121.498 121.223 -0.060 0.000 2.027 1299 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 1299 L C 2.722 179.516 176.870 -0.126 0.000 1.074 1299 L CA 1.400 56.199 54.840 -0.068 0.000 0.745 1299 L CB -0.429 41.619 42.059 -0.018 0.000 0.898 1299 L HN 0.205 nan 8.230 nan 0.000 0.433 1300 K N -0.578 119.747 120.400 -0.125 0.000 2.147 1300 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 1300 K C 1.976 178.456 176.600 -0.200 0.000 1.049 1300 K CA 1.091 57.302 56.287 -0.126 0.000 0.936 1300 K CB -0.081 32.364 32.500 -0.093 0.000 0.722 1300 K HN 0.243 nan 8.250 nan 0.000 0.446 1301 M N 0.870 120.252 119.600 -0.364 0.000 2.557 1301 M HA -0.033 4.447 4.480 -0.000 0.000 0.259 1301 M C 0.060 176.041 176.300 -0.532 0.000 1.086 1301 M CA 0.739 55.699 55.300 -0.567 0.000 1.096 1301 M CB -0.456 31.419 32.600 -1.208 0.000 1.424 1301 M HN 0.033 nan 8.290 nan 0.000 0.488 1302 K N 1.467 121.646 120.400 -0.368 0.000 4.040 1302 K HA -0.174 4.146 4.320 -0.000 0.000 0.279 1302 K C -0.708 175.867 176.600 -0.042 0.000 0.890 1302 K CA 0.505 56.697 56.287 -0.158 0.000 0.782 1302 K CB -1.610 30.845 32.500 -0.075 0.000 1.613 1302 K HN 0.271 nan 8.250 nan 0.000 0.440 1303 F N 1.431 121.401 119.950 0.034 0.000 2.403 1303 F HA 0.066 4.593 4.527 -0.000 0.000 0.320 1303 F C 1.846 177.662 175.800 0.027 0.000 1.176 1303 F CA -1.224 56.797 58.000 0.033 0.000 1.206 1303 F CB 0.413 39.443 39.000 0.050 0.000 1.235 1303 F HN 0.102 nan 8.300 nan 0.000 0.565 1304 L N 0.950 122.320 121.223 0.246 0.000 3.737 1304 L HA -0.261 4.079 4.340 -0.000 0.000 0.418 1304 L C -0.191 176.741 176.870 0.103 0.000 1.216 1304 L CA 0.728 55.642 54.840 0.124 0.000 0.915 1304 L CB -2.946 39.170 42.059 0.096 0.000 1.834 1304 L HN 0.582 nan 8.230 nan 0.000 0.943 1305 S N -0.608 115.160 115.700 0.114 0.000 2.541 1305 S HA 0.705 5.175 4.470 -0.000 0.000 0.280 1305 S C -0.524 174.128 174.600 0.087 0.000 1.112 1305 S CA -0.761 57.493 58.200 0.089 0.000 0.925 1305 S CB 1.965 65.204 63.200 0.064 0.000 1.067 1305 S HN 0.211 nan 8.310 nan 0.000 0.479 1306 L N 3.783 125.058 121.223 0.088 0.000 2.410 1306 L HA 0.411 4.751 4.340 -0.000 0.000 0.273 1306 L C -0.287 176.581 176.870 -0.003 0.000 1.144 1306 L CA 0.279 55.145 54.840 0.044 0.000 0.863 1306 L CB 0.548 42.598 42.059 -0.016 0.000 1.140 1306 L HN 0.602 nan 8.230 nan 0.000 0.463 1307 D N 4.384 124.777 120.400 -0.010 0.000 2.339 1307 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 1307 D C 0.804 177.074 176.300 -0.049 0.000 1.183 1307 D CA 0.070 54.057 54.000 -0.022 0.000 0.859 1307 D CB 0.741 41.532 40.800 -0.015 0.000 1.067 1307 D HN 0.588 nan 8.370 nan 0.000 0.484 1308 L N 2.169 123.367 121.223 -0.042 0.000 2.558 1308 L HA 0.102 4.442 4.340 -0.000 0.000 0.225 1308 L C 1.128 177.983 176.870 -0.026 0.000 1.128 1308 L CA 0.361 55.176 54.840 -0.042 0.000 0.868 1308 L CB -0.012 42.026 42.059 -0.035 0.000 1.006 1308 L HN 0.348 nan 8.230 nan 0.000 0.454 1309 Q N 0.538 120.324 119.800 -0.023 0.000 2.340 1309 Q HA 0.527 4.867 4.340 -0.000 0.000 0.268 1309 Q C -0.179 175.811 176.000 -0.018 0.000 1.031 1309 Q CA 0.425 56.221 55.803 -0.012 0.000 0.804 1309 Q CB 2.481 31.215 28.738 -0.007 0.000 1.286 1309 Q HN 0.240 nan 8.270 nan 0.000 0.448 1310 G N 3.178 111.973 108.800 -0.009 0.000 2.631 1310 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.504 1310 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.504 1310 G C -1.057 173.825 174.900 -0.030 0.000 1.306 1310 G CA -0.408 44.685 45.100 -0.012 0.000 0.897 1310 G HN 0.633 nan 8.290 nan 0.000 0.520 1311 D N 0.597 120.977 120.400 -0.033 0.000 2.348 1311 D HA 0.393 5.033 4.640 -0.000 0.000 0.253 1311 D C -0.854 175.342 176.300 -0.173 0.000 1.161 1311 D CA -1.510 52.450 54.000 -0.067 0.000 0.876 1311 D CB 1.444 42.227 40.800 -0.028 0.000 1.160 1311 D HN -0.000 nan 8.370 nan 0.000 0.459 1312 P HA -0.048 nan 4.420 nan 0.000 0.218 1312 P C 1.108 178.256 177.300 -0.253 0.000 1.148 1312 P CA 0.894 63.722 63.100 -0.455 0.000 0.822 1312 P CB 0.279 31.343 31.700 -1.060 0.000 0.784 1313 R N -0.654 119.614 120.500 -0.386 0.000 2.236 1313 R HA -0.026 4.314 4.340 -0.000 0.000 0.208 1313 R C 1.944 178.229 176.300 -0.024 0.000 1.036 1313 R CA 0.736 56.681 56.100 -0.259 0.000 1.001 1313 R CB -0.159 29.884 30.300 -0.428 0.000 0.896 1313 R HN 0.333 nan 8.270 nan 0.000 0.464 1314 E N 0.243 120.415 120.200 -0.046 0.000 2.431 1314 E HA 0.072 4.422 4.350 -0.000 0.000 0.200 1314 E C -0.368 176.238 176.600 0.011 0.000 0.995 1314 E CA -0.064 56.331 56.400 -0.008 0.000 0.915 1314 E CB 0.582 30.274 29.700 -0.014 0.000 0.930 1314 E HN 0.053 nan 8.360 nan 0.000 0.496 1315 S N 1.253 116.953 115.700 0.001 0.000 2.549 1315 S HA 0.114 4.584 4.470 -0.000 0.000 0.279 1315 S C -0.152 174.473 174.600 0.042 0.000 1.321 1315 S CA -0.072 58.140 58.200 0.019 0.000 1.054 1315 S CB 1.176 64.373 63.200 -0.005 0.000 0.899 1315 S HN 0.110 nan 8.310 nan 0.000 0.497 1316 Q N 3.179 123.026 119.800 0.078 0.000 2.357 1316 Q HA 0.356 4.696 4.340 -0.000 0.000 0.266 1316 Q C -1.790 174.288 176.000 0.130 0.000 1.021 1316 Q CA -2.003 53.846 55.803 0.078 0.000 0.784 1316 Q CB 1.360 30.157 28.738 0.098 0.000 1.243 1316 Q HN 0.296 nan 8.270 nan 0.000 0.465 1317 P HA 0.007 nan 4.420 nan 0.000 0.225 1317 P C -0.604 176.669 177.300 -0.045 0.000 1.156 1317 P CA 0.586 63.726 63.100 0.067 0.000 0.787 1317 P CB 0.417 32.126 31.700 0.015 0.000 0.802 1318 L N -4.063 117.006 121.223 -0.257 0.000 3.002 1318 L HA 0.411 4.751 4.340 -0.000 0.000 0.267 1318 L C -1.319 175.269 176.870 -0.470 0.000 0.997 1318 L CA -1.452 53.066 54.840 -0.537 0.000 0.961 1318 L CB 0.062 41.937 42.059 -0.307 0.000 1.502 1318 L HN -0.316 nan 8.230 nan 0.000 0.408 1319 L N 0.498 121.422 121.223 -0.498 0.000 2.307 1319 L HA 0.995 5.335 4.340 -0.000 0.000 0.282 1319 L C 0.672 177.357 176.870 -0.308 0.000 1.051 1319 L CA -0.045 54.629 54.840 -0.277 0.000 0.804 1319 L CB 0.955 42.944 42.059 -0.116 0.000 1.197 1319 L HN 1.016 nan 8.230 nan 0.000 0.431 1320 G N 0.982 109.615 108.800 -0.278 0.000 3.058 1320 G HA2 0.453 4.413 3.960 -0.000 0.000 0.282 1320 G HA3 0.453 4.413 3.960 -0.000 0.000 0.282 1320 G C -0.766 174.001 174.900 -0.221 0.000 1.248 1320 G CA -0.481 44.349 45.100 -0.449 0.000 0.822 1320 G HN 0.421 nan 8.290 nan 0.000 0.579 1321 T N 0.212 114.688 114.554 -0.131 0.000 2.906 1321 T HA 0.407 4.757 4.350 -0.000 0.000 0.320 1321 T C 0.404 175.112 174.700 0.013 0.000 1.088 1321 T CA 0.724 62.888 62.100 0.105 0.000 1.120 1321 T CB 0.921 69.858 68.868 0.114 0.000 1.000 1321 T HN 1.422 nan 8.240 nan 0.000 0.550 1322 V N -0.676 119.248 119.914 0.017 0.000 3.159 1322 V HA 0.598 4.718 4.120 -0.000 0.000 0.308 1322 V C -0.966 175.097 176.094 -0.051 0.000 1.190 1322 V CA -1.336 60.937 62.300 -0.046 0.000 1.037 1322 V CB 2.000 33.775 31.823 -0.081 0.000 1.060 1322 V HN 0.617 nan 8.190 nan 0.000 0.437 1323 I N 3.515 124.049 120.570 -0.060 0.000 2.241 1323 I HA 0.298 4.468 4.170 -0.000 0.000 0.294 1323 I C 0.827 176.907 176.117 -0.062 0.000 1.145 1323 I CA -0.008 61.260 61.300 -0.054 0.000 1.261 1323 I CB -0.329 37.644 38.000 -0.046 0.000 1.475 1323 I HN 0.983 nan 8.210 nan 0.000 0.533 1324 D N 3.275 123.632 120.400 -0.072 0.000 2.289 1324 D HA 0.022 4.662 4.640 -0.000 0.000 0.207 1324 D C 1.527 177.793 176.300 -0.057 0.000 0.966 1324 D CA 1.153 55.102 54.000 -0.085 0.000 0.868 1324 D CB 0.315 41.037 40.800 -0.130 0.000 0.943 1324 D HN 0.640 nan 8.370 nan 0.000 0.514 1325 G N -0.416 108.359 108.800 -0.041 0.000 2.232 1325 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.226 1325 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.226 1325 G C 1.061 175.952 174.900 -0.014 0.000 0.996 1325 G CA 0.527 45.612 45.100 -0.025 0.000 0.626 1325 G HN 0.217 nan 8.290 nan 0.000 0.509 1326 M N -0.821 118.768 119.600 -0.018 0.000 2.553 1326 M HA 0.419 4.899 4.480 -0.000 0.000 0.255 1326 M C 2.368 178.671 176.300 0.004 0.000 1.181 1326 M CA 1.411 56.711 55.300 0.000 0.000 1.210 1326 M CB -1.065 31.538 32.600 0.006 0.000 1.280 1326 M HN 0.318 nan 8.290 nan 0.000 0.495 1327 L N 0.303 121.520 121.223 -0.010 0.000 2.162 1327 L HA 0.207 4.547 4.340 -0.000 0.000 0.205 1327 L C 0.250 177.110 176.870 -0.018 0.000 1.086 1327 L CA 1.302 56.136 54.840 -0.009 0.000 0.778 1327 L CB 0.220 42.270 42.059 -0.014 0.000 0.928 1327 L HN 0.123 nan 8.230 nan 0.000 0.446 1328 L N 0.200 121.408 121.223 -0.025 0.000 2.427 1328 L HA 0.242 4.582 4.340 -0.000 0.000 0.264 1328 L C 0.568 177.428 176.870 -0.015 0.000 0.989 1328 L CA -0.386 54.440 54.840 -0.023 0.000 0.865 1328 L CB 1.754 43.788 42.059 -0.041 0.000 1.209 1328 L HN 0.119 nan 8.230 nan 0.000 0.430 1329 L N 1.686 122.909 121.223 -0.001 0.000 1.994 1329 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 1329 L C 0.674 177.541 176.870 -0.005 0.000 1.071 1329 L CA 1.582 56.421 54.840 -0.001 0.000 0.745 1329 L CB -0.273 41.791 42.059 0.008 0.000 0.892 1329 L HN 0.560 nan 8.230 nan 0.000 0.431 1330 K N -1.059 119.341 120.400 0.000 0.000 2.444 1330 K HA 0.356 4.676 4.320 -0.000 0.000 0.252 1330 K C -0.364 176.232 176.600 -0.006 0.000 0.993 