REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gw7_1_A DATA FIRST_RESID 1015 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1015 L HA 0.000 nan 4.340 nan 0.000 0.249 1015 L C 0.000 176.872 176.870 0.003 0.000 1.165 1015 L CA 0.000 54.843 54.840 0.005 0.000 0.813 1015 L CB 0.000 42.062 42.059 0.005 0.000 0.961 1016 R N 0.141 120.642 120.500 0.003 0.000 2.366 1016 R HA 0.246 4.586 4.340 0.000 0.000 0.201 1016 R C 1.588 177.888 176.300 -0.001 0.000 1.057 1016 R CA 2.222 58.323 56.100 0.001 0.000 1.086 1016 R CB -1.965 28.336 30.300 0.003 0.000 0.914 1016 R HN 1.968 nan 8.270 nan 0.000 0.476 1017 N N -0.453 118.246 118.700 -0.002 0.000 2.135 1017 N HA -0.173 4.567 4.740 0.000 0.000 0.186 1017 N C 2.489 177.993 175.510 -0.009 0.000 1.027 1017 N CA 1.922 54.969 53.050 -0.006 0.000 0.849 1017 N CB -0.759 37.724 38.487 -0.005 0.000 1.002 1017 N HN 0.745 nan 8.380 nan 0.000 0.425 1018 Q N 0.242 120.037 119.800 -0.007 0.000 2.133 1018 Q HA -0.328 4.012 4.340 0.000 0.000 0.208 1018 Q C 2.141 178.135 176.000 -0.009 0.000 0.991 1018 Q CA 2.254 58.052 55.803 -0.009 0.000 0.867 1018 Q CB -1.083 27.652 28.738 -0.006 0.000 0.911 1018 Q HN 0.954 nan 8.270 nan 0.000 0.417 1019 Q N -0.542 119.255 119.800 -0.006 0.000 2.079 1019 Q HA 0.058 4.398 4.340 0.000 0.000 0.200 1019 Q C 2.567 178.563 176.000 -0.007 0.000 0.974 1019 Q CA 1.210 57.010 55.803 -0.005 0.000 0.840 1019 Q CB -0.242 28.494 28.738 -0.002 0.000 0.898 1019 Q HN 0.724 nan 8.270 nan 0.000 0.430 1020 A N 1.263 124.078 122.820 -0.008 0.000 1.877 1020 A HA -0.172 4.148 4.320 0.000 0.000 0.216 1020 A C 2.141 179.714 177.584 -0.018 0.000 1.186 1020 A CA 1.467 53.498 52.037 -0.011 0.000 0.620 1020 A CB -0.513 18.481 19.000 -0.011 0.000 0.822 1020 A HN 0.270 nan 8.150 nan 0.000 0.443 1021 M N -0.604 118.982 119.600 -0.022 0.000 2.132 1021 M HA -0.108 4.372 4.480 0.000 0.000 0.263 1021 M C 2.557 178.842 176.300 -0.026 0.000 1.065 1021 M CA 1.342 56.624 55.300 -0.031 0.000 1.122 1021 M CB -0.515 32.065 32.600 -0.034 0.000 1.365 1021 M HN 0.479 nan 8.290 nan 0.000 0.411 1022 A N 0.666 123.476 122.820 -0.018 0.000 1.902 1022 A HA -0.064 4.256 4.320 0.000 0.000 0.217 1022 A C 2.399 179.976 177.584 -0.012 0.000 1.181 1022 A CA 2.038 54.067 52.037 -0.014 0.000 0.623 1022 A CB -0.894 18.100 19.000 -0.010 0.000 0.818 1022 A HN 0.491 nan 8.150 nan 0.000 0.443 1023 A N 0.216 123.030 122.820 -0.010 0.000 1.873 1023 A HA -0.195 4.125 4.320 0.000 0.000 0.215 1023 A C 1.959 179.537 177.584 -0.009 0.000 1.186 1023 A CA 2.046 54.079 52.037 -0.006 0.000 0.616 1023 A CB -0.848 18.151 19.000 -0.003 0.000 0.823 1023 A HN 0.656 nan 8.150 nan 0.000 0.442 1024 N N -0.271 118.420 118.700 -0.016 0.000 2.036 1024 N HA -0.200 4.540 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 1.899 54.935 53.050 -0.023 0.000 0.855 1024 N CB -0.363 38.102 38.487 -0.037 0.000 1.033 1024 N HN 0.294 nan 8.380 nan 0.000 0.423 1025 L N 1.087 122.293 121.223 -0.028 0.000 2.079 1025 L HA -0.134 4.206 4.340 0.000 0.000 0.210 1025 L C 2.338 179.197 176.870 -0.018 0.000 1.081 1025 L CA 1.784 56.608 54.840 -0.027 0.000 0.752 1025 L CB -1.150 40.893 42.059 -0.027 0.000 0.896 1025 L HN 0.432 nan 8.230 nan 0.000 0.433 1026 Q N -0.916 118.876 119.800 -0.013 0.000 2.079 1026 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 1026 Q C 2.120 178.117 176.000 -0.005 0.000 0.974 1026 Q CA 1.708 57.507 55.803 -0.007 0.000 0.840 