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 1gw7_1_J DATA FIRST_RESID 1015 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT E 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 1015 L HA 0.000 nan 4.340 nan 0.000 0.249 1015 L C 0.000 176.872 176.870 0.003 0.000 1.165 1015 L CA 0.000 54.843 54.840 0.005 0.000 0.813 1015 L CB 0.000 42.062 42.059 0.005 0.000 0.961 1016 R N 0.151 120.652 120.500 0.003 0.000 2.366 1016 R HA 0.246 4.586 4.340 0.000 0.000 0.201 1016 R C 1.590 177.889 176.300 -0.001 0.000 1.057 1016 R CA 2.223 58.324 56.100 0.001 0.000 1.086 1016 R CB -1.962 28.339 30.300 0.003 0.000 0.914 1016 R HN 1.969 nan 8.270 nan 0.000 0.476 1017 N N -0.451 118.248 118.700 -0.002 0.000 2.135 1017 N HA -0.173 4.567 4.740 0.000 0.000 0.186 1017 N C 2.489 177.993 175.510 -0.009 0.000 1.027 1017 N CA 1.921 54.967 53.050 -0.006 0.000 0.849 1017 N CB -0.760 37.724 38.487 -0.005 0.000 1.002 1017 N HN 0.745 nan 8.380 nan 0.000 0.425 1018 Q N 0.241 120.037 119.800 -0.007 0.000 2.133 1018 Q HA -0.328 4.012 4.340 0.000 0.000 0.208 1018 Q C 2.140 178.134 176.000 -0.009 0.000 0.991 1018 Q CA 2.255 58.053 55.803 -0.009 0.000 0.867 1018 Q CB -1.082 27.652 28.738 -0.006 0.000 0.911 1018 Q HN 0.955 nan 8.270 nan 0.000 0.417 1019 Q N -0.549 119.247 119.800 -0.006 0.000 2.079 1019 Q HA 0.061 4.401 4.340 0.000 0.000 0.200 1019 Q C 2.568 178.563 176.000 -0.007 0.000 0.974 1019 Q CA 1.203 57.003 55.803 -0.005 0.000 0.840 1019 Q CB -0.239 28.498 28.738 -0.002 0.000 0.898 1019 Q HN 0.724 nan 8.270 nan 0.000 0.430 1020 A N 1.264 124.079 122.820 -0.008 0.000 1.877 1020 A HA -0.172 4.148 4.320 0.000 0.000 0.216 1020 A C 2.141 179.715 177.584 -0.018 0.000 1.186 1020 A CA 1.463 53.494 52.037 -0.011 0.000 0.620 1020 A CB -0.512 18.482 19.000 -0.011 0.000 0.822 1020 A HN 0.269 nan 8.150 nan 0.000 0.443 1021 M N -0.603 118.983 119.600 -0.022 0.000 2.132 1021 M HA -0.108 4.372 4.480 0.000 0.000 0.263 1021 M C 2.558 178.843 176.300 -0.026 0.000 1.065 1021 M CA 1.345 56.627 55.300 -0.031 0.000 1.122 1021 M CB -0.516 32.063 32.600 -0.034 0.000 1.365 1021 M HN 0.479 nan 8.290 nan 0.000 0.411 1022 A N 0.666 123.475 122.820 -0.018 0.000 1.902 1022 A HA -0.066 4.254 4.320 0.000 0.000 0.217 1022 A C 2.399 179.976 177.584 -0.012 0.000 1.181 1022 A CA 2.043 54.071 52.037 -0.014 0.000 0.623 1022 A CB -0.897 18.097 19.000 -0.010 0.000 0.818 1022 A HN 0.491 nan 8.150 nan 0.000 0.443 1023 A N 0.215 123.029 122.820 -0.010 0.000 1.873 1023 A HA -0.195 4.125 4.320 0.000 0.000 0.215 1023 A C 1.959 179.538 177.584 -0.009 0.000 1.186 1023 A CA 2.049 54.082 52.037 -0.006 0.000 0.616 1023 A CB -0.848 18.150 19.000 -0.003 0.000 0.823 1023 A HN 0.657 nan 8.150 nan 0.000 0.442 1024 N N -0.272 118.418 118.700 -0.016 0.000 2.036 1024 N HA -0.199 4.541 4.740 0.000 0.000 0.195 1024 N C 1.583 177.078 175.510 -0.025 0.000 1.037 1024 N CA 1.898 54.934 53.050 -0.023 0.000 0.855 1024 N CB -0.363 38.102 38.487 -0.037 0.000 1.033 1024 N HN 0.294 nan 8.380 nan 0.000 0.423 1025 L N 1.090 122.296 121.223 -0.028 0.000 2.079 1025 L HA -0.135 4.205 4.340 0.000 0.000 0.210 1025 L C 2.338 179.197 176.870 -0.018 0.000 1.081 1025 L CA 1.785 56.609 54.840 -0.027 0.000 0.752 1025 L CB -1.153 40.889 42.059 -0.027 0.000 0.896 1025 L HN 0.432 nan 8.230 nan 0.000 0.433 1026 Q N -0.918 118.874 119.800 -0.013 0.000 2.079 1026 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 1026 Q C 2.119 178.116 176.000 -0.005 0.000 0.974 1026 Q CA 1.710 57.509 55.803 -0.007 0.000 0.840 1026 Q CB -0.180 28.556 28.738 -0.003 0.000 0.898 1026 Q HN 0.624 nan 8.270 nan 0.000 0.430 1027 A N 1.351 124.169 122.820 -0.004 0.000 1.933 1027 A HA -0.210 4.110 4.320 0.000 0.000 0.218 1027 A C 2.134 179.715 177.584 -0.006 0.000 1.175 1027 A CA 1.465 53.503 52.037 0.000 0.000 0.628 1027 A CB -0.681 18.321 19.000 0.004 0.000 0.814 1027 A HN 0.436 nan 8.150 nan 0.000 0.444 1028 R N -0.278 120.214 120.500 -0.013 0.000 2.073 1028 R HA -0.187 4.153 4.340 0.000 0.000 0.234 1028 R C 2.286 178.576 176.300 -0.016 0.000 1.134 1028 R CA 1.880 57.969 56.100 -0.018 0.000 0.952 1028 R CB -0.357 29.928 30.300 -0.024 0.000 0.850 1028 R HN 0.695 nan 8.270 nan 0.000 0.433 1029 Q N 0.098 119.890 119.800 -0.014 0.000 2.124 1029 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 1029 Q C 2.274 178.268 176.000 -0.010 0.000 0.977 1029 Q CA 1.526 57.322 55.803 -0.013 0.000 0.850 1029 Q CB -0.091 28.640 28.738 -0.011 0.000 0.901 1029 Q HN 0.475 nan 8.270 nan 0.000 0.429 1030 I N 0.166 120.733 120.570 -0.005 0.000 2.252 1030 I HA -0.232 3.938 4.170 0.000 0.000 0.245 1030 I C 2.307 178.422 176.117 -0.002 0.000 1.102 1030 I CA 0.744 62.044 61.300 0.001 0.000 1.385 1030 I CB -0.265 37.740 38.000 0.009 0.000 1.064 1030 I HN 0.008 nan 8.210 nan 0.000 0.414 1031 V N 1.203 121.111 119.914 -0.009 0.000 2.295 1031 V HA -0.275 3.845 4.120 0.000 0.000 0.246 1031 V C 2.406 178.487 176.094 -0.022 0.000 1.049 1031 V CA 1.759 64.048 62.300 -0.018 0.000 1.024 1031 V CB -0.437 31.370 31.823 -0.027 0.000 0.648 1031 V HN 0.360 nan 8.190 nan 0.000 0.447 1032 L N -0.369 120.839 121.223 -0.025 0.000 2.083 1032 L HA -0.239 4.101 4.340 0.000 0.000 0.209 1032 L C 2.623 179.472 176.870 -0.034 0.000 1.083 1032 L CA 1.985 56.803 54.840 -0.036 0.000 0.752 1032 L CB -0.563 41.474 42.059 -0.036 0.000 0.899 1032 L HN 0.439 nan 8.230 nan 0.000 0.433 1033 Q N -0.603 119.186 119.800 -0.019 0.000 2.083 1033 Q HA -0.194 4.146 4.340 0.000 0.000 0.198 1033 Q C 2.165 178.168 176.000 0.006 0.000 0.969 1033 Q CA 1.138 56.935 55.803 -0.009 0.000 0.838 1033 Q CB 0.213 28.949 28.738 -0.003 0.000 0.900 1033 Q HN 0.458 nan 8.270 nan 0.000 0.436 1034 Q N 0.299 120.105 119.800 0.010 0.000 2.250 1034 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 1034 Q C 1.237 177.263 176.000 0.043 0.000 0.941 1034 Q CA 0.747 56.566 55.803 0.028 0.000 0.872 1034 Q CB 0.428 29.182 28.738 0.026 0.000 0.965 1034 Q HN 0.346 nan 8.270 nan 0.000 0.480 1035 S N -0.562 115.153 115.700 0.025 0.000 2.634 1035 S HA 0.318 4.788 4.470 0.000 0.000 0.261 1035 S C -0.579 174.066 174.600 0.075 0.000 1.271 1035 S CA -0.631 57.594 58.200 0.042 0.000 0.985 1035 S CB 0.780 63.983 63.200 0.004 0.000 0.968 1035 S HN 0.205 nan 8.310 nan 0.000 0.568 1036 Y N 0.841 121.121 120.300 -0.034 0.000 2.391 1036 Y HA 0.524 5.074 4.550 -0.000 0.000 0.341 1036 Y C -2.829 173.015 175.900 -0.093 0.000 0.965 1036 Y CA -2.285 55.784 58.100 -0.051 0.000 1.067 1036 Y CB 1.908 40.343 38.460 -0.041 0.000 1.199 1036 Y HN 0.517 nan 8.280 nan 0.000 0.450 1037 P HA 0.233 nan 4.420 nan 0.000 0.276 1037 P C -1.400 175.743 177.300 -0.260 0.000 1.230 1037 P CA 0.032 62.915 63.100 -0.361 0.000 0.776 1037 P CB 1.055 32.516 31.700 -0.400 0.000 0.888 1038 V N 4.742 124.442 119.914 -0.357 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.275 175.629 176.094 -0.317 0.000 1.077 1038 V CA -0.633 61.449 62.300 -0.364 0.000 0.910 1038 V CB 2.345 33.755 31.823 -0.688 0.000 1.008 1038 V HN 0.472 nan 8.190 nan 0.000 0.424 1039 I N 3.702 124.224 120.570 -0.079 0.000 2.418 1039 I HA 0.627 4.797 4.170 0.000 0.000 0.287 1039 I C -0.745 175.490 176.117 0.196 0.000 1.008 1039 I CA -0.094 61.250 61.300 0.074 0.000 1.104 1039 I CB 1.521 39.557 38.000 0.060 0.000 1.264 1039 I HN 0.843 nan 8.210 nan 0.000 0.438 1040 Q N 6.675 126.679 119.800 0.339 0.000 2.331 1040 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 1040 Q C -1.442 174.783 176.000 0.376 0.000 1.062 1040 Q CA -0.756 55.269 55.803 0.369 0.000 0.806 1040 Q CB 2.246 31.200 28.738 0.360 0.000 1.312 1040 Q HN 0.728 nan 8.270 nan 0.000 0.431 1041 Q N 2.041 121.995 119.800 0.257 0.000 2.311 1041 Q HA 0.165 4.505 4.340 0.000 0.000 0.272 1041 Q C 0.202 176.213 176.000 0.019 0.000 1.012 1041 Q CA 0.178 55.926 55.803 -0.092 0.000 0.891 1041 Q CB 0.976 29.584 28.738 -0.217 0.000 1.201 1041 Q HN 0.643 nan 8.270 nan 0.000 0.391 1042 V N 0.086 120.006 119.914 0.011 0.000 3.572 1042 V HA 0.431 4.551 4.120 0.000 0.000 0.260 1042 V C 0.074 176.182 176.094 0.023 0.000 1.324 1042 V CA 0.423 62.759 62.300 0.060 0.000 1.068 1042 V CB 0.404 32.304 31.823 0.128 0.000 0.837 1042 V HN 0.834 nan 8.190 nan 0.000 0.450 1043 E N -0.616 119.575 120.200 -0.014 0.000 2.400 1043 E HA 0.521 4.871 4.350 0.000 0.000 0.285 1043 E C -1.581 174.962 176.600 -0.094 0.000 1.005 1043 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 1043 E CB 2.197 31.940 29.700 0.071 0.000 1.220 1043 E HN 0.270 nan 8.360 nan 0.000 0.426 1044 T N 2.556 116.992 114.554 -0.198 0.000 2.909 1044 T HA 0.559 4.909 4.350 0.000 0.000 0.299 1044 T C -1.391 173.007 174.700 -0.503 0.000 1.073 1044 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 1044 T CB 1.780 70.514 68.868 -0.223 0.000 1.098 1044 T HN 0.475 nan 8.240 nan 0.000 0.477 1045 Q N 0.790 120.107 119.800 -0.806 0.000 2.438 1045 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 1045 Q C -1.824 173.880 176.000 -0.493 0.000 0.994 1045 Q CA -0.583 54.824 55.803 -0.660 0.000 0.887 1045 Q CB 1.928 30.168 28.738 -0.830 0.000 1.432 1045 Q HN 0.657 nan 8.270 nan 0.000 0.392 1046 T N 3.626 118.050 114.554 -0.217 0.000 2.841 1046 T HA 0.815 5.165 4.350 0.000 0.000 0.283 1046 T C -1.156 173.563 174.700 0.032 0.000 1.000 1046 T CA -0.400 61.612 62.100 -0.146 0.000 0.977 1046 T CB 0.469 69.254 68.868 -0.138 0.000 0.979 1046 T HN 0.476 nan 8.240 nan 0.000 0.446 1047 F N -0.498 119.357 119.950 -0.158 0.000 2.779 1047 F HA 0.740 5.267 4.527 0.000 0.000 0.316 1047 F C -1.732 174.051 175.800 -0.028 0.000 1.164 1047 F CA -1.262 56.710 58.000 -0.046 0.000 0.924 1047 F CB 1.242 40.281 39.000 0.064 0.000 1.348 1047 F HN 0.330 nan 8.300 nan 0.000 0.467 1048 D N 1.373 121.854 120.400 0.136 0.000 2.381 1048 D HA 0.426 5.066 4.640 0.000 0.000 0.235 1048 D C -2.171 174.266 176.300 0.228 0.000 1.068 1048 D CA -2.405 51.626 54.000 0.052 0.000 0.832 1048 D CB 2.294 43.146 40.800 0.087 0.000 1.101 1048 D HN 0.204 nan 8.370 nan 0.000 0.515 1049 P HA -0.117 nan 4.420 nan 0.000 0.220 1049 P C 0.905 178.331 177.300 0.211 0.000 1.144 1049 P CA 0.999 64.237 63.100 0.231 0.000 0.800 1049 P CB 0.312 32.021 31.700 0.015 0.000 0.772 1050 A N -0.727 122.203 122.820 0.183 0.000 2.015 1050 A HA -0.174 4.146 4.320 0.000 0.000 0.219 1050 A C 2.057 179.714 177.584 0.122 0.000 1.163 1050 A CA 1.584 53.711 52.037 0.149 0.000 0.646 1050 A CB -0.827 18.250 19.000 0.129 0.000 0.806 1050 A HN 0.163 nan 8.150 nan 0.000 0.448 1051 N N -1.414 117.368 118.700 0.137 0.000 2.387 1051 N HA 0.102 4.842 4.740 0.000 0.000 0.176 1051 N C 0.752 176.302 175.510 0.067 0.000 1.022 1051 N CA 0.579 53.689 53.050 0.100 0.000 0.883 1051 N CB 0.202 38.755 38.487 0.110 0.000 1.019 1051 N HN 0.558 nan 8.380 nan 0.000 0.435 1052 R N -0.738 119.827 120.500 0.107 0.000 2.664 1052 R HA 0.264 4.604 4.340 0.000 0.000 0.266 1052 R C -0.923 175.377 176.300 -0.000 0.000 1.046 1052 R CA -0.071 55.999 56.100 -0.049 0.000 0.885 1052 R CB 0.737 30.896 30.300 -0.234 0.000 1.254 1052 R HN 0.060 nan 8.270 nan 0.000 0.465 1053 S N 0.102 115.723 115.700 -0.133 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.675 173.939 174.600 0.024 0.000 1.029 1053 S CA -0.318 57.933 58.200 0.086 0.000 1.302 1053 S CB 0.857 64.183 63.200 0.211 0.000 1.212 1053 S HN 0.146 nan 8.310 nan 0.000 0.683 1054 V N 2.884 122.581 119.914 -0.362 0.000 2.448 1054 V HA 0.678 4.798 4.120 0.000 0.000 0.295 1054 V C -1.342 174.365 176.094 -0.644 0.000 1.025 1054 V CA -0.422 61.700 62.300 -0.298 0.000 0.859 1054 V CB 0.996 32.685 31.823 -0.223 0.000 0.988 1054 V HN 0.425 nan 8.190 nan 0.000 0.431 1055 F N 2.142 122.019 119.950 -0.122 0.000 2.576 1055 F HA 0.509 5.036 4.527 -0.000 0.000 0.313 1055 F C -0.074 175.645 175.800 -0.136 0.000 1.078 1055 F CA -0.847 57.083 58.000 -0.117 0.000 0.921 1055 F CB 1.966 40.911 39.000 -0.092 0.000 1.232 1055 F HN 0.382 nan 8.300 nan 0.000 0.459 1056 D N 2.591 123.026 120.400 0.059 0.000 2.453 1056 D HA 0.361 5.001 4.640 0.000 0.000 0.238 1056 D C -1.178 175.128 176.300 0.010 0.000 1.088 1056 D CA -0.086 53.905 54.000 -0.016 0.000 0.854 1056 D CB 1.648 42.415 40.800 -0.056 0.000 1.076 1056 D HN 0.219 nan 8.370 nan 0.000 0.533 1057 V N 3.363 123.256 119.914 -0.035 0.000 2.546 1057 V HA 0.276 4.396 4.120 0.000 0.000 0.284 1057 V C 0.688 176.743 176.094 -0.064 0.000 1.050 1057 V CA -0.223 62.060 62.300 -0.027 0.000 0.981 1057 V CB 1.681 33.457 31.823 -0.077 0.000 0.990 1057 V HN 0.530 nan 8.190 nan 0.000 0.474 1058 T N 7.279 121.819 114.554 -0.023 0.000 2.801 1058 T HA 0.384 4.734 4.350 0.000 0.000 0.306 1058 T C -2.332 172.373 174.700 0.009 0.000 1.020 1058 T CA -0.868 61.219 62.100 -0.022 0.000 0.948 1058 T CB 1.201 70.063 68.868 -0.010 0.000 0.962 1058 T HN 0.474 nan 8.240 nan 0.000 0.465 1059 P HA 0.386 nan 4.420 nan 0.000 0.273 1059 P C -0.712 176.647 177.300 0.098 0.000 1.250 1059 P CA -0.562 62.623 63.100 0.142 0.000 0.793 1059 P CB 0.473 32.360 31.700 0.312 0.000 1.011 1060 A N 1.176 124.046 122.820 0.084 0.000 2.327 1060 A HA 0.228 4.548 4.320 0.000 0.000 0.283 1060 A C 0.013 177.574 177.584 -0.040 0.000 1.127 1060 A CA -0.472 51.562 52.037 -0.004 0.000 0.810 1060 A CB -0.381 18.583 19.000 -0.059 0.000 1.066 1060 A HN 0.572 nan 8.150 nan 0.000 0.492 1061 N N 0.923 119.600 118.700 -0.037 0.000 2.868 1061 N HA 0.362 5.102 4.740 0.000 0.000 0.252 1061 N C -1.165 174.297 175.510 -0.080 0.000 