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 2dqz_1_A DATA FIRST_RESID 1021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1021 S HA 0.000 nan 4.470 nan 0.000 0.327 1021 S C 0.000 174.663 174.600 0.105 0.000 1.055 1021 S CA 0.000 58.234 58.200 0.057 0.000 1.107 1021 S CB 0.000 63.225 63.200 0.042 0.000 0.593 1022 S N 1.717 117.530 115.700 0.188 0.000 2.556 1022 S HA 0.660 5.131 4.470 0.001 0.000 0.280 1022 S C -3.188 171.524 174.600 0.187 0.000 1.141 1022 S CA -0.683 57.610 58.200 0.155 0.000 0.883 1022 S CB 1.168 64.431 63.200 0.106 0.000 1.103 1022 S HN 0.169 nan 8.310 nan 0.000 0.453 1023 P HA 0.146 nan 4.420 nan 0.000 0.263 1023 P C -2.657 174.560 177.300 -0.138 0.000 1.168 1023 P CA -0.408 62.644 63.100 -0.079 0.000 0.759 1023 P CB -0.289 31.372 31.700 -0.064 0.000 0.782 1024 P HA 0.060 nan 4.420 nan 0.000 0.271 1024 P C -0.856 176.450 177.300 0.009 0.000 1.233 1024 P CA 0.358 63.302 63.100 -0.261 0.000 0.764 1024 P CB 0.440 31.801 31.700 -0.566 0.000 0.825 1025 V N 5.435 125.392 119.914 0.072 0.000 2.448 1025 V HA 0.379 4.500 4.120 0.001 0.000 0.295 1025 V C 0.083 176.209 176.094 0.053 0.000 1.025 1025 V CA -0.578 61.784 62.300 0.103 0.000 0.859 1025 V CB 2.173 34.041 31.823 0.076 0.000 0.988 1025 V HN 0.204 nan 8.190 nan 0.000 0.431 1026 V N 3.521 123.443 119.914 0.013 0.000 2.680 1026 V HA 0.469 4.590 4.120 0.001 0.000 0.309 1026 V C -0.412 175.614 176.094 -0.114 0.000 1.052 1026 V CA -0.682 61.504 62.300 -0.190 0.000 0.908 1026 V CB 2.180 33.610 31.823 -0.655 0.000 1.001 1026 V HN 0.913 nan 8.190 nan 0.000 0.431 1027 D N 2.621 122.944 120.400 -0.128 0.000 2.198 1027 D HA 0.507 5.148 4.640 0.001 0.000 0.245 1027 D C -0.307 175.935 176.300 -0.097 0.000 1.079 1027 D CA 0.061 54.022 54.000 -0.065 0.000 0.854 1027 D CB 2.108 42.872 40.800 -0.060 0.000 1.148 1027 D HN 0.791 nan 8.370 nan 0.000 0.456 1028 T N -0.715 113.818 114.554 -0.036 0.000 2.888 1028 T HA 0.238 4.589 4.350 0.001 0.000 0.288 1028 T C 1.499 176.116 174.700 -0.139 0.000 1.063 1028 T CA -0.692 61.369 62.100 -0.065 0.000 1.010 1028 T CB 1.062 69.996 68.868 0.110 0.000 1.214 1028 T HN 0.079 nan 8.240 nan 0.000 0.533 1029 V N 0.859 120.642 119.914 -0.219 0.000 2.380 1029 V HA -0.196 3.924 4.120 0.001 0.000 0.251 1029 V C 2.337 178.342 176.094 -0.149 0.000 1.063 1029 V CA 2.191 64.364 62.300 -0.212 0.000 1.055 1029 V CB -1.302 30.343 31.823 -0.298 0.000 0.657 1029 V HN 0.974 nan 8.190 nan 0.000 0.455 1030 H N -0.737 118.156 119.070 -0.294 0.000 2.551 1030 H HA 0.431 4.988 4.556 0.001 0.000 0.266 1030 H C 1.080 175.655 175.328 -1.255 0.000 0.964 1030 H CA 0.132 55.790 56.048 -0.649 0.000 1.180 1030 H CB 0.487 29.877 29.762 -0.619 0.000 1.408 1030 H HN 0.568 nan 8.280 nan 0.000 0.563 1031 G N 0.359 108.730 108.800 -0.716 0.000 2.369 1031 G HA2 -0.032 3.929 3.960 0.001 0.000 0.307 1031 G HA3 -0.032 3.929 3.960 0.001 0.000 0.307 1031 G C -1.579 173.376 174.900 0.091 0.000 1.327 1031 G CA -1.154 43.553 45.100 -0.654 0.000 0.963 1031 G HN 0.015 nan 8.290 nan 0.000 0.590 1032 K N -0.583 120.002 120.400 0.307 0.000 2.270 1032 K HA 0.567 4.887 4.320 0.001 0.000 0.276 1032 K C -0.349 176.569 176.600 0.530 0.000 1.023 1032 K CA -0.382 56.117 56.287 0.354 0.000 0.955 1032 K CB 1.757 34.399 32.500 0.236 0.000 0.975 1032 K HN 0.319 nan 8.250 nan 0.000 0.471 1033 V N 4.027 124.153 119.914 0.353 0.000 2.604 1033 V HA 0.296 4.416 4.120 0.001 0.000 0.305 1033 V C -0.880 175.396 176.094 0.302 0.000 1.043 1033 V CA -0.991 61.511 62.300 0.337 0.000 0.888 1033 V CB 1.899 33.961 31.823 0.398 0.000 0.995 1033 V HN 0.553 nan 8.190 nan 0.000 0.429 1034 L N 4.450 125.824 121.223 0.251 0.000 2.325 1034 L HA 0.858 5.199 4.340 0.001 0.000 0.281 1034 L C 0.226 177.149 176.870 0.089 0.000 1.004 1034 L CA 0.382 55.321 54.840 0.166 0.000 0.823 1034 L CB 1.015 43.116 42.059 0.070 0.000 1.236 1034 L HN 0.769 nan 8.230 nan 0.000 0.415 1035 G N 4.962 113.686 108.800 -0.127 0.000 3.119 1035 G HA2 0.632 4.592 3.960 0.001 0.000 0.206 1035 G HA3 0.632 4.592 3.960 0.001 0.000 0.206 1035 G C -1.204 173.368 174.900 -0.548 0.000 1.313 1035 G CA -0.491 44.234 45.100 -0.626 0.000 1.010 1035 G HN 0.709 nan 8.290 nan 0.000 0.578 1036 K N -1.223 118.786 120.400 -0.651 0.000 2.532 1036 K HA 0.557 4.877 4.320 0.001 0.000 0.265 1036 K C -1.758 174.591 176.600 -0.419 0.000 0.948 1036 K CA -0.831 55.193 56.287 -0.439 0.000 0.842 1036 K CB 1.788 34.143 32.500 -0.242 0.000 1.392 1036 K HN 0.301 nan 8.250 nan 0.000 0.436 1037 F N 0.959 120.842 119.950 -0.113 0.000 2.375 1037 F HA 0.489 5.017 4.527 0.001 0.000 0.333 1037 F C -0.177 175.605 175.800 -0.029 0.000 1.104 1037 F CA -0.709 57.255 58.000 -0.059 0.000 1.149 1037 F CB 2.001 40.987 39.000 -0.024 0.000 1.190 1037 F HN 0.087 nan 8.300 nan 0.000 0.533 1038 V N 2.356 122.416 119.914 0.243 0.000 2.653 1038 V HA 0.187 4.307 4.120 0.001 0.000 0.298 1038 V C -0.820 175.359 176.094 0.141 0.000 1.097 1038 V CA -0.815 61.575 62.300 0.151 0.000 0.908 1038 V CB 1.857 33.753 31.823 0.122 0.000 1.024 1038 V HN 0.765 nan 8.190 nan 0.000 0.435 1039 S N 4.959 120.725 115.700 0.110 0.000 2.562 1039 S HA 0.715 5.185 4.470 0.001 0.000 0.275 1039 S C -0.492 174.179 174.600 0.119 0.000 1.281 1039 S CA -0.380 57.881 58.200 0.100 0.000 1.045 1039 S CB 1.551 64.795 63.200 0.072 0.000 0.962 1039 S HN 0.561 nan 8.310 nan 0.000 0.503 1040 L N 2.774 124.088 121.223 0.151 0.000 2.313 1040 L HA 0.505 4.845 4.340 0.001 0.000 0.283 1040 L C -0.202 176.838 176.870 0.282 0.000 1.013 1040 L CA -0.638 54.321 54.840 0.199 0.000 0.816 1040 L CB 1.373 43.530 42.059 0.164 0.000 1.236 1040 L HN 0.603 nan 8.230 nan 0.000 0.419 1041 E N 3.859 124.190 120.200 0.219 0.000 2.694 1041 E HA 0.340 4.690 4.350 0.001 0.000 0.250 1041 E C 0.985 177.673 176.600 0.147 0.000 0.963 1041 E CA 1.500 57.998 56.400 0.163 0.000 0.949 1041 E CB 0.059 29.843 29.700 0.140 0.000 0.911 1041 E HN 0.845 nan 8.360 nan 0.000 0.500 1042 G N 3.343 112.130 108.800 -0.021 0.000 2.201 1042 G HA2 -0.211 3.749 3.960 0.001 0.000 0.212 1042 G HA3 -0.211 3.749 3.960 0.001 0.000 0.212 1042 G C -0.175 174.294 174.900 -0.719 0.000 0.994 1042 G CA -0.114 44.770 45.100 -0.361 0.000 0.644 1042 G HN 0.372 nan 8.290 nan 0.000 0.508 1043 F N 0.419 120.337 119.950 -0.054 0.000 2.539 1043 F HA 0.735 5.262 4.527 0.001 0.000 0.328 1043 F C 1.194 176.975 175.800 -0.032 0.000 1.148 1043 F CA -0.222 57.746 58.000 -0.054 0.000 0.940 1043 F CB 1.610 40.574 39.000 -0.060 0.000 1.194 1043 F HN 0.113 nan 8.300 nan 0.000 0.438 1044 A N 1.749 124.623 122.820 0.089 0.000 1.877 1044 A HA -0.178 4.143 4.320 0.001 0.000 0.216 1044 A C 1.307 178.916 177.584 0.040 0.000 1.186 1044 A CA 1.203 53.265 52.037 0.042 0.000 0.620 1044 A CB -0.497 18.509 19.000 0.009 0.000 0.822 1044 A HN 0.672 nan 8.150 nan 0.000 0.443 1045 Q N 1.526 121.365 119.800 0.066 0.000 2.286 1045 Q HA 0.247 4.587 4.340 0.001 0.000 0.265 1045 Q C -2.391 173.635 176.000 0.042 0.000 1.080 1045 Q CA -2.374 53.449 55.803 0.033 0.000 0.906 1045 Q CB 0.330 29.103 28.738 0.058 0.000 1.227 1045 Q HN 0.383 nan 8.270 nan 0.000 0.409 1046 P HA -0.006 nan 4.420 nan 0.000 0.271 1046 P C -0.802 176.590 177.300 0.153 0.000 1.218 1046 P CA -0.196 62.917 63.100 0.023 0.000 0.780 1046 P CB 0.844 32.469 31.700 -0.124 0.000 0.901 1047 V N 2.312 122.341 119.914 0.192 0.000 2.530 1047 V HA 0.328 4.448 4.120 0.001 0.000 0.282 1047 V C 0.898 177.170 176.094 0.296 0.000 1.048 1047 V CA -0.397 62.039 62.300 0.227 0.000 0.997 1047 V CB 0.690 32.612 31.823 0.166 0.000 0.987 1047 V HN 0.732 nan 8.190 nan 0.000 0.477 1048 A N 7.010 129.994 122.820 0.274 0.000 2.269 1048 A HA 0.710 5.030 4.320 0.001 0.000 0.302 1048 A C -0.380 177.164 177.584 -0.066 0.000 1.266 1048 A CA -0.315 51.738 52.037 0.027 0.000 0.894 1048 A CB -0.100 18.976 19.000 0.128 0.000 1.147 1048 A HN 0.769 nan 8.150 nan 0.000 0.537 1049 I N 2.185 122.534 120.570 -0.368 0.000 2.412 1049 I HA 0.442 4.613 4.170 0.001 0.000 0.296 1049 I C -1.185 174.496 176.117 -0.727 0.000 0.987 1049 I CA -0.332 60.727 61.300 -0.401 0.000 1.180 1049 I CB 1.584 39.424 38.000 -0.266 0.000 1.340 1049 I HN 0.545 nan 8.210 nan 0.000 0.455 1050 F N 6.396 126.202 119.950 -0.240 0.000 2.499 1050 F HA 0.527 5.055 4.527 0.001 0.000 0.333 1050 F C -0.414 175.242 175.800 -0.240 0.000 1.138 1050 F CA -0.522 57.388 58.000 -0.150 0.000 0.945 1050 F CB 1.253 40.272 39.000 0.033 0.000 1.181 1050 F HN 0.094 nan 8.300 nan 0.000 0.435 1051 L N 2.450 123.593 121.223 -0.132 0.000 2.317 1051 L HA 0.730 5.071 4.340 0.001 0.000 0.281 1051 L C 0.764 177.561 176.870 -0.121 0.000 1.024 1051 L CA -0.971 53.755 54.840 -0.189 0.000 0.810 1051 L CB 1.742 43.558 42.059 -0.405 0.000 1.240 1051 L HN 0.881 nan 8.230 nan 0.000 0.427 1052 G N 3.292 112.044 108.800 -0.079 0.000 2.256 1052 G HA2 -0.240 3.721 3.960 0.001 0.000 0.272 1052 G HA3 -0.240 3.721 3.960 0.001 0.000 0.272 1052 G C -0.237 174.700 174.900 0.063 0.000 1.076 1052 G CA -0.380 44.648 45.100 -0.121 0.000 0.882 1052 G HN 0.472 nan 8.290 nan 0.000 0.497 1053 I N 2.096 122.728 120.570 0.102 0.000 2.352 1053 I HA 0.265 4.436 4.170 0.001 0.000 0.290 1053 I C -1.477 174.687 176.117 0.079 0.000 1.036 1053 I CA -2.304 59.032 61.300 0.059 0.000 1.336 1053 I CB 1.421 39.373 38.000 -0.079 0.000 1.407 1053 I HN -0.002 nan 8.210 nan 0.000 0.497 1054 P HA 0.050 nan 4.420 nan 0.000 0.282 1054 P C -0.218 176.967 177.300 -0.191 0.000 1.262 1054 P CA -0.073 62.858 63.100 -0.282 0.000 0.773 1054 P CB 0.598 32.164 31.700 -0.224 0.000 0.879 1055 F N 1.626 121.376 119.950 -0.333 0.000 2.682 1055 F HA 0.722 5.249 4.527 0.001 0.000 0.308 1055 F C 0.038 175.846 175.800 0.014 0.000 1.093 1055 F CA -0.827 57.014 58.000 -0.265 0.000 1.244 1055 F CB 0.183 38.942 39.000 -0.402 0.000 1.052 1055 F HN 0.365 nan 8.300 nan 0.000 0.573 1056 A N 0.705 123.207 122.820 -0.530 0.000 2.602 1056 A HA 0.530 4.850 4.320 0.001 0.000 0.290 1056 A C -1.294 176.104 177.584 -0.311 0.000 1.114 1056 A CA -1.127 50.701 52.037 -0.348 0.000 0.683 1056 A CB 0.928 19.619 19.000 -0.516 0.000 1.281 1056 A HN 0.210 nan 8.150 nan 0.000 0.416 1057 K N 0.896 121.186 120.400 -0.183 0.000 2.276 1057 K HA 0.446 4.767 4.320 0.001 0.000 0.283 1057 K C -2.464 174.018 176.600 -0.197 0.000 1.044 1057 K CA -1.510 54.686 56.287 -0.151 0.000 0.944 1057 K CB 0.377 32.824 32.500 -0.088 0.000 1.012 1057 K HN 0.316 nan 8.250 nan 0.000 0.472 1058 P HA -0.059 nan 4.420 nan 0.000 0.258 1058 P C -2.397 174.811 177.300 -0.153 0.000 1.172 1058 P CA -0.711 62.280 63.100 -0.183 0.000 0.762 1058 P CB 0.122 31.749 31.700 -0.122 0.000 0.764 1059 P HA 0.034 nan 4.420 nan 0.000 0.232 1059 P C -0.511 176.700 177.300 -0.149 0.000 1.738 1059 P CA 0.493 63.500 63.100 -0.155 0.000 0.948 1059 P CB -0.038 31.570 31.700 -0.153 0.000 1.943 1060 L N -0.404 120.742 121.223 -0.127 0.000 2.376 1060 L HA 0.592 4.933 4.340 0.001 0.000 0.267 1060 L C 1.742 178.540 176.870 -0.119 0.000 1.035 1060 L CA -0.474 54.299 54.840 -0.112 0.000 0.800 1060 L CB 0.078 42.086 42.059 -0.084 0.000 1.290 1060 L HN 0.260 nan 8.230 nan 0.000 0.462 1061 G N 1.079 109.814 108.800 -0.108 0.000 2.661 1061 G HA2 -0.295 3.666 3.960 0.001 0.000 0.327 1061 G HA3 -0.295 3.666 3.960 0.001 0.000 0.327 1061 G C -1.289 173.535 174.900 -0.128 0.000 1.320 1061 G CA 0.416 45.453 45.100 -0.104 0.000 0.997 1061 G HN 0.646 nan 8.290 nan 0.000 0.543 1062 P HA 0.011 nan 4.420 nan 0.000 0.228 1062 P C 1.893 179.127 177.300 -0.110 0.000 1.151 1062 P CA 1.181 64.232 63.100 -0.080 0.000 0.770 1062 P CB -0.081 31.596 31.700 -0.039 0.000 0.786 1063 L N -1.155 119.987 121.223 -0.135 0.000 2.554 1063 L HA 0.070 4.410 4.340 0.001 0.000 0.226 1063 L C 1.784 178.500 176.870 -0.257 0.000 1.137 1063 L CA -0.065 54.679 54.840 -0.160 0.000 0.863 1063 L CB -0.340 41.639 42.059 -0.132 0.000 0.985 1063 L HN -0.062 nan 8.230 nan 0.000 0.451 1064 R N 0.519 120.820 120.500 -0.331 0.000 2.537 1064 R HA -0.013 4.328 4.340 0.001 0.000 0.280 1064 R C -0.298 175.608 176.300 -0.657 0.000 1.058 1064 R CA -0.164 55.581 56.100 -0.591 0.000 1.057 1064 R CB 0.251 30.077 30.300 -0.789 0.000 0.973 1064 R HN 0.048 nan 8.270 nan 0.000 0.438 1065 F N 0.187 119.777 119.950 -0.599 0.000 3.058 1065 F HA -0.255 4.273 4.527 0.001 0.000 0.295 1065 F C -0.081 174.798 175.800 -1.536 0.000 0.875 1065 F CA 1.316 58.630 58.000 -1.144 0.000 1.150 1065 F CB -2.631 36.114 39.000 -0.424 0.000 1.175 1065 F HN 0.657 nan 8.300 nan 0.000 0.599 1066 T N -3.673 110.228 114.554 -1.090 0.000 2.868 1066 T HA 0.756 5.106 4.350 0.001 0.000 0.306 1066 T C -2.957 171.571 174.700 -0.287 0.000 1.224 1066 T CA -2.401 59.305 62.100 -0.657 0.000 1.012 1066 T CB 3.198 71.907 68.868 -0.265 0.000 1.221 1066 T HN -0.248 nan 8.240 nan 0.000 0.499 1067 P HA 0.187 nan 4.420 nan 0.000 0.266 1067 P C -2.342 175.006 177.300 0.080 0.000 1.193 1067 P CA -0.664 62.542 63.100 0.178 0.000 0.770 1067 P CB -0.266 31.547 31.700 0.188 0.000 0.836 1068 P HA 0.071 nan 4.420 nan 0.000 0.271 1068 P C -0.727 176.610 177.300 0.062 0.000 1.216 1068 P CA 0.228 63.369 63.100 0.068 0.000 0.771 1068 P CB 0.748 32.528 31.700 0.134 0.000 0.864 1069 Q N 3.551 123.359 119.800 0.013 0.000 2.235 1069 Q HA 0.402 4.742 4.340 0.001 0.000 0.256 1069 Q C -2.208 173.813 176.000 0.034 0.000 0.951 1069 Q CA -2.141 53.676 55.803 0.025 0.000 0.890 1069 Q CB 0.822 29.558 28.738 -0.004 0.000 1.279 1069 Q HN 0.359 nan 8.270 nan 0.000 0.444 1070 P HA -0.085 nan 4.420 nan 0.000 0.266 1070 P C -1.267 176.052 177.300 0.033 0.000 1.193 1070 P CA 0.214 63.382 63.100 0.113 0.000 0.770 1070 P CB 0.459 32.231 31.700 0.119 0.000 0.836 1071 A N 2.754 125.615 122.820 0.068 0.000 2.407 1071 A HA 0.154 4.474 4.320 0.001 0.000 0.248 1071 A C 0.347 177.801 177.584 -0.217 0.000 1.082 1071 A CA -0.281 51.744 52.037 -0.020 0.000 0.785 1071 A CB -0.079 19.025 19.000 0.173 0.000 1.020 1071 A HN 0.437 nan 8.150 nan 0.000 0.489 1072 E N 2.692 122.843 120.200 -0.082 0.000 2.316 1072 E HA 0.243 4.593 4.350 0.001 0.000 0.275 1072 E C -2.175 174.391 176.600 -0.057 0.000 1.029 1072 E CA -1.624 54.724 56.400 -0.087 0.000 0.871 1072 E CB 0.382 30.086 29.700 0.005 0.000 1.022 1072 E HN 0.458 nan 8.360 nan 0.000 0.418 1073 P HA 0.088 nan 4.420 nan 0.000 0.275 1073 P C -0.696 176.550 177.300 -0.089 0.000 1.227 1073 P CA -0.310 62.577 63.100 -0.356 0.000 0.781 1073 P CB 0.263 31.762 31.700 -0.335 0.000 0.906 1074 W N 1.289 122.601 121.300 0.020 0.000 2.509 1074 W HA 0.563 5.224 4.660 0.001 0.000 0.351 1074 W C 0.825 177.323 176.519 -0.034 0.000 1.107 1074 W CA -0.657 56.699 57.345 0.018 0.000 1.264 1074 W CB -0.379 29.124 29.460 0.070 0.000 1.312 1074 W HN 0.158 nan 8.180 nan 0.000 0.608 1075 S N 0.421 116.180 115.700 0.099 0.000 2.362 1075 S HA 0.031 4.502 4.470 0.001 0.000 0.221 1075 S C 0.624 174.974 174.600 -0.416 0.000 1.032 1075 S CA 0.721 58.757 58.200 -0.273 0.000 0.973 1075 S CB -0.319 62.587 63.200 -0.490 0.000 0.849 1075 S HN 0.432 nan 8.310 nan 0.000 0.465 1076 F N 0.346 120.428 119.950 0.219 0.000 2.861 1076 F HA 0.460 4.988 4.527 0.001 0.000 0.222 1076 F C 0.216 176.180 175.800 0.274 0.000 1.320 1076 F CA -1.019 57.092 58.000 0.185 0.000 0.960 1076 F CB -0.399 38.675 39.000 0.122 0.000 2.058 1076 F HN -0.286 nan 8.300 nan 0.000 0.528 1077 V N 1.341 121.521 119.914 0.444 0.000 2.364 1077 V HA 0.219 4.340 4.120 0.001 0.000 0.272 1077 V C -0.209 176.016 176.094 0.218 0.000 1.036 1077 V CA -0.955 61.533 62.300 0.313 0.000 0.880 1077 V CB 0.804 32.749 31.823 0.204 0.000 0.991 1077 V HN 0.392 nan 8.190 nan 0.000 0.460 1078 K N 4.843 125.335 120.400 0.152 0.000 2.234 1078 K HA 0.266 4.587 4.320 0.001 0.000 0.282 1078 K C -0.199 176.377 176.600 -0.039 0.000 1.039 1078 K CA -0.501 55.712 56.287 -0.123 0.000 0.928 1078 K CB 0.511 32.614 32.500 -0.663 0.000 1.039 1078 K HN 0.633 nan 8.250 nan 0.000 0.470 1079 N N 2.968 121.631 118.700 -0.061 0.000 2.420 1079 N HA 0.140 4.881 4.740 0.001 0.000 0.249 1079 N C -0.889 174.581 175.510 -0.067 0.000 1.033 1079 N CA -0.161 52.865 53.050 -0.041 0.000 0.944 1079 N CB 1.714 40.172 38.487 -0.049 0.000 1.113 1079 N HN 0.587 nan 8.380 nan 0.000 0.502 1080 A N 1.595 124.403 122.820 -0.020 0.000 3.249 1080 A HA 0.254 4.575 4.320 0.001 0.000 0.297 1080 A C 0.853 178.376 177.584 -0.101 0.000 1.302 1080 A CA -0.535 51.483 52.037 -0.032 0.000 1.074 1080 A CB -0.576 18.488 19.000 0.107 0.000 1.132 1080 A HN 0.559 nan 8.150 nan 0.000 0.575 1081 T N -3.165 111.304 114.554 -0.141 0.000 3.132 1081 T HA 0.380 4.731 4.350 0.001 0.000 0.274 1081 T C 0.342 174.915 174.700 -0.212 0.000 1.011 1081 T CA 0.182 62.169 62.100 -0.187 0.000 0.899 1081 T CB 0.055 68.835 68.868 -0.147 0.000 1.089 1081 T HN 0.349 nan 8.240 nan 0.000 0.543 1082 S N 0.308 115.880 115.700 -0.213 0.000 2.536 1082 S HA 0.615 5.086 4.470 0.001 0.000 0.287 1082 S C -1.317 173.155 174.600 -0.212 0.000 1.101 1082 S CA -0.695 57.388 58.200 -0.194 0.000 0.950 1082 S CB 0.685 63.807 63.200 -0.130 0.000 1.056 1082 S HN 0.285 nan 8.310 nan 0.000 0.481 1083 Y N 4.607 124.842 120.300 -0.108 0.000 2.620 1083 Y HA 0.220 4.771 4.550 0.001 0.000 0.330 1083 Y C -1.277 174.517 175.900 -0.175 0.000 1.186 1083 Y CA -0.996 57.037 58.100 -0.111 0.000 1.467 1083 Y CB 0.235 38.650 38.460 -0.074 0.000 1.262 1083 Y HN 0.506 nan 8.280 nan 0.000 0.550 1084 P HA 0.195 nan 4.420 nan 0.000 0.274 1084 P C -2.694 174.531 177.300 -0.126 0.000 1.246 1084 P CA -1.491 61.444 63.100 -0.275 0.000 0.795 1084 P CB 0.771 32.255 31.700 -0.359 0.000 1.006 1085 P HA 0.286 nan 4.420 nan 0.000 0.276 1085 P C -0.238 177.034 177.300 -0.047 0.000 1.252 1085 P CA -0.239 62.809 63.100 -0.086 0.000 0.802 1085 P CB 0.309 31.957 31.700 -0.085 0.000 1.035 1086 M N -0.515 119.040 119.600 -0.075 0.000 2.537 1086 M HA 0.517 4.998 4.480 0.001 0.000 0.324 1086 M C -0.874 175.351 176.300 -0.125 0.000 1.187 1086 M CA -0.667 54.584 55.300 -0.082 0.000 0.993 1086 M CB 0.859 33.391 32.600 -0.113 0.000 1.666 1086 M HN 0.109 nan 8.290 nan 0.000 0.461 1087 c N 1.907 120.423 118.600 -0.140 0.000 2.634 1087 c HA 0.137 4.707 4.570 0.001 0.000 0.417 1087 c C 0.875 174.774 174.090 -0.317 0.000 1.334 1087 c CA -0.239 55.947 56.329 -0.237 0.000 1.829 1087 c CB -0.529 41.858 42.510 -0.205 0.000 2.665 1087 c HN 0.879 nan 8.230 nan 0.000 0.614 1088 T N 4.527 118.745 114.554 -0.560 0.000 2.849 1088 T HA 0.241 4.591 4.350 0.001 0.000 0.289 1088 T C 0.078 174.559 174.700 -0.364 0.000 1.010 1088 T CA 0.504 62.230 62.100 -0.623 0.000 1.161 1088 T CB -0.204 67.881 68.868 -1.305 0.000 0.989 1088 T HN 0.902 nan 8.240 nan 0.000 0.523 1089 Q N 0.983 120.704 119.800 -0.131 0.000 2.832 1089 Q HA 0.332 4.673 4.340 0.001 0.000 0.322 1089 Q C -1.620 174.409 176.000 0.048 0.000 0.842 1089 Q CA -1.133 54.685 55.803 0.026 0.000 0.780 1089 Q CB 0.801 29.538 28.738 -0.002 0.000 1.411 1089 Q HN 0.349 