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 1gw8_1_J DATA FIRST_RESID 1015 DATA SEQUENCE ALRNQAMAAN 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 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1015 A C 0.000 177.586 177.584 0.003 0.000 1.274 1015 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1015 A CB 0.000 19.003 19.000 0.005 0.000 0.831 1016 L N 0.636 121.861 121.223 0.003 0.000 2.749 1016 L HA 0.380 4.720 4.340 0.000 0.000 0.245 1016 L C 2.205 179.075 176.870 -0.001 0.000 1.156 1016 L CA 2.420 57.261 54.840 0.001 0.000 0.890 1016 L CB -2.542 39.519 42.059 0.003 0.000 1.036 1016 L HN 1.282 nan 8.230 nan 0.000 0.441 1017 R N -0.222 120.277 120.500 -0.002 0.000 2.062 1017 R HA -0.128 4.212 4.340 0.000 0.000 0.229 1017 R C 2.404 178.698 176.300 -0.009 0.000 1.128 1017 R CA 2.346 58.442 56.100 -0.006 0.000 0.960 1017 R CB -2.137 28.160 30.300 -0.005 0.000 0.855 1017 R HN 0.972 nan 8.270 nan 0.000 0.432 1018 N N 1.520 120.216 118.700 -0.007 0.000 2.091 1018 N HA -0.326 4.414 4.740 0.000 0.000 0.193 1018 N C 2.186 177.691 175.510 -0.009 0.000 1.021 1018 N CA 1.966 55.011 53.050 -0.009 0.000 0.862 1018 N CB -0.563 37.920 38.487 -0.006 0.000 1.018 1018 N HN 0.836 nan 8.380 nan 0.000 0.429 1019 Q N -0.530 119.266 119.800 -0.006 0.000 2.079 1019 Q HA 0.068 4.408 4.340 0.000 0.000 0.200 1019 Q C 2.822 178.818 176.000 -0.007 0.000 0.974 1019 Q CA 1.335 57.135 55.803 -0.005 0.000 0.840 1019 Q CB -0.223 28.514 28.738 -0.002 0.000 0.898 1019 Q HN 0.749 nan 8.270 nan 0.000 0.430 1020 A N 1.268 124.083 122.820 -0.008 0.000 1.877 1020 A HA -0.173 4.147 4.320 0.000 0.000 0.216 1020 A C 2.143 179.716 177.584 -0.018 0.000 1.186 1020 A CA 1.471 53.502 52.037 -0.011 0.000 0.620 1020 A CB -0.516 18.478 19.000 -0.011 0.000 0.822 1020 A HN 0.270 nan 8.150 nan 0.000 0.443 1021 M N -0.600 118.987 119.600 -0.022 0.000 2.132 1021 M HA -0.110 4.370 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 1.351 56.633 55.300 -0.031 0.000 1.122 1021 M CB -0.518 32.062 32.600 -0.034 0.000 1.365 1021 M HN 0.479 nan 8.290 nan 0.000 0.411 1022 A N 0.663 123.472 122.820 -0.018 0.000 1.902 1022 A HA -0.065 4.255 4.320 0.000 0.000 0.217 1022 A C 2.400 179.976 177.584 -0.012 0.000 1.181 1022 A CA 2.042 54.071 52.037 -0.014 0.000 0.623 1022 A CB -0.898 18.096 19.000 -0.010 0.000 0.818 1022 A HN 0.492 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 -0.196 4.124 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 2.050 54.083 52.037 -0.006 0.000 0.616 1023 A CB -0.849 18.149 19.000 -0.003 0.000 0.823 1023 A HN 0.657 nan 8.150 nan 0.000 0.442 1024 N N -0.275 118.416 118.700 -0.016 0.000 2.036 1024 N HA -0.199 4.541 4.740 0.000 0.000 0.195 1024 N C 1.582 177.077 175.510 -0.025 0.000 1.037 1024 N CA 1.898 54.935 53.050 -0.023 0.000 0.855 1024 N CB -0.362 38.103 38.487 -0.037 0.000 1.033 1024 N HN 0.294 nan 8.380 nan 0.000 0.423 1025 L N 1.087 122.294 121.223 -0.028 0.000 2.083 1025 L HA -0.133 4.207 4.340 0.000 0.000 0.209 1025 L C 2.337 179.196 176.870 -0.018 0.000 1.083 1025 L CA 1.781 56.605 54.840 -0.027 0.000 0.752 1025 L CB -1.151 40.892 42.059 -0.027 0.000 0.899 1025 L HN 0.431 nan 8.230 nan 0.000 0.433 1026 Q N -0.915 118.878 119.800 -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 -0.179 28.557 28.738 -0.003 0.000 0.898 1026 Q HN 0.624 nan 8.270 nan 0.000 0.430 1027 A N 1.354 124.172 122.820 -0.004 0.000 1.933 1027 A HA -0.210 4.110 4.320 0.000 0.000 0.218 1027 A C 2.135 179.715 177.584 -0.006 0.000 1.175 1027 A CA 1.467 53.505 52.037 0.000 0.000 0.628 1027 A CB -0.682 18.320 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 2.083 1028 R HA -0.187 4.153 4.340 0.000 0.000 0.237 1028 R C 2.287 178.577 176.300 -0.016 0.000 1.137 1028 R CA 1.881 57.970 56.100 -0.018 0.000 0.951 1028 R CB -0.358 29.928 30.300 -0.024 0.000 0.851 1028 R HN 0.695 nan 8.270 nan 0.000 0.434 1029 Q N 0.101 119.892 119.800 -0.014 0.000 2.124 1029 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 1029 Q C 2.275 178.269 176.000 -0.010 0.000 0.977 1029 Q CA 1.531 57.326 55.803 -0.013 0.000 0.850 1029 Q CB -0.093 28.638 28.738 -0.011 0.000 0.901 1029 Q HN 0.475 nan 8.270 nan 0.000 0.429 1030 I N 0.169 120.736 120.570 -0.005 0.000 2.252 1030 I HA -0.232 3.938 4.170 0.000 0.000 0.245 1030 I C 2.308 178.424 176.117 -0.002 0.000 1.102 1030 I CA 0.746 62.047 61.300 0.001 0.000 1.385 1030 I CB -0.268 37.737 38.000 0.009 0.000 1.064 1030 I HN 0.008 nan 8.210 nan 0.000 0.414 1031 V N 1.203 121.112 119.914 -0.009 0.000 2.295 1031 V HA -0.276 3.844 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 1.762 64.051 62.300 -0.019 0.000 1.024 1031 V CB -0.438 31.369 31.823 -0.027 0.000 0.648 1031 V HN 0.360 nan 8.190 nan 0.000 0.447 1032 L N -0.370 120.838 121.223 -0.025 0.000 2.083 1032 L HA -0.239 4.101 4.340 0.000 0.000 0.209 1032 L C 2.623 179.473 176.870 -0.034 0.000 1.083 1032 L CA 1.984 56.803 54.840 -0.036 0.000 0.752 1032 L CB -0.563 41.475 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 0.298 120.105 119.800 0.010 0.000 2.250 1034 Q HA 0.053 4.393 4.340 0.000 0.000 0.200 1034 Q C 1.240 177.266 176.000 0.043 0.000 0.941 1034 Q CA 0.748 56.568 55.803 0.028 0.000 0.872 1034 Q CB 0.426 29.180 28.738 0.026 0.000 0.965 1034 Q HN 0.346 nan 8.270 nan 0.000 0.480 1035 S N -0.565 115.150 115.700 0.025 0.000 2.634 1035 S HA 0.319 4.789 4.470 0.000 0.000 0.261 1035 S C -0.580 174.065 174.600 0.075 0.000 1.271 1035 S CA -0.632 57.593 58.200 0.042 0.000 0.985 1035 S CB 0.780 63.982 63.200 0.004 0.000 0.968 1035 S HN 0.205 nan 8.310 nan 0.000 0.568 1036 Y N 0.841 121.120 120.300 -0.034 0.000 2.391 1036 Y HA 0.524 5.074 4.550 -0.000 0.000 0.341 1036 Y C -2.830 173.014 175.900 -0.093 0.000 0.965 1036 Y CA -2.285 55.785 58.100 -0.051 0.000 1.067 1036 Y CB 1.906 40.342 38.460 -0.041 0.000 1.199 1036 Y HN 0.517 nan 8.280 nan 0.000 0.450 1037 P HA 0.232 nan 4.420 nan 0.000 0.276 1037 P C -1.399 175.744 177.300 -0.261 0.000 1.230 1037 P CA 0.033 62.916 63.100 -0.362 0.000 0.776 1037 P CB 1.053 32.514 31.700 -0.400 0.000 0.888 1038 V N 4.747 124.447 119.914 -0.357 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.273 175.631 176.094 -0.317 0.000 1.077 1038 V CA -0.634 61.448 62.300 -0.364 0.000 0.910 1038 V CB 2.345 33.754 31.823 -0.689 0.000 1.008 1038 V HN 0.472 nan 8.190 nan 0.000 0.424 1039 I N 3.702 124.225 120.570 -0.079 0.000 2.418 1039 I HA 0.627 4.797 4.170 0.000 0.000 0.287 1039 I C -0.744 175.491 176.117 0.196 0.000 1.008 1039 I CA -0.094 61.251 61.300 0.074 0.000 1.104 1039 I CB 1.520 39.556 38.000 0.060 0.000 1.264 1039 I HN 0.843 nan 8.210 nan 0.000 0.438 1040 Q N 6.673 126.677 119.800 0.340 0.000 2.331 1040 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 1040 Q C -1.444 174.782 176.000 0.376 0.000 1.062 1040 Q CA -0.756 55.268 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 2.042 121.996 119.800 0.257 0.000 2.311 1041 Q HA 0.166 4.506 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 0.176 55.924 55.803 -0.092 0.000 0.891 1041 Q CB 0.977 29.585 28.738 -0.217 0.000 1.201 1041 Q HN 0.643 nan 8.270 nan 0.000 0.391 1042 V N 0.088 120.008 119.914 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 0.421 62.758 62.300 0.060 0.000 1.068 1042 V CB 0.402 32.302 31.823 0.128 0.000 0.837 1042 V HN 0.834 nan 8.190 nan 0.000 0.450 1043 E N -0.619 119.573 120.200 -0.014 0.000 2.400 1043 E HA 0.521 4.871 4.350 0.000 0.000 0.285 1043 E C -1.582 174.962 176.600 -0.094 0.000 1.005 1043 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 1043 E CB 2.196 31.938 29.700 0.071 0.000 1.220 1043 E HN 0.270 nan 8.360 nan 0.000 0.426 1044 T N 2.554 116.989 114.554 -0.198 0.000 2.909 1044 T HA 0.559 4.909 4.350 0.000 0.000 0.299 1044 T C -1.392 173.006 174.700 -0.503 0.000 1.073 1044 T CA -0.643 61.247 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 0.789 120.106 119.800 -0.805 0.000 2.438 1045 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 1045 Q C -1.825 173.879 176.000 -0.493 0.000 0.994 1045 Q CA -0.582 54.825 55.803 -0.660 0.000 0.887 1045 Q CB 1.929 30.169 28.738 -0.830 0.000 1.432 1045 Q HN 0.657 nan 8.270 nan 0.000 0.392 1046 T N 3.630 118.054 114.554 -0.217 0.000 2.841 1046 T HA 0.815 5.165 4.350 0.000 0.000 0.283 1046 T C -1.158 173.561 174.700 0.031 0.000 1.000 1046 T CA -0.400 61.612 62.100 -0.147 0.000 0.977 1046 T CB 0.469 69.253 68.868 -0.138 0.000 0.979 1046 T HN 0.476 nan 8.240 nan 0.000 0.446 1047 F N -0.496 119.359 119.950 -0.159 0.000 2.745 1047 F HA 0.740 5.267 4.527 0.000 0.000 0.316 1047 F C -1.729 174.054 175.800 -0.028 0.000 1.155 1047 F CA -1.262 56.710 58.000 -0.047 0.000 0.937 1047 F CB 1.242 40.281 39.000 0.065 0.000 1.361 1047 F HN 0.330 nan 8.300 nan 0.000 0.472 1048 D N 1.373 121.855 120.400 0.136 0.000 2.381 1048 D HA 0.426 5.066 4.640 0.000 0.000 0.235 1048 D C -2.170 174.267 176.300 0.228 0.000 1.068 1048 D CA -2.405 51.627 54.000 0.052 0.000 0.832 1048 D CB 2.293 43.145 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 1.000 64.238 63.100 0.230 0.000 0.800 1049 P CB 0.312 32.021 31.700 0.015 0.000 0.772 1050 A N -0.728 122.202 122.820 0.183 0.000 2.015 1050 A HA -0.174 4.146 4.320 0.000 0.000 0.219 1050 A C 2.058 179.715 177.584 0.122 0.000 1.163 1050 A CA 1.585 53.712 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 -1.415 117.367 118.700 0.137 0.000 2.387 1051 N HA 0.102 4.842 4.740 0.000 0.000 0.176 1051 N C 0.751 176.302 175.510 0.067 0.000 1.022 1051 N CA 0.578 53.688 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 0.559 nan 8.380 nan 0.000 0.435 1052 R N -0.739 119.826 120.500 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 -0.001 0.000 1.046 1052 R CA -0.071 55.999 56.100 -0.049 0.000 0.885 1052 R CB 0.735 30.895 30.300 -0.234 0.000 1.254 1052 R HN 0.059 nan 8.270 nan 0.000 0.465 1053 S N 0.104 115.725 115.700 -0.133 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.676 173.939 174.600 0.024 0.000 1.029 1053 S CA -0.318 57.934 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 2.885 122.582 119.914 -0.362 0.000 2.448 1054 V HA 0.678 4.798 4.120 0.000 0.000 0.295 1054 V C -1.341 174.366 176.094 -0.644 0.000 1.025 1054 V CA -0.421 61.700 62.300 -0.298 0.000 0.859 1054 V CB 0.994 32.683 31.823 -0.223 0.000 0.988 1054 V HN 0.425 nan 8.190 nan 0.000 0.431 1055 F N 2.141 122.018 119.950 -0.122 0.000 2.576 1055 F HA 0.508 5.035 4.527 -0.000 0.000 0.313 1055 F C -0.073 175.646 175.800 -0.136 0.000 1.078 1055 F CA -0.846 57.084 58.000 -0.117 0.000 0.921 1055 F CB 1.966 40.912 39.000 -0.092 0.000 1.232 1055 F HN 0.381 nan 8.300 nan 0.000 0.459 1056 D N 2.593 123.028 120.400 0.059 0.000 2.453 1056 D HA 0.361 5.001 4.640 0.000 0.000 0.238 1056 D C -1.176 175.130 176.300 0.010 0.000 1.088 1056 D CA -0.085 53.906 54.000 -0.016 0.000 0.854 1056 D CB 1.645 42.412 40.800 -0.056 0.000 1.076 1056 D HN 0.219 nan 8.370 nan 0.000 0.533 1057 V N 3.364 123.257 119.914 -0.035 0.000 2.546 1057 V HA 0.276 4.396 4.120 0.000 0.000 0.284 1057 V C 0.688 176.744 176.094 -0.064 0.000 1.050 1057 V CA -0.224 62.060 62.300 -0.027 0.000 0.981 