1.130 1061 N CA -0.029 53.001 53.050 -0.032 0.000 1.026 1061 N CB 0.935 39.422 38.487 0.000 0.000 1.335 1061 N HN 0.390 nan 8.380 nan 0.000 0.516 1062 V N 1.562 121.370 119.914 -0.176 0.000 2.733 1062 V HA 0.676 4.796 4.120 0.000 0.000 0.306 1062 V C 0.634 176.623 176.094 -0.176 0.000 1.084 1062 V CA 0.176 62.349 62.300 -0.211 0.000 0.905 1062 V CB 0.941 32.536 31.823 -0.379 0.000 1.010 1062 V HN 0.759 nan 8.190 nan 0.000 0.424 1063 G N 6.260 115.041 108.800 -0.032 0.000 2.594 1063 G HA2 -0.265 3.695 3.960 0.000 0.000 0.297 1063 G HA3 -0.265 3.695 3.960 0.000 0.000 0.297 1063 G C -0.098 174.809 174.900 0.012 0.000 1.273 1063 G CA 0.539 45.649 45.100 0.017 0.000 0.974 1063 G HN 1.247 nan 8.290 nan 0.000 0.552 1064 I N 0.767 121.366 120.570 0.047 0.000 2.312 1064 I HA 0.374 4.544 4.170 0.000 0.000 0.290 1064 I C 0.392 176.550 176.117 0.067 0.000 1.008 1064 I CA -0.723 60.597 61.300 0.032 0.000 1.226 1064 I CB 1.567 39.572 38.000 0.008 0.000 1.371 1064 I HN 0.320 nan 8.210 nan 0.000 0.468 1065 V N 7.702 127.627 119.914 0.018 0.000 2.461 1065 V HA 0.183 4.303 4.120 0.000 0.000 0.275 1065 V C 0.925 176.958 176.094 -0.101 0.000 1.047 1065 V CA -0.282 61.991 62.300 -0.044 0.000 0.955 1065 V CB 1.115 32.866 31.823 -0.121 0.000 0.988 1065 V HN 0.753 nan 8.190 nan 0.000 0.471 1066 K N 2.927 123.269 120.400 -0.097 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.808 177.316 176.600 -0.152 0.000 1.052 1066 K CA 0.723 56.993 56.287 -0.030 0.000 0.984 1066 K CB 0.762 33.329 32.500 0.112 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.221 108.713 108.800 -0.513 0.000 2.320 1067 G HA2 0.389 4.349 3.960 0.000 0.000 0.296 1067 G HA3 0.389 4.349 3.960 0.000 0.000 0.296 1067 G C -1.975 172.059 174.900 -1.443 0.000 1.306 1067 G CA -0.996 43.439 45.100 -1.109 0.000 0.836 1067 G HN -0.002 nan 8.290 nan 0.000 0.517 1068 F N -0.454 118.894 119.950 -1.002 0.000 2.547 1068 F HA 0.642 5.169 4.527 -0.000 0.000 0.316 1068 F C -0.224 175.438 175.800 -0.230 0.000 1.121 1068 F CA -0.807 56.950 58.000 -0.405 0.000 0.911 1068 F CB 2.397 41.260 39.000 -0.228 0.000 1.179 1068 F HN 0.413 nan 8.300 nan 0.000 0.443 1069 L N 4.623 126.101 121.223 0.424 0.000 2.265 1069 L HA 0.698 5.038 4.340 0.000 0.000 0.289 1069 L C -1.035 176.173 176.870 0.563 0.000 1.033 1069 L CA -0.479 54.748 54.840 0.647 0.000 0.814 1069 L CB 1.075 43.566 42.059 0.720 0.000 1.203 1069 L HN 0.400 nan 8.230 nan 0.000 0.423 1070 V N 5.640 125.849 119.914 0.493 0.000 2.347 1070 V HA 0.400 4.520 4.120 0.000 0.000 0.280 1070 V C 0.042 176.331 176.094 0.325 0.000 1.021 1070 V CA -0.788 61.742 62.300 0.383 0.000 0.847 1070 V CB 1.181 33.162 31.823 0.263 0.000 0.990 1070 V HN 0.714 nan 8.190 nan 0.000 0.444 1071 K N 4.284 124.791 120.400 0.179 0.000 2.211 1071 K HA 0.703 5.023 4.320 0.000 0.000 0.275 1071 K C -1.389 175.209 176.600 -0.003 0.000 1.024 1071 K CA -0.388 55.749 56.287 -0.250 0.000 0.887 1071 K CB 1.594 33.956 32.500 -0.230 0.000 1.084 1071 K HN 0.504 nan 8.250 nan 0.000 0.463 1072 V N 3.530 123.427 119.914 -0.028 0.000 2.531 1072 V HA 0.360 4.480 4.120 0.000 0.000 0.301 1072 V C -0.377 175.748 176.094 0.052 0.000 1.034 1072 V CA -0.834 61.551 62.300 0.141 0.000 0.865 1072 V CB 1.670 33.703 31.823 0.351 0.000 0.995 1072 V HN 1.000 nan 8.190 nan 0.000 0.424 1073 T N 1.323 115.897 114.554 0.033 0.000 2.908 1073 T HA 0.957 5.307 4.350 0.000 0.000 0.290 1073 T C -0.490 174.227 174.700 0.028 0.000 1.034 1073 T CA -0.541 61.577 62.100 0.030 0.000 1.010 1073 T CB 2.270 71.143 68.868 0.008 0.000 1.068 1073 T HN 1.354 nan 8.240 nan 0.000 0.481 1074 A N 0.835 123.707 122.820 0.085 0.000 2.594 1074 A HA 0.908 5.228 4.320 0.000 0.000 0.295 1074 A C -0.950 176.726 177.584 0.152 0.000 1.071 1074 A CA -0.807 51.311 52.037 0.135 0.000 0.685 1074 A CB 1.271 20.456 19.000 0.308 0.000 1.285 1074 A HN 1.656 nan 8.150 nan 0.000 0.405 1075 A N 1.374 124.287 122.820 0.154 0.000 2.318 1075 A HA 0.765 5.085 4.320 0.000 0.000 0.317 1075 A C -0.829 176.821 177.584 0.110 0.000 1.159 1075 A CA -0.287 51.809 52.037 0.098 0.000 0.799 1075 A CB 0.363 19.392 19.000 0.047 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.101 122.681 120.570 0.017 0.000 2.406 1076 I HA 0.339 4.509 4.170 0.000 0.000 0.290 1076 I C -0.259 175.761 176.117 -0.161 0.000 0.999 1076 I CA -0.226 61.009 61.300 -0.107 0.000 1.124 1076 I CB 2.408 40.322 38.000 -0.142 0.000 1.289 1076 I HN 0.559 nan 8.210 nan 0.000 0.441 1077 T N 4.463 118.905 114.554 -0.186 0.000 2.771 1077 T HA 0.214 4.564 4.350 0.000 0.000 0.281 1077 T C -0.054 174.490 174.700 -0.260 0.000 0.982 1077 T CA -0.536 61.456 62.100 -0.179 0.000 0.978 1077 T CB 0.800 69.601 68.868 -0.111 0.000 0.930 1077 T HN 0.384 nan 8.240 nan 0.000 0.447 1078 N N 2.955 121.515 118.700 -0.233 0.000 2.521 1078 N HA 0.073 4.813 4.740 0.000 0.000 0.236 1078 N C 0.651 176.082 175.510 -0.132 0.000 1.067 1078 N CA -0.246 52.667 53.050 -0.228 0.000 0.939 1078 N CB 0.192 38.556 38.487 -0.205 0.000 1.201 1078 N HN 0.666 nan 8.380 nan 0.000 0.511 1079 N N 2.278 120.902 118.700 -0.125 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.192 175.285 175.510 -0.054 0.000 1.141 1079 N CA -0.205 52.795 53.050 -0.083 0.000 0.851 1079 N CB 0.104 38.538 38.487 -0.088 0.000 0.976 1079 N HN 0.566 nan 8.380 nan 0.000 0.465 1080 H N -0.308 118.695 119.070 -0.112 0.000 2.852 1080 H HA 0.168 4.724 4.556 0.000 0.000 0.362 1080 H C 1.241 176.530 175.328 -0.065 0.000 1.122 1080 H CA 0.741 56.739 56.048 -0.084 0.000 1.419 1080 H CB 1.345 31.056 29.762 -0.085 0.000 1.401 1080 H HN 0.177 nan 8.280 nan 0.000 0.609 1081 A N 2.399 125.012 122.820 -0.344 0.000 1.898 1081 A HA -0.111 4.209 4.320 0.000 0.000 0.216 1081 A C 1.880 179.493 177.584 0.047 0.000 1.181 1081 A CA 2.076 54.031 52.037 -0.136 0.000 0.620 1081 A CB -0.465 18.413 19.000 -0.204 0.000 0.819 1081 A HN 0.870 nan 8.150 nan 0.000 0.442 1082 T N -4.822 109.895 114.554 0.272 0.000 3.046 1082 T HA 0.206 4.556 4.350 0.000 0.000 0.270 1082 T C -0.074 174.703 174.700 0.130 0.000 0.920 1082 T CA -0.296 61.911 62.100 0.178 0.000 0.874 1082 T CB 0.205 69.140 68.868 0.111 0.000 1.214 1082 T HN 0.176 nan 8.240 nan 0.000 0.536 1083 E N 1.598 121.862 120.200 0.108 0.000 2.204 1083 E HA 0.755 5.105 4.350 0.000 0.000 0.276 1083 E C -0.252 176.237 176.600 -0.186 0.000 0.974 1083 E CA -0.450 55.819 56.400 -0.217 0.000 0.815 1083 E CB 2.017 31.366 29.700 -0.586 0.000 1.119 1083 E HN 0.516 nan 8.360 nan 0.000 0.393 1084 A N 1.906 124.653 122.820 -0.123 0.000 2.247 1084 A HA 0.729 5.049 4.320 0.000 0.000 0.313 1084 A C -0.116 177.413 177.584 -0.091 0.000 1.109 1084 A CA -0.542 51.438 52.037 -0.095 0.000 0.890 1084 A CB 0.786 19.755 19.000 -0.052 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.085 115.793 119.914 -0.059 0.000 3.078 1085 V HA 0.950 5.070 4.120 0.000 0.000 0.311 1085 V C -0.247 175.930 176.094 0.139 0.000 1.138 1085 V CA -0.330 61.985 62.300 0.024 0.000 1.007 1085 V CB 1.125 32.965 31.823 0.027 0.000 1.045 1085 V HN 1.914 nan 8.190 nan 0.000 0.432 1086 A N 2.447 125.406 122.820 0.231 0.000 2.454 1086 A HA 0.851 5.171 4.320 0.000 0.000 0.302 1086 A C -0.561 177.154 177.584 0.218 0.000 1.079 1086 A CA -0.994 51.197 52.037 0.257 0.000 0.731 1086 A CB 1.466 20.531 19.000 0.107 0.000 1.299 1086 A HN 1.106 nan 8.150 nan 0.000 0.413 1087 L N 1.882 123.123 121.223 0.029 0.000 2.543 1087 L HA 0.122 4.462 4.340 0.000 0.000 0.285 1087 L C 1.490 178.260 176.870 -0.167 0.000 1.236 1087 L CA 0.167 54.816 54.840 -0.318 0.000 0.871 1087 L CB 0.370 42.276 42.059 -0.255 0.000 1.121 1087 L HN 0.997 nan 8.230 nan 0.000 0.501 1088 T N -1.879 112.548 114.554 -0.212 0.000 2.770 1088 T HA 0.084 4.434 4.350 0.000 0.000 0.281 1088 T C 0.757 175.369 174.700 -0.147 0.000 0.981 1088 T CA -0.787 61.205 62.100 -0.179 0.000 0.955 1088 T CB 0.786 69.512 68.868 -0.236 0.000 1.060 1088 T HN 0.504 nan 8.240 nan 0.000 0.531 1089 D N -0.222 120.064 120.400 -0.190 0.000 2.178 1089 D HA -0.017 4.623 4.640 0.000 0.000 0.201 1089 D C 1.525 177.967 176.300 0.237 0.000 0.980 1089 D CA 1.065 55.045 54.000 -0.033 0.000 0.842 1089 D CB -0.227 40.505 40.800 -0.112 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.186 120.062 119.950 -0.124 0.000 2.473 1090 F HA 0.245 4.772 4.527 0.000 0.000 0.294 1090 F C 2.186 177.931 175.800 -0.091 0.000 1.103 1090 F CA 0.410 58.373 58.000 -0.062 0.000 1.442 1090 F CB -0.946 37.986 39.000 -0.114 0.000 1.097 1090 F HN -0.028 nan 8.300 nan 0.000 0.547 1091 G N 2.682 111.499 108.800 0.029 0.000 2.672 1091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G C -1.117 173.755 174.900 -0.047 0.000 1.286 1091 G CA 0.560 45.597 45.100 -0.105 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.040 nan 4.420 nan 0.000 0.228 1092 P C 1.603 178.914 177.300 0.019 0.000 1.151 1092 P CA 2.268 65.378 63.100 0.015 0.000 0.770 1092 P CB -0.377 31.325 31.700 0.004 0.000 0.786 1093 A N 0.064 122.856 122.820 -0.046 0.000 2.172 1093 A HA -0.095 4.225 4.320 0.000 0.000 0.216 1093 A C 1.839 179.558 177.584 0.224 0.000 1.154 1093 A CA 0.999 53.004 52.037 -0.055 0.000 0.701 1093 A CB -0.972 17.886 19.000 -0.236 0.000 0.789 1093 A HN 0.125 nan 8.150 nan 0.000 0.465 1094 N N -0.381 118.450 118.700 0.217 0.000 2.268 1094 N HA 0.184 4.924 4.740 0.000 0.000 0.204 1094 N C 1.055 176.708 175.510 0.238 0.000 1.124 1094 N CA 0.076 53.277 53.050 0.251 0.000 0.838 1094 N CB 0.105 38.720 38.487 0.213 0.000 0.994 1094 N HN 0.468 nan 8.380 nan 0.000 0.489 1095 L N -0.253 121.145 121.223 0.291 0.000 2.201 1095 L HA -0.005 4.335 4.340 0.000 0.000 0.212 1095 L C 0.305 177.353 176.870 0.297 0.000 1.105 1095 L CA 0.788 55.828 54.840 0.333 0.000 0.775 1095 L CB 0.224 42.503 42.059 0.365 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.096 119.917 119.914 0.165 0.000 2.384 1096 V HA 0.130 4.250 4.120 0.000 0.000 0.287 1096 V C 0.533 176.533 176.094 -0.157 0.000 1.020 1096 V CA -0.549 61.616 62.300 -0.225 0.000 0.850 1096 V CB 1.708 33.081 31.823 -0.749 0.000 0.987 1096 V HN 0.163 nan 8.190 nan 0.000 0.436 1097 Q N 3.508 123.227 119.800 -0.136 0.000 2.123 1097 Q HA 0.194 4.534 4.340 0.000 0.000 0.196 1097 Q C 0.469 176.376 176.000 -0.155 0.000 0.958 1097 Q CA 1.020 56.786 55.803 -0.062 0.000 0.841 1097 Q CB 0.462 29.197 28.738 -0.005 0.000 0.915 1097 Q HN 0.627 nan 8.270 nan 0.000 0.455 1098 R N -1.053 119.304 120.500 -0.237 0.000 2.710 1098 R HA 0.631 4.971 4.340 0.000 0.000 0.270 1098 R C -1.378 174.734 176.300 -0.314 0.000 1.021 1098 R CA -0.519 55.432 56.100 -0.249 0.000 0.889 1098 R CB 2.251 32.452 30.300 -0.165 0.000 1.243 1098 R HN -0.187 nan 8.270 nan 0.000 0.464 1099 V N 2.571 122.317 119.914 -0.280 0.000 2.841 1099 V HA 0.621 4.741 4.120 0.000 0.000 0.310 1099 V C -0.765 175.216 176.094 -0.189 0.000 1.090 1099 V CA -0.679 61.457 62.300 -0.273 0.000 0.930 1099 V CB 2.327 33.965 31.823 -0.310 0.000 1.014 1099 V HN 0.566 nan 8.190 nan 0.000 0.425 1100 I N 3.679 124.157 120.570 -0.152 0.000 2.607 1100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 1100 I C -1.741 174.324 176.117 -0.086 0.000 1.129 1100 I CA -0.704 60.516 61.300 -0.133 0.000 1.042 1100 I CB 2.377 40.309 38.000 -0.113 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.241 126.396 120.300 -0.241 0.000 2.376 1101 Y HA 0.594 5.144 4.550 -0.000 0.000 0.340 1101 Y C -1.713 174.062 175.900 -0.208 0.000 0.965 1101 Y CA -0.698 57.295 58.100 -0.178 0.000 1.078 1101 Y CB 1.289 39.652 38.460 -0.162 0.000 1.193 1101 Y HN 0.361 nan 8.280 nan 0.000 0.452 1102 Y N 4.653 124.443 120.300 -0.849 0.000 2.364 1102 Y HA 0.294 4.844 4.550 -0.000 0.000 0.340 1102 Y C -0.107 175.255 175.900 -0.897 0.000 0.975 1102 Y CA -1.031 56.729 58.100 -0.567 0.000 1.089 1102 Y CB 1.170 39.443 38.460 -0.311 0.000 1.192 1102 Y HN 0.716 nan 8.280 nan 0.000 0.454 1103 D N 2.691 122.944 120.400 -0.246 0.000 2.451 1103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 1103 D C -2.207 174.093 176.300 0.001 0.000 1.201 1103 D CA -2.287 51.666 54.000 -0.077 0.000 1.028 1103 D CB 0.386 41.328 40.800 0.236 0.000 1.095 1103 D HN 0.169 nan 8.370 nan 0.000 0.539 1104 P HA -0.062 nan 4.420 nan 0.000 0.221 1104 P C -0.040 177.286 177.300 0.043 0.000 1.145 1104 P CA 1.015 64.137 63.100 0.037 0.000 0.795 1104 P CB 0.103 31.836 31.700 0.054 0.000 0.775 1105 D N -1.677 118.767 120.400 0.073 0.000 2.358 1105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 1105 D C 0.465 176.809 176.300 0.075 0.000 1.123 1105 D CA 0.050 54.092 54.000 0.070 0.000 0.833 1105 D CB -1.062 39.789 40.800 0.085 0.000 0.946 1105 D HN 0.208 nan 8.370 nan 0.000 0.505 1106 N N 0.638 119.383 118.700 0.076 0.000 2.800 1106 N HA -0.260 4.480 4.740 0.000 0.000 0.250 1106 N C -0.163 175.462 175.510 0.191 0.000 1.078 1106 N CA 0.188 53.302 53.050 0.106 0.000 0.804 1106 N CB -0.425 38.091 38.487 0.049 0.000 1.135 1106 N HN 0.158 nan 8.380 nan 0.000 0.565 1107 Q N 1.615 121.519 119.800 0.173 0.000 2.256 1107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 1107 Q C -0.516 175.576 176.000 0.153 0.000 0.916 1107 Q CA -0.245 55.645 55.803 0.144 0.000 0.932 1107 Q CB 0.878 29.678 28.738 0.104 0.000 1.207 1107 Q HN 0.182 nan 8.270 nan 0.000 0.426 1108 R N 2.945 123.448 120.500 0.004 0.000 2.441 1108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 1108 R C 0.260 176.568 176.300 0.013 0.000 1.070 1108 R CA -0.141 55.862 