1330 K CA -0.681 55.604 56.287 -0.003 0.000 0.847 1330 K CB 1.578 34.082 32.500 0.006 0.000 1.340 1330 K HN -0.070 nan 8.250 nan 0.000 0.446 1331 T N -1.182 113.363 114.554 -0.014 0.000 2.906 1331 T HA 0.015 4.365 4.350 -0.000 0.000 0.320 1331 T C -1.937 172.757 174.700 -0.010 0.000 1.088 1331 T CA -1.000 61.086 62.100 -0.022 0.000 1.120 1331 T CB 0.221 69.071 68.868 -0.030 0.000 1.000 1331 T HN 0.219 nan 8.240 nan 0.000 0.550 1332 P HA -0.189 nan 4.420 nan 0.000 0.217 1332 P C 1.428 178.737 177.300 0.016 0.000 1.162 1332 P CA 1.451 64.544 63.100 -0.012 0.000 0.901 1332 P CB -0.001 31.672 31.700 -0.044 0.000 0.793 1333 E N -0.394 119.809 120.200 0.005 0.000 2.097 1333 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 1333 E C 1.950 178.577 176.600 0.044 0.000 1.000 1333 E CA 1.410 57.824 56.400 0.023 0.000 0.804 1333 E CB -0.727 28.977 29.700 0.007 0.000 0.740 1333 E HN 0.472 nan 8.360 nan 0.000 0.454 1334 E N 0.404 120.624 120.200 0.033 0.000 2.028 1334 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 1334 E C 2.246 178.884 176.600 0.063 0.000 0.988 1334 E CA 1.005 57.427 56.400 0.038 0.000 0.799 1334 E CB -0.290 29.422 29.700 0.021 0.000 0.755 1334 E HN 0.218 nan 8.360 nan 0.000 0.447 1335 L N 1.279 122.550 121.223 0.079 0.000 2.021 1335 L HA -0.293 4.047 4.340 -0.000 0.000 0.215 1335 L C 2.776 179.781 176.870 0.223 0.000 1.074 1335 L CA 1.871 56.788 54.840 0.129 0.000 0.760 1335 L CB -0.855 41.289 42.059 0.142 0.000 0.889 1335 L HN 0.243 nan 8.230 nan 0.000 0.433 1336 Q N -0.149 119.811 119.800 0.266 0.000 2.269 1336 Q HA 0.013 4.353 4.340 -0.000 0.000 0.201 1336 Q C 2.254 178.398 176.000 0.240 0.000 0.946 1336 Q CA 0.959 57.024 55.803 0.436 0.000 0.877 1336 Q CB -0.312 28.627 28.738 0.335 0.000 0.963 1336 Q HN 0.416 nan 8.270 nan 0.000 0.472 1337 A N 2.397 125.298 122.820 0.134 0.000 2.019 1337 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 1337 A C 0.920 178.531 177.584 0.045 0.000 1.164 1337 A CA 1.169 53.254 52.037 0.079 0.000 0.644 1337 A CB -0.337 18.696 19.000 0.054 0.000 0.805 1337 A HN 0.609 nan 8.150 nan 0.000 0.449 1338 E N 0.607 120.827 120.200 0.032 0.000 2.376 1338 E HA 0.336 4.686 4.350 -0.000 0.000 0.236 1338 E C -0.989 175.553 176.600 -0.096 0.000 0.962 1338 E CA -1.159 55.227 56.400 -0.023 0.000 0.768 1338 E CB 0.488 30.178 29.700 -0.018 0.000 1.236 1338 E HN 0.119 nan 8.360 nan 0.000 0.431 1339 R N 2.846 123.242 120.500 -0.174 0.000 4.662 1339 R HA -0.167 4.173 4.340 -0.000 0.000 0.189 1339 R C -0.599 175.409 176.300 -0.488 0.000 0.345 1339 R CA 0.481 56.308 56.100 -0.455 0.000 0.933 1339 R CB -1.498 28.591 30.300 -0.352 0.000 0.923 1339 R HN 0.704 nan 8.270 nan 0.000 0.272 1340 N N 2.333 120.714 118.700 -0.533 0.000 2.687 1340 N HA 0.161 4.901 4.740 -0.000 0.000 0.275 1340 N C -1.320 174.108 175.510 -0.136 0.000 1.789 1340 N CA -0.330 52.549 53.050 -0.284 0.000 0.806 1340 N CB 0.433 38.858 38.487 -0.104 0.000 1.256 1340 N HN 0.246 nan 8.380 nan 0.000 0.500 1341 F N -1.747 118.193 119.950 -0.018 0.000 2.923 1341 F HA 0.477 5.004 4.527 -0.000 0.000 0.323 1341 F C -0.794 174.990 175.800 -0.027 0.000 1.189 1341 F CA -1.253 56.769 58.000 0.037 0.000 0.930 1341 F CB 0.173 39.263 39.000 0.150 0.000 1.414 1341 F HN -0.074 nan 8.300 nan 0.000 0.496 1342 H N -0.019 119.293 119.070 0.404 0.000 3.017 1342 H HA 0.292 4.848 4.556 -0.000 0.000 0.276 1342 H C 0.697 176.192 175.328 0.278 0.000 1.062 1342 H CA 0.434 56.602 56.048 0.200 0.000 1.486 1342 H CB 0.362 30.141 29.762 0.028 0.000 1.507 1342 H HN 0.738 nan 8.280 nan 0.000 0.508 1343 T N 1.002 115.656 114.554 0.168 0.000 3.792 1343 T HA 0.191 4.541 4.350 -0.000 0.000 0.233 1343 T C 0.421 175.209 174.700 0.147 0.000 0.860 1343 T CA -0.502 61.655 62.100 0.096 0.000 0.915 1343 T CB -1.554 67.309 68.868 -0.009 0.000 1.216 1343 T HN 0.340 nan 8.240 nan 0.000 0.664 1344 V N -2.295 117.781 119.914 0.270 0.000 2.716 1344 V HA 0.647 4.767 4.120 -0.000 0.000 0.304 1344 V C -2.821 173.487 176.094 0.356 0.000 1.053 1344 V CA -3.407 59.028 62.300 0.225 0.000 0.984 1344 V CB 0.971 32.870 31.823 0.127 0.000 1.021 1344 V HN 0.042 nan 8.190 nan 0.000 0.467 1345 P HA 0.078 nan 4.420 nan 0.000 0.260 1345 P C -1.279 176.336 177.300 0.526 0.000 1.185 1345 P CA 0.796 64.092 63.100 0.327 0.000 0.763 1345 P CB -0.267 31.444 31.700 0.017 0.000 0.776 1346 Y N 4.082 124.635 120.300 0.422 0.000 2.361 1346 Y HA 0.530 5.080 4.550 0.000 0.000 0.337 1346 Y C -0.572 175.402 175.900 0.124 0.000 0.965 1346 Y CA -1.649 56.558 58.100 0.180 0.000 1.091 1346 Y CB 1.476 39.680 38.460 -0.427 0.000 1.182 1346 Y HN 0.207 nan 8.280 nan 0.000 0.450 1347 M N 7.449 127.228 119.600 0.298 0.000 2.205 1347 M HA 0.581 5.061 4.480 -0.000 0.000 0.344 1347 M C -2.140 174.044 176.300 -0.194 0.000 1.085 1347 M CA -0.659 54.517 55.300 -0.207 0.000 1.001 1347 M CB 1.052 33.170 32.600 -0.804 0.000 1.626 1347 M HN 0.437 nan 8.290 nan 0.000 0.442 1348 V N 4.220 123.947 119.914 -0.312 0.000 2.531 1348 V HA 0.897 5.017 4.120 -0.000 0.000 0.301 1348 V C 0.078 175.912 176.094 -0.434 0.000 1.034 1348 V CA -0.597 61.467 62.300 -0.393 0.000 0.865 1348 V CB 1.623 33.096 31.823 -0.584 0.000 0.995 1348 V HN 1.004 nan 8.190 nan 0.000 0.424 1349 G N 4.047 112.509 108.800 -0.563 0.000 2.659 1349 G HA2 0.858 4.818 3.960 -0.000 0.000 0.296 1349 G HA3 0.858 4.818 3.960 -0.000 0.000 0.296 1349 G C -1.262 173.283 174.900 -0.593 0.000 1.369 1349 G CA -0.649 43.704 45.100 -1.245 0.000 0.937 1349 G HN 0.906 nan 8.290 nan 0.000 0.485 1350 I N -2.054 118.259 120.570 -0.429 0.000 3.108 1350 I HA 0.627 4.797 4.170 -0.000 0.000 0.312 1350 I C -0.964 175.193 176.117 0.068 0.000 1.095 1350 I CA -1.417 59.827 61.300 -0.095 0.000 1.000 1350 I CB 2.627 40.594 38.000 -0.054 0.000 1.229 1350 I HN 0.386 nan 8.210 nan 0.000 0.454 1351 N N 1.948 120.700 118.700 0.087 0.000 2.372 1351 N HA 0.209 4.949 4.740 -0.000 0.000 0.291 1351 N C 0.007 175.592 175.510 0.126 0.000 1.024 1351 N CA -0.784 52.377 53.050 0.185 0.000 0.873 1351 N CB 2.240 40.831 38.487 0.173 0.000 1.206 1351 N HN 0.553 nan 8.380 nan 0.000 0.486 1352 K N 1.195 121.687 120.400 0.153 0.000 2.128 1352 K HA -0.268 4.052 4.320 -0.000 0.000 0.220 1352 K C 0.102 176.761 176.600 0.098 0.000 1.049 1352 K CA 1.957 58.311 56.287 0.111 0.000 0.948 1352 K CB 0.034 32.597 32.500 0.104 0.000 0.742 1352 K HN 0.606 nan 8.250 nan 0.000 0.465 1353 Q N 0.027 119.890 119.800 0.106 0.000 2.788 1353 Q HA 0.082 4.422 4.340 -0.000 0.000 0.285 1353 Q C -0.121 175.925 176.000 0.077 0.000 1.063 1353 Q CA -0.323 55.541 55.803 0.102 0.000 0.958 1353 Q CB 1.392 30.200 28.738 0.116 0.000 1.211 1353 Q HN 0.187 nan 8.270 nan 0.000 0.478 1354 E N 0.131 120.337 120.200 0.009 0.000 2.219 1354 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 1354 E C 0.400 176.973 176.600 -0.046 0.000 0.998 1354 E CA 1.252 57.559 56.400 -0.154 0.000 0.818 1354 E CB 0.148 29.520 29.700 -0.546 0.000 0.741 1354 E HN 0.444 nan 8.360 nan 0.000 0.477 1355 F N -0.135 119.752 119.950 -0.105 0.000 2.791 1355 F HA 0.312 4.839 4.527 0.000 0.000 0.308 1355 F C 1.609 177.381 175.800 -0.048 0.000 1.138 1355 F CA -0.250 57.684 58.000 -0.109 0.000 1.294 1355 F CB 0.573 39.487 39.000 -0.142 0.000 0.975 1355 F HN -0.077 nan 8.300 nan 0.000 0.512 1356 G N 0.373 109.214 108.800 0.069 0.000 2.484 1356 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.215 1356 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.215 1356 G C 1.125 176.113 174.900 0.147 0.000 1.219 1356 G CA 1.435 46.608 45.100 0.122 0.000 0.791 1356 G HN 0.599 nan 8.290 nan 0.000 0.550 1357 W N -1.303 119.943 121.300 -0.089 0.000 3.900 1357 W HA 0.377 5.037 4.660 -0.000 0.000 0.186 1357 W C 1.771 178.208 176.519 -0.136 0.000 1.082 1357 W CA -0.005 57.284 57.345 -0.093 0.000 1.537 1357 W CB -0.306 29.134 29.460 -0.034 0.000 0.639 1357 W HN 0.082 nan 8.180 nan 0.000 0.912 1358 L N 1.814 122.901 121.223 -0.226 0.000 1.961 1358 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 1358 L C 2.165 178.700 176.870 -0.558 0.000 1.072 1358 L CA 2.549 57.114 54.840 -0.458 0.000 0.749 1358 L CB -1.193 40.851 42.059 -0.025 0.000 0.889 1358 L HN 0.088 nan 8.230 nan 0.000 0.432 1359 I N -0.387 119.879 120.570 -0.506 0.000 2.264 1359 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 1359 I C -0.441 175.261 176.117 -0.693 0.000 1.111 1359 I CA 1.171 62.125 61.300 -0.577 0.000 1.382 1359 I CB -1.716 35.900 38.000 -0.641 0.000 1.060 1359 I HN 0.325 nan 8.210 nan 0.000 0.418 1360 P HA -0.109 nan 4.420 nan 0.000 0.215 1360 P C 1.207 178.292 177.300 -0.359 0.000 1.157 1360 P CA 0.854 63.540 63.100 -0.690 0.000 0.856 1360 P CB -0.005 31.288 31.700 -0.678 0.000 0.786 1364 M N 0.123 119.680 119.600 -0.070 0.000 2.475 1364 M HA 0.231 4.711 4.480 -0.000 0.000 0.261 1364 M C 0.344 176.714 176.300 0.116 0.000 1.177 1364 M CA 0.071 55.403 55.300 0.052 0.000 0.979 1364 M CB 0.607 33.281 32.600 0.124 0.000 1.482 1364 M HN 0.166 nan 8.290 nan 0.000 0.484 1365 S N 0.617 116.354 115.700 0.062 0.000 3.608 1365 S HA -0.190 4.280 4.470 -0.000 0.000 0.382 1365 S C -0.435 174.246 