1026 Q CB -0.180 28.556 28.738 -0.003 0.000 0.898 1026 Q HN 0.624 nan 8.270 nan 0.000 0.430 1027 A N 1.357 124.175 122.820 -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 1.469 53.506 52.037 0.000 0.000 0.628 1027 A CB -0.683 18.319 19.000 0.004 0.000 0.814 1027 A HN 0.436 nan 8.150 nan 0.000 0.444 1028 R N -0.279 120.213 120.500 -0.013 0.000 2.083 1028 R HA -0.187 4.153 4.340 0.000 0.000 0.237 1028 R C 2.286 178.577 176.300 -0.016 0.000 1.137 1028 R CA 1.880 57.970 56.100 -0.018 0.000 0.951 1028 R CB -0.357 29.929 30.300 -0.024 0.000 0.851 1028 R HN 0.696 nan 8.270 nan 0.000 0.434 1029 Q N 0.099 119.890 119.800 -0.014 0.000 2.124 1029 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 1029 Q C 2.274 178.268 176.000 -0.010 0.000 0.977 1029 Q CA 1.526 57.322 55.803 -0.013 0.000 0.850 1029 Q CB -0.092 28.640 28.738 -0.011 0.000 0.901 1029 Q HN 0.475 nan 8.270 nan 0.000 0.429 1030 I N 0.167 120.734 120.570 -0.005 0.000 2.252 1030 I HA -0.232 3.938 4.170 0.000 0.000 0.245 1030 I C 2.307 178.423 176.117 -0.002 0.000 1.102 1030 I CA 0.746 62.047 61.300 0.001 0.000 1.385 1030 I CB -0.266 37.739 38.000 0.008 0.000 1.064 1030 I HN 0.008 nan 8.210 nan 0.000 0.414 1031 V N 1.201 121.109 119.914 -0.009 0.000 2.295 1031 V HA -0.275 3.845 4.120 0.000 0.000 0.246 1031 V C 2.406 178.487 176.094 -0.022 0.000 1.049 1031 V CA 1.756 64.045 62.300 -0.019 0.000 1.024 1031 V CB -0.435 31.371 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 -0.238 4.101 4.340 0.000 0.000 0.209 1032 L C 2.623 179.472 176.870 -0.034 0.000 1.083 1032 L CA 1.986 56.804 54.840 -0.036 0.000 0.752 1032 L CB -0.562 41.475 42.059 -0.036 0.000 0.899 1032 L HN 0.438 nan 8.230 nan 0.000 0.433 1033 Q N -0.605 119.183 119.800 -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 1.136 56.934 55.803 -0.009 0.000 0.838 1033 Q CB 0.214 28.950 28.738 -0.003 0.000 0.900 1033 Q HN 0.458 nan 8.270 nan 0.000 0.436 1034 Q N 0.298 120.104 119.800 0.010 0.000 2.250 1034 Q HA 0.053 4.393 4.340 0.000 0.000 0.200 1034 Q C 1.240 177.265 176.000 0.043 0.000 0.941 1034 Q CA 0.749 56.569 55.803 0.028 0.000 0.872 1034 Q CB 0.425 29.178 28.738 0.026 0.000 0.965 1034 Q HN 0.346 nan 8.270 nan 0.000 0.480 1035 S N -0.566 115.149 115.700 0.024 0.000 2.634 1035 S HA 0.320 4.790 4.470 0.000 0.000 0.261 1035 S C -0.581 174.064 174.600 0.075 0.000 1.271 1035 S CA -0.633 57.592 58.200 0.042 0.000 0.985 1035 S CB 0.782 63.985 63.200 0.004 0.000 0.968 1035 S HN 0.205 nan 8.310 nan 0.000 0.568 1036 Y N 0.839 121.119 120.300 -0.034 0.000 2.391 1036 Y HA 0.524 5.074 4.550 0.000 0.000 0.341 1036 Y C -2.831 173.014 175.900 -0.093 0.000 0.965 1036 Y CA -2.284 55.785 58.100 -0.051 0.000 1.067 1036 Y CB 1.908 40.344 38.460 -0.041 0.000 1.199 1036 Y HN 0.517 nan 8.280 nan 0.000 0.450 1037 P HA 0.234 nan 4.420 nan 0.000 0.276 1037 P C -1.400 175.743 177.300 -0.261 0.000 1.230 1037 P CA 0.031 62.914 63.100 -0.362 0.000 0.776 1037 P CB 1.057 32.517 31.700 -0.400 0.000 0.888 1038 V N 4.740 124.440 119.914 -0.357 0.000 2.760 1038 V HA 0.466 4.586 4.120 0.000 0.000 0.309 1038 V C -0.275 175.629 176.094 -0.317 0.000 1.077 1038 V CA -0.634 61.448 62.300 -0.363 0.000 0.910 1038 V CB 2.344 33.755 31.823 -0.688 0.000 1.008 1038 V HN 0.472 nan 8.190 nan 0.000 0.424 1039 I N 3.703 124.226 120.570 -0.079 0.000 2.418 1039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 1039 I C -0.744 175.490 176.117 0.196 0.000 