56.100 -0.162 0.000 1.047 1108 R CB 0.688 30.775 30.300 -0.355 0.000 1.016 1108 R HN 0.820 nan 8.270 nan 0.000 0.477 1109 H N 0.196 119.229 119.070 -0.062 0.000 5.067 1109 H HA 0.148 4.704 4.556 0.000 0.000 0.118 1109 H C 0.076 175.324 175.328 -0.133 0.000 1.355 1109 H CA -0.369 55.658 56.048 -0.035 0.000 0.741 1109 H CB 0.277 30.087 29.762 0.081 0.000 1.615 1109 H HN 0.380 nan 8.280 nan 0.000 0.266 1110 T N 1.532 116.091 114.554 0.009 0.000 2.916 1110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 1110 T C 0.113 174.748 174.700 -0.108 0.000 1.025 1110 T CA 0.465 62.492 62.100 -0.123 0.000 1.142 1110 T CB 0.319 69.076 68.868 -0.184 0.000 0.947 1110 T HN 0.395 nan 8.240 nan 0.000 0.544 1111 E N 2.200 122.340 120.200 -0.100 0.000 2.642 1111 E HA 0.430 4.780 4.350 0.000 0.000 0.284 1111 E C -0.778 175.779 176.600 -0.071 0.000 1.039 1111 E CA -0.474 55.869 56.400 -0.096 0.000 0.777 1111 E CB 0.908 30.561 29.700 -0.080 0.000 1.473 1111 E HN 0.589 nan 8.360 nan 0.000 0.388 1112 T N 0.974 115.459 114.554 -0.114 0.000 2.671 1112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 1112 T C -0.911 173.655 174.700 -0.223 0.000 1.238 1112 T CA -0.195 61.833 62.100 -0.121 0.000 1.020 1112 T CB 1.052 69.918 68.868 -0.003 0.000 1.503 1112 T HN 0.419 nan 8.240 nan 0.000 0.497 1113 S N -0.044 115.451 115.700 -0.342 0.000 2.617 1113 S HA 0.489 4.959 4.470 0.000 0.000 0.269 1113 S C 1.621 175.957 174.600 -0.440 0.000 1.292 1113 S CA 0.054 57.976 58.200 -0.463 0.000 1.010 1113 S CB 0.860 63.544 63.200 -0.861 0.000 0.944 1113 S HN 1.071 nan 8.310 nan 0.000 0.536 1114 G N 1.084 109.684 108.800 -0.333 0.000 2.418 1114 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 1114 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 1114 G C 1.322 176.211 174.900 -0.018 0.000 1.158 1114 G CA 0.755 45.711 45.100 -0.241 0.000 0.771 1114 G HN 0.960 nan 8.290 nan 0.000 0.545 1115 W N 0.194 121.451 121.300 -0.072 0.000 2.388 1115 W HA -0.022 4.638 4.660 0.000 0.000 0.294 1115 W C 1.785 177.992 176.519 -0.520 0.000 1.212 1115 W CA 0.835 57.951 57.345 -0.381 0.000 1.271 1115 W CB -1.033 28.166 29.460 -0.436 0.000 1.126 1115 W HN 0.416 nan 8.180 nan 0.000 0.535 1116 H N 1.266 119.975 119.070 -0.602 0.000 2.326 1116 H HA -0.180 4.376 4.556 -0.000 0.000 0.301 1116 H C 2.351 177.574 175.328 -0.176 0.000 1.081 1116 H CA 1.789 57.615 56.048 -0.371 0.000 1.334 1116 H CB -0.124 29.255 29.762 -0.639 0.000 1.385 1116 H HN 0.118 nan 8.280 nan 0.000 0.504 1117 L N 1.058 122.059 121.223 -0.370 0.000 2.042 1117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 1117 L C 2.589 179.361 176.870 -0.163 0.000 1.076 1117 L CA 2.456 57.114 54.840 -0.304 0.000 0.749 1117 L CB -1.111 40.838 42.059 -0.183 0.000 0.893 1117 L HN 0.375 nan 8.230 nan 0.000 0.432 1118 H N -1.038 117.957 119.070 -0.124 0.000 2.353 1118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 1118 H C 1.929 177.238 175.328 -0.032 0.000 1.090 1118 H CA 2.228 58.197 56.048 -0.131 0.000 1.327 1118 H CB -0.586 29.070 29.762 -0.177 0.000 1.383 1118 H HN 0.473 nan 8.280 nan 0.000 0.508 1119 F N -0.734 119.101 119.950 -0.193 0.000 2.216 1119 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 1119 F C 2.538 178.272 175.800 -0.110 0.000 1.085 1119 F CA 0.559 58.497 58.000 -0.103 0.000 1.326 1119 F CB -0.054 38.932 39.000 -0.023 0.000 1.027 1119 F HN 0.087 nan 8.300 nan 0.000 0.497 1120 V N 0.252 120.152 119.914 -0.024 0.000 2.427 1120 V HA -0.285 3.835 4.120 0.000 0.000 0.248 1120 V C 1.667 177.701 176.094 -0.101 0.000 1.051 1120 V CA 1.951 64.220 62.300 -0.051 0.000 1.048 1120 V CB -0.771 30.951 31.823 -0.169 0.000 0.666 1120 V HN 0.376 nan 8.190 nan 0.000 0.456 1121 N N -0.300 118.253 118.700 -0.245 0.000 2.104 1121 N HA -0.190 4.550 4.740 0.000 0.000 0.190 1121 N C 1.835 177.210 175.510 -0.225 0.000 1.024 1121 N CA 1.830 54.615 53.050 -0.442 0.000 0.853 1121 N CB -0.200 37.625 38.487 -1.103 0.000 1.008 1121 N HN 0.418 nan 8.380 nan 0.000 0.424 1122 T N 0.575 115.027 114.554 -0.170 0.000 2.708 1122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 1122 T C 2.058 176.718 174.700 -0.066 0.000 1.037 1122 T CA 1.192 63.261 62.100 -0.052 0.000 1.146 1122 T CB -0.334 68.476 68.868 -0.096 0.000 0.865 1122 T HN 0.331 nan 8.240 nan 0.000 0.435 1123 A N 1.894 124.683 122.820 -0.052 0.000 1.908 1123 A HA -0.153 4.167 4.320 0.000 0.000 0.218 1123 A C 2.277 179.845 177.584 -0.027 0.000 1.181 1123 A CA 1.395 53.364 52.037 -0.113 0.000 0.627 1123 A CB -0.332 18.562 19.000 -0.177 0.000 0.818 1123 A HN 0.290 nan 8.150 nan 0.000 0.445 1124 K N -0.632 119.759 120.400 -0.015 0.000 2.155 1124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 1124 K C 2.146 178.724 176.600 -0.035 0.000 1.052 1124 K CA 1.441 57.709 56.287 -0.031 0.000 0.948 1124 K CB -0.237 32.218 32.500 -0.075 0.000 0.728 1124 K HN 0.766 nan 8.250 nan 0.000 0.448 1125 Q N -0.062 119.735 119.800 -0.005 0.000 2.187 1125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 1125 Q C 0.651 176.634 176.000 -0.028 0.000 0.957 1125 Q CA 1.312 57.117 55.803 0.005 0.000 0.857 1125 Q CB 0.240 29.032 28.738 0.090 0.000 0.929 1125 Q HN 0.442 nan 8.270 nan 0.000 0.453 1126 G N -0.623 108.153 108.800 -0.040 0.000 2.141 1126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G C -0.060 174.792 174.900 -0.079 0.000 0.984 1126 G CA 0.187 45.254 45.100 -0.054 0.000 0.660 1126 G HN 0.826 nan 8.290 nan 0.000 0.525 1127 A N -1.279 121.491 122.820 -0.083 0.000 2.586 1127 A HA 0.795 5.115 4.320 0.000 0.000 0.291 1127 A C -3.145 174.398 177.584 -0.069 0.000 1.062 1127 A CA -0.763 51.217 52.037 -0.095 0.000 0.666 1127 A CB 0.704 19.660 19.000 -0.074 0.000 1.281 1127 A HN 0.151 nan 8.150 nan 0.000 0.421 1128 P HA 0.119 nan 4.420 nan 0.000 0.258 1128 P C -0.350 177.010 177.300 0.100 0.000 1.172 1128 P CA 0.549 63.658 63.100 0.015 0.000 0.762 1128 P CB -0.158 31.552 31.700 0.018 0.000 0.764 1129 F N 5.766 125.718 119.950 0.002 0.000 2.604 1129 F HA -0.067 4.460 4.527 0.000 0.000 0.393 1129 F C 1.176 176.995 175.800 0.030 0.000 1.043 1129 F CA 0.381 58.392 58.000 0.019 0.000 1.227 1129 F CB -0.403 38.633 39.000 0.061 0.000 1.016 1129 F HN 0.275 nan 8.300 nan 0.000 0.556 1130 L N 3.577 124.430 121.223 -0.618 0.000 3.976 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.418 1130 L C 0.627 177.343 176.870 -0.257 0.000 1.177 1130 L CA 0.557 55.052 54.840 -0.575 0.000 0.968 1130 L CB -2.343 39.221 42.059 -0.825 0.000 1.933 1130 L HN 0.734 nan 8.230 nan 0.000 0.976 1131 S N -1.825 113.788 115.700 -0.145 0.000 2.645 1131 S HA 0.528 4.998 4.470 0.000 0.000 0.266 1131 S C 0.319 174.868 174.600 -0.085 0.000 1.258 1131 S CA -0.025 58.129 58.200 -0.076 0.000 0.990 1131 S CB 2.190 65.371 63.200 -0.031 0.000 0.967 1131 S HN 0.278 nan 8.310 nan 0.000 0.556 1132 S N 1.556 117.222 115.700 -0.056 0.000 2.498 1132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 1132 S C -0.357 174.220 174.600 -0.038 0.000 1.071 1132 S CA -0.837 57.334 58.200 -0.048 0.000 1.113 1132 S CB -0.044 63.139 63.200 -0.027 0.000 0.976 1132 S HN 0.786 nan 8.310 nan 0.000 0.462 1133 M N 5.973 125.543 119.600 -0.050 0.000 2.238 1133 M HA 0.383 4.863 4.480 0.000 0.000 0.347 1133 M C -1.089 175.191 176.300 -0.034 0.000 1.173 1133 M CA -0.230 55.042 55.300 -0.046 0.000 1.147 1133 M CB 0.640 33.203 32.600 -0.063 0.000 1.547 1133 M HN 0.423 nan 8.290 nan 0.000 0.455 1134 V N 4.637 124.537 119.914 -0.024 0.000 2.465 1134 V HA 0.503 4.623 4.120 0.000 0.000 0.279 1134 V C 0.424 176.507 176.094 -0.018 0.000 1.045 1134 V CA -0.243 62.050 62.300 -0.013 0.000 0.938 1134 V CB 1.074 32.894 31.823 -0.006 0.000 0.986 1134 V HN 1.023 nan 8.190 nan 0.000 0.467 1135 T N -0.231 114.317 114.554 -0.011 0.000 2.838 1135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 1135 T C 0.261 174.963 174.700 0.004 0.000 1.113 1135 T CA -0.276 61.815 62.100 -0.015 0.000 1.008 1135 T CB 1.903 70.747 68.868 -0.040 0.000 1.259 1135 T HN 0.632 nan 8.240 nan 0.000 0.520 1136 D N -0.060 120.341 120.400 0.003 0.000 2.336 1136 D HA 0.073 4.713 4.640 0.000 0.000 0.229 1136 D C 0.658 176.975 176.300 0.028 0.000 1.061 1136 D CA -0.176 53.831 54.000 0.012 0.000 0.875 1136 D CB -0.380 40.423 40.800 0.006 0.000 0.904 1136 D HN 0.390 nan 8.370 nan 0.000 0.525 1137 S N 1.791 117.517 115.700 0.044 0.000 2.544 1137 S HA 0.079 4.549 4.470 0.000 0.000 0.290 1137 S C -1.046 173.606 174.600 0.088 0.000 1.276 1137 S CA -0.928 57.323 58.200 0.085 0.000 1.075 1137 S CB 0.995 64.294 63.200 0.165 0.000 0.849 1137 S HN 0.100 nan 8.310 nan 0.000 0.494 1138 P HA 0.066 nan 4.420 nan 0.000 0.225 1138 P C 0.115 177.430 177.300 0.026 0.000 1.156 1138 P CA 0.325 63.447 63.100 0.037 0.000 0.787 1138 P CB -0.040 31.674 31.700 0.023 0.000 0.802 1139 I N 1.174 121.772 120.570 0.046 0.000 2.648 1139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 1139 I C 1.321 177.377 176.117 -0.100 0.000 1.153 1139 I CA 0.275 61.542 61.300 -0.055 0.000 1.426 1139 I CB 0.179 38.137 38.000 -0.071 0.000 1.381 1139 I HN -0.269 nan 8.210 nan 0.000 0.571 1140 K N 6.646 126.940 120.400 -0.177 0.000 3.233 1140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 1140 K C -0.705 175.804 176.600 -0.151 0.000 1.209 1140 K CA -0.004 56.209 56.287 -0.123 0.000 1.197 1140 K CB -0.568 31.879 32.500 -0.088 0.000 1.431 1140 K HN 0.389 nan 8.250 nan 0.000 0.326 1141 Y N 0.427 120.716 120.300 -0.019 0.000 2.296 1141 Y HA 0.303 4.853 4.550 0.000 0.000 0.343 1141 Y C 1.547 177.433 175.900 -0.023 0.000 1.292 1141 Y CA 0.574 58.659 58.100 -0.024 0.000 1.490 1141 Y CB 0.915 39.358 38.460 -0.028 0.000 1.359 1141 Y HN 0.448 nan 8.280 nan 0.000 0.599 1142 G N 0.162 109.056 108.800 0.155 0.000 2.332 1142 G HA2 -0.043 3.917 3.960 0.000 0.000 0.265 1142 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 1142 G C -1.792 173.131 174.900 0.039 0.000 1.329 1142 G CA -0.861 44.283 45.100 0.073 0.000 0.949 1142 G HN 0.526 nan 8.290 nan 0.000 0.476 1143 D N 0.521 120.934 120.400 0.022 0.000 2.508 1143 D HA 0.445 5.085 4.640 0.000 0.000 0.224 1143 D C 1.372 177.679 176.300 0.012 0.000 1.171 1143 D CA 0.094 54.101 54.000 0.012 0.000 1.006 1143 D CB 0.701 41.508 40.800 0.011 0.000 1.073 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 V N 2.848 122.768 119.914 0.009 0.000 2.575 1144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 1144 V C 1.877 177.975 176.094 0.006 0.000 1.045 1144 V CA 0.781 63.084 62.300 0.004 0.000 1.065 1144 V CB -0.123 31.699 31.823 -0.002 0.000 0.717 1144 V HN 0.556 nan 8.190 nan 0.000 0.467 1145 M N -0.408 119.194 119.600 0.003 0.000 2.371 1145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 1145 M C 0.366 176.681 176.300 0.024 0.000 1.103 1145 M CA 0.090 55.395 55.300 0.009 0.000 1.010 1145 M CB -0.652 31.945 32.600 -0.005 0.000 1.457 1145 M HN 0.386 nan 8.290 nan 0.000 0.486 1146 N N 1.154 119.867 118.700 0.022 0.000 2.699 1146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 1146 N C 1.022 176.570 175.510 0.063 0.000 0.993 1146 N CA 0.262 53.335 53.050 0.038 0.000 0.759 1146 N CB -1.227 37.289 38.487 0.047 0.000 0.906 1146 N HN 0.156 nan 8.380 nan 0.000 0.541 1147 V N -0.197 119.737 119.914 0.033 0.000 2.287 1147 V HA -0.108 4.011 4.120 0.000 0.000 0.248 1147 V C 1.408 177.600 176.094 0.163 0.000 1.053 1147 V CA 1.557 63.887 62.300 0.050 0.000 1.027 1147 V CB 0.022 31.762 31.823 -0.137 0.000 0.646 1147 V HN 0.410 nan 8.190 nan 0.000 0.447 1148 I N 0.423 121.043 120.570 0.084 0.000 2.410 1148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 1148 I C -1.141 175.013 176.117 0.062 0.000 1.009 1148 I CA -0.305 61.055 61.300 0.100 0.000 1.111 1148 I CB 1.761 39.800 38.000 0.066 0.000 1.262 1148 I HN 0.222 nan 8.210 nan 0.000 0.443 1149 D N 5.446 125.888 120.400 0.069 0.000 2.717 1149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 1149 D C -1.612 174.732 176.300 0.073 0.000 1.240 1149 D CA -0.304 53.733 54.000 0.062 0.000 0.801 1149 D CB 2.317 43.157 40.800 0.066 0.000 1.556 1149 D HN 0.680 nan 8.370 nan 0.000 0.462 1150 A N 2.623 125.488 122.820 0.075 0.000 2.555 1150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 1150 A C -2.846 174.816 177.584 0.130 0.000 1.060 1150 A CA -1.206 50.899 52.037 0.114 0.000 0.710 1150 A CB 1.157 20.208 19.000 0.084 0.000 1.282 1150 A HN 0.433 nan 8.150 nan 0.000 0.399 1151 P HA 0.338 nan 4.420 nan 0.000 0.268 1151 P C 1.075 178.505 177.300 0.218 0.000 1.204 1151 P CA 0.533 63.732 63.100 0.165 0.000 0.768 1151 P CB 1.115 32.899 31.700 0.139 0.000 0.842 1152 A N 3.030 125.933 122.820 0.138 0.000 1.978 1152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 1152 A C 1.006 178.708 177.584 0.196 0.000 1.170 1152 A CA 1.996 54.108 52.037 0.124 0.000 0.636 1152 A CB -0.903 18.141 19.000 0.073 0.000 0.810 1152 A HN 0.643 nan 8.150 nan 0.000 0.448 1153 T N -3.862 110.799 114.554 0.178 0.000 2.883 1153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 1153 T C -0.874 173.848 174.700 0.038 0.000 1.158 1153 T CA -0.622 61.567 62.100 0.147 0.000 1.007 1153 T CB 1.491 70.400 68.868 0.068 0.000 1.186 1153 T HN 0.167 nan 8.240 nan 0.000 0.499 1154 I N 1.732 122.246 120.570 -0.093 0.000 2.439 1154 I HA 0.572 4.742 4.170 0.000 0.000 0.283 1154 I C 0.614 176.651 176.117 -0.133 0.000 1.023 1154 I CA -1.106 60.085 61.300 -0.182 0.000 1.100 1154 I CB 1.445 39.200 38.000 -0.409 0.000 1.238 1154 I HN 1.034 nan 8.210 nan 0.000 0.445 1155 A N 4.727 127.498 122.820 -0.082 0.000 2.346 1155 A HA 0.703 5.023 4.320 0.000 0.000 0.252 1155 A C 0.645 178.189 177.584 -0.066 0.000 1.089 1155 A CA -0.270 51.731 52.037 -0.060 0.000 0.797 1155 A CB 0.440 19.419 19.000 -0.035 0.000 1.047 1155 A HN 0.838 nan 8.150 nan 0.000 0.494 1156 A N -0.017 122.780 122.820 -0.039 0.000 2.566 1156 A HA 0.451 4.771 4.320 0.000 0.000 0.245 1156 A C 1.623 179.192 177.584 -0.024 0.000 1.056 1156 A CA 0.965 52.995 52.037 -0.011 0.000 0.757 1156 A CB -1.118 17.907 19.000 0.042 0.000 0.979 1156 A HN 2.752 nan 8.150 nan 0.000 0.508 1157 G N 0.886 109.663 108.800 -0.039 0.000 2.199 1157 G HA2 0.140 4.100 3.960 0.000 0.000 0.254 1157 G HA3 0.140 4.100 3.960 0.000 0.000 0.254 1157 G C 0.563 175.431 174.900 -0.055 0.000 0.982 1157 G CA 0.567 45.640 45.100 -0.045 0.000 0.632 1157 G HN 2.181 nan 8.290 nan 0.000 0.529 1158 A N -0.478 122.301 122.820 -0.068 0.000 2.264 1158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 1158 A C 0.257 177.785 177.584 -0.092 0.000 1.100 1158 A CA 0.683 52.678 52.037 -0.070 0.000 0.839 1158 A CB 1.054 20.014 19.000 -0.066 0.000 1.121 1158 A HN 0.709 nan 8.150 nan 0.000 0.496 1159 T N 0.536 115.046 114.554 -0.073 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.154 174.819 174.700 -0.058 0.000 0.990 1159 T CA 0.056 62.111 62.100 -0.074 0.000 0.960 1159 T CB 1.498 70.338 68.868 -0.047 0.000 0.948 1159 T HN 1.044 nan 8.240 nan 0.000 0.438 1160 G N 1.906 110.664 108.800 -0.070 0.000 2.400 1160 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 1160 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 1160 G C -0.882 174.034 174.900 0.027 0.000 1.143 1160 G CA -0.576 44.510 45.100 -0.024 0.000 0.914 1160 G HN 0.497 nan 8.290 nan 0.000 0.480 1161 E N 0.632 120.863 120.200 0.053 0.000 2.158 1161 E HA 0.479 4.829 4.350 0.000 0.000 0.271 1161 E C -0.912 175.748 176.600 0.100 0.000 0.911 1161 E CA -0.518 55.924 56.400 0.070 0.000 0.767 1161 E CB 2.385 32.115 29.700 0.050 0.000 1.120 1161 E HN 0.133 nan 8.360 nan 0.000 0.405 1162 L N 1.403 122.699 121.223 0.121 0.000 2.341 1162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 1162 L C 0.052 176.987 176.870 0.108 0.000 1.009 1162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 1162 L CB 2.103 44.273 42.059 0.185 0.000 1.323 1162 L HN 0.329 nan 8.230 nan 0.000 0.425 1163 T N 2.235 116.847 114.554 0.097 0.000 2.921 1163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 1163 T C -1.092 173.653 174.700 0.076 0.000 1.013 1163 T CA -0.364 61.785 62.100 0.081 0.000 0.990 1163 T CB 1.640 70.576 68.868 0.113 0.000 1.023 1163 T HN 0.439 nan 8.240 nan 0.000 0.447 1164 M N 3.173 122.787 119.600 0.022 0.000 2.501 1164 M HA 0.683 5.163 4.480 0.000 0.000 0.293 1164 M C -2.376 173.877 176.300 -0.078 0.000 1.192 1164 M CA -0.759 54.531 55.300 -0.017 0.000 0.886 1164 M CB 1.695 34.261 32.600 -0.056 0.000 1.710 1164 M HN 0.620 nan 8.290 nan 0.000 0.457 1165 Y N 2.720 122.988 120.300 -0.053 0.000 2.462 1165 Y HA 0.706 5.256 4.550 -0.000 0.000 0.346 1165 Y C -1.529 174.416 175.900 0.074 0.000 0.976 1165 Y CA -0.328 57.854 58.100 0.136 0.000 1.044 1165 Y CB 2.063 40.658 38.460 0.224 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.208 121.802 120.300 0.491 0.000 2.477 1166 Y HA 0.284 4.834 4.550 -0.000 0.000 0.347 1166 Y C -1.021 175.097 175.900 0.363 0.000 0.981 1166 Y CA -1.555 56.727 58.100 0.303 0.000 1.033 1166 Y CB 2.038 40.563 38.460 0.108 0.000 1.245 1166 Y HN 0.644 nan 8.280 nan 0.000 0.455 1167 W N 4.998 126.381 121.300 0.139 0.000 2.361 1167 W HA 0.666 5.326 4.660 -0.000 0.000 0.314 1167 W C -1.905 174.639 176.519 0.041 0.000 1.041 1167 W CA -1.022 56.396 57.345 0.121 0.000 1.241 1167 W CB 1.453 30.943 29.460 0.050 0.000 1.279 1167 W HN 0.311 nan 8.180 nan 0.000 0.436 1168 V N 9.389 129.017 119.914 -0.478 0.000 2.334 1168 V HA 0.191 4.311 4.120 0.000 0.000 0.267 1168 V C -1.587 174.014 176.094 -0.822 0.000 1.040 1168 V CA -1.521 60.511 62.300 -0.447 0.000 0.866 1168 V CB 0.944 32.634 31.823 -0.221 0.000 1.019 1168 V HN 0.356 nan 8.190 nan 0.000 0.468 1169 P HA 0.395 nan 4.420 nan 0.000 0.286 1169 P C 0.033 177.230 177.300 -0.172 0.000 1.261 1169 P CA -0.314 62.621 63.100 -0.275 0.000 0.821 1169 P CB 2.536 34.397 31.700 0.268 0.000 1.013 1170 L N 1.300 122.464 121.223 -0.099 0.000 2.675 1170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 1170 L C 1.362 178.361 176.870 0.215 0.000 1.135 1170 L CA 0.099 54.899 54.840 -0.067 0.000 0.855 1170 L CB -0.779 41.105 42.059 -0.292 0.000 1.235 1170 L HN 0.326 nan 8.230 nan 0.000 0.499 1171 A N -0.904 122.011 122.820 0.159 0.000 2.445 1171 A HA -0.015 4.305 4.320 0.000 0.000 0.242 1171 A C 0.526 178.263 177.584 0.255 0.000 1.075 1171 A CA 0.029 52.181 52.037 0.192 0.000 0.777 1171 A CB -0.017 19.058 19.000 0.126 0.000 1.013 1171 A HN 0.361 nan 8.150 nan 0.000 0.493 1172 Y N 2.252 122.541 120.300 -0.018 0.000 2.181 1172 Y HA -0.025 4.525 4.550 0.000 0.000 0.288 1172 Y C 1.279 177.133 175.900 -0.077 0.000 1.146 1172 Y CA 1.793 59.711 58.100 -0.303 0.000 1.164 1172 Y CB 0.020 38.324 38.460 -0.260 0.000 0.982 1172 Y HN 0.878 nan 8.280 nan 0.000 0.515 1173 S N -2.425 113.253 115.700 -0.037 0.000 2.790 1173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 1173 S C 0.350 174.933 174.600 -0.028 0.000 1.197 1173 S CA -0.622 57.513 58.200 -0.108 0.000 0.851 1173 S CB 1.082 64.203 63.200 -0.130 0.000 1.217 1173 S HN 0.082 nan 8.310 nan 0.000 0.526 1174 E N 1.099 121.254 120.200 -0.076 0.000 2.274 1174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 1174 E C 1.692 178.265 176.600 -0.044 0.000 0.996 1174 E CA 1.819 58.175 56.400 -0.072 0.000 0.840 1174 E CB -0.322 29.306 29.700 -0.119 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.436 112.104 114.554 -0.024 0.000 2.985 1175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 1175 T C 0.442 175.150 174.700 0.014 0.000 1.021 1175 T CA -0.307 61.786 62.100 -0.011 0.000 0.957 1175 T CB 0.440 69.300 68.868 -0.013 0.000 1.047 1175 T HN -0.208 nan 8.240 nan 0.000 0.511 1176 D N 1.198 121.628 120.400 0.051 0.000 2.453 1176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 1176 D C 0.627 176.964 176.300 0.062 0.000 1.088 1176 D CA -0.673 53.368 54.000 0.068 0.000 0.854 1176 D CB 1.020 41.924 40.800 0.173 0.000 1.076 1176 D HN 0.215 nan 8.370 nan 0.000 0.533 1177 L N 2.496 123.728 121.223 0.014 0.000 2.627 1177 L HA 0.085 4.425 4.340 0.000 0.000 0.233 1177 L C 0.773 177.642 176.870 -0.002 0.000 1.144 1177 L CA 0.160 55.010 54.840 0.016 0.000 0.892 1177 L CB -0.345 41.714 42.059 0.001 0.000 1.039 1177 L HN 0.255 nan 8.230 nan 0.000 0.442 1178 T N 0.860 115.379 114.554 -0.058 0.000 2.871 1178 T HA 0.227 4.577 4.350 0.000 0.000 0.296 1178 T C 1.259 175.951 174.700 -0.014 0.000 0.998 1178 T CA 1.054 63.050 62.100 -0.174 0.000 1.162 1178 T CB 0.846 69.397 68.868 -0.528 0.000 0.947 1178 T HN 0.632 nan 8.240 nan 0.000 0.536 1179 G N 2.048 110.869 108.800 0.034 0.000 2.195 1179 G HA2 -0.093 3.867 3.960 0.000 0.000 0.246 1179 G HA3 -0.093 3.867 3.960 0.000 0.000 0.246 1179 G C 0.363 175.376 174.900 0.189 0.000 0.984 1179 G CA -0.031 45.190 45.100 0.202 0.000 0.633 1179 G HN 1.158 nan 8.290 nan 0.000 0.525 1180 A N -0.479 122.405 122.820 0.106 0.000 2.386 1180 A HA 0.650 4.970 4.320 0.000 0.000 0.246 1180 A C 0.403 178.029 177.584 0.070 0.000 1.089 1180 A CA 0.748 52.822 52.037 0.060 0.000 0.790 1180 A CB 0.872 19.895 19.000 0.037 0.000 1.042 1180 A HN 1.196 nan 8.150 nan 0.000 0.497 1181 V N 1.861 121.794 119.914 0.030 0.000 2.448 1181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 1181 V C -0.479 175.646 176.094 0.052 0.000 1.025 1181 V CA -0.509 61.829 62.300 0.063 0.000 0.859 1181 V CB 1.340 33.199 31.823 0.060 0.000 0.988 1181 V HN 0.767 nan 8.190 nan 0.000 0.431 1182 L N 5.174 126.436 121.223 0.064 0.000 2.325 1182 L HA 0.591 4.931 4.340 0.000 0.000 0.284 1182 L C 0.864 177.769 176.870 0.058 0.000 1.089 1182 L CA 0.698 55.567 54.840 0.048 0.000 0.836 1182 L CB 0.996 43.088 42.059 0.055 0.000 1.184 1182 L HN 0.748 nan 8.230 nan 0.000 0.444 1183 A N 2.620 125.464 122.820 0.040 0.000 2.469 1183 A HA 0.247 4.567 4.320 0.000 0.000 0.245 1183 A C 1.543 179.144 177.584 0.028 0.000 1.221 1183 A CA 0.481 52.541 52.037 0.039 0.000 0.946 1183 A CB -0.806 18.214 19.000 0.034 0.000 1.049 1183 A HN 0.766 nan 8.150 nan 0.000 0.529 1184 N N 0.363 119.086 118.700 0.038 0.000 2.459 1184 N HA 0.342 5.082 4.740 0.000 0.000 0.181 1184 N C 1.300 176.857 175.510 0.079 0.000 1.046 1184 N CA 1.071 54.156 53.050 0.058 0.000 0.904 1184 N CB -0.906 37.639 38.487 0.097 0.000 0.964 1184 N HN 0.782 nan 8.380 nan 0.000 0.444 1185 V N 0.320 120.282 119.914 0.080 0.000 4.119 1185 V HA 0.228 4.348 4.120 0.000 0.000 0.286 1185 V C -1.141 174.985 176.094 0.054 0.000 0.996 1185 V CA -0.507 61.839 62.300 0.076 0.000 1.027 1185 V CB -1.135 30.732 31.823 0.074 0.000 1.193 1185 V HN 0.306 nan 8.190 nan 0.000 0.454 1186 P HA 0.189 nan 4.420 nan 0.000 0.274 1186 P C 0.737 178.052 177.300 0.025 0.000 1.209 1186 P CA 1.457 64.576 63.100 0.032 0.000 0.790 1186 P CB 0.079 31.796 31.700 0.029 0.000 0.834 1187 Q N 0.952 120.762 119.800 0.017 0.000 2.369 1187 Q HA -0.040 4.300 4.340 0.000 0.000 0.206 1187 Q C 1.252 177.256 176.000 0.006 0.000 0.963 1187 Q CA 1.299 57.109 55.803 0.011 0.000 0.894 1187 Q CB -0.882 27.861 28.738 0.007 0.000 0.965 1187 Q HN 0.514 nan 8.270 nan 0.000 0.475 1188 S N 1.303 117.007 115.700 0.006 0.000 2.702 1188 S HA 0.111 4.581 4.470 0.000 0.000 0.314 1188 S C 0.398 174.995 174.600 -0.005 0.000 1.244 1188 S CA 0.180 58.379 58.200 -0.003 0.000 1.058 1188 S CB 0.007 63.209 63.200 0.002 0.000 0.783 1188 S HN 0.722 nan 8.310 nan 0.000 0.503 1189 K N 4.343 124.731 120.400 -0.021 0.000 2.202 1189 K HA 0.281 4.601 4.320 0.000 0.000 0.264 1189 K C -0.068 176.504 176.600 -0.046 0.000 1.010 1189 K CA -0.607 55.664 56.287 -0.027 0.000 0.940 1189 K CB 0.543 33.021 32.500 -0.038 0.000 0.983 1189 K HN 0.634 nan 8.250 nan 0.000 0.475 1190 Q N 1.085 120.864 119.800 -0.036 0.000 2.212 1190 Q HA 0.326 4.666 4.340 0.000 0.000 0.238 1190 Q C -0.773 175.144 176.000 -0.137 0.000 0.955 1190 Q CA -0.724 55.026 55.803 -0.088 0.000 0.906 1190 Q CB 1.528 30.295 28.738 0.049 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.216 121.569 120.500 -0.246 0.000 2.483 1191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 1191 R C -1.629 174.554 176.300 -0.194 0.000 0.987 1191 R CA -0.736 55.259 56.100 -0.176 0.000 0.881 1191 R CB 1.193 31.405 30.300 -0.147 0.000 1.177 1191 R HN 0.331 nan 8.270 nan 0.000 0.451 1192 L N 3.783 124.902 121.223 -0.174 0.000 2.301 1192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 1192 L C -0.869 175.902 176.870 -0.165 0.000 1.022 1192 L CA -0.254 54.469 54.840 -0.194 0.000 0.854 1192 L CB 0.811 42.607 42.059 -0.438 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.151 126.482 120.400 -0.114 0.000 2.201 1193 K HA 0.599 4.919 4.320 0.000 0.000 0.278 1193 K C -1.222 175.256 176.600 -0.204 0.000 1.027 1193 K CA -0.410 55.807 56.287 -0.117 0.000 0.909 1193 K CB 1.348 33.822 32.500 -0.044 0.000 1.062 1193 K HN 0.542 nan 8.250 nan 0.000 0.465 1194 L N 2.473 123.550 121.223 -0.244 0.000 2.381 1194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 1194 L C -0.434 176.200 176.870 -0.393 0.000 0.988 1194 L CA -0.622 53.955 54.840 -0.439 0.000 0.824 1194 L CB 1.935 43.594 42.059 -0.667 0.000 1.263 1194 L HN 0.649 nan 8.230 nan 0.000 0.410 1195 E N 3.209 123.157 120.200 -0.420 0.000 2.129 1195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 1195 E C -1.300 175.122 176.600 -0.297 0.000 0.900 1195 E CA -0.609 55.650 56.400 -0.235 0.000 0.755 1195 E CB 1.032 30.648 29.700 -0.139 0.000 1.117 1195 E HN 0.300 nan 8.360 nan 0.000 0.410 1196 F N 1.902 121.864 119.950 0.021 0.000 2.370 1196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 1196 F C 1.075 176.903 175.800 0.046 0.000 1.129 1196 F CA -0.546 57.492 58.000 0.063 0.000 1.109 1196 F CB 0.836 39.968 39.000 0.220 0.000 1.262 1196 F HN 0.507 nan 8.300 nan 0.000 0.534 1197 A N 1.653 124.620 122.820 0.244 0.000 2.448 1197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 1197 A C -0.262 177.381 177.584 0.097 0.000 1.080 1197 A CA -0.168 51.970 52.037 0.169 0.000 0.779 1197 A CB -0.194 18.956 19.000 0.249 0.000 1.026 1197 A HN 0.892 nan 8.150 nan 0.000 0.499 1198 N N -0.712 118.100 118.700 0.187 0.000 3.102 1198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 1198 N C -0.118 175.640 175.510 0.414 0.000 1.482 1198 N CA -0.822 52.367 53.050 0.231 0.000 0.785 1198 N CB 0.351 38.947 38.487 0.182 0.000 1.680 1198 N HN 0.298 nan 8.380 nan 0.000 0.594 1199 N N -0.567 118.400 118.700 0.445 0.000 2.520 1199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 1199 N C -0.027 175.694 175.510 0.352 0.000 1.068 1199 N CA 0.669 54.022 53.050 0.504 0.000 0.911 1199 N CB -0.535 38.202 38.487 0.417 0.000 0.961 1199 N HN 0.579 nan 8.380 nan 0.000 0.446 1200 N N -1.028 117.809 118.700 0.229 0.000 2.388 1200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 1200 N C 1.502 177.082 175.510 0.116 0.000 1.062 1200 N CA 0.801 53.951 53.050 0.166 0.000 0.895 1200 N CB 0.390 38.955 38.487 0.130 0.000 1.018 1200 N HN 0.244 nan 8.380 nan 0.000 0.456 1201 