174.600 0.135 0.000 0.945 1365 S CA 0.390 58.632 58.200 0.070 0.000 1.256 1365 S CB -1.794 61.429 63.200 0.038 0.000 0.913 1365 S HN 0.463 nan 8.310 nan 0.000 0.518 1366 Y N 1.483 121.793 120.300 0.016 0.000 2.425 1366 Y HA 0.330 4.880 4.550 -0.000 0.000 0.331 1366 Y C -1.736 174.212 175.900 0.080 0.000 1.157 1366 Y CA -1.548 56.600 58.100 0.080 0.000 1.372 1366 Y CB 0.494 39.029 38.460 0.125 0.000 1.253 1366 Y HN 0.098 nan 8.280 nan 0.000 0.536 1367 P HA 0.183 nan 4.420 nan 0.000 0.230 1367 P C -0.648 176.713 177.300 0.102 0.000 1.791 1367 P CA 0.528 63.643 63.100 0.025 0.000 1.020 1367 P CB -0.318 31.352 31.700 -0.050 0.000 1.977 1368 L N -0.307 121.016 121.223 0.167 0.000 3.186 1368 L HA 0.199 4.539 4.340 -0.000 0.000 0.292 1368 L C 1.816 178.766 176.870 0.133 0.000 1.303 1368 L CA -0.075 54.873 54.840 0.179 0.000 0.940 1368 L CB 0.180 42.404 42.059 0.275 0.000 1.358 1368 L HN 0.124 nan 8.230 nan 0.000 0.581 1369 S N 0.830 116.589 115.700 0.097 0.000 2.404 1369 S HA -0.245 4.225 4.470 -0.000 0.000 0.230 1369 S C 1.762 176.409 174.600 0.078 0.000 1.046 1369 S CA 2.040 60.288 58.200 0.080 0.000 1.135 1369 S CB 0.137 63.371 63.200 0.058 0.000 1.056 1369 S HN 0.542 nan 8.310 nan 0.000 0.426 1370 E N 0.124 120.365 120.200 0.068 0.000 2.000 1370 E HA -0.042 4.308 4.350 -0.000 0.000 0.199 1370 E C 1.717 178.362 176.600 0.074 0.000 1.011 1370 E CA 1.316 57.753 56.400 0.061 0.000 0.836 1370 E CB -0.741 28.989 29.700 0.050 0.000 0.778 1370 E HN 0.801 nan 8.360 nan 0.000 0.462 1371 G N 0.667 109.519 108.800 0.086 0.000 2.173 1371 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.142 1371 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.142 1371 G C -0.136 174.817 174.900 0.089 0.000 1.019 1371 G CA -0.052 45.108 45.100 0.100 0.000 0.699 1371 G HN 0.205 nan 8.290 nan 0.000 0.495 1372 Q N -0.815 119.028 119.800 0.072 0.000 2.348 1372 Q HA 0.856 5.196 4.340 -0.000 0.000 0.271 1372 Q C -1.116 174.914 176.000 0.050 0.000 1.067 1372 Q CA -1.035 54.803 55.803 0.058 0.000 0.839 1372 Q CB 2.883 31.647 28.738 0.042 0.000 1.354 1372 Q HN 0.370 nan 8.270 nan 0.000 0.447 1373 L N 2.427 123.673 121.223 0.038 0.000 2.676 1373 L HA 0.277 4.617 4.340 -0.000 0.000 0.262 1373 L C -1.884 174.985 176.870 -0.003 0.000 0.965 1373 L CA -0.332 54.512 54.840 0.006 0.000 0.920 1373 L CB 1.692 43.750 42.059 -0.003 0.000 1.260 1373 L HN 0.669 nan 8.230 nan 0.000 0.422 1374 D N 3.917 124.309 120.400 -0.013 0.000 2.225 1374 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 1374 D C 0.416 176.703 176.300 -0.022 0.000 1.096 1374 D CA -0.470 53.525 54.000 -0.008 0.000 0.863 1374 D CB 1.596 42.394 40.800 -0.003 0.000 1.156 1374 D HN 0.515 nan 8.370 nan 0.000 0.450 1375 Q N 1.737 121.532 119.800 -0.008 0.000 2.226 1375 Q HA -0.337 4.003 4.340 -0.000 0.000 0.220 1375 Q C 1.750 177.738 176.000 -0.019 0.000 1.037 1375 Q CA 2.307 58.106 55.803 -0.005 0.000 0.940 1375 Q CB -0.356 28.387 28.738 0.009 0.000 1.037 1375 Q HN 0.712 nan 8.270 nan 0.000 0.420 1376 K N -0.429 119.961 120.400 -0.017 0.000 2.009 1376 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 1376 K C 2.111 178.693 176.600 -0.029 0.000 1.049 1376 K CA 1.887 58.164 56.287 -0.017 0.000 0.929 1376 K CB -0.078 32.415 32.500 -0.012 0.000 0.714 1376 K HN 0.168 nan 8.250 nan 0.000 0.440 1377 T N 0.863 115.391 114.554 -0.042 0.000 2.588 1377 T HA -0.154 4.196 4.350 -0.000 0.000 0.261 1377 T C 1.869 176.498 174.700 -0.119 0.000 1.069 1377 T CA 1.666 63.730 62.100 -0.061 0.000 1.172 1377 T CB -0.638 68.192 68.868 -0.063 0.000 0.863 1377 T HN 0.471 nan 8.240 nan 0.000 0.408 1378 A N 1.534 124.228 122.820 -0.210 0.000 1.984 1378 A HA -0.317 4.003 4.320 -0.000 0.000 0.224 1378 A C 2.328 179.772 177.584 -0.234 0.000 1.256 1378 A CA 2.525 54.307 52.037 -0.424 0.000 0.679 1378 A CB -0.981 17.826 19.000 -0.322 0.000 0.829 1378 A HN 0.555 nan 8.150 nan 0.000 0.483 1379 M N -0.878 118.687 119.600 -0.058 0.000 2.099 1379 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 1379 M C 2.590 178.953 176.300 0.105 0.000 1.067 1379 M CA 1.836 57.164 55.300 0.047 0.000 1.124 1379 M CB -0.435 32.182 32.600 0.029 0.000 1.353 1379 M HN 0.674 nan 8.290 nan 0.000 0.410 1380 S N 0.871 116.612 115.700 0.068 0.000 2.419 1380 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 1380 S C 1.763 176.479 174.600 0.194 0.000 1.016 1380 S CA 0.983 59.270 58.200 0.145 0.000 0.974 1380 S CB -0.464 62.784 63.200 0.080 0.000 0.786 1380 S HN 0.474 nan 8.310 nan 0.000 0.492 1381 L N 0.075 121.346 121.223 0.080 0.000 2.179 1381 L HA 0.142 4.482 4.340 -0.000 0.000 0.208 1381 L C 2.442 179.481 176.870 0.282 0.000 1.096 1381 L CA 0.526 55.417 54.840 0.084 0.000 0.779 1381 L CB -0.506 41.512 42.059 -0.070 0.000 0.922 1381 L HN 0.349 nan 8.230 nan 0.000 0.443 1382 L N -0.762 120.671 121.223 0.349 0.000 2.376 1382 L HA -0.157 4.183 4.340 -0.000 0.000 0.219 1382 L C 1.979 179.120 176.870 0.451 0.000 1.133 1382 L CA 1.403 56.548 54.840 0.509 0.000 0.816 1382 L CB -0.633 41.740 42.059 0.524 0.000 0.933 1382 L HN 0.306 nan 8.230 nan 0.000 0.449 1383 W N 0.306 121.703 121.300 0.162 0.000 2.418 1383 W HA -0.186 4.474 4.660 0.000 0.000 0.319 1383 W C 1.978 178.584 176.519 0.146 0.000 1.183 1383 W CA 0.385 57.813 57.345 0.138 0.000 1.327 1383 W CB 0.111 29.617 29.460 0.076 0.000 1.163 1383 W HN -0.048 nan 8.180 nan 0.000 0.479 1384 K N 0.799 121.201 120.400 0.003 0.000 2.218 1384 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 1384 K C 1.631 178.183 176.600 -0.080 0.000 1.046 1384 K CA 1.360 57.546 56.287 -0.169 0.000 0.933 1384 K CB -0.869 31.578 32.500 -0.088 0.000 0.728 1384 K HN 0.066 nan 8.250 nan 0.000 0.454 1385 S N 0.877 116.616 115.700 0.066 0.000 2.720 1385 S HA -0.058 4.412 4.470 -0.000 0.000 0.222 1385 S C 1.203 175.826 174.600 0.038 0.000 0.958 1385 S CA -0.152 58.113 58.200 0.109 0.000 0.943 1385 S CB -0.390 62.934 63.200 0.207 0.000 0.779 1385 S HN 0.300 nan 8.310 nan 0.000 0.526 1386 Y N 3.690 123.908 120.300 -0.137 0.000 2.207 1386 Y HA -0.098 4.452 4.550 -0.000 0.000 0.287 1386 Y C -0.773 175.055 175.900 -0.120 0.000 1.156 1386 Y CA 1.270 59.278 58.100 -0.154 0.000 1.182 1386 Y CB -0.851 37.383 38.460 -0.378 0.000 0.979 1386 Y HN 0.272 nan 8.280 nan 0.000 0.521 1387 P HA -0.079 nan 4.420 nan 0.000 0.227 1387 P C 1.438 178.620 177.300 -0.197 0.000 1.161 1387 P CA 1.309 64.297 63.100 -0.187 0.000 0.788 1387 P CB 0.113 31.780 31.700 -0.055 0.000 0.822 1388 L N -0.383 120.755 121.223 -0.141 0.000 2.168 1388 L HA -0.019 4.321 4.340 -0.000 0.000 0.203 1388 L C 2.538 179.278 176.870 -0.216 0.000 1.078 1388 L CA 1.036 55.800 54.840 -0.127 0.000 0.780 1388 L CB -0.364 41.680 42.059 -0.025 0.000 0.939 1388 L HN -0.131 nan 8.230 nan 0.000 0.451 1389 V N -6.135 113.643 119.914 -0.226 0.000 3.212 1389 V HA 0.110 4.230 4.120 -0.000 0.000 0.244 1389 V C 1.195 177.118 176.094 -0.284 0.000 1.151 1389 V CA -0.256 61.903 62.300 -0.235 0.000 1.119 1389 V CB 0.119 31.850 31.823 -0.154 0.000 0.838 1389 V HN 0.459 nan 8.190 nan 0.000 0.470 1390 C N 1.170 120.185 119.300 -0.476 0.000 4.545 1390 C HA -0.129 4.331 4.460 -0.000 0.000 0.300 1390 C C 0.341 175.175 174.990 -0.260 0.000 1.337 1390 C CA -0.022 58.510 59.018 -0.811 0.000 2.032 1390 C CB -3.039 24.319 27.740 -0.637 0.000 1.236 1390 C HN 0.653 nan 8.230 nan 0.000 0.774 1391 I N 0.779 121.441 120.570 0.153 0.000 2.412 1391 I HA 0.563 4.733 4.170 -0.000 0.000 0.296 1391 I C 0.923 177.390 176.117 0.582 0.000 0.987 1391 I CA -0.181 61.383 61.300 0.439 0.000 1.180 1391 I CB 1.350 39.650 38.000 0.500 0.000 1.340 1391 I HN 0.420 nan 8.210 nan 0.000 0.455 1392 A N 5.806 128.894 122.820 0.447 0.000 2.567 1392 A HA -0.005 4.315 4.320 -0.000 0.000 0.240 1392 A C 1.480 179.214 177.584 0.249 0.000 1.053 1392 A CA 0.042 52.277 52.037 0.330 0.000 0.755 1392 A CB 0.209 19.337 19.000 0.213 0.000 0.978 1392 A HN 0.860 nan 8.150 nan 0.000 0.507 1393 K N 1.618 122.074 120.400 0.094 0.000 2.281 1393 K HA -0.184 4.136 4.320 -0.000 0.000 0.203 1393 K C 1.399 177.877 176.600 -0.202 0.000 1.046 1393 K CA 2.058 58.133 56.287 -0.353 0.000 0.938 1393 K CB 0.033 31.911 32.500 -1.037 0.000 0.737 1393 K HN 0.959 nan 8.250 nan 0.000 0.458 1394 E N -0.399 119.759 120.200 -0.069 0.000 2.447 1394 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 1394 E C 1.794 178.406 176.600 0.021 0.000 1.028 1394 E CA 0.097 56.474 56.400 -0.039 0.000 0.876 1394 E CB -0.073 29.613 29.700 -0.023 0.000 0.885 1394 E HN 0.231 nan 8.360 nan 0.000 0.500 1395 L N 0.614 121.885 121.223 0.080 0.000 2.416 1395 L HA 0.040 4.380 4.340 -0.000 0.000 0.216 1395 L C 2.227 179.180 176.870 0.140 0.000 1.098 1395 L CA -0.190 54.719 54.840 0.115 0.000 0.840 1395 L CB -0.206 41.959 42.059 0.177 0.000 0.981 1395 L HN 0.090 nan 8.230 nan 0.000 0.462 1396 I N 1.232 121.889 120.570 0.145 0.000 2.065 1396 I HA -0.257 3.913 4.170 -0.000 0.000 0.236 1396 I C -0.007 176.190 176.117 0.134 0.000 1.028 1396 I CA 2.317 63.718 61.300 0.167 0.000 1.299 1396 I CB -2.436 35.636 38.000 0.120 0.000 1.015 1396 I HN 0.170 nan 8.210 nan 0.000 0.396 