1.008 1039 I CA -0.094 61.251 61.300 0.075 0.000 1.104 1039 I CB 1.520 39.556 38.000 0.060 0.000 1.264 1039 I HN 0.844 nan 8.210 nan 0.000 0.438 1040 Q N 6.674 126.678 119.800 0.340 0.000 2.331 1040 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 1040 Q C -1.446 174.780 176.000 0.376 0.000 1.062 1040 Q CA -0.756 55.268 55.803 0.369 0.000 0.806 1040 Q CB 2.245 31.200 28.738 0.360 0.000 1.312 1040 Q HN 0.729 nan 8.270 nan 0.000 0.431 1041 Q N 2.044 121.998 119.800 0.256 0.000 2.311 1041 Q HA 0.167 4.507 4.340 0.000 0.000 0.272 1041 Q C 0.202 176.213 176.000 0.018 0.000 1.012 1041 Q CA 0.176 55.924 55.803 -0.092 0.000 0.891 1041 Q CB 0.978 29.585 28.738 -0.218 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 0.010 0.000 3.572 1042 V HA 0.431 4.551 4.120 0.000 0.000 0.260 1042 V C 0.073 176.181 176.094 0.023 0.000 1.324 1042 V CA 0.423 62.759 62.300 0.060 0.000 1.068 1042 V CB 0.402 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 -0.621 119.570 120.200 -0.015 0.000 2.400 1043 E HA 0.520 4.870 4.350 0.000 0.000 0.285 1043 E C -1.581 174.962 176.600 -0.095 0.000 1.005 1043 E CA -0.294 56.095 56.400 -0.019 0.000 0.816 1043 E CB 2.193 31.935 29.700 0.071 0.000 1.220 1043 E HN 0.270 nan 8.360 nan 0.000 0.426 1044 T N 2.555 116.990 114.554 -0.198 0.000 2.909 1044 T HA 0.560 4.910 4.350 0.000 0.000 0.299 1044 T C -1.393 173.005 174.700 -0.504 0.000 1.073 1044 T CA -0.642 61.247 62.100 -0.350 0.000 0.999 1044 T CB 1.781 70.515 68.868 -0.223 0.000 1.098 1044 T HN 0.475 nan 8.240 nan 0.000 0.477 1045 Q N 0.787 120.104 119.800 -0.806 0.000 2.438 1045 Q HA 0.554 4.894 4.340 0.000 0.000 0.272 1045 Q C -1.826 173.878 176.000 -0.493 0.000 0.994 1045 Q CA -0.583 54.824 55.803 -0.660 0.000 0.887 1045 Q CB 1.927 30.166 28.738 -0.832 0.000 1.432 1045 Q HN 0.657 nan 8.270 nan 0.000 0.392 1046 T N 3.627 118.051 114.554 -0.217 0.000 2.841 1046 T HA 0.814 5.164 4.350 0.000 0.000 0.283 1046 T C -1.156 173.562 174.700 0.031 0.000 1.000 1046 T CA -0.400 61.612 62.100 -0.146 0.000 0.977 1046 T CB 0.467 69.252 68.868 -0.138 0.000 0.979 1046 T HN 0.475 nan 8.240 nan 0.000 0.446 1047 F N -0.491 119.364 119.950 -0.158 0.000 2.745 1047 F HA 0.741 5.268 4.527 0.000 0.000 0.316 1047 F C -1.732 174.052 175.800 -0.028 0.000 1.155 1047 F CA -1.261 56.712 58.000 -0.046 0.000 0.937 1047 F CB 1.247 40.286 39.000 0.065 0.000 1.361 1047 F HN 0.330 nan 8.300 nan 0.000 0.472 1048 D N 1.383 121.865 120.400 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 -2.406 51.625 54.000 0.053 0.000 0.832 1048 D CB 2.291 43.143 40.800 0.088 0.000 1.101 1048 D HN 0.205 nan 8.370 nan 0.000 0.515 1049 P HA -0.117 nan 4.420 nan 0.000 0.220 1049 P C 0.904 178.330 177.300 0.211 0.000 1.144 1049 P CA 0.998 64.236 63.100 0.230 0.000 0.800 1049 P CB 0.313 32.022 31.700 0.015 0.000 0.772 1050 A N -0.729 122.201 122.820 0.183 0.000 2.015 1050 A HA -0.173 4.147 4.320 0.000 0.000 0.219 1050 A C 2.057 179.714 177.584 0.122 0.000 1.163 1050 A CA 1.582 53.709 52.037 0.149 0.000 0.646 1050 A CB -0.826 18.252 19.000 0.129 0.000 0.806 1050 A HN 0.163 nan 8.150 nan 0.000 0.448 1051 N N -1.414 117.368 118.700 0.137 0.000 2.387 1051 N HA 0.102 4.842 4.740 0.000 0.000 0.176 1051 N C 0.748 176.299 175.510 0.067 0.000 1.022 1051 N CA 0.576 53.686 53.050 0.100 0.000 0.883 1051 N CB 0.204 38.757 38.487 0.110 0.000 1.019 1051 N HN 0.558 nan 8.380 nan 0.000 0.435 1052 R N -0.744 119.820 