T N -2.849 111.757 114.554 0.088 0.000 3.000 1201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 1201 T C 1.848 176.513 174.700 -0.058 0.000 1.034 1201 T CA 0.158 62.285 62.100 0.045 0.000 1.060 1201 T CB 0.099 69.013 68.868 0.077 0.000 0.983 1201 T HN 0.039 nan 8.240 nan 0.000 0.482 1202 A N 0.804 123.479 122.820 -0.242 0.000 2.066 1202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 1202 A C 0.286 177.365 177.584 -0.843 0.000 1.157 1202 A CA 0.172 51.830 52.037 -0.632 0.000 0.670 1202 A CB -0.626 17.774 19.000 -1.001 0.000 0.804 1202 A HN 0.600 nan 8.150 nan 0.000 0.453 1203 F N -0.846 119.163 119.950 0.098 0.000 2.477 1203 F HA 0.648 5.175 4.527 0.000 0.000 0.335 1203 F C 0.221 176.055 175.800 0.057 0.000 1.130 1203 F CA -0.810 57.231 58.000 0.069 0.000 0.948 1203 F CB 1.746 40.765 39.000 0.032 0.000 1.154 1203 F HN 0.050 nan 8.300 nan 0.000 0.439 1204 A N 2.211 125.142 122.820 0.185 0.000 2.304 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 1204 A C -0.213 177.429 177.584 0.096 0.000 1.195 1204 A CA -0.633 51.469 52.037 0.109 0.000 0.826 1204 A CB 0.678 19.710 19.000 0.053 0.000 1.184 1204 A HN 0.942 nan 8.150 nan 0.000 0.496 1205 A N 1.804 124.669 122.820 0.076 0.000 2.366 1205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 1205 A C 0.433 178.035 177.584 0.032 0.000 1.084 1205 A CA -0.294 51.773 52.037 0.049 0.000 0.794 1205 A CB -0.008 19.019 19.000 0.045 0.000 1.034 1205 A HN 1.215 nan 8.150 nan 0.000 0.491 1206 V N 1.379 121.303 119.914 0.016 0.000 2.694 1206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 1206 V C 1.705 177.806 176.094 0.011 0.000 1.054 1206 V CA 1.856 64.161 62.300 0.009 0.000 1.161 1206 V CB 0.015 31.837 31.823 -0.002 0.000 0.916 1206 V HN 1.982 nan 8.190 nan 0.000 0.490 1207 G N 3.132 111.937 108.800 0.009 0.000 2.225 1207 G HA2 -0.126 3.834 3.960 0.000 0.000 0.254 1207 G HA3 -0.126 3.834 3.960 0.000 0.000 0.254 1207 G C 0.383 175.289 174.900 0.010 0.000 0.988 1207 G CA 0.288 45.391 45.100 0.006 0.000 0.625 1207 G HN 1.525 nan 8.290 nan 0.000 0.527 1208 A N -0.233 122.598 122.820 0.019 0.000 2.264 1208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 1208 A C 0.471 178.073 177.584 0.029 0.000 1.100 1208 A CA 0.019 52.072 52.037 0.026 0.000 0.839 1208 A CB 0.453 19.475 19.000 0.037 0.000 1.121 1208 A HN 0.491 nan 8.150 nan 0.000 0.496 1209 N N 1.171 119.892 118.700 0.036 0.000 2.452 1209 N HA 0.136 4.876 4.740 0.000 0.000 0.266 1209 N C -1.773 173.761 175.510 0.040 0.000 1.209 1209 N CA -1.279 51.808 53.050 0.061 0.000 0.929 1209 N CB 1.006 39.532 38.487 0.065 0.000 1.063 1209 N HN 0.351 nan 8.380 nan 0.000 0.472 1210 P HA 0.000 nan 4.420 nan 0.000 0.261 1210 P C 1.505 178.636 177.300 -0.282 0.000 1.268 1210 P CA -0.136 62.898 63.100 -0.111 0.000 0.833 1210 P CB 0.472 32.087 31.700 -0.141 0.000 1.231 1211 L N 1.558 122.633 121.223 -0.248 0.000 2.010 1211 L HA -0.187 4.153 4.340 0.000 0.000 0.219 1211 L C 1.735 178.402 176.870 -0.339 0.000 1.077 1211 L CA 2.207 56.771 54.840 -0.460 0.000 0.773 1211 L CB -0.888 41.144 42.059 -0.045 0.000 0.892 1211 L HN -0.119 nan 8.230 nan 0.000 0.436 1212 E N -0.005 120.157 120.200 -0.063 0.000 2.474 1212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 1212 E C 0.687 177.308 176.600 0.036 0.000 1.039 1212 E CA 0.573 57.019 56.400 0.077 0.000 0.881 1212 E CB -0.065 29.718 29.700 0.139 0.000 0.970 1212 E HN 0.577 nan 8.360 nan 0.000 0.486 1213 A N 0.749 123.539 122.820 -0.050 0.000 2.271 1213 A HA 0.506 4.826 4.320 0.000 0.000 0.288 1213 A C 1.109 178.647 177.584 -0.077 0.000 1.094 1213 A CA -0.444 51.558 52.037 -0.059 0.000 0.828 1213 A CB 0.529 19.500 19.000 -0.048 0.000 1.091 1213 A HN 0.047 nan 8.150 nan 0.000 0.493 1214 I N -1.578 118.938 120.570 -0.090 0.000 3.039 1214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 1214 I C -0.352 175.580 176.117 -0.309 0.000 1.150 1214 I CA 0.656 61.871 61.300 -0.142 0.000 1.448 1214 I CB -0.012 37.965 38.000 -0.038 0.000 1.197 1214 I HN 0.585 nan 8.210 nan 0.000 0.450 1215 Y N 0.348 120.669 120.300 0.035 0.000 2.499 1215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 1215 Y C -0.238 175.716 175.900 0.091 0.000 0.987 1215 Y CA -0.736 57.419 58.100 0.093 0.000 1.044 1215 Y CB 1.764 40.331 38.460 0.179 0.000 1.245 1215 Y HN -0.062 nan 8.280 nan 0.000 0.461 1216 Q N 1.305 121.228 119.800 0.206 0.000 2.359 1216 Q HA 0.770 5.110 4.340 0.000 0.000 0.274 1216 Q C -0.979 175.078 176.000 0.094 0.000 1.074 1216 Q CA -0.640 55.235 55.803 0.120 0.000 0.810 1216 Q CB 2.689 31.453 28.738 0.044 0.000 1.342 1216 Q HN 0.969 nan 8.270 nan 0.000 0.427 1217 G N 0.346 109.178 108.800 0.053 0.000 2.336 1217 G HA2 0.351 4.311 3.960 0.000 0.000 0.300 1217 G HA3 0.351 4.311 3.960 0.000 0.000 0.300 1217 G C -0.204 174.669 174.900 -0.044 0.000 1.375 1217 G CA -0.128 44.974 45.100 0.004 0.000 0.885 1217 G HN 0.739 nan 8.290 nan 0.000 0.599 1218 A N -0.839 121.926 122.820 -0.093 0.000 2.024 1218 A HA 0.291 4.611 4.320 0.000 0.000 0.220 1218 A C 2.280 179.672 177.584 -0.319 0.000 1.164 1218 A CA 2.805 54.747 52.037 -0.160 0.000 0.643 1218 A CB -0.494 18.409 19.000 -0.163 0.000 0.806 1218 A HN 2.033 nan 8.150 nan 0.000 0.451 1219 G N -1.703 106.883 108.800 -0.357 0.000 3.189 1219 G HA2 0.349 4.309 3.960 0.000 0.000 0.225 1219 G HA3 0.349 4.309 3.960 0.000 0.000 0.225 1219 G C 1.265 176.071 174.900 -0.157 0.000 1.159 1219 G CA 0.865 45.688 45.100 -0.462 0.000 0.763 1219 G HN 0.626 nan 8.290 nan 0.000 0.549 1220 A N 1.453 124.220 122.820 -0.088 0.000 1.892 1220 A HA 0.102 4.422 4.320 0.000 0.000 0.218 1220 A C 2.772 180.346 177.584 -0.016 0.000 1.188 1220 A CA 2.236 54.263 52.037 -0.017 0.000 0.631 1220 A CB -0.737 18.316 19.000 0.088 0.000 0.822 1220 A HN 0.806 nan 8.150 nan 0.000 0.447 1221 A N -0.649 122.189 122.820 0.030 0.000 2.032 1221 A HA -0.174 4.146 4.320 0.000 0.000 0.221 1221 A C 1.343 178.933 177.584 0.011 0.000 1.165 1221 A CA 1.809 53.876 52.037 0.050 0.000 0.645 1221 A CB -0.357 18.685 19.000 0.071 0.000 0.807 1221 A HN 0.489 nan 8.150 nan 0.000 0.453 1222 D N -1.234 119.164 120.400 -0.002 0.000 2.424 1222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 1222 D C -0.365 175.818 176.300 -0.194 0.000 1.150 1222 D CA -0.044 53.925 54.000 -0.052 0.000 0.831 1222 D CB -0.096 40.712 40.800 0.013 0.000 0.981 1222 D HN 0.290 nan 8.370 nan 0.000 0.500 1223 C N 1.536 120.597 119.300 -0.398 0.000 2.398 1223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 1223 C C 0.529 175.009 174.990 -0.849 0.000 1.219 1223 C CA -0.508 58.032 59.018 -0.797 0.000 2.312 1223 C CB 0.878 27.761 27.740 -1.428 0.000 2.428 1223 C HN 0.400 nan 8.230 nan 0.000 0.564 1224 E N 0.600 120.393 120.200 -0.677 0.000 2.407 1224 E HA 0.458 4.808 4.350 0.000 0.000 0.279 1224 E C -1.734 174.818 176.600 -0.080 0.000 1.012 1224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 1224 E CB 0.625 30.301 29.700 -0.039 0.000 1.276 1224 E HN 0.401 nan 8.360 nan 0.000 0.452 1225 F N 1.460 121.528 119.950 0.197 0.000 2.427 1225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 1225 F C 1.779 177.601 175.800 0.036 0.000 1.100 1225 F CA 0.042 58.125 58.000 0.139 0.000 1.191 1225 F CB 1.444 40.516 39.000 0.120 0.000 1.128 1225 F HN 0.764 nan 8.300 nan 0.000 0.533 1226 E N 2.431 122.741 120.200 0.183 0.000 2.076 1226 E HA -0.047 4.303 4.350 0.000 0.000 0.190 1226 E C -0.238 176.398 176.600 0.060 0.000 0.979 1226 E CA 0.891 57.340 56.400 0.083 0.000 0.807 1226 E CB 0.367 30.089 29.700 0.038 0.000 0.761 1226 E HN 0.806 nan 8.360 nan 0.000 0.454 1227 E N -1.014 119.220 120.200 0.058 0.000 2.398 1227 E HA 0.352 4.702 4.350 0.000 0.000 0.280 1227 E C -1.304 175.162 176.600 -0.223 0.000 1.122 1227 E CA -0.689 55.638 56.400 -0.121 0.000 0.873 1227 E CB 0.547 30.167 29.700 -0.133 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.952 121.154 120.570 -0.613 0.000 2.647 1228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 1228 I C -0.899 174.791 176.117 -0.713 0.000 1.078 1228 I CA -0.944 59.930 61.300 -0.709 0.000 1.048 1228 I CB 2.219 39.533 38.000 -1.144 0.000 1.239 1228 I HN 0.562 nan 8.210 nan 0.000 0.421 1229 S N 4.159 119.637 115.700 -0.369 0.000 2.549 1229 S HA 0.782 5.252 4.470 0.000 0.000 0.280 1229 S C -1.593 172.945 174.600 -0.103 0.000 1.109 1229 S CA -0.434 57.610 58.200 -0.260 0.000 0.905 1229 S CB 1.448 64.535 63.200 -0.188 0.000 1.081 1229 S HN 0.483 nan 8.310 nan 0.000 0.477 1230 Y N -0.185 120.032 120.300 -0.139 0.000 2.562 1230 Y HA 0.828 5.378 4.550 0.000 0.000 0.345 1230 Y C -0.872 175.002 175.900 -0.044 0.000 1.045 1230 Y CA -0.841 57.236 58.100 -0.038 0.000 1.028 1230 Y CB 1.410 39.916 38.460 0.077 0.000 1.297 1230 Y HN 0.435 nan 8.280 nan 0.000 0.463 1231 T N 2.888 117.555 114.554 0.188 0.000 2.928 1231 T HA 0.535 4.885 4.350 0.000 0.000 0.296 1231 T C -1.450 173.334 174.700 0.140 0.000 1.000 1231 T CA -0.653 61.469 62.100 0.037 0.000 0.989 1231 T CB 1.521 70.353 68.868 -0.061 0.000 1.005 1231 T HN 0.625 nan 8.240 nan 0.000 0.442 1232 V N 4.077 124.047 119.914 0.093 0.000 2.398 1232 V HA 0.487 4.607 4.120 0.000 0.000 0.286 1232 V C -1.143 174.985 176.094 0.056 0.000 1.026 1232 V CA -0.766 61.631 62.300 0.161 0.000 0.868 1232 V CB 0.895 32.815 31.823 0.161 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.978 123.460 120.300 0.303 0.000 2.352 1233 Y HA 0.500 5.050 4.550 -0.000 0.000 0.339 1233 Y C 0.297 176.394 175.900 0.329 0.000 0.992 1233 Y CA -0.332 57.944 58.100 0.292 0.000 1.100 1233 Y CB 1.728 40.358 38.460 0.282 0.000 1.192 1233 Y HN 0.566 nan 8.280 nan 0.000 0.458 1234 Q N 2.157 122.224 119.800 0.445 0.000 2.271 1234 Q HA 0.444 4.784 4.340 0.000 0.000 0.258 1234 Q C -0.888 175.279 176.000 0.279 0.000 0.936 1234 Q CA -0.575 55.407 55.803 0.298 0.000 0.909 1234 Q CB 1.329 30.271 28.738 0.339 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.383 120.151 115.700 0.114 0.000 2.433 1235 S HA 0.621 5.091 4.470 0.000 0.000 0.310 1235 S C -1.371 173.311 174.600 0.136 0.000 1.097 1235 S CA -0.378 57.914 58.200 0.153 0.000 1.103 1235 S CB 0.225 63.622 63.200 0.328 0.000 0.992 1235 S HN 0.571 nan 8.310 nan 0.000 0.469 1236 Y N 2.085 122.385 120.300 -0.000 0.000 2.689 1236 Y HA 0.726 5.276 4.550 -0.000 0.000 0.333 1236 Y C -1.809 174.088 175.900 -0.004 0.000 1.190 1236 Y CA -1.584 56.503 58.100 -0.022 0.000 1.063 1236 Y CB 0.883 39.330 38.460 -0.023 0.000 1.294 1236 Y HN 0.414 nan 8.280 nan 0.000 0.466 1237 L N 2.409 123.711 121.223 0.132 0.000 2.313 1237 L HA 0.477 4.817 4.340 0.000 0.000 0.283 1237 L C -0.850 176.116 176.870 0.160 0.000 1.013 1237 L CA -0.567 54.296 54.840 0.038 0.000 0.816 1237 L CB 1.431 43.495 42.059 0.008 0.000 1.236 1237 L HN 0.689 nan 8.230 nan 0.000 0.419 1238 D N 1.812 122.286 120.400 0.122 0.000 2.449 1238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 1238 D C -0.338 176.024 176.300 0.103 0.000 1.050 1238 D CA -0.017 54.090 54.000 0.179 0.000 1.024 1238 D CB 1.429 42.371 40.800 0.237 0.000 1.218 1238 D HN 0.362 nan 8.370 nan 0.000 0.566 1239 Q N 0.160 120.013 119.800 0.089 0.000 2.470 1239 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 1239 Q C -0.480 175.537 176.000 0.028 0.000 1.356 1239 Q CA 0.363 56.207 55.803 0.070 0.000 0.805 1239 Q CB -1.846 26.942 28.738 0.083 0.000 1.157 1239 Q HN 0.471 nan 8.270 nan 0.000 0.431 1240 L N 2.015 123.207 121.223 -0.052 0.000 2.490 1240 L HA 0.117 4.457 4.340 0.000 0.000 0.274 1240 L C -1.052 175.793 176.870 -0.043 0.000 1.201 1240 L CA -1.087 53.662 54.840 -0.153 0.000 0.869 1240 L CB -0.208 41.553 42.059 -0.498 0.000 1.123 1240 L HN 0.009 nan 8.230 nan 0.000 0.484 1241 P HA 0.138 nan 4.420 nan 0.000 0.271 1241 P C -0.822 176.573 177.300 0.158 0.000 1.216 1241 P CA -0.178 62.963 63.100 0.069 0.000 0.771 1241 P CB 1.386 33.111 31.700 0.041 0.000 0.864 1242 V N 2.434 122.452 119.914 0.174 0.000 2.667 1242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 1242 V C 0.902 177.057 176.094 0.101 0.000 1.048 1242 V CA -0.152 62.263 62.300 0.191 0.000 0.928 1242 V CB 1.708 33.627 31.823 0.160 0.000 1.004 1242 V HN 0.903 nan 8.190 nan 0.000 0.444 1243 G N 1.167 110.015 108.800 0.080 0.000 3.247 1243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 1243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 1243 G C 0.545 175.463 174.900 0.029 0.000 1.220 1243 G CA 0.572 45.702 45.100 0.049 0.000 0.875 1243 G HN 0.745 nan 8.290 nan 0.000 0.606 1244 Q N -1.446 118.367 119.800 0.022 0.000 1.921 1244 Q HA -0.168 4.172 4.340 0.000 0.000 0.208 1244 Q C 2.559 178.562 176.000 0.006 0.000 0.994 1244 Q CA 2.961 58.771 55.803 0.012 0.000 0.857 1244 Q CB -1.987 26.757 28.738 0.011 0.000 0.925 1244 Q HN 1.336 nan 8.270 nan 0.000 0.421 1245 N N -0.092 118.613 118.700 0.010 0.000 2.519 1245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 1245 N C 1.464 176.970 175.510 -0.007 0.000 1.062 1245 N CA 1.775 54.827 53.050 0.003 0.000 0.910 1245 N CB -0.136 38.358 38.487 0.012 0.000 0.958 1245 N HN 1.580 nan 8.380 nan 0.000 0.445 1246 G N -1.869 106.932 108.800 0.001 0.000 2.250 1246 G HA2 0.018 3.978 3.960 0.000 0.000 0.196 1246 G HA3 0.018 3.978 3.960 0.000 0.000 0.196 1246 G C -0.805 174.141 174.900 0.077 0.000 1.308 1246 G CA -0.416 44.666 45.100 -0.029 0.000 1.207 1246 G HN 0.454 nan 8.290 nan 0.000 0.505 1247 Y N 0.915 121.226 120.300 0.018 0.000 2.805 1247 