1397 P HA -0.181 nan 4.420 nan 0.000 0.217 1397 P C 1.652 179.001 177.300 0.082 0.000 1.148 1397 P CA 1.446 64.584 63.100 0.063 0.000 0.828 1397 P CB -0.139 31.577 31.700 0.025 0.000 0.783 1398 E N -0.442 119.814 120.200 0.093 0.000 2.150 1398 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 1398 E C 1.717 178.430 176.600 0.188 0.000 0.985 1398 E CA 1.266 57.734 56.400 0.113 0.000 0.814 1398 E CB -0.227 29.529 29.700 0.093 0.000 0.752 1398 E HN 0.127 nan 8.360 nan 0.000 0.466 1399 A N -0.003 122.951 122.820 0.222 0.000 1.956 1399 A HA 0.004 4.324 4.320 -0.000 0.000 0.212 1399 A C 2.286 179.972 177.584 0.170 0.000 1.188 1399 A CA 1.078 53.277 52.037 0.270 0.000 0.675 1399 A CB -0.468 18.697 19.000 0.274 0.000 0.845 1399 A HN 0.232 nan 8.150 nan 0.000 0.455 1400 T N 0.097 114.759 114.554 0.181 0.000 2.803 1400 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 1400 T C 1.842 176.626 174.700 0.140 0.000 1.052 1400 T CA 1.896 64.103 62.100 0.179 0.000 1.136 1400 T CB -0.122 68.832 68.868 0.144 0.000 0.864 1400 T HN 0.620 nan 8.240 nan 0.000 0.467 1401 E N 1.271 121.527 120.200 0.093 0.000 2.051 1401 E HA -0.022 4.328 4.350 -0.000 0.000 0.189 1401 E C 2.025 178.628 176.600 0.006 0.000 0.979 1401 E CA 0.994 57.423 56.400 0.049 0.000 0.803 1401 E CB -0.194 29.526 29.700 0.033 0.000 0.761 1401 E HN 0.174 nan 8.360 nan 0.000 0.451 1402 K N -1.159 119.210 120.400 -0.051 0.000 2.442 1402 K HA -0.137 4.183 4.320 -0.000 0.000 0.199 1402 K C 0.901 177.378 176.600 -0.205 0.000 1.044 1402 K CA 1.203 57.336 56.287 -0.256 0.000 0.941 1402 K CB -0.223 31.819 32.500 -0.763 0.000 0.759 1402 K HN 0.258 nan 8.250 nan 0.000 0.472 1403 Y N -1.486 118.707 120.300 -0.178 0.000 2.609 1403 Y HA 0.263 4.813 4.550 -0.000 0.000 0.281 1403 Y C 1.191 177.091 175.900 -0.000 0.000 1.132 1403 Y CA 0.275 58.331 58.100 -0.074 0.000 1.264 1403 Y CB 0.649 39.128 38.460 0.032 0.000 1.325 1403 Y HN -0.129 nan 8.280 nan 0.000 0.514 1404 L N -1.325 120.001 121.223 0.171 0.000 2.693 1404 L HA 0.312 4.652 4.340 -0.000 0.000 0.235 1404 L C 1.972 178.875 176.870 0.055 0.000 1.127 1404 L CA 0.587 55.498 54.840 0.118 0.000 0.914 1404 L CB -0.154 41.987 42.059 0.136 0.000 1.193 1404 L HN 0.200 nan 8.230 nan 0.000 0.502 1405 G N 0.248 109.064 108.800 0.028 0.000 2.679 1405 G HA2 0.005 3.965 3.960 -0.000 0.000 0.212 1405 G HA3 0.005 3.965 3.960 -0.000 0.000 0.212 1405 G C 1.230 176.125 174.900 -0.008 0.000 1.137 1405 G CA 0.634 45.737 45.100 0.005 0.000 0.787 1405 G HN 0.421 nan 8.290 nan 0.000 0.534 1406 G N 0.235 109.026 108.800 -0.015 0.000 2.561 1406 G HA2 0.140 4.100 3.960 -0.000 0.000 0.208 1406 G HA3 0.140 4.100 3.960 -0.000 0.000 0.208 1406 G C 1.064 175.961 174.900 -0.004 0.000 1.510 1406 G CA 0.982 46.070 45.100 -0.021 0.000 0.941 1406 G HN 0.515 nan 8.290 nan 0.000 0.478 1407 T N -0.920 113.636 114.554 0.003 0.000 2.791 1407 T HA 0.128 4.478 4.350 -0.000 0.000 0.323 1407 T C 0.229 174.939 174.700 0.017 0.000 1.082 1407 T CA 0.949 63.056 62.100 0.011 0.000 1.084 1407 T CB 1.042 69.921 68.868 0.019 0.000 0.992 1407 T HN 0.221 nan 8.240 nan 0.000 0.547 1408 D N 0.397 120.807 120.400 0.016 0.000 2.593 1408 D HA 0.223 4.863 4.640 -0.000 0.000 0.241 1408 D C -0.603 175.709 176.300 0.020 0.000 1.257 1408 D CA -0.376 53.634 54.000 0.017 0.000 0.828 1408 D CB 0.054 40.861 40.800 0.011 0.000 1.049 1408 D HN 0.517 nan 8.370 nan 0.000 0.490 1409 D N -0.413 120.003 120.400 0.026 0.000 2.193 1409 D HA 0.031 4.671 4.640 -0.000 0.000 0.244 1409 D C 1.559 177.882 176.300 0.037 0.000 1.064 1409 D CA -0.004 54.014 54.000 0.029 0.000 0.845 1409 D CB 1.849 42.667 40.800 0.030 0.000 1.148 1409 D HN 0.159 nan 8.370 nan 0.000 0.464 1410 T N 0.432 115.007 114.554 0.035 0.000 2.833 1410 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 1410 T C 1.841 176.575 174.700 0.056 0.000 1.054 1410 T CA 1.104 63.229 62.100 0.041 0.000 1.135 1410 T CB -0.212 68.677 68.868 0.034 0.000 0.869 1410 T HN 0.210 nan 8.240 nan 0.000 0.466 1411 V N 1.493 121.440 119.914 0.055 0.000 2.346 1411 V HA -0.015 4.105 4.120 -0.000 0.000 0.244 1411 V C 2.820 178.962 176.094 0.079 0.000 1.037 1411 V CA 1.657 63.998 62.300 0.068 0.000 1.029 1411 V CB -0.537 31.319 31.823 0.055 0.000 0.663 1411 V HN 0.458 nan 8.190 nan 0.000 0.454 1412 K N 0.151 120.591 120.400 0.066 0.000 2.147 1412 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 1412 K C 2.200 178.855 176.600 0.092 0.000 1.049 1412 K CA 1.153 57.483 56.287 0.071 0.000 0.936 1412 K CB -0.140 32.391 32.500 0.050 0.000 0.722 1412 K HN 0.298 nan 8.250 nan 0.000 0.446 1413 K N 1.305 121.758 120.400 0.089 0.000 2.366 1413 K HA -0.106 4.214 4.320 -0.000 0.000 0.198 1413 K C 1.939 178.632 176.600 0.155 0.000 1.044 1413 K CA 0.869 57.221 56.287 0.107 0.000 0.973 1413 K CB 0.232 32.777 32.500 0.074 0.000 0.767 1413 K HN -0.023 nan 8.250 nan 0.000 0.475 1414 K N 0.468 120.960 120.400 0.154 0.000 2.128 1414 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 1414 K C 1.021 177.776 176.600 0.258 0.000 1.050 1414 K CA 1.122 57.535 56.287 0.210 0.000 0.966 1414 K CB 0.182 32.783 32.500 0.168 0.000 0.759 1414 K HN 0.063 nan 8.250 nan 0.000 0.454 1415 D N 1.289 121.803 120.400 0.191 0.000 2.218 1415 D HA -0.151 4.489 4.640 -0.000 0.000 0.204 1415 D C 1.889 178.306 176.300 0.196 0.000 0.976 1415 D CA 0.919 55.025 54.000 0.177 0.000 0.853 1415 D CB 0.086 40.962 40.800 0.127 0.000 0.939 1415 D HN 0.260 nan 8.370 nan 0.000 0.481 1416 L N -0.302 121.050 121.223 0.215 0.000 2.341 1416 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 1416 L C 2.064 179.136 176.870 0.338 0.000 1.115 1416 L CA 0.053 55.042 54.840 0.249 0.000 0.820 1416 L CB -0.136 42.051 42.059 0.214 0.000 0.944 1416 L HN -0.080 nan 8.230 nan 0.000 0.452 1417 F N 0.533 120.587 119.950 0.173 0.000 2.293 1417 F HA -0.130 4.397 4.527 0.000 0.000 0.300 1417 F C 1.871 177.735 175.800 0.107 0.000 1.086 1417 F CA 1.267 59.354 58.000 0.146 0.000 1.375 1417 F CB -0.078 39.008 39.000 0.144 0.000 1.045 1417 F HN -0.082 nan 8.300 nan 0.000 0.516 1418 L N -0.449 120.790 121.223 0.027 0.000 2.068 1418 L HA -0.138 4.202 4.340 -0.000 0.000 0.204 1418 L C 2.125 178.976 176.870 -0.032 0.000 1.076 1418 L CA 1.222 56.034 54.840 -0.046 0.000 0.753 1418 L CB -0.962 41.203 42.059 0.178 0.000 0.910 1418 L HN 0.000 nan 8.230 nan 0.000 0.439 1419 D N 0.633 121.097 120.400 0.107 0.000 2.178 1419 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 1419 D C 2.141 178.542 176.300 0.168 0.000 0.980 1419 D CA 1.054 55.157 54.000 0.172 0.000 0.842 1419 D CB -0.080 40.867 40.800 0.245 0.000 0.948 1419 D HN 0.159 nan 8.370 nan 0.000 0.472 1420 L N 1.377 122.652 121.223 0.088 0.000 1.956 1420 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 1420 L C 2.238 178.901 176.870 -0.346 0.000 1.073 1420 L CA 1.640 56.327 54.840 -0.255 0.000 0.762 1420 L CB -0.729 41.184 42.059 -0.242 0.000 0.889 1420 L HN -0.035 nan 8.230 nan 0.000 0.433 1421 I N -0.513 119.760 120.570 -0.496 0.000 2.163 1421 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 1421 I C 2.651 178.549 176.117 -0.365 0.000 1.081 1421 I CA 1.192 62.135 61.300 -0.595 0.000 1.353 1421 I CB -0.838 36.515 38.000 -1.079 0.000 1.054 1421 I HN 0.420 nan 8.210 nan 0.000 0.407 1422 A N 0.761 123.464 122.820 -0.194 0.000 1.903 1422 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 1422 A C 1.994 179.641 177.584 0.106 0.000 1.191 1422 A CA 2.344 54.444 52.037 0.107 0.000 0.638 1422 A CB -0.799 18.277 19.000 0.126 0.000 0.823 1422 A HN 0.411 nan 8.150 nan 0.000 0.451 1423 D N -0.489 119.925 120.400 0.023 0.000 2.149 1423 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 1423 D C 2.058 178.233 176.300 -0.209 0.000 0.990 1423 D CA 1.679 55.694 54.000 0.025 0.000 0.839 1423 D CB -0.194 40.748 40.800 0.238 0.000 0.948 1423 D HN 0.311 nan 8.370 nan 0.000 0.460 1424 V N 0.775 120.420 119.914 -0.449 0.000 2.346 1424 V HA -0.145 3.975 4.120 -0.000 0.000 0.244 1424 V C 2.505 178.392 176.094 -0.345 0.000 1.037 1424 V CA 1.025 62.960 62.300 -0.609 0.000 1.029 1424 V CB -0.313 31.029 31.823 -0.800 0.000 0.663 1424 V HN 0.155 nan 8.190 nan 0.000 0.454 1425 M N -1.374 118.053 119.600 -0.287 0.000 2.200 1425 M HA 0.021 4.501 4.480 -0.000 0.000 0.265 1425 M C 1.855 177.779 176.300 -0.627 0.000 1.066 1425 M CA 2.073 57.101 55.300 -0.453 0.000 1.127 1425 M CB -0.175 32.127 32.600 -0.497 0.000 1.379 1425 M HN 0.367 nan 8.290 nan 0.000 0.420 1426 F N -1.365 118.536 119.950 -0.081 0.000 2.423 1426 F HA 0.356 4.883 4.527 -0.000 0.000 0.269 1426 F C 2.440 178.200 175.800 -0.066 0.000 0.880 1426 F CA 0.255 58.229 58.000 -0.043 0.000 1.134 1426 F CB -1.475 37.543 39.000 0.029 0.000 1.143 1426 F HN 0.025 nan 8.300 nan 0.000 0.802 1427 G N 1.284 110.188 108.800 0.174 0.000 2.721 1427 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 1427 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 1427 G C 1.770 176.675 174.900 0.008 0.000 1.265 1427 G CA 2.185 47.321 45.100 0.061 0.000 0.796 1427 G HN 0.167 nan 8.290 nan 0.000 0.620 1428 V N 2.576 122.495 119.914 0.008 0.000 2.220 