120.500 0.107 0.000 2.664 1052 R HA 0.263 4.603 4.340 0.000 0.000 0.266 1052 R C -0.927 175.372 176.300 -0.001 0.000 1.046 1052 R CA -0.071 55.999 56.100 -0.049 0.000 0.885 1052 R CB 0.730 30.890 30.300 -0.234 0.000 1.254 1052 R HN 0.059 nan 8.270 nan 0.000 0.465 1053 S N 0.105 115.724 115.700 -0.134 0.000 2.800 1053 S HA 0.214 4.684 4.470 0.000 0.000 0.266 1053 S C -0.678 173.936 174.600 0.024 0.000 1.029 1053 S CA -0.319 57.932 58.200 0.085 0.000 1.302 1053 S CB 0.858 64.184 63.200 0.210 0.000 1.212 1053 S HN 0.146 nan 8.310 nan 0.000 0.683 1054 V N 2.882 122.579 119.914 -0.363 0.000 2.448 1054 V HA 0.678 4.798 4.120 0.000 0.000 0.295 1054 V C -1.342 174.365 176.094 -0.645 0.000 1.025 1054 V CA -0.422 61.699 62.300 -0.298 0.000 0.859 1054 V CB 0.996 32.685 31.823 -0.223 0.000 0.988 1054 V HN 0.426 nan 8.190 nan 0.000 0.431 1055 F N 2.144 122.021 119.950 -0.122 0.000 2.576 1055 F HA 0.509 5.036 4.527 0.000 0.000 0.313 1055 F C -0.072 175.646 175.800 -0.135 0.000 1.078 1055 F CA -0.845 57.084 58.000 -0.117 0.000 0.921 1055 F CB 1.965 40.910 39.000 -0.092 0.000 1.232 1055 F HN 0.381 nan 8.300 nan 0.000 0.459 1056 D N 2.584 123.019 120.400 0.059 0.000 2.453 1056 D HA 0.362 5.002 4.640 0.000 0.000 0.238 1056 D C -1.179 175.127 176.300 0.010 0.000 1.088 1056 D CA -0.086 53.904 54.000 -0.016 0.000 0.854 1056 D CB 1.653 42.419 40.800 -0.056 0.000 1.076 1056 D HN 0.219 nan 8.370 nan 0.000 0.533 1057 V N 3.364 123.258 119.914 -0.035 0.000 2.546 1057 V HA 0.277 4.397 4.120 0.000 0.000 0.284 1057 V C 0.685 176.741 176.094 -0.064 0.000 1.050 1057 V CA -0.228 62.056 62.300 -0.027 0.000 0.981 1057 V CB 1.683 33.460 31.823 -0.077 0.000 0.990 1057 V HN 0.531 nan 8.190 nan 0.000 0.474 1058 T N 7.270 121.810 114.554 -0.023 0.000 2.801 1058 T HA 0.385 4.735 4.350 0.000 0.000 0.306 1058 T C -2.333 172.372 174.700 0.009 0.000 1.020 1058 T CA -0.868 61.218 62.100 -0.022 0.000 0.948 1058 T CB 1.202 70.064 68.868 -0.010 0.000 0.962 1058 T HN 0.474 nan 8.240 nan 0.000 0.465 1059 P HA 0.386 nan 4.420 nan 0.000 0.273 1059 P C -0.712 176.646 177.300 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 32.359 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 0.012 177.572 177.584 -0.040 0.000 1.127 1060 A CA -0.474 51.561 52.037 -0.004 0.000 0.810 1060 A CB -0.378 18.586 19.000 -0.059 0.000 1.066 1060 A HN 0.572 nan 8.150 nan 0.000 0.492 1061 N N 0.917 119.594 118.700 -0.037 0.000 2.868 1061 N HA 0.362 5.102 4.740 0.000 0.000 0.252 1061 N C -1.166 174.296 175.510 -0.080 0.000 1.130 1061 N CA -0.029 53.001 53.050 -0.032 0.000 1.026 1061 N CB 0.937 39.425 38.487 0.000 0.000 1.335 1061 N HN 0.391 nan 8.380 nan 0.000 0.516 1062 V N 1.569 121.377 119.914 -0.176 0.000 2.733 1062 V HA 0.675 4.795 4.120 0.000 0.000 0.306 1062 V C 0.637 176.625 176.094 -0.175 0.000 1.084 1062 V CA 0.175 62.348 62.300 -0.211 0.000 0.905 1062 V CB 0.943 32.539 31.823 -0.379 0.000 1.010 1062 V HN 0.759 nan 8.190 nan 0.000 0.424 1063 G N 6.259 115.040 108.800 -0.032 0.000 2.594 1063 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 1063 G C -0.095 174.812 174.900 0.012 0.000 1.273 1063 G CA 0.545 45.655 45.100 0.017 0.000 0.974 1063 G HN 1.247 nan 8.290 nan 0.000 0.552 1064 I N 0.766 121.364 120.570 0.047 0.000 2.312 1064 I HA 0.373 4.543 4.170 0.000 0.000 0.290 1064 I C 0.391 176.549 176.117 0.067 0.000 1.008 1064 I CA -0.721 60.598 61.300 0.032 0.000 1.226 1064 I CB 