Y HA 0.221 4.771 4.550 0.000 0.000 0.331 1247 Y C 1.341 177.252 175.900 0.018 0.000 1.241 1247 Y CA -0.085 58.028 58.100 0.021 0.000 1.546 1247 Y CB 0.196 38.671 38.460 0.024 0.000 1.248 1247 Y HN 0.239 nan 8.280 nan 0.000 0.559 1248 I N 6.727 127.407 120.570 0.184 0.000 2.308 1248 I HA 0.123 4.293 4.170 0.000 0.000 0.293 1248 I C -0.476 175.675 176.117 0.057 0.000 1.078 1248 I CA 0.261 61.617 61.300 0.092 0.000 1.292 1248 I CB 0.058 38.095 38.000 0.063 0.000 1.423 1248 I HN 0.366 nan 8.210 nan 0.000 0.493 1249 L N 8.626 129.881 121.223 0.054 0.000 2.401 1249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 1249 L C -2.419 174.461 176.870 0.017 0.000 0.991 1249 L CA -1.877 52.980 54.840 0.028 0.000 0.818 1249 L CB 2.524 44.610 42.059 0.045 0.000 1.321 1249 L HN 0.344 nan 8.230 nan 0.000 0.413 1250 P HA 0.165 nan 4.420 nan 0.000 0.273 1250 P C 0.651 177.947 177.300 -0.007 0.000 1.428 1250 P CA -0.231 62.864 63.100 -0.009 0.000 0.995 1250 P CB 0.648 32.336 31.700 -0.020 0.000 1.286 1251 L N 2.676 123.898 121.223 -0.001 0.000 2.131 1251 L HA -0.157 4.183 4.340 0.000 0.000 0.210 1251 L C 2.373 179.236 176.870 -0.012 0.000 1.092 1251 L CA 1.313 56.154 54.840 0.003 0.000 0.759 1251 L CB -0.523 41.541 42.059 0.009 0.000 0.903 1251 L HN 0.277 nan 8.230 nan 0.000 0.435 1252 I N -0.424 120.128 120.570 -0.031 0.000 2.233 1252 I HA -0.233 3.937 4.170 0.000 0.000 0.243 1252 I C 2.111 178.182 176.117 -0.076 0.000 1.093 1252 I CA 1.012 62.279 61.300 -0.055 0.000 1.380 1252 I CB -0.422 37.535 38.000 -0.072 0.000 1.067 1252 I HN 0.201 nan 8.210 nan 0.000 0.413 1253 D N 1.336 121.689 120.400 -0.077 0.000 2.106 1253 D HA -0.176 4.464 4.640 0.000 0.000 0.191 1253 D C 2.195 178.470 176.300 -0.041 0.000 0.997 1253 D CA 1.474 55.422 54.000 -0.087 0.000 0.834 1253 D CB -0.396 40.368 40.800 -0.060 0.000 0.956 1253 D HN 0.277 nan 8.370 nan 0.000 0.448 1254 L N 0.409 121.627 121.223 -0.009 0.000 2.465 1254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 1254 L C 1.709 178.603 176.870 0.038 0.000 1.145 1254 L CA 0.740 55.596 54.840 0.028 0.000 0.834 1254 L CB -0.241 41.838 42.059 0.033 0.000 0.944 1254 L HN 0.034 nan 8.230 nan 0.000 0.451 1255 S N -3.024 112.682 115.700 0.010 0.000 2.568 1255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 1255 S C 0.564 175.161 174.600 -0.006 0.000 0.975 1255 S CA -0.536 57.672 58.200 0.014 0.000 0.949 1255 S CB 0.083 63.288 63.200 0.008 0.000 0.829 1255 S HN 0.111 nan 8.310 nan 0.000 0.479 1256 T N 2.749 117.288 114.554 -0.026 0.000 2.855 1256 T HA 0.603 4.953 4.350 0.000 0.000 0.281 1256 T C -0.607 174.088 174.700 -0.009 0.000 1.007 1256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 1256 T CB 1.405 70.169 68.868 -0.174 0.000 0.983 1256 T HN 0.240 nan 8.240 nan 0.000 0.455 1257 L N 2.946 124.164 121.223 -0.009 0.000 2.295 1257 L HA 0.506 4.846 4.340 0.000 0.000 0.285 1257 L C -1.027 175.931 176.870 0.147 0.000 1.035 1257 L CA -1.130 53.686 54.840 -0.039 0.000 0.806 1257 L CB 0.874 42.790 42.059 -0.238 0.000 1.214 1257 L HN 0.627 nan 8.230 nan 0.000 0.426 1258 Y N 4.063 124.417 120.300 0.090 0.000 2.388 1258 Y HA 0.489 5.039 4.550 -0.000 0.000 0.328 1258 Y C -0.931 174.923 175.900 -0.076 0.000 0.963 1258 Y CA -1.138 57.063 58.100 0.168 0.000 1.240 1258 Y CB 0.653 39.344 38.460 0.386 0.000 1.118 1258 Y HN 0.531 nan 8.280 nan 0.000 0.484 1259 N N 5.855 124.109 118.700 -0.743 0.000 2.312 1259 N HA 0.572 5.312 4.740 0.000 0.000 0.296 1259 N C -1.522 173.471 175.510 -0.860 0.000 1.193 1259 N CA -0.660 51.893 53.050 -0.828 0.000 0.773 1259 N CB 2.370 40.363 38.487 -0.823 0.000 1.435 1259 N HN 0.567 nan 8.380 nan 0.000 0.484 1260 L N 0.494 121.421 121.223 -0.493 0.000 2.346 1260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 1260 L C 0.017 176.882 176.870 -0.008 0.000 1.006 1260 L CA -0.545 54.181 54.840 -0.189 0.000 0.817 1260 L CB 1.714 43.649 42.059 -0.207 0.000 1.272 1260 L HN 0.380 nan 8.230 nan 0.000 0.421 1261 E N 2.080 122.412 120.200 0.221 0.000 2.390 1261 E HA 0.343 4.693 4.350 0.000 0.000 0.277 1261 E C -1.506 175.193 176.600 0.165 0.000 0.939 1261 E CA -0.819 55.712 56.400 0.218 0.000 0.769 1261 E CB 3.091 33.003 29.700 0.354 0.000 1.251 1261 E HN 0.670 nan 8.360 nan 0.000 0.450 1262 N N -0.009 118.724 118.700 0.055 0.000 2.453 1262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 1262 N C -1.084 174.463 175.510 0.063 0.000 1.250 1262 N CA -0.608 52.403 53.050 -0.066 0.000 0.815 1262 N CB 1.853 40.202 38.487 -0.230 0.000 1.381 1262 N HN 0.473 nan 8.380 nan 0.000 0.510 1263 S N -1.989 113.748 115.700 0.062 0.000 2.615 1263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 1263 S C -1.658 173.008 174.600 0.110 0.000 1.161 1263 S CA -0.897 57.371 58.200 0.114 0.000 0.817 1263 S CB 1.096 64.405 63.200 0.181 0.000 1.131 1263 S HN 1.093 nan 8.310 nan 0.000 0.467 1264 A N 0.859 123.751 122.820 0.121 0.000 2.414 1264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 1264 A C -1.164 176.507 177.584 0.144 0.000 1.054 1264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 1264 A CB 1.611 20.692 19.000 0.136 0.000 1.267 1264 A HN 0.689 nan 8.150 nan 0.000 0.418 1265 Q N 0.099 120.009 119.800 0.183 0.000 2.372 1265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 1265 Q C -0.700 175.469 176.000 0.281 0.000 1.078 1265 Q CA -0.599 55.359 55.803 0.259 0.000 0.806 1265 Q CB 2.518 31.456 28.738 0.333 0.000 1.332 1265 Q HN 1.086 nan 8.270 nan 0.000 0.435 1266 A N -0.433 122.559 122.820 0.286 0.000 2.486 1266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 1266 A C 0.208 177.908 177.584 0.194 0.000 1.176 1266 A CA -0.138 51.968 52.037 0.115 0.000 0.757 1266 A CB 1.613 20.651 19.000 0.064 0.000 1.337 1266 A HN 1.004 nan 8.150 nan 0.000 0.423 1267 G N -0.913 107.886 108.800 -0.002 0.000 2.155 1267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 1267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 1267 G C -0.400 174.482 174.900 -0.030 0.000 1.023 1267 G CA -0.081 45.077 45.100 0.096 0.000 0.688 1267 G HN 0.780 nan 8.290 nan 0.000 0.499 1268 L N 1.381 122.362 121.223 -0.403 0.000 2.397 1268 L HA 0.683 5.023 4.340 0.000 0.000 0.271 1268 L C 0.587 177.359 176.870 -0.163 0.000 1.148 1268 L CA 0.298 54.864 54.840 -0.457 0.000 0.825 1268 L CB 1.443 43.107 42.059 -0.659 0.000 1.117 1268 L HN 0.163 nan 8.230 nan 0.000 0.456 1269 T N 2.412 116.906 114.554 -0.099 0.000 2.916 1269 T HA 0.372 4.722 4.350 0.000 0.000 0.298 1269 T C -2.635 172.030 174.700 -0.057 0.000 1.031 1269 T CA -1.390 60.679 62.100 -0.051 0.000 0.993 1269 T CB 1.921 70.780 68.868 -0.014 0.000 1.045 1269 T HN 0.214 nan 8.240 nan 0.000 0.454 1270 P HA 0.055 nan 4.420 nan 0.000 0.261 1270 P C 0.363 177.634 177.300 -0.048 0.000 1.173 1270 P CA 0.437 63.511 63.100 -0.044 0.000 0.760 1270 P CB 0.147 31.831 31.700 -0.026 0.000 0.783 1271 N N -0.903 117.756 118.700 -0.069 0.000 2.753 1271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 1271 N C -0.609 174.866 175.510 -0.058 0.000 1.097 1271 N CA 0.755 53.766 53.050 -0.066 0.000 0.786 1271 N CB -1.650 36.821 38.487 -0.027 0.000 1.137 1271 N HN 0.186 nan 8.380 nan 0.000 0.566 1272 V N 0.923 120.798 119.914 -0.065 0.000 2.555 1272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 1272 V C 0.092 176.157 176.094 -0.048 0.000 1.038 1272 V CA -0.848 61.432 62.300 -0.033 0.000 0.887 1272 V CB 2.159 33.980 31.823 -0.003 0.000 0.991 1272 V HN -0.053 nan 8.190 nan 0.000 0.434 1273 D N 3.321 123.704 120.400 -0.029 0.000 2.434 1273 D HA 0.125 4.765 4.640 0.000 0.000 0.252 1273 D C -0.571 175.744 176.300 0.026 0.000 1.185 1273 D CA 0.497 54.476 54.000 -0.035 0.000 0.886 1273 D CB 0.415 41.218 40.800 0.004 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.599 123.455 119.950 -0.157 0.000 2.385 1274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 1274 F C -0.722 175.020 175.800 -0.096 0.000 1.122 1274 F CA -0.805 57.120 58.000 -0.125 0.000 1.090 1274 F CB 0.812 39.709 39.000 -0.171 0.000 1.150 1274 F HN -0.000 nan 8.300 nan 0.000 0.472 1275 V N 6.968 126.611 119.914 -0.451 0.000 2.384 1275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 1275 V C -0.570 175.271 176.094 -0.422 0.000 1.020 1275 V CA -0.892 61.216 62.300 -0.319 0.000 0.850 1275 V CB 1.419 33.132 31.823 -0.183 0.000 0.987 1275 V HN 0.493 nan 8.190 nan 0.000 0.436 1276 V N 5.466 125.229 119.914 -0.251 0.000 2.328 1276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 1276 V C 0.228 176.185 176.094 -0.227 0.000 1.021 1276 V CA -0.591 61.574 62.300 -0.226 0.000 0.838 1276 V CB 1.084 32.840 31.823 -0.112 0.000 0.999 1276 V HN 0.925 nan 8.190 nan 0.000 0.447 1277 Q N 3.215 122.892 119.800 -0.205 0.000 2.352 1277 Q HA 0.343 4.683 4.340 0.000 0.000 0.260 1277 Q C -1.143 174.609 176.000 -0.413 0.000 0.976 1277 Q CA -0.019 55.651 55.803 -0.222 0.000 0.881 1277 Q CB 0.977 29.641 28.738 -0.123 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.202 120.247 120.300 -0.426 0.000 2.320 1278 Y HA 0.404 4.954 4.550 0.000 0.000 0.324 1278 Y C 0.479 175.936 175.900 -0.739 0.000 1.190 1278 Y CA -0.567 57.149 58.100 -0.639 0.000 1.215 1278 Y CB 1.081 39.127 38.460 -0.690 0.000 1.221 1278 Y HN 0.668 nan 8.280 nan 0.000 0.486 1279 A N 2.408 124.956 122.820 -0.453 0.000 2.272 1279 A HA 0.401 4.721 4.320 0.000 0.000 0.275 1279 A C -0.258 177.122 177.584 -0.340 0.000 1.096 1279 A CA -0.731 50.871 52.037 -0.726 0.000 0.822 1279 A CB 0.059 18.821 19.000 -0.397 0.000 1.088 1279 A HN 0.876 nan 8.150 nan 0.000 0.495 1280 N N -1.416 117.117 118.700 -0.278 0.000 2.447 1280 N HA 0.479 5.219 4.740 0.000 0.000 0.271 1280 N C 0.204 175.609 175.510 -0.176 0.000 1.226 1280 N CA -0.021 52.915 53.050 -0.189 0.000 0.980 1280 N CB 1.033 39.441 38.487 -0.133 0.000 1.206 1280 N HN 1.418 nan 8.380 nan 0.000 0.558 1281 L N -3.362 117.807 121.223 -0.090 0.000 3.121 1281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 1281 L C -1.049 176.101 176.870 0.467 0.000 0.695 1281 L CA 1.598 56.543 54.840 0.176 0.000 3.096 1281 L CB -1.767 40.337 42.059 0.074 0.000 0.683 1281 L HN 0.745 nan 8.230 nan 0.000 0.743 1282 Y N 1.906 122.219 120.300 0.021 0.000 2.309 1282 Y HA 0.481 5.031 4.550 -0.000 0.000 0.327 1282 Y C 0.803 176.709 175.900 0.010 0.000 1.172 1282 Y CA -0.923 57.052 58.100 -0.209 0.000 1.280 1282 Y CB 0.503 38.364 38.460 -1.000 0.000 1.234 1282 Y HN 0.069 nan 8.280 nan 0.000 0.512 1283 R N 3.867 124.463 120.500 0.160 0.000 2.280 1283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 1283 R C -1.694 174.668 176.300 0.104 0.000 1.080 1283 R CA -0.643 55.549 56.100 0.154 0.000 1.002 1283 R CB 0.269 30.596 30.300 0.044 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.958 123.362 120.300 0.173 0.000 2.531 1284 Y HA 0.033 4.583 4.550 -0.000 0.000 0.347 1284 Y C 1.562 177.522 175.900 0.100 0.000 1.024 1284 Y CA -0.188 58.027 58.100 0.193 0.000 1.306 1284 Y CB 0.604 39.188 38.460 0.206 0.000 1.149 1284 Y HN 0.440 nan 8.280 nan 0.000 0.527 1285 L N 1.912 123.254 121.223 0.198 0.000 2.162 1285 L HA 0.028 4.368 4.340 0.000 0.000 0.205 1285 L C 0.769 177.749 176.870 0.183 0.000 1.086 1285 L CA 0.625 55.524 54.840 0.099 0.000 0.778 1285 L CB -0.128 41.911 42.059 -0.034 0.000 0.928 1285 L HN 0.624 nan 8.230 nan 0.000 0.446 1286 S N -1.968 113.902 115.700 0.283 0.000 2.570 1286 S HA 0.602 5.072 4.470 0.000 0.000 0.270 1286 S C -0.614 174.172 174.600 0.311 0.000 1.149 1286 S CA -0.684 57.654 58.200 0.230 0.000 0.837 1286 S CB 2.381 65.769 63.200 0.313 0.000 1.124 1286 S HN -0.071 nan 8.310 nan 0.000 0.465 1287 T N 1.976 116.624 114.554 0.157 0.000 2.886 1287 T HA 0.613 4.963 4.350 0.000 0.000 0.292 1287 T C -0.936 173.734 174.700 -0.050 0.000 1.012 1287 T CA -0.422 61.718 62.100 0.067 0.000 0.982 1287 T CB 0.886 69.832 68.868 0.131 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.269 122.741 120.570 -0.164 0.000 2.465 1288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 1288 I C -0.382 175.593 176.117 -0.238 0.000 1.014 1288 I CA -0.980 60.278 61.300 -0.069 0.000 1.093 1288 I CB 1.754 39.818 38.000 0.105 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.364 129.107 122.820 -0.129 0.000 2.335 1289 A HA 0.746 5.066 4.320 0.000 0.000 0.304 1289 A C -1.100 176.589 177.584 0.175 0.000 1.118 1289 A CA -0.472 51.506 52.037 -0.098 0.000 0.757 1289 A CB 1.379 20.210 19.000 -0.282 0.000 1.188 1289 A HN 0.394 nan 8.150 nan 0.000 0.460 1290 V N 3.310 123.354 119.914 0.218 0.000 2.370 1290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 1290 V C -0.661 175.650 176.094 0.362 0.000 1.023 1290 V CA -0.389 62.086 62.300 0.292 0.000 0.857 1290 V CB 1.208 33.171 31.823 0.232 0.000 0.985 1290 V HN 0.778 nan 8.190 nan 0.000 0.443 1291 F N 5.322 125.389 119.950 0.196 0.000 2.451 1291 F HA 0.367 4.894 4.527 0.000 0.000 0.356 1291 F C 0.442 176.145 175.800 -0.161 0.000 1.178 1291 F CA -1.849 56.178 58.000 0.046 0.000 1.210 1291 F CB 0.176 39.221 39.000 0.076 0.000 1.504 1291 F HN 0.607 nan 8.300 nan 0.000 0.598 1292 D N 4.132 124.531 120.400 -0.001 0.000 2.435 1292 D HA -0.027 4.613 4.640 0.000 0.000 0.230 1292 D C -0.068 175.907 176.300 -0.542 0.000 1.215 1292 D CA 0.088 53.772 54.000 -0.526 0.000 0.947 1292 D CB -0.315 40.424 40.800 -0.100 0.000 1.048 1292 D HN 0.255 nan 8.370 nan 0.000 0.512 1293 N N 2.861 120.987 118.700 -0.958 0.000 3.178 