1428 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 1428 V C 0.622 176.706 176.094 -0.017 0.000 1.056 1428 V CA 2.784 65.094 62.300 0.016 0.000 1.016 1428 V CB -1.369 30.452 31.823 -0.003 0.000 0.639 1428 V HN 0.320 nan 8.190 nan 0.000 0.446 1429 P HA -0.166 nan 4.420 nan 0.000 0.216 1429 P C 2.027 179.275 177.300 -0.087 0.000 1.157 1429 P CA 2.246 65.301 63.100 -0.074 0.000 0.880 1429 P CB -0.173 31.452 31.700 -0.126 0.000 0.791 1430 S N -0.922 114.719 115.700 -0.099 0.000 2.374 1430 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 1430 S C 1.973 176.454 174.600 -0.197 0.000 1.037 1430 S CA 1.446 59.552 58.200 -0.157 0.000 1.024 1430 S CB -1.258 61.852 63.200 -0.152 0.000 0.861 1430 S HN -0.027 nan 8.310 nan 0.000 0.456 1431 V N 2.172 122.001 119.914 -0.141 0.000 2.283 1431 V HA -0.129 3.991 4.120 -0.000 0.000 0.243 1431 V C 2.110 178.175 176.094 -0.048 0.000 1.039 1431 V CA 1.441 63.666 62.300 -0.126 0.000 1.016 1431 V CB -0.719 31.088 31.823 -0.026 0.000 0.650 1431 V HN 0.446 nan 8.190 nan 0.000 0.449 1432 I N 0.048 120.613 120.570 -0.009 0.000 2.151 1432 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 1432 I C 2.405 178.523 176.117 0.003 0.000 1.080 1432 I CA 1.592 62.907 61.300 0.024 0.000 1.339 1432 I CB -0.657 37.361 38.000 0.030 0.000 1.039 1432 I HN 0.176 nan 8.210 nan 0.000 0.409 1433 V N 1.225 121.106 119.914 -0.055 0.000 2.214 1433 V HA -0.346 3.774 4.120 -0.000 0.000 0.245 1433 V C 2.817 178.857 176.094 -0.091 0.000 1.047 1433 V CA 2.171 64.421 62.300 -0.083 0.000 0.998 1433 V CB -1.324 30.404 31.823 -0.157 0.000 0.633 1433 V HN 0.532 nan 8.190 nan 0.000 0.446 1434 A N 0.045 122.740 122.820 -0.208 0.000 1.909 1434 A HA -0.362 3.958 4.320 -0.000 0.000 0.221 1434 A C 2.323 179.924 177.584 0.028 0.000 1.223 1434 A CA 2.811 54.712 52.037 -0.227 0.000 0.658 1434 A CB -0.735 17.991 19.000 -0.456 0.000 0.831 1434 A HN 0.564 nan 8.150 nan 0.000 0.462 1435 R N -0.778 119.779 120.500 0.095 0.000 2.103 1435 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 1435 R C 2.127 178.533 176.300 0.175 0.000 1.132 1435 R CA 1.991 58.213 56.100 0.202 0.000 0.925 1435 R CB -0.652 29.756 30.300 0.179 0.000 0.842 1435 R HN 0.708 nan 8.270 nan 0.000 0.430 1436 N N -0.593 118.201 118.700 0.157 0.000 2.137 1436 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 1436 N C 1.705 177.401 175.510 0.311 0.000 1.017 1436 N CA 1.434 54.611 53.050 0.211 0.000 0.859 1436 N CB -0.236 38.379 38.487 0.213 0.000 1.002 1436 N HN 0.291 nan 8.380 nan 0.000 0.428 1437 H N 0.560 119.729 119.070 0.166 0.000 2.353 1437 H HA 0.033 4.589 4.556 -0.000 0.000 0.300 1437 H C 2.192 177.653 175.328 0.222 0.000 1.090 1437 H CA 1.460 57.647 56.048 0.231 0.000 1.327 1437 H CB 0.116 29.937 29.762 0.099 0.000 1.383 1437 H HN 0.085 nan 8.280 nan 0.000 0.508 1438 R N 0.387 121.032 120.500 0.242 0.000 2.070 1438 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 1438 R C 0.744 177.108 176.300 0.107 0.000 1.137 1438 R CA 1.942 58.141 56.100 0.165 0.000 0.945 1438 R CB -0.149 30.269 30.300 0.196 0.000 0.845 1438 R HN 0.345 nan 8.270 nan 0.000 0.430 1439 D N -0.025 120.445 120.400 0.116 0.000 2.348 1439 D HA -0.005 4.635 4.640 -0.000 0.000 0.248 1439 D C 0.628 176.960 176.300 0.054 0.000 1.142 1439 D CA 0.660 54.705 54.000 0.076 0.000 0.904 1439 D CB 0.737 41.585 40.800 0.080 0.000 0.901 1439 D HN 0.423 nan 8.370 nan 0.000 0.523 1440 A N -0.481 122.374 122.820 0.059 0.000 2.288 1440 A HA 0.472 4.792 4.320 -0.000 0.000 0.216 1440 A C 1.631 179.180 177.584 -0.058 0.000 1.199 1440 A CA 0.586 52.611 52.037 -0.020 0.000 0.891 1440 A CB 0.387 19.419 19.000 0.052 0.000 0.923 1440 A HN 0.190 nan 8.150 nan 0.000 0.500 1441 G N -1.484 107.305 108.800 -0.018 0.000 2.164 1441 G HA2 0.254 4.214 3.960 -0.000 0.000 0.212 1441 G HA3 0.254 4.214 3.960 -0.000 0.000 0.212 1441 G C 0.066 174.958 174.900 -0.012 0.000 1.031 1441 G CA 0.147 45.236 45.100 -0.019 0.000 0.730 1441 G HN 1.663 nan 8.290 nan 0.000 0.501 1442 A N -0.001 122.816 122.820 -0.004 0.000 2.343 1442 A HA 0.853 5.173 4.320 -0.000 0.000 0.308 1442 A C -2.419 175.235 177.584 0.117 0.000 1.092 1442 A CA -1.638 50.420 52.037 0.036 0.000 0.751 1442 A CB 1.646 20.623 19.000 -0.039 0.000 1.203 1442 A HN 0.060 nan 8.150 nan 0.000 0.452 1443 P HA 0.029 nan 4.420 nan 0.000 0.253 1443 P C -0.207 177.165 177.300 0.121 0.000 1.159 1443 P CA 1.211 64.356 63.100 0.075 0.000 0.779 1443 P CB 0.245 32.040 31.700 0.158 0.000 0.745 1444 T N 3.695 118.211 114.554 -0.064 0.000 2.888 1444 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 1444 T C -0.797 173.698 174.700 -0.340 0.000 1.017 1444 T CA -0.158 61.938 62.100 -0.006 0.000 1.022 1444 T CB 0.673 69.608 68.868 0.111 0.000 1.013 1444 T HN 0.090 nan 8.240 nan 0.000 0.465 1445 Y N 0.903 121.204 120.300 0.002 0.000 2.504 1445 Y HA 0.655 5.205 4.550 -0.000 0.000 0.344 1445 Y C -0.028 175.874 175.900 0.004 0.000 1.023 1445 Y CA -1.029 57.055 58.100 -0.027 0.000 1.020 1445 Y CB 1.970 40.175 38.460 -0.424 0.000 1.282 1445 Y HN 0.381 nan 8.280 nan 0.000 0.454 1446 M N 2.662 122.518 119.600 0.426 0.000 2.691 1446 M HA 0.593 5.073 4.480 -0.000 0.000 0.293 1446 M C -1.648 174.967 176.300 0.525 0.000 1.259 1446 M CA -0.989 54.439 55.300 0.213 0.000 0.827 1446 M CB 3.545 36.035 32.600 -0.184 0.000 1.753 1446 M HN 0.780 nan 8.290 nan 0.000 0.465 1447 Y N -1.510 118.929 120.300 0.232 0.000 2.702 1447 Y HA 0.651 5.201 4.550 0.000 0.000 0.336 1447 Y C -1.870 174.127 175.900 0.161 0.000 1.203 1447 Y CA -1.029 57.191 58.100 0.200 0.000 1.072 1447 Y CB 1.369 39.929 38.460 0.165 0.000 1.327 1447 Y HN 0.694 nan 8.280 nan 0.000 0.456 1448 E N 2.316 122.763 120.200 0.412 0.000 2.283 1448 E HA 0.350 4.700 4.350 -0.000 0.000 0.258 1448 E C -2.145 174.710 176.600 0.424 0.000 0.893 1448 E CA -0.726 55.841 56.400 0.279 0.000 0.798 1448 E CB 1.269 31.051 29.700 0.137 0.000 1.242 1448 E HN 0.591 nan 8.360 nan 0.000 0.414 1449 F N 3.210 123.376 119.950 0.359 0.000 2.389 1449 F HA 0.291 4.818 4.527 -0.000 0.000 0.337 1449 F C -0.184 175.728 175.800 0.188 0.000 1.112 1449 F CA 0.367 58.532 58.000 0.275 0.000 1.192 1449 F CB 1.082 40.265 39.000 0.306 0.000 1.185 1449 F HN 0.489 nan 8.300 nan 0.000 0.552 1450 Q N 6.049 125.656 119.800 -0.322 0.000 2.605 1450 Q HA 0.261 4.601 4.340 -0.000 0.000 0.228 1450 Q C -2.371 173.512 176.000 -0.194 0.000 0.805 1450 Q CA -0.582 55.156 55.803 -0.109 0.000 0.894 1450 Q CB 1.202 29.925 28.738 -0.026 0.000 1.469 1450 Q HN 0.790 nan 8.270 nan 0.000 0.445 1451 Y N 1.251 121.417 120.300 -0.223 0.000 2.687 1451 Y HA 0.391 4.941 4.550 -0.000 0.000 0.338 1451 Y C -2.148 173.753 175.900 0.001 0.000 1.189 1451 Y CA -0.737 57.261 58.100 -0.170 0.000 1.097 1451 Y CB 1.388 39.663 38.460 -0.309 0.000 1.342 1451 Y HN 0.571 nan 8.280 nan 0.000 0.461 1452 R N 5.636 125.707 120.500 -0.715 0.000 2.363 1452 R HA 0.445 4.785 4.340 -0.000 0.000 0.297 1452 R C -2.808 173.130 176.300 -0.603 0.000 1.208 1452 R CA -2.039 53.788 56.100 -0.454 0.000 1.121 1452 R CB 0.916 31.002 30.300 -0.358 0.000 1.124 1452 R HN 0.436 nan 8.270 nan 0.000 0.561 1453 P HA -0.036 nan 4.420 nan 0.000 0.267 1453 P C 0.196 177.179 177.300 -0.529 0.000 1.200 1453 P CA 0.151 63.072 63.100 -0.299 0.000 0.772 1453 P CB 1.221 32.798 31.700 -0.204 0.000 0.855 1454 S N 0.665 115.914 115.700 -0.752 0.000 2.561 1454 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 1454 S C 1.131 175.405 174.600 -0.542 0.000 0.977 1454 S CA 0.227 58.056 58.200 -0.618 0.000 0.926 1454 S CB -1.058 61.803 63.200 -0.566 0.000 0.769 1454 S HN 0.460 nan 8.310 nan 0.000 0.533 1455 F N 1.992 121.694 119.950 -0.413 0.000 2.732 1455 F HA 0.330 4.857 4.527 0.000 0.000 0.303 1455 F C 1.195 176.680 175.800 -0.526 0.000 1.110 1455 F CA -0.742 56.939 58.000 -0.532 0.000 1.355 1455 F CB -0.133 38.317 39.000 -0.918 0.000 1.081 1455 F HN 0.054 nan 8.300 nan 0.000 0.565 1456 S N 0.149 115.661 115.700 -0.313 0.000 2.580 1456 S HA 0.012 4.482 4.470 -0.000 0.000 0.266 1456 S C 0.513 175.036 174.600 -0.128 0.000 1.354 1456 S CA -0.525 57.558 58.200 -0.195 0.000 1.008 1456 S CB 0.951 64.010 63.200 -0.235 0.000 0.898 1456 S HN 0.220 nan 8.310 nan 0.000 0.555 1457 S N 0.038 115.667 115.700 -0.118 0.000 2.549 1457 S HA 0.039 4.509 4.470 -0.000 0.000 0.283 1457 S C 0.810 175.277 174.600 -0.222 0.000 1.320 1457 S CA -0.522 57.618 58.200 -0.100 0.000 1.058 1457 S CB 0.298 63.511 63.200 0.021 0.000 0.882 1457 S HN 0.655 nan 8.310 nan 0.000 0.498 1458 D N 3.235 123.563 120.400 -0.120 0.000 2.311 1458 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 1458 D C 1.359 177.559 176.300 -0.165 0.000 0.972 1458 D CA 1.406 55.330 54.000 -0.126 0.000 0.887 1458 D CB 0.014 40.777 40.800 -0.062 0.000 0.915 1458 D HN 0.619 nan 8.370 nan 0.000 0.497 1459 M N -0.553 118.940 119.600 -0.178 0.000 2.495 1459 M HA 0.056 4.536 4.480 -0.000 0.000 0.237 1459 M C 0.475 176.470 176.300 -0.508 0.000 1.131 1459 M CA 0.054 55.265 55.300 -0.148 0.000 1.032 1459 M CB 0.354 33.034 32.600 0.133 0.000 1.513 1459 M HN -0.247 nan 8.290 nan 0.000 0.488 1460 K N 3.268 