1.568 39.573 38.000 0.008 0.000 1.371 1064 I HN 0.320 nan 8.210 nan 0.000 0.468 1065 V N 7.705 127.629 119.914 0.018 0.000 2.461 1065 V HA 0.182 4.302 4.120 0.000 0.000 0.275 1065 V C 0.924 176.958 176.094 -0.101 0.000 1.047 1065 V CA -0.280 61.993 62.300 -0.044 0.000 0.955 1065 V CB 1.114 32.865 31.823 -0.120 0.000 0.988 1065 V HN 0.753 nan 8.190 nan 0.000 0.471 1066 K N 2.925 123.266 120.400 -0.097 0.000 2.276 1066 K HA 0.458 4.778 4.320 0.000 0.000 0.198 1066 K C 0.807 177.315 176.600 -0.153 0.000 1.052 1066 K CA 0.720 56.989 56.287 -0.030 0.000 0.984 1066 K CB 0.770 33.337 32.500 0.112 0.000 0.836 1066 K HN 0.899 nan 8.250 nan 0.000 0.490 1067 G N 0.224 108.716 108.800 -0.513 0.000 2.320 1067 G HA2 0.388 4.348 3.960 0.000 0.000 0.296 1067 G HA3 0.388 4.348 3.960 0.000 0.000 0.296 1067 G C -1.975 172.058 174.900 -1.445 0.000 1.306 1067 G CA -0.996 43.437 45.100 -1.111 0.000 0.836 1067 G HN -0.002 nan 8.290 nan 0.000 0.517 1068 F N -0.456 118.892 119.950 -1.003 0.000 2.547 1068 F HA 0.643 5.170 4.527 0.000 0.000 0.316 1068 F C -0.223 175.440 175.800 -0.229 0.000 1.121 1068 F CA -0.808 56.949 58.000 -0.405 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 4.617 126.095 121.223 0.425 0.000 2.265 1069 L HA 0.698 5.038 4.340 0.000 0.000 0.289 1069 L C -1.034 176.174 176.870 0.564 0.000 1.033 1069 L CA -0.480 54.749 54.840 0.647 0.000 0.814 1069 L CB 1.075 43.567 42.059 0.721 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 0.401 4.521 4.120 0.000 0.000 0.280 1070 V C 0.041 176.330 176.094 0.325 0.000 1.021 1070 V CA -0.789 61.741 62.300 0.383 0.000 0.847 1070 V CB 1.184 33.165 31.823 0.263 0.000 0.990 1070 V HN 0.714 nan 8.190 nan 0.000 0.444 1071 K N 4.275 124.783 120.400 0.179 0.000 2.211 1071 K HA 0.704 5.024 4.320 0.000 0.000 0.275 1071 K C -1.389 175.209 176.600 -0.003 0.000 1.024 1071 K CA -0.388 55.749 56.287 -0.250 0.000 0.887 1071 K CB 1.596 33.958 32.500 -0.230 0.000 1.084 1071 K HN 0.504 nan 8.250 nan 0.000 0.463 1072 V N 3.523 123.420 119.914 -0.028 0.000 2.531 1072 V HA 0.360 4.480 4.120 0.000 0.000 0.301 1072 V C -0.381 175.744 176.094 0.052 0.000 1.034 1072 V CA -0.834 61.551 62.300 0.141 0.000 0.865 1072 V CB 1.674 33.707 31.823 0.350 0.000 0.995 1072 V HN 1.001 nan 8.190 nan 0.000 0.424 1073 T N 1.320 115.894 114.554 0.033 0.000 2.908 1073 T HA 0.957 5.307 4.350 0.000 0.000 0.290 1073 T C -0.491 174.226 174.700 0.028 0.000 1.034 1073 T CA -0.540 61.578 62.100 0.030 0.000 1.010 1073 T CB 2.271 71.143 68.868 0.008 0.000 1.068 1073 T HN 1.355 nan 8.240 nan 0.000 0.481 1074 A N 0.834 123.705 122.820 0.085 0.000 2.594 1074 A HA 0.909 5.229 4.320 0.000 0.000 0.295 1074 A C -0.952 176.724 177.584 0.152 0.000 1.071 1074 A CA -0.807 51.312 52.037 0.135 0.000 0.685 1074 A CB 1.271 20.456 19.000 0.308 0.000 1.285 1074 A HN 1.657 nan 8.150 nan 0.000 0.405 1075 A N 1.366 124.278 122.820 0.154 0.000 2.318 1075 A HA 0.765 5.085 4.320 0.000 0.000 0.317 1075 A C -0.831 176.819 177.584 0.110 0.000 1.159 1075 A CA -0.288 51.808 52.037 0.099 0.000 0.799 1075 A CB 0.368 19.396 19.000 0.047 0.000 1.194 1075 A HN 0.747 nan 8.150 nan 0.000 0.479 1076 I N 2.097 122.678 120.570 0.018 0.000 2.406 1076 I HA 0.339 4.509 4.170 0.000 0.000 0.290 1076 I C -0.261 175.759 176.117 -0.161 0.000 0.999 1076 I CA -0.227 61.008 61.300 -0.107 0.000 1.124 1076 I CB 2.409 40.324 38.000 -0.142 0.000 1.289 1076 I HN 0.559 nan 8.210 nan 0.000 