1057 V CB 1.681 33.458 31.823 -0.077 0.000 0.990 1057 V HN 0.529 nan 8.190 nan 0.000 0.474 1058 T N 7.281 121.821 114.554 -0.023 0.000 2.801 1058 T HA 0.385 4.735 4.350 0.000 0.000 0.306 1058 T C -2.333 172.373 174.700 0.009 0.000 1.020 1058 T CA -0.868 61.219 62.100 -0.022 0.000 0.948 1058 T CB 1.203 70.065 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 -0.714 176.645 177.300 0.098 0.000 1.250 1059 P CA -0.562 62.623 63.100 0.141 0.000 0.793 1059 P CB 0.473 32.360 31.700 0.311 0.000 1.011 1060 A N 1.177 124.047 122.820 0.084 0.000 2.327 1060 A HA 0.229 4.549 4.320 0.000 0.000 0.283 1060 A C 0.012 177.573 177.584 -0.040 0.000 1.127 1060 A CA -0.473 51.562 52.037 -0.004 0.000 0.810 1060 A CB -0.380 18.585 19.000 -0.059 0.000 1.066 1060 A HN 0.572 nan 8.150 nan 0.000 0.492 1061 N N 0.920 119.598 118.700 -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 53.002 53.050 -0.032 0.000 1.026 1061 N CB 0.934 39.421 38.487 0.001 0.000 1.335 1061 N HN 0.390 nan 8.380 nan 0.000 0.516 1062 V N 1.565 121.373 119.914 -0.176 0.000 2.733 1062 V HA 0.675 4.795 4.120 0.000 0.000 0.306 1062 V C 0.634 176.622 176.094 -0.176 0.000 1.084 1062 V CA 0.175 62.349 62.300 -0.211 0.000 0.905 1062 V CB 0.940 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 6.263 115.043 108.800 -0.033 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 -0.097 174.810 174.900 0.012 0.000 1.273 1063 G CA 0.539 45.650 45.100 0.017 0.000 0.974 1063 G HN 1.248 nan 8.290 nan 0.000 0.552 1064 I N 0.768 121.367 120.570 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 -0.722 60.597 61.300 0.032 0.000 1.226 1064 I CB 1.567 39.571 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 0.924 176.957 176.094 -0.101 0.000 1.047 1065 V CA -0.283 61.991 62.300 -0.044 0.000 0.955 1065 V CB 1.116 32.867 31.823 -0.120 0.000 0.988 1065 V HN 0.754 nan 8.190 nan 0.000 0.471 1066 K N 2.925 123.267 120.400 -0.097 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.807 177.316 176.600 -0.152 0.000 1.052 1066 K CA 0.723 56.992 56.287 -0.030 0.000 0.984 1066 K CB 0.764 33.331 32.500 0.112 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.222 108.715 108.800 -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 -1.975 172.058 174.900 -1.444 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 -0.455 118.893 119.950 -1.003 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 -0.806 56.950 58.000 -0.406 0.000 0.911 1068 F CB 2.396 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 4.622 126.099 121.223 0.425 0.000 2.265 1069 L HA 0.698 5.038 4.340 0.000 0.000 0.289 1069 L C -1.033 176.175 176.870 0.563 0.000 1.033 1069 L CA -0.479 54.749 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 5.640 125.850 119.914 0.493 0.000 2.347 1070 V HA 0.400 4.520 4.120 0.000 0.000 0.280 1070 V C 0.043 176.332 176.094 0.325 0.000 1.021 1070 V CA -0.788 61.742 62.300 0.383 0.000 0.847 1070 V CB 1.178 33.159 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 -1.389 175.210 176.600 -0.003 0.000 1.024 1071 K CA -0.388 55.749 56.287 -0.250 0.000 0.887 1071 K CB 1.593 33.955 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 0.359 4.479 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 61.550 62.300 0.141 0.000 0.865 1072 V CB 1.670 33.703 31.823 0.350 0.000 0.995 1072 V HN 1.000 nan 8.190 nan 0.000 0.424 1073 T N 1.324 115.898 114.554 0.033 0.000 2.887 1073 T HA 0.957 5.307 4.350 0.000 0.000 0.288 1073 T C -0.490 174.227 174.700 0.028 0.000 1.021 1073 T CA -0.539 61.579 62.100 0.030 0.000 1.000 1073 T CB 2.270 71.142 68.868 0.008 0.000 1.034 1073 T HN 1.354 nan 8.240 nan 0.000 0.467 1074 A N 0.837 123.709 122.820 0.085 0.000 2.594 1074 A HA 0.908 5.228 4.320 0.000 0.000 0.295 1074 A C -0.950 176.725 177.584 0.152 0.000 1.071 1074 A CA -0.807 51.311 52.037 0.135 0.000 0.685 1074 A CB 1.270 20.455 19.000 0.308 0.000 1.285 1074 A HN 1.657 nan 8.150 nan 0.000 0.405 1075 A N 1.371 124.283 122.820 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 0.362 19.391 19.000 0.047 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.098 122.678 120.570 0.017 0.000 2.406 1076 I HA 0.340 4.510 4.170 0.000 0.000 0.290 1076 I C -0.260 175.761 176.117 -0.161 0.000 0.999 1076 I CA -0.227 61.008 61.300 -0.107 0.000 1.124 1076 I CB 2.410 40.325 38.000 -0.142 0.000 1.289 1076 I HN 0.559 nan 8.210 nan 0.000 0.441 1077 T N 4.458 118.900 114.554 -0.186 0.000 2.771 1077 T HA 0.215 4.565 4.350 0.000 0.000 0.281 1077 T C -0.055 174.489 174.700 -0.260 0.000 0.982 1077 T CA -0.537 61.456 62.100 -0.179 0.000 0.978 1077 T CB 0.803 69.604 68.868 -0.111 0.000 0.930 1077 T HN 0.384 nan 8.240 nan 0.000 0.447 1078 N N 2.953 121.514 118.700 -0.233 0.000 2.521 1078 N HA 0.073 4.813 4.740 0.000 0.000 0.236 1078 N C 0.650 176.080 175.510 -0.132 0.000 1.067 1078 N CA -0.246 52.667 53.050 -0.228 0.000 0.939 1078 N CB 0.190 38.554 38.487 -0.205 0.000 1.201 1078 N HN 0.666 nan 8.380 nan 0.000 0.511 1079 N N 2.279 120.903 118.700 -0.125 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.194 175.284 175.510 -0.054 0.000 1.141 1079 N CA -0.206 52.794 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 -0.306 118.696 119.070 -0.112 0.000 2.852 1080 H HA 0.168 4.724 4.556 0.000 0.000 0.362 1080 H C 1.240 176.529 175.328 -0.065 0.000 1.122 1080 H CA 0.742 56.740 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 2.400 125.013 122.820 -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 0.048 0.000 1.181 1081 A CA 2.075 54.031 52.037 -0.136 0.000 0.620 1081 A CB -0.464 18.414 19.000 -0.204 0.000 0.819 1081 A HN 0.870 nan 8.150 nan 0.000 0.442 1082 T N -4.826 109.892 114.554 0.273 0.000 3.046 1082 T HA 0.206 4.556 4.350 0.000 0.000 0.270 1082 T C -0.074 174.704 174.700 0.129 0.000 0.920 1082 T CA -0.295 61.911 62.100 0.178 0.000 0.874 1082 T CB 0.205 69.139 68.868 0.111 0.000 1.214 1082 T HN 0.176 nan 8.240 nan 0.000 0.536 1083 E N 1.597 121.861 120.200 0.106 0.000 2.204 1083 E HA 0.755 5.105 4.350 0.000 0.000 0.276 1083 E C -0.251 176.237 176.600 -0.186 0.000 0.974 1083 E CA -0.451 55.819 56.400 -0.218 0.000 0.815 1083 E CB 2.018 31.365 29.700 -0.587 0.000 1.119 1083 E HN 0.516 nan 8.360 nan 0.000 0.393 1084 A N 1.905 124.651 122.820 -0.123 0.000 2.247 1084 A HA 0.728 5.048 4.320 0.000 0.000 0.313 1084 A C -0.115 177.414 177.584 -0.091 0.000 1.109 1084 A CA -0.542 51.438 52.037 -0.095 0.000 0.890 1084 A CB 0.785 19.754 19.000 -0.052 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.087 115.792 119.914 -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 -0.329 61.985 62.300 0.025 0.000 1.007 1085 V CB 1.126 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 2.446 125.405 122.820 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 1.880 123.121 121.223 0.029 0.000 2.543 1087 L HA 0.123 4.463 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 -1.883 112.544 114.554 -0.213 0.000 2.770 1088 T HA 0.084 4.434 4.350 0.000 0.000 0.281 1088 T C 0.758 175.370 174.700 -0.147 0.000 0.981 1088 T CA -0.788 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 -0.219 120.067 120.400 -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 0.236 0.000 0.980 1089 D CA 1.069 55.049 54.000 -0.034 0.000 0.842 1089 D CB -0.228 40.505 40.800 -0.113 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.183 120.059 119.950 -0.124 0.000 2.473 1090 F HA 0.245 4.772 4.527 0.000 0.000 0.294 1090 F C 2.186 177.932 175.800 -0.091 0.000 1.103 1090 F CA 0.413 58.376 58.000 -0.062 0.000 1.442 1090 F CB -0.945 37.987 39.000 -0.114 0.000 1.097 1090 F HN -0.027 nan 8.300 nan 0.000 0.547 1091 G N 2.676 111.493 108.800 0.028 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 -1.119 173.753 174.900 -0.047 0.000 1.286 1091 G CA 0.557 45.593 45.100 -0.106 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.039 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 2.274 65.383 63.100 0.015 0.000 0.770 1092 P CB -0.379 31.323 31.700 0.004 0.000 0.786 1093 A N 0.059 122.851 122.820 -0.047 0.000 2.172 1093 A HA -0.095 4.225 4.320 0.000 0.000 0.216 1093 A C 1.839 179.557 177.584 0.224 0.000 1.154 1093 A CA 0.999 53.003 52.037 -0.055 0.000 0.701 1093 A CB -0.972 17.887 19.000 -0.236 0.000 0.789 1093 A HN 0.125 nan 8.150 nan 0.000 0.465 1094 N N -0.382 118.448 118.700 0.217 0.000 2.268 1094 N HA 0.184 4.924 4.740 0.000 0.000 0.204 1094 N C 1.052 176.705 175.510 0.238 0.000 1.124 1094 N CA 0.076 53.277 53.050 0.251 0.000 0.838 1094 N CB 0.107 38.722 38.487 0.213 0.000 0.994 1094 N HN 0.467 nan 8.380 nan 0.000 0.489 1095 L N -0.255 121.143 121.223 0.291 0.000 2.201 1095 L HA -0.003 4.337 4.340 0.000 0.000 0.212 1095 L C 0.303 177.351 176.870 0.297 0.000 1.105 1095 L CA 0.785 55.825 54.840 0.333 0.000 0.775 1095 L CB 0.227 42.506 42.059 0.365 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.098 119.915 119.914 0.165 0.000 2.384 1096 V HA 0.130 4.250 4.120 0.000 0.000 0.287 1096 V C 0.532 176.532 176.094 -0.157 0.000 1.020 1096 V CA -0.549 61.616 62.300 -0.225 0.000 0.850 1096 V CB 1.709 33.082 31.823 -0.749 0.000 0.987 1096 V HN 0.162 nan 8.190 nan 0.000 0.436 1097 Q N 3.505 123.224 119.800 -0.136 0.000 2.123 1097 Q HA 0.195 4.535 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 1.019 56.785 55.803 -0.062 0.000 0.841 1097 Q CB 0.463 29.198 28.738 -0.005 0.000 0.915 1097 Q HN 0.627 nan 8.270 nan 0.000 0.455 1098 R N -1.053 119.305 120.500 -0.237 0.000 2.739 1098 R HA 0.632 4.972 4.340 0.000 0.000 0.271 1098 R C -1.377 174.734 176.300 -0.314 0.000 1.010 1098 R CA -0.519 55.431 56.100 -0.249 0.000 0.897 1098 R CB 2.252 32.453 30.300 -0.165 0.000 1.236 1098 R HN -0.187 nan 8.270 nan 0.000 0.466 1099 V N 2.569 122.315 119.914 -0.280 0.000 2.841 1099 V HA 0.621 4.741 4.120 0.000 0.000 0.310 1099 V C -0.766 175.215 176.094 -0.189 0.000 1.090 1099 V CA -0.679 61.457 62.300 -0.274 0.000 0.930 1099 V CB 2.327 33.964 31.823 -0.310 0.000 1.014 1099 V HN 0.566 nan 8.190 nan 0.000 0.425 1100 I N 3.682 124.161 120.570 -0.153 0.000 2.607 1100 I HA 0.453 4.623 4.170 0.000 0.000 0.290 1100 I C -1.740 174.326 176.117 -0.086 0.000 1.129 1100 I CA -0.705 60.516 61.300 -0.133 0.000 1.042 1100 I CB 2.375 40.308 38.000 -0.113 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.243 126.398 120.300 -0.242 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 1.288 39.651 38.460 -0.163 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 -0.850 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 2.692 122.944 120.400 -0.246 0.000 2.451 1103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 1103 D C -2.207 174.094 176.300 0.001 0.000 1.201 1103 D CA -2.287 51.667 54.000 -0.077 0.000 1.028 1103 D CB 0.387 41.329 40.800 0.237 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 -0.038 177.287 177.300 0.043 0.000 1.145 1104 P CA 1.016 64.138 63.100 0.037 0.000 0.795 1104 P CB 0.103 31.835 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 0.464 176.809 176.300 0.075 0.000 1.123 1105 D CA 0.051 54.093 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 0.639 119.385 118.700 0.076 0.000 2.800 