1293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 1293 N C 0.743 175.957 175.510 -0.493 0.000 1.242 1293 N CA 0.455 52.996 53.050 -0.848 0.000 1.192 1293 N CB -0.463 37.328 38.487 -1.160 0.000 1.463 1293 N HN 0.617 nan 8.380 nan 0.000 0.539 1294 G N 0.791 109.399 108.800 -0.321 0.000 2.295 1294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 1294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 1294 G C 0.965 175.740 174.900 -0.208 0.000 1.055 1294 G CA 0.514 45.492 45.100 -0.203 0.000 0.922 1294 G HN 1.085 nan 8.290 nan 0.000 0.503 1295 G N -2.340 106.293 108.800 -0.278 0.000 2.195 1295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 1295 G C 0.458 175.236 174.900 -0.204 0.000 0.984 1295 G CA 0.680 45.686 45.100 -0.157 0.000 0.633 1295 G HN 1.750 nan 8.290 nan 0.000 0.525 1296 S N 0.117 115.565 115.700 -0.420 0.000 2.489 1296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 1296 S C -0.820 173.388 174.600 -0.653 0.000 1.151 1296 S CA -0.335 57.666 58.200 -0.332 0.000 1.082 1296 S CB 0.928 63.968 63.200 -0.267 0.000 1.019 1296 S HN 0.306 nan 8.310 nan 0.000 0.492 1297 F N 2.917 122.765 119.950 -0.170 0.000 2.445 1297 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 1297 F C 0.470 176.210 175.800 -0.100 0.000 1.125 1297 F CA -0.852 57.056 58.000 -0.153 0.000 0.983 1297 F CB 1.177 40.088 39.000 -0.147 0.000 1.198 1297 F HN 0.391 nan 8.300 nan 0.000 0.436 1298 N N 1.421 120.121 118.700 -0.001 0.000 2.430 1298 N HA 0.514 5.254 4.740 0.000 0.000 0.298 1298 N C -0.491 175.087 175.510 0.114 0.000 1.130 1298 N CA -0.708 52.363 53.050 0.034 0.000 0.894 1298 N CB 2.197 40.669 38.487 -0.025 0.000 1.209 1298 N HN 0.564 nan 8.380 nan 0.000 0.503 1299 A N 0.520 123.403 122.820 0.105 0.000 3.037 1299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 1299 A C 1.330 179.024 177.584 0.183 0.000 1.723 1299 A CA 0.281 52.398 52.037 0.134 0.000 1.413 1299 A CB -1.395 17.663 19.000 0.096 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.124 110.097 108.800 0.288 0.000 2.257 1300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G C 1.279 176.266 174.900 0.145 0.000 0.984 1300 G CA 1.608 46.870 45.100 0.269 0.000 0.626 1300 G HN 1.496 nan 8.290 nan 0.000 0.540 1301 T N -0.738 113.882 114.554 0.110 0.000 3.007 1301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 1301 T C 1.508 176.239 174.700 0.051 0.000 1.107 1301 T CA 1.796 63.936 62.100 0.067 0.000 1.118 1301 T CB -0.196 68.699 68.868 0.046 0.000 0.889 1301 T HN 0.605 nan 8.240 nan 0.000 0.506 1302 D N 0.413 120.855 120.400 0.070 0.000 2.368 1302 D HA 0.227 4.867 4.640 0.000 0.000 0.218 1302 D C 0.218 176.602 176.300 0.139 0.000 1.112 1302 D CA -0.467 53.581 54.000 0.081 0.000 0.834 1302 D CB -0.274 40.536 40.800 0.016 0.000 0.953 1302 D HN 0.471 nan 8.370 nan 0.000 0.505 1303 I N 0.431 121.039 120.570 0.064 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.644 176.711 176.117 -0.083 0.000 1.040 1303 I CA -0.881 60.385 61.300 -0.058 0.000 1.068 1303 I CB 2.122 40.023 38.000 -0.165 0.000 1.251 1303 I HN -0.270 nan 8.210 nan 0.000 0.424 1304 N N 3.696 122.298 118.700 -0.163 0.000 2.197 1304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 1304 N C -0.592 174.922 175.510 0.006 0.000 1.030 1304 N CA 1.370 54.367 53.050 -0.087 0.000 0.851 1304 N CB 0.287 38.680 38.487 -0.157 0.000 1.003 1304 N HN 0.633 nan 8.380 nan 0.000 0.430 1305 Y N -1.934 118.283 120.300 -0.137 0.000 2.713 1305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 1305 Y C -1.784 173.933 175.900 -0.305 0.000 1.222 1305 Y CA -1.430 56.571 58.100 -0.166 0.000 1.061 1305 Y CB 0.474 38.879 38.460 -0.091 0.000 1.314 1305 Y HN -0.277 nan 8.280 nan 0.000 0.453 1306 L N 1.695 122.833 121.223 -0.142 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.093 176.635 176.870 -0.237 0.000 1.014 1306 L CA -0.542 53.970 54.840 -0.548 0.000 0.820 1306 L CB 2.202 43.425 42.059 -1.395 0.000 1.352 1306 L HN 0.902 nan 8.230 nan 0.000 0.421 1307 S N -0.170 115.305 115.700 -0.375 0.000 2.636 1307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 1307 S C -2.101 172.391 174.600 -0.180 0.000 1.147 1307 S CA -0.630 57.548 58.200 -0.037 0.000 0.815 1307 S CB 1.536 64.749 63.200 0.021 0.000 1.119 1307 S HN 0.577 nan 8.310 nan 0.000 0.470 1308 Q N 1.130 120.938 119.800 0.013 0.000 2.321 1308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 1308 Q C -1.014 175.006 176.000 0.034 0.000 1.032 1308 Q CA -0.596 55.239 55.803 0.054 0.000 0.784 1308 Q CB 2.351 31.173 28.738 0.140 0.000 1.264 1308 Q HN 0.558 nan 8.270 nan 0.000 0.448 1309 R N 1.020 121.542 120.500 0.036 0.000 2.686 1309 R HA 0.549 4.889 4.340 0.000 0.000 0.283 1309 R C -1.188 175.121 176.300 0.015 0.000 0.978 1309 R CA -0.339 55.770 56.100 0.014 0.000 0.897 1309 R CB 1.736 32.037 30.300 0.001 0.000 1.192 1309 R HN 0.698 nan 8.270 nan 0.000 0.457 1310 T N 0.758 115.312 114.554 0.000 0.000 2.794 1310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 1310 T C 0.243 174.938 174.700 -0.009 0.000 0.987 1310 T CA -0.753 61.343 62.100 -0.007 0.000 0.993 1310 T CB 1.672 70.531 68.868 -0.013 0.000 0.939 1310 T HN 0.695 nan 8.240 nan 0.000 0.449 1311 A N 2.509 125.322 122.820 -0.010 0.000 2.566 1311 A HA 0.455 4.775 4.320 0.000 0.000 0.245 1311 A C 1.463 179.041 177.584 -0.011 0.000 1.056 1311 A CA 0.566 52.597 52.037 -0.010 0.000 0.757 1311 A CB -1.949 17.045 19.000 -0.010 0.000 0.979 1311 A HN 2.487 nan 8.150 nan 0.000 0.508 1312 N N -1.038 117.656 118.700 -0.010 0.000 2.756 1312 N HA 0.236 4.976 4.740 0.000 0.000 0.248 1312 N C 0.326 175.830 175.510 -0.010 0.000 1.062 1312 N CA 2.089 55.133 53.050 -0.010 0.000 0.696 1312 N CB -2.245 36.237 38.487 -0.009 0.000 0.946 1312 N HN 2.498 nan 8.380 nan 0.000 0.548 1313 F N -1.943 118.000 119.950 -0.011 0.000 3.281 1313 F HA 0.754 5.281 4.527 0.000 0.000 0.339 1313 F C 1.328 177.120 175.800 -0.014 0.000 1.275 1313 F CA 1.312 59.305 58.000 -0.012 0.000 0.843 1313 F CB -0.829 38.164 39.000 -0.011 0.000 1.717 1313 F HN 1.985 nan 8.300 nan 0.000 0.480 1314 S N 0.176 115.867 115.700 -0.015 0.000 3.160 1314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 1314 S C -0.365 174.224 174.600 -0.018 0.000 2.861 1314 S CA 1.513 59.702 58.200 -0.019 0.000 3.097 1314 S CB -1.137 62.047 63.200 -0.025 0.000 0.331 1314 S HN 1.121 nan 8.310 nan 0.000 1.767 1315 D N 0.783 121.168 120.400 -0.026 0.000 2.302 1315 D HA 0.460 5.100 4.640 0.000 0.000 0.248 1315 D C 1.217 177.507 176.300 -0.016 0.000 1.094 1315 D CA 0.408 54.395 54.000 -0.021 0.000 0.897 1315 D CB 1.045 41.822 40.800 -0.039 0.000 1.200 1315 D HN 0.639 nan 8.370 nan 0.000 0.429 1316 T N -1.209 113.343 114.554 -0.003 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.691 175.390 174.700 -0.001 0.000 1.081 1316 T CA -0.365 61.733 62.100 -0.005 0.000 1.040 1316 T CB -0.059 68.807 68.868 -0.004 0.000 0.962 1316 T HN 0.597 nan 8.240 nan 0.000 0.506 1317 R N 0.280 120.792 120.500 0.020 0.000 2.747 1317 R HA 0.303 4.643 4.340 0.000 0.000 0.200 1317 R C -0.950 175.421 176.300 0.117 0.000 1.438 1317 R CA -0.652 55.472 56.100 0.041 0.000 1.334 1317 R CB -0.336 29.964 30.300 0.000 0.000 1.523 1317 R HN 0.084 nan 8.270 nan 0.000 0.741 1318 K N 3.014 123.437 120.400 0.039 0.000 2.310 1318 K HA 0.323 4.643 4.320 0.000 0.000 0.290 1318 K C -0.967 175.653 176.600 0.034 0.000 1.077 1318 K CA -0.177 56.107 56.287 -0.004 0.000 0.922 1318 K CB 0.520 32.907 32.500 -0.189 0.000 1.057 1318 K HN 0.453 nan 8.250 nan 0.000 0.479 1319 L N 3.325 124.656 121.223 0.180 0.000 2.388 1319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 1319 L C -0.424 176.579 176.870 0.221 0.000 0.998 1319 L CA -1.368 53.598 54.840 0.209 0.000 0.817 1319 L CB 2.050 44.307 42.059 0.330 0.000 1.338 1319 L HN 0.745 nan 8.230 nan 0.000 0.414 1320 D N 0.522 121.025 120.400 0.171 0.000 2.368 1320 D HA 0.135 4.775 4.640 0.000 0.000 0.240 1320 D C -2.111 174.302 176.300 0.188 0.000 1.169 1320 D CA -1.151 52.943 54.000 0.157 0.000 0.906 1320 D CB 0.620 41.493 40.800 0.120 0.000 1.187 1320 D HN 0.194 nan 8.370 nan 0.000 0.435 1321 P HA -0.201 nan 4.420 nan 0.000 0.216 1321 P C 1.003 178.475 177.300 0.286 0.000 1.153 1321 P CA 1.535 64.739 63.100 0.173 0.000 0.858 1321 P CB 0.109 31.880 31.700 0.117 0.000 0.789 1322 K N -1.199 119.330 120.400 0.214 0.000 2.097 1322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 1322 K C 1.954 178.679 176.600 0.208 0.000 1.050 1322 K CA 1.605 58.012 56.287 0.200 0.000 0.938 1322 K CB -0.705 31.878 32.500 0.138 0.000 0.718 1322 K HN 0.157 nan 8.250 nan 0.000 0.442 1323 T N 0.519 115.193 114.554 0.200 0.000 2.904 1323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 1323 T C 1.179 176.012 174.700 0.222 0.000 1.059 1323 T CA 0.648 62.850 62.100 0.171 0.000 1.137 1323 T CB -0.133 68.816 68.868 0.135 0.000 0.879 1323 T HN 0.430 nan 8.240 nan 0.000 0.467 1324 W N 2.152 123.522 121.300 0.117 0.000 2.381 1324 W HA -0.063 4.597 4.660 -0.000 0.000 0.301 1324 W C 2.448 179.085 176.519 0.198 0.000 1.205 1324 W CA 1.220 58.654 57.345 0.150 0.000 1.285 1324 W CB -0.566 28.991 29.460 0.161 0.000 1.133 1324 W HN 0.289 nan 8.180 nan 0.000 0.521 1325 A N 0.885 123.999 122.820 0.490 0.000 1.972 1325 A HA -0.060 4.260 4.320 0.000 0.000 0.219 1325 A C 2.178 179.882 177.584 0.201 0.000 1.169 1325 A CA 2.474 54.733 52.037 0.369 0.000 0.635 1325 A CB -1.196 17.996 19.000 0.319 0.000 0.810 1325 A HN 0.288 nan 8.150 nan 0.000 0.446 1326 A N -0.742 122.170 122.820 0.152 0.000 1.902 1326 A HA -0.195 4.125 4.320 0.000 0.000 0.217 1326 A C 2.095 179.711 177.584 0.053 0.000 1.181 1326 A CA 1.692 53.782 52.037 0.088 0.000 0.623 1326 A CB -0.461 18.583 19.000 0.073 0.000 0.818 1326 A HN 0.510 nan 8.150 nan 0.000 0.443 1327 Q N -0.444 119.365 119.800 0.014 0.000 2.124 1327 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 1327 Q C 2.116 178.133 176.000 0.027 0.000 0.977 1327 Q CA 2.010 57.791 55.803 -0.036 0.000 0.850 1327 Q CB -1.323 27.308 28.738 -0.179 0.000 0.901 1327 Q HN 0.637 nan 8.270 nan 0.000 0.429 1328 T N 1.248 115.856 114.554 0.090 0.000 2.821 1328 T HA -0.074 4.276 4.350 0.000 0.000 0.267 1328 T C 1.819 176.582 174.700 0.105 0.000 1.046 1328 T CA 0.825 63.051 62.100 0.210 0.000 1.139 1328 T CB -0.063 69.025 68.868 0.368 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.726 121.268 120.500 0.069 0.000 2.159 1329 R HA 0.014 4.354 4.340 0.000 0.000 0.237 1329 R C 2.444 178.747 176.300 0.006 0.000 1.131 1329 R CA 0.798 56.908 56.100 0.018 0.000 0.982 1329 R CB -0.085 30.230 30.300 0.025 0.000 0.868 1329 R HN 0.242 nan 8.270 nan 0.000 0.453 1330 R N 0.149 120.664 120.500 0.024 0.000 2.235 1330 R HA 0.017 4.357 4.340 0.000 0.000 0.213 1330 R C 1.848 178.161 176.300 0.023 0.000 1.059 1330 R CA 0.691 56.801 56.100 0.017 0.000 0.997 1330 R CB 0.033 30.345 30.300 0.019 0.000 0.884 1330 R HN 0.170 nan 8.270 nan 0.000 0.462 1331 R N 0.450 120.977 120.500 0.045 0.000 2.146 1331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 1331 R C 2.029 178.313 176.300 -0.028 0.000 1.049 1331 R CA 0.771 56.905 56.100 0.056 0.000 1.029 1331 R CB 0.030 30.443 30.300 0.188 0.000 0.949 1331 R HN 0.313 nan 8.270 nan 0.000 0.471 1332 I N -3.938 116.575 120.570 -0.095 0.000 4.050 1332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 1332 I C 0.484 176.506 176.117 -0.158 0.000 1.473 1332 I CA 0.098 61.287 61.300 -0.185 0.000 1.124 1332 I CB 0.890 38.646 38.000 -0.406 0.000 1.129 1332 I HN -0.036 nan 8.210 nan 0.000 0.428 1333 A N 0.254 123.015 122.820 -0.098 0.000 2.861 1333 A HA -0.215 4.105 4.320 0.000 0.000 0.261 1333 A C 0.643 178.177 177.584 -0.083 0.000 1.351 1333 A CA 1.683 53.675 52.037 -0.076 0.000 0.904 1333 A CB -2.304 16.654 19.000 -0.070 0.000 1.076 1333 A HN 0.814 nan 8.150 nan 0.000 0.729 1334 T N -1.866 112.620 114.554 -0.114 0.000 2.654 1334 T HA 0.493 4.843 4.350 0.000 0.000 0.303 1334 T C -2.144 172.476 174.700 -0.133 0.000 1.656 1334 T CA 0.134 62.170 62.100 -0.106 0.000 0.971 1334 T CB 0.928 69.725 68.868 -0.119 0.000 1.811 1334 T HN 0.284 nan 8.240 nan 0.000 0.483 1335 D N 0.613 120.954 120.400 -0.097 0.000 2.181 1335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 1335 D C -0.253 175.963 176.300 -0.140 0.000 1.020 1335 D CA -0.113 53.852 54.000 -0.058 0.000 0.891 1335 D CB 0.814 41.628 40.800 0.023 0.000 1.187 1335 D HN 0.330 nan 8.370 nan 0.000 0.443 1336 F N 0.642 120.524 119.950 -0.113 0.000 2.399 1336 F HA 0.218 4.745 4.527 -0.000 0.000 0.313 1336 F C -1.330 174.362 175.800 -0.180 0.000 1.202 1336 F CA -1.254 56.602 58.000 -0.241 0.000 1.192 1336 F CB 0.034 38.786 39.000 -0.412 0.000 1.256 1336 F HN 0.079 nan 8.300 nan 0.000 0.558 1337 P HA -0.004 nan 4.420 nan 0.000 0.270 1337 P C -1.196 176.129 177.300 0.042 0.000 1.227 1337 P CA -0.269 62.887 63.100 0.094 0.000 0.788 1337 P CB 0.327 32.177 31.700 0.250 0.000 0.926 1338 K N 1.100 121.534 120.400 0.058 0.000 2.530 1338 K HA 0.142 4.462 4.320 0.000 0.000 0.280 1338 K C 1.283 177.940 176.600 0.095 0.000 1.004 1338 K CA 1.237 57.559 56.287 0.059 0.000 1.071 1338 K CB -0.734 31.822 32.500 0.093 0.000 0.876 1338 K HN 0.857 nan 8.250 nan 0.000 0.487 1339 G N 1.177 109.983 108.800 0.009 0.000 2.179 1339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 1339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 1339 G C 0.019 174.864 174.900 -0.092 0.000 0.977 1339 