0.441 1077 T N 4.460 118.902 114.554 -0.186 0.000 2.771 1077 T HA 0.214 4.564 4.350 0.000 0.000 0.281 1077 T C -0.052 174.492 174.700 -0.260 0.000 0.982 1077 T CA -0.536 61.457 62.100 -0.179 0.000 0.978 1077 T CB 0.797 69.598 68.868 -0.110 0.000 0.930 1077 T HN 0.383 nan 8.240 nan 0.000 0.447 1078 N N 2.961 121.521 118.700 -0.233 0.000 2.521 1078 N HA 0.072 4.812 4.740 0.000 0.000 0.236 1078 N C 0.653 176.084 175.510 -0.132 0.000 1.067 1078 N CA -0.244 52.669 53.050 -0.228 0.000 0.939 1078 N CB 0.188 38.553 38.487 -0.205 0.000 1.201 1078 N HN 0.665 nan 8.380 nan 0.000 0.511 1079 N N 2.273 120.898 118.700 -0.125 0.000 2.383 1079 N HA -0.109 4.631 4.740 0.000 0.000 0.192 1079 N C -0.192 175.286 175.510 -0.054 0.000 1.141 1079 N CA -0.204 52.796 53.050 -0.083 0.000 0.851 1079 N CB 0.103 38.537 38.487 -0.088 0.000 0.976 1079 N HN 0.566 nan 8.380 nan 0.000 0.465 1080 H N -0.310 118.693 119.070 -0.112 0.000 2.852 1080 H HA 0.167 4.723 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 0.741 56.739 56.048 -0.084 0.000 1.419 1080 H CB 1.343 31.054 29.762 -0.085 0.000 1.401 1080 H HN 0.177 nan 8.280 nan 0.000 0.609 1081 A N 2.402 125.016 122.820 -0.343 0.000 1.898 1081 A HA -0.111 4.209 4.320 0.000 0.000 0.216 1081 A C 1.879 179.492 177.584 0.048 0.000 1.181 1081 A CA 2.072 54.028 52.037 -0.135 0.000 0.620 1081 A CB -0.462 18.416 19.000 -0.204 0.000 0.819 1081 A HN 0.869 nan 8.150 nan 0.000 0.442 1082 T N -4.823 109.895 114.554 0.273 0.000 3.046 1082 T HA 0.206 4.556 4.350 0.000 0.000 0.270 1082 T C -0.076 174.701 174.700 0.129 0.000 0.920 1082 T CA -0.297 61.910 62.100 0.178 0.000 0.874 1082 T CB 0.206 69.141 68.868 0.111 0.000 1.214 1082 T HN 0.175 nan 8.240 nan 0.000 0.536 1083 E N 1.596 121.859 120.200 0.105 0.000 2.204 1083 E HA 0.756 5.106 4.350 0.000 0.000 0.276 1083 E C -0.254 176.234 176.600 -0.187 0.000 0.974 1083 E CA -0.451 55.818 56.400 -0.218 0.000 0.815 1083 E CB 2.018 31.365 29.700 -0.588 0.000 1.119 1083 E HN 0.516 nan 8.360 nan 0.000 0.393 1084 A N 1.906 124.652 122.820 -0.124 0.000 2.247 1084 A HA 0.729 5.049 4.320 0.000 0.000 0.313 1084 A C -0.117 177.413 177.584 -0.091 0.000 1.109 1084 A CA -0.543 51.437 52.037 -0.095 0.000 0.890 1084 A CB 0.786 19.755 19.000 -0.052 0.000 1.239 1084 A HN 0.399 nan 8.150 nan 0.000 0.506 1085 V N -4.077 115.801 119.914 -0.059 0.000 3.078 1085 V HA 0.950 5.070 4.120 0.000 0.000 0.311 1085 V C -0.244 175.933 176.094 0.138 0.000 1.138 1085 V CA -0.330 61.984 62.300 0.024 0.000 1.007 1085 V CB 1.125 32.964 31.823 0.027 0.000 1.045 1085 V HN 1.912 nan 8.190 nan 0.000 0.432 1086 A N 2.440 125.399 122.820 0.231 0.000 2.454 1086 A HA 0.852 5.172 4.320 0.000 0.000 0.302 1086 A C -0.562 177.153 177.584 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 1.105 nan 8.150 nan 0.000 0.413 1087 L N 1.879 123.120 121.223 0.030 0.000 2.543 1087 L HA 0.124 4.464 4.340 0.000 0.000 0.285 1087 L C 1.489 178.259 176.870 -0.167 0.000 1.236 1087 L CA 0.161 54.811 54.840 -0.317 0.000 0.871 1087 L CB 0.373 42.279 42.059 -0.255 0.000 1.121 1087 L HN 0.996 nan 8.230 nan 0.000 0.501 1088 T N -1.885 112.541 114.554 -0.212 0.000 2.770 1088 T HA 0.084 4.434 4.350 0.000 0.000 0.281 1088 T C 0.757 175.369 174.700 -0.147 0.000 0.981 1088 T CA -0.787 61.205 62.100 -0.179 0.000 0.955 1088 T CB 0.787 69.514 68.868 -0.235 0.000 1.060 1088 T HN 0.504 nan 8.240 nan 0.000 0.531 1089 D N -0.221 120.065 120.400 -0.190 