1106 N HA -0.260 4.480 4.740 0.000 0.000 0.250 1106 N C -0.163 175.461 175.510 0.191 0.000 1.078 1106 N CA 0.187 53.301 53.050 0.106 0.000 0.804 1106 N CB -0.425 38.092 38.487 0.049 0.000 1.135 1106 N HN 0.157 nan 8.380 nan 0.000 0.565 1107 Q N 1.616 121.519 119.800 0.173 0.000 2.256 1107 Q HA 0.354 4.694 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 -0.244 55.646 55.803 0.144 0.000 0.932 1107 Q CB 0.877 29.677 28.738 0.104 0.000 1.207 1107 Q HN 0.182 nan 8.270 nan 0.000 0.426 1108 R N 2.948 123.450 120.500 0.003 0.000 2.441 1108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 1108 R C 0.261 176.568 176.300 0.013 0.000 1.070 1108 R CA -0.140 55.862 56.100 -0.162 0.000 1.047 1108 R CB 0.688 30.774 30.300 -0.356 0.000 1.016 1108 R HN 0.820 nan 8.270 nan 0.000 0.477 1109 H N 0.198 119.230 119.070 -0.063 0.000 5.067 1109 H HA 0.147 4.703 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 -0.368 55.658 56.048 -0.036 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 0.008 0.000 2.916 1110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 1110 T C 0.112 174.747 174.700 -0.108 0.000 1.025 1110 T CA 0.465 62.491 62.100 -0.123 0.000 1.142 1110 T CB 0.319 69.077 68.868 -0.184 0.000 0.947 1110 T HN 0.395 nan 8.240 nan 0.000 0.544 1111 E N 2.202 122.342 120.200 -0.100 0.000 2.642 1111 E HA 0.430 4.780 4.350 0.000 0.000 0.284 1111 E C -0.777 175.780 176.600 -0.071 0.000 1.039 1111 E CA -0.474 55.869 56.400 -0.096 0.000 0.777 1111 E CB 0.907 30.560 29.700 -0.080 0.000 1.473 1111 E HN 0.589 nan 8.360 nan 0.000 0.388 1112 T N 0.972 115.458 114.554 -0.114 0.000 2.671 1112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 1112 T C -0.912 173.654 174.700 -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 -0.043 115.452 115.700 -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 0.053 57.975 58.200 -0.463 0.000 1.010 1113 S CB 0.861 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 1.093 109.693 108.800 -0.333 0.000 2.418 1114 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 1114 G HA3 -0.173 3.787 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 0.758 45.713 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 -0.023 4.637 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 0.836 57.952 57.345 -0.381 0.000 1.271 1115 W CB -1.034 28.165 29.460 -0.436 0.000 1.126 1115 W HN 0.417 nan 8.180 nan 0.000 0.535 1116 H N 1.266 119.974 119.070 -0.602 0.000 2.357 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 1.082 1116 H CA 1.790 57.616 56.048 -0.370 0.000 1.342 1116 H CB -0.123 29.256 29.762 -0.639 0.000 1.389 1116 H HN 0.119 nan 8.280 nan 0.000 0.511 1117 L N 1.056 122.057 121.223 -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 57.113 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 -1.036 117.959 119.070 -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 2.230 58.199 56.048 -0.131 0.000 1.327 1118 H CB -0.587 29.069 29.762 -0.176 0.000 1.383 1118 H HN 0.473 nan 8.280 nan 0.000 0.508 1119 F N -0.733 119.102 119.950 -0.192 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 58.498 58.000 -0.102 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 0.251 120.151 119.914 -0.023 0.000 2.427 1120 V HA -0.285 3.835 4.120 0.000 0.000 0.248 1120 V C 1.667 177.700 176.094 -0.100 0.000 1.051 1120 V CA 1.950 64.220 62.300 -0.051 0.000 1.048 1120 V CB -0.771 30.951 31.823 -0.168 0.000 0.666 1120 V HN 0.376 nan 8.190 nan 0.000 0.456 1121 N N -0.299 118.254 118.700 -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 54.614 53.050 -0.442 0.000 0.853 1121 N CB -0.200 37.625 38.487 -1.104 0.000 1.008 1121 N HN 0.418 nan 8.380 nan 0.000 0.424 1122 T N 0.570 115.022 114.554 -0.170 0.000 2.737 1122 T HA -0.089 4.261 4.350 0.000 0.000 0.265 1122 T C 2.057 176.717 174.700 -0.066 0.000 1.038 1122 T CA 1.188 63.257 62.100 -0.052 0.000 1.144 1122 T CB -0.332 68.479 68.868 -0.096 0.000 0.866 1122 T HN 0.331 nan 8.240 nan 0.000 0.434 1123 A N 1.895 124.683 122.820 -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 1.392 53.361 52.037 -0.113 0.000 0.627 1123 A CB -0.330 18.564 19.000 -0.177 0.000 0.818 1123 A HN 0.289 nan 8.150 nan 0.000 0.445 1124 K N -0.630 119.761 120.400 -0.015 0.000 2.155 1124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 1124 K C 2.145 178.723 176.600 -0.035 0.000 1.052 1124 K CA 1.441 57.709 56.287 -0.031 0.000 0.948 1124 K CB -0.236 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 -0.062 119.736 119.800 -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 1.308 57.114 55.803 0.005 0.000 0.857 1125 Q CB 0.241 29.033 28.738 0.090 0.000 0.929 1125 Q HN 0.441 nan 8.270 nan 0.000 0.453 1126 G N -0.620 108.156 108.800 -0.040 0.000 2.141 1126 G HA2 -0.163 3.797 3.960 0.000 0.000 0.231 1126 G HA3 -0.163 3.797 3.960 0.000 0.000 0.231 1126 G C -0.060 174.793 174.900 -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 -1.278 121.492 122.820 -0.083 0.000 2.586 1127 A HA 0.795 5.115 4.320 0.000 0.000 0.291 1127 A C -3.143 174.400 177.584 -0.069 0.000 1.062 1127 A CA -0.762 51.218 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 0.118 nan 4.420 nan 0.000 0.258 1128 P C -0.351 177.009 177.300 0.100 0.000 1.172 1128 P CA 0.550 63.659 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 5.763 125.715 119.950 0.003 0.000 2.604 1129 F HA -0.066 4.461 4.527 0.000 0.000 0.393 1129 F C 1.176 176.994 175.800 0.031 0.000 1.043 1129 F CA 0.378 58.389 58.000 0.019 0.000 1.227 1129 F CB -0.401 38.635 39.000 0.061 0.000 1.016 1129 F HN 0.275 nan 8.300 nan 0.000 0.556 1130 L N 3.583 124.436 121.223 -0.617 0.000 3.839 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 1130 L C 0.626 177.341 176.870 -0.257 0.000 1.195 1130 L CA 0.557 55.052 54.840 -0.575 0.000 0.946 1130 L CB -2.341 39.223 42.059 -0.825 0.000 1.891 1130 L HN 0.734 nan 8.230 nan 0.000 0.963 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 58.130 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 0.279 nan 8.310 nan 0.000 0.556 1132 S N 1.556 117.223 115.700 -0.056 0.000 2.498 1132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 1132 S C -0.358 174.220 174.600 -0.038 0.000 1.071 1132 S CA -0.837 57.334 58.200 -0.048 0.000 1.113 1132 S CB -0.042 63.141 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 -0.229 55.043 55.300 -0.046 0.000 1.147 1133 M CB 0.640 33.202 32.600 -0.063 0.000 1.547 1133 M HN 0.424 nan 8.290 nan 0.000 0.455 1134 V N 4.639 124.538 119.914 -0.024 0.000 2.465 1134 V HA 0.503 4.623 4.120 0.000 0.000 0.279 1134 V C 0.423 176.506 176.094 -0.018 0.000 1.045 1134 V CA -0.242 62.050 62.300 -0.013 0.000 0.938 1134 V CB 1.074 32.893 31.823 -0.006 0.000 0.986 1134 V HN 1.022 nan 8.190 nan 0.000 0.467 1135 T N -0.230 114.317 114.554 -0.011 0.000 2.838 1135 T HA 0.346 4.696 4.350 0.000 0.000 0.292 1135 T C 0.258 174.961 174.700 0.004 0.000 1.113 1135 T CA -0.278 61.813 62.100 -0.015 0.000 1.008 1135 T CB 1.903 70.748 68.868 -0.040 0.000 1.259 1135 T HN 0.632 nan 8.240 nan 0.000 0.520 1136 D N -0.056 120.345 120.400 0.003 0.000 2.336 1136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 1136 D C 0.656 176.973 176.300 0.028 0.000 1.061 1136 D CA -0.177 53.830 54.000 0.012 0.000 0.875 1136 D CB -0.379 40.425 40.800 0.006 0.000 0.904 1136 D HN 0.390 nan 8.370 nan 0.000 0.525 1137 S N 1.789 117.515 115.700 0.044 0.000 2.544 1137 S HA 0.081 4.551 4.470 0.000 0.000 0.290 1137 S C -1.046 173.607 174.600 0.088 0.000 1.276 1137 S CA -0.930 57.321 58.200 0.085 0.000 1.075 1137 S CB 0.998 64.296 63.200 0.165 0.000 0.849 1137 S HN 0.100 nan 8.310 nan 0.000 0.494 1138 P HA 0.065 nan 4.420 nan 0.000 0.225 1138 P C 0.115 177.431 177.300 0.026 0.000 1.156 1138 P CA 0.326 63.448 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 1.172 121.770 120.570 0.046 0.000 2.648 1139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 1139 I C 1.322 177.379 176.117 -0.100 0.000 1.153 1139 I CA 0.276 61.542 61.300 -0.056 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 6.644 126.938 120.400 -0.177 0.000 3.233 1140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 1140 K C -0.706 175.803 176.600 -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 31.880 32.500 -0.088 0.000 1.431 1140 K HN 0.389 nan 8.250 nan 0.000 0.326 1141 Y N 0.425 120.713 120.300 -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 0.572 58.657 58.100 -0.024 0.000 1.490 1141 Y CB 0.917 39.361 38.460 -0.028 0.000 1.359 1141 Y HN 0.447 nan 8.280 nan 0.000 0.599 1142 G N 0.165 109.058 108.800 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 -0.862 44.282 45.100 0.073 0.000 0.949 1142 G HN 0.525 nan 8.290 nan 0.000 0.476 1143 D N 0.522 120.935 120.400 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 54.102 54.000 0.012 0.000 1.006 1143 D CB 0.700 41.507 40.800 0.011 0.000 1.073 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 V N 2.849 122.768 119.914 0.009 0.000 2.575 1144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 1144 V C 1.878 177.975 176.094 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 -0.413 119.189 119.600 0.003 0.000 2.371 1145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 1145 M C 0.367 176.682 176.300 0.024 0.000 1.103 1145 M CA 0.091 55.397 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 1.155 119.868 118.700 0.022 0.000 2.699 1146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 1146 N C 1.021 176.569 175.510 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 0.155 nan 8.380 nan 0.000 0.541 1147 V N -0.195 119.738 119.914 0.033 0.000 2.287 1147 V HA -0.108 4.012 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 1.556 63.886 62.300 0.050 0.000 1.027 1147 V CB 0.022 31.763 31.823 -0.137 0.000 0.646 1147 V HN 0.410 nan 8.190 nan 0.000 0.447 1148 I N 0.422 121.043 120.570 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 39.801 38.000 0.066 0.000 1.262 1148 I HN 0.222 nan 8.210 nan 0.000 0.443 1149 D N 5.444 125.886 120.400 0.069 0.000 2.717 1149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 1149 D C -1.612 174.731 176.300 0.073 0.000 1.240 1149 D CA -0.303 53.735 54.000 0.062 0.000 0.801 1149 D CB 2.314 43.154 40.800 0.066 0.000 1.556 1149 D HN 0.681 nan 8.370 nan 0.000 0.462 1150 A N 2.629 125.494 122.820 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 1.156 20.207 19.000 0.084 0.000 1.282 1150 A HN 0.433 nan 8.150 nan 0.000 0.399 1151 P HA 0.337 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 0.534 63.733 63.100 0.165 0.000 0.768 1151 P CB 1.115 32.898 31.700 0.139 0.000 0.842 1152 A N 3.031 125.933 122.820 0.138 0.000 1.978 1152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 1152 A C 1.007 178.708 177.584 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 -3.863 110.798 114.554 0.178 0.000 2.883 1153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 1153 T C -0.874 173.849 174.700 0.038 0.000 1.158 1153 T CA -0.622 61.566 62.100 0.147 0.000 1.007 1153 T CB 1.492 70.401 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 0.571 4.741 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 -1.105 60.085 61.300 -0.182 0.000 1.100 1154 I CB 1.444 39.199 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 0.645 178.190 177.584 -0.066 0.000 1.089 1155 A CA -0.270 51.731 52.037 -0.060 0.000 0.797 1155 A CB 0.439 19.418 19.000 -0.035 0.000 1.047 1155 A HN 0.838 nan 8.150 nan 0.000 0.494 1156 A N -0.020 122.777 122.820 -0.039 0.000 2.566 1156 A HA 0.451 4.771 4.320 0.000 0.000 0.245 1156 A C 1.624 179.193 177.584 -0.025 0.000 1.056 1156 A CA 0.965 52.995 52.037 -0.011 0.000 0.757 1156 A CB -1.118 17.908 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 0.139 4.099 3.960 0.000 0.000 0.254 1157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 1157 G C 0.564 175.431 174.900 -0.055 0.000 0.982 1157 G CA 0.570 45.643 45.100 -0.045 0.000 0.632 1157 G HN 2.181 nan 8.290 nan 0.000 0.529 1158 A N -0.479 122.300 122.820 -0.068 0.000 2.264 1158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 1158 A C 0.258 177.786 177.584 -0.092 0.000 1.100 1158 A CA 0.684 52.679 52.037 -0.070 0.000 0.839 1158 A CB 1.053 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 0.534 115.045 114.554 -0.073 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.153 174.818 174.700 -0.058 0.000 0.990 1159 T CA 0.056 62.111 62.100 -0.074 0.000 0.960 1159 T CB 1.500 70.340 68.868 -0.047 0.000 0.948 1159 T HN 1.045 nan 8.240 nan 0.000 0.438 1160 G N 1.904 110.662 108.800 -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 -0.884 174.032 174.900 0.027 0.000 1.143 1160 G CA -0.577 44.509 45.100 -0.024 0.000 0.914 1160 G HN 0.497 nan 8.290 nan 0.000 0.480 1161 E N 0.634 120.866 120.200 0.053 0.000 2.158 1161 E HA 0.479 4.829 4.350 0.000 0.000 0.271 1161 E C -0.912 175.749 176.600 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 1.403 122.698 121.223 0.121 0.000 2.341 1162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 1162 L C 0.051 176.985 176.870 0.108 0.000 1.009 1162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 1162 L CB 2.104 44.274 42.059 0.185 0.000 1.323 1162 L HN 0.329 nan 8.230 nan 0.000 0.425 1163 T N 2.233 116.845 114.554 0.097 0.000 2.921 1163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 1163 T C -1.091 173.654 174.700 0.076 0.000 1.013 1163 T CA -0.364 61.785 62.100 0.081 0.000 0.990 1163 T CB 1.639 70.574 68.868 0.113 0.000 1.023 1163 T HN 0.439 nan 8.240 nan 0.000 0.447 1164 M N 3.174 122.788 119.600 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 -0.760 54.529 55.300 -0.017 0.000 0.886 1164 M CB 1.696 34.262 32.600 -0.057 0.000 1.710 1164 M HN 0.619 nan 8.290 nan 0.000 0.457 1165 Y N 2.717 122.986 120.300 -0.053 0.000 2.462 1165 Y HA 0.706 5.256 4.550 -0.000 0.000 0.346 1165 Y C -1.528 174.416 175.900 0.074 0.000 0.976 1165 Y CA -0.326 57.855 58.100 0.136 0.000 1.044 1165 Y CB 2.063 40.658 38.460 0.225 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.205 121.799 120.300 0.491 0.000 2.477 1166 Y HA 0.284 4.834 4.550 -0.000 0.000 0.347 1166 Y C -1.021 175.096 175.900 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 0.643 nan 8.280 nan 0.000 0.455 1167 W N 4.995 126.378 121.300 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 -1.021 56.396 57.345 0.121 0.000 1.241 1167 W CB 1.451 30.941 29.460 0.050 0.000 1.279 1167 W HN 0.311 nan 8.180 nan 0.000 0.436 1168 V N 9.391 129.019 119.914 -0.477 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 0.943 32.633 31.823 -0.221 0.000 1.019 1168 V HN 0.357 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 -0.171 0.000 1.261 1169 P CA -0.314 62.621 63.100 -0.275 0.000 0.821 1169 P CB 2.535 34.396 31.700 0.268 0.000 1.013 1170 L N 1.302 122.466 121.223 -0.099 0.000 2.675 1170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 1170 L C 1.363 178.361 176.870 0.215 0.000 1.135 1170 L CA 0.100 54.900 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 0.325 nan 8.230 nan 0.000 0.499 1171 A N -0.906 122.010 122.820 0.159 0.000 2.445 1171 A HA -0.015 4.305 4.320 0.000 0.000 0.242 1171 A C 0.525 178.262 177.584 0.255 0.000 1.075 1171 A CA 0.028 52.180 52.037 0.192 0.000 0.777 1171 A CB -0.016 19.059 19.000 0.126 0.000 1.013 1171 A HN 0.361 nan 8.150 nan 0.000 0.493 1172 Y N 2.251 122.540 120.300 -0.019 0.000 2.181 1172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 1172 Y C 1.278 177.132 175.900 -0.077 0.000 1.146 1172 Y CA 1.791 59.709 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 0.877 nan 8.280 nan 0.000 0.515 1173 S N -2.422 113.256 115.700 -0.038 0.000 2.790 1173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 1173 S C 0.350 174.934 174.600 -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 1.694 178.267 176.600 -0.044 0.000 0.996 1174 E CA 1.819 58.176 56.400 -0.072 0.000 0.840 1174 E CB -0.324 29.305 29.700 -0.119 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.435 112.105 114.554 -0.024 0.000 2.985 1175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 1175 T C 0.445 175.153 174.700 0.014 0.000 1.021 1175 T CA -0.305 61.788 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 1.196 121.627 120.400 0.051 0.000 2.453 1176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 1176 D C 0.626 176.963 176.300 0.062 0.000 1.088 1176 D CA -0.672 53.369 54.000 0.068 0.000 0.854 1176 D CB 1.021 41.925 40.800 0.173 0.000 1.076 1176 D HN 0.215 nan 8.370 nan 0.000 0.533 1177 L N 2.498 123.730 121.223 0.015 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 55.009 54.840 0.016 0.000 0.892 1177 L CB -0.343 41.716 42.059 0.001 0.000 1.039 1177 L HN 0.255 nan 8.230 nan 0.000 0.442 1178 T N 0.859 115.378 114.554 -0.058 0.000 2.871 1178 T HA 0.226 4.576 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 1.055 63.050 62.100 -0.174 0.000 1.162 1178 T CB 0.845 69.396 68.868 -0.527 0.000 0.947 1178 T HN 0.632 nan 8.240 nan 0.000 0.536 1179 G N 2.049 110.869 108.800 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 45.191 45.100 0.202 0.000 0.633 1179 G HN 1.159 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 0.749 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 1.863 121.796 119.914 0.030 0.000 2.448 1181 V HA 0.290 4.410 4.120 0.000 0.000 0.295 1181 V C -0.481 175.644 176.094 0.052 0.000 1.025 1181 V CA -0.509 61.829 62.300 0.063 0.000 0.859 1181 V CB 1.341 33.200 31.823 0.060 0.000 0.988 1181 V HN 0.767 nan 8.190 nan 0.000 0.431 1182 L N 5.172 126.433 121.223 0.064 0.000 2.325 1182 L HA 0.593 4.933 4.340 0.000 0.000 0.284 1182 L C 0.862 177.767 176.870 0.058 0.000 1.089 1182 L CA 0.696 55.565 54.840 0.048 0.000 0.836 1182 L CB 0.999 43.091 42.059 0.055 0.000 1.184 1182 L HN 0.748 nan 8.230 nan 0.000 0.444 1183 A N 2.621 125.465 122.820 0.040 0.000 2.469 1183 A HA 0.247 4.567 4.320 0.000 0.000 0.245 1183 A C 1.542 179.143 177.584 0.028 0.000 1.221 1183 A CA 0.481 52.541 52.037 0.039 0.000 0.946 1183 A CB -0.807 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 0.365 119.087 118.700 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 1.074 54.158 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 0.783 nan 8.380 nan 0.000 0.444 1185 V N 0.318 120.280 119.914 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 -0.509 61.837 62.300 0.076 0.000 1.027 1185 V CB -1.136 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 0.188 nan 4.420 nan 0.000 0.274 1186 P C 0.735 178.051 177.300 0.026 0.000 1.209 1186 P CA 1.460 64.579 63.100 0.032 0.000 0.790 1186 P CB 0.078 31.796 31.700 0.029 0.000 0.834 1187 Q N 0.951 120.762 119.800 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 1.297 57.107 55.803 0.011 0.000 0.894 1187 Q CB -0.880 27.863 28.738 0.007 0.000 0.965 1187 Q HN 0.514 nan 8.270 nan 0.000 0.475 1188 S N 1.306 117.009 115.700 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 0.006 63.207 63.200 0.002 0.000 0.783 1188 S HN 0.722 nan 8.310 nan 0.000 0.503 1189 K N 4.344 124.732 120.400 -0.021 0.000 2.202 1189 K HA 0.281 4.601 4.320 0.000 0.000 0.264 1189 K C -0.067 176.505 176.600 -0.046 0.000 1.010 1189 K CA -0.605 55.666 56.287 -0.027 0.000 0.940 1189 K CB 0.542 33.019 32.500 -0.038 0.000 0.983 1189 K HN 0.634 nan 8.250 nan 0.000 0.475 1190 Q N 1.083 120.862 119.800 -0.035 0.000 2.212 1190 Q HA 0.326 4.666 4.340 0.000 0.000 0.238 1190 Q C -0.774 175.144 176.000 -0.137 0.000 0.955 1190 Q CA -0.727 55.023 55.803 -0.088 0.000 0.906 1190 Q CB 1.531 30.298 28.738 0.049 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.217 121.570 120.500 -0.246 0.000 2.483 1191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 1191 R C -1.628 174.556 176.300 -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 0.330 nan 8.270 nan 0.000 0.451 1192 L N 3.785 124.904 121.223 -0.174 0.000 2.301 1192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 1192 L C -0.867 175.904 176.870 -0.165 0.000 1.022 1192 L CA -0.255 54.469 54.840 -0.194 0.000 0.854 1192 L CB 0.808 42.604 42.059 -0.438 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.148 126.479 120.400 -0.115 0.000 2.201 1193 K HA 0.598 4.918 4.320 0.000 0.000 0.278 1193 K C -1.220 175.257 176.600 -0.204 0.000 1.027 1193 K CA -0.409 55.808 56.287 -0.117 0.000 0.909 1193 K CB 1.345 33.819 32.500 -0.044 0.000 1.062 1193 K HN 0.541 nan 8.250 nan 0.000 0.465 1194 L N 2.474 123.550 121.223 -0.244 0.000 2.381 1194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 1194 L C -0.432 176.202 176.870 -0.394 0.000 0.988 1194 L CA -0.622 53.955 54.840 -0.439 0.000 0.824 1194 L CB 1.935 43.593 42.059 -0.667 0.000 1.263 1194 L HN 0.649 nan 8.230 nan 0.000 0.410 1195 E N 3.207 123.155 120.200 -0.420 0.000 2.129 1195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 1195 E C -1.299 175.123 176.600 -0.298 0.000 0.900 1195 E CA -0.609 55.650 56.400 -0.236 0.000 0.755 1195 E CB 1.031 30.647 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 1.075 176.902 175.800 0.046 0.000 1.129 1196 F CA -0.546 57.491 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 1.652 124.618 122.820 0.244 0.000 2.448 1197 A HA 0.398 4.718 4.320 0.000 0.000 0.239 1197 A C -0.263 177.379 177.584 0.097 0.000 1.080 1197 A CA -0.168 51.971 52.037 0.169 0.000 0.779 1197 A CB -0.192 18.957 19.000 0.249 0.000 1.026 1197 A HN 0.892 nan 8.150 nan 0.000 0.499 1198 N N -0.716 118.096 118.700 0.187 0.000 3.102 1198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 1198 N C -0.119 175.639 175.510 0.414 0.000 1.482 1198 N CA -0.821 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 38.203 38.487 0.417 0.000 0.961 1199 N HN 0.579 nan 8.380 nan 0.000 0.446 1200 N N -1.029 117.808 118.700 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 0.117 0.000 1.062 1200 N CA 0.799 53.949 53.050 0.166 0.000 0.895 1200 N CB 0.391 38.956 38.487 0.130 0.000 1.018 1200 N HN 0.244 nan 8.380 nan 0.000 0.456 1201 T N -2.850 111.756 114.554 0.088 0.000 3.000 1201 T HA 0.310 4.660 4.350 0.000 0.000 0.248 1201 T C 1.849 176.514 174.700 -0.058 0.000 1.034 1201 T CA 0.159 62.286 62.100 0.045 0.000 1.060 1201 T CB 0.098 69.012 68.868 0.077 0.000 0.983 1201 T HN 0.038 nan 8.240 nan 0.000 0.482 1202 A N 0.805 123.479 122.820 -0.243 0.000 2.066 1202 A HA 0.409 4.729 4.320 0.000 0.000 0.218 1202 A C 0.287 177.365 177.584 -0.843 0.000 1.157 1202 A CA 0.173 51.831 52.037 -0.633 0.000 0.670 1202 A CB -0.627 17.772 19.000 -1.002 0.000 0.804 1202 A HN 0.600 nan 8.150 nan 0.000 0.453 1203 F N -0.843 119.166 119.950 0.098 0.000 2.477 1203 F HA 0.648 5.175 4.527 0.000 0.000 0.335 1203 F C 0.222 176.056 175.800 0.057 0.000 1.130 1203 F CA -0.809 57.232 58.000 0.069 0.000 0.948 1203 F CB 1.745 40.764 39.000 0.032 0.000 1.154 1203 F HN 0.050 nan 8.300 nan 0.000 0.439 1204 A N 2.214 125.145 122.820 0.186 0.000 2.304 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 1204 A C -0.212 177.430 177.584 0.096 0.000 1.195 1204 A CA -0.633 51.470 52.037 0.109 0.000 0.826 1204 A CB 0.677 19.709 19.000 0.054 0.000 1.184 1204 A HN 0.942 nan 8.150 nan 0.000 0.496 1205 A N 1.804 124.670 122.820 0.076 0.000 2.366 1205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 1205 A C 0.432 178.035 177.584 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 1.214 nan 8.150 nan 0.000 0.491 1206 V N 1.378 121.301 119.914 0.016 0.000 2.694 1206 V HA 0.354 4.474 4.120 0.000 0.000 0.306 1206 V C 1.704 177.804 176.094 0.011 0.000 1.054 1206 V CA 1.854 64.159 62.300 0.009 0.000 1.161 1206 V CB 0.015 31.836 31.823 -0.002 0.000 0.916 1206 V HN 1.982 nan 8.190 nan 0.000 0.490 1207 G N 3.136 111.941 108.800 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 0.382 175.288 174.900 0.010 0.000 0.988 1207 G CA 0.288 45.391 45.100 0.006 0.000 0.625 1207 G HN 1.524 nan 8.290 nan 0.000 0.527 1208 A N -0.236 122.596 122.820 0.019 0.000 2.264 1208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 1208 A C 0.470 178.072 177.584 0.029 0.000 1.100 1208 A CA 0.017 52.070 52.037 0.026 0.000 0.839 1208 A CB 0.455 19.477 19.000 0.037 0.000 1.121 1208 A HN 0.490 nan 8.150 nan 0.000 0.496 1209 N N 1.170 119.892 118.700 0.036 0.000 2.452 1209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 1209 N C -1.776 173.758 175.510 0.040 0.000 1.209 1209 N CA -1.282 51.805 53.050 0.061 0.000 0.929 1209 N CB 1.008 39.534 38.487 0.065 0.000 1.063 1209 N HN 0.351 nan 8.380 nan 0.000 0.472 1210 P HA 0.001 nan 4.420 nan 0.000 0.261 1210 P C 1.504 178.635 177.300 -0.282 0.000 1.268 1210 P CA -0.136 62.897 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 1.558 122.632 121.223 -0.248 0.000 2.010 1211 L HA -0.187 4.153 4.340 0.000 0.000 0.219 1211 L C 1.736 178.403 176.870 -0.338 0.000 1.077 1211 L CA 2.207 56.772 54.840 -0.459 0.000 0.773 1211 L CB -0.886 41.146 42.059 -0.045 0.000 0.892 1211 L HN -0.119 nan 8.230 nan 0.000 0.436 1212 E N -0.007 120.155 120.200 -0.063 0.000 2.474 1212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 1212 E C 0.686 177.307 176.600 0.036 0.000 1.039 1212 E CA 0.573 57.020 56.400 0.077 0.000 0.881 1212 E CB -0.065 29.719 29.700 0.140 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 1.107 178.645 177.584 -0.077 0.000 1.094 1213 A CA -0.444 51.557 52.037 -0.059 0.000 0.828 1213 A CB 0.530 19.501 19.000 -0.048 0.000 1.091 1213 A HN 0.047 nan 8.150 nan 0.000 0.493 1214 I N -1.575 118.941 120.570 -0.091 0.000 3.039 1214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 1214 I C -0.354 175.577 176.117 -0.309 0.000 1.150 1214 I CA 0.654 61.869 61.300 -0.142 0.000 1.448 1214 I CB -0.010 37.967 38.000 -0.039 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 -0.737 57.418 58.100 0.092 0.000 1.044 1215 Y CB 1.763 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 1.304 121.228 119.800 0.206 0.000 2.359 1216 Q HA 0.770 5.110 4.340 0.000 0.000 0.274 1216 Q C -0.978 175.078 176.000 0.094 0.000 1.074 1216 Q CA -0.640 55.236 55.803 0.120 0.000 0.810 1216 Q CB 2.689 31.454 28.738 0.044 0.000 1.342 1216 Q HN 0.969 nan 8.270 nan 0.000 0.427 1217 G N 0.345 109.177 108.800 0.053 0.000 2.336 1217 G HA2 0.352 4.312 3.960 0.000 0.000 0.300 1217 G HA3 0.352 4.312 3.960 0.000 0.000 0.300 1217 G C -0.205 174.668 174.900 -0.044 0.000 1.375 1217 G CA -0.128 44.974 45.100 0.004 0.000 0.885 1217 G HN 0.738 nan 8.290 nan 0.000 0.599 1218 A N -0.840 121.925 122.820 -0.093 0.000 2.024 1218 A HA 0.291 4.611 4.320 0.000 0.000 0.220 1218 A C 2.279 179.672 177.584 -0.319 0.000 1.164 1218 A CA 2.805 54.746 52.037 -0.160 0.000 0.643 1218 A CB -0.493 18.409 19.000 -0.163 0.000 0.806 1218 A HN 2.032 nan 8.150 nan 0.000 0.451 1219 G N -1.703 106.883 108.800 -0.356 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 1.265 176.072 174.900 -0.156 0.000 1.159 1219 G CA 0.864 45.688 45.100 -0.460 0.000 0.763 1219 G HN 0.626 nan 8.290 nan 0.000 0.549 1220 A N 1.452 124.219 122.820 -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 2.235 54.261 52.037 -0.017 0.000 0.631 1220 A CB -0.736 18.317 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 1.343 178.934 177.584 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 -1.238 119.161 120.400 -0.003 0.000 2.424 1222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 1222 D C -0.367 175.817 176.300 -0.194 0.000 1.150 1222 D CA -0.044 53.925 54.000 -0.052 0.000 0.831 1222 D CB -0.095 40.713 40.800 0.013 0.000 0.981 1222 D HN 0.290 nan 8.370 nan 0.000 0.500 1223 C N 1.540 120.601 119.300 -0.398 0.000 2.398 1223 C HA 0.571 5.031 4.460 0.000 0.000 0.364 1223 C C 0.528 175.008 174.990 -0.851 0.000 1.219 1223 C CA -0.508 58.032 59.018 -0.797 0.000 2.312 1223 C CB 0.877 27.760 27.740 -1.428 0.000 2.428 1223 C HN 0.399 nan 8.230 nan 0.000 0.564 1224 E N 0.607 120.400 120.200 -0.678 0.000 2.407 1224 E HA 0.458 4.808 4.350 0.000 0.000 0.279 1224 E C -1.733 174.820 176.600 -0.080 0.000 1.012 1224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 1224 E CB 0.627 30.303 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 0.198 0.000 2.427 1225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 1225 F C 1.780 177.602 175.800 0.036 0.000 1.100 1225 F CA 0.043 58.127 58.000 0.139 0.000 1.191 1225 F CB 1.441 40.514 39.000 0.121 0.000 1.128 1225 F HN 0.764 nan 8.300 nan 0.000 0.533 1226 E N 2.430 122.740 120.200 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 -1.014 119.221 120.200 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 0.545 30.165 29.700 -0.133 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.954 121.156 120.570 -0.613 0.000 2.647 1228 I HA 0.564 4.734 4.170 0.000 0.000 0.295 1228 I C -0.897 174.792 176.117 -0.712 0.000 1.078 1228 I CA -0.944 59.930 61.300 -0.709 0.000 1.048 1228 I CB 2.218 39.532 38.000 -1.144 0.000 1.239 1228 I HN 0.562 nan 8.210 nan 0.000 0.421 1229 S N 4.163 119.641 115.700 -0.369 0.000 2.549 1229 S HA 0.783 5.253 4.470 0.000 0.000 0.280 1229 S C -1.591 172.947 174.600 -0.103 0.000 1.109 1229 S CA -0.434 57.610 58.200 -0.260 0.000 0.905 1229 S CB 1.449 64.536 63.200 -0.188 0.000 1.081 1229 S HN 0.483 nan 8.310 nan 0.000 0.477 1230 Y N -0.187 120.030 120.300 -0.139 0.000 2.562 1230 Y HA 0.828 5.378 4.550 0.000 0.000 0.345 1230 Y C -0.870 175.004 175.900 -0.044 0.000 1.045 1230 Y CA -0.841 57.236 58.100 -0.038 0.000 1.028 1230 Y CB 1.409 39.916 38.460 0.078 0.000 1.297 1230 Y HN 0.436 nan 8.280 nan 0.000 0.463 1231 T N 2.877 117.545 114.554 0.189 0.000 2.928 1231 T HA 0.536 4.886 4.350 0.000 0.000 0.296 1231 T C -1.453 173.332 174.700 0.140 0.000 1.000 1231 T CA -0.654 61.469 62.100 0.038 0.000 0.989 1231 T CB 1.526 70.357 68.868 -0.061 0.000 1.005 1231 T HN 0.625 nan 8.240 nan 0.000 0.442 1232 V N 4.071 124.041 119.914 0.093 0.000 2.398 1232 V HA 0.487 4.607 4.120 0.000 0.000 0.286 1232 V C -1.144 174.983 176.094 0.056 0.000 1.026 1232 V CA -0.767 61.629 62.300 0.161 0.000 0.868 1232 V CB 0.899 32.818 31.823 0.161 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.981 123.463 120.300 0.303 0.000 2.352 1233 Y HA 0.500 5.050 4.550 -0.000 0.000 0.339 1233 Y C 0.299 176.396 175.900 0.329 0.000 0.992 1233 Y CA -0.329 57.946 58.100 0.292 0.000 1.100 1233 Y CB 1.725 40.354 38.460 0.282 0.000 1.192 1233 Y HN 0.566 nan 8.280 nan 0.000 0.458 1234 Q N 2.162 122.229 119.800 0.445 0.000 2.271 1234 Q HA 0.444 4.784 4.340 0.000 0.000 0.258 1234 Q C -0.888 175.280 176.000 0.279 0.000 0.936 1234 Q CA -0.574 55.408 55.803 0.298 0.000 0.909 1234 Q CB 1.327 30.268 28.738 0.339 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.386 120.154 115.700 0.114 0.000 2.433 1235 S HA 0.622 5.092 4.470 0.000 0.000 0.310 1235 S C -1.372 173.310 174.600 0.136 0.000 1.097 1235 S CA -0.378 57.914 58.200 0.153 0.000 1.103 1235 S CB 0.226 63.623 63.200 0.328 0.000 0.992 1235 S HN 0.572 nan 8.310 nan 0.000 0.469 1236 Y N 2.083 122.383 120.300 -0.000 0.000 2.689 1236 Y HA 0.725 5.275 4.550 -0.000 0.000 0.333 1236 Y C -1.811 174.086 175.900 -0.004 0.000 1.190 1236 Y CA -1.584 56.503 58.100 -0.022 0.000 1.063 1236 Y CB 0.882 39.328 38.460 -0.023 0.000 1.294 1236 Y HN 0.414 nan 8.280 nan 0.000 0.466 1237 L N 2.409 123.712 121.223 0.132 0.000 2.313 1237 L HA 0.478 4.818 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 1.811 122.284 120.400 0.122 0.000 2.449 1238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 1238 D C -0.340 176.022 176.300 0.103 0.000 1.050 1238 D CA -0.018 54.090 54.000 0.179 0.000 1.024 1238 D CB 1.431 42.373 40.800 0.237 0.000 1.218 1238 D HN 0.363 nan 8.370 nan 0.000 0.566 1239 Q N 0.161 120.014 119.800 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 56.208 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 2.013 123.205 121.223 -0.052 0.000 2.490 1240 L HA 0.118 4.458 4.340 0.000 0.000 0.274 1240 L C -1.052 175.792 176.870 -0.043 0.000 1.201 1240 L CA -1.089 53.659 54.840 -0.153 0.000 0.869 1240 L CB -0.207 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 -0.822 176.572 177.300 0.158 0.000 1.216 1241 P CA -0.178 62.963 63.100 0.069 0.000 0.771 1241 P CB 1.388 33.113 31.700 0.041 0.000 0.864 1242 V N 2.431 122.450 119.914 0.174 0.000 2.667 1242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 1242 V C 0.902 177.056 176.094 0.101 0.000 1.048 1242 V CA -0.152 62.263 62.300 0.192 0.000 0.928 1242 V CB 1.709 33.628 31.823 0.160 0.000 1.004 1242 V HN 0.903 nan 8.190 nan 0.000 0.444 1243 G N 1.165 110.013 108.800 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 -0.170 4.170 4.340 0.000 0.000 0.208 1244 Q C 2.559 178.563 176.000 0.006 0.000 0.994 1244 Q CA 2.969 58.779 55.803 0.012 0.000 0.857 1244 Q CB -1.988 26.756 28.738 0.011 0.000 0.925 1244 Q HN 1.339 nan 8.270 nan 0.000 0.421 1245 N N -0.091 118.615 118.700 0.010 0.000 2.519 1245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 1245 N C 1.466 176.971 175.510 -0.007 0.000 1.062 1245 N CA 1.778 54.830 53.050 0.003 0.000 0.910 1245 N CB -0.137 38.357 38.487 0.012 0.000 0.958 1245 N HN 1.582 nan 8.380 nan 0.000 0.445 1246 G N -1.871 106.930 108.800 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 -0.804 174.142 174.900 0.077 0.000 1.308 1246 G CA -0.415 44.667 45.100 -0.029 0.000 1.207 1246 G HN 0.455 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 0.222 4.772 4.550 0.000 0.000 0.331 1247 Y C 1.342 177.253 175.900 0.018 0.000 1.241 1247 Y CA -0.086 58.027 58.100 0.021 