123.104 120.400 -0.940 0.000 2.264 1460 K HA 0.265 4.585 4.320 -0.000 0.000 0.277 1460 K C -2.278 173.927 176.600 -0.659 0.000 1.067 1460 K CA -1.845 53.589 56.287 -1.423 0.000 0.900 1460 K CB 0.876 32.453 32.500 -1.539 0.000 1.124 1460 K HN -0.107 nan 8.250 nan 0.000 0.469 1461 P HA -0.051 nan 4.420 nan 0.000 0.264 1461 P C -0.529 176.645 177.300 -0.210 0.000 1.193 1461 P CA 0.166 63.122 63.100 -0.240 0.000 0.763 1461 P CB 0.794 32.416 31.700 -0.130 0.000 0.810 1462 K N 1.279 121.576 120.400 -0.170 0.000 2.318 1462 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 1462 K C 1.533 178.057 176.600 -0.126 0.000 1.044 1462 K CA 2.116 58.311 56.287 -0.153 0.000 0.932 1462 K CB -0.799 31.627 32.500 -0.124 0.000 0.734 1462 K HN 0.580 nan 8.250 nan 0.000 0.473 1463 T N -0.196 114.301 114.554 -0.095 0.000 3.055 1463 T HA 0.018 4.368 4.350 -0.000 0.000 0.265 1463 T C 0.913 175.588 174.700 -0.041 0.000 1.111 1463 T CA 0.176 62.242 62.100 -0.057 0.000 1.118 1463 T CB 0.018 68.871 68.868 -0.025 0.000 0.909 1463 T HN -0.096 nan 8.240 nan 0.000 0.501 1464 V N 3.032 122.913 119.914 -0.055 0.000 2.242 1464 V HA 0.213 4.333 4.120 -0.000 0.000 0.242 1464 V C -0.039 176.049 176.094 -0.008 0.000 1.240 1464 V CA -0.550 61.748 62.300 -0.003 0.000 1.211 1464 V CB -1.424 30.410 31.823 0.019 0.000 1.338 1464 V HN 0.296 nan 8.190 nan 0.000 0.499 1465 I N 3.658 124.227 120.570 -0.002 0.000 2.342 1465 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 1465 I C 1.156 177.312 176.117 0.064 0.000 1.010 1465 I CA 0.674 61.969 61.300 -0.009 0.000 1.308 1465 I CB 1.071 39.046 38.000 -0.041 0.000 1.400 1465 I HN 0.714 nan 8.210 nan 0.000 0.488 1466 G N 3.857 112.730 108.800 0.121 0.000 2.248 1466 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 1466 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 1466 G C 0.062 175.089 174.900 0.213 0.000 1.082 1466 G CA -0.032 45.202 45.100 0.224 0.000 0.863 1466 G HN 0.642 nan 8.290 nan 0.000 0.495 1467 D N -0.722 119.805 120.400 0.212 0.000 2.372 1467 D HA 0.297 4.937 4.640 -0.000 0.000 0.243 1467 D C 0.892 177.328 176.300 0.227 0.000 1.297 1467 D CA -0.307 53.826 54.000 0.221 0.000 0.958 1467 D CB 0.316 41.285 40.800 0.281 0.000 1.114 1467 D HN 0.397 nan 8.370 nan 0.000 0.496 1468 H N -1.078 118.064 119.070 0.122 0.000 2.929 1468 H HA 0.361 4.917 4.556 -0.000 0.000 0.317 1468 H C 1.217 176.726 175.328 0.302 0.000 1.031 1468 H CA 1.565 57.676 56.048 0.106 0.000 1.466 1468 H CB 0.195 29.961 29.762 0.007 0.000 1.482 1468 H HN 0.544 nan 8.280 nan 0.000 0.561 1469 G N 3.973 112.727 108.800 -0.076 0.000 2.195 1469 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.246 1469 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.246 1469 G C 1.115 176.125 174.900 0.183 0.000 0.984 1469 G CA 0.489 45.630 45.100 0.068 0.000 0.633 1469 G HN 0.664 nan 8.290 nan 0.000 0.525 1470 D N 0.870 121.432 120.400 0.269 0.000 2.309 1470 D HA 0.006 4.646 4.640 -0.000 0.000 0.212 1470 D C 2.349 178.752 176.300 0.172 0.000 0.968 1470 D CA 1.363 55.600 54.000 0.394 0.000 0.882 1470 D CB 0.102 41.151 40.800 0.415 0.000 0.918 1470 D HN 0.705 nan 8.370 nan 0.000 0.503 1471 E N 0.664 120.680 120.200 -0.306 0.000 2.385 1471 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 1471 E C 1.911 178.301 176.600 -0.351 0.000 1.013 1471 E CA 0.125 55.967 56.400 -0.930 0.000 0.866 1471 E CB -0.488 28.523 29.700 -1.148 0.000 0.832 1471 E HN 0.311 nan 8.360 nan 0.000 0.500 1472 L N 0.016 121.138 121.223 -0.169 0.000 1.989 1472 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 1472 L C 2.609 179.407 176.870 -0.122 0.000 1.071 1472 L CA 1.787 56.528 54.840 -0.164 0.000 0.749 1472 L CB -0.825 40.996 42.059 -0.396 0.000 0.890 1472 L HN 0.002 nan 8.230 nan 0.000 0.431 1473 F N 0.049 120.027 119.950 0.046 0.000 2.184 1473 F HA -0.284 4.243 4.527 -0.000 0.000 0.301 1473 F C 2.634 178.503 175.800 0.114 0.000 1.076 1473 F CA 1.648 59.727 58.000 0.132 0.000 1.295 1473 F CB -0.584 38.645 39.000 0.381 0.000 1.026 1473 F HN 0.049 nan 8.300 nan 0.000 0.494 1474 S N -0.702 115.109 115.700 0.185 0.000 2.421 1474 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 1474 S C 2.161 176.686 174.600 -0.125 0.000 1.035 1474 S CA 0.679 58.912 58.200 0.054 0.000 0.953 1474 S CB -0.313 62.906 63.200 0.031 0.000 0.810 1474 S HN 0.126 nan 8.310 nan 0.000 0.497 1475 V N 0.712 120.484 119.914 -0.238 0.000 2.594 1475 V HA -0.055 4.065 4.120 -0.000 0.000 0.253 1475 V C 0.986 176.837 176.094 -0.405 0.000 1.069 1475 V CA 1.479 63.522 62.300 -0.428 0.000 1.082 1475 V CB -0.666 30.952 31.823 -0.342 0.000 0.680 1475 V HN 0.444 nan 8.190 nan 0.000 0.469 1476 F N 0.268 120.087 119.950 -0.219 0.000 2.750 1476 F HA 0.513 5.039 4.527 -0.000 0.000 0.297 1476 F C 1.620 177.352 175.800 -0.114 0.000 1.138 1476 F CA 0.168 58.048 58.000 -0.200 0.000 1.346 1476 F CB -0.004 38.822 39.000 -0.291 0.000 0.965 1476 F HN 0.190 nan 8.300 nan 0.000 0.514 1477 G N 0.778 109.613 108.800 0.058 0.000 2.321 1477 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.287 1477 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.287 1477 G C 1.423 176.472 174.900 0.248 0.000 1.018 1477 G CA 0.454 45.688 45.100 0.224 0.000 0.855 1477 G HN 0.610 nan 8.290 nan 0.000 0.507 1478 A N 0.221 123.112 122.820 0.118 0.000 1.958 1478 A HA 0.015 4.335 4.320 -0.000 0.000 0.221 1478 A C 0.677 178.141 177.584 -0.200 0.000 1.178 1478 A CA 2.261 54.242 52.037 -0.093 0.000 0.642 1478 A CB -0.884 18.040 19.000 -0.127 0.000 0.816 1478 A HN 0.488 nan 8.150 nan 0.000 0.453 1479 P HA -0.108 nan 4.420 nan 0.000 0.221 1479 P C 0.509 177.595 177.300 -0.358 0.000 1.145 1479 P CA 0.885 63.927 63.100 -0.097 0.000 0.795 1479 P CB -0.148 31.372 31.700 -0.300 0.000 0.775 1480 F N -2.350 117.621 119.950 0.034 0.000 2.765 1480 F HA 0.209 4.736 4.527 -0.000 0.000 0.302 1480 F C 1.680 177.498 175.800 0.030 0.000 1.111 1480 F CA 0.448 58.486 58.000 0.063 0.000 1.359 1480 F CB -0.226 38.843 39.000 0.115 0.000 1.097 1480 F HN -0.159 nan 8.300 nan 0.000 0.577 1481 L N -1.583 119.685 121.223 0.075 0.000 2.806 1481 L HA 0.228 4.568 4.340 -0.000 0.000 0.242 1481 L C 0.434 177.276 176.870 -0.046 0.000 1.068 1481 L CA 0.040 54.894 54.840 0.022 0.000 0.923 1481 L CB 0.235 42.288 42.059 -0.009 0.000 1.364 1481 L HN -0.254 nan 8.230 nan 0.000 0.511 1482 K N 1.525 121.841 120.400 -0.141 0.000 2.130 1482 K HA 0.367 4.687 4.320 -0.000 0.000 0.268 1482 K C -0.533 176.062 176.600 -0.009 0.000 0.983 1482 K CA -0.430 55.765 56.287 -0.153 0.000 0.893 1482 K CB 1.722 33.949 32.500 -0.455 0.000 1.066 1482 K HN -0.024 nan 8.250 nan 0.000 0.450 1483 E N 0.058 120.279 120.200 0.035 0.000 2.390 1483 E HA 0.185 4.535 4.350 -0.000 0.000 0.261 1483 E C 0.206 176.874 176.600 0.114 0.000 1.076 1483 E CA 0.106 56.544 56.400 0.063 0.000 0.905 1483 E CB 0.602 30.325 29.700 0.040 0.000 0.984 1483 E HN 0.747 nan 8.360 nan 0.000 0.427 1484 G N 0.998 109.841 108.800 0.072 0.000 2.392 1484 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.290 1484 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.290 1484 G C -0.362 174.561 174.900 0.038 0.000 1.032 1484 G CA 0.071 45.199 45.100 0.047 0.000 1.269 1484 G HN 0.595 nan 8.290 nan 0.000 0.511 1485 A N 1.319 124.154 122.820 0.025 0.000 2.311 1485 A HA 0.885 5.205 4.320 -0.000 0.000 0.306 1485 A C 0.683 178.232 177.584 -0.058 0.000 1.189 1485 A CA 0.443 52.459 52.037 -0.035 0.000 0.791 1485 A CB 0.819 19.847 19.000 0.047 0.000 1.172 1485 A HN 2.141 nan 8.150 nan 0.000 0.481 1486 S N 1.727 117.383 115.700 -0.074 0.000 2.573 1486 S HA 0.004 4.474 4.470 -0.000 0.000 0.297 1486 S C 0.892 175.468 174.600 -0.041 0.000 1.280 1486 S CA 0.518 58.689 58.200 -0.048 0.000 1.061 1486 S CB 0.704 63.880 63.200 -0.041 0.000 0.812 1486 S HN 0.835 nan 8.310 nan 0.000 0.500 1487 E N 1.375 121.556 120.200 -0.030 0.000 2.339 1487 E HA -0.260 4.090 4.350 -0.000 0.000 0.201 1487 E C 1.655 178.237 176.600 -0.030 0.000 1.015 1487 E CA 1.937 58.321 56.400 -0.027 0.000 0.841 1487 E CB -0.260 29.432 29.700 -0.013 0.000 0.754 1487 E HN 0.922 nan 8.360 nan 0.000 0.508 1488 E N -0.159 120.028 120.200 -0.023 0.000 2.076 1488 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 1488 E C 1.973 178.531 176.600 -0.071 0.000 0.979 1488 E CA 0.977 57.364 56.400 -0.023 0.000 0.807 1488 E CB -0.155 29.562 29.700 0.029 0.000 0.761 1488 E HN 0.406 nan 8.360 nan 0.000 0.454 1489 E N 0.454 120.624 120.200 -0.050 0.000 2.051 1489 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 1489 E C 2.114 178.643 176.600 -0.120 0.000 0.991 1489 E CA 1.485 57.826 56.400 -0.099 0.000 0.799 1489 E CB -0.052 29.612 29.700 -0.060 0.000 0.748 1489 E HN 0.359 nan 8.360 nan 0.000 0.449 1490 I N 0.397 120.889 120.570 -0.129 0.000 2.142 1490 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 1490 I C 2.791 178.885 176.117 -0.038 0.000 1.078 1490 I CA 1.218 62.409 61.300 -0.181 0.000 1.343 1490 I CB -0.427 37.457 38.000 -0.193 0.000 1.046 1490 I HN 0.102 nan 8.210 nan 0.000 0.405 1491 R N 0.906 121.385 120.500 -0.035 0.000 2.103 1491 R HA -0.248 