nan 8.270 nan 0.000 0.490 1090 D N 2.299 122.745 120.400 0.076 0.000 2.346 1090 D HA 0.088 4.728 4.640 0.001 0.000 0.267 1090 D C -1.294 175.014 176.300 0.015 0.000 1.320 1090 D CA -1.696 52.340 54.000 0.060 0.000 0.951 1090 D CB 1.027 41.869 40.800 0.070 0.000 1.079 1090 D HN 0.276 nan 8.370 nan 0.000 0.509 1091 P HA -0.221 nan 4.420 nan 0.000 0.216 1091 P C 1.013 178.298 177.300 -0.024 0.000 1.154 1091 P CA 1.388 64.475 63.100 -0.021 0.000 0.865 1091 P CB 0.473 32.161 31.700 -0.019 0.000 0.789 1092 K N -0.025 120.368 120.400 -0.012 0.000 1.984 1092 K HA -0.034 4.286 4.320 0.001 0.000 0.209 1092 K C 2.505 179.090 176.600 -0.024 0.000 1.046 1092 K CA 1.473 57.751 56.287 -0.016 0.000 0.934 1092 K CB -0.787 31.709 32.500 -0.007 0.000 0.717 1092 K HN 0.008 nan 8.250 nan 0.000 0.438 1093 A N 1.351 124.162 122.820 -0.015 0.000 1.940 1093 A HA -0.127 4.194 4.320 0.001 0.000 0.219 1093 A C 2.407 179.962 177.584 -0.048 0.000 1.176 1093 A CA 2.067 54.088 52.037 -0.026 0.000 0.631 1093 A CB -1.334 17.665 19.000 -0.001 0.000 0.814 1093 A HN 0.460 nan 8.150 nan 0.000 0.446 1094 G N -0.978 107.795 108.800 -0.044 0.000 2.433 1094 G HA2 -0.296 3.665 3.960 0.001 0.000 0.216 1094 G HA3 -0.296 3.665 3.960 0.001 0.000 0.216 1094 G C 1.632 176.479 174.900 -0.089 0.000 1.186 1094 G CA 1.105 46.164 45.100 -0.069 0.000 0.779 1094 G HN 0.628 nan 8.290 nan 0.000 0.543 1095 Q N -0.528 119.227 119.800 -0.076 0.000 2.224 1095 Q HA -0.024 4.316 4.340 0.001 0.000 0.203 1095 Q C 2.388 178.343 176.000 -0.074 0.000 0.970 1095 Q CA 0.967 56.722 55.803 -0.079 0.000 0.865 1095 Q CB -0.168 28.533 28.738 -0.062 0.000 0.922 1095 Q HN 0.429 nan 8.270 nan 0.000 0.445 1096 L N 0.206 121.388 121.223 -0.068 0.000 2.005 1096 L HA -0.130 4.211 4.340 0.001 0.000 0.207 1096 L C 2.099 178.911 176.870 -0.097 0.000 1.072 1096 L CA 1.416 56.219 54.840 -0.063 0.000 0.744 1096 L CB -0.647 41.377 42.059 -0.058 0.000 0.895 1096 L HN 0.364 nan 8.230 nan 0.000 0.433 1097 L N -1.012 120.120 121.223 -0.152 0.000 2.131 1097 L HA -0.168 4.173 4.340 0.001 0.000 0.210 1097 L C 2.651 179.379 176.870 -0.237 0.000 1.092 1097 L CA 2.039 56.713 54.840 -0.277 0.000 0.759 1097 L CB -0.806 41.074 42.059 -0.298 0.000 0.903 1097 L HN 0.478 nan 8.230 nan 0.000 0.435 1098 S N -0.868 114.738 115.700 -0.156 0.000 2.383 1098 S HA -0.173 4.297 4.470 0.001 0.000 0.227 1098 S C 1.805 176.346 174.600 -0.098 0.000 1.026 1098 S CA 1.389 59.501 58.200 -0.147 0.000 0.981 1098 S CB -0.262 62.842 63.200 -0.161 0.000 0.818 1098 S HN 0.669 nan 8.310 nan 0.000 0.472 1099 E N 0.410 120.575 120.200 -0.058 0.000 2.208 1099 E HA 0.019 4.370 4.350 0.001 0.000 0.193 1099 E C 1.844 178.494 176.600 0.084 0.000 0.988 1099 E CA 0.793 57.191 56.400 -0.004 0.000 0.828 1099 E CB -0.125 29.576 29.700 0.002 0.000 0.763 1099 E HN 0.492 nan 8.360 nan 0.000 0.478 1100 L N -0.407 120.874 121.223 0.098 0.000 2.418 1100 L HA 0.002 4.342 4.340 0.001 0.000 0.218 1100 L C 1.488 178.692 176.870 0.558 0.000 1.125 1100 L CA 0.346 55.345 54.840 0.265 0.000 0.835 1100 L CB 0.134 42.292 42.059 0.165 0.000 0.953 1100 L HN 0.099 nan 8.230 nan 0.000 0.454 1101 F N -1.173 118.788 119.950 0.018 0.000 2.712 1101 F HA 0.168 4.696 4.527 0.001 0.000 0.297 1101 F C 1.597 177.172 175.800 -0.375 0.000 1.114 1101 F CA -0.520 57.391 58.000 -0.148 0.000 1.305 1101 F CB -0.408 38.501 39.000 -0.153 0.000 1.086 1101 F HN -0.232 nan 8.300 nan 0.000 0.599 1102 T N 2.354 116.829 114.554 -0.131 0.000 2.933 1102 T HA -0.063 4.287 4.350 0.001 0.000 0.306 1102 T C 1.309 175.894 174.700 -0.192 0.000 1.045 1102 T CA 0.258 62.182 62.100 -0.294 0.000 1.143 1102 T CB 0.233 68.975 68.868 -0.211 0.000 1.003 1102 T HN 0.395 nan 8.240 nan 0.000 0.540 1103 N N 4.340 122.859 118.700 -0.303 0.000 2.236 1103 N HA -0.000 4.740 4.740 0.001 0.000 0.196 1103 N C 0.448 175.849 175.510 -0.182 0.000 1.114 1103 N CA -0.338 52.581 53.050 -0.219 0.000 0.859 1103 N CB 0.114 38.446 38.487 -0.258 0.000 0.982 1103 N HN 0.710 nan 8.380 nan 0.000 0.493 1104 R N 0.412 120.817 120.500 -0.160 0.000 2.528 1104 R HA 0.283 4.623 4.340 0.001 0.000 0.271 1104 R C 0.977 177.229 176.300 -0.079 0.000 1.056 1104 R CA -0.750 55.288 56.100 -0.105 0.000 1.117 1104 R CB 1.489 31.739 30.300 -0.083 0.000 1.085 1104 R HN -0.168 nan 8.270 nan 0.000 0.530 1105 K N 0.576 120.948 120.400 -0.048 0.000 2.032 1105 K HA -0.207 4.114 4.320 0.001 0.000 0.209 1105 K C -0.259 176.333 176.600 -0.014 0.000 1.048 1105 K CA 2.032 58.305 56.287 -0.023 0.000 0.927 1105 K CB 0.036 32.537 32.500 0.001 0.000 0.712 1105 K HN 0.793 nan 8.250 nan 0.000 0.441 1106 E N 0.611 120.800 120.200 -0.018 0.000 2.165 1106 E HA 0.174 4.525 4.350 0.001 0.000 0.266 1106 E C -1.132 175.439 176.600 -0.048 0.000 0.889 1106 E CA -0.961 55.426 56.400 -0.021 0.000 0.756 1106 E CB 1.321 31.016 29.700 -0.009 0.000 1.131 1106 E HN 0.067 nan 8.360 nan 0.000 0.411 1107 N N 3.565 122.231 118.700 -0.056 0.000 2.483 1107 N HA 0.050 4.791 4.740 0.001 0.000 0.264 1107 N C -0.576 174.866 175.510 -0.113 0.000 1.197 1107 N CA -0.213 52.781 53.050 -0.094 0.000 0.927 1107 N CB 0.451 38.891 38.487 -0.078 0.000 1.065 1107 N HN 0.511 nan 8.380 nan 0.000 0.461 1108 I N 5.342 125.803 120.570 -0.181 0.000 2.312 1108 I HA 0.253 4.424 4.170 0.001 0.000 0.291 1108 I C -1.903 174.089 176.117 -0.207 0.000 1.031 1108 I CA -2.134 59.034 61.300 -0.220 0.000 1.293 1108 I CB 0.612 38.352 38.000 -0.433 0.000 1.403 1108 I HN 0.502 nan 8.210 nan 0.000 0.484 1109 P HA 0.346 nan 4.420 nan 0.000 0.276 1109 P C -0.841 176.385 177.300 -0.124 0.000 1.235 1109 P CA -0.193 62.838 63.100 -0.114 0.000 0.772 1109 P CB 1.379 33.033 31.700 -0.076 0.000 0.871 1110 L N 2.501 123.651 121.223 -0.121 0.000 2.303 1110 L HA 0.542 4.882 4.340 0.001 0.000 0.266 1110 L C 0.796 177.614 176.870 -0.088 0.000 1.011 1110 L CA -1.184 53.588 54.840 -0.113 0.000 0.818 1110 L CB 1.621 43.601 42.059 -0.133 0.000 1.326 1110 L HN 0.245 nan 8.230 nan 0.000 0.435 1111 K N 0.939 121.291 120.400 -0.081 0.000 2.123 1111 K HA 0.651 4.971 4.320 0.001 0.000 0.248 1111 K C -1.100 175.446 176.600 -0.089 0.000 0.969 1111 K CA -0.667 55.575 56.287 -0.076 0.000 0.882 1111 K CB 1.732 34.191 32.500 -0.069 0.000 1.080 1111 K HN 0.336 nan 8.250 nan 0.000 0.441 1112 L N 0.842 122.009 121.223 -0.092 0.000 2.334 1112 L HA 0.510 4.850 4.340 0.001 0.000 0.275 1112 L C -0.061 176.730 176.870 -0.132 0.000 1.036 1112 L CA -0.432 54.334 54.840 -0.123 0.000 0.807 1112 L CB 1.731 43.718 42.059 -0.121 0.000 1.231 1112 L HN 0.667 nan 8.230 nan 0.000 0.438 1113 S N 0.130 115.722 115.700 -0.181 0.000 2.608 1113 S HA 0.120 4.591 4.470 0.001 0.000 0.285 1113 S C 0.010 174.460 174.600 -0.250 0.000 1.108 1113 S CA -0.646 57.449 58.200 -0.175 0.000 0.858 1113 S CB 1.165 64.304 63.200 -0.102 0.000 1.077 1113 S HN 0.762 nan 8.310 nan 0.000 0.450 1114 E N 1.183 121.221 120.200 -0.270 0.000 2.347 1114 E HA -0.058 4.293 4.350 0.001 0.000 0.196 1114 E C -0.202 176.282 176.600 -0.193 0.000 1.008 1114 E CA 0.481 56.684 56.400 -0.329 0.000 0.852 1114 E CB 0.012 29.569 29.700 -0.238 0.000 0.783 1114 E HN 0.527 nan 8.360 nan 0.000 0.505 1115 D N 0.703 121.035 120.400 -0.114 0.000 2.483 1115 D HA 0.012 4.653 4.640 0.001 0.000 0.220 1115 D C 0.155 176.496 176.300 0.069 0.000 1.173 1115 D CA -0.376 53.598 54.000 -0.043 0.000 0.964 1115 D CB 0.012 40.816 40.800 0.006 0.000 1.046 1115 D HN 0.177 nan 8.370 nan 0.000 0.517 1116 c N 2.130 120.724 118.600 -0.010 0.000 3.785 1116 c HA 0.384 4.955 4.570 0.001 0.000 0.312 1116 c C 0.894 175.011 174.090 0.045 0.000 1.566 1116 c CA -0.663 55.725 56.329 0.099 0.000 1.837 1116 c CB -1.326 41.170 42.510 -0.023 0.000 2.826 1116 c HN 0.429 nan 8.230 nan 0.000 0.667 1117 L N 2.510 123.549 121.223 -0.307 0.000 2.382 1117 L HA 0.306 4.647 4.340 0.001 0.000 0.259 1117 L C -0.742 175.620 176.870 -0.845 0.000 1.291 1117 L CA 0.633 55.134 54.840 -0.565 0.000 1.176 1117 L CB -0.898 40.625 42.059 -0.892 0.000 1.373 1117 L HN 0.409 nan 8.230 nan 0.000 0.426 1118 Y N 1.622 121.940 120.300 0.031 0.000 2.634 1118 Y HA 0.706 5.257 4.550 0.001 0.000 0.340 1118 Y C -0.114 175.922 175.900 0.227 0.000 1.058 1118 Y CA -1.279 56.871 58.100 0.083 0.000 1.081 1118 Y CB 1.893 40.349 38.460 -0.006 0.000 1.295 1118 Y HN 0.144 nan 8.280 nan 0.000 0.487 1119 L N -0.307 121.062 121.223 0.243 0.000 2.393 1119 L HA 0.761 5.101 4.340 0.001 0.000 0.260 1119 L C -1.474 175.413 176.870 0.029 0.000 1.002 1119 L CA -1.056 53.839 54.840 0.092 0.000 0.818 1119 L CB 1.877 43.872 42.059 -0.108 0.000 1.369 1119 L HN 0.408 nan 8.230 nan 0.000 0.412 1120 N N 1.727 120.462 118.700 0.058 0.000 2.319 1120 N HA 0.738 5.478 4.740 0.001 0.000 0.305 1120 N C -1.198 174.284 175.510 -0.048 0.000 1.103 1120 N CA -0.253 52.793 53.050 -0.007 0.000 0.815 1120 N CB 2.566 41.094 38.487 0.068 0.000 1.288 1120 N HN 0.682 nan 8.380 nan 0.000 0.493 1121 I N 1.492 121.961 120.570 -0.168 0.000 2.608 1121 I HA 0.352 4.523 4.170 0.001 0.000 0.295 1121 I C -1.189 174.809 176.117 -0.199 0.000 1.049 1121 I CA -0.773 60.471 61.300 -0.092 0.000 1.063 1121 I CB 1.498 39.381 38.000 -0.196 0.000 1.248 1121 I HN 0.338 nan 8.210 nan 0.000 0.424 1122 Y N 2.891 123.313 120.300 0.204 0.000 2.363 1122 Y HA 0.385 4.936 4.550 0.001 0.000 0.325 1122 Y C 0.193 176.218 175.900 0.208 0.000 0.984 1122 Y CA -0.688 57.530 58.100 0.197 0.000 1.248 1122 Y CB 2.099 40.649 38.460 0.149 0.000 1.116 1122 Y HN 0.380 nan 8.280 nan 0.000 0.470 1123 T N 4.787 119.553 114.554 0.354 0.000 2.812 1123 T HA 0.369 4.720 4.350 0.001 0.000 0.282 1123 T C -2.221 172.627 174.700 0.248 0.000 0.990 1123 T CA -2.416 59.866 62.100 0.304 0.000 0.960 1123 T CB 1.488 70.569 68.868 0.356 0.000 0.948 1123 T HN 0.366 nan 8.240 nan 0.000 0.438 1124 P HA 0.270 nan 4.420 nan 0.000 0.255 1124 P C 0.371 177.748 177.300 0.129 0.000 1.248 1124 P CA -0.134 63.036 63.100 0.118 0.000 0.807 1124 P CB 0.068 31.788 31.700 0.034 0.000 1.150 1125 A N 0.979 123.891 122.820 0.153 0.000 2.406 1125 A HA 0.152 4.472 4.320 0.001 0.000 0.243 1125 A C 0.125 177.802 177.584 0.155 0.000 1.082 1125 A CA -0.020 52.099 52.037 0.137 0.000 0.786 1125 A CB -0.315 18.765 19.000 0.134 0.000 1.029 1125 A HN -0.029 nan 8.150 nan 0.000 0.495 1126 D N 1.688 122.160 120.400 0.120 0.000 2.411 1126 D HA 0.268 4.908 4.640 0.001 0.000 0.225 1126 D C 0.825 177.198 176.300 0.122 0.000 1.156 1126 D CA -0.125 53.948 54.000 0.123 0.000 0.874 1126 D CB 0.089 40.936 40.800 0.079 0.000 1.034 1126 D HN 0.397 nan 8.370 nan 0.000 0.502 1127 L N 2.743 124.063 121.223 0.162 0.000 2.549 1127 L HA -0.099 4.241 4.340 0.001 0.000 0.230 1127 L C 2.157 179.079 176.870 0.086 0.000 1.162 1127 L CA 1.113 56.025 54.840 0.120 0.000 0.834 1127 L CB -0.652 41.492 42.059 0.141 0.000 0.947 1127 L HN 0.478 nan 8.230 nan 0.000 0.452 1128 T N -3.030 111.580 114.554 0.093 0.000 3.085 1128 T HA 0.010 4.360 4.350 0.001 0.000 0.263 1128 T C 0.739 175.466 174.700 0.044 0.000 1.127 1128 T CA 0.102 62.243 62.100 0.067 0.000 1.103 1128 T CB -0.040 68.868 68.868 0.067 0.000 0.921 1128 T HN 0.386 nan 8.240 nan 0.000 0.510 1129 K N 0.220 120.646 120.400 0.044 0.000 2.261 1129 K HA 0.522 4.842 4.320 0.001 0.000 0.242 1129 K C -1.021 175.595 176.600 0.027 0.000 1.083 1129 K CA -1.247 55.058 56.287 0.031 0.000 0.880 1129 K CB 1.551 34.070 32.500 0.031 0.000 1.353 1129 K HN -0.076 nan 8.250 nan 0.000 0.486 1130 K N 1.629 122.041 120.400 0.019 0.000 2.253 1130 K HA 0.184 4.504 4.320 0.001 0.000 0.277 1130 K C -1.083 175.530 176.600 0.021 0.000 1.053 1130 K CA -0.256 56.040 56.287 0.014 0.000 0.892 1130 K CB 0.510 33.013 32.500 0.005 0.000 1.102 1130 K HN 0.512 nan 8.250 nan 0.000 0.469 1131 N N 2.864 121.582 118.700 0.029 0.000 2.312 1131 N HA 0.424 5.165 4.740 0.001 0.000 0.296 1131 N C -1.162 174.368 175.510 0.034 0.000 1.193 1131 N CA -0.664 52.407 53.050 0.036 0.000 0.773 1131 N CB 1.644 40.163 38.487 0.054 0.000 1.435 1131 N HN 0.480 nan 8.380 nan 0.000 0.484 1132 R N 2.041 122.558 120.500 0.029 0.000 2.718 1132 R HA 0.371 4.712 4.340 0.001 0.000 0.266 1132 R C -0.754 175.559 176.300 0.022 0.000 1.776 1132 R CA -0.287 55.827 56.100 0.023 0.000 1.567 1132 R CB 0.255 30.558 30.300 0.004 0.000 1.336 1132 R HN 0.490 nan 8.270 nan 0.000 0.619 1133 L N 2.601 123.849 121.223 0.041 0.000 2.399 1133 L HA 0.531 4.872 4.340 0.001 0.000 0.265 1133 L C -1.707 175.186 176.870 0.038 0.000 1.089 1133 L CA -2.076 52.787 54.840 0.039 0.000 0.802 1133 L CB 0.874 42.968 42.059 0.058 0.000 1.180 1133 L HN 0.047 nan 8.230 nan 0.000 0.454 1134 P HA 0.023 nan 4.420 nan 0.000 0.267 1134 P C -0.920 176.415 177.300 0.057 0.000 1.200 1134 P CA -0.071 63.040 63.100 0.019 0.000 0.772 1134 P CB 0.882 32.579 31.700 -0.006 0.000 0.855 1135 V N 4.432 124.392 119.914 0.077 0.000 2.398 1135 V HA 0.364 4.484 4.120 0.001 0.000 0.286 1135 V C 0.591 176.773 176.094 0.148 0.000 1.026 1135 V CA -0.357 62.018 62.300 0.125 0.000 0.868 1135 V CB 1.129 33.037 31.823 0.142 0.000 0.982 1135 V HN 0.482 nan 8.190 nan 0.000 0.443 1136 M N 4.901 124.617 119.600 0.194 0.000 2.072 1136 M HA 0.481 4.961 4.480 0.001 0.000 0.331 1136 M C -1.079 175.555 176.300 0.556 0.000 1.004 1136 M CA -0.574 54.894 55.300 0.279 0.000 0.952 1136 M CB 1.902 34.546 32.600 0.074 0.000 1.511 1136 M HN 0.365 nan 8.290 nan 0.000 0.422 1137 V N 3.770 124.021 119.914 0.561 0.000 2.350 1137 V HA 0.297 4.417 4.120 0.001 0.000 0.276 1137 V C -0.582 175.721 176.094 0.348 0.000 1.028 1137 V CA -0.552 61.993 62.300 0.409 0.000 0.860 1137 V CB 1.190 33.140 31.823 0.211 0.000 0.990 1137 V HN 0.831 nan 8.190 nan 0.000 0.453 1138 W N 6.946 128.217 121.300 -0.048 0.000 2.417 1138 W HA 0.614 5.275 4.660 0.001 0.000 0.317 1138 W C -1.204 175.152 176.519 -0.272 0.000 1.121 1138 W CA -0.842 56.233 57.345 -0.450 0.000 1.208 1138 W CB 1.314 30.531 29.460 -0.405 0.000 1.253 1138 W HN 0.420 nan 8.180 nan 0.000 0.533 1139 I N 7.017 126.885 120.570 -1.169 0.000 2.405 1139 I HA 0.032 4.203 4.170 0.001 0.000 0.280 1139 I C 0.314 175.632 176.117 -1.332 0.000 1.027 1139 I CA -0.866 59.876 61.300 -0.931 0.000 1.161 1139 I CB 0.843 38.438 38.000 -0.674 0.000 1.300 1139 I HN 0.475 nan 8.210 nan 0.000 0.463 1140 H N 4.240 122.866 119.070 -0.740 0.000 2.822 1140 H HA 0.532 5.089 4.556 0.001 0.000 0.373 1140 H C 0.400 175.700 175.328 -0.047 0.000 1.223 1140 H CA -0.235 55.618 56.048 -0.326 0.000 1.436 1140 H CB 0.453 30.345 29.762 0.217 0.000 1.439 1140 H HN 0.551 nan 8.280 nan 0.000 0.618 1141 G N -1.945 107.090 108.800 0.392 0.000 2.795 1141 G HA2 0.511 4.471 3.960 0.001 0.000 0.267 1141 G HA3 0.511 4.471 3.960 0.001 0.000 0.267 1141 G C 0.167 175.337 174.900 0.449 0.000 1.362 1141 G CA -1.102 44.213 45.100 0.358 0.000 1.048 1141 G HN 1.487 nan 8.290 nan 0.000 0.547 1142 G N -2.475 106.510 108.800 0.309 0.000 2.325 1142 G HA2 0.414 4.374 3.960 0.001 0.000 0.214 1142 G HA3 0.414 4.374 3.960 0.001 0.000 0.214 1142 G C 1.008 175.996 174.900 0.147 0.000 1.087 1142 G CA 0.652 45.873 45.100 0.202 0.000 0.811 1142 G HN 2.289 nan 8.290 nan 0.000 0.486 1143 G N -0.096 108.785 108.800 0.135 0.000 2.309 1143 G HA2 -0.180 3.781 3.960 0.001 0.000 0.286 1143 G HA3 -0.180 3.781 3.960 0.001 0.000 0.286 1143 G C 1.176 176.067 174.900 -0.015 0.000 1.002 1143 G CA 0.838 45.971 45.100 0.055 0.000 0.786 1143 G HN 1.874 nan 8.290 nan 0.000 0.511 1144 L N -3.653 117.595 121.223 0.042 0.000 4.232 1144 L HA -0.265 4.076 4.340 0.001 0.000 0.415 1144 L C 1.830 178.743 176.870 0.073 0.000 1.168 1144 L CA 1.472 56.316 54.840 0.007 0.000 0.966 1144 L CB -1.360 40.408 42.059 -0.484 0.000 2.052 1144 L HN 0.443 nan 8.230 nan 0.000 0.887 1145 M N -1.662 117.989 119.600 0.085 0.000 2.447 1145 M HA 0.339 4.819 4.480 0.001 0.000 0.255 1145 M C 0.679 177.042 176.300 0.106 0.000 1.289 1145 M CA 1.092 56.449 55.300 0.095 0.000 1.128 1145 M CB 0.719 33.351 32.600 0.055 0.000 1.540 1145 M HN 0.196 nan 8.290 nan 0.000 0.557 1146 V N -2.516 117.449 119.914 0.086 0.000 3.165 1146 V HA 1.057 5.178 4.120 0.001 0.000 0.309 1146 V C -0.311 175.802 176.094 0.033 0.000 1.267 1146 V CA -0.241 62.081 62.300 0.036 0.000 1.067 1146 V CB 1.331 33.161 31.823 0.011 0.000 1.082 1146 V HN 0.530 nan 8.190 nan 0.000 0.451 1147 G N -0.827 107.919 108.800 -0.090 0.000 2.406 1147 G HA2 0.613 4.573 3.960 0.001 0.000 0.680 1147 G HA3 0.613 4.573 3.960 0.001 0.000 0.680 1147 G C -0.681 173.846 174.900 -0.621 0.000 1.338 1147 G CA -0.097 44.832 45.100 -0.285 0.000 0.941 1147 G HN 2.604 nan 8.290 nan 0.000 0.633 1148 A N -0.882 121.460 122.820 -0.797 0.000 2.602 1148 A HA 1.078 5.398 4.320 0.001 0.000 0.290 1148 A C 0.796 178.278 177.584 -0.171 0.000 1.114 1148 A CA 0.592 52.350 52.037 -0.465 0.000 0.683 1148 A CB 0.891 19.770 19.000 -0.203 0.000 1.281 1148 A HN 2.529 nan 8.150 nan 0.000 0.416 1149 A N -0.240 122.667 122.820 0.145 0.000 1.943 1149 A HA 0.228 4.549 4.320 0.001 0.000 0.213 1149 A C 1.962 179.740 177.584 0.323 0.000 1.181 1149 A CA 1.877 54.141 52.037 0.379 0.000 0.653 1149 A CB -0.802 18.419 19.000 0.369 0.000 0.833 1149 A HN 1.012 nan 8.150 nan 0.000 0.451 1150 S N 0.245 116.046 115.700 0.169 0.000 2.440 1150 S HA -0.147 4.324 4.470 0.001 0.000 0.240 1150 S C 1.863 176.409 174.600 -0.091 0.000 1.014 1150 S CA 1.734 59.980 58.200 0.076 0.000 0.980 1150 S CB -0.534 62.574 63.200 -0.154 0.000 0.775 1150 S HN 0.682 nan 8.310 nan 0.000 0.499 1151 T N 0.711 115.181 114.554 -0.141 0.000 2.803 1151 T HA -0.096 4.255 4.350 0.001 0.000 0.269 1151 T C -0.021 174.334 174.700 -0.576 0.000 1.052 1151 T CA 1.095 62.965 62.100 -0.383 0.000 1.136 1151 T CB -0.281 68.290 68.868 -0.495 0.000 0.864 1151 T HN 0.423 nan 8.240 nan 0.000 0.467 1152 Y N 1.732 121.885 120.300 -0.245 0.000 2.434 1152 Y HA 0.427 4.978 4.550 0.001 0.000 0.341 1152 Y C 0.041 175.704 175.900 -0.395 0.000 0.965 1152 Y CA -2.191 55.578 58.100 -0.551 0.000 1.205 1152 Y CB 0.331 38.176 38.460 -1.026 0.000 1.121 1152 Y HN -0.091 nan 8.280 nan 0.000 0.507 1153 D N 2.352 122.579 120.400 -0.288 0.000 2.325 1153 D HA 0.169 4.810 4.640 0.001 0.000 0.251 1153 D C 1.007 177.010 176.300 -0.496 0.000 1.196 1153 D CA -0.016 53.800 54.000 -0.307 0.000 0.866 1153 D CB 1.540 42.248 40.800 -0.153 0.000 1.101 1153 D HN 0.834 nan 8.370 nan 0.000 0.476 1154 G N 3.218 111.306 108.800 -1.187 0.000 3.042 1154 G HA2 -0.106 3.855 3.960 0.001 0.000 0.212 1154 G HA3 -0.106 3.855 3.960 0.001 0.000 0.212 1154 G C 1.372 175.987 174.900 -0.476 0.000 1.166 1154 G CA -0.083 44.579 45.100 -0.730 0.000 0.767 1154 G HN 0.509 nan 8.290 nan 0.000 0.546 1155 L N 1.525 122.476 121.223 -0.454 0.000 2.021 1155 L HA -0.105 4.235 4.340 0.001 0.000 0.215 1155 L C 2.877 179.703 176.870 -0.073 0.000 1.074 1155 L CA 2.580 57.370 54.840 -0.084 0.000 0.760 1155 L CB -0.540 41.527 42.059 0.012 0.000 0.889 1155 L HN 0.211 nan 8.230 nan 0.000 0.433 1156 