0.000 1.546 1247 Y CB 0.197 38.672 38.460 0.024 0.000 1.248 1247 Y HN 0.239 nan 8.280 nan 0.000 0.559 1248 I N 6.726 127.406 120.570 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 0.263 61.619 61.300 0.092 0.000 1.292 1248 I CB 0.055 38.093 38.000 0.063 0.000 1.423 1248 I HN 0.366 nan 8.210 nan 0.000 0.493 1249 L N 8.625 129.880 121.223 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 -1.878 52.978 54.840 0.028 0.000 0.818 1249 L CB 2.525 44.611 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 0.650 177.946 177.300 -0.007 0.000 1.428 1250 P CA -0.230 62.865 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 2.679 123.901 121.223 -0.001 0.000 2.131 1251 L HA -0.156 4.184 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 1.308 56.150 54.840 0.003 0.000 0.759 1251 L CB -0.522 41.542 42.059 0.009 0.000 0.903 1251 L HN 0.278 nan 8.230 nan 0.000 0.435 1252 I N -0.422 120.130 120.570 -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 1.013 62.280 61.300 -0.055 0.000 1.380 1252 I CB -0.421 37.536 38.000 -0.072 0.000 1.067 1252 I HN 0.201 nan 8.210 nan 0.000 0.413 1253 D N 1.335 121.689 120.400 -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 1.473 55.421 54.000 -0.087 0.000 0.834 1253 D CB -0.397 40.367 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 -0.017 4.323 4.340 0.000 0.000 0.224 1254 L C 1.710 178.603 176.870 0.038 0.000 1.145 1254 L CA 0.741 55.598 54.840 0.028 0.000 0.834 1254 L CB -0.242 41.837 42.059 0.033 0.000 0.944 1254 L HN 0.034 nan 8.230 nan 0.000 0.451 1255 S N -3.021 112.685 115.700 0.010 0.000 2.568 1255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 1255 S C 0.565 175.161 174.600 -0.006 0.000 0.975 1255 S CA -0.537 57.672 58.200 0.014 0.000 0.949 1255 S CB 0.081 63.285 63.200 0.008 0.000 0.829 1255 S HN 0.111 nan 8.310 nan 0.000 0.479 1256 T N 2.752 117.290 114.554 -0.026 0.000 2.855 1256 T HA 0.603 4.953 4.350 0.000 0.000 0.281 1256 T C -0.604 174.090 174.700 -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 70.168 68.868 -0.174 0.000 0.983 1256 T HN 0.240 nan 8.240 nan 0.000 0.455 1257 L N 2.947 124.164 121.223 -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 -1.131 53.685 54.840 -0.039 0.000 0.806 1257 L CB 0.875 42.791 42.059 -0.238 0.000 1.214 1257 L HN 0.628 nan 8.230 nan 0.000 0.426 1258 Y N 4.064 124.418 120.300 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 -0.077 0.000 0.963 1258 Y CA -1.138 57.063 58.100 0.168 0.000 1.240 1258 Y CB 0.652 39.343 38.460 0.386 0.000 1.118 1258 Y HN 0.531 nan 8.280 nan 0.000 0.484 1259 N N 5.852 124.106 118.700 -0.744 0.000 2.312 1259 N HA 0.573 5.313 4.740 0.000 0.000 0.296 1259 N C -1.523 173.471 175.510 -0.860 0.000 1.193 1259 N CA -0.660 51.893 53.050 -0.828 0.000 0.773 1259 N CB 2.368 40.361 38.487 -0.824 0.000 1.435 1259 N HN 0.567 nan 8.380 nan 0.000 0.484 1260 L N 0.493 121.420 121.223 -0.493 0.000 2.346 1260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 1260 L C 0.014 176.880 176.870 -0.008 0.000 1.006 1260 L CA -0.545 54.181 54.840 -0.189 0.000 0.817 1260 L CB 1.717 43.651 42.059 -0.207 0.000 1.272 1260 L HN 0.380 nan 8.230 nan 0.000 0.421 1261 E N 2.081 122.414 120.200 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 3.090 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 -0.007 118.726 118.700 0.055 0.000 2.453 1262 N HA 0.567 5.307 4.740 0.000 0.000 0.290 1262 N C -1.083 174.464 175.510 0.063 0.000 1.250 1262 N CA -0.608 52.402 53.050 -0.066 0.000 0.815 1262 N CB 1.851 40.201 38.487 -0.229 0.000 1.381 1262 N HN 0.472 nan 8.380 nan 0.000 0.510 1263 S N -1.998 113.739 115.700 0.062 0.000 2.615 1263 S HA 0.863 5.333 4.470 0.000 0.000 0.269 1263 S C -1.659 173.007 174.600 0.110 0.000 1.161 1263 S CA -0.898 57.370 58.200 0.114 0.000 0.817 1263 S CB 1.095 64.403 63.200 0.181 0.000 1.131 1263 S HN 1.092 nan 8.310 nan 0.000 0.467 1264 A N 0.862 123.755 122.820 0.121 0.000 2.414 1264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 1264 A C -1.161 176.510 177.584 0.144 0.000 1.054 1264 A CA -0.682 51.438 52.037 0.138 0.000 0.724 1264 A CB 1.610 20.691 19.000 0.136 0.000 1.267 1264 A HN 0.688 nan 8.150 nan 0.000 0.418 1265 Q N 0.099 120.008 119.800 0.183 0.000 2.372 1265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 1265 Q C -0.698 175.470 176.000 0.281 0.000 1.078 1265 Q CA -0.599 55.360 55.803 0.259 0.000 0.806 1265 Q CB 2.519 31.457 28.738 0.333 0.000 1.332 1265 Q HN 1.085 nan 8.270 nan 0.000 0.435 1266 A N -0.436 122.556 122.820 0.286 0.000 2.486 1266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 1266 A C 0.207 177.908 177.584 0.194 0.000 1.176 1266 A CA -0.138 51.968 52.037 0.115 0.000 0.757 1266 A CB 1.612 20.651 19.000 0.065 0.000 1.337 1266 A HN 1.003 nan 8.150 nan 0.000 0.423 1267 G N -0.913 107.885 108.800 -0.002 0.000 2.155 1267 G HA2 0.014 3.974 3.960 0.000 0.000 0.135 1267 G HA3 0.014 3.974 3.960 0.000 0.000 0.135 1267 G C -0.401 174.481 174.900 -0.030 0.000 1.023 1267 G CA -0.080 45.078 45.100 0.096 0.000 0.688 1267 G HN 0.780 nan 8.290 nan 0.000 0.499 1268 L N 1.380 122.361 121.223 -0.403 0.000 2.397 1268 L HA 0.684 5.024 4.340 0.000 0.000 0.271 1268 L C 0.586 177.358 176.870 -0.163 0.000 1.148 1268 L CA 0.295 54.861 54.840 -0.457 0.000 0.825 1268 L CB 1.447 43.111 42.059 -0.659 0.000 1.117 1268 L HN 0.163 nan 8.230 nan 0.000 0.456 1269 T N 2.416 116.910 114.554 -0.099 0.000 2.916 1269 T HA 0.373 4.723 4.350 0.000 0.000 0.298 1269 T C -2.636 172.030 174.700 -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 70.781 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 0.362 177.634 177.300 -0.048 0.000 1.173 1270 P CA 0.437 63.510 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 -0.904 117.755 118.700 -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 0.920 120.795 119.914 -0.065 0.000 2.555 1272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 1272 V C 0.091 176.156 176.094 -0.049 0.000 1.038 1272 V CA -0.848 61.432 62.300 -0.033 0.000 0.887 1272 V CB 2.161 33.982 31.823 -0.003 0.000 0.991 1272 V HN -0.053 nan 8.190 nan 0.000 0.434 1273 D N 3.317 123.699 120.400 -0.030 0.000 2.434 1273 D HA 0.126 4.766 4.640 0.000 0.000 0.252 1273 D C -0.572 175.744 176.300 0.026 0.000 1.185 1273 D CA 0.496 54.475 54.000 -0.035 0.000 0.886 1273 D CB 0.417 41.219 40.800 0.004 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.598 123.454 119.950 -0.157 0.000 2.385 1274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 1274 F C -0.722 175.021 175.800 -0.096 0.000 1.122 1274 F CA -0.804 57.121 58.000 -0.125 0.000 1.090 1274 F CB 0.811 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 6.967 126.610 119.914 -0.451 0.000 2.384 1275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 1275 V C -0.570 175.270 176.094 -0.422 0.000 1.020 1275 V CA -0.893 61.216 62.300 -0.319 0.000 0.850 1275 V CB 1.420 33.133 31.823 -0.183 0.000 0.987 1275 V HN 0.493 nan 8.190 nan 0.000 0.436 1276 V N 5.465 125.229 119.914 -0.251 0.000 2.328 1276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 1276 V C 0.227 176.185 176.094 -0.227 0.000 1.021 1276 V CA -0.590 61.574 62.300 -0.226 0.000 0.838 1276 V CB 1.082 32.838 31.823 -0.112 0.000 0.999 1276 V HN 0.925 nan 8.190 nan 0.000 0.447 1277 Q N 3.217 122.894 119.800 -0.205 0.000 2.352 1277 Q HA 0.345 4.685 4.340 0.000 0.000 0.260 1277 Q C -1.142 174.610 176.000 -0.413 0.000 0.976 1277 Q CA -0.024 55.646 55.803 -0.222 0.000 0.881 1277 Q CB 0.981 29.645 28.738 -0.123 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.205 120.250 120.300 -0.426 0.000 2.320 1278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 1278 Y C 0.480 175.937 175.900 -0.739 0.000 1.190 1278 Y CA -0.566 57.150 58.100 -0.639 0.000 1.215 1278 Y CB 1.078 39.124 38.460 -0.689 0.000 1.221 1278 Y HN 0.668 nan 8.280 nan 0.000 0.486 1279 A N 2.406 124.954 122.820 -0.453 0.000 2.272 1279 A HA 0.401 4.721 4.320 0.000 0.000 0.275 1279 A C -0.260 177.120 177.584 -0.340 0.000 1.096 1279 A CA -0.732 50.870 52.037 -0.725 0.000 0.822 1279 A CB 0.060 18.822 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 0.203 175.608 175.510 -0.176 0.000 1.226 1280 N CA -0.021 52.915 53.050 -0.190 0.000 0.980 1280 N CB 1.036 39.443 38.487 -0.133 0.000 1.206 1280 N HN 1.418 nan 8.380 nan 0.000 0.558 1281 L N -3.358 117.811 121.223 -0.090 0.000 3.121 1281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 1281 L C -1.050 176.101 176.870 0.467 0.000 0.695 1281 L CA 1.596 56.541 54.840 0.175 0.000 3.096 1281 L CB -1.767 40.336 42.059 0.074 0.000 0.683 1281 L HN 0.745 nan 8.230 nan 0.000 0.743 1282 Y N 1.913 122.226 120.300 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 0.009 0.000 1.172 1282 Y CA -0.922 57.053 58.100 -0.209 0.000 1.280 1282 Y CB 0.502 38.362 38.460 -1.000 0.000 1.234 1282 Y HN 0.069 nan 8.280 nan 0.000 0.512 1283 R N 3.872 124.468 120.500 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 55.550 56.100 0.154 0.000 1.002 1283 R CB 0.269 30.596 30.300 0.045 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.960 123.364 120.300 0.173 0.000 2.531 1284 Y HA 0.033 4.583 4.550 -0.000 0.000 0.347 1284 Y C 1.563 177.523 175.900 0.100 0.000 1.024 1284 Y CA -0.189 58.027 58.100 0.193 0.000 1.306 1284 Y CB 0.605 39.189 38.460 0.206 0.000 1.149 1284 Y HN 0.440 nan 8.280 nan 0.000 0.527 1285 L N 1.911 123.253 121.223 0.198 0.000 2.162 1285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 1285 L C 0.771 177.751 176.870 0.183 0.000 1.086 1285 L CA 0.630 55.529 54.840 0.099 0.000 0.778 1285 L CB -0.129 41.909 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 0.601 5.071 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 -0.685 57.653 58.200 0.230 0.000 0.837 1286 S CB 2.380 65.768 63.200 0.313 0.000 1.124 1286 S HN -0.071 nan 8.310 nan 0.000 0.465 1287 T N 1.982 116.630 114.554 0.156 0.000 2.886 1287 T HA 0.613 4.963 4.350 0.000 0.000 0.292 1287 T C -0.934 173.736 174.700 -0.050 0.000 1.012 1287 T CA -0.422 61.718 62.100 0.066 0.000 0.982 1287 T CB 0.885 69.831 68.868 0.130 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.269 122.740 120.570 -0.165 0.000 2.465 1288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 1288 I C -0.382 175.592 176.117 -0.238 0.000 1.014 1288 I CA -0.980 60.278 61.300 -0.070 0.000 1.093 1288 I CB 1.754 39.817 38.000 0.105 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.365 129.107 122.820 -0.129 0.000 2.335 1289 A HA 0.746 5.066 4.320 0.000 0.000 0.304 1289 A C -1.101 176.588 177.584 0.175 0.000 1.118 1289 A CA -0.472 51.506 52.037 -0.099 0.000 0.757 1289 A CB 1.379 20.211 19.000 -0.281 0.000 1.188 1289 A HN 0.394 nan 8.150 nan 0.000 0.460 1290 V N 3.310 123.355 119.914 0.218 0.000 2.370 1290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 1290 V C -0.659 175.652 176.094 0.362 0.000 1.023 1290 V CA -0.389 62.086 62.300 0.292 0.000 0.857 1290 V CB 1.209 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 5.320 125.388 119.950 0.196 0.000 2.451 1291 F HA 0.367 4.894 4.527 0.000 0.000 0.356 1291 F C 0.444 176.147 175.800 -0.161 0.000 1.178 1291 