4.092 4.340 -0.000 0.000 0.242 1491 R C 2.359 178.630 176.300 -0.048 0.000 1.142 1491 R CA 1.821 57.910 56.100 -0.020 0.000 0.960 1491 R CB -0.336 29.944 30.300 -0.033 0.000 0.858 1491 R HN 0.231 nan 8.270 nan 0.000 0.439 1492 L N 0.372 121.531 121.223 -0.107 0.000 1.948 1492 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 1492 L C 2.356 179.179 176.870 -0.077 0.000 1.074 1492 L CA 2.508 57.259 54.840 -0.148 0.000 0.753 1492 L CB -1.283 40.579 42.059 -0.328 0.000 0.888 1492 L HN 0.213 nan 8.230 nan 0.000 0.432 1493 S N -0.695 114.980 115.700 -0.043 0.000 2.381 1493 S HA -0.342 4.128 4.470 -0.000 0.000 0.230 1493 S C 2.099 176.698 174.600 -0.002 0.000 1.052 1493 S CA 2.172 60.380 58.200 0.014 0.000 1.068 1493 S CB -0.387 62.887 63.200 0.124 0.000 0.918 1493 S HN 0.557 nan 8.310 nan 0.000 0.448 1494 K N 0.176 120.606 120.400 0.051 0.000 2.074 1494 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 1494 K C 2.366 178.914 176.600 -0.085 0.000 1.048 1494 K CA 1.858 58.138 56.287 -0.011 0.000 0.926 1494 K CB -0.330 32.204 32.500 0.057 0.000 0.713 1494 K HN 0.540 nan 8.250 nan 0.000 0.444 1495 M N 0.934 120.473 119.600 -0.101 0.000 2.067 1495 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 1495 M C 2.026 178.229 176.300 -0.161 0.000 1.069 1495 M CA 1.599 56.778 55.300 -0.203 0.000 1.117 1495 M CB -0.070 32.444 32.600 -0.144 0.000 1.334 1495 M HN -0.057 nan 8.290 nan 0.000 0.407 1496 V N 1.473 121.346 119.914 -0.069 0.000 2.220 1496 V HA -0.397 3.723 4.120 -0.000 0.000 0.250 1496 V C 2.505 178.499 176.094 -0.167 0.000 1.056 1496 V CA 2.618 64.828 62.300 -0.149 0.000 1.016 1496 V CB -0.914 30.686 31.823 -0.372 0.000 0.639 1496 V HN 0.599 nan 8.190 nan 0.000 0.446 1497 M N -0.892 118.584 119.600 -0.206 0.000 2.088 1497 M HA -0.261 4.219 4.480 -0.000 0.000 0.256 1497 M C 2.387 178.690 176.300 0.005 0.000 1.071 1497 M CA 1.985 57.200 55.300 -0.143 0.000 1.097 1497 M CB -0.737 31.761 32.600 -0.170 0.000 1.315 1497 M HN 0.237 nan 8.290 nan 0.000 0.406 1498 K N 0.252 120.631 120.400 -0.035 0.000 2.015 1498 K HA -0.161 4.159 4.320 -0.000 0.000 0.216 1498 K C 1.840 178.514 176.600 0.123 0.000 1.052 1498 K CA 1.911 58.184 56.287 -0.024 0.000 0.937 1498 K CB -0.747 31.652 32.500 -0.169 0.000 0.719 1498 K HN 0.337 nan 8.250 nan 0.000 0.446 1499 F N -0.366 119.700 119.950 0.194 0.000 2.043 1499 F HA -0.295 4.233 4.527 0.000 0.000 0.297 1499 F C 2.647 178.662 175.800 0.358 0.000 1.121 1499 F CA 0.990 59.182 58.000 0.320 0.000 1.199 1499 F CB -0.391 38.959 39.000 0.582 0.000 0.968 1499 F HN 0.279 nan 8.300 nan 0.000 0.478 1500 W N 0.040 121.436 121.300 0.160 0.000 2.333 1500 W HA -0.280 4.380 4.660 -0.000 0.000 0.316 1500 W C 2.663 179.191 176.519 0.014 0.000 1.215 1500 W CA 0.744 58.101 57.345 0.021 0.000 1.278 1500 W CB -0.666 28.753 29.460 -0.068 0.000 1.154 1500 W HN 0.026 nan 8.180 nan 0.000 0.486 1501 A N 0.679 123.641 122.820 0.237 0.000 1.908 1501 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 1501 A C 1.734 179.375 177.584 0.094 0.000 1.181 1501 A CA 1.887 53.985 52.037 0.103 0.000 0.627 1501 A CB -1.100 17.937 19.000 0.063 0.000 0.818 1501 A HN 0.288 nan 8.150 nan 0.000 0.445 1502 N N -0.989 117.791 118.700 0.133 0.000 2.104 1502 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 1502 N C 1.454 177.017 175.510 0.087 0.000 1.024 1502 N CA 1.486 54.598 53.050 0.103 0.000 0.853 1502 N CB -0.565 38.006 38.487 0.140 0.000 1.008 1502 N HN 0.497 nan 8.380 nan 0.000 0.424 1503 F N 1.938 121.835 119.950 -0.088 0.000 2.095 1503 F HA -0.128 4.399 4.527 0.000 0.000 0.298 1503 F C 2.310 178.041 175.800 -0.116 0.000 1.104 1503 F CA 1.256 59.147 58.000 -0.181 0.000 1.232 1503 F CB -0.704 38.114 39.000 -0.303 0.000 0.987 1503 F HN 0.030 nan 8.300 nan 0.000 0.475 1504 A N 0.374 123.150 122.820 -0.073 0.000 1.908 1504 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 1504 A C 2.401 179.911 177.584 -0.123 0.000 1.181 1504 A CA 1.895 53.847 52.037 -0.140 0.000 0.627 1504 A CB -0.711 18.244 19.000 -0.074 0.000 0.818 1504 A HN 0.447 nan 8.150 nan 0.000 0.445 1505 R N -0.946 119.514 120.500 -0.068 0.000 2.075 1505 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 1505 R C 0.985 177.243 176.300 -0.069 0.000 1.126 1505 R CA 1.482 57.553 56.100 -0.050 0.000 0.963 1505 R CB -0.145 30.148 30.300 -0.011 0.000 0.858 1505 R HN 0.546 nan 8.270 nan 0.000 0.435 1506 N N -1.855 116.797 118.700 -0.080 0.000 2.193 1506 N HA 0.067 4.807 4.740 -0.000 0.000 0.210 1506 N C 0.534 175.974 175.510 -0.117 0.000 1.215 1506 N CA 0.837 53.845 53.050 -0.070 0.000 0.901 1506 N CB 1.934 40.411 38.487 -0.017 0.000 1.060 1506 N HN 0.324 nan 8.380 nan 0.000 0.508 1507 G N 1.849 110.489 108.800 -0.266 0.000 2.137 1507 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.237 1507 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.237 1507 G C -0.246 174.613 174.900 -0.068 0.000 1.002 1507 G CA 0.072 44.902 45.100 -0.449 0.000 0.702 1507 G HN 0.416 nan 8.290 nan 0.000 0.515 1508 N N -0.296 118.411 118.700 0.011 0.000 2.519 1508 N HA 0.343 5.083 4.740 -0.000 0.000 0.291 1508 N C -1.377 174.057 175.510 -0.127 0.000 1.107 1508 N CA -1.136 51.867 53.050 -0.079 0.000 0.904 1508 N CB 2.266 40.769 38.487 0.027 0.000 1.500 1508 N HN -0.049 nan 8.380 nan 0.000 0.510 1509 P HA -0.125 nan 4.420 nan 0.000 0.218 1509 P C 0.031 177.462 177.300 0.218 0.000 1.148 1509 P CA 0.746 63.712 63.100 -0.222 0.000 0.822 1509 P CB 0.290 31.360 31.700 -1.050 0.000 0.784 1510 N N 0.744 119.500 118.700 0.093 0.000 2.305 1510 N HA 0.209 4.949 4.740 -0.000 0.000 0.232 1510 N C 0.963 176.602 175.510 0.214 0.000 1.274 1510 N CA 1.441 54.648 53.050 0.262 0.000 0.870 1510 N CB 0.186 38.771 38.487 0.164 0.000 1.105 1510 N HN 0.195 nan 8.380 nan 0.000 0.436 1511 G N -0.408 108.515 108.800 0.205 0.000 2.387 1511 G HA2 0.133 4.093 3.960 -0.000 0.000 0.294 1511 G HA3 0.133 4.093 3.960 -0.000 0.000 0.294 1511 G C -1.495 173.461 174.900 0.093 0.000 1.509 1511 G CA -0.799 44.372 45.100 0.119 0.000 0.806 1511 G HN 0.556 nan 8.290 nan 0.000 0.546 1512 E N -0.213 120.026 120.200 0.065 0.000 2.161 1512 E HA 0.436 4.785 4.350 -0.000 0.000 0.263 1512 E C 0.981 177.595 176.600 0.023 0.000 1.185 1512 E CA 0.132 56.562 56.400 0.050 0.000 0.938 1512 E CB 0.361 30.086 29.700 0.042 0.000 1.023 1512 E HN 2.001 nan 8.360 nan 0.000 0.433 1513 G N 3.340 112.154 108.800 0.023 0.000 2.198 1513 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.156 1513 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.156 1513 G C -0.196 174.681 174.900 -0.039 0.000 1.012 1513 G CA -0.412 44.685 45.100 -0.005 0.000 0.692 1513 G HN 0.431 nan 8.290 nan 0.000 0.492 1514 L N 0.224 121.440 121.223 -0.011 0.000 2.408 1514 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 1514 L C -2.208 174.779 176.870 0.195 0.000 0.986 1514 L CA -2.328 52.486 54.840 -0.044 0.000 0.820 1514 L CB 1.907 43.773 42.059 -0.322 0.000 1.303 1514 L HN -0.168 nan 8.230 nan 0.000 0.411 1515 P HA -0.066 nan 4.420 nan 0.000 0.269 1515 P C -0.745 176.791 177.300 0.392 0.000 1.205 1515 P CA 0.031 63.305 63.100 0.289 0.000 0.780 1515 P CB 0.264 32.109 31.700 0.242 0.000 0.858 1516 H N 0.950 120.146 119.070 0.210 0.000 2.732 1516 H HA 0.206 4.762 4.556 -0.000 0.000 0.351 1516 H C -1.020 174.462 175.328 0.257 0.000 1.090 1516 H CA 0.272 56.459 56.048 0.232 0.000 1.431 1516 H CB 0.286 30.143 29.762 0.158 0.000 1.447 1516 H HN 0.342 nan 8.280 nan 0.000 0.582 1517 W N 8.227 129.256 121.300 -0.452 0.000 2.453 1517 W HA 0.327 4.987 4.660 -0.000 0.000 0.310 1517 W C -2.967 173.393 176.519 -0.266 0.000 1.000 1517 W CA -3.120 54.052 57.345 -0.288 0.000 1.367 1517 W CB 1.024 30.289 29.460 -0.326 0.000 1.269 1517 W HN 0.593 nan 8.180 nan 0.000 0.418 1518 P HA 0.007 nan 4.420 nan 0.000 0.276 1518 P C -0.196 177.359 177.300 0.426 0.000 1.235 1518 P CA 0.415 63.696 63.100 0.301 0.000 0.772 1518 P CB 0.715 32.562 31.700 0.245 0.000 0.871 1519 E N 3.542 123.884 120.200 0.237 0.000 2.265 1519 E HA -0.032 4.318 4.350 -0.000 0.000 0.272 1519 E C -0.688 175.921 176.600 0.015 0.000 1.067 1519 E CA -0.517 55.807 56.400 -0.126 0.000 0.900 1519 E CB 0.159 29.670 29.700 -0.315 0.000 1.017 1519 E HN 0.369 nan 8.360 nan 0.000 0.431 1520 Y N 6.114 126.377 120.300 -0.062 0.000 2.829 1520 Y HA -0.167 4.383 4.550 -0.000 0.000 0.383 1520 Y C 0.215 176.101 175.900 -0.022 0.000 1.382 1520 Y CA 0.634 58.746 58.100 0.019 0.000 1.858 1520 Y CB -0.559 37.917 38.460 0.027 0.000 1.331 1520 Y HN 0.530 nan 8.280 nan 0.000 0.475 1521 N N 0.839 119.485 118.700 -0.090 0.000 3.178 1521 N HA 0.178 4.918 4.740 -0.000 0.000 0.352 1521 N C 0.737 176.175 175.510 -0.120 0.000 1.423 1521 N CA -0.258 52.751 53.050 -0.068 0.000 0.698 1521 N CB -0.057 38.413 38.487 -0.029 0.000 1.400 1521 N HN 0.219 nan 8.380 nan 0.000 0.586 1522 Q N 0.015 119.776 119.800 -0.064 0.000 2.096 1522 Q HA -0.097 4.243 4.340 -0.000 0.000 0.208 1522 Q C -0.281 175.659 176.000 -0.101 0.000 0.993 1522 Q CA 1.624 57.391 55.803 -0.060 0.000 0.862 1522 Q CB -0.599 28.123 28.738 -0.028 0.000 0.915 1522 Q HN 0.499 