A N -0.801 121.969 122.820 -0.084 0.000 1.832 1156 A HA -0.178 4.143 4.320 0.001 0.000 0.214 1156 A C 2.232 179.721 177.584 -0.159 0.000 1.200 1156 A CA 1.759 53.732 52.037 -0.106 0.000 0.610 1156 A CB -1.221 17.715 19.000 -0.107 0.000 0.842 1156 A HN 0.491 nan 8.150 nan 0.000 0.444 1157 L N -0.014 121.123 121.223 -0.145 0.000 2.043 1157 L HA -0.160 4.180 4.340 0.001 0.000 0.212 1157 L C 2.623 179.446 176.870 -0.079 0.000 1.075 1157 L CA 2.424 57.182 54.840 -0.136 0.000 0.752 1157 L CB -0.876 41.096 42.059 -0.146 0.000 0.891 1157 L HN 0.387 nan 8.230 nan 0.000 0.432 1158 A N -0.570 122.222 122.820 -0.046 0.000 1.858 1158 A HA -0.100 4.221 4.320 0.001 0.000 0.216 1158 A C 2.455 179.981 177.584 -0.097 0.000 1.190 1158 A CA 2.133 54.168 52.037 -0.003 0.000 0.617 1158 A CB -1.281 17.776 19.000 0.095 0.000 0.827 1158 A HN 0.601 nan 8.150 nan 0.000 0.443 1159 A N -1.259 121.421 122.820 -0.234 0.000 1.855 1159 A HA -0.163 4.158 4.320 0.001 0.000 0.215 1159 A C 2.104 179.222 177.584 -0.776 0.000 1.191 1159 A CA 1.526 53.198 52.037 -0.608 0.000 0.613 1159 A CB -1.018 17.417 19.000 -0.943 0.000 0.829 1159 A HN 0.701 nan 8.150 nan 0.000 0.442 1160 H N -0.712 117.971 119.070 -0.644 0.000 2.293 1160 H HA -0.060 4.497 4.556 0.001 0.000 0.300 1160 H C 1.158 176.429 175.328 -0.095 0.000 1.082 1160 H CA 1.571 57.460 56.048 -0.266 0.000 1.308 1160 H CB 0.123 29.725 29.762 -0.267 0.000 1.375 1160 H HN 0.385 nan 8.280 nan 0.000 0.495 1161 E N 0.709 120.920 120.200 0.019 0.000 2.465 1161 E HA -0.041 4.310 4.350 0.001 0.000 0.191 1161 E C -0.045 176.562 176.600 0.012 0.000 1.053 1161 E CA -0.218 56.194 56.400 0.020 0.000 0.869 1161 E CB -0.480 29.226 29.700 0.009 0.000 0.977 1161 E HN 0.410 nan 8.360 nan 0.000 0.483 1162 N N 0.636 119.331 118.700 -0.008 0.000 2.667 1162 N HA -0.189 4.551 4.740 0.001 0.000 0.263 1162 N C -0.731 174.796 175.510 0.028 0.000 1.038 1162 N CA 0.565 53.620 53.050 0.009 0.000 0.749 1162 N CB -0.841 37.664 38.487 0.030 0.000 0.892 1162 N HN 0.025 nan 8.380 nan 0.000 0.546 1163 V N -2.307 117.627 119.914 0.035 0.000 3.049 1163 V HA 0.674 4.794 4.120 0.001 0.000 0.309 1163 V C 0.257 176.412 176.094 0.102 0.000 1.148 1163 V CA -0.975 61.361 62.300 0.059 0.000 0.990 1163 V CB 2.082 33.930 31.823 0.041 0.000 1.039 1163 V HN -0.097 nan 8.190 nan 0.000 0.430 1164 V N 3.065 123.057 119.914 0.130 0.000 2.530 1164 V HA 0.459 4.579 4.120 0.001 0.000 0.282 1164 V C 0.117 176.338 176.094 0.211 0.000 1.048 1164 V CA -0.117 62.292 62.300 0.181 0.000 0.997 1164 V CB 1.316 33.246 31.823 0.178 0.000 0.987 1164 V HN 0.755 nan 8.190 nan 0.000 0.477 1165 V N 5.890 125.972 119.914 0.280 0.000 2.448 1165 V HA 0.494 4.614 4.120 0.001 0.000 0.295 1165 V C -0.247 176.086 176.094 0.398 0.000 1.025 1165 V CA -0.548 61.963 62.300 0.351 0.000 0.859 1165 V CB 1.924 33.953 31.823 0.343 0.000 0.988 1165 V HN 0.587 nan 8.190 nan 0.000 0.431 1166 V N 3.871 124.003 119.914 0.364 0.000 2.487 1166 V HA 0.546 4.666 4.120 0.001 0.000 0.298 1166 V C 0.192 176.479 176.094 0.323 0.000 1.028 1166 V CA -0.495 61.975 62.300 0.284 0.000 0.860 1166 V CB 2.216 34.151 31.823 0.186 0.000 0.991 1166 V HN 1.004 nan 8.190 nan 0.000 0.427 1167 T N 3.725 118.472 114.554 0.322 0.000 2.771 1167 T HA 0.800 5.151 4.350 0.001 0.000 0.281 1167 T C -0.405 174.439 174.700 0.240 0.000 0.982 1167 T CA -0.493 61.816 62.100 0.347 0.000 0.978 1167 T CB 1.219 70.342 68.868 0.426 0.000 0.930 1167 T HN 0.644 nan 8.240 nan 0.000 0.447 1168 I N 0.171 120.856 120.570 0.192 0.000 2.863 1168 I HA 0.710 4.881 4.170 0.001 0.000 0.311 1168 I C -0.665 175.615 176.117 0.271 0.000 1.026 1168 I CA -1.327 60.054 61.300 0.134 0.000 1.077 1168 I CB 2.036 40.005 38.000 -0.051 0.000 1.262 1168 I HN 0.558 nan 8.210 nan 0.000 0.461 1169 Q N 1.704 121.700 119.800 0.326 0.000 2.433 1169 Q HA 0.601 4.942 4.340 0.001 0.000 0.279 1169 Q C -1.940 174.308 176.000 0.414 0.000 1.105 1169 Q CA -0.801 55.218 55.803 0.360 0.000 0.815 1169 Q CB 2.963 31.872 28.738 0.285 0.000 1.403 1169 Q HN 0.713 nan 8.270 nan 0.000 0.435 1170 Y N -2.689 117.731 120.300 0.199 0.000 2.581 1170 Y HA 0.525 5.076 4.550 0.001 0.000 0.337 1170 Y C -0.995 174.980 175.900 0.125 0.000 1.108 1170 Y CA -1.449 56.744 58.100 0.155 0.000 1.033 1170 Y CB 0.801 39.307 38.460 0.077 0.000 1.318 1170 Y HN 0.419 nan 8.280 nan 0.000 0.459 1171 R N 2.224 122.793 120.500 0.116 0.000 2.537 1171 R HA 0.298 4.639 4.340 0.001 0.000 0.281 1171 R C -0.750 175.611 176.300 0.101 0.000 0.988 1171 R CA 0.251 56.384 56.100 0.055 0.000 1.077 1171 R CB 0.148 30.506 30.300 0.096 0.000 0.932 1171 R HN 0.674 nan 8.270 nan 0.000 0.409 1172 L N 1.666 122.977 121.223 0.147 0.000 2.335 1172 L HA 0.468 4.808 4.340 0.001 0.000 0.268 1172 L C 1.494 178.648 176.870 0.473 0.000 1.016 1172 L CA -0.373 54.654 54.840 0.313 0.000 0.805 1172 L CB 1.160 43.305 42.059 0.144 0.000 1.311 1172 L HN 0.887 nan 8.230 nan 0.000 0.456 1173 G N 0.499 109.575 108.800 0.460 0.000 2.632 1173 G HA2 -0.355 3.605 3.960 0.001 0.000 0.322 1173 G HA3 -0.355 3.605 3.960 0.001 0.000 0.322 1173 G C 0.843 175.997 174.900 0.422 0.000 1.326 1173 G CA 0.808 46.127 45.100 0.365 0.000 0.986 1173 G HN 0.657 nan 8.290 nan 0.000 0.541 1174 I N -0.598 120.167 120.570 0.324 0.000 2.163 1174 I HA -0.186 3.984 4.170 0.001 0.000 0.243 1174 I C 2.812 179.170 176.117 0.402 0.000 1.085 1174 I CA 2.230 63.677 61.300 0.245 0.000 1.347 1174 I CB -0.352 37.593 38.000 -0.091 0.000 1.044 1174 I HN 0.545 nan 8.210 nan 0.000 0.408 1175 W N 0.776 122.267 121.300 0.320 0.000 2.342 1175 W HA -0.111 4.549 4.660 0.001 0.000 0.297 1175 W C 2.339 179.006 176.519 0.246 0.000 1.213 1175 W CA 1.336 58.805 57.345 0.208 0.000 1.251 1175 W CB -0.789 28.687 29.460 0.026 0.000 1.136 1175 W HN 0.256 nan 8.180 nan 0.000 0.526 1176 G N -2.424 106.619 108.800 0.405 0.000 2.833 1176 G HA2 0.053 4.014 3.960 0.001 0.000 0.210 1176 G HA3 0.053 4.014 3.960 0.001 0.000 0.210 1176 G C 0.714 175.299 174.900 -0.526 0.000 1.139 1176 G CA -0.005 45.085 45.100 -0.017 0.000 0.771 1176 G HN 0.143 nan 8.290 nan 0.000 0.535 1177 F N -0.778 119.392 119.950 0.367 0.000 2.838 1177 F HA 0.412 4.939 4.527 0.001 0.000 0.329 1177 F C 0.194 176.044 175.800 0.083 0.000 1.116 1177 F CA -1.425 56.638 58.000 0.105 0.000 1.155 1177 F CB 0.490 39.486 39.000 -0.005 0.000 1.106 1177 F HN -0.010 nan 8.300 nan 0.000 0.538 1178 F N 2.273 122.376 119.950 0.255 0.000 2.557 1178 F HA 0.324 4.852 4.527 0.001 0.000 0.384 1178 F C 0.402 176.235 175.800 0.055 0.000 1.057 1178 F CA 0.120 58.177 58.000 0.096 0.000 1.169 1178 F CB 0.376 39.318 39.000 -0.095 0.000 1.070 1178 F HN -0.125 nan 8.300 nan 0.000 0.554 1179 S N 3.947 119.192 115.700 -0.758 0.000 2.561 1179 S HA 0.312 4.782 4.470 0.001 0.000 0.303 1179 S C 0.608 174.819 174.600 -0.648 0.000 1.110 1179 S CA -0.110 57.753 58.200 -0.561 0.000 1.034 1179 S CB 1.157 64.165 63.200 -0.320 0.000 1.010 1179 S HN 0.805 nan 8.310 nan 0.000 0.482 1180 T N 1.189 115.511 114.554 -0.387 0.000 3.107 1180 T HA 0.332 4.682 4.350 0.001 0.000 0.249 1180 T C 1.484 176.120 174.700 -0.108 0.000 1.096 1180 T CA 0.543 62.519 62.100 -0.206 0.000 1.012 1180 T CB -0.149 68.726 68.868 0.012 0.000 0.977 1180 T HN 1.587 nan 8.240 nan 0.000 0.527 1181 G N 2.189 110.917 108.800 -0.120 0.000 2.159 1181 G HA2 -0.201 3.759 3.960 0.001 0.000 0.256 1181 G HA3 -0.201 3.759 3.960 0.001 0.000 0.256 1181 G C -0.287 174.590 174.900 -0.039 0.000 0.977 1181 G CA 0.293 45.345 45.100 -0.081 0.000 0.652 1181 G HN 0.894 nan 8.290 nan 0.000 0.531 1182 D N -1.446 118.949 120.400 -0.008 0.000 2.781 1182 D HA 0.436 5.076 4.640 0.001 0.000 0.295 1182 D C 1.296 177.593 176.300 -0.005 0.000 1.143 1182 D CA -0.095 53.905 54.000 0.001 0.000 1.076 1182 D CB -0.202 40.623 40.800 0.043 0.000 1.444 1182 D HN 0.137 nan 8.370 nan 0.000 0.567 1183 E N 0.181 120.332 120.200 -0.082 0.000 2.333 1183 E HA -0.239 4.112 4.350 0.001 0.000 0.198 1183 E C 0.834 177.381 176.600 -0.089 0.000 1.007 1183 E CA 1.301 57.638 56.400 -0.107 0.000 0.845 1183 E CB -0.736 28.856 29.700 -0.179 0.000 0.766 1183 E HN 0.623 nan 8.360 nan 0.000 0.507 1184 H N 0.276 119.412 119.070 0.111 0.000 2.524 1184 H HA 0.157 4.713 4.556 0.001 0.000 0.282 1184 H C 0.309 175.766 175.328 0.215 0.000 1.016 1184 H CA 1.149 57.280 56.048 0.138 0.000 1.270 1184 H CB 0.395 30.223 29.762 0.110 0.000 1.394 1184 H HN 0.076 nan 8.280 nan 0.000 0.568 1185 S N -0.512 115.382 115.700 0.322 0.000 2.828 1185 S HA 0.141 4.611 4.470 0.001 0.000 0.149 1185 S C 0.550 175.298 174.600 0.246 0.000 0.924 1185 S CA -0.650 57.835 58.200 0.475 0.000 1.044 1185 S CB -0.085 63.404 63.200 0.481 0.000 1.595 1185 S HN 0.226 nan 8.310 nan 0.000 0.454 1186 R N 1.580 122.166 120.500 0.143 0.000 2.097 1186 R HA 0.197 4.537 4.340 0.001 0.000 0.236 1186 R C 1.451 177.512 176.300 -0.399 0.000 1.135 1186 R CA 1.459 57.482 56.100 -0.128 0.000 0.934 1186 R CB -0.377 29.849 30.300 -0.123 0.000 0.846 1186 R HN 0.889 nan 8.270 nan 0.000 0.431 1187 G N -1.195 106.977 108.800 -1.047 0.000 2.373 1187 G HA2 -0.161 3.800 3.960 0.001 0.000 0.634 1187 G HA3 -0.161 3.800 3.960 0.001 0.000 0.634 1187 G C -0.726 173.425 174.900 -1.249 0.000 1.267 1187 G CA -0.362 43.978 45.100 -1.267 0.000 1.008 1187 G HN 0.243 nan 8.290 nan 0.000 0.497 1188 N N -1.287 116.999 118.700 -0.690 0.000 2.800 1188 N HA -0.198 4.543 4.740 0.001 0.000 0.250 1188 N C 1.280 176.602 175.510 -0.314 0.000 1.078 1188 N CA 1.968 54.857 53.050 -0.269 0.000 0.804 1188 N CB -1.652 36.809 38.487 -0.043 0.000 1.135 1188 N HN 0.738 nan 8.380 nan 0.000 0.565 1189 W N 0.652 121.852 121.300 -0.167 0.000 2.305 1189 W HA -0.162 4.499 4.660 0.001 0.000 0.308 1189 W C 2.484 178.873 176.519 -0.217 0.000 1.226 1189 W CA 0.817 58.083 57.345 -0.133 0.000 1.253 1189 W CB -0.755 28.658 29.460 -0.079 0.000 1.146 1189 W HN 0.287 nan 8.180 nan 0.000 0.507 1190 G N -0.311 108.232 108.800 -0.429 0.000 2.422 1190 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 1190 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 1190 G C 1.195 176.048 174.900 -0.078 0.000 1.146 1190 G CA 1.255 46.188 45.100 -0.278 0.000 0.769 1190 G HN 0.313 nan 8.290 nan 0.000 0.547 1191 H N 0.232 119.316 119.070 0.022 0.000 2.428 1191 H HA 0.128 4.685 4.556 0.001 0.000 0.296 1191 H C 2.690 178.029 175.328 0.017 0.000 1.062 1191 H CA 0.603 56.651 56.048 0.001 0.000 1.350 1191 H CB -0.171 29.599 29.762 0.014 0.000 1.403 1191 H HN 0.284 nan 8.280 nan 0.000 0.533 1192 L N 0.466 121.793 121.223 0.174 0.000 2.093 1192 L HA -0.152 4.188 4.340 0.001 0.000 0.208 1192 L C 1.995 178.982 176.870 0.196 0.000 1.085 1192 L CA 1.024 55.972 54.840 0.180 0.000 0.755 1192 L CB -0.237 41.960 42.059 0.229 0.000 0.904 1192 L HN 0.105 nan 8.230 nan 0.000 0.435 1193 D N -0.047 120.487 120.400 0.224 0.000 2.117 1193 D HA -0.182 4.459 4.640 0.001 0.000 0.198 1193 D C 2.287 178.718 176.300 0.219 0.000 0.982 1193 D CA 1.089 55.293 54.000 0.339 0.000 0.828 1193 D CB -0.169 40.866 40.800 0.393 0.000 0.967 1193 D HN 0.413 nan 8.370 nan 0.000 0.464 1194 Q N 0.233 120.082 119.800 0.083 0.000 2.124 1194 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 1194 Q C 2.359 178.321 176.000 -0.063 0.000 0.977 1194 Q CA 0.773 56.531 55.803 -0.076 0.000 0.850 1194 Q CB 0.041 28.678 28.738 -0.167 0.000 0.901 1194 Q HN 0.140 nan 8.270 nan 0.000 0.429 1195 V N 0.838 120.766 119.914 0.024 0.000 2.427 1195 V HA -0.219 3.901 4.120 0.001 0.000 0.248 1195 V C 2.204 178.347 176.094 0.082 0.000 1.051 1195 V CA 1.631 63.962 62.300 0.052 0.000 1.048 1195 V CB -0.801 31.073 31.823 0.085 0.000 0.666 1195 V HN 0.392 nan 8.190 nan 0.000 0.456 1196 A N -0.046 122.856 122.820 0.138 0.000 1.972 1196 A HA -0.078 4.243 4.320 0.001 0.000 0.219 1196 A C 2.371 180.044 177.584 0.148 0.000 1.169 1196 A CA 1.923 54.100 52.037 0.233 0.000 0.635 1196 A CB -0.551 18.696 19.000 0.411 0.000 0.810 1196 A HN 0.553 nan 8.150 nan 0.000 0.446 1197 A N -0.360 122.318 122.820 -0.236 0.000 1.929 1197 A HA 0.085 4.406 4.320 0.001 0.000 0.216 1197 A C 2.083 179.625 177.584 -0.070 0.000 1.176 1197 A CA 1.189 52.901 52.037 -0.542 0.000 0.628 1197 A CB -0.489 17.939 19.000 -0.953 0.000 0.816 1197 A HN 0.449 nan 8.150 nan 0.000 0.444 1198 L N -0.874 120.335 121.223 -0.022 0.000 2.131 1198 L HA -0.160 4.181 4.340 0.001 0.000 0.210 1198 L C 2.817 179.754 176.870 0.111 0.000 1.092 1198 L CA 1.000 55.878 54.840 0.063 0.000 0.759 1198 L CB -0.401 41.700 42.059 0.069 0.000 0.903 1198 L HN 0.361 nan 8.230 nan 0.000 0.435 1199 R N -1.184 119.391 120.500 0.126 0.000 2.090 1199 R HA -0.186 4.155 4.340 0.001 0.000 0.228 1199 R C 2.056 178.439 176.300 0.138 0.000 1.110 1199 R CA 1.530 57.704 56.100 0.123 0.000 0.973 1199 R CB -0.480 29.902 30.300 0.137 0.000 0.869 1199 R HN 0.410 nan 8.270 nan 0.000 0.440 1200 W N 1.338 122.660 121.300 0.037 0.000 2.363 1200 W HA -0.193 4.467 4.660 0.001 0.000 0.296 1200 W C 1.803 178.330 176.519 0.013 0.000 1.212 1200 W CA 1.137 58.506 57.345 0.040 0.000 1.260 1200 W CB -0.074 29.441 29.460 0.091 0.000 1.131 1200 W HN -0.248 nan 8.180 nan 0.000 0.530 1201 V N 0.999 121.086 119.914 0.288 0.000 2.343 1201 V HA -0.328 3.792 4.120 0.001 0.000 0.247 1201 V C 2.420 178.504 176.094 -0.018 0.000 1.051 1201 V CA 2.018 64.417 62.300 0.164 0.000 1.036 1201 V CB -0.942 31.003 31.823 0.204 0.000 0.654 1201 V HN 0.202 nan 8.190 nan 0.000 0.451 1202 Q N -0.426 119.376 119.800 0.004 0.000 2.364 1202 Q HA -0.152 4.188 4.340 0.001 0.000 0.207 1202 Q C 1.544 177.488 176.000 -0.094 0.000 0.970 1202 Q CA 1.170 56.964 55.803 -0.015 0.000 0.888 1202 Q CB -0.355 28.395 28.738 0.020 0.000 0.951 1202 Q HN 0.626 nan 8.270 nan 0.000 0.469 1203 D N -0.379 119.904 120.400 -0.195 0.000 2.355 1203 D HA 0.039 4.680 4.640 0.001 0.000 0.206 1203 D C 0.969 177.042 176.300 -0.378 0.000 1.010 1203 D CA 0.407 54.249 54.000 -0.263 0.000 0.875 1203 D CB 0.308 40.936 40.800 -0.286 0.000 0.966 1203 D HN 0.251 nan 8.370 nan 0.000 0.512 1204 N N -0.316 118.053 118.700 -0.551 0.000 2.129 1204 N HA 0.025 4.766 4.740 0.001 0.000 0.222 1204 N C 1.326 176.696 175.510 -0.234 0.000 1.303 1204 N CA -0.096 52.625 53.050 -0.548 0.000 0.897 1204 N CB 1.197 39.002 38.487 -1.137 0.000 1.093 1204 N HN -0.015 nan 8.380 nan 0.000 0.501 1205 I N 2.808 123.276 120.570 -0.169 0.000 2.315 1205 I HA -0.180 3.990 4.170 0.001 0.000 0.251 1205 I C 2.230 178.430 176.117 0.137 0.000 1.125 1205 I CA 0.860 62.198 61.300 0.063 0.000 1.392 1205 I CB -0.279 37.759 38.000 0.064 0.000 1.065 1205 I HN 0.104 nan 8.210 nan 0.000 0.424 1206 A N -1.169 121.670 122.820 0.032 0.000 2.019 1206 A HA -0.190 4.131 4.320 0.001 0.000 0.219 1206 A C 2.443 180.030 177.584 0.004 0.000 1.164 1206 A CA 1.891 53.941 52.037 0.021 0.000 0.644 1206 A CB -0.942 18.045 19.000 -0.022 0.000 0.805 1206 A HN 0.444 nan 8.150 nan 0.000 0.449 1207 S N -1.081 114.596 115.700 -0.038 0.000 2.442 1207 S HA -0.064 4.406 4.470 0.001 0.000 0.236 1207 S C 0.800 175.178 174.600 -0.370 0.000 1.007 1207 S CA 1.033 59.094 58.200 -0.232 0.000 0.965 1207 S CB -0.407 62.562 63.200 -0.386 0.000 0.773 1207 S HN 0.600 nan 8.310 nan 0.000 0.504 1208 F N 0.453 120.364 119.950 -0.066 0.000 2.641 1208 F HA 0.365 4.893 4.527 0.001 0.000 0.302 1208 F C 1.670 177.492 175.800 0.038 0.000 1.098 1208 F CA 0.012 57.992 58.000 -0.034 0.000 1.318 1208 F CB -0.093 38.878 39.000 -0.048 0.000 1.035 1208 F HN 0.209 nan 8.300 nan 0.000 0.551 1209 G N 0.239 109.122 108.800 0.139 0.000 2.159 1209 G HA2 -0.189 3.771 3.960 0.001 0.000 0.256 1209 G HA3 -0.189 3.771 3.960 0.001 0.000 0.256 1209 G C 0.625 175.594 174.900 0.115 0.000 0.977 1209 G CA -0.185 44.982 45.100 0.112 0.000 0.652 1209 G HN 0.753 nan 8.290 nan 0.000 0.531 1210 G N -0.504 108.379 108.800 0.137 0.000 2.425 1210 G HA2 0.485 4.445 3.960 0.001 0.000 0.302 1210 G HA3 0.485 4.445 3.960 0.001 0.000 0.302 1210 G C -0.224 174.716 174.900 0.067 0.000 1.159 1210 G CA -0.032 45.135 45.100 0.112 0.000 0.865 1210 G HN 0.512 nan 8.290 nan 0.000 0.515 1211 N N 1.792 120.520 118.700 0.047 0.000 2.589 1211 N HA 0.281 5.021 4.740 0.001 0.000 0.232 1211 N C -0.908 174.612 175.510 0.017 0.000 1.015 1211 N CA -2.447 50.612 53.050 0.015 0.000 0.931 1211 N CB 1.807 40.287 38.487 -0.011 0.000 1.150 1211 N HN 0.113 nan 8.380 nan 0.000 0.512 1212 P HA -0.104 nan 4.420 nan 0.000 0.218 1212 P C 0.977 178.315 177.300 0.063 0.000 1.146 1212 P CA 0.991 64.120 63.100 0.048 0.000 0.813 1212 P CB 0.097 31.809 31.700 0.020 0.000 0.778 1213 G N -0.967 107.811 108.800 -0.037 0.000 2.848 1213 G HA2 -0.028 3.933 3.960 0.001 0.000 0.208 1213 G HA3 -0.028 3.933 3.960 0.001 0.000 0.208 1213 G C 0.618 175.167 174.900 -0.586 0.000 1.152 1213 G CA 0.167 45.151 45.100 -0.193 0.000 0.789 1213 G HN 0.393 nan 8.290 nan 0.000 0.531 1214 S N 0.073 115.603 115.700 -0.283 0.000 2.204 1214 S HA 0.454 4.924 4.470 0.001 0.000 0.147 1214 S C -0.838 173.800 174.600 0.064 0.000 1.711 1214 S CA -0.442 57.619 58.200 -0.233 0.000 1.274 1214 S CB 0.391 63.497 63.200 -0.156 0.000 1.257 1214 S HN -0.066 nan 8.310 nan 0.000 0.404 1215 V N 3.380 123.513 119.914 0.365 0.000 2.370 1215 V HA 0.503 4.624 4.120 0.001 0.000 0.283 1215 V C 0.201 176.462 176.094 0.279 0.000 1.023 1215 V CA -0.350 62.127 62.300 0.295 0.000 0.857 1215 V CB 1.652 33.642 31.823 0.279 0.000 0.985 1215 V HN 0.653 nan 8.190 nan 0.000 0.443 1216 T N 6.708 121.380 114.554 0.196 0.000 2.770 1216 T HA 0.588 4.939 4.350 0.001 0.000 0.283 1216 T C -0.097 174.754 174.700 0.251 0.000 0.988 1216 T CA -0.157 62.048 62.100 0.176 0.000 0.957 1216 T CB 0.668 69.567 68.868 0.052 0.000 0.930 1216 T HN 0.590 nan 8.240 nan 0.000 0.443 1217 I N 1.644 122.345 120.570 0.218 0.000 2.428 1217 I HA 0.883 5.054 4.170 0.001 0.000 0.296 1217 I C -0.771 175.562 176.117 0.360 0.000 0.985 1217 I CA -1.001 60.418 61.300 0.199 0.000 1.260 1217 I CB 0.936 38.844 38.000 -0.154 0.000 1.389 1217 I HN 0.499 nan 8.210 nan 0.000 0.484 1218 F N 2.452 122.430 119.950 0.046 0.000 2.665 1218 F HA 0.973 5.500 4.527 0.001 0.000 0.308 1218 F C -0.524 175.221 175.800 -0.092 0.000 1.112 1218 F CA -1.249 56.815 58.000 0.105 0.000 0.972 1218 F CB 1.174 40.363 39.000 0.315 0.000 1.295 1218 F HN 0.843 nan 8.300 nan 0.000 0.440 1219 G N 0.820 109.439 108.800 -0.302 0.000 2.623 1219 G HA2 0.515 4.475 3.960 0.001 0.000 0.290 1219 G HA3 0.515 4.475 3.960 0.001 0.000 0.290 1219 G C -2.491 172.145 174.900 -0.441 0.000 1.437 1219 G CA -0.767 43.718 45.100 -1.024 0.000 0.798 1219 G HN 0.825 nan 8.290 nan 0.000 0.488 1220 E N 0.195 120.116 120.200 -0.466 0.000 2.238 1220 E HA 0.641 4.992 4.350 0.001 0.000 0.267 1220 E C 0.671 177.293 176.600 0.036 0.000 0.887 1220 E CA 0.257 56.657 56.400 -0.001 0.000 0.769 1220 E CB 2.077 31.918 29.700 0.236 0.000 1.187 1220 E HN 0.772 nan 8.360 nan 0.000 0.416 1221 S N 2.698 118.475 115.700 