F CA -1.848 56.179 58.000 0.046 0.000 1.210 1291 F CB 0.173 39.218 39.000 0.075 0.000 1.504 1291 F HN 0.607 nan 8.300 nan 0.000 0.598 1292 D N 4.128 124.528 120.400 -0.002 0.000 2.435 1292 D HA -0.027 4.613 4.640 0.000 0.000 0.230 1292 D C -0.065 175.909 176.300 -0.542 0.000 1.215 1292 D CA 0.089 53.773 54.000 -0.526 0.000 0.947 1292 D CB -0.317 40.422 40.800 -0.101 0.000 1.048 1292 D HN 0.255 nan 8.370 nan 0.000 0.512 1293 N N 2.860 120.986 118.700 -0.957 0.000 3.178 1293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 1293 N C 0.740 175.955 175.510 -0.492 0.000 1.242 1293 N CA 0.455 52.996 53.050 -0.848 0.000 1.192 1293 N CB -0.463 37.329 38.487 -1.159 0.000 1.463 1293 N HN 0.616 nan 8.380 nan 0.000 0.539 1294 G N 0.787 109.394 108.800 -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 0.513 45.491 45.100 -0.203 0.000 0.922 1294 G HN 1.083 nan 8.290 nan 0.000 0.503 1295 G N -2.336 106.297 108.800 -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 0.461 175.238 174.900 -0.204 0.000 0.984 1295 G CA 0.681 45.687 45.100 -0.157 0.000 0.633 1295 G HN 1.751 nan 8.290 nan 0.000 0.525 1296 S N 0.119 115.567 115.700 -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 -0.652 0.000 1.151 1296 S CA -0.334 57.667 58.200 -0.332 0.000 1.082 1296 S CB 0.929 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 2.916 122.764 119.950 -0.170 0.000 2.445 1297 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 1297 F C 0.469 176.209 175.800 -0.100 0.000 1.125 1297 F CA -0.851 57.057 58.000 -0.153 0.000 0.983 1297 F CB 1.178 40.090 39.000 -0.147 0.000 1.198 1297 F HN 0.391 nan 8.300 nan 0.000 0.436 1298 N N 1.420 120.120 118.700 -0.001 0.000 2.430 1298 N HA 0.513 5.253 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 52.362 53.050 0.034 0.000 0.894 1298 N CB 2.198 40.670 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 0.468 4.788 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 0.282 52.399 52.037 0.134 0.000 1.413 1299 A CB -1.397 17.661 19.000 0.096 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.118 110.091 108.800 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 1.278 176.265 174.900 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 -0.741 113.879 114.554 0.110 0.000 3.007 1301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 1301 T C 1.509 176.239 174.700 0.051 0.000 1.107 1301 T CA 1.795 63.935 62.100 0.067 0.000 1.118 1301 T CB -0.196 68.700 68.868 0.046 0.000 0.889 1301 T HN 0.605 nan 8.240 nan 0.000 0.506 1302 D N 0.416 120.858 120.400 0.070 0.000 2.368 1302 D HA 0.226 4.866 4.640 0.000 0.000 0.218 1302 D C 0.218 176.601 176.300 0.139 0.000 1.112 1302 D CA -0.467 53.581 54.000 0.081 0.000 0.834 1302 D CB -0.276 40.533 40.800 0.016 0.000 0.953 1302 D HN 0.471 nan 8.370 nan 0.000 0.505 1303 I N 0.431 121.040 120.570 0.064 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.645 176.712 176.117 -0.083 0.000 1.040 1303 I CA -0.881 60.384 61.300 -0.058 0.000 1.068 1303 I CB 2.121 40.022 38.000 -0.165 0.000 1.251 1303 I HN -0.271 nan 8.210 nan 0.000 0.424 1304 N N 3.700 122.302 118.700 -0.162 0.000 2.197 1304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 1304 N C -0.591 174.923 175.510 0.006 0.000 1.030 1304 N CA 1.371 54.369 53.050 -0.087 0.000 0.851 1304 N CB 0.285 38.678 38.487 -0.157 0.000 1.003 1304 N HN 0.633 nan 8.380 nan 0.000 0.430 1305 Y N -1.936 118.281 120.300 -0.137 0.000 2.713 1305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 1305 Y C -1.782 173.935 175.900 -0.305 0.000 1.222 1305 Y CA -1.430 56.571 58.100 -0.166 0.000 1.061 1305 Y CB 0.475 38.880 38.460 -0.091 0.000 1.314 1305 Y HN -0.277 nan 8.280 nan 0.000 0.453 1306 L N 1.691 122.829 121.223 -0.142 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.094 176.634 176.870 -0.236 0.000 1.014 1306 L CA -0.543 53.969 54.840 -0.548 0.000 0.820 1306 L CB 2.203 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 -0.175 115.300 115.700 -0.374 0.000 2.636 1307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 1307 S C -2.101 172.390 174.600 -0.181 0.000 1.147 1307 S CA -0.630 57.548 58.200 -0.037 0.000 0.815 1307 S CB 1.537 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 1.127 120.935 119.800 0.013 0.000 2.321 1308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 1308 Q C -1.017 175.003 176.000 0.034 0.000 1.032 1308 Q CA -0.597 55.239 55.803 0.054 0.000 0.784 1308 Q CB 2.353 31.175 28.738 0.140 0.000 1.264 1308 Q HN 0.558 nan 8.270 nan 0.000 0.448 1309 R N 1.019 121.540 120.500 0.036 0.000 2.686 1309 R HA 0.549 4.889 4.340 0.000 0.000 0.283 1309 R C -1.189 175.121 176.300 0.015 0.000 0.978 1309 R CA -0.339 55.770 56.100 0.015 0.000 0.897 1309 R CB 1.737 32.038 30.300 0.001 0.000 1.192 1309 R HN 0.699 nan 8.270 nan 0.000 0.457 1310 T N 0.756 115.310 114.554 0.000 0.000 2.794 1310 T HA 0.595 4.945 4.350 0.000 0.000 0.280 1310 T C 0.241 174.936 174.700 -0.009 0.000 0.987 1310 T CA -0.753 61.342 62.100 -0.007 0.000 0.993 1310 T CB 1.672 70.532 68.868 -0.013 0.000 0.939 1310 T HN 0.694 nan 8.240 nan 0.000 0.449 1311 A N 2.508 125.322 122.820 -0.010 0.000 2.566 1311 A HA 0.456 4.776 4.320 0.000 0.000 0.245 1311 A C 1.463 179.040 177.584 -0.011 0.000 1.056 1311 A CA 0.565 52.596 52.037 -0.010 0.000 0.757 1311 A CB -1.948 17.046 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 0.326 175.829 175.510 -0.010 0.000 1.062 1312 N CA 2.088 55.133 53.050 -0.010 0.000 0.696 1312 N CB -2.244 36.237 38.487 -0.009 0.000 0.946 1312 N HN 2.497 nan 8.380 nan 0.000 0.548 1313 F N -1.944 118.000 119.950 -0.011 0.000 3.281 1313 F HA 0.754 5.281 4.527 0.000 0.000 0.339 1313 F C 1.329 177.120 175.800 -0.014 0.000 1.275 1313 F CA 1.312 59.305 58.000 -0.012 0.000 0.843 1313 F CB -0.830 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 -0.364 174.225 174.600 -0.018 0.000 2.861 1314 S CA 1.515 59.704 58.200 -0.019 0.000 3.097 1314 S CB -1.137 62.048 63.200 -0.025 0.000 0.331 1314 S HN 1.120 nan 8.310 nan 0.000 1.767 1315 D N 0.781 121.165 120.400 -0.026 0.000 2.302 1315 D HA 0.460 5.100 4.640 0.000 0.000 0.248 1315 D C 1.216 177.507 176.300 -0.016 0.000 1.094 1315 D CA 0.407 54.395 54.000 -0.021 0.000 0.897 1315 D CB 1.046 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 -1.212 113.340 114.554 -0.003 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.689 175.389 174.700 -0.001 0.000 1.081 1316 T CA -0.365 61.732 62.100 -0.005 0.000 1.040 1316 T CB -0.059 68.806 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 -0.951 175.420 176.300 0.117 0.000 1.438 1317 R CA -0.652 55.472 56.100 0.041 0.000 1.334 1317 R CB -0.337 29.963 30.300 0.000 0.000 1.523 1317 R HN 0.084 nan 8.270 nan 0.000 0.741 1318 K N 3.020 123.443 120.400 0.039 0.000 2.310 1318 K HA 0.323 4.643 4.320 0.000 0.000 0.290 1318 K C -0.967 175.654 176.600 0.034 0.000 1.077 1318 K CA -0.178 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 0.454 nan 8.250 nan 0.000 0.479 1319 L N 3.326 124.657 121.223 0.180 0.000 2.388 1319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 1319 L C -0.422 176.581 176.870 0.221 0.000 0.998 1319 L CA -1.368 53.597 54.840 0.209 0.000 0.817 1319 L CB 2.048 44.305 42.059 0.330 0.000 1.338 1319 L HN 0.745 nan 8.230 nan 0.000 0.414 1320 D N 0.524 121.027 120.400 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 41.492 40.800 0.120 0.000 1.187 1320 D HN 0.195 nan 8.370 nan 0.000 0.435 1321 P HA -0.200 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 1.533 64.737 63.100 0.173 0.000 0.858 1321 P CB 0.110 31.880 31.700 0.117 0.000 0.789 1322 K N -1.200 119.329 120.400 0.214 0.000 2.097 1322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 1322 K C 1.953 178.677 176.600 0.208 0.000 1.050 1322 K CA 1.602 58.008 56.287 0.200 0.000 0.938 1322 K CB -0.701 31.882 32.500 0.138 0.000 0.718 1322 K HN 0.157 nan 8.250 nan 0.000 0.442 1323 T N 0.517 115.190 114.554 0.200 0.000 2.904 1323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 1323 T C 1.178 176.012 174.700 0.222 0.000 1.059 1323 T CA 0.646 62.849 62.100 0.171 0.000 1.137 1323 T CB -0.132 68.817 68.868 0.135 0.000 0.879 1323 T HN 0.430 nan 8.240 nan 0.000 0.467 1324 W N 2.156 123.526 121.300 0.117 0.000 2.381 1324 W HA -0.063 4.597 4.660 -0.000 0.000 0.301 1324 W C 2.447 179.085 176.519 0.197 0.000 1.205 1324 W CA 1.220 58.655 57.345 0.149 0.000 1.285 1324 W CB -0.568 28.989 29.460 0.161 0.000 1.133 1324 W HN 0.288 nan 8.180 nan 0.000 0.521 1325 A N 0.886 124.000 122.820 0.490 0.000 1.972 1325 A HA -0.060 4.260 4.320 0.000 0.000 0.219 1325 A C 2.178 179.883 177.584 0.201 0.000 1.169 1325 A CA 2.476 54.734 52.037 0.369 0.000 0.635 1325 A CB -1.195 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 -0.741 122.170 122.820 0.153 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 1.690 53.780 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 -0.441 119.368 119.800 0.014 0.000 2.124 1327 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 1327 Q C 2.115 178.131 176.000 0.027 0.000 0.977 1327 Q CA 2.011 57.792 55.803 -0.036 0.000 0.850 1327 Q CB -1.324 27.306 28.738 -0.179 0.000 0.901 1327 Q HN 0.637 nan 8.270 nan 0.000 0.429 1328 T N 1.247 115.855 114.554 0.089 0.000 2.821 1328 T HA -0.074 4.276 4.350 0.000 0.000 0.267 1328 T C 1.818 176.582 174.700 0.105 0.000 1.046 1328 T CA 0.823 63.049 62.100 0.210 0.000 1.139 1328 T CB -0.063 69.026 68.868 0.368 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.726 121.267 120.500 0.069 0.000 2.159 1329 R HA 0.015 4.355 4.340 0.000 0.000 0.237 1329 R C 2.444 178.748 176.300 0.006 0.000 1.131 1329 R CA 0.796 56.907 56.100 0.018 0.000 0.982 1329 R CB -0.084 30.231 30.300 0.026 0.000 0.868 1329 R HN 0.242 nan 8.270 nan 0.000 0.453 1330 R N 0.149 120.663 120.500 0.024 0.000 2.235 1330 R HA 0.017 4.357 4.340 0.000 0.000 0.213 1330 R C 1.848 178.162 176.300 0.023 0.000 1.059 1330 R CA 0.692 56.802 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 0.169 nan 8.270 nan 0.000 0.462 1331 R N 0.452 120.979 120.500 0.045 0.000 2.146 1331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 1331 R C 2.029 178.312 176.300 -0.028 0.000 1.049 1331 R CA 0.771 56.905 56.100 0.056 0.000 1.029 1331 R CB 0.031 30.444 30.300 0.188 0.000 0.949 1331 R HN 0.313 nan 8.270 nan 0.000 0.471 1332 I N -3.940 116.573 120.570 -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 0.096 61.285 61.300 -0.185 0.000 1.124 1332 I CB 0.889 38.645 38.000 -0.406 0.000 1.129 1332 I HN -0.037 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 -0.216 4.104 4.320 0.000 0.000 0.261 1333 A C 0.644 178.177 177.584 -0.083 0.000 1.351 1333 A CA 1.686 53.677 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 0.815 nan 8.150 nan 0.000 0.729 1334 T N -1.871 112.615 114.554 -0.114 0.000 2.654 1334 T HA 0.493 4.843 4.350 0.000 0.000 0.303 1334 T C -2.144 172.477 174.700 -0.133 0.000 1.656 1334 T CA 0.134 62.170 62.100 -0.106 0.000 0.971 1334 T CB 0.926 69.723 68.868 -0.119 0.000 1.811 1334 T HN 0.284 nan 8.240 nan 0.000 0.483 1335 D N 0.609 120.951 120.400 -0.097 0.000 2.181 