G CA 0.042 45.211 45.100 0.115 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.036 120.728 119.914 -0.370 0.000 2.370 1340 V HA 0.644 4.764 4.120 0.000 0.000 0.279 1340 V C -0.297 175.424 176.094 -0.621 0.000 1.029 1340 V CA -0.765 61.321 62.300 -0.357 0.000 0.870 1340 V CB 0.816 32.409 31.823 -0.385 0.000 0.984 1340 V HN 0.252 nan 8.190 nan 0.000 0.451 1341 Y N 4.263 124.607 120.300 0.073 0.000 2.376 1341 Y HA 0.603 5.153 4.550 -0.000 0.000 0.340 1341 Y C -0.485 175.600 175.900 0.309 0.000 0.965 1341 Y CA -0.774 57.473 58.100 0.244 0.000 1.078 1341 Y CB 1.745 40.291 38.460 0.143 0.000 1.193 1341 Y HN 0.639 nan 8.280 nan 0.000 0.452 1342 Y N 2.437 123.028 120.300 0.484 0.000 2.468 1342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 1342 Y C -1.128 175.057 175.900 0.474 0.000 1.021 1342 Y CA -1.797 56.489 58.100 0.309 0.000 1.079 1342 Y CB 1.700 40.258 38.460 0.164 0.000 1.226 1342 Y HN 0.798 nan 8.280 nan 0.000 0.460 1343 C N 6.546 125.562 119.300 -0.474 0.000 2.505 1343 C HA 0.365 4.825 4.460 0.000 0.000 0.342 1343 C C -1.389 173.189 174.990 -0.687 0.000 1.121 1343 C CA -0.701 58.096 59.018 -0.368 0.000 1.306 1343 C CB -0.023 27.889 27.740 0.288 0.000 1.897 1343 C HN 0.887 nan 8.230 nan 0.000 0.446 1344 D N 3.978 124.062 120.400 -0.527 0.000 2.274 1344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 1344 D C 0.038 176.296 176.300 -0.071 0.000 1.104 1344 D CA 0.239 54.107 54.000 -0.221 0.000 0.840 1344 D CB 0.788 41.597 40.800 0.016 0.000 1.100 1344 D HN 0.708 nan 8.370 nan 0.000 0.477 1345 N N 3.443 122.143 118.700 -0.000 0.000 2.451 1345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 1345 N C 1.086 176.618 175.510 0.037 0.000 1.410 1345 N CA -0.160 52.902 53.050 0.019 0.000 0.884 1345 N CB 0.709 39.215 38.487 0.032 0.000 1.332 1345 N HN 0.358 nan 8.380 nan 0.000 0.498 1346 R N 0.480 121.012 120.500 0.053 0.000 2.081 1346 R HA -0.044 4.296 4.340 0.000 0.000 0.235 1346 R C 0.775 177.088 176.300 0.021 0.000 1.131 1346 R CA 1.149 57.278 56.100 0.048 0.000 0.960 1346 R CB 0.098 30.463 30.300 0.108 0.000 0.856 1346 R HN 0.117 nan 8.270 nan 0.000 0.436 1347 D N 0.388 120.804 120.400 0.027 0.000 2.224 1347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 1347 D C 0.184 176.490 176.300 0.010 0.000 0.965 1347 D CA 1.254 55.265 54.000 0.017 0.000 0.852 1347 D CB 0.240 41.050 40.800 0.018 0.000 0.947 1347 D HN 0.116 nan 8.370 nan 0.000 0.494 1348 K N 0.823 121.230 120.400 0.012 0.000 2.752 1348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 1348 K C -2.753 173.860 176.600 0.022 0.000 1.069 1348 K CA -1.428 54.868 56.287 0.015 0.000 1.033 1348 K CB 2.478 34.985 32.500 0.011 0.000 1.229 1348 K HN -0.127 nan 8.250 nan 0.000 0.572 1349 P HA -0.028 nan 4.420 nan 0.000 0.266 1349 P C -0.095 177.255 177.300 0.085 0.000 1.195 1349 P CA -0.194 62.941 63.100 0.058 0.000 0.768 1349 P CB 0.461 32.190 31.700 0.049 0.000 0.838 1350 I N 3.738 124.348 120.570 0.067 0.000 2.587 1350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 1350 I C -0.048 176.195 176.117 0.209 0.000 1.134 1350 I CA 0.410 61.697 61.300 -0.021 0.000 1.410 1350 I CB -1.161 36.580 38.000 -0.432 0.000 1.392 1350 I HN 0.419 nan 8.210 nan 0.000 0.545 1351 Y N 6.237 126.540 120.300 0.006 0.000 2.317 1351 Y HA 0.158 4.708 4.550 -0.000 0.000 0.329 1351 Y C 1.098 177.003 175.900 0.009 0.000 1.101 1351 Y CA -0.873 57.256 58.100 0.048 0.000 1.228 1351 Y CB 1.345 39.835 38.460 0.050 0.000 1.123 1351 Y HN 0.725 nan 8.280 nan 0.000 0.457 1352 T N 1.361 115.785 114.554 -0.216 0.000 2.770 1352 T HA 0.062 4.412 4.350 0.000 0.000 0.263 1352 T C 1.945 176.457 174.700 -0.313 0.000 1.039 1352 T CA 2.367 64.332 62.100 -0.225 0.000 1.142 1352 T CB -0.625 68.139 68.868 -0.173 0.000 0.868 1352 T HN 1.591 nan 8.240 nan 0.000 0.435 1353 L N -2.138 118.797 121.223 -0.479 0.000 3.211 1353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 1353 L C 0.846 177.607 176.870 -0.181 0.000 0.707 1353 L CA 2.511 57.125 54.840 -0.377 0.000 2.938 1353 L CB -2.632 39.263 42.059 -0.273 0.000 0.825 1353 L HN 1.426 nan 8.230 nan 0.000 0.704 1354 Q N -1.850 117.867 119.800 -0.138 0.000 2.310 1354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 1354 Q C -0.496 175.484 176.000 -0.034 0.000 1.025 1354 Q CA -0.276 55.494 55.803 -0.055 0.000 0.772 1354 Q CB 0.850 29.564 28.738 -0.039 0.000 1.253 1354 Q HN 1.701 nan 8.270 nan 0.000 0.450 1355 Y N 1.553 121.799 120.300 -0.090 0.000 2.852 1355 Y HA 0.240 4.790 4.550 -0.000 0.000 0.343 1355 Y C 1.608 177.472 175.900 -0.060 0.000 1.280 1355 Y CA 2.273 60.324 58.100 -0.081 0.000 1.604 1355 Y CB 0.147 38.554 38.460 -0.087 0.000 1.216 1355 Y HN 1.374 nan 8.280 nan 0.000 0.541 1356 G N 2.070 110.684 108.800 -0.311 0.000 2.157 1356 G HA2 -0.429 3.531 3.960 0.000 0.000 0.248 1356 G HA3 -0.429 3.531 3.960 0.000 0.000 0.248 1356 G C 0.800 175.665 174.900 -0.058 0.000 0.979 1356 G CA 0.691 45.710 45.100 -0.136 0.000 0.650 1356 G HN 1.081 nan 8.290 nan 0.000 0.529 1357 N N -1.053 117.607 118.700 -0.067 0.000 2.364 1357 N HA 0.320 5.060 4.740 0.000 0.000 0.183 1357 N C 0.987 176.477 175.510 -0.033 0.000 1.022 1357 N CA 2.025 55.048 53.050 -0.045 0.000 0.883 1357 N CB 0.152 38.603 38.487 -0.060 0.000 0.965 1357 N HN 1.059 nan 8.380 nan 0.000 0.438 1358 V N -1.051 118.847 119.914 -0.028 0.000 2.789 1358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 1358 V C 0.373 176.570 176.094 0.172 0.000 1.073 1358 V CA -0.657 61.660 62.300 0.029 0.000 0.921 1358 V CB 1.505 33.294 31.823 -0.057 0.000 1.009 1358 V HN 0.526 nan 8.190 nan 0.000 0.426 1359 G N 1.604 110.516 108.800 0.188 0.000 2.619 1359 G HA2 0.673 4.633 3.960 0.000 0.000 0.296 1359 G HA3 0.673 4.633 3.960 0.000 0.000 0.296 1359 G C -1.938 173.107 174.900 0.242 0.000 1.334 1359 G CA -0.638 44.562 45.100 0.166 0.000 0.934 1359 G HN 0.488 nan 8.290 nan 0.000 0.476 1360 F N 1.840 121.786 119.950 -0.007 0.000 2.410 1360 F HA 0.636 5.163 4.527 -0.000 0.000 0.349 1360 F C -0.219 175.555 175.800 -0.044 0.000 1.117 1360 F CA -0.512 57.512 58.000 0.039 0.000 1.104 1360 F CB 1.649 40.611 39.000 -0.062 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.548 126.153 119.914 -0.516 0.000 2.513 1361 V HA 0.586 4.706 4.120 0.000 0.000 0.299 1361 V C -0.809 175.033 176.094 -0.420 0.000 1.035 1361 V CA -0.871 61.241 62.300 -0.314 0.000 0.889 1361 V CB 1.608 33.335 31.823 -0.160 0.000 0.988 1361 V HN 0.561 nan 8.190 nan 0.000 0.440 1362 V N 3.942 123.719 119.914 -0.229 0.000 2.482 1362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 1362 V C -0.379 175.499 176.094 -0.360 0.000 1.026 1362 V CA -0.632 61.467 62.300 -0.335 0.000 0.856 1362 V CB 1.934 33.588 31.823 -0.282 0.000 1.001 1362 V HN 0.896 nan 8.190 nan 0.000 0.424 1363 N N 7.084 125.426 118.700 -0.597 0.000 2.546 1363 N HA 0.371 5.111 4.740 0.000 0.000 0.238 1363 N C -2.729 172.486 175.510 -0.490 0.000 0.984 1363 N CA -1.616 51.067 53.050 -0.611 0.000 0.935 1363 N CB 2.505 40.311 38.487 -1.134 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.144 nan 4.420 nan 0.000 0.279 1364 P C 0.199 177.426 177.300 -0.120 0.000 1.239 1364 P CA -0.198 62.764 63.100 -0.230 0.000 0.789 1364 P CB 2.089 33.646 31.700 -0.238 0.000 0.933 1365 K N 1.628 122.002 120.400 -0.044 0.000 2.128 1365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 1365 K C 0.515 177.114 176.600 -0.002 0.000 1.050 1365 K CA 1.037 57.309 56.287 -0.025 0.000 0.966 1365 K CB 0.159 32.655 32.500 -0.006 0.000 0.759 1365 K HN 0.646 nan 8.250 nan 0.000 0.454 1366 T N -1.428 113.145 114.554 0.032 0.000 2.886 1366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 1366 T C -0.860 173.870 174.700 0.051 0.000 1.012 1366 T CA -0.928 61.181 62.100 0.016 0.000 0.982 1366 T CB 2.022 70.882 68.868 -0.013 0.000 1.018 1366 T HN -0.181 nan 8.240 nan 0.000 0.451 1367 V N 4.147 124.072 119.914 0.019 0.000 2.443 1367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 1367 V C -0.320 175.754 176.094 -0.033 0.000 1.021 1367 V CA -1.030 61.288 62.300 0.030 0.000 0.848 1367 V CB 1.311 33.142 31.823 0.013 0.000 0.998 1367 V HN 0.900 nan 8.190 nan 0.000 0.424 1368 N N 2.560 121.212 118.700 -0.080 0.000 2.413 1368 N HA 0.305 5.045 4.740 0.000 0.000 0.266 1368 N C -0.020 175.446 175.510 -0.073 0.000 1.238 1368 N CA -0.653 52.342 53.050 -0.092 0.000 0.972 1368 N CB 0.518 38.919 38.487 -0.143 0.000 1.210 1368 N HN 0.541 nan 8.380 nan 0.000 0.547 1369 Q N 1.221 120.983 119.800 -0.064 0.000 2.337 1369 Q HA 0.067 4.407 4.340 0.000 0.000 0.270 1369 Q C -0.095 175.873 176.000 -0.054 0.000 1.002 1369 Q CA 0.362 56.136 55.803 -0.048 0.000 0.888 1369 Q CB 0.098 28.813 28.738 -0.037 0.000 1.222 1369 Q HN 0.471 nan 8.270 nan 0.000 0.400 1370 N N -1.124 117.553 118.700 -0.038 0.000 2.776 1370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 1370 N C -0.729 174.755 175.510 -0.044 0.000 1.111 1370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 1370 N CB -1.288 37.183 38.487 -0.027 0.000 1.065 1370 N HN 0.675 nan 8.380 nan 0.000 0.556 1371 A N 0.775 123.568 122.820 -0.046 0.000 2.351 1371 A HA 0.701 5.021 4.320 0.000 0.000 0.257 1371 A C 0.869 178.449 177.584 -0.007 0.000 1.087 1371 A CA 0.178 52.202 52.037 -0.021 0.000 0.798 1371 A CB 0.674 19.701 19.000 0.044 0.000 1.033 1371 A HN 0.479 nan 8.150 nan 0.000 0.488 1372 R N 0.553 121.084 120.500 0.051 0.000 2.709 1372 R HA 0.577 4.917 4.340 0.000 0.000 0.270 1372 R C -2.142 174.221 176.300 0.105 0.000 1.038 1372 R CA -0.927 55.187 56.100 0.023 0.000 0.872 1372 R CB 0.786 31.121 30.300 0.058 0.000 1.259 1372 R HN 0.452 nan 8.270 nan 0.000 0.473 1373 L N 2.522 123.793 121.223 0.081 0.000 2.296 1373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 1373 L C -0.679 176.293 176.870 0.170 0.000 1.023 1373 L CA -1.046 53.875 54.840 0.136 0.000 0.812 1373 L CB 1.648 43.789 42.059 0.138 0.000 1.223 1373 L HN 0.448 nan 8.230 nan 0.000 0.421 1374 L N 4.767 126.118 121.223 0.212 0.000 2.262 1374 L HA 0.422 4.762 4.340 0.000 0.000 0.288 1374 L C -0.101 176.872 176.870 0.173 0.000 1.035 1374 L CA -0.285 54.713 54.840 0.263 0.000 0.820 1374 L CB 1.133 43.468 42.059 0.461 0.000 1.204 1374 L HN 0.487 nan 8.230 nan 0.000 0.424 1375 M N 2.406 122.008 119.600 0.003 0.000 2.367 1375 M HA 0.549 5.029 4.480 0.000 0.000 0.339 1375 M C 0.377 176.386 176.300 -0.484 0.000 1.177 1375 M CA -0.384 54.736 55.300 -0.301 0.000 1.068 1375 M CB 1.451 33.828 32.600 -0.372 0.000 1.602 1375 M HN 0.564 nan 8.290 nan 0.000 0.457 1376 G N 2.447 110.770 108.800 -0.795 0.000 2.687 1376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 1376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 1376 G C -2.035 172.395 174.900 -0.783 0.000 1.416 1376 G CA -0.284 44.135 45.100 -1.134 0.000 1.005 1376 G HN 0.581 nan 8.290 nan 0.000 0.509 1377 Y N 0.194 120.496 120.300 0.003 0.000 2.499 1377 Y HA 0.567 5.117 4.550 0.000 0.000 0.347 1377 Y C 0.284 176.417 175.900 0.389 0.000 0.987 1377 Y CA -0.909 57.399 58.100 0.347 0.000 1.044 1377 Y CB 2.738 41.525 38.460 0.545 0.000 1.245 1377 Y HN 0.420 nan 8.280 nan 0.000 0.461 1378 E N 2.369 122.877 120.200 0.514 0.000 2.176 1378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 1378 E C -1.724 175.019 176.600 0.239 0.000 0.893 1378 E CA -0.757 55.786 56.400 0.238 0.000 0.761 1378 E CB 1.687 31.560 29.700 0.289 0.000 1.133 1378 E HN 0.559 nan 8.360 nan 0.000 0.409 1379 Y N 0.855 121.140 120.300 -0.025 0.000 2.670 1379 Y HA 0.587 5.137 4.550 -0.000 0.000 0.334 1379 Y C -1.704 174.131 175.900 -0.109 0.000 1.185 1379 Y CA -1.447 56.545 58.100 -0.180 0.000 1.053 1379 Y CB 1.016 39.218 38.460 -0.429 0.000 1.298 1379 Y HN 0.307 nan 8.280 nan 0.000 0.459 1380 F N 0.650 120.697 119.950 0.163 0.000 2.522 1380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 1380 F C 0.120 175.971 175.800 0.086 0.000 1.077 1380 F CA -0.945 57.100 58.000 0.074 0.000 0.944 1380 F CB 2.563 41.557 39.000 -0.009 0.000 1.175 1380 F HN 0.722 nan 8.300 nan 0.000 0.468 1381 T N 1.118 115.817 114.554 0.242 0.000 2.957 1381 T HA 0.277 4.627 4.350 0.000 0.000 0.336 1381 T C -1.064 173.686 174.700 0.083 0.000 1.462 1381 T CA -0.779 61.411 62.100 0.150 0.000 1.073 1381 T CB 1.213 70.127 68.868 0.077 0.000 1.319 1381 T HN 0.695 nan 8.240 nan 0.000 0.485 1382 S N 3.251 118.999 115.700 0.080 0.000 2.580 1382 S HA 0.356 4.826 4.470 0.000 0.000 0.274 1382 S C 1.258 175.885 174.600 0.044 0.000 1.329 1382 S CA -0.571 57.654 58.200 0.041 0.000 1.036 1382 S CB 0.948 64.174 63.200 0.043 0.000 0.919 1382 S HN 0.805 nan 8.310 nan 0.000 0.515 1383 R N 1.625 122.138 120.500 0.022 0.000 2.193 1383 R HA 0.043 4.383 4.340 0.000 0.000 0.229 1383 R C 1.640 177.963 176.300 0.039 0.000 1.110 1383 R CA 1.042 57.155 56.100 0.021 0.000 0.988 1383 R CB -1.761 28.551 30.300 0.021 0.000 0.871 1383 R HN 1.083 nan 8.270 nan 0.000 0.458 1384 T N -0.558 114.022 114.554 0.043 0.000 0.543 1384 T HA -0.186 4.164 4.350 0.000 0.000 0.774 1384 T C 0.284 175.008 174.700 0.039 0.000 0.992 1384 T CA 1.753 63.881 62.100 0.046 0.000 4.076 1384 T CB -0.835 68.069 68.868 0.060 0.000 2.302 1384 T HN 0.573 nan 8.240 nan 0.000 0.398 1385 E N 0.000 120.223 120.200 0.038 0.000 2.725 1385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1385 E CA 0.000 nan 56.400 nan 0.000 0.976 1385 E CB 0.000 nan 29.700 nan 0.000 0.812 1385 E HN 0.000 nan 8.360 nan 0.000 0.440