0.129 0.000 4.140 1221 S HA -0.384 4.087 4.470 0.001 0.000 0.618 1221 S C 1.403 176.115 174.600 0.187 0.000 1.896 1221 S CA 1.995 60.370 58.200 0.292 0.000 4.240 1221 S CB -1.610 61.853 63.200 0.438 0.000 0.208 1221 S HN 0.907 nan 8.310 nan 0.000 0.487 1222 A N 1.066 123.986 122.820 0.166 0.000 2.067 1222 A HA 0.266 4.586 4.320 0.001 0.000 0.219 1222 A C 2.294 179.859 177.584 -0.031 0.000 1.158 1222 A CA 2.089 54.167 52.037 0.069 0.000 0.661 1222 A CB -1.286 17.768 19.000 0.090 0.000 0.801 1222 A HN 1.457 nan 8.150 nan 0.000 0.452 1223 G N -0.652 108.095 108.800 -0.088 0.000 2.430 1223 G HA2 0.131 4.091 3.960 0.001 0.000 0.216 1223 G HA3 0.131 4.091 3.960 0.001 0.000 0.216 1223 G C 1.399 176.145 174.900 -0.257 0.000 1.146 1223 G CA 1.050 45.967 45.100 -0.306 0.000 0.793 1223 G HN 0.605 nan 8.290 nan 0.000 0.537 1224 G N 0.309 109.041 108.800 -0.114 0.000 2.394 1224 G HA2 -0.115 3.845 3.960 0.001 0.000 0.215 1224 G HA3 -0.115 3.845 3.960 0.001 0.000 0.215 1224 G C 1.517 176.403 174.900 -0.023 0.000 1.165 1224 G CA 1.010 46.092 45.100 -0.032 0.000 0.784 1224 G HN 0.429 nan 8.290 nan 0.000 0.535 1225 E N 0.915 121.103 120.200 -0.020 0.000 2.106 1225 E HA -0.104 4.246 4.350 0.001 0.000 0.192 1225 E C 2.577 179.121 176.600 -0.093 0.000 0.984 1225 E CA 1.173 57.550 56.400 -0.039 0.000 0.806 1225 E CB -0.165 29.516 29.700 -0.033 0.000 0.750 1225 E HN 0.339 nan 8.360 nan 0.000 0.458 1226 S N 0.373 116.008 115.700 -0.108 0.000 2.353 1226 S HA -0.151 4.319 4.470 0.001 0.000 0.222 1226 S C 2.161 176.620 174.600 -0.236 0.000 1.035 1226 S CA 1.340 59.455 58.200 -0.142 0.000 1.025 1226 S CB -0.397 62.675 63.200 -0.214 0.000 0.902 1226 S HN 0.151 nan 8.310 nan 0.000 0.440 1227 V N 1.376 121.146 119.914 -0.240 0.000 2.324 1227 V HA -0.198 3.923 4.120 0.001 0.000 0.250 1227 V C 2.598 178.522 176.094 -0.283 0.000 1.060 1227 V CA 2.076 64.205 62.300 -0.285 0.000 1.042 1227 V CB -0.878 30.832 31.823 -0.188 0.000 0.650 1227 V HN 0.545 nan 8.190 nan 0.000 0.450 1228 S N -0.647 114.962 115.700 -0.152 0.000 2.368 1228 S HA -0.158 4.312 4.470 0.001 0.000 0.225 1228 S C 1.934 176.433 174.600 -0.167 0.000 1.030 1228 S CA 1.769 59.910 58.200 -0.098 0.000 0.999 1228 S CB -0.159 63.055 63.200 0.024 0.000 0.844 1228 S HN 0.359 nan 8.310 nan 0.000 0.459 1229 V N 2.002 121.784 119.914 -0.220 0.000 2.427 1229 V HA -0.085 4.035 4.120 0.001 0.000 0.248 1229 V C 2.283 178.219 176.094 -0.263 0.000 1.051 1229 V CA 1.495 63.627 62.300 -0.280 0.000 1.048 1229 V CB -0.640 30.895 31.823 -0.480 0.000 0.666 1229 V HN 0.474 nan 8.190 nan 0.000 0.456 1230 L N -0.431 120.623 121.223 -0.282 0.000 2.275 1230 L HA -0.107 4.233 4.340 0.001 0.000 0.215 1230 L C 2.315 179.135 176.870 -0.084 0.000 1.119 1230 L CA 0.781 55.483 54.840 -0.231 0.000 0.790 1230 L CB -0.470 41.352 42.059 -0.395 0.000 0.919 1230 L HN 0.218 nan 8.230 nan 0.000 0.443 1231 V N -0.162 119.672 119.914 -0.133 0.000 2.809 1231 V HA -0.174 3.947 4.120 0.001 0.000 0.256 1231 V C 1.947 178.084 176.094 0.072 0.000 1.080 1231 V CA 1.200 63.534 62.300 0.055 0.000 1.102 1231 V CB -0.049 31.660 31.823 -0.191 0.000 0.705 1231 V HN 0.390 nan 8.190 nan 0.000 0.475 1232 L N -1.022 120.139 121.223 -0.104 0.000 2.616 1232 L HA 0.228 4.568 4.340 0.001 0.000 0.229 1232 L C 1.082 177.717 176.870 -0.391 0.000 1.110 1232 L CA 0.196 54.881 54.840 -0.259 0.000 0.884 1232 L CB 0.320 42.264 42.059 -0.190 0.000 1.115 1232 L HN 0.169 nan 8.230 nan 0.000 0.481 1233 S N 0.091 115.657 115.700 -0.223 0.000 2.499 1233 S HA 0.294 4.764 4.470 0.001 0.000 0.279 1233 S C -1.694 172.878 174.600 -0.045 0.000 1.219 1233 S CA -1.382 56.720 58.200 -0.164 0.000 1.062 1233 S CB 1.285 64.434 63.200 -0.085 0.000 0.978 1233 S HN -0.116 nan 8.310 nan 0.000 0.489 1234 P HA 0.018 nan 4.420 nan 0.000 0.223 1234 P C 1.083 178.503 177.300 0.199 0.000 1.151 1234 P CA 0.753 63.962 63.100 0.182 0.000 0.787 1234 P CB 0.087 31.838 31.700 0.085 0.000 0.788 1235 L N -1.334 119.960 121.223 0.118 0.000 2.201 1235 L HA -0.071 4.270 4.340 0.001 0.000 0.212 1235 L C 2.136 179.094 176.870 0.145 0.000 1.105 1235 L CA 1.224 56.131 54.840 0.110 0.000 0.775 1235 L CB -0.810 41.296 42.059 0.077 0.000 0.913 1235 L HN -0.034 nan 8.230 nan 0.000 0.440 1236 A N -1.375 121.570 122.820 0.207 0.000 2.275 1236 A HA 0.010 4.330 4.320 0.001 0.000 0.212 1236 A C 1.042 178.795 177.584 0.282 0.000 1.201 1236 A CA -0.137 52.074 52.037 0.291 0.000 0.843 1236 A CB -0.055 19.171 19.000 0.377 0.000 0.873 1236 A HN 0.011 nan 8.150 nan 0.000 0.492 1237 K N 1.869 122.410 120.400 0.235 0.000 2.466 1237 K HA -0.080 4.240 4.320 0.001 0.000 0.278 1237 K C -0.334 176.246 176.600 -0.033 0.000 1.048 1237 K CA 0.393 56.723 56.287 0.071 0.000 1.088 1237 K CB -0.132 32.417 32.500 0.081 0.000 0.884 1237 K HN 0.481 nan 8.250 nan 0.000 0.478 1238 N N 2.585 121.202 118.700 -0.139 0.000 2.829 1238 N HA -0.222 4.519 4.740 0.001 0.000 0.250 1238 N C 0.273 175.671 175.510 -0.188 0.000 1.090 1238 N CA 0.764 53.714 53.050 -0.167 0.000 0.781 1238 N CB -1.165 37.267 38.487 -0.091 0.000 1.124 1238 N HN 0.572 nan 8.380 nan 0.000 0.559 1239 L N -1.151 119.970 121.223 -0.170 0.000 2.766 1239 L HA 0.291 4.632 4.340 0.001 0.000 0.242 1239 L C 0.090 177.000 176.870 0.067 0.000 1.136 1239 L CA 0.083 54.933 54.840 0.016 0.000 0.933 1239 L CB 0.078 42.237 42.059 0.167 0.000 1.241 1239 L HN 0.162 nan 8.230 nan 0.000 0.522 1240 F N -4.337 115.415 119.950 -0.331 0.000 2.693 1240 F HA 0.439 4.966 4.527 0.001 0.000 0.309 1240 F C 0.052 175.496 175.800 -0.593 0.000 1.129 1240 F CA -1.104 56.702 58.000 -0.324 0.000 0.948 1240 F CB 0.809 39.730 39.000 -0.131 0.000 1.315 1240 F HN -0.098 nan 8.300 nan 0.000 0.447 1241 H N -0.819 118.235 119.070 -0.027 0.000 3.170 1241 H HA 0.529 5.085 4.556 0.001 0.000 0.264 1241 H C -0.622 174.644 175.328 -0.102 0.000 1.113 1241 H CA -0.404 55.544 56.048 -0.167 0.000 1.194 1241 H CB 0.676 30.362 29.762 -0.126 0.000 1.553 1241 H HN 0.472 nan 8.280 nan 0.000 0.538 1242 R N 0.241 120.831 120.500 0.150 0.000 2.643 1242 R HA 0.767 5.108 4.340 0.001 0.000 0.269 1242 R C -1.530 174.927 176.300 0.262 0.000 1.037 1242 R CA -0.719 55.433 56.100 0.087 0.000 0.894 1242 R CB 2.280 32.459 30.300 -0.202 0.000 1.238 1242 R HN 0.140 nan 8.270 nan 0.000 0.459 1243 A N 2.617 125.626 122.820 0.315 0.000 2.435 1243 A HA 0.818 5.138 4.320 0.001 0.000 0.304 1243 A C -1.092 176.714 177.584 0.370 0.000 1.064 1243 A CA -0.667 51.500 52.037 0.217 0.000 0.727 1243 A CB 1.186 20.113 19.000 -0.122 0.000 1.284 1243 A HN 0.616 nan 8.150 nan 0.000 0.415 1244 I N 1.347 122.092 120.570 0.290 0.000 2.500 1244 I HA 0.281 4.452 4.170 0.001 0.000 0.286 1244 I C -0.220 176.066 176.117 0.281 0.000 1.063 1244 I CA -0.212 61.229 61.300 0.234 0.000 1.062 1244 I CB 2.309 40.386 38.000 0.129 0.000 1.223 1244 I HN 0.499 nan 8.210 nan 0.000 0.435 1245 S N 5.153 121.000 115.700 0.244 0.000 2.448 1245 S HA 0.325 4.796 4.470 0.001 0.000 0.320 1245 S C -0.375 174.307 174.600 0.137 0.000 1.071 1245 S CA -0.529 57.776 58.200 0.174 0.000 1.113 1245 S CB 0.643 63.940 63.200 0.161 0.000 0.972 1245 S HN 0.467 nan 8.310 nan 0.000 0.465 1246 E N 2.090 122.409 120.200 0.198 0.000 2.035 1246 E HA 0.320 4.670 4.350 0.001 0.000 0.271 1246 E C -0.472 176.206 176.600 0.131 0.000 0.953 1246 E CA -0.400 56.145 56.400 0.242 0.000 0.777 1246 E CB 0.806 30.730 29.700 0.374 0.000 1.104 1246 E HN 0.623 nan 8.360 nan 0.000 0.408 1247 S N 1.993 117.743 115.700 0.084 0.000 3.766 1247 S HA -0.097 4.374 4.470 0.001 0.000 0.416 1247 S C -0.032 174.768 174.600 0.333 0.000 0.902 1247 S CA 0.462 58.728 58.200 0.110 0.000 1.283 1247 S CB -1.071 62.087 63.200 -0.069 0.000 0.891 1247 S HN 0.957 nan 8.310 nan 0.000 0.556 1248 G N -0.893 108.089 108.800 0.304 0.000 2.308 1248 G HA2 0.521 4.482 3.960 0.001 0.000 0.288 1248 G HA3 0.521 4.482 3.960 0.001 0.000 0.288 1248 G C -0.921 174.042 174.900 0.104 0.000 1.722 1248 G CA 0.222 45.476 45.100 0.257 0.000 0.924 1248 G HN 1.677 nan 8.290 nan 0.000 0.732 1249 V N -1.073 118.864 119.914 0.040 0.000 3.206 1249 V HA 0.914 5.035 4.120 0.001 0.000 0.305 1249 V C 1.190 177.261 176.094 -0.038 0.000 1.257 1249 V CA 0.014 62.321 62.300 0.011 0.000 1.057 1249 V CB 1.203 33.024 31.823 -0.003 0.000 1.075 1249 V HN 2.391 nan 8.190 nan 0.000 0.443 1250 A N 0.222 123.018 122.820 -0.040 0.000 2.225 1250 A HA 0.161 4.481 4.320 0.001 0.000 0.215 1250 A C 1.445 178.970 177.584 -0.099 0.000 1.164 1250 A CA 1.619 53.608 52.037 -0.079 0.000 0.710 1250 A CB -0.737 18.215 19.000 -0.079 0.000 0.780 1250 A HN 0.876 nan 8.150 nan 0.000 0.473 1251 L N -0.550 120.612 121.223 -0.102 0.000 2.607 1251 L HA 0.058 4.398 4.340 0.001 0.000 0.228 1251 L C 0.294 177.051 176.870 -0.189 0.000 1.123 1251 L CA 0.026 54.783 54.840 -0.138 0.000 0.890 1251 L CB -0.052 41.932 42.059 -0.124 0.000 1.103 1251 L HN 0.095 nan 8.230 nan 0.000 0.468 1252 T N 0.169 114.611 114.554 -0.187 0.000 4.219 1252 T HA 0.040 4.391 4.350 0.001 0.000 0.263 1252 T C 1.486 176.042 174.700 -0.239 0.000 1.217 1252 T CA 0.017 61.965 62.100 -0.253 0.000 1.145 1252 T CB 0.275 68.996 68.868 -0.245 0.000 1.298 1252 T HN 0.211 nan 8.240 nan 0.000 0.999 1253 S N 1.956 117.504 115.700 -0.253 0.000 2.451 1253 S HA -0.231 4.240 4.470 0.001 0.000 0.272 1253 S C 2.310 176.787 174.600 -0.205 0.000 1.136 1253 S CA 1.729 59.789 58.200 -0.233 0.000 1.209 1253 S CB -0.813 62.220 63.200 -0.278 0.000 1.130 1253 S HN 0.611 nan 8.310 nan 0.000 0.440 1254 V N 1.568 121.349 119.914 -0.222 0.000 2.363 1254 V HA -0.207 3.914 4.120 0.001 0.000 0.254 1254 V C 1.655 177.658 176.094 -0.152 0.000 1.074 1254 V CA 2.071 64.264 62.300 -0.179 0.000 1.069 1254 V CB -0.403 31.311 31.823 -0.181 0.000 0.659 1254 V HN 0.558 nan 8.190 nan 0.000 0.455 1255 L N -0.640 120.488 121.223 -0.158 0.000 2.567 1255 L HA 0.201 4.541 4.340 0.001 0.000 0.225 1255 L C 0.183 176.961 176.870 -0.154 0.000 1.119 1255 L CA -0.120 54.626 54.840 -0.158 0.000 0.871 1255 L CB 0.480 42.457 42.059 -0.137 0.000 1.036 1255 L HN 0.136 nan 8.230 nan 0.000 0.459 1256 V N 0.661 120.490 119.914 -0.141 0.000 2.409 1256 V HA 0.317 4.438 4.120 0.001 0.000 0.291 1256 V C -0.108 175.918 176.094 -0.114 0.000 1.020 1256 V CA -0.969 61.258 62.300 -0.122 0.000 0.848 1256 V CB 1.838 33.588 31.823 -0.122 0.000 0.990 1256 V HN -0.001 nan 8.190 nan 0.000 0.430 1257 K N 4.148 124.489 120.400 -0.099 0.000 2.201 1257 K HA 0.587 4.907 4.320 0.001 0.000 0.278 1257 K C -0.534 176.019 176.600 -0.079 0.000 1.027 1257 K CA -0.372 55.864 56.287 -0.086 0.000 0.909 1257 K CB 1.721 34.171 32.500 -0.082 0.000 1.062 1257 K HN 0.589 nan 8.250 nan 0.000 0.465 1258 K N 0.207 120.566 120.400 -0.069 0.000 2.385 1258 K HA 0.656 4.977 4.320 0.001 0.000 0.248 1258 K C -0.078 176.495 176.600 -0.044 0.000 0.955 1258 K CA -0.546 55.704 56.287 -0.061 0.000 0.816 1258 K CB 1.965 34.425 32.500 -0.066 0.000 1.250 1258 K HN 0.744 nan 8.250 nan 0.000 0.434 1259 G N 1.246 110.021 108.800 -0.040 0.000 2.725 1259 G HA2 -0.218 3.742 3.960 0.001 0.000 0.220 1259 G HA3 -0.218 3.742 3.960 0.001 0.000 0.220 1259 G C -1.138 173.741 174.900 -0.034 0.000 1.357 1259 G CA -0.644 44.439 45.100 -0.029 0.000 0.866 1259 G HN 0.679 nan 8.290 nan 0.000 0.548 1260 D N 0.221 120.606 120.400 -0.026 0.000 2.434 1260 D HA 0.267 4.907 4.640 0.001 0.000 0.252 1260 D C 1.822 178.099 176.300 -0.039 0.000 1.185 1260 D CA 0.624 54.605 54.000 -0.030 0.000 0.886 1260 D CB 1.234 42.022 40.800 -0.020 0.000 1.148 1260 D HN 1.189 nan 8.370 nan 0.000 0.483 1261 V N 2.284 122.164 119.914 -0.058 0.000 3.590 1261 V HA 0.077 4.197 4.120 0.001 0.000 0.265 1261 V C 2.120 178.163 176.094 -0.086 0.000 1.239 1261 V CA 0.286 62.539 62.300 -0.077 0.000 1.117 1261 V CB -0.121 31.635 31.823 -0.111 0.000 0.818 1261 V HN 0.288 nan 8.190 nan 0.000 0.451 1262 K N 2.188 122.547 120.400 -0.068 0.000 2.089 1262 K HA -0.111 4.210 4.320 0.001 0.000 0.210 1262 K C -0.178 176.401 176.600 -0.035 0.000 1.048 1262 K CA 2.575 58.829 56.287 -0.055 0.000 0.926 1262 K CB -1.706 30.778 32.500 -0.026 0.000 0.714 1262 K HN 0.444 nan 8.250 nan 0.000 0.448 1263 P HA -0.153 nan 4.420 nan 0.000 0.218 1263 P C 1.336 178.636 177.300 0.000 0.000 1.148 1263 P CA 0.987 64.083 63.100 -0.006 0.000 0.822 1263 P CB 0.038 31.736 31.700 -0.004 0.000 0.784 1264 L N -1.141 120.075 121.223 -0.012 0.000 2.072 1264 L HA -0.114 4.227 4.340 0.001 0.000 0.205 1264 L C 2.183 179.065 176.870 0.020 0.000 1.079 1264 L CA 1.545 56.392 54.840 0.011 0.000 0.752 1264 L CB -0.831 41.226 42.059 -0.003 0.000 0.906 1264 L HN -0.048 nan 8.230 nan 0.000 0.436 1265 A N 0.071 122.859 122.820 -0.054 0.000 1.873 1265 A HA -0.299 4.022 4.320 0.001 0.000 0.218 1265 A C 2.000 179.659 177.584 0.125 0.000 1.193 1265 A CA 2.127 54.144 52.037 -0.034 0.000 0.629 1265 A CB -0.698 18.198 19.000 -0.173 0.000 0.826 1265 A HN 0.563 nan 8.150 nan 0.000 0.447 1266 E N -1.023 119.216 120.200 0.065 0.000 2.118 1266 E HA -0.275 4.076 4.350 0.001 0.000 0.195 1266 E C 2.281 178.919 176.600 0.062 0.000 0.992 1266 E CA 1.379 57.817 56.400 0.064 0.000 0.804 1266 E CB -0.170 29.551 29.700 0.034 0.000 0.741 1266 E HN 0.809 nan 8.360 nan 0.000 0.458 1267 Q N 0.617 120.451 119.800 0.056 0.000 2.084 1267 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 1267 Q C 2.138 178.175 176.000 0.062 0.000 0.978 1267 Q CA 1.216 57.046 55.803 0.046 0.000 0.844 1267 Q CB 0.014 28.776 28.738 0.040 0.000 0.898 1267 Q HN 0.315 nan 8.270 nan 0.000 0.426 1268 I N 0.341 120.981 120.570 0.117 0.000 2.202 1268 I HA -0.243 3.927 4.170 0.001 0.000 0.242 1268 I C 2.472 178.636 176.117 0.078 0.000 1.091 1268 I CA 0.818 62.199 61.300 0.136 0.000 1.368 1268 I CB -0.522 37.638 38.000 0.266 0.000 1.058 1268 I HN 0.272 nan 8.210 nan 0.000 0.410 1269 A N 1.439 124.314 122.820 0.093 0.000 1.873 1269 A HA -0.237 4.083 4.320 0.001 0.000 0.218 1269 A C 2.289 179.881 177.584 0.014 0.000 1.193 1269 A CA 1.900 53.959 52.037 0.036 0.000 0.629 1269 A CB -1.010 18.027 19.000 0.063 0.000 0.826 1269 A HN 0.397 nan 8.150 nan 0.000 0.447 1270 I N -0.679 119.904 120.570 0.022 0.000 2.179 1270 I HA -0.229 3.942 4.170 0.001 0.000 0.242 1270 I C 2.613 178.730 176.117 -0.000 0.000 1.088 1270 I CA 1.765 63.071 61.300 0.009 0.000 1.357 1270 I CB -0.756 37.250 38.000 0.009 0.000 1.051 1270 I HN 0.273 nan 8.210 nan 0.000 0.409 1271 T N 0.848 115.402 114.554 0.000 0.000 2.720 1271 T HA -0.185 4.165 4.350 0.001 0.000 0.268 1271 T C 1.973 176.664 174.700 -0.014 0.000 1.037 1271 T CA 1.565 63.659 62.100 -0.011 0.000 1.144 1271 T CB -0.330 68.527 68.868 -0.017 0.000 0.864 1271 T HN 0.497 nan 8.240 nan 0.000 0.444 1272 A N 0.401 123.212 122.820 -0.015 0.000 2.121 1272 A HA 0.416 4.737 4.320 0.001 0.000 0.218 1272 A C 1.802 179.371 177.584 -0.025 0.000 1.154 1272 A CA 1.118 53.138 52.037 -0.028 0.000 0.679 1272 A CB -0.770 18.199 19.000 -0.052 0.000 0.795 1272 A HN 0.936 nan 8.150 nan 0.000 0.458 1273 G N -2.159 106.630 108.800 -0.017 0.000 2.270 1273 G HA2 -0.152 3.808 3.960 0.001 0.000 0.224 1273 G HA3 -0.152 3.808 3.960 0.001 0.000 0.224 1273 G C -0.116 174.776 174.900 -0.015 0.000 1.079 1273 G CA -0.141 44.950 45.100 -0.014 0.000 0.807 1273 G HN 0.616 nan 8.290 nan 0.000 0.492 1274 c N -0.500 118.092 118.600 -0.013 0.000 2.630 1274 c HA 0.790 5.360 4.570 0.001 0.000 0.346 1274 c C 0.899 174.990 174.090 0.002 0.000 1.245 1274 c CA -0.863 55.460 56.329 -0.010 0.000 1.804 1274 c CB 1.727 44.223 42.510 -0.023 0.000 2.279 1274 c HN 0.603 nan 8.230 nan 0.000 0.498 1275 K N 0.322 120.726 120.400 0.008 0.000 2.107 1275 K HA 0.423 4.744 4.320 0.001 0.000 0.251 1275 K C 0.648 177.258 176.600 0.016 0.000 1.012 1275 K CA 0.160 56.454 56.287 0.011 0.000 0.920 1275 K CB 0.616 33.124 32.500 0.014 0.000 1.033 1275 K HN 0.866 nan 8.250 nan 0.000 0.478 1276 T N -3.105 111.459 114.554 0.016 0.000 3.337 1276 T HA 0.070 4.420 4.350 0.001 0.000 0.299 1276 T C 0.898 175.606 174.700 0.013 0.000 0.998 1276 T CA -0.410 61.703 62.100 0.021 0.000 0.948 1276 T CB 0.074 68.956 68.868 0.024 0.000 1.170 1276 T HN 0.449 nan 8.240 nan 0.000 0.508 1277 T N 2.847 117.405 114.554 0.007 0.000 2.685 1277 T HA -0.044 4.307 4.350 0.001 0.000 0.268 1277 T C 1.224 175.920 174.700 -0.006 0.000 1.034 1277 T CA 2.067 64.167 62.100 -0.001 0.000 1.149 1277 T CB -0.429 68.435 68.868 -0.006 0.000 0.860 1277 T HN 0.891 nan 8.240 nan 0.000 0.449 1278 T N -2.658 111.888 114.554 -0.013 0.000 2.754 1278 T HA 0.497 4.847 4.350 0.001 0.000 0.296 1278 T C 0.948 175.634 174.700 -0.024 0.000 1.205 1278 T CA -0.345 61.739 62.100 -0.027 0.000 1.009 1278 T CB 1.563 70.391 68.868 -0.066 0.000 1.368 1278 T HN -0.175 nan 8.240 nan 0.000 0.509 1279 S N 0.123 115.801 115.700 -0.036 0.000 2.357 1279 S HA 0.096 4.567 4.470 0.001 0.000 0.221 1279 S C 2.501 177.065 174.600 -0.059 0.000 1.031 1279 S CA 1.101 59.306 58.200 0.010 0.000 0.982 1279 S CB -0.990 62.276 63.200 0.110 0.000 0.853 1279 S HN 0.926 nan 8.310 nan 0.000 0.458 1280 A N 1.271 123.891 122.820 -0.333 0.000 1.908 1280 A HA -0.086 4.234 4.320 0.001 0.000 0.218 1280 A C 2.308 179.848 177.584 -0.072 0.000 1.181 1280 A CA 1.631 53.473 52.037 -0.326 0.000 0.627 1280 A CB -0.972 17.692 19.000 -0.560 0.000 0.818 1280 A HN 0.343 nan 8.150 nan 0.000 0.445 1281 V N -0.155 119.721 119.914 -0.064 0.000 2.343 1281 V HA -0.315 3.805 4.120 0.001 0.000 0.247 1281 V C 2.629 178.756 176.094 0.054 0.000 1.051 1281 V CA 2.175 64.482 62.300 0.011 0.000 1.036 1281 V CB -0.691 31.127 31.823 -0.008 0.000 0.654 1281 V HN 0.574 nan 8.190 nan 0.000 0.451 1282 M N -0.641 118.981 119.600 0.038 0.000 2.086 1282 M HA -0.149 4.331 4.480 0.001 0.000 0.261 1282 M C 2.212 178.507 176.300 -0.008 0.000 1.067 1282 M CA 1.644 56.968 55.300 0.040 0.000 1.116 1282 M CB -0.473 32.188 32.600 0.101 0.000 1.348 1282 M HN 0.258 nan 8.290 nan 0.000 0.407 1283 V N -0.756 119.179 119.914 0.036 0.000 2.427 1283 V HA -0.267 3.853 4.120 0.001 0.000 0.248 1283 V C 2.221 178.354 176.094 0.065 0.000 1.051 1283 V CA 2.200 64.501 62.300 0.003 0.000 1.048 1283 V CB -1.096 30.807 31.823 0.133 0.000 0.666 1283 V HN 0.484 nan 8.190 nan 0.000 0.456 1284 H N -0.636 118.440 119.070 0.010 0.000 2.353 1284 H HA -0.208 4.349 4.556 0.001 0.000 0.300 1284 H C 2.340 177.667 175.328 -0.001 0.000 1.090 1284 H CA 2.318 58.373 56.048 0.010 0.000 1.327 1284 H CB -0.529 29.230 29.762 -0.005 0.000 1.383 1284 H HN 0.455 nan 8.280 nan 0.000 0.508 1285 c N -0.154 118.414 118.600 -0.053 0.000 2.462 1285 c HA -0.053 4.518 4.570 0.001 0.000 0.278 1285 c C 2.785 176.803 174.090 -0.120 0.000 1.253 1285 c CA 0.924 57.192 56.329 -0.101 0.000 1.713 1285 c CB -1.391 41.105 42.510 -0.023 0.000 2.049 1285 c HN 0.672 nan 8.230 nan 0.000 0.477 1286 L N 0.413 121.573 121.223 -0.105 0.000 2.129 1286 L HA -0.160 4.181 4.340 0.001 0.000 0.212 1286 L C 2.902 179.770 176.870 -0.002 0.000 1.087 1286 L CA 1.584 56.373 54.840 -0.085 0.000 0.757 1286 L CB -0.653 41.263 42.059 -0.238 0.000 0.896 1286 L HN 0.382 nan 8.230 nan 0.000 0.434 1287 R N -0.620 119.875 120.500 -0.009 0.000 2.189 1287 R HA -0.122 4.218 4.340 0.001 0.000 0.223 1287 R C 2.281 178.487 176.300 -0.156 0.000 1.092 1287 R CA 0.759 56.797 56.100 -0.104 0.000 0.989 1287 R CB 0.000 30.238 30.300 -0.103 0.000 0.876 1287 R HN 0.433 nan 8.270 nan 0.000 0.457 1288 Q N 0.631 120.326 119.800 -0.175 0.000 2.187 1288 Q HA 0.006 4.346 4.340 0.001 0.000 0.199 1288 Q C 0.258 176.200 176.000 -0.097 0.000 0.957 1288 Q CA 0.725 56.437 55.803 -0.151 0.000 0.857 1288 Q CB 0.065 28.702 28.738 -0.168 0.000 0.929 1288 Q HN 0.025 nan 8.270 nan 0.000 0.453 1289 K N 2.608 122.954 120.400 -0.090 0.000 2.485 1289 K HA 0.031 4.351 4.320 0.001 0.000 0.277 1289 K C 0.632 177.207 176.600 -0.041 0.000 0.990 1289 K CA 0.253 56.502 56.287 -0.063 0.000 0.994 1289 K CB 0.111 32.565 32.500 -0.076 0.000 0.906 1289 K HN 0.273 nan 8.250 nan 0.000 0.488 1290 T N -2.008 112.540 114.554 -0.010 0.000 2.788 1290 T HA 0.061 4.412 4.350 0.001 0.000 0.287 1290 T C 1.353 176.103 174.700 0.083 0.000 1.007 1290 T CA -0.608 61.505 62.100 0.021 0.000 1.005 1290 T CB 1.129 70.010 68.868 0.021 0.000 1.012 1290 T HN 0.609 nan 8.240 nan 0.000 0.530 1291 E N 0.185 120.463 120.200 0.129 0.000 2.023 1291 E HA -0.262 4.089 4.350 0.001 0.000 0.196 1291 E C 1.932 178.678 176.600 0.244 0.000 1.003 1291 E CA 1.545 58.105 56.400 0.267 0.000 0.809 1291 E CB -0.218 29.569 29.700 0.146 0.000 0.755 1291 E HN 0.791 nan 8.360 nan 0.000 0.449 1292 E N 0.781 121.058 120.200 0.128 0.000 2.171 1292 E HA -0.229 4.122 4.350 0.001 0.000 0.197 1292 E C 1.719 178.377 176.600 0.098 0.000 0.997 1292 E CA 1.705 58.166 56.400 0.102 0.000 0.810 1292 E CB -0.046 29.686 29.700 0.054 0.000 0.738 1292 E HN 0.407 nan 8.360 nan 0.000 0.467 1293 E N -0.482 119.763 120.200 0.076 0.000 2.072 1293 E HA -0.097 4.254 4.350 0.001 0.000 0.190 1293 E C 2.203 178.824 176.600 0.034 0.000 0.982 1293 E CA 0.955 57.379 56.400 0.040 0.000 0.803 1293 E CB -0.118 29.587 29.700 0.009 0.000 0.755 1293 E HN 0.323 nan 8.360 nan 0.000 0.453 1294 L N 0.747 121.989 121.223 0.032 0.000 2.141 1294 L HA -0.157 4.184 4.340 0.001 0.000 0.209 1294 L C 2.547 179.449 176.870 0.052 0.000 1.094 1294 L CA 0.285 55.064 54.840 -0.102 0.000 0.763 1294 L CB -0.300 41.491 42.059 -0.446 0.000 0.908 1294 L HN 0.182 nan 8.230 nan 0.000 0.437 1295 L N 0.131 121.532 121.223 0.297 0.000 2.056 1295 L HA -0.179 4.161 4.340 0.001 0.000 0.207 1295 L C 2.371 179.349 176.870 0.179 0.000 1.078 1295 L CA 1.774 56.826 54.840 0.353 0.000 0.749 1295 L CB -0.518 41.718 42.059 0.295 0.000 0.901 1295 L HN 0.197 nan 8.230 nan 0.000 0.433 1296 E N -1.172 119.096 120.200 0.112 0.000 2.153 1296 E HA -0.178 4.172 4.350 0.001 0.000 0.194 1296 E C 1.855 178.482 176.600 0.045 0.000 0.988 1296 E CA 1.563 58.002 56.400 0.065 0.000 0.811 1296 E CB -0.163 29.562 29.700 0.041 0.000 0.746 1296 E HN 0.565 nan 8.360 nan 0.000 0.466 1297 T N 0.463 115.042 114.554 0.041 0.000 2.821 1297 T HA -0.109 4.241 4.350 0.001 0.000 0.267 1297 T C 2.017 176.739 174.700 0.038 0.000 1.046 1297 T CA 1.480 63.590 62.100 0.017 0.000 1.139 1297 T CB -0.304 68.561 68.868 -0.004 0.000 0.871 1297 T HN 0.155 nan 8.240 nan 0.000 0.454 1298 T N 2.709 117.334 114.554 0.117 0.000 2.674 1298 T HA 0.019 4.369 4.350 0.001 0.000 0.265 1298 T C 2.001 176.765 174.700 0.108 0.000 1.039 1298 T CA 0.971 63.204 62.100 0.221 0.000 1.150 1298 T CB -0.564 68.507 68.868 0.338 0.000 0.864 1298 T HN 0.247 nan 8.240 nan 0.000 0.427 1299 L N 0.522 121.799 121.223 0.091 0.000 2.079 1299 L HA -0.154 4.186 4.340 0.001 0.000 0.210 1299 L C 2.651 179.505 176.870 -0.026 0.000 1.081 1299 L CA 1.433 56.298 54.840 0.042 0.000 0.752 1299 L CB -0.528 41.558 42.059 0.045 0.000 0.896 1299 L HN 0.259 nan 8.230 nan 0.000 0.433 1300 K N -0.579 119.793 120.400 -0.045 0.000 2.057 1300 K HA -0.112 4.209 4.320 0.001 0.000 0.206 1300 K C 2.113 178.611 176.600 -0.169 0.000 1.050 1300 K CA 1.062 57.300 56.287 -0.082 0.000 0.935 1300 K CB -0.126 32.337 32.500 -0.062 0.000 0.715 1300 K HN 0.198 nan 8.250 nan 0.000 0.439 1301 M N 1.008 120.429 119.600 -0.297 0.000 2.267 1301 M HA -0.111 4.370 4.480 0.001 0.000 0.263 1301 M C 0.237 176.223 176.300 -0.523 0.000 1.063 1301 M CA 1.284 56.236 55.300 -0.579 0.000 1.090 1301 M CB -0.875 30.931 32.600 -1.324 0.000 1.392 1301 M HN 0.101 nan 8.290 nan 0.000 0.422 1302 K N -0.886 119.321 120.400 -0.322 0.000 3.150 1302 K HA -0.209 4.111 4.320 0.001 0.000 0.267 1302 K C 0.471 177.011 176.600 -0.100 0.000 1.028 1302 K CA 0.013 56.212 56.287 -0.147 0.000 0.753 1302 K CB -2.212 30.226 32.500 -0.102 0.000 1.288 1302 K HN 0.226 nan 8.250 nan 0.000 0.473 1303 F N -0.144 119.828 119.950 0.036 0.000 2.095 1303 F HA -0.279 4.249 4.527 0.001 0.000 0.298 1303 F C 2.399 178.218 175.800 0.033 0.000 1.104 1303 F CA 1.406 59.429 58.000 0.038 0.000 1.232 1303 F CB -0.167 38.866 39.000 0.056 0.000 0.987 1303 F HN 0.360 nan 8.300 nan 0.000 0.475 1304 L N -0.029 121.324 121.223 0.217 0.000 2.005 1304 L HA -0.055 4.285 4.340 0.001 0.000 0.207 1304 L C 1.492 178.420 176.870 0.098 0.000 1.072 1304 L CA 1.198 56.117 54.840 0.131 0.000 0.744 1304 L CB -1.014 41.099 42.059 0.090 0.000 0.895 1304 L HN -0.137 nan 8.230 nan 0.000 0.433 1305 S N -0.079 115.664 115.700 0.071 0.000 2.589 1305 S HA 0.226 4.697 4.470 0.001 0.000 0.256 1305 S C -0.202 174.430 174.600 0.053 0.000 1.383 1305 S CA 0.002 58.232 58.200 0.050 0.000 0.983 1305 S CB 0.297 63.509 63.200 0.020 0.000 0.908 1305 S HN 0.317 nan 8.310 nan 0.000 0.572 1306 L N 1.477 122.720 121.223 0.033 0.000 2.381 1306 L HA 0.473 4.813 4.340 0.001 0.000 0.274 1306 L C -1.032 175.817 176.870 -0.035 0.000 0.988 1306 L CA -0.513 54.332 54.840 0.009 0.000 0.824 1306 L CB 1.782 43.846 42.059 0.009 0.000 1.263 1306 L HN 0.513 nan 8.230 nan 0.000 0.410 1307 D N 3.689 124.065 120.400 -0.041 0.000 2.343 1307 D HA 0.189 4.829 4.640 0.001 0.000 0.255 1307 D C 0.907 177.165 176.300 -0.070 0.000 1.187 1307 D CA 0.193 54.162 54.000 -0.052 0.000 0.875 1307 D CB 1.017 41.786 40.800 -0.052 0.000 1.136 1307 D HN 0.613 nan 8.370 nan 0.000 0.469 1308 L N 2.406 123.591 121.223 -0.063 0.000 2.209 1308 L HA -0.014 4.326 4.340 0.001 0.000 0.207 1308 L C 1.407 178.252 176.870 -0.043 0.000 1.094 1308 L CA 0.508 55.310 54.840 -0.063 0.000 0.790 1308 L CB -0.315 41.711 42.059 -0.056 0.000 0.932 1308 L HN 0.528 nan 8.230 nan 0.000 0.447 1309 Q N -0.108 119.671 119.800 -0.035 0.000 2.306 1309 Q HA 0.582 4.922 4.340 0.001 0.000 0.269 1309 Q C 0.261 176.244 176.000 -0.028 0.000 1.053 1309 Q CA 0.176 55.966 55.803 -0.021 0.000 0.879 1309 Q CB 2.489 31.220 28.738 -0.012 0.000 1.344 1309 Q HN 0.127 nan 8.270 nan 0.000 0.464 1310 G N 0.700 109.492 108.800 -0.014 0.000 2.709 1310 G HA2 -0.212 3.749 3.960 0.001 0.000 0.228 1310 G HA3 -0.212 3.749 3.960 0.001 0.000 0.228 1310 G C -1.276 173.612 174.900 -0.020 0.000 1.215 1310 G CA 0.120 45.209 45.100 -0.018 0.000 1.003 1310 G HN 0.844 nan 8.290 nan 0.000 0.584 1311 D N 1.058 121.424 120.400 -0.056 0.000 2.620 1311 D HA 0.547 5.188 4.640 0.001 0.000 0.252 1311 D C -1.611 174.568 176.300 -0.203 0.000 1.207 1311 D CA -1.491 52.455 54.000 -0.089 0.000 0.884 1311 D CB 2.075 42.845 40.800 -0.049 0.000 1.262 1311 D HN -0.020 nan 8.370 nan 0.000 0.552 1312 P HA -0.104 nan 4.420 nan 0.000 0.216 1312 P C 1.032 178.099 177.300 -0.389 0.000 1.153 1312 P CA 1.166 63.963 63.100 -0.505 0.000 0.858 1312 P CB 0.310 31.358 31.700 -1.087 0.000 0.789 1313 R N -0.517 119.684 120.500 -0.498 0.000 2.280 1313 R HA -0.023 4.318 4.340 0.001 0.000 0.207 1313 R C 1.590 177.807 176.300 -0.138 0.000 1.043 1313 R CA 0.743 56.624 56.100 -0.365 0.000 1.006 1313 R CB -0.311 29.736 30.300 -0.420 0.000 0.885 1313 R HN 0.379 nan 8.270 nan 0.000 0.467 1314 E N 0.062 120.189 120.200 -0.120 0.000 2.474 1314 E HA 0.095 4.445 4.350 0.001 0.000 0.195 1314 E C 0.042 176.616 176.600 -0.044 0.000 1.039 1314 E CA -0.192 56.171 56.400 -0.062 0.000 0.881 1314 E CB 0.657 30.324 29.700 -0.054 0.000 0.970 1314 E HN 0.116 nan 8.360 nan 0.000 0.486 1315 S N 0.824 116.497 115.700 -0.046 0.000 2.596 1315 S HA 0.254 4.725 4.470 0.001 0.000 0.262 1315 S C 0.122 174.733 174.600 0.019 0.000 1.218 1315 S CA -0.303 57.884 58.200 -0.021 0.000 0.998 1315 S CB 0.557 63.742 63.200 -0.025 0.000 1.060 1315 S HN 0.015 nan 8.310 nan 0.000 0.552 1316 Q N 0.598 120.427 119.800 0.048 0.000 2.821 1316 Q HA 0.260 4.601 4.340 0.001 0.000 0.217 1316 Q C -2.195 173.917 176.000 0.186 0.000 0.775 1316 Q CA -0.939 54.930 55.803 0.109 0.000 0.930 1316 Q CB 1.177 29.992 28.738 0.128 0.000 1.511 1316 Q HN 0.260 nan 8.270 nan 0.000 0.457 1317 P HA -0.096 nan 4.420 nan 0.000 0.213 1317 P C 0.015 177.431 177.300 0.194 0.000 1.170 1317 P CA 1.287 64.471 63.100 0.139 0.000 0.898 1317 P CB 0.487 32.212 31.700 0.041 0.000 0.787 1318 L N -5.128 116.124 121.223 0.048 0.000 2.852 1318 L HA 0.409 4.750 4.340 0.001 0.000 0.268 1318 L C -0.346 176.377 176.870 -0.246 0.000 1.033 1318 L CA -0.899 53.807 54.840 -0.224 0.000 1.029 1318 L CB -0.123 41.797 42.059 -0.231 0.000 1.598 1318 L HN -0.299 nan 8.230 nan 0.000 0.358 1319 L N 0.851 121.872 121.223 -0.336 0.000 3.100 1319 L HA 0.639 4.980 4.340 0.001 0.000 0.259 1319 L C 0.975 177.712 176.870 -0.222 0.000 1.316 1319 L CA -0.291 54.435 54.840 -0.190 0.000 0.992 1319 L CB -0.086 41.913 42.059 -0.099 0.000 1.390 1319 L HN 0.881 nan 8.230 nan 0.000 0.550 1320 G N 0.491 109.122 108.800 -0.282 0.000 2.332 1320 G HA2 0.019 3.979 3.960 0.001 0.000 0.311 1320 G HA3 0.019 3.979 3.960 0.001 0.000 0.311 1320 G C 0.186 174.939 174.900 -0.245 0.000 1.392 1320 G CA -0.197 44.672 45.100 -0.385 0.000 1.110 1320 G HN 0.276 nan 8.290 nan 0.000 0.594 1321 T N -0.158 114.315 114.554 -0.135 0.000 2.930 1321 T HA 0.391 4.742 4.350 0.001 0.000 0.306 1321 T C 0.554 175.249 174.700 -0.009 0.000 1.045 1321 T CA 0.264 62.408 62.100 0.073 0.000 1.134 1321 T CB 1.120 70.047 68.868 0.097 0.000 0.961 1321 T HN 0.990 nan 8.240 nan 0.000 0.545 1322 V N -0.154 119.759 119.914 -0.001 0.000 3.164 1322 V HA 0.649 4.770 4.120 0.001 0.000 0.313 1322 V C -0.745 175.305 176.094 -0.073 0.000 1.188 1322 V CA -1.283 60.981 62.300 -0.061 0.000 1.058 1322 V CB 1.758 33.526 31.823 -0.092 0.000 1.110 1322 V HN 0.622 nan 8.190 nan 0.000 0.453 1323 I N 3.213 123.733 120.570 -0.083 0.000 2.316 1323 I HA 0.305 4.476 4.170 0.001 0.000 0.286 1323 I C 0.774 176.840 176.117 -0.085 0.000 1.107 1323 I CA -0.117 61.134 61.300 -0.083 0.000 1.219 1323 I CB -0.223 37.731 38.000 -0.076 0.000 1.455 1323 I HN 0.953 nan 8.210 nan 0.000 0.498 1324 D N 3.396 123.740 120.400 -0.094 0.000 2.234 1324 D HA -0.052 4.589 4.640 0.001 0.000 0.205 1324 D C 1.447 177.705 176.300 -0.070 0.000 0.962 1324 D CA 1.148 55.088 54.000 -0.100 0.000 0.855 1324 D CB 0.264 40.983 40.800 -0.135 0.000 0.951 1324 D HN 0.651 nan 8.370 nan 0.000 0.500 1325 G N -0.467 108.295 108.800 -0.062 0.000 2.157 1325 G HA2 -0.248 3.713 3.960 0.001 0.000 0.239 1325 G HA3 -0.248 3.713 3.960 0.001 0.000 0.239 1325 G C 0.760 175.639 174.900 -0.035 0.000 0.982 1325 G CA 0.620 45.692 45.100 -0.047 0.000 0.650 1325 G HN 0.281 nan 8.290 nan 0.000 0.527 1326 M N -1.655 117.922 119.600 -0.038 0.000 2.893 1326 M HA 0.404 4.885 4.480 0.001 0.000 0.201 1326 M C 2.149 178.435 176.300 -0.024 0.000 1.926 1326 M CA 0.746 56.036 55.300 -0.017 0.000 1.302 1326 M CB -1.189 31.411 32.600 -0.000 0.000 1.249 1326 M HN 0.201 nan 8.290 nan 0.000 0.599 1327 L N 1.248 122.450 121.223 -0.034 0.000 2.027 1327 L HA 0.110 4.451 4.340 0.001 0.000 0.206 1327 L C 0.328 177.145 176.870 -0.088 0.000 1.074 1327 L CA 1.613 56.425 54.840 -0.046 0.000 0.745 1327 L CB 0.107 42.140 42.059 -0.043 0.000 0.898 1327 L HN 0.174 nan 8.230 nan 0.000 0.433 1328 L N -0.247 120.918 121.223 -0.096 0.000 2.376 1328 L HA 0.236 4.577 4.340 0.001 0.000 0.275 1328 L C 0.420 177.233 176.870 -0.095 0.000 0.987 1328 L CA -0.425 54.345 54.840 -0.116 0.000 0.828 1328 L CB 1.877 43.860 42.059 -0.127 0.000 1.249 1328 L HN 0.054 nan 8.230 nan 0.000 0.409 1329 L N 2.515 123.680 121.223 -0.097 0.000 2.395 1329 L HA 0.071 4.412 4.340 0.001 0.000 0.218 1329 L C 0.604 177.431 176.870 -0.072 0.000 1.130 1329 L CA 0.846 55.640 54.840 -0.075 0.000 0.826 1329 L CB -0.401 41.616 42.059 -0.071 0.000 0.941 1329 L HN 0.647 nan 8.230 nan 0.000 0.451 1330 K N -1.793 118.557 120.400 -0.083 0.000 2.617 1330 K HA 0.325 4.646 4.320 0.001 0.000 0.293 1330 K C -0.495 176.054 176.600 -0.084 0.000 1.034 1330 K CA -0.786 55.456 56.287 -0.074 0.000 0.884 1330 K CB 0.559 33.021 32.500 -0.064 0.000 1.541 1330 K HN -0.146 nan 8.250 nan 0.000 0.409 1331 T N -1.684 112.824 114.554 -0.076 0.000 2.906 1331 T HA 0.076 4.427 4.350 0.001 0.000 0.320 1331 T C -1.859 172.789 174.700 -0.086 0.000 1.088 1331 T CA -0.698 61.353 62.100 -0.082 0.000 1.120 1331 T CB 0.248 69.070 68.868 -0.076 0.000 1.000 1331 T HN 0.333 nan 8.240 nan 0.000 0.550 1332 P HA -0.071 nan 4.420 nan 0.000 0.218 1332 P C 1.277 178.536 177.300 -0.068 0.000 1.148 1332 P CA 0.936 63.984 63.100 -0.087 0.000 0.822 1332 P CB 0.075 31.720 31.700 -0.092 0.000 0.784 1333 E N -0.082 120.076 120.200 -0.070 0.000 2.031 1333 E HA -0.190 4.160 4.350 0.001 0.000 0.193 1333 E C 1.940 178.513 176.600 -0.045 0.000 0.994 1333 E CA 1.337 57.703 56.400 -0.058 0.000 0.800 1333 E CB -0.854 28.806 29.700 -0.067 0.000 0.752 1333 E HN 0.406 nan 8.360 nan 0.000 0.447 1334 E N 0.249 120.419 120.200 -0.050 0.000 2.077 1334 E HA -0.138 4.213 4.350 0.001 0.000 0.193 1334 E C 2.175 178.748 176.600 -0.045 0.000 0.989 1334 E CA 0.788 57.162 56.400 -0.043 0.000 0.800 1334 E CB -0.161 29.510 29.700 -0.047 0.000 0.746 1334 E HN 0.186 nan 8.360 nan 0.000 0.452 1335 L N 1.113 122.299 121.223 -0.062 0.000 2.046 1335 L HA -0.229 4.112 4.340 0.001 0.000 0.208 1335 L C 2.771 179.611 176.870 -0.050 0.000 1.077 1335 L CA 1.439 56.233 54.840 -0.076 0.000 0.747 1335 L CB -0.502 41.487 42.059 -0.116 0.000 0.896 1335 L HN 0.222 nan 8.230 nan 0.000 0.432 1336 Q N -0.067 119.715 119.800 -0.030 0.000 2.488 1336 Q HA -0.058 4.283 4.340 0.001 0.000 0.211 1336 Q C 1.885 177.891 176.000 0.010 0.000 0.967 1336 Q CA 1.005 56.811 55.803 0.005 0.000 0.926 1336 Q CB -0.158 28.593 28.738 0.022 0.000 0.992 1336 Q HN 0.397 nan 8.270 nan 0.000 0.506 1337 A N 1.545 124.363 122.820 -0.004 0.000 2.167 1337 A HA -0.069 4.251 4.320 0.001 0.000 0.214 1337 A C 0.747 178.333 177.584 0.004 0.000 1.151 1337 A CA 0.531 52.568 52.037 0.001 0.000 0.735 1337 A CB -0.258 18.737 19.000 -0.007 0.000 0.802 1337 A HN 0.668 nan 8.150 nan 0.000 0.467 1338 E N -1.099 119.102 120.200 0.002 0.000 2.202 1338 E HA 0.602 4.952 4.350 0.001 0.000 0.272 1338 E C -0.872 175.742 176.600 0.024 0.000 0.951 1338 E CA -1.016 55.390 56.400 0.010 0.000 0.813 1338 E CB 0.884 30.585 29.700 0.003 0.000 1.151 1338 E HN 0.002 nan 8.360 nan 0.000 0.398 1339 R N 1.798 122.315 120.500 0.028 0.000 2.935 1339 R HA 0.270 4.610 4.340 0.001 0.000 0.354 1339 R C -1.191 175.141 176.300 0.053 0.000 1.206 1339 R CA -0.388 55.732 56.100 0.034 0.000 1.082 1339 R CB -0.129 30.181 30.300 0.016 0.000 1.431 1339 R HN 0.453 nan 8.270 nan 0.000 0.582 1340 N N 0.736 119.485 118.700 0.082 0.000 2.851 1340 N HA 0.405 5.146 4.740 0.001 0.000 0.248 1340 N C -1.482 174.167 175.510 0.231 0.000 1.221 1340 N CA -0.367 52.745 53.050 0.105 0.000 0.847 1340 N CB 0.754 39.283 38.487 0.069 0.000 1.150 1340 N HN 0.055 nan 8.380 nan 0.000 0.507 1341 F N -0.443 119.508 119.950 0.002 0.000 2.952 1341 F HA 0.178 4.706 4.527 0.001 0.000 0.329 1341 F C -1.088 174.748 175.800 0.059 0.000 1.137 1341 F CA -0.884 57.128 58.000 0.021 0.000 0.889 1341 F CB 0.880 39.891 39.000 0.019 0.000 1.335 1341 F HN 0.273 nan 8.300 nan 0.000 0.449 1342 H N 2.023 120.452 119.070 -1.070 0.000 3.026 1342 H HA 0.374 4.931 4.556 0.001 0.000 0.289 1342 H C -0.357 174.741 175.328 -0.385 0.000 1.022 1342 H CA 0.655 56.266 56.048 -0.730 0.000 1.477 1342 H CB 0.618 29.815 29.762 -0.943 0.000 1.510 1342 H HN 0.602 nan 8.280 nan 0.000 0.535 1343 T N 3.012 117.516 114.554 -0.082 0.000 2.744 1343 T HA 0.445 4.796 4.350 0.001 0.000 0.291 1343 T C 0.042 174.660 174.700 -0.137 0.000 0.957 1343 T CA -0.798 61.252 62.100 -0.083 0.000 1.002 1343 T CB 0.973 69.806 68.868 -0.058 0.000 0.919 1343 T HN 0.373 nan 8.240 nan 0.000 0.468 1344 V N 0.250 120.134 119.914 -0.049 0.000 2.914 1344 V HA 0.767 4.887 4.120 0.001 0.000 0.314 1344 V C -3.114 173.112 176.094 0.219 0.000 1.084 1344 V CA -3.443 58.833 62.300 -0.039 0.000 0.963 1344 V CB 1.507 33.206 31.823 -0.207 0.000 1.025 1344 V HN 0.589 nan 8.190 nan 0.000 0.432 1345 P HA 0.129 nan 4.420 nan 0.000 0.261 1345 P C -1.412 176.168 177.300 0.466 0.000 1.183 1345 P CA 0.722 64.012 63.100 0.317 0.000 0.761 1345 P CB -0.218 31.520 31.700 0.064 0.000 0.785 1346 Y N 3.941 124.351 120.300 0.184 0.000 2.361 1346 Y HA 0.537 5.087 4.550 0.001 0.000 0.337 1346 Y C -0.640 175.172 175.900 -0.146 0.000 0.965 1346 Y CA -1.522 56.529 58.100 -0.082 0.000 1.091 1346 Y CB 1.486 39.527 38.460 -0.697 0.000 1.182 1346 Y HN 0.199 nan 8.280 nan 0.000 0.450 1347 M N 8.088 127.625 119.600 -0.105 0.000 2.114 1347 M HA 0.506 4.987 4.480 0.001 0.000 0.332 1347 M C -2.198 173.818 176.300 -0.474 0.000 1.014 1347 M CA -0.717 54.282 55.300 -0.501 0.000 0.956 1347 M CB 0.921 32.925 32.600 -0.993 0.000 1.551 1347 M HN 0.442 nan 8.290 nan 0.000 0.427 1348 V N 4.694 124.279 119.914 -0.549 0.000 2.417 1348 V HA 0.876 4.997 4.120 0.001 0.000 0.291 1348 V C 0.374 176.184 176.094 -0.474 0.000 1.024 1348 V CA -0.537 61.453 62.300 -0.517 0.000 0.861 1348 V CB 1.298 32.732 31.823 -0.648 0.000 0.985 1348 V HN 0.997 nan 8.190 nan 0.000 0.436 1349 G N 3.822 112.285 108.800 -0.561 0.000 2.733 1349 G HA2 0.922 4.882 3.960 0.001 0.000 0.288 1349 G HA3 0.922 4.882 3.960 0.001 0.000 0.288 1349 G C -1.115 173.400 174.900 -0.642 0.000 1.373 1349 G CA -0.645 43.731 45.100 -1.207 0.000 0.895 1349 G HN 0.919 nan 8.290 nan 0.000 0.479 1350 I N -3.063 117.190 120.570 -0.527 0.000 3.458 1350 I HA 0.673 4.843 4.170 0.001 0.000 0.316 1350 I C -1.507 174.659 176.117 0.082 0.000 1.202 1350 I CA -1.370 59.858 61.300 -0.120 0.000 0.929 1350 I CB 2.259 40.224 38.000 -0.059 0.000 1.340 1350 I HN 0.302 nan 8.210 nan 0.000 0.481 1351 N N 0.951 119.720 118.700 0.115 0.000 2.402 1351 N HA 0.374 5.114 4.740 0.001 0.000 0.294 1351 N C 0.115 175.726 175.510 0.169 0.000 1.203 1351 N CA -0.759 52.424 53.050 0.221 0.000 0.838 1351 N CB 1.796 40.418 38.487 0.225 0.000 1.306 1351 N HN 0.593 nan 8.380 nan 0.000 0.510 1352 K N 0.384 120.896 120.400 0.187 0.000 2.057 1352 K HA -0.029 4.291 4.320 0.001 0.000 0.207 1352 K C -0.154 176.530 176.600 0.140 