1335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 1335 D C -0.255 175.962 176.300 -0.140 0.000 1.020 1335 D CA -0.113 53.852 54.000 -0.058 0.000 0.891 1335 D CB 0.815 41.629 40.800 0.023 0.000 1.187 1335 D HN 0.330 nan 8.370 nan 0.000 0.443 1336 F N 0.640 120.522 119.950 -0.113 0.000 2.399 1336 F HA 0.219 4.746 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 -1.255 56.601 58.000 -0.241 0.000 1.192 1336 F CB 0.034 38.787 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 -1.197 176.128 177.300 0.042 0.000 1.227 1337 P CA -0.269 62.888 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 1.099 121.533 120.400 0.058 0.000 2.530 1338 K HA 0.143 4.463 4.320 0.000 0.000 0.280 1338 K C 1.283 177.940 176.600 0.096 0.000 1.004 1338 K CA 1.235 57.557 56.287 0.059 0.000 1.071 1338 K CB -0.733 31.823 32.500 0.093 0.000 0.876 1338 K HN 0.857 nan 8.250 nan 0.000 0.487 1339 G N 1.178 109.984 108.800 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 0.040 45.209 45.100 0.115 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.037 120.730 119.914 -0.369 0.000 2.370 1340 V HA 0.644 4.764 4.120 0.000 0.000 0.279 1340 V C -0.298 175.424 176.094 -0.621 0.000 1.029 1340 V CA -0.765 61.321 62.300 -0.357 0.000 0.870 1340 V CB 0.818 32.410 31.823 -0.384 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 -0.773 57.473 58.100 0.244 0.000 1.078 1341 Y CB 1.744 40.290 38.460 0.143 0.000 1.193 1341 Y HN 0.638 nan 8.280 nan 0.000 0.452 1342 Y N 2.437 123.027 120.300 0.484 0.000 2.468 1342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 1342 Y C -1.127 175.058 175.900 0.474 0.000 1.021 1342 Y CA -1.798 56.488 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 6.540 125.555 119.300 -0.475 0.000 2.505 1343 C HA 0.365 4.825 4.460 0.000 0.000 0.342 1343 C C -1.389 173.188 174.990 -0.688 0.000 1.121 1343 C CA -0.701 58.096 59.018 -0.368 0.000 1.306 1343 C CB -0.021 27.892 27.740 0.288 0.000 1.897 1343 C HN 0.887 nan 8.230 nan 0.000 0.446 1344 D N 3.977 124.061 120.400 -0.527 0.000 2.274 1344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 1344 D C 0.037 176.294 176.300 -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 3.444 122.144 118.700 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 0.478 121.010 120.500 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 1.148 57.277 56.100 0.048 0.000 0.960 1346 R CB 0.099 30.464 30.300 0.109 0.000 0.856 1346 R HN 0.117 nan 8.270 nan 0.000 0.436 1347 D N 0.389 120.805 120.400 0.027 0.000 2.224 1347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 1347 D C 0.184 176.491 176.300 0.010 0.000 0.965 1347 D CA 1.254 55.264 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 0.115 nan 8.370 nan 0.000 0.494 1348 K N 0.824 121.232 120.400 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 -1.429 54.867 56.287 0.015 0.000 1.033 1348 K CB 2.477 34.983 32.500 0.011 0.000 1.229 1348 K HN -0.127 nan 8.250 nan 0.000 0.572 1349 P HA -0.029 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 -0.191 62.943 63.100 0.058 0.000 0.768 1349 P CB 0.460 32.190 31.700 0.049 0.000 0.838 1350 I N 3.740 124.350 120.570 0.067 0.000 2.587 1350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 1350 I C -0.047 176.195 176.117 0.209 0.000 1.134 1350 I CA 0.412 61.699 61.300 -0.021 0.000 1.410 1350 I CB -1.159 36.582 38.000 -0.431 0.000 1.392 1350 I HN 0.419 nan 8.210 nan 0.000 0.545 1351 Y N 6.236 126.540 120.300 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 0.008 0.000 1.101 1351 Y CA -0.873 57.256 58.100 0.048 0.000 1.228 1351 Y CB 1.344 39.834 38.460 0.050 0.000 1.123 1351 Y HN 0.725 nan 8.280 nan 0.000 0.457 1352 T N 1.358 115.783 114.554 -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 2.370 64.335 62.100 -0.225 0.000 1.142 1352 T CB -0.626 68.138 68.868 -0.174 0.000 0.868 1352 T HN 1.590 nan 8.240 nan 0.000 0.435 1353 L N -2.137 118.798 121.223 -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 2.510 57.124 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 -1.851 117.867 119.800 -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 -0.277 55.493 55.803 -0.055 0.000 0.772 1354 Q CB 0.851 29.566 28.738 -0.039 0.000 1.253 1354 Q HN 1.701 nan 8.270 nan 0.000 0.450 1355 Y N 1.554 121.800 120.300 -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 2.274 60.325 58.100 -0.082 0.000 1.604 1355 Y CB 0.144 38.551 38.460 -0.087 0.000 1.216 1355 Y HN 1.375 nan 8.280 nan 0.000 0.541 1356 G N 2.069 110.682 108.800 -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 0.801 175.666 174.900 -0.058 0.000 0.979 1356 G CA 0.691 45.709 45.100 -0.136 0.000 0.650 1356 G HN 1.080 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 0.986 176.476 175.510 -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 -1.050 118.848 119.914 -0.028 0.000 2.789 1358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 1358 V C 0.372 176.569 176.094 0.172 0.000 1.073 1358 V CA -0.657 61.661 62.300 0.029 0.000 0.921 1358 V CB 1.505 33.294 31.823 -0.058 0.000 1.009 1358 V HN 0.526 nan 8.190 nan 0.000 0.426 1359 G N 1.608 110.521 108.800 0.188 0.000 2.619 1359 G HA2 0.674 4.633 3.960 0.000 0.000 0.296 1359 G HA3 0.674 4.633 3.960 0.000 0.000 0.296 1359 G C -1.939 173.107 174.900 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 1.838 121.784 119.950 -0.007 0.000 2.410 1360 F HA 0.636 5.163 4.527 -0.000 0.000 0.349 1360 F C -0.220 175.554 175.800 -0.044 0.000 1.117 1360 F CA -0.513 57.511 58.000 0.039 0.000 1.104 1360 F CB 1.650 40.612 39.000 -0.062 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.547 126.152 119.914 -0.515 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 -0.379 175.500 176.094 -0.360 0.000 1.026 1362 V CA -0.632 61.467 62.300 -0.335 0.000 0.856 1362 V CB 1.933 33.587 31.823 -0.282 0.000 1.001 1362 V HN 0.896 nan 8.190 nan 0.000 0.424 1363 N N 7.086 125.428 118.700 -0.597 0.000 2.546 1363 N HA 0.371 5.111 4.740 0.000 0.000 0.238 1363 N C -2.730 172.486 175.510 -0.490 0.000 0.984 1363 N CA -1.616 51.068 53.050 -0.611 0.000 0.935 1363 N CB 2.506 40.313 38.487 -1.134 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.145 nan 4.420 nan 0.000 0.279 1364 P C 0.197 177.425 177.300 -0.120 0.000 1.239 1364 P CA -0.198 62.764 63.100 -0.230 0.000 0.789 1364 P CB 2.090 33.647 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 0.516 177.114 176.600 -0.002 0.000 1.050 1365 K CA 1.035 57.308 56.287 -0.025 0.000 0.966 1365 K CB 0.159 32.656 32.500 -0.006 0.000 0.759 1365 K HN 0.646 nan 8.250 nan 0.000 0.454 1366 T N -1.427 113.146 114.554 0.032 0.000 2.886 1366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 1366 T C -0.860 173.871 174.700 0.051 0.000 1.012 1366 T CA -0.928 61.181 62.100 0.016 0.000 0.982 1366 T CB 2.024 70.884 68.868 -0.013 0.000 1.018 1366 T HN -0.180 nan 8.240 nan 0.000 0.451 1367 V N 4.141 124.067 119.914 0.019 0.000 2.443 1367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 1367 V C -0.322 175.752 176.094 -0.033 0.000 1.021 1367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 1367 V CB 1.313 33.144 31.823 0.013 0.000 0.998 1367 V HN 0.900 nan 8.190 nan 0.000 0.424 1368 N N 2.556 121.208 118.700 -0.080 0.000 2.413 1368 N HA 0.306 5.046 4.740 0.000 0.000 0.266 1368 N C -0.022 175.444 175.510 -0.073 0.000 1.238 1368 N CA -0.654 52.340 53.050 -0.092 0.000 0.972 1368 N CB 0.519 38.920 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 0.363 56.138 55.803 -0.048 0.000 0.888 1369 Q CB 0.096 28.812 28.738 -0.037 0.000 1.222 1369 Q HN 0.470 nan 8.270 nan 0.000 0.400 1370 N N -1.123 117.554 118.700 -0.038 0.000 2.776 1370 N HA -0.179 4.561 4.740 0.000 0.000 0.249 1370 N C -0.729 174.754 175.510 -0.044 0.000 1.111 1370 N CA 0.991 54.022 53.050 -0.032 0.000 0.711 1370 N CB -1.286 37.185 38.487 -0.027 0.000 1.065 1370 N HN 0.675 nan 8.380 nan 0.000 0.556 1371 A N 0.775 123.567 122.820 -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 0.176 52.200 52.037 -0.021 0.000 0.798 1371 A CB 0.675 19.702 19.000 0.044 0.000 1.033 1371 A HN 0.479 nan 8.150 nan 0.000 0.488 1372 R N 0.552 121.083 120.500 0.051 0.000 2.709 1372 R HA 0.576 4.916 4.340 0.000 0.000 0.270 1372 R C -2.142 174.220 176.300 0.104 0.000 1.038 1372 R CA -0.927 55.187 56.100 0.023 0.000 0.872 1372 R CB 0.785 31.120 30.300 0.058 0.000 1.259 1372 R HN 0.452 nan 8.270 nan 0.000 0.473 1373 L N 2.521 123.792 121.223 0.081 0.000 2.296 1373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 1373 L C -0.679 176.294 176.870 0.170 0.000 1.023 1373 L CA -1.047 53.874 54.840 0.136 0.000 0.812 1373 L CB 1.648 43.790 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 0.421 4.761 4.340 0.000 0.000 0.288 1374 L C -0.100 176.874 176.870 0.173 0.000 1.035 1374 L CA -0.284 54.714 54.840 0.263 0.000 0.820 1374 L CB 1.128 43.464 42.059 0.461 0.000 1.204 1374 L HN 0.487 nan 8.230 nan 0.000 0.424 1375 M N 2.406 122.007 119.600 0.003 0.000 2.367 1375 M HA 0.549 5.029 4.480 0.000 0.000 0.339 1375 M C 0.378 176.387 176.300 -0.484 0.000 1.177 1375 M CA -0.383 54.736 55.300 -0.302 0.000 1.068 1375 M CB 1.449 33.826 32.600 -0.373 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 -0.796 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 -0.784 0.000 1.416 1376 G CA -0.285 44.134 45.100 -1.135 0.000 1.005 1376 G HN 0.581 nan 8.290 nan 0.000 0.509 1377 Y N 0.197 120.498 120.300 0.002 0.000 2.499 1377 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 1377 Y C 0.286 176.420 175.900 0.389 0.000 0.987 1377 Y CA -0.908 57.400 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 2.371 122.879 120.200 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 1.688 31.561 29.700 0.289 0.000 1.133 1378 E HN 0.560 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 -1.703 174.132 175.900 -0.109 0.000 1.185 1379 Y CA -1.446 56.546 58.100 -0.180 0.000 1.053 1379 Y CB 1.017 39.219 38.460 -0.430 0.000 1.298 1379 Y HN 0.307 nan 8.280 nan 0.000 0.459 1380 F N 0.646 120.694 119.950 0.163 0.000 2.522 1380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 1380 F C 0.118 175.970 175.800 0.087 0.000 1.077 1380 F CA -0.945 57.100 58.000 0.074 0.000 0.944 1380 F CB 2.564 41.559 39.000 -0.008 0.000 1.175 1380 F HN 0.722 nan 8.300 nan 0.000 0.468 1381 T N 1.119 115.818 114.554 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 1.212 70.126 68.868 0.078 0.000 1.319 1381 T HN 0.695 nan 8.240 nan 0.000 0.485 1382 S N 3.254 119.002 115.700 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 64.173 63.200 0.043 0.000 0.919 1382 S HN 0.805 nan 8.310 nan 0.000 0.515 1383 R N 1.591 122.104 120.500 0.022 0.000 2.193 1383 R HA 0.047 4.387 4.340 0.000 0.000 0.229 1383 R C 1.505 177.828 176.300 0.039 0.000 1.110 1383 R CA 0.990 57.103 56.100 0.021 0.000 0.988 1383 R CB -1.746 28.567 30.300 0.021 0.000 0.871 1383 R HN 1.085 nan 8.270 nan 0.000 0.458 1384 T N 0.000 114.580 114.554 0.043 0.000 3.816 1384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1384 T CA 0.000 62.128 62.100 0.046 0.000 1.349 1384 T CB 0.000 68.904 68.868 0.060 0.000 0.612 1384 T HN 0.000 nan 8.240 nan 0.000 0.658