nan 8.270 nan 0.000 0.416 1523 K N 1.531 121.874 120.400 -0.096 0.000 2.298 1523 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 1523 K C -0.430 176.025 176.600 -0.241 0.000 1.032 1523 K CA -0.046 56.178 56.287 -0.105 0.000 0.958 1523 K CB 0.648 33.123 32.500 -0.041 0.000 0.978 1523 K HN 0.186 nan 8.250 nan 0.000 0.472 1524 E N 1.788 121.811 120.200 -0.295 0.000 2.232 1524 E HA 0.068 4.418 4.350 -0.000 0.000 0.296 1524 E C 0.039 176.551 176.600 -0.147 0.000 1.372 1524 E CA -0.457 55.544 56.400 -0.665 0.000 1.527 1524 E CB 0.444 29.840 29.700 -0.508 0.000 1.424 1524 E HN 0.604 nan 8.360 nan 0.000 0.485 1525 G N 1.422 110.211 108.800 -0.018 0.000 2.353 1525 G HA2 0.349 4.309 3.960 -0.000 0.000 0.284 1525 G HA3 0.349 4.309 3.960 -0.000 0.000 0.284 1525 G C -0.483 174.670 174.900 0.422 0.000 1.172 1525 G CA -0.283 44.926 45.100 0.181 0.000 0.854 1525 G HN 0.295 nan 8.290 nan 0.000 0.485 1526 Y N 0.732 121.182 120.300 0.250 0.000 2.968 1526 Y HA 0.808 5.358 4.550 -0.000 0.000 0.316 1526 Y C -0.753 175.149 175.900 0.004 0.000 1.359 1526 Y CA -1.831 56.409 58.100 0.234 0.000 1.107 1526 Y CB 1.696 40.275 38.460 0.199 0.000 1.374 1526 Y HN 0.475 nan 8.280 nan 0.000 0.621 1527 L N 1.751 122.914 121.223 -0.099 0.000 2.427 1527 L HA 0.412 4.752 4.340 -0.000 0.000 0.264 1527 L C -1.263 175.486 176.870 -0.202 0.000 0.989 1527 L CA -0.495 54.057 54.840 -0.481 0.000 0.865 1527 L CB 1.619 42.872 42.059 -1.342 0.000 1.209 1527 L HN 0.687 nan 8.230 nan 0.000 0.430 1528 Q N 5.060 124.764 119.800 -0.160 0.000 2.274 1528 Q HA 0.352 4.692 4.340 -0.000 0.000 0.280 1528 Q C -0.830 175.122 176.000 -0.080 0.000 1.047 1528 Q CA 0.609 56.416 55.803 0.006 0.000 0.907 1528 Q CB 1.106 29.838 28.738 -0.009 0.000 1.171 1528 Q HN 0.619 nan 8.270 nan 0.000 0.381 1529 I N 1.695 122.237 120.570 -0.047 0.000 2.441 1529 I HA 0.712 4.882 4.170 -0.000 0.000 0.295 1529 I C 0.609 176.525 176.117 -0.334 0.000 0.994 1529 I CA -0.370 60.843 61.300 -0.146 0.000 1.144 1529 I CB 1.862 39.838 38.000 -0.039 0.000 1.314 1529 I HN 0.804 nan 8.210 nan 0.000 0.445 1530 G N 3.028 111.639 108.800 -0.314 0.000 2.404 1530 G HA2 0.288 4.248 3.960 -0.000 0.000 0.253 1530 G HA3 0.288 4.248 3.960 -0.000 0.000 0.253 1530 G C 0.281 175.061 174.900 -0.200 0.000 1.253 1530 G CA -0.004 44.892 45.100 -0.341 0.000 0.917 1530 G HN 0.612 nan 8.290 nan 0.000 0.480 1531 A N -0.587 122.198 122.820 -0.059 0.000 1.948 1531 A HA 0.053 4.372 4.320 -0.000 0.000 0.220 1531 A C 1.049 178.609 177.584 -0.040 0.000 1.177 1531 A CA 1.800 53.823 52.037 -0.022 0.000 0.636 1531 A CB -0.375 18.669 19.000 0.074 0.000 0.815 1531 A HN 0.472 nan 8.150 nan 0.000 0.449 1532 N N 0.738 119.414 118.700 -0.040 0.000 2.800 1532 N HA 0.188 4.928 4.740 -0.000 0.000 0.240 1532 N C -1.295 174.186 175.510 -0.049 0.000 1.096 1532 N CA 0.028 53.057 53.050 -0.034 0.000 0.877 1532 N CB 1.111 39.585 38.487 -0.022 0.000 1.138 1532 N HN 0.080 nan 8.380 nan 0.000 0.509 1533 T N 2.755 117.282 114.554 -0.045 0.000 2.992 1533 T HA 0.115 4.465 4.350 -0.000 0.000 0.299 1533 T C 0.444 175.120 174.700 -0.039 0.000 1.027 1533 T CA -0.399 61.672 62.100 -0.049 0.000 1.001 1533 T CB 0.081 68.946 68.868 -0.005 0.000 1.005 1533 T HN 0.371 nan 8.240 nan 0.000 0.599 1534 Q N 1.763 121.519 119.800 -0.073 0.000 2.451 1534 Q HA 0.780 5.120 4.340 -0.000 0.000 0.281 1534 Q C -0.500 175.413 176.000 -0.146 0.000 1.099 1534 Q CA -1.113 54.648 55.803 -0.070 0.000 0.806 1534 Q CB 1.623 30.334 28.738 -0.045 0.000 1.419 1534 Q HN 0.377 nan 8.270 nan 0.000 0.427 1535 A N 1.174 123.913 122.820 -0.136 0.000 2.307 1535 A HA 0.752 5.072 4.320 -0.000 0.000 0.271 1535 A C 0.045 177.441 177.584 -0.314 0.000 1.188 1535 A CA 0.675 52.577 52.037 -0.224 0.000 0.810 1535 A CB -0.364 18.581 19.000 -0.093 0.000 1.123 1535 A HN 1.544 nan 8.150 nan 0.000 0.509 1536 A N -2.250 120.290 122.820 -0.467 0.000 2.410 1536 A HA 0.619 4.939 4.320 -0.000 0.000 0.300 1536 A C -1.243 176.085 177.584 -0.427 0.000 1.077 1536 A CA -0.539 51.210 52.037 -0.481 0.000 0.610 1536 A CB 0.473 19.058 19.000 -0.692 0.000 1.371 1536 A HN 0.850 nan 8.150 nan 0.000 0.510 1537 Q N -0.180 119.568 119.800 -0.086 0.000 2.553 1537 Q HA 0.548 4.888 4.340 -0.000 0.000 0.293 1537 Q C -1.308 174.917 176.000 0.375 0.000 1.038 1537 Q CA -1.048 54.855 55.803 0.166 0.000 0.777 1537 Q CB 1.897 30.676 28.738 0.068 0.000 1.487 1537 Q HN 0.711 nan 8.270 nan 0.000 0.426 1538 K N 1.088 121.663 120.400 0.291 0.000 4.007 1538 K HA -0.214 4.106 4.320 -0.000 0.000 0.279 1538 K C -0.514 176.232 176.600 0.244 0.000 0.919 1538 K CA -0.004 56.416 56.287 0.222 0.000 0.800 1538 K CB -1.272 31.306 32.500 0.131 0.000 1.572 1538 K HN 0.376 nan 8.250 nan 0.000 0.443 1539 L N 2.576 123.926 121.223 0.211 0.000 2.477 1539 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 1539 L C 0.258 177.101 176.870 -0.046 0.000 1.157 1539 L CA 0.439 55.159 54.840 -0.200 0.000 0.889 1539 L CB 0.287 41.926 42.059 -0.701 0.000 1.158 1539 L HN 0.303 nan 8.230 nan 0.000 0.473 1540 K N 3.673 124.054 120.400 -0.031 0.000 3.730 1540 K HA -0.263 4.057 4.320 -0.000 0.000 0.276 1540 K C 0.216 176.869 176.600 0.088 0.000 0.904 1540 K CA 0.934 57.245 56.287 0.039 0.000 0.741 1540 K CB -0.933 31.582 32.500 0.026 0.000 1.542 1540 K HN 0.791 nan 8.250 nan 0.000 0.446 1541 D N 0.570 121.027 120.400 0.094 0.000 2.216 1541 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 1541 D C 1.673 178.035 176.300 0.103 0.000 0.960 1541 D CA 0.848 54.910 54.000 0.103 0.000 0.861 1541 D CB 0.308 41.164 40.800 0.092 0.000 0.985 1541 D HN 0.360 nan 8.370 nan 0.000 0.493 1542 K N 0.263 120.716 120.400 0.088 0.000 2.057 1542 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 1542 K C 1.874 178.554 176.600 0.133 0.000 1.050 1542 K CA 0.912 57.245 56.287 0.077 0.000 0.935 1542 K CB 0.095 32.608 32.500 0.021 0.000 0.715 1542 K HN 0.033 nan 8.250 nan 0.000 0.439 1543 E N 0.526 120.844 120.200 0.195 0.000 2.106 1543 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 1543 E C 1.944 178.832 176.600 0.480 0.000 0.984 1543 E CA 0.759 57.399 56.400 0.401 0.000 0.806 1543 E CB -0.163 29.834 29.700 0.495 0.000 0.750 1543 E HN -0.023 nan 8.360 nan 0.000 0.458 1544 V N 1.038 121.132 119.914 0.301 0.000 2.343 1544 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 1544 V C 2.183 178.396 176.094 0.197 0.000 1.051 1544 V CA 1.811 64.259 62.300 0.247 0.000 1.036 1544 V CB -0.835 31.085 31.823 0.162 0.000 0.654 1544 V HN 0.360 nan 8.190 nan 0.000 0.451 1545 A N -0.210 122.702 122.820 0.153 0.000 1.845 1545 A HA -0.252 4.068 4.320 -0.000 0.000 0.215 1545 A C 2.129 179.750 177.584 0.061 0.000 1.195 1545 A CA 2.105 54.201 52.037 0.098 0.000 0.616 1545 A CB -0.819 18.232 19.000 0.085 0.000 0.832 1545 A HN 0.523 nan 8.150 nan 0.000 0.443 1546 F N -0.901 118.991 119.950 -0.098 0.000 2.161 1546 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 1546 F C 1.889 177.456 175.800 -0.388 0.000 1.089 1546 F CA 1.647 59.483 58.000 -0.274 0.000 1.282 1546 F CB -0.360 38.391 39.000 -0.414 0.000 1.010 1546 F HN 0.410 nan 8.300 nan 0.000 0.485 1547 W N 0.021 121.216 121.300 -0.175 0.000 2.480 1547 W HA -0.056 4.604 4.660 0.000 0.000 0.299 1547 W C 2.564 178.850 176.519 -0.389 0.000 1.187 1547 W CA 1.389 58.451 57.345 -0.472 0.000 1.347 1547 W CB -1.066 28.233 29.460 -0.269 0.000 1.121 1547 W HN -0.279 nan 8.180 nan 0.000 0.533 1548 T N 0.426 115.030 114.554 0.082 0.000 2.822 1548 T HA -0.276 4.074 4.350 -0.000 0.000 0.270 1548 T C 1.322 176.035 174.700 0.022 0.000 1.064 1548 T CA 1.894 64.051 62.100 0.096 0.000 1.131 1548 T CB -0.421 68.503 68.868 0.093 0.000 0.858 1548 T HN 0.154 nan 8.240 nan 0.000 0.483 1549 N N 0.627 119.261 118.700 -0.109 0.000 2.258 1549 N HA 0.034 4.774 4.740 -0.000 0.000 0.183 1549 N C 1.544 176.924 175.510 -0.217 0.000 1.029 1549 N CA 0.342 53.305 53.050 -0.144 0.000 0.857 1549 N CB -0.478 37.907 38.487 -0.172 0.000 1.008 1549 N HN 0.174 nan 8.380 nan 0.000 0.433 1550 L N -0.245 120.677 121.223 -0.501 0.000 2.549 1550 L HA 0.128 4.468 4.340 -0.000 0.000 0.230 1550 L C 0.802 177.612 176.870 -0.101 0.000 1.162 1550 L CA 1.433 55.976 54.840 -0.496 0.000 0.834 1550 L CB -0.596 40.854 42.059 -1.015 0.000 0.947 1550 L HN 0.291 nan 8.230 nan 0.000 0.452 1551 F N -1.685 118.246 119.950 -0.031 0.000 2.694 1551 F HA 0.284 4.811 4.527 -0.000 0.000 0.292 1551 F C 1.889 177.694 175.800 0.009 0.000 1.121 1551 F CA 0.044 58.060 58.000 0.026 0.000 1.352 1551 F CB 0.039 39.075 39.000 0.059 0.000 1.107 1551 F HN 0.084 nan 8.300 nan 0.000 0.597 1552 A N 1.076 123.998 122.820 0.171 0.000 2.543 1552 A HA 0.215 4.535 4.320 -0.000 0.000 0.258 1552 A C 0.254 177.875 177.584 0.063 0.000 1.391 1552 A CA 0.207 52.302 52.037 0.096 0.000 1.066 1552 A CB -0.681 18.357 19.000 0.063 0.000 0.972 1552 A HN 0.180 nan 8.150 nan 0.000 0.560 1553 K N 0.000 120.448 120.400 0.080 0.000 2.780 1553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1553 K CA 0.000 56.320 56.287 0.055 0.000 0.838 1553 K CB 0.000 32.523 32.500 0.039 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543