0.000 1.049 1352 K CA 1.821 58.193 56.287 0.143 0.000 0.931 1352 K CB 0.094 32.666 32.500 0.119 0.000 0.714 1352 K HN 0.534 nan 8.250 nan 0.000 0.440 1353 Q N 0.195 120.088 119.800 0.155 0.000 3.122 1353 Q HA 0.124 4.464 4.340 0.001 0.000 0.282 1353 Q C -0.286 175.819 176.000 0.174 0.000 0.947 1353 Q CA -0.308 55.594 55.803 0.165 0.000 0.812 1353 Q CB 1.458 30.291 28.738 0.158 0.000 1.333 1353 Q HN 0.130 nan 8.270 nan 0.000 0.430 1354 E N 0.214 120.501 120.200 0.145 0.000 2.130 1354 E HA -0.184 4.167 4.350 0.001 0.000 0.196 1354 E C 0.363 177.059 176.600 0.161 0.000 0.998 1354 E CA 1.274 57.709 56.400 0.059 0.000 0.806 1354 E CB 0.174 29.784 29.700 -0.150 0.000 0.738 1354 E HN 0.462 nan 8.360 nan 0.000 0.459 1355 F N 0.201 120.179 119.950 0.046 0.000 2.850 1355 F HA 0.290 4.817 4.527 0.001 0.000 0.306 1355 F C 1.618 177.443 175.800 0.043 0.000 1.162 1355 F CA -0.320 57.685 58.000 0.008 0.000 1.327 1355 F CB 0.554 39.532 39.000 -0.037 0.000 0.953 1355 F HN -0.079 nan 8.300 nan 0.000 0.507 1356 G N 0.047 108.931 108.800 0.140 0.000 2.394 1356 G HA2 -0.255 3.706 3.960 0.001 0.000 0.215 1356 G HA3 -0.255 3.706 3.960 0.001 0.000 0.215 1356 G C 1.026 176.048 174.900 0.203 0.000 1.165 1356 G CA 1.230 46.431 45.100 0.168 0.000 0.784 1356 G HN 0.629 nan 8.290 nan 0.000 0.535 1357 W N -1.456 119.803 121.300 -0.070 0.000 5.233 1357 W HA 0.285 4.946 4.660 0.001 0.000 0.164 1357 W C 1.718 178.173 176.519 -0.108 0.000 1.120 1357 W CA 0.152 57.452 57.345 -0.074 0.000 1.836 1357 W CB -0.559 28.900 29.460 -0.002 0.000 0.544 1357 W HN 0.020 nan 8.180 nan 0.000 1.083 1358 L N 2.113 123.332 121.223 -0.007 0.000 1.965 1358 L HA -0.232 4.109 4.340 0.001 0.000 0.226 1358 L C 2.202 178.842 176.870 -0.383 0.000 1.083 1358 L CA 3.153 57.862 54.840 -0.218 0.000 0.790 1358 L CB -1.244 40.938 42.059 0.204 0.000 0.898 1358 L HN 0.206 nan 8.230 nan 0.000 0.439 1359 I N -0.794 119.579 120.570 -0.328 0.000 2.127 1359 I HA -0.248 3.923 4.170 0.001 0.000 0.241 1359 I C -0.256 175.534 176.117 -0.546 0.000 1.075 1359 I CA 1.556 62.626 61.300 -0.383 0.000 1.334 1359 I CB -1.840 35.948 38.000 -0.353 0.000 1.040 1359 I HN 0.286 nan 8.210 nan 0.000 0.405 1360 P HA -0.201 nan 4.420 nan 0.000 0.215 1360 P C 1.169 178.247 177.300 -0.371 0.000 1.163 1360 P CA 1.307 63.947 63.100 -0.768 0.000 0.894 1360 P CB -0.074 31.146 31.700 -0.800 0.000 0.791 1364 M N -0.357 119.226 119.600 -0.028 0.000 2.414 1364 M HA 0.244 4.725 4.480 0.001 0.000 0.251 1364 M C 0.124 176.496 176.300 0.120 0.000 1.116 1364 M CA 0.259 55.611 55.300 0.087 0.000 1.056 1364 M CB 0.813 33.534 32.600 0.202 0.000 1.388 1364 M HN 0.158 nan 8.290 nan 0.000 0.487 1365 S N 0.733 116.484 115.700 0.086 0.000 3.734 1365 S HA -0.150 4.321 4.470 0.001 0.000 0.531 1365 S C -0.953 173.747 174.600 0.166 0.000 0.757 1365 S CA 0.032 58.282 58.200 0.083 0.000 1.388 1365 S CB -1.650 61.572 63.200 0.036 0.000 0.878 1365 S HN 0.375 nan 8.310 nan 0.000 0.735 1366 Y N 1.857 122.159 120.300 0.004 0.000 2.308 1366 Y HA 0.378 4.929 4.550 0.001 0.000 0.329 1366 Y C -1.234 174.704 175.900 0.064 0.000 1.111 1366 Y CA -1.823 56.317 58.100 0.065 0.000 1.179 1366 Y CB 0.674 39.204 38.460 0.116 0.000 1.201 1366 Y HN 0.196 nan 8.280 nan 0.000 0.483 1367 P HA -0.055 nan 4.420 nan 0.000 0.240 1367 P C 0.263 177.627 177.300 0.107 0.000 1.186 1367 P CA 1.041 64.175 63.100 0.057 0.000 0.755 1367 P CB -0.028 31.667 31.700 -0.009 0.000 0.870 1368 L N -0.343 120.996 121.223 0.192 0.000 2.873 1368 L HA 0.036 4.376 4.340 0.001 0.000 0.252 1368 L C 1.238 178.192 176.870 0.139 0.000 1.266 1368 L CA 0.213 55.163 54.840 0.183 0.000 1.111 1368 L CB -0.865 41.355 42.059 0.268 0.000 1.440 1368 L HN 0.077 nan 8.230 nan 0.000 0.427 1369 S N -2.408 113.356 115.700 0.106 0.000 2.754 1369 S HA 0.051 4.522 4.470 0.001 0.000 0.223 1369 S C 0.972 175.616 174.600 0.073 0.000 0.951 1369 S CA -0.102 58.151 58.200 0.088 0.000 0.954 1369 S CB -0.104 63.139 63.200 0.071 0.000 0.780 1369 S HN 0.555 nan 8.310 nan 0.000 0.509 1370 E N 0.250 120.494 120.200 0.073 0.000 2.601 1370 E HA 0.254 4.604 4.350 0.001 0.000 0.219 1370 E C 1.140 177.779 176.600 0.064 0.000 0.964 1370 E CA 0.066 56.501 56.400 0.058 0.000 1.050 1370 E CB 0.418 30.145 29.700 0.045 0.000 1.068 1370 E HN 0.581 nan 8.360 nan 0.000 0.496 1371 G N 2.883 111.733 108.800 0.083 0.000 2.200 1371 G HA2 -0.345 3.616 3.960 0.001 0.000 0.267 1371 G HA3 -0.345 3.616 3.960 0.001 0.000 0.267 1371 G C 0.182 175.130 174.900 0.080 0.000 0.993 1371 G CA 1.436 46.589 45.100 0.089 0.000 0.701 1371 G HN 0.415 nan 8.290 nan 0.000 0.524 1372 Q N -1.724 118.117 119.800 0.069 0.000 2.389 1372 Q HA 0.872 5.212 4.340 0.001 0.000 0.277 1372 Q C -1.483 174.541 176.000 0.040 0.000 1.082 1372 Q CA -1.378 54.458 55.803 0.055 0.000 0.810 1372 Q CB 2.664 31.426 28.738 0.040 0.000 1.374 1372 Q HN 0.522 nan 8.270 nan 0.000 0.422 1373 L N 1.992 123.232 121.223 0.028 0.000 2.526 1373 L HA 0.405 4.745 4.340 0.001 0.000 0.263 1373 L C -1.799 175.061 176.870 -0.016 0.000 0.943 1373 L CA -0.123 54.707 54.840 -0.016 0.000 0.859 1373 L CB 2.250 44.274 42.059 -0.059 0.000 1.313 1373 L HN 0.898 nan 8.230 nan 0.000 0.406 1374 D N 2.900 123.281 120.400 -0.031 0.000 2.326 1374 D HA 0.186 4.827 4.640 0.001 0.000 0.251 1374 D C 0.017 176.301 176.300 -0.028 0.000 1.023 1374 D CA -0.556 53.434 54.000 -0.016 0.000 0.966 1374 D CB 1.184 41.978 40.800 -0.009 0.000 1.156 1374 D HN 0.478 nan 8.370 nan 0.000 0.494 1375 Q N -0.120 119.677 119.800 -0.004 0.000 2.297 1375 Q HA -0.146 4.194 4.340 0.001 0.000 0.208 1375 Q C 1.363 177.361 176.000 -0.004 0.000 0.981 1375 Q CA 1.355 57.162 55.803 0.006 0.000 0.876 1375 Q CB 0.037 28.785 28.738 0.017 0.000 0.921 1375 Q HN 0.509 nan 8.270 nan 0.000 0.446 1376 K N -1.038 119.354 120.400 -0.013 0.000 2.244 1376 K HA 0.052 4.372 4.320 0.001 0.000 0.200 1376 K C 2.046 178.633 176.600 -0.022 0.000 1.052 1376 K CA 0.867 57.147 56.287 -0.012 0.000 0.980 1376 K CB 0.335 32.831 32.500 -0.007 0.000 0.838 1376 K HN 0.015 nan 8.250 nan 0.000 0.481 1377 T N 1.179 115.708 114.554 -0.042 0.000 2.904 1377 T HA -0.041 4.310 4.350 0.001 0.000 0.267 1377 T C 1.931 176.560 174.700 -0.119 0.000 1.059 1377 T CA 1.098 63.163 62.100 -0.059 0.000 1.137 1377 T CB -0.058 68.774 68.868 -0.060 0.000 0.879 1377 T HN 0.237 nan 8.240 nan 0.000 0.467 1378 A N 1.814 124.524 122.820 -0.183 0.000 1.873 1378 A HA 0.035 4.355 4.320 0.001 0.000 0.215 1378 A C 2.288 179.802 177.584 -0.117 0.000 1.186 1378 A CA 1.178 52.990 52.037 -0.376 0.000 0.616 1378 A CB -0.660 18.119 19.000 -0.370 0.000 0.823 1378 A HN 0.416 nan 8.150 nan 0.000 0.442 1379 M N -0.385 119.215 119.600 0.000 0.000 2.346 1379 M HA -0.126 4.354 4.480 0.001 0.000 0.263 1379 M C 2.365 178.744 176.300 0.131 0.000 1.064 1379 M CA 1.507 56.859 55.300 0.087 0.000 1.083 1379 M CB -0.306 32.323 32.600 0.048 0.000 1.399 1379 M HN 0.556 nan 8.290 nan 0.000 0.435 1380 S N 0.668 116.420 115.700 0.087 0.000 2.362 1380 S HA 0.012 4.483 4.470 0.001 0.000 0.221 1380 S C 1.762 176.467 174.600 0.175 0.000 1.032 1380 S CA 0.559 58.840 58.200 0.136 0.000 0.973 1380 S CB 0.009 63.248 63.200 0.066 0.000 0.849 1380 S HN 0.413 nan 8.310 nan 0.000 0.465 1381 L N 0.883 122.166 121.223 0.101 0.000 2.017 1381 L HA -0.069 4.272 4.340 0.001 0.000 0.208 1381 L C 2.479 179.542 176.870 0.322 0.000 1.073 1381 L CA 1.052 55.981 54.840 0.148 0.000 0.745 1381 L CB -0.468 41.651 42.059 0.099 0.000 0.894 1381 L HN 0.358 nan 8.230 nan 0.000 0.432 1382 L N -0.550 120.941 121.223 0.446 0.000 2.043 1382 L HA -0.304 4.036 4.340 0.001 0.000 0.212 1382 L C 2.209 179.322 176.870 0.404 0.000 1.075 1382 L CA 1.935 57.053 54.840 0.463 0.000 0.752 1382 L CB -0.706 41.633 42.059 0.468 0.000 0.891 1382 L HN 0.375 nan 8.230 nan 0.000 0.432 1383 W N 0.551 121.953 121.300 0.170 0.000 2.355 1383 W HA -0.254 4.406 4.660 0.001 0.000 0.309 1383 W C 2.161 178.769 176.519 0.149 0.000 1.206 1383 W CA 1.383 58.818 57.345 0.151 0.000 1.284 1383 W CB 0.022 29.536 29.460 0.090 0.000 1.145 1383 W HN 0.114 nan 8.180 nan 0.000 0.502 1384 K N 0.219 120.649 120.400 0.051 0.000 2.360 1384 K HA -0.083 4.237 4.320 0.001 0.000 0.201 1384 K C 1.471 178.033 176.600 -0.063 0.000 1.046 1384 K CA 1.243 57.460 56.287 -0.117 0.000 0.945 1384 K CB -0.212 32.258 32.500 -0.051 0.000 0.750 1384 K HN -0.070 nan 8.250 nan 0.000 0.464 1385 S N 0.424 116.159 115.700 0.059 0.000 2.622 1385 S HA 0.030 4.501 4.470 0.001 0.000 0.236 1385 S C 0.800 175.429 174.600 0.049 0.000 0.956 1385 S CA -0.471 57.787 58.200 0.097 0.000 0.971 1385 S CB -0.219 63.109 63.200 0.214 0.000 0.782 1385 S HN 0.306 nan 8.310 nan 0.000 0.468 1386 Y N 4.102 124.322 120.300 -0.134 0.000 2.102 1386 Y HA -0.139 4.411 4.550 0.000 0.000 0.280 1386 Y C -0.889 174.951 175.900 -0.100 0.000 1.178 1386 Y CA 1.730 59.742 58.100 -0.147 0.000 1.146 1386 Y CB -1.048 37.175 38.460 -0.395 0.000 0.968 1386 Y HN 0.250 nan 8.280 nan 0.000 0.504 1387 P HA -0.128 nan 4.420 nan 0.000 0.236 1387 P C 0.972 178.192 177.300 -0.132 0.000 1.172 1387 P CA 1.480 64.534 63.100 -0.077 0.000 0.759 1387 P CB -0.038 31.673 31.700 0.018 0.000 0.843 1388 L N -1.113 120.025 121.223 -0.141 0.000 2.577 1388 L HA 0.066 4.406 4.340 0.001 0.000 0.225 1388 L C 2.259 178.975 176.870 -0.257 0.000 1.053 1388 L CA 0.386 55.131 54.840 -0.158 0.000 0.866 1388 L CB 0.206 42.223 42.059 -0.071 0.000 1.132 1388 L HN -0.169 nan 8.230 nan 0.000 0.486 1389 V N -6.045 113.712 119.914 -0.262 0.000 3.455 1389 V HA 0.153 4.273 4.120 0.001 0.000 0.250 1389 V C 0.964 176.897 176.094 -0.267 0.000 1.230 1389 V CA -0.524 61.614 62.300 -0.269 0.000 1.105 1389 V CB 0.043 31.747 31.823 -0.198 0.000 0.850 1389 V HN 0.374 nan 8.190 nan 0.000 0.461 1390 C N 1.844 120.858 119.300 -0.476 0.000 3.630 1390 C HA -0.132 4.328 4.460 0.001 0.000 0.297 1390 C C 0.154 175.067 174.990 -0.128 0.000 1.219 1390 C CA 0.077 58.668 59.018 -0.712 0.000 2.284 1390 C CB -3.030 24.420 27.740 -0.483 0.000 1.430 1390 C HN 0.642 nan 8.230 nan 0.000 0.573 1391 I N 0.837 121.466 120.570 0.099 0.000 2.447 1391 I HA 0.562 4.733 4.170 0.001 0.000 0.287 1391 I C 0.786 177.245 176.117 0.571 0.000 1.023 1391 I CA -0.304 61.228 61.300 0.386 0.000 1.083 1391 I CB 1.478 39.650 38.000 0.287 0.000 1.245 1391 I HN 0.548 nan 8.210 nan 0.000 0.434 1392 A N 5.597 128.687 122.820 0.450 0.000 2.565 1392 A HA 0.009 4.330 4.320 0.001 0.000 0.237 1392 A C 1.419 179.107 177.584 0.173 0.000 1.053 1392 A CA 0.151 52.400 52.037 0.353 0.000 0.755 1392 A CB 0.164 19.283 19.000 0.200 0.000 0.980 1392 A HN 0.947 nan 8.150 nan 0.000 0.506 1393 K N 1.185 121.517 120.400 -0.115 0.000 2.281 1393 K HA -0.180 4.141 4.320 0.001 0.000 0.203 1393 K C 1.700 178.138 176.600 -0.270 0.000 1.046 1393 K CA 1.773 57.739 56.287 -0.535 0.000 0.938 1393 K CB 0.039 31.675 32.500 -1.440 0.000 0.737 1393 K HN 0.904 nan 8.250 nan 0.000 0.458 1394 E N 0.581 120.688 120.200 -0.155 0.000 2.274 1394 E HA -0.176 4.175 4.350 0.001 0.000 0.194 1394 E C 1.655 178.221 176.600 -0.056 0.000 0.996 1394 E CA 0.815 57.154 56.400 -0.100 0.000 0.840 1394 E CB -0.118 29.544 29.700 -0.064 0.000 0.772 1394 E HN 0.400 nan 8.360 nan 0.000 0.491 1395 L N 0.323 121.531 121.223 -0.026 0.000 2.416 1395 L HA 0.021 4.362 4.340 0.001 0.000 0.216 1395 L C 2.426 179.301 176.870 0.009 0.000 1.098 1395 L CA -0.163 54.665 54.840 -0.020 0.000 0.840 1395 L CB -0.264 41.775 42.059 -0.032 0.000 0.981 1395 L HN 0.002 nan 8.230 nan 0.000 0.462 1396 I N 1.088 121.679 120.570 0.036 0.000 2.091 1396 I HA -0.242 3.929 4.170 0.001 0.000 0.240 1396 I C 0.082 176.236 176.117 0.062 0.000 1.046 1396 I CA 2.263 63.613 61.300 0.083 0.000 1.306 1396 I CB -2.444 35.599 38.000 0.072 0.000 1.018 1396 I HN 0.159 nan 8.210 nan 0.000 0.404 1397 P HA -0.200 nan 4.420 nan 0.000 0.215 1397 P C 1.754 179.073 177.300 0.031 0.000 1.157 1397 P CA 1.681 64.792 63.100 0.019 0.000 0.874 1397 P CB -0.035 31.660 31.700 -0.010 0.000 0.790 1398 E N -0.562 119.651 120.200 0.021 0.000 2.012 1398 E HA -0.236 4.115 4.350 0.001 0.000 0.197 1398 E C 2.018 178.661 176.600 0.072 0.000 1.007 1398 E CA 1.418 57.838 56.400 0.032 0.000 0.816 1398 E CB -0.640 29.063 29.700 0.005 0.000 0.762 1398 E HN 0.030 nan 8.360 nan 0.000 0.451 1399 A N 0.344 123.208 122.820 0.073 0.000 1.892 1399 A HA -0.237 4.084 4.320 0.001 0.000 0.218 1399 A C 2.413 180.057 177.584 0.099 0.000 1.188 1399 A CA 2.500 54.590 52.037 0.089 0.000 0.631 1399 A CB -1.278 17.761 19.000 0.065 0.000 0.822 1399 A HN 0.417 nan 8.150 nan 0.000 0.447 1400 T N -0.303 114.323 114.554 0.119 0.000 2.778 1400 T HA -0.174 4.176 4.350 0.001 0.000 0.269 1400 T C 1.856 176.634 174.700 0.130 0.000 1.050 1400 T CA 1.497 63.687 62.100 0.149 0.000 1.137 1400 T CB -0.220 68.728 68.868 0.134 0.000 0.860 1400 T HN 0.621 nan 8.240 nan 0.000 0.468 1401 E N 1.461 121.710 120.200 0.081 0.000 2.028 1401 E HA -0.136 4.215 4.350 0.001 0.000 0.190 1401 E C 2.226 178.838 176.600 0.020 0.000 0.984 1401 E CA 1.176 57.604 56.400 0.046 0.000 0.800 1401 E CB -0.213 29.500 29.700 0.023 0.000 0.758 1401 E HN 0.205 nan 8.360 nan 0.000 0.448 1402 K N -0.395 119.989 120.400 -0.026 0.000 2.228 1402 K HA -0.191 4.130 4.320 0.001 0.000 0.205 1402 K C 1.634 178.143 176.600 -0.152 0.000 1.045 1402 K CA 1.453 57.621 56.287 -0.198 0.000 0.931 1402 K CB -0.338 31.812 32.500 -0.583 0.000 0.727 1402 K HN 0.207 nan 8.250 nan 0.000 0.458 1403 Y N -1.311 118.901 120.300 -0.148 0.000 2.506 1403 Y HA 0.248 4.799 4.550 0.001 0.000 0.287 1403 Y C 1.454 177.358 175.900 0.006 0.000 1.147 1403 Y CA 0.473 58.539 58.100 -0.057 0.000 1.241 1403 Y CB 0.374 38.852 38.460 0.030 0.000 1.279 1403 Y HN -0.129 nan 8.280 nan 0.000 0.527 1404 L N -1.274 120.066 121.223 0.195 0.000 2.640 1404 L HA 0.294 4.634 4.340 0.001 0.000 0.230 1404 L C 2.133 179.044 176.870 0.069 0.000 1.123 1404 L CA 0.543 55.464 54.840 0.134 0.000 0.900 1404 L CB -0.360 41.791 42.059 0.153 0.000 1.146 1404 L HN 0.190 nan 8.230 nan 0.000 0.484 1405 G N 0.482 109.308 108.800 0.043 0.000 2.586 1405 G HA2 -0.028 3.932 3.960 0.001 0.000 0.215 1405 G HA3 -0.028 3.932 3.960 0.001 0.000 0.215 1405 G C 1.103 176.005 174.900 0.003 0.000 1.128 1405 G CA 0.631 45.741 45.100 0.016 0.000 0.774 1405 G HN 0.440 nan 8.290 nan 0.000 0.543 1406 G N 0.429 109.231 108.800 0.003 0.000 3.197 1406 G HA2 0.286 4.246 3.960 0.001 0.000 0.167 1406 G HA3 0.286 4.246 3.960 0.001 0.000 0.167 1406 G C 0.897 175.802 174.900 0.008 0.000 1.914 1406 G CA 0.680 45.778 45.100 -0.004 0.000 0.956 1406 G HN 0.617 nan 8.290 nan 0.000 0.480 1407 T N -0.570 113.992 114.554 0.013 0.000 2.934 1407 T HA 0.042 4.393 4.350 0.001 0.000 0.321 1407 T C 0.226 174.939 174.700 0.022 0.000 1.080 1407 T CA 0.729 62.840 62.100 0.017 0.000 1.132 1407 T CB 0.642 69.523 68.868 0.023 0.000 1.039 1407 T HN 0.325 nan 8.240 nan 0.000 0.543 1408 D N 0.394 120.806 120.400 0.019 0.000 2.325 1408 D HA 0.079 4.720 4.640 0.001 0.000 0.225 1408 D C 0.013 176.326 176.300 0.023 0.000 1.096 1408 D CA -0.034 53.978 54.000 0.019 0.000 0.844 1408 D CB 0.066 40.874 40.800 0.013 0.000 0.925 1408 D HN 0.696 nan 8.370 nan 0.000 0.513 1409 D N 1.156 121.572 120.400 0.027 0.000 2.339 1409 D HA -0.005 4.635 4.640 0.001 0.000 0.241 1409 D C 1.670 177.995 176.300 0.040 0.000 1.183 1409 D CA -0.070 53.948 54.000 0.031 0.000 0.859 1409 D CB 1.151 41.970 40.800 0.031 0.000 1.067 1409 D HN -0.067 nan 8.370 nan 0.000 0.484 1410 T N 0.451 115.027 114.554 0.036 0.000 2.803 1410 T HA -0.178 4.172 4.350 0.001 0.000 0.269 1410 T C 1.940 176.673 174.700 0.056 0.000 1.052 1410 T CA 1.168 63.292 62.100 0.041 0.000 1.136 1410 T CB -0.449 68.437 68.868 0.030 0.000 0.864 1410 T HN 0.224 nan 8.240 nan 0.000 0.467 1411 V N 1.815 121.762 119.914 0.054 0.000 2.407 1411 V HA -0.154 3.967 4.120 0.001 0.000 0.248 1411 V C 2.780 178.922 176.094 0.081 0.000 1.055 1411 V CA 1.899 64.238 62.300 0.065 0.000 1.049 1411 V CB -0.590 31.264 31.823 0.052 0.000 0.662 1411 V HN 0.546 nan 8.190 nan 0.000 0.455 1412 K N -0.117 120.328 120.400 0.074 0.000 2.167 1412 K HA -0.080 4.241 4.320 0.001 0.000 0.203 1412 K C 2.236 178.906 176.600 0.116 0.000 1.052 1412 K CA 0.873 57.212 56.287 0.085 0.000 0.956 1412 K CB -0.144 32.394 32.500 0.064 0.000 0.735 1412 K HN 0.423 nan 8.250 nan 0.000 0.451 1413 K N 1.289 121.755 120.400 0.109 0.000 2.057 1413 K HA -0.168 4.153 4.320 0.001 0.000 0.207 1413 K C 2.153 178.873 176.600 0.200 0.000 1.049 1413 K CA 1.186 57.556 56.287 0.138 0.000 0.931 1413 K CB -0.041 32.513 32.500 0.090 0.000 0.714 1413 K HN 0.051 nan 8.250 nan 0.000 0.440 1414 K N 1.223 121.724 120.400 0.169 0.000 2.032 1414 K HA -0.218 4.103 4.320 0.001 0.000 0.209 1414 K C 1.356 178.137 176.600 0.302 0.000 1.048 1414 K CA 2.001 58.424 56.287 0.226 0.000 0.927 1414 K CB -0.015 32.585 32.500 0.167 0.000 0.712 1414 K HN 0.099 nan 8.250 nan 0.000 0.441 1415 D N 0.961 121.495 120.400 0.225 0.000 2.084 1415 D HA -0.143 4.498 4.640 0.001 0.000 0.196 1415 D C 2.122 178.565 176.300 0.237 0.000 0.985 1415 D CA 1.011 55.137 54.000 0.211 0.000 0.826 1415 D CB -0.279 40.612 40.800 0.153 0.000 0.978 1415 D HN 0.245 nan 8.370 nan 0.000 0.456 1416 L N 0.073 121.439 121.223 0.238 0.000 2.187 1416 L HA -0.163 4.178 4.340 0.001 0.000 0.213 1416 L C 2.373 179.456 176.870 0.355 0.000 1.100 1416 L CA 0.569 55.576 54.840 0.279 0.000 0.765 1416 L CB -0.360 41.847 42.059 0.246 0.000 0.904 1416 L HN -0.038 nan 8.230 nan 0.000 0.437 1417 F N 0.546 120.610 119.950 0.190 0.000 2.186 1417 F HA -0.140 4.387 4.527 0.001 0.000 0.299 1417 F C 2.077 177.962 175.800 0.142 0.000 1.090 1417 F CA 1.277 59.370 58.000 0.155 0.000 1.307 1417 F CB -0.095 38.997 39.000 0.154 0.000 1.019 1417 F HN -0.116 nan 8.300 nan 0.000 0.489 1418 L N -0.289 121.018 121.223 0.139 0.000 2.109 1418 L HA -0.176 4.164 4.340 0.001 0.000 0.207 1418 L C 2.053 178.961 176.870 0.063 0.000 1.086 1418 L CA 1.200 56.108 54.840 0.114 0.000 0.760 1418 L CB -0.788 41.433 42.059 0.270 0.000 0.910 1418 L HN 0.020 nan 8.230 nan 0.000 0.437 1419 D N 0.080 120.570 120.400 0.149 0.000 2.218 1419 D HA -0.161 4.480 4.640 0.001 0.000 0.204 1419 D C 2.161 178.563 176.300 0.170 0.000 0.976 1419 D CA 0.756 54.879 54.000 0.206 0.000 0.853 1419 D CB 0.041 41.015 40.800 0.291 0.000 0.939 1419 D HN 0.142 nan 8.370 nan 0.000 0.481 1420 L N 1.180 122.395 121.223 -0.013 0.000 1.976 1420 L HA -0.149 4.192 4.340 0.001 0.000 0.209 1420 L C 2.266 178.927 176.870 -0.349 0.000 1.071 1420 L CA 1.438 56.065 54.840 -0.356 0.000 0.746 1420 L CB -0.918 40.854 42.059 -0.478 0.000 0.890 1420 L HN -0.011 nan 8.230 nan 0.000 0.432 1421 I N 0.232 120.487 120.570 -0.525 0.000 2.226 1421 I HA -0.276 3.894 4.170 0.001 0.000 0.245 1421 I C 2.767 178.616 176.117 -0.447 0.000 1.100 1421 I CA 1.170 62.069 61.300 -0.668 0.000 1.374 1421 I CB -0.524 36.723 38.000 -1.254 0.000 1.057 1421 I HN 0.319 nan 8.210 nan 0.000 0.413 1422 A N 0.464 123.168 122.820 -0.194 0.000 1.940 1422 A HA -0.263 4.058 4.320 0.001 0.000 0.219 1422 A C 1.888 179.546 177.584 0.123 0.000 1.176 1422 A CA 2.286 54.404 52.037 0.135 0.000 0.631 1422 A CB -0.623 18.508 19.000 0.219 0.000 0.814 1422 A HN 0.345 nan 8.150 nan 0.000 0.446 1423 D N -0.682 119.736 120.400 0.029 0.000 2.144 1423 D HA -0.057 4.584 4.640 0.001 0.000 0.200 1423 D C 1.938 178.103 176.300 -0.226 0.000 0.978 1423 D CA 1.245 55.263 54.000 0.031 0.000 0.833 1423 D CB -0.119 40.828 40.800 0.245 0.000 0.961 1423 D HN 0.237 nan 8.370 nan 0.000 0.470 1424 V N 0.294 119.931 119.914 -0.461 0.000 2.591 1424 V HA -0.126 3.994 4.120 0.001 0.000 0.249 1424 V C 2.191 177.989 176.094 -0.493 0.000 1.053 1424 V CA 1.129 63.036 62.300 -0.655 0.000 1.068 1424 V CB -0.300 31.066 31.823 -0.761 0.000 0.689 1424 V HN 0.228 nan 8.190 nan 0.000 0.462 1425 M N -1.554 117.744 119.600 -0.503 0.000 2.357 1425 M HA 0.134 4.615 4.480 0.001 0.000 0.266 1425 M C 1.798 177.584 176.300 -0.857 0.000 1.095 1425 M CA 1.885 56.720 55.300 -0.775 0.000 1.156 1425 M CB -0.042 31.900 32.600 -1.098 0.000 1.365 1425 M HN 0.369 nan 8.290 nan 0.000 0.447 1426 F N -1.243 118.642 119.950 -0.108 0.000 2.495 1426 F HA 0.375 4.903 4.527 0.001 0.000 0.272 1426 F C 2.410 178.169 175.800 -0.069 0.000 0.919 1426 F CA 0.170 58.135 58.000 -0.059 0.000 1.178 1426 F CB -1.374 37.633 39.000 0.013 0.000 1.030 1426 F HN 0.041 nan 8.300 nan 0.000 0.777 1427 G N 1.476 110.371 108.800 0.158 0.000 2.721 1427 G HA2 -0.264 3.696 3.960 0.001 0.000 0.218 1427 G HA3 -0.264 3.696 3.960 0.001 0.000 0.218 1427 G C 1.681 176.596 174.900 0.025 0.000 1.265 1427 G CA 2.257 47.404 45.100 0.079 0.000 0.796 1427 G HN 0.171 nan 8.290 nan 0.000 0.620 1428 V N 2.351 122.268 119.914 0.004 0.000 2.295 1428 V HA -0.125 3.996 4.120 0.001 0.000 0.246 1428 V C 0.438 176.512 176.094 -0.033 0.000 1.049 1428 V CA 2.364 64.672 62.300 0.013 0.000 1.024 1428 V CB -1.455 30.373 31.823 0.008 0.000 0.648 1428 V HN 0.321 nan 8.190 nan 0.000 0.447 1429 P HA -0.121 nan 4.420 nan 0.000 0.216 1429 P C 2.026 179.282 177.300 -0.074 0.000 1.153 1429 P CA 1.939 64.979 63.100 -0.101 0.000 0.858 1429 P CB -0.115 31.494 31.700 -0.152 0.000 0.789 1430 S N -0.741 114.920 115.700 -0.066 0.000 2.356 1430 S HA -0.119 4.351 4.470 0.001 0.000 0.223 1430 S C 2.033 176.540 174.600 -0.154 0.000 1.032 1430 S CA 1.352 59.488 58.200 -0.107 0.000 1.005 1430 S CB -1.303 61.838 63.200 -0.099 0.000 0.867 1430 S HN -0.045 nan 8.310 nan 0.000 0.449 1431 V N 2.083 121.929 119.914 -0.112 0.000 2.358 1431 V HA -0.136 3.985 4.120 0.001 0.000 0.246 1431 V C 2.075 178.145 176.094 -0.041 0.000 1.047 1431 V CA 1.397 63.635 62.300 -0.103 0.000 1.035 1431 V CB -0.636 31.178 31.823 -0.014 0.000 0.658 1431 V HN 0.441 nan 8.190 nan 0.000 0.452 1432 I N -0.335 120.228 120.570 -0.012 0.000 2.163 1432 I HA -0.232 3.939 4.170 0.001 0.000 0.243 1432 I C 2.405 178.526 176.117 0.006 0.000 1.085 1432 I CA 1.400 62.709 61.300 0.015 0.000 1.347 1432 I CB -0.463 37.540 38.000 0.005 0.000 1.044 1432 I HN 0.156 nan 8.210 nan 0.000 0.408 1433 V N 1.139 121.035 119.914 -0.029 0.000 2.332 1433 V HA -0.327 3.793 4.120 0.001 0.000 0.248 1433 V C 2.713 178.798 176.094 -0.015 0.000 1.055 1433 V CA 2.047 64.341 62.300 -0.009 0.000 1.038 1433 V CB -1.083 30.721 31.823 -0.031 0.000 0.651 1433 V HN 0.510 nan 8.190 nan 0.000 0.450 1434 A N 0.115 122.853 122.820 -0.137 0.000 1.858 1434 A HA -0.232 4.088 4.320 0.001 0.000 0.216 1434 A C 2.372 179.981 177.584 0.040 0.000 1.190 1434 A CA 1.939 53.843 52.037 -0.221 0.000 0.617 1434 A CB -0.532 18.122 19.000 -0.576 0.000 0.827 1434 A HN 0.509 nan 8.150 nan 0.000 0.443 1435 R N -0.205 120.381 120.500 0.143 0.000 2.091 1435 R HA -0.126 4.214 4.340 0.001 0.000 0.238 1435 R C 2.019 178.421 176.300 0.171 0.000 1.136 1435 R CA 1.499 57.752 56.100 0.255 0.000 0.959 1435 R CB -0.482 29.941 30.300 0.206 0.000 0.856 1435 R HN 0.575 nan 8.270 nan 0.000 0.437 1436 N N -0.005 118.773 118.700 0.130 0.000 2.120 1436 N HA -0.199 4.542 4.740 0.001 0.000 0.188 1436 N C 1.785 177.381 175.510 0.143 0.000 1.024 1436 N CA 1.043 54.160 53.050 0.113 0.000 0.852 1436 N CB -0.312 38.229 38.487 0.090 0.000 1.003 1436 N HN 0.396 nan 8.380 nan 0.000 0.424 1437 H N 1.794 120.923 119.070 0.098 0.000 2.353 1437 H HA -0.042 4.515 4.556 0.001 0.000 0.300 1437 H C 2.240 177.637 175.328 0.115 0.000 1.090 1437 H CA 1.255 57.381 56.048 0.130 0.000 1.327 1437 H CB 0.194 30.064 29.762 0.179 0.000 1.383 1437 H HN 0.162 nan 8.280 nan 0.000 0.508 1438 R N 0.533 121.181 120.500 0.247 0.000 2.080 1438 R HA -0.129 4.211 4.340 0.001 0.000 0.236 1438 R C 1.574 177.922 176.300 0.080 0.000 1.137 1438 R CA 1.991 58.200 56.100 0.181 0.000 0.943 1438 R CB -0.168 30.271 30.300 0.233 0.000 0.846 1438 R HN 0.331 nan 8.270 nan 0.000 0.431 1439 D N 0.348 120.793 120.400 0.074 0.000 2.263 1439 D HA -0.123 4.517 4.640 0.001 0.000 0.208 1439 D C 1.471 177.780 176.300 0.014 0.000 0.971 1439 D CA 1.219 55.243 54.000 0.040 0.000 0.867 1439 D CB -0.094 40.732 40.800 0.044 0.000 0.929 1439 D HN 0.423 nan 8.370 nan 0.000 0.492 1440 A N 0.075 122.889 122.820 -0.009 0.000 2.209 1440 A HA 0.306 4.626 4.320 0.001 0.000 0.212 1440 A C 1.756 179.308 177.584 -0.053 0.000 1.158 1440 A CA 1.130 53.142 52.037 -0.042 0.000 0.742 1440 A CB -0.273 18.671 19.000 -0.093 0.000 0.790 1440 A HN 0.264 nan 8.150 nan 0.000 0.472 1441 G N -2.377 106.400 108.800 -0.037 0.000 2.142 1441 G HA2 0.198 4.159 3.960 0.001 0.000 0.225 1441 G HA3 0.198 4.159 3.960 0.001 0.000 0.225 1441 G C 0.124 175.009 174.900 -0.026 0.000 1.015 1441 G CA 0.282 45.370 45.100 -0.020 0.000 0.716 1441 G HN 1.626 nan 8.290 nan 0.000 0.508 1442 A N -0.390 122.396 122.820 -0.056 0.000 2.380 1442 A HA 0.938 5.259 4.320 0.001 0.000 0.315 1442 A C -2.567 175.117 177.584 0.166 0.000 1.101 1442 A CA -1.772 50.263 52.037 -0.004 0.000 0.771 1442 A CB 1.522 20.405 19.000 -0.196 0.000 1.287 1442 A HN 0.070 nan 8.150 nan 0.000 0.436 1443 P HA 0.216 nan 4.420 nan 0.000 0.263 1443 P C -0.475 177.008 177.300 0.304 0.000 1.195 1443 P CA 0.859 64.095 63.100 0.226 0.000 0.762 1443 P CB 0.575 32.435 31.700 0.267 0.000 0.799 1444 T N 2.815 117.423 114.554 0.091 0.000 2.906 1444 T HA 0.634 4.985 4.350 0.001 0.000 0.295 1444 T C -1.090 173.435 174.700 -0.291 0.000 1.061 1444 T CA -0.344 61.776 62.100 0.033 0.000 1.000 1444 T CB 1.076 70.022 68.868 0.131 0.000 1.103 1444 T HN 0.142 nan 8.240 nan 0.000 0.486 1445 Y N 0.149 120.339 120.300 -0.184 0.000 2.581 1445 Y HA 0.678 5.229 4.550 0.001 0.000 0.337 1445 Y C -0.365 175.444 175.900 -0.150 0.000 1.108 1445 Y CA -1.123 56.856 58.100 -0.201 0.000 1.033 1445 Y CB 2.168 40.207 38.460 -0.701 0.000 1.318 1445 Y HN 0.394 nan 8.280 nan 0.000 0.459 1446 M N 2.435 122.248 119.600 0.354 0.000 2.631 1446 M HA 0.564 5.045 4.480 0.001 0.000 0.288 1446 M C -1.675 174.925 176.300 0.500 0.000 1.260 1446 M CA -0.956 54.448 55.300 0.173 0.000 0.842 1446 M CB 3.506 36.012 32.600 -0.155 0.000 1.743 1446 M HN 0.765 nan 8.290 nan 0.000 0.461 1447 Y N -1.416 119.013 120.300 0.215 0.000 2.689 1447 Y HA 0.727 5.277 4.550 0.001 0.000 0.333 1447 Y C -1.729 174.252 175.900 0.136 0.000 1.208 1447 Y CA -0.966 57.210 58.100 0.128 0.000 1.055 1447 Y CB 1.590 40.063 38.460 0.021 0.000 1.304 1447 Y HN 0.708 nan 8.280 nan 0.000 0.455 1448 E N 2.308 122.787 120.200 0.465 0.000 2.302 1448 E HA 0.298 4.649 4.350 0.001 0.000 0.263 1448 E C -2.185 174.686 176.600 0.451 0.000 0.897 1448 E CA -0.729 55.884 56.400 0.354 0.000 0.809 1448 E CB 1.186 31.013 29.700 0.212 0.000 1.270 1448 E HN 0.606 nan 8.360 nan 0.000 0.410 1449 F N 3.227 123.398 119.950 0.368 0.000 2.443 1449 F HA 0.222 4.749 4.527 0.001 0.000 0.353 1449 F C -0.101 175.812 175.800 0.189 0.000 1.101 1449 F CA 0.408 58.555 58.000 0.244 0.000 1.226 1449 F CB 0.910 40.056 39.000 0.242 0.000 1.140 1449 F HN 0.478 nan 8.300 nan 0.000 0.557 1450 Q N 6.561 126.169 119.800 -0.320 0.000 3.484 1450 Q HA 0.233 4.574 4.340 0.001 0.000 0.255 1450 Q C -1.790 174.051 176.000 -0.265 0.000 0.909 1450 Q CA -0.337 55.366 55.803 -0.166 0.000 0.774 1450 Q CB 1.489 30.199 28.738 -0.047 0.000 1.431 1450 Q HN 0.709 nan 8.270 nan 0.000 0.423 1451 Y N -0.227 119.778 120.300 -0.492 0.000 2.597 1451 Y HA 0.504 5.054 4.550 0.001 0.000 0.340 1451 Y C -1.550 174.320 175.900 -0.050 0.000 1.097 1451 Y CA -1.098 56.802 58.100 -0.334 0.000 1.037 1451 Y CB 1.741 39.880 38.460 -0.535 0.000 1.305 1451 Y HN 0.239 nan 8.280 nan 0.000 0.463 1452 R N 5.621 125.760 120.500 -0.602 0.000 2.310 1452 R HA 0.460 4.800 4.340 0.001 0.000 0.316 1452 R C -2.894 173.228 176.300 -0.296 0.000 1.004 1452 R CA -2.090 53.822 56.100 -0.312 0.000 0.900 1452 R CB 1.011 31.106 30.300 -0.342 0.000 1.152 1452 R HN 0.396 nan 8.270 nan 0.000 0.513 1453 P HA -0.013 nan 4.420 nan 0.000 0.268 1453 P C 0.267 177.377 177.300 -0.316 0.000 1.205 1453 P CA 0.033 63.134 63.100 0.001 0.000 0.771 1453 P CB 1.527 33.237 31.700 0.017 0.000 0.858 1454 S N 1.794 117.171 115.700 -0.539 0.000 2.447 1454 S HA -0.115 4.355 4.470 0.001 0.000 0.233 1454 S C 1.173 175.409 174.600 -0.607 0.000 1.006 1454 S CA 0.635 58.482 58.200 -0.589 0.000 0.957 1454 S CB -1.175 61.628 63.200 -0.663 0.000 0.773 1454 S HN 0.405 nan 8.310 nan 0.000 0.507 1455 F N 2.899 122.649 119.950 -0.333 0.000 2.716 1455 F HA 0.354 4.881 4.527 0.001 0.000 0.301 1455 F C 1.237 176.762 175.800 -0.458 0.000 1.210 1455 F CA -0.508 57.247 58.000 -0.408 0.000 1.422 1455 F CB -0.801 37.872 39.000 -0.546 0.000 1.073 1455 F HN 0.039 nan 8.300 nan 0.000 0.525 1456 S N -0.579 114.964 115.700 -0.261 0.000 2.641 1456 S HA 0.192 4.662 4.470 0.001 0.000 0.261 1456 S C 0.430 174.961 174.600 -0.115 0.000 1.257 1456 S CA -0.735 57.358 58.200 -0.179 0.000 0.983 1456 S CB 1.043 64.118 63.200 -0.208 0.000 0.990 1456 S HN 0.246 nan 8.310 nan 0.000 0.572 1457 S N 0.032 115.653 115.700 -0.131 0.000 2.554 1457 S HA 0.147 4.618 4.470 0.001 0.000 0.278 1457 S C 0.733 175.211 174.600 -0.203 0.000 1.242 1457 S CA -0.773 57.368 58.200 -0.098 0.000 1.051 1457 S CB 0.261 63.482 63.200 0.035 0.000 0.986 1457 S HN 0.585 nan 8.310 nan 0.000 0.502 1458 D N 3.947 124.285 120.400 -0.105 0.000 2.116 1458 D HA -0.168 4.473 4.640 0.001 0.000 0.193 1458 D C 1.584 177.798 176.300 -0.143 0.000 0.998 1458 D CA 1.639 55.574 54.000 -0.110 0.000 0.836 1458 D CB -0.162 40.610 40.800 -0.048 0.000 0.951 1458 D HN 0.643 nan 8.370 nan 0.000 0.449 1459 M N 0.343 119.898 119.600 -0.075 0.000 2.706 1459 M HA -0.079 4.401 4.480 0.001 0.000 0.251 1459 M C 0.934 177.093 176.300 -0.236 0.000 1.070 1459 M CA 0.611 55.908 55.300 -0.005 0.000 1.073 1459 M CB -0.149 32.590 32.600 0.231 0.000 1.449 1459 M HN -0.175 nan 8.290 nan 0.000 0.531 1460 K N 2.818 122.801 120.400 -0.695 0.000 2.227 1460 K HA 0.265 4.586 4.320 0.001 0.000 0.280 1460 K C -2.301 173.931 176.600 -0.615 0.000 1.041 1460 K CA -1.836 53.680 56.287 -1.285 0.000 0.905 1460 K CB 1.024 32.611 32.500 -1.520 0.000 1.068 1460 K HN -0.111 nan 8.250 nan 0.000 0.470 1461 P HA 0.004 nan 4.420 nan 0.000 0.268 1461 P C -0.708 176.474 177.300 -0.197 0.000 1.204 1461 P CA 0.060 63.033 63.100 -0.212 0.000 0.768 1461 P CB 0.714 32.358 31.700 -0.093 0.000 0.842 1462 K N 0.893 121.205 120.400 -0.148 0.000 2.525 1462 K HA -0.004 4.316 4.320 0.001 0.000 0.192 1462 K C 1.474 178.013 176.600 -0.103 0.000 1.029 1462 K CA 0.965 57.169 56.287 -0.138 0.000 1.029 1462 K CB -0.334 32.091 32.500 -0.125 0.000 0.814 1462 K HN 0.592 nan 8.250 nan 0.000 0.503 1463 T N -2.438 112.073 114.554 -0.072 0.000 3.081 1463 T HA 0.083 4.434 4.350 0.001 0.000 0.250 1463 T C 0.647 175.335 174.700 -0.021 0.000 1.100 1463 T CA -0.252 61.825 62.100 -0.039 0.000 1.038 1463 T CB 0.064 68.926 68.868 -0.010 0.000 0.962 1463 T HN -0.207 nan 8.240 nan 0.000 0.516 1464 V N 2.650 122.545 119.914 -0.032 0.000 2.385 1464 V HA 0.475 4.595 4.120 0.001 0.000 0.269 1464 V C -0.150 175.940 176.094 -0.007 0.000 1.043 1464 V CA -0.772 61.533 62.300 0.009 0.000 0.906 1464 V CB 0.583 32.427 31.823 0.036 0.000 0.995 1464 V HN 0.449 nan 8.190 nan 0.000 0.467 1465 I N 3.819 124.399 120.570 0.017 0.000 2.436 1465 I HA 0.647 4.817 4.170 0.001 0.000 0.289 1465 I C 0.840 177.004 176.117 0.079 0.000 1.010 1465 I CA -0.465 60.837 61.300 0.003 0.000 1.098 1465 I CB 1.821 39.794 38.000 -0.045 0.000 1.266 1465 I HN 0.794 nan 8.210 nan 0.000 0.434 1466 G N 3.681 112.567 108.800 0.144 0.000 2.303 1466 G HA2 -0.214 3.746 3.960 0.001 0.000 0.260 1466 G HA3 -0.214 3.746 3.960 0.001 0.000 0.260 1466 G C -0.394 174.654 174.900 0.247 0.000 1.106 1466 G CA -0.268 44.983 45.100 0.251 0.000 0.900 1466 G HN 0.701 nan 8.290 nan 0.000 0.495 1467 D N -0.772 119.779 120.400 0.253 0.000 2.377 1467 D HA 0.388 5.028 4.640 0.001 0.000 0.245 1467 D C 0.924 177.396 176.300 0.286 0.000 1.196 1467 D CA -0.444 53.717 54.000 0.268 0.000 0.962 1467 D CB 0.394 41.376 40.800 0.303 0.000 1.127 1467 D HN 0.359 nan 8.370 nan 0.000 0.471 1468 H N -0.004 119.160 119.070 0.156 0.000 3.070 1468 H HA 0.286 4.843 4.556 0.001 0.000 0.313 1468 H C 1.242 176.687 175.328 0.195 0.000 0.997 1468 H CA 1.682 57.793 56.048 0.104 0.000 1.438 1468 H CB 0.006 29.820 29.762 0.086 0.000 1.455 1468 H HN 0.592 nan 8.280 nan 0.000 0.575 1469 G N 4.481 113.129 108.800 -0.253 0.000 2.160 1469 G HA2 -0.289 3.671 3.960 0.001 0.000 0.251 1469 G HA3 -0.289 3.671 3.960 0.001 0.000 0.251 1469 G C 0.843 175.624 174.900 -0.198 0.000 1.008 1469 G CA 0.477 45.331 45.100 -0.409 0.000 0.724 1469 G HN 0.697 nan 8.290 nan 0.000 0.514 1470 D N 0.269 120.708 120.400 0.066 0.000 2.323 1470 D HA 0.016 4.657 4.640 0.001 0.000 0.209 1470 D C 2.338 178.673 176.300 0.057 0.000 0.973 1470 D CA 0.987 55.174 54.000 0.311 0.000 0.874 1470 D CB 0.086 41.166 40.800 0.468 0.000 0.930 1470 D HN 0.708 nan 8.370 nan 0.000 0.521 1471 E N 1.005 120.926 120.200 -0.465 0.000 2.371 1471 E HA -0.079 4.272 4.350 0.001 0.000 0.194 1471 E C 2.025 178.276 176.600 -0.583 0.000 1.012 1471 E CA 0.114 55.872 56.400 -1.069 0.000 0.860 1471 E CB -0.522 28.534 29.700 -1.074 0.000 0.811 1471 E HN 0.296 nan 8.360 nan 0.000 0.502 1472 L N -0.118 120.828 121.223 -0.462 0.000 2.083 1472 L HA -0.113 4.228 4.340 0.001 0.000 0.209 1472 L C 2.399 179.016 176.870 -0.423 0.000 1.083 1472 L CA 1.352 55.930 54.840 -0.436 0.000 0.752 1472 L CB -0.626 41.072 42.059 -0.602 0.000 0.899 1472 L HN 0.006 nan 8.230 nan 0.000 0.433 1473 F N -0.406 119.488 119.950 -0.093 0.000 2.216 1473 F HA -0.174 4.353 4.527 0.001 0.000 0.300 1473 F C 2.606 178.375 175.800 -0.052 0.000 1.085 1473 F CA 1.212 59.187 58.000 -0.042 0.000 1.326 1473 F CB -0.559 38.528 39.000 0.145 0.000 1.027 1473 F HN -0.002 nan 8.300 nan 0.000 0.497 1474 S N -0.255 115.450 115.700 0.009 0.000 2.371 1474 S HA -0.077 4.394 4.470 0.001 0.000 0.221 1474 S C 2.255 176.692 174.600 -0.271 0.000 1.036 1474 S CA 0.833 58.985 58.200 -0.081 0.000 0.965 1474 S CB -0.590 62.544 63.200 -0.109 0.000 0.845 1474 S HN 0.126 nan 8.310 nan 0.000 0.475 1475 V N 1.014 120.636 119.914 -0.487 0.000 2.332 1475 V HA -0.122 3.999 4.120 0.001 0.000 0.248 1475 V C 1.423 177.108 176.094 -0.683 0.000 1.055 1475 V CA 1.656 63.506 62.300 -0.750 0.000 1.038 1475 V CB -0.697 30.584 31.823 -0.903 0.000 0.651 1475 V HN 0.464 nan 8.190 nan 0.000 0.450 1476 F N 0.283 120.030 119.950 -0.340 0.000 2.645 1476 F HA 0.460 4.988 4.527 0.001 0.000 0.300 1476 F C 1.602 177.285 175.800 -0.196 0.000 1.115 1476 F CA 0.471 58.301 58.000 -0.282 0.000 1.355 1476 F CB -0.252 38.549 39.000 -0.332 0.000 1.026 1476 F HN 0.235 nan 8.300 nan 0.000 0.536 1477 G N 1.015 109.801 108.800 -0.023 0.000 2.350 1477 G HA2 -0.264 3.697 3.960 0.001 0.000 0.298 1477 G HA3 -0.264 3.697 3.960 0.001 0.000 0.298 1477 G C 1.167 176.152 174.900 0.143 0.000 1.037 1477 G CA 0.282 45.466 45.100 0.140 0.000 1.074 1477 G HN 0.573 nan 8.290 nan 0.000 0.511 1478 A N 0.163 122.978 122.820 -0.009 0.000 1.933 1478 A HA 0.154 4.475 4.320 0.001 0.000 0.218 1478 A C 0.655 178.052 177.584 -0.312 0.000 1.175 1478 A CA 2.043 53.930 52.037 -0.250 0.000 0.628 1478 A CB -0.689 18.040 19.000 -0.451 0.000 0.814 1478 A HN 0.477 nan 8.150 nan 0.000 0.444 1479 P HA -0.130 nan 4.420 nan 0.000 0.220 1479 P C 0.435 177.465 177.300 -0.451 0.000 1.144 1479 P CA 0.990 63.968 63.100 -0.203 0.000 0.800 1479 P CB -0.147 31.304 31.700 -0.416 0.000 0.772 1480 F N -2.938 117.011 119.950 -0.001 0.000 2.695 1480 F HA 0.232 4.759 4.527 0.001 0.000 0.303 1480 F C 1.724 177.534 175.800 0.017 0.000 1.091 1480 F CA 0.279 58.296 58.000 0.029 0.000 1.300 1480 F CB -0.271 38.737 39.000 0.014 0.000 1.071 1480 F HN -0.167 nan 8.300 nan 0.000 0.578 1481 L N -1.429 119.837 121.223 0.072 0.000 2.600 1481 L HA 0.215 4.555 4.340 0.001 0.000 0.213 1481 L C 1.139 177.999 176.870 -0.016 0.000 1.045 1481 L CA 0.216 55.072 54.840 0.027 0.000 0.863 1481 L CB 0.125 42.172 42.059 -0.020 0.000 1.189 1481 L HN -0.168 nan 8.230 nan 0.000 0.484 1482 K N 0.229 120.576 120.400 -0.088 0.000 2.760 1482 K HA 0.377 4.698 4.320 0.001 0.000 0.285 1482 K C -0.516 176.130 176.600 0.076 0.000 1.016 1482 K CA -0.455 55.810 56.287 -0.036 0.000 1.087 1482 K CB 0.552 32.955 32.500 -0.162 0.000 1.427 1482 K HN -0.077 nan 8.250 nan 0.000 0.524 1483 E N -1.737 118.555 120.200 0.152 0.000 2.392 1483 E HA 0.357 4.708 4.350 0.001 0.000 0.269 1483 E C -0.204 176.474 176.600 0.129 0.000 0.924 1483 E CA -0.357 56.116 56.400 0.121 0.000 0.784 1483 E CB 1.870 31.611 29.700 0.069 0.000 1.292 1483 E HN 0.714 nan 8.360 nan 0.000 0.447 1484 G N 0.354 109.185 108.800 0.051 0.000 2.179 1484 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 1484 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 1484 G C 0.393 175.259 174.900 -0.057 0.000 0.977 1484 G CA 0.063 45.158 45.100 -0.008 0.000 0.641 1484 G HN 0.756 nan 8.290 nan 0.000 0.533 1485 A N 0.496 123.306 122.820 -0.017 0.000 2.511 1485 A HA 0.599 4.919 4.320 0.001 0.000 0.242 1485 A C 1.083 178.621 177.584 -0.076 0.000 1.069 1485 A CA 1.114 53.103 52.037 -0.079 0.000 0.763 1485 A CB 0.197 19.225 19.000 0.046 0.000 1.001 1485 A HN 2.009 nan 8.150 nan 0.000 0.498 1486 S N 1.119 116.769 115.700 -0.084 0.000 2.632 1486 S HA 0.289 4.759 4.470 0.001 0.000 0.271 1486 S C 0.857 175.431 174.600 -0.044 0.000 1.260 1486 S CA 0.183 58.351 58.200 -0.053 0.000 1.010 1486 S CB 1.168 64.343 63.200 -0.041 0.000 0.965 1486 S HN 0.768 nan 8.310 nan 0.000 0.534 1487 E N 0.672 120.856 120.200 -0.027 0.000 2.219 1487 E HA -0.228 4.122 4.350 0.001 0.000 0.198 1487 E C 1.682 178.272 176.600 -0.015 0.000 0.998 1487 E CA 1.914 58.304 56.400 -0.016 0.000 0.818 1487 E CB -0.260 29.438 29.700 -0.003 0.000 0.741 1487 E HN 0.840 nan 8.360 nan 0.000 0.477 1488 E N -0.045 120.148 120.200 -0.012 0.000 2.046 1488 E HA -0.189 4.162 4.350 0.001 0.000 0.190 1488 E C 1.964 178.529 176.600 -0.059 0.000 0.982 1488 E CA 0.992 57.385 56.400 -0.011 0.000 0.800 1488 E CB -0.139 29.581 29.700 0.034 0.000 0.756 1488 E HN 0.389 nan 8.360 nan 0.000 0.449 1489 E N 0.220 120.392 120.200 -0.047 0.000 2.153 1489 E HA -0.171 4.179 4.350 0.001 0.000 0.194 1489 E C 2.106 178.648 176.600 -0.097 0.000 0.988 1489 E CA 0.894 57.235 56.400 -0.098 0.000 0.811 1489 E CB 0.018 29.706 29.700 -0.020 0.000 0.746 1489 E HN 0.335 nan 8.360 nan 0.000 0.466 1490 I N 0.174 120.683 120.570 -0.102 0.000 2.202 1490 I HA -0.238 3.933 4.170 0.001 0.000 0.242 1490 I C 2.754 178.887 176.117 0.027 0.000 1.091 1490 I CA 0.919 62.129 61.300 -0.150 0.000 1.368 1490 I CB -0.274 37.629 38.000 -0.161 0.000 1.058 1490 I HN 0.049 nan 8.210 nan 0.000 0.410 1491 R N 1.015 121.526 120.500 0.019 0.000 2.096 1491 R HA -0.217 4.124 4.340 0.001 0.000 0.235 1491 R C 2.363 178.672 176.300 0.016 0.000 1.127 1491 R CA 1.495 57.620 56.100 0.042 0.000 0.968 1491 R CB -0.263 30.045 30.300 0.013 0.000 0.861 1491 R HN 0.222 nan 8.270 nan 0.000 0.440 1492 L N 0.335 121.527 121.223 -0.051 0.000 2.017 1492 L HA -0.137 4.204 4.340 0.001 0.000 0.208 1492 L C 2.322 179.182 176.870 -0.015 0.000 1.073 1492 L CA 2.236 57.026 54.840 -0.083 0.000 0.745 1492 L CB -0.792 41.106 42.059 -0.269 0.000 0.894 1492 L HN 0.169 nan 8.230 nan 0.000 0.432 1493 S N -0.890 114.822 115.700 0.019 0.000 2.368 1493 S HA -0.222 4.248 4.470 0.001 0.000 0.225 1493 S C 2.058 176.708 174.600 0.083 0.000 1.030 1493 S CA 1.564 59.804 58.200 0.067 0.000 0.999 1493 S CB -0.216 63.089 63.200 0.175 0.000 0.844 1493 S HN 0.547 nan 8.310 nan 0.000 0.459 1494 K N 0.409 120.907 120.400 0.163 0.000 2.057 1494 K HA -0.081 4.239 4.320 0.001 0.000 0.207 1494 K C 2.324 178.939 176.600 0.025 0.000 1.049 1494 K CA 1.656 58.008 56.287 0.108 0.000 0.931 1494 K CB -0.282 32.321 32.500 0.171 0.000 0.714 1494 K HN 0.442 nan 8.250 nan 0.000 0.440 1495 M N 0.814 120.421 119.600 0.011 0.000 2.086 1495 M HA -0.184 4.297 4.480 0.001 0.000 0.261 1495 M C 2.003 178.325 176.300 0.037 0.000 1.067 1495 M CA 1.559 56.833 55.300 -0.043 0.000 1.116 1495 M CB 0.028 32.617 32.600 -0.018 0.000 1.348 1495 M HN -0.048 nan 8.290 nan 0.000 0.407 1496 V N 0.987 120.938 119.914 0.062 0.000 2.255 1496 V HA -0.346 3.774 4.120 0.001 0.000 0.247 1496 V C 2.417 178.495 176.094 -0.028 0.000 1.051 1496 V CA 2.236 64.540 62.300 0.007 0.000 1.018 1496 V CB -0.757 30.872 31.823 -0.323 0.000 0.641 1496 V HN 0.566 nan 8.190 nan 0.000 0.445 1497 M N -0.425 119.102 119.600 -0.122 0.000 2.080 1497 M HA -0.247 4.233 4.480 0.001 0.000 0.260 1497 M C 2.382 178.724 176.300 0.070 0.000 1.068 1497 M CA 2.119 57.358 55.300 -0.101 0.000 1.109 1497 M CB -0.593 31.919 32.600 -0.145 0.000 1.342 1497 M HN 0.233 nan 8.290 nan 0.000 0.405 1498 K N 0.364 120.796 120.400 0.053 0.000 2.032 1498 K HA -0.163 4.158 4.320 0.001 0.000 0.209 1498 K C 1.795 178.494 176.600 0.166 0.000 1.048 1498 K CA 1.643 57.960 56.287 0.051 0.000 0.927 1498 K CB -0.220 32.252 32.500 -0.047 0.000 0.712 1498 K HN 0.194 nan 8.250 nan 0.000 0.441 1499 F N -0.352 119.735 119.950 0.228 0.000 2.095 1499 F HA -0.270 4.257 4.527 0.001 0.000 0.298 1499 F C 2.336 178.328 175.800 0.321 0.000 1.104 1499 F CA 0.858 59.053 58.000 0.325 0.000 1.232 1499 F CB -0.131 39.201 39.000 0.553 0.000 0.987 1499 F HN 0.264 nan 8.300 nan 0.000 0.475 1500 W N -0.150 121.244 121.300 0.157 0.000 2.355 1500 W HA -0.213 4.447 4.660 0.001 0.000 0.309 1500 W C 2.622 179.134 176.519 -0.012 0.000 1.206 1500 W CA 0.906 58.253 57.345 0.004 0.000 1.284 1500 W CB -0.665 28.711 29.460 -0.140 0.000 1.145 1500 W HN -0.011 nan 8.180 nan 0.000 0.502 1501 A N 0.769 123.711 122.820 0.204 0.000 1.933 1501 A HA -0.238 4.083 4.320 0.001 0.000 0.218 1501 A C 1.672 179.293 177.584 0.061 0.000 1.175 1501 A CA 1.953 54.036 52.037 0.078 0.000 0.628 1501 A CB -0.958 18.073 19.000 0.052 0.000 0.814 1501 A HN 0.264 nan 8.150 nan 0.000 0.444 1502 N N -1.003 117.759 118.700 0.103 0.000 2.142 1502 N HA -0.113 4.628 4.740 0.001 0.000 0.186 1502 N C 1.359 176.883 175.510 0.024 0.000 1.023 1502 N CA 1.326 54.416 53.050 0.066 0.000 0.852 1502 N CB -0.612 37.941 38.487 0.110 0.000 0.998 1502 N HN 0.512 nan 8.380 nan 0.000 0.424 1503 F N 1.715 121.586 119.950 -0.132 0.000 2.134 1503 F HA -0.048 4.479 4.527 0.001 0.000 0.299 1503 F C 2.153 177.851 175.800 -0.169 0.000 1.097 1503 F CA 1.121 58.972 58.000 -0.249 0.000 1.264 1503 F CB -0.461 38.284 39.000 -0.425 0.000 1.001 1503 F HN 0.036 nan 8.300 nan 0.000 0.479 1504 A N 0.316 123.050 122.820 -0.143 0.000 1.933 1504 A HA -0.149 4.172 4.320 0.001 0.000 0.218 1504 A C 2.373 179.856 177.584 -0.168 0.000 1.175 1504 A CA 1.560 53.494 52.037 -0.171 0.000 0.628 1504 A CB -0.582 18.369 19.000 -0.082 0.000 0.814 1504 A HN 0.429 nan 8.150 nan 0.000 0.444 1505 R N -0.670 119.757 120.500 -0.121 0.000 2.057 1505 R HA -0.003 4.337 4.340 0.001 0.000 0.229 1505 R C 0.991 177.213 176.300 -0.129 0.000 1.136 1505 R CA 1.461 57.502 56.100 -0.097 0.000 0.952 1505 R CB -0.155 30.116 30.300 -0.048 0.000 0.848 1505 R HN 0.513 nan 8.270 nan 0.000 0.430 1506 N N -1.455 117.154 118.700 -0.151 0.000 2.197 1506 N HA 0.075 4.816 4.740 0.001 0.000 0.201 1506 N C 0.666 176.040 175.510 -0.225 0.000 1.148 1506 N CA 0.857 53.821 53.050 -0.142 0.000 0.883 1506 N CB 1.782 40.226 38.487 -0.072 0.000 1.012 1506 N HN 0.365 nan 8.380 nan 0.000 0.507 1507 G N 1.641 110.169 108.800 -0.454 0.000 2.148 1507 G HA2 -0.253 3.708 3.960 0.001 0.000 0.254 1507 G HA3 -0.253 3.708 3.960 0.001 0.000 0.254 1507 G C -0.155 174.518 174.900 -0.378 0.000 0.981 1507 G CA 0.170 44.826 45.100 -0.741 0.000 0.670 1507 G HN 0.454 nan 8.290 nan 0.000 0.528 1508 N N -0.371 118.221 118.700 -0.181 0.000 2.519 1508 N HA 0.376 5.116 4.740 0.001 0.000 0.291 1508 N C -1.564 173.893 175.510 -0.089 0.000 1.107 1508 N CA -1.323 51.664 53.050 -0.105 0.000 0.904 1508 N CB 2.286 40.775 38.487 0.003 0.000 1.500 1508 N HN -0.053 nan 8.380 nan 0.000 0.510 1509 P HA -0.072 nan 4.420 nan 0.000 0.225 1509 P C -0.295 177.191 177.300 0.311 0.000 1.148 1509 P CA 0.560 63.660 63.100 0.001 0.000 0.779 1509 P CB 0.255 31.685 31.700 -0.449 0.000 0.780 1510 N N 0.866 119.676 118.700 0.184 0.000 2.492 1510 N HA 0.273 5.013 4.740 0.001 0.000 0.262 1510 N C 0.897 176.505 175.510 0.163 0.000 1.202 1510 N CA 0.961 54.164 53.050 0.255 0.000 0.926 1510 N CB 0.733 39.352 38.487 0.221 0.000 1.078 1510 N HN 0.161 nan 8.380 nan 0.000 0.454 1511 G N 0.295 109.174 108.800 0.132 0.000 2.600 1511 G HA2 0.293 4.253 3.960 0.001 0.000 0.293 1511 G HA3 0.293 4.253 3.960 0.001 0.000 0.293 1511 G C -1.373 173.556 174.900 0.047 0.000 1.408 1511 G CA -0.755 44.386 45.100 0.069 0.000 0.782 1511 G HN 0.554 nan 8.290 nan 0.000 0.482 1512 E N -0.822 119.396 120.200 0.030 0.000 2.373 1512 E HA 0.458 4.809 4.350 0.001 0.000 0.267 1512 E C 0.978 177.575 176.600 -0.005 0.000 1.032 1512 E CA 0.042 56.456 56.400 0.022 0.000 0.889 1512 E CB 1.174 30.886 29.700 0.020 0.000 0.984 1512 E HN 1.933 nan 8.360 nan 0.000 0.425 1513 G N 2.201 111.000 108.800 -0.001 0.000 2.176 1513 G HA2 -0.252 3.709 3.960 0.001 0.000 0.253 1513 G HA3 -0.252 3.709 3.960 0.001 0.000 0.253 1513 G C -0.110 174.760 174.900 -0.051 0.000 0.979 1513 G CA 0.253 45.341 45.100 -0.020 0.000 0.641 1513 G HN 0.413 nan 8.290 nan 0.000 0.530 1514 L N 0.050 121.242 121.223 -0.052 0.000 2.354 1514 L HA 0.598 4.938 4.340 0.001 0.000 0.264 1514 L C -1.806 175.104 176.870 0.066 0.000 1.008 1514 L CA -2.428 52.348 54.840 -0.107 0.000 0.819 1514 L CB 1.729 43.567 42.059 -0.370 0.000 1.339 1514 L HN -0.120 nan 8.230 nan 0.000 0.420 1515 P HA 0.033 nan 4.420 nan 0.000 0.274 1515 P C -1.187 176.331 177.300 0.362 0.000 1.264 1515 P CA -0.201 63.039 63.100 0.233 0.000 0.795 1515 P CB 0.265 32.104 31.700 0.232 0.000 1.064 1516 H N -0.171 119.041 119.070 0.238 0.000 2.594 1516 H HA 0.252 4.808 4.556 0.001 0.000 0.304 1516 H C -1.191 174.344 175.328 0.345 0.000 1.068 1516 H CA -0.472 55.744 56.048 0.280 0.000 1.308 1516 H CB 0.162 30.038 29.762 0.191 0.000 1.409 1516 H HN 0.306 nan 8.280 nan 0.000 0.460 1517 W N 10.273 131.405 121.300 -0.280 0.000 2.311 1517 W HA 0.294 4.955 4.660 0.001 0.000 0.317 1517 W C -2.735 173.608 176.519 -0.294 0.000 1.065 1517 W CA -3.161 54.061 57.345 -0.206 0.000 1.364 1517 W CB 0.563 29.895 29.460 -0.213 0.000 1.233 1517 W HN 0.565 nan 8.180 nan 0.000 0.409 1518 P HA 0.035 nan 4.420 nan 0.000 0.272 1518 P C -0.232 177.198 177.300 0.217 0.000 1.230 1518 P CA 0.144 63.380 63.100 0.227 0.000 0.788 1518 P CB 1.445 33.299 31.700 0.257 0.000 0.949 1519 E N 0.804 121.000 120.200 -0.007 0.000 2.371 1519 E HA 0.011 4.362 4.350 0.001 0.000 0.257 1519 E C -0.872 175.636 176.600 -0.154 0.000 1.134 1519 E CA -0.545 55.595 56.400 -0.433 0.000 0.919 1519 E CB 0.272 29.774 29.700 -0.331 0.000 1.025 1519 E HN 0.368 nan 8.360 nan 0.000 0.438 1520 Y N 4.386 124.486 120.300 -0.335 0.000 2.736 1520 Y HA 0.084 4.634 4.550 0.001 0.000 0.339 1520 Y C -0.124 175.737 175.900 -0.066 0.000 1.301 1520 Y CA -0.509 57.524 58.100 -0.111 0.000 1.676 1520 Y CB -0.799 37.607 38.460 -0.090 0.000 1.725 1520 Y HN 0.462 nan 8.280 nan 0.000 0.466 1521 N N -0.408 118.184 118.700 -0.181 0.000 2.483 1521 N HA 0.018 4.758 4.740 0.001 0.000 0.278 1521 N C 0.967 176.346 175.510 -0.218 0.000 1.355 1521 N CA 0.039 53.006 53.050 -0.139 0.000 0.896 1521 N CB 0.027 38.471 38.487 -0.071 0.000 1.100 1521 N HN 0.190 nan 8.380 nan 0.000 0.460 1522 Q N -0.519 119.204 119.800 -0.129 0.000 2.187 1522 Q HA 0.061 4.402 4.340 0.001 0.000 0.199 1522 Q C 1.349 177.271 176.000 -0.129 0.000 0.957 1522 Q CA 1.142 56.875 55.803 -0.117 0.000 0.857 1522 Q CB -0.307 28.398 28.738 -0.056 0.000 0.929 1522 Q HN 0.488 nan 8.270 nan 0.000 0.453 1523 K N 1.078 121.414 120.400 -0.106 0.000 2.442 1523 K HA -0.051 4.270 4.320 0.001 0.000 0.198 1523 K C -0.046 176.491 176.600 -0.105 0.000 1.042 1523 K CA 0.106 56.352 56.287 -0.069 0.000 0.958 1523 K CB 0.085 32.571 32.500 -0.024 0.000 0.766 1523 K HN 0.206 nan 8.250 nan 0.000 0.474 1524 E N -0.138 119.892 120.200 -0.284 0.000 2.228 1524 E HA -0.178 4.172 4.350 0.001 0.000 0.213 1524 E C 0.010 176.591 176.600 -0.032 0.000 1.282 1524 E CA 0.236 56.325 56.400 -0.518 0.000 0.707 1524 E CB -1.809 27.673 29.700 -0.362 0.000 1.150 1524 E HN 0.491 nan 8.360 nan 0.000 0.362 1525 G N 0.836 109.664 108.800 0.047 0.000 2.444 1525 G HA2 0.438 4.398 3.960 0.001 0.000 0.268 1525 G HA3 0.438 4.398 3.960 0.001 0.000 0.268 1525 G C -0.352 174.807 174.900 0.432 0.000 1.203 1525 G CA -0.143 45.076 45.100 0.199 0.000 0.835 1525 G HN 0.323 nan 8.290 nan 0.000 0.543 1526 Y N -0.214 120.216 120.300 0.217 0.000 2.644 1526 Y HA 0.735 5.286 4.550 0.001 0.000 0.338 1526 Y C -1.407 174.485 175.900 -0.013 0.000 1.119 1526 Y CA -1.839 56.391 58.100 0.217 0.000 1.060 1526 Y CB 1.655 40.232 38.460 0.195 0.000 1.294 1526 Y HN 0.534 nan 8.280 nan 0.000 0.472 1527 L N 2.163 123.263 121.223 -0.205 0.000 2.317 1527 L HA 0.475 4.815 4.340 0.001 0.000 0.281 1527 L C -0.712 176.027 176.870 -0.218 0.000 1.024 1527 L CA -0.440 54.056 54.840 -0.573 0.000 0.810 1527 L CB 1.841 42.971 42.059 -1.549 0.000 1.240 1527 L HN 0.794 nan 8.230 nan 0.000 0.427 1528 Q N 5.368 125.052 119.800 -0.193 0.000 2.465 1528 Q HA 0.437 4.778 4.340 0.001 0.000 0.237 1528 Q C -0.943 175.022 176.000 -0.058 0.000 1.051 1528 Q CA -0.218 55.570 55.803 -0.025 0.000 0.874 1528 Q CB 0.856 29.575 28.738 -0.030 0.000 1.207 1528 Q HN 0.584 nan 8.270 nan 0.000 0.508 1529 I N 1.590 122.146 120.570 -0.023 0.000 2.428 1529 I HA 0.578 4.749 4.170 0.001 0.000 0.289 1529 I C 0.855 176.887 176.117 -0.141 0.000 1.019 1529 I CA -0.007 61.274 61.300 -0.032 0.000 1.351 1529 I CB 1.223 39.268 38.000 0.075 0.000 1.412 1529 I HN 0.672 nan 8.210 nan 0.000 0.513 1530 G N 3.109 111.814 108.800 -0.158 0.000 2.360 1530 G HA2 0.337 4.297 3.960 0.001 0.000 0.276 1530 G HA3 0.337 4.297 3.960 0.001 0.000 0.276 1530 G C 0.213 175.055 174.900 -0.097 0.000 1.256 1530 G CA -0.027 44.944 45.100 -0.215 0.000 0.890 1530 G HN 0.582 nan 8.290 nan 0.000 0.486 1531 A N -0.606 122.239 122.820 0.042 0.000 1.940 1531 A HA 0.099 4.420 4.320 0.001 0.000 0.219 1531 A C 0.934 178.526 177.584 0.013 0.000 1.176 1531 A CA 1.709 53.785 52.037 0.065 0.000 0.631 1531 A CB -0.378 18.711 19.000 0.149 0.000 0.814 1531 A HN 0.500 nan 8.150 nan 0.000 0.446 1532 N N 0.619 119.322 118.700 0.004 0.000 2.626 1532 N HA 0.247 4.987 4.740 0.001 0.000 0.249 1532 N C -1.380 174.124 175.510 -0.010 0.000 1.021 1532 N CA -0.007 53.043 53.050 0.000 0.000 0.886 1532 N CB 1.318 39.806 38.487 0.002 0.000 1.149 1532 N HN 0.071 nan 8.380 nan 0.000 0.517 1533 T N 2.985 117.537 114.554 -0.004 0.000 2.771 1533 T HA 0.356 4.706 4.350 0.001 0.000 0.291 1533 T C 0.268 174.964 174.700 -0.006 0.000 0.954 1533 T CA -0.442 61.654 62.100 -0.007 0.000 1.045 1533 T CB 0.905 69.793 68.868 0.033 0.000 0.917 1533 T HN 0.423 nan 8.240 nan 0.000 0.484 1534 Q N 1.336 121.109 119.800 -0.045 0.000 2.633 1534 Q HA 0.657 4.998 4.340 0.001 0.000 0.289 1534 Q C -1.519 174.406 176.000 -0.126 0.000 0.940 1534 Q CA -1.185 54.590 55.803 -0.047 0.000 0.785 1534 Q CB 1.405 30.126 28.738 -0.029 0.000 1.467 1534 Q HN 0.599 nan 8.270 nan 0.000 0.401 1535 A N 0.420 123.175 122.820 -0.108 0.000 2.304 1535 A HA 0.898 5.219 4.320 0.001 0.000 0.271 1535 A C -0.329 177.092 177.584 -0.271 0.000 1.091 1535 A CA 0.474 52.398 52.037 -0.187 0.000 0.812 1535 A CB 0.467 19.440 19.000 -0.045 0.000 1.056 1535 A HN 1.233 nan 8.150 nan 0.000 0.489 1536 A N 0.165 122.689 122.820 -0.493 0.000 2.529 1536 A HA 0.732 5.052 4.320 0.001 0.000 0.296 1536 A C -1.037 176.315 177.584 -0.385 0.000 1.205 1536 A CA -0.621 51.118 52.037 -0.497 0.000 0.671 1536 A CB 0.932 19.508 19.000 -0.707 0.000 1.301 1536 A HN 0.830 nan 8.150 nan 0.000 0.450 1537 Q N 0.114 119.902 119.800 -0.021 0.000 2.484 1537 Q HA 0.527 4.868 4.340 0.001 0.000 0.285 1537 Q C -1.357 174.904 176.000 0.436 0.000 1.097 1537 Q CA -1.145 54.792 55.803 0.222 0.000 0.802 1537 Q CB 1.783 30.580 28.738 0.099 0.000 1.444 1537 Q HN 0.646 nan 8.270 nan 0.000 0.429 1538 K N 1.275 121.862 120.400 0.312 0.000 5.502 1538 K HA -0.216 4.105 4.320 0.001 0.000 0.379 1538 K C -0.843 175.846 176.600 0.147 0.000 0.908 1538 K CA 0.018 56.427 56.287 0.203 0.000 1.130 1538 K CB -0.917 31.661 32.500 0.130 0.000 1.893 1538 K HN 0.396 nan 8.250 nan 0.000 0.379 1539 L N 3.366 124.558 121.223 -0.052 0.000 2.319 1539 L HA 0.137 4.477 4.340 0.001 0.000 0.280 1539 L C 0.564 177.373 176.870 -0.102 0.000 1.099 1539 L CA 0.272 54.894 54.840 -0.364 0.000 0.828 1539 L CB 0.740 42.324 42.059 -0.791 0.000 1.150 1539 L HN 0.421 nan 8.230 nan 0.000 0.442 1540 K N 2.712 123.086 120.400 -0.043 0.000 3.048 1540 K HA -0.298 4.022 4.320 0.001 0.000 0.274 1540 K C 0.998 177.653 176.600 0.090 0.000 1.098 1540 K CA 1.201 57.516 56.287 0.047 0.000 0.807 1540 K CB -1.413 31.120 32.500 0.055 0.000 1.217 1540 K HN 0.956 nan 8.250 nan 0.000 0.477 1541 D N 1.222 121.669 120.400 0.078 0.000 2.116 1541 D HA -0.196 4.445 4.640 0.001 0.000 0.193 1541 D C 1.748 178.113 176.300 0.110 0.000 0.998 1541 D CA 1.825 55.882 54.000 0.096 0.000 0.836 1541 D CB 0.219 41.071 40.800 0.085 0.000 0.951 1541 D HN 0.586 nan 8.370 nan 0.000 0.449 1542 K N 0.475 120.932 120.400 0.094 0.000 1.985 1542 K HA -0.204 4.116 4.320 0.001 0.000 0.210 1542 K C 2.060 178.753 176.600 0.155 0.000 1.047 1542 K CA 1.620 57.960 56.287 0.089 0.000 0.932 1542 K CB -0.022 32.497 32.500 0.032 0.000 0.716 1542 K HN -0.078 nan 8.250 nan 0.000 0.439 1543 E N 0.548 120.864 120.200 0.192 0.000 2.118 1543 E HA -0.158 4.192 4.350 0.001 0.000 0.195 1543 E C 1.956 178.861 176.600 0.510 0.000 0.992 1543 E CA 1.301 57.929 56.400 0.381 0.000 0.804 1543 E CB -0.189 29.770 29.700 0.431 0.000 0.741 1543 E HN 0.124 nan 8.360 nan 0.000 0.458 1544 V N 0.926 121.038 119.914 0.331 0.000 2.295 1544 V HA -0.289 3.832 4.120 0.001 0.000 0.246 1544 V C 2.222 178.474 176.094 0.264 0.000 1.049 1544 V CA 1.864 64.337 62.300 0.288 0.000 1.024 1544 V CB -0.897 31.034 31.823 0.179 0.000 0.648 1544 V HN 0.384 nan 8.190 nan 0.000 0.447 1545 A N -0.195 122.750 122.820 0.208 0.000 1.883 1545 A HA -0.258 4.062 4.320 0.001 0.000 0.217 1545 A C 2.108 179.789 177.584 0.162 0.000 1.186 1545 A CA 2.200 54.331 52.037 0.158 0.000 0.624 1545 A CB -0.783 18.292 19.000 0.125 0.000 0.822 1545 A HN 0.528 nan 8.150 nan 0.000 0.444 1546 F N -0.616 119.356 119.950 0.038 0.000 2.011 1546 F HA -0.248 4.280 4.527 0.001 0.000 0.296 1546 F C 2.084 177.853 175.800 -0.052 0.000 1.144 1546 F CA 2.063 60.018 58.000 -0.076 0.000 1.185 1546 F CB -1.011 37.863 39.000 -0.210 0.000 0.961 1546 F HN 0.385 nan 8.300 nan 0.000 0.485 1547 W N 0.760 121.952 121.300 -0.179 0.000 2.321 1547 W HA -0.244 4.416 4.660 0.000 0.000 0.306 1547 W C 2.642 179.122 176.519 -0.067 0.000 1.217 1547 W CA 2.033 59.226 57.345 -0.253 0.000 1.257 1547 W CB -1.273 28.275 29.460 0.147 0.000 1.145 1547 W HN -0.011 nan 8.180 nan 0.000 0.509 1548 T N 0.480 115.187 114.554 0.256 0.000 2.737 1548 T HA -0.236 4.114 4.350 0.001 0.000 0.269 1548 T C 1.411 176.167 174.700 0.093 0.000 1.040 1548 T CA 1.708 63.923 62.100 0.192 0.000 1.142 1548 T CB -0.444 68.504 68.868 0.133 0.000 0.861 1548 T HN 0.159 nan 8.240 nan 0.000 0.456 1549 N N 1.286 119.967 118.700 -0.033 0.000 2.083 1549 N HA -0.010 4.731 4.740 0.001 0.000 0.190 1549 N C 1.836 177.255 175.510 -0.151 0.000 1.047 1549 N CA 0.699 53.697 53.050 -0.086 0.000 0.845 1549 N CB -0.945 37.473 38.487 -0.114 0.000 1.025 1549 N HN 0.195 nan 8.380 nan 0.000 0.428 1550 L N 0.832 121.825 121.223 -0.384 0.000 2.021 1550 L HA -0.110 4.231 4.340 0.001 0.000 0.215 1550 L C 1.930 178.661 176.870 -0.232 0.000 1.074 1550 L CA 1.583 56.166 54.840 -0.429 0.000 0.760 1550 L CB -1.009 40.547 42.059 -0.838 0.000 0.889 1550 L HN 0.094 nan 8.230 nan 0.000 0.433 1551 F N -0.583 119.337 119.950 -0.050 0.000 2.451 1551 F HA -0.069 4.458 4.527 0.000 0.000 0.299 1551 F C 2.356 178.153 175.800 -0.005 0.000 1.101 1551 F CA 0.528 58.534 58.000 0.010 0.000 1.436 1551 F CB -0.447 38.575 39.000 0.036 0.000 1.074 1551 F HN 0.232 nan 8.300 nan 0.000 0.553 1552 A N -0.224 122.679 122.820 0.137 0.000 2.186 1552 A HA -0.151 4.170 4.320 0.001 0.000 0.219 1552 A C 1.685 179.306 177.584 0.062 0.000 1.159 1552 A CA 0.730 52.816 52.037 0.081 0.000 0.680 1552 A CB -0.475 18.548 19.000 0.039 0.000 0.787 1552 A HN 0.081 nan 8.150 nan 0.000 0.467 1553 K N 0.000 120.435 120.400 0.058 0.000 2.780 1553 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1553 K CA 0.000 56.313 56.287 0.044 0.000 0.838 1553 K CB 0.000 32.516 32.500 0.026 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543