0.000 2.178 1089 D HA -0.017 4.623 4.640 0.000 0.000 0.201 1089 D C 1.527 177.970 176.300 0.237 0.000 0.980 1089 D CA 1.064 55.044 54.000 -0.033 0.000 0.842 1089 D CB -0.227 40.506 40.800 -0.112 0.000 0.948 1089 D HN 0.472 nan 8.370 nan 0.000 0.472 1090 F N 0.190 120.066 119.950 -0.124 0.000 2.473 1090 F HA 0.244 4.771 4.527 0.000 0.000 0.294 1090 F C 2.187 177.933 175.800 -0.091 0.000 1.103 1090 F CA 0.414 58.377 58.000 -0.062 0.000 1.442 1090 F CB -0.951 37.980 39.000 -0.113 0.000 1.097 1090 F HN -0.027 nan 8.300 nan 0.000 0.547 1091 G N 2.678 111.495 108.800 0.029 0.000 2.672 1091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 1091 G C -1.117 173.755 174.900 -0.047 0.000 1.286 1091 G CA 0.559 45.596 45.100 -0.105 0.000 1.004 1091 G HN 0.209 nan 8.290 nan 0.000 0.548 1092 P HA 0.038 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 2.275 65.384 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 0.054 122.847 122.820 -0.046 0.000 2.172 1093 A HA -0.095 4.225 4.320 0.000 0.000 0.216 1093 A C 1.838 179.557 177.584 0.224 0.000 1.154 1093 A CA 0.997 53.001 52.037 -0.054 0.000 0.701 1093 A CB -0.972 17.887 19.000 -0.235 0.000 0.789 1093 A HN 0.126 nan 8.150 nan 0.000 0.465 1094 N N -0.386 118.444 118.700 0.217 0.000 2.268 1094 N HA 0.184 4.924 4.740 0.000 0.000 0.204 1094 N C 1.053 176.706 175.510 0.238 0.000 1.124 1094 N CA 0.076 53.277 53.050 0.251 0.000 0.838 1094 N CB 0.106 38.721 38.487 0.213 0.000 0.994 1094 N HN 0.467 nan 8.380 nan 0.000 0.489 1095 L N -0.252 121.146 121.223 0.291 0.000 2.201 1095 L HA -0.004 4.336 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 0.786 55.825 54.840 0.333 0.000 0.775 1095 L CB 0.226 42.505 42.059 0.365 0.000 0.913 1095 L HN -0.120 nan 8.230 nan 0.000 0.440 1096 V N -0.100 119.912 119.914 0.165 0.000 2.384 1096 V HA 0.130 4.250 4.120 0.000 0.000 0.287 1096 V C 0.532 176.531 176.094 -0.157 0.000 1.020 1096 V CA -0.549 61.615 62.300 -0.225 0.000 0.850 1096 V CB 1.710 33.083 31.823 -0.749 0.000 0.987 1096 V HN 0.162 nan 8.190 nan 0.000 0.436 1097 Q N 3.506 123.225 119.800 -0.136 0.000 2.123 1097 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 1097 Q C 0.469 176.375 176.000 -0.155 0.000 0.958 1097 Q CA 1.018 56.784 55.803 -0.062 0.000 0.841 1097 Q CB 0.464 29.199 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 -1.377 174.735 176.300 -0.314 0.000 1.010 1098 R CA -0.520 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 0.620 4.740 4.120 0.000 0.000 0.310 1099 V C -0.767 175.214 176.094 -0.189 0.000 1.090 1099 V CA -0.678 61.458 62.300 -0.273 0.000 0.930 1099 V CB 2.325 33.963 31.823 -0.310 0.000 1.014 1099 V HN 0.566 nan 8.190 nan 0.000 0.425 1100 I N 3.691 124.170 120.570 -0.152 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 -0.085 0.000 1.129 1100 I CA -0.706 60.515 61.300 -0.132 0.000 1.042 1100 I CB 2.377 40.309 38.000 -0.112 0.000 1.242 1100 I HN 0.688 nan 8.210 nan 0.000 0.421 1101 Y N 6.245 126.401 120.300 -0.241 0.000 2.376 1101 Y HA 0.593 5.143 4.550 0.000 0.000 0.340 1101 Y C -1.712 174.064 175.900 -0.207 0.000 0.965 1101 Y CA -0.698 57.296 58.100 -0.177 0.000 1.078 1101 Y CB 1.285 39.648 38.460 -0.162 0.000 1.193 1101 Y HN 0.361 nan 8.280 nan 0.000 0.452 1102 Y N 4.654 124.445 120.300 -0.848 0.000 2.364 1102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 1102 Y C -0.103 175.258 175.900 -0.897 0.000 0.975 1102 Y CA -1.031 56.728 58.100 -0.567 0.000 1.089 1102 Y CB 1.167 39.441 38.460 -0.311 0.000 1.192 1102 Y HN 0.716 nan 8.280 nan 0.000 0.454 1103 D N 2.691 122.944 120.400 -0.246 0.000 2.451 1103 D HA 0.236 4.876 4.640 0.000 0.000 0.259 1103 D C -2.207 174.093 176.300 0.001 0.000 1.201 1103 D CA -2.286 51.668 54.000 -0.077 0.000 1.028 1103 D CB 0.384 41.326 40.800 0.236 0.000 1.095 1103 D HN 0.169 nan 8.370 nan 0.000 0.539 1104 P HA -0.061 nan 4.420 nan 0.000 0.221 1104 P C -0.041 177.285 177.300 0.043 0.000 1.145 1104 P CA 1.013 64.135 63.100 0.037 0.000 0.795 1104 P CB 0.104 31.836 31.700 0.054 0.000 0.775 1105 D N -1.674 118.770 120.400 0.073 0.000 2.358 1105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 1105 D C 0.465 176.810 176.300 0.075 0.000 1.123 1105 D CA 0.050 54.092 54.000 0.070 0.000 0.833 1105 D CB -1.061 39.790 40.800 0.085 0.000 0.946 1105 D HN 0.208 nan 8.370 nan 0.000 0.505 1106 N N 0.637 119.382 118.700 0.076 0.000 2.800 1106 N HA -0.260 4.480 4.740 0.000 0.000 0.250 1106 N C -0.162 175.462 175.510 0.191 0.000 1.078 1106 N CA 0.189 53.303 53.050 0.106 0.000 0.804 1106 N CB -0.424 38.093 38.487 0.049 0.000 1.135 1106 N HN 0.157 nan 8.380 nan 0.000 0.565 1107 Q N 1.618 121.522 119.800 0.173 0.000 2.256 1107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 1107 Q C -0.517 175.574 176.000 0.153 0.000 0.916 1107 Q CA -0.243 55.646 55.803 0.144 0.000 0.932 1107 Q CB 0.878 29.678 28.738 0.104 0.000 1.207 1107 Q HN 0.182 nan 8.270 nan 0.000 0.426 1108 R N 2.947 123.449 120.500 0.003 0.000 2.441 1108 R HA 0.284 4.624 4.340 0.000 0.000 0.284 1108 R C 0.261 176.569 176.300 0.013 0.000 1.070 1108 R CA -0.143 55.860 56.100 -0.161 0.000 1.047 1108 R CB 0.689 30.776 30.300 -0.355 0.000 1.016 1108 R HN 0.821 nan 8.270 nan 0.000 0.477 1109 H N 0.196 119.229 119.070 -0.062 0.000 5.067 1109 H HA 0.148 4.704 4.556 0.000 0.000 0.118 1109 H C 0.076 175.324 175.328 -0.133 0.000 1.355 1109 H CA -0.367 55.660 56.048 -0.036 0.000 0.741 1109 H CB 0.278 30.088 29.762 0.081 0.000 1.615 1109 H HN 0.380 nan 8.280 nan 0.000 0.266 1110 T N 1.529 116.088 114.554 0.008 0.000 2.916 1110 T HA 0.090 4.440 4.350 0.000 0.000 0.303 1110 T C 0.110 174.745 174.700 -0.108 0.000 1.025 1110 T CA 0.460 62.486 62.100 -0.123 0.000 1.142 1110 T CB 0.323 69.081 68.868 -0.184 0.000 0.947 1110 T HN 0.394 nan 8.240 nan 0.000 0.544 1111 E N 2.201 122.341 120.200 -0.100 0.000 2.642 1111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 1111 E C -0.778 175.779 176.600 -0.071 0.000 1.039 1111 E CA -0.473 55.869 56.400 -0.096 0.000 0.777 1111 E CB 0.909 30.561 29.700 -0.080 0.000 1.473 1111 E HN 0.589 nan 8.360 nan 0.000 0.388 1112 T N 0.975 115.461 114.554 -0.114 0.000 2.671 1112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 1112 T C -0.910 173.657 174.700 -0.223 0.000 1.238 1112 T CA -0.194 61.834 62.100 -0.121 0.000 1.020 1112 T CB 1.050 69.917 68.868 -0.003 0.000 1.503 1112 T HN 0.419 nan 8.240 nan 0.000 0.497 1113 S N -0.048 115.447 115.700 -0.342 0.000 2.617 1113 S HA 0.489 4.959 4.470 0.000 0.000 0.269 1113 S C 1.620 175.956 174.600 -0.439 0.000 1.292 1113 S CA 0.053 57.975 58.200 -0.463 0.000 1.010 1113 S CB 0.860 63.543 63.200 -0.861 0.000 0.944 1113 S HN 1.071 nan 8.310 nan 0.000 0.536 1114 G N 1.078 109.678 108.800 -0.333 0.000 2.418 1114 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 1114 G C 1.322 176.212 174.900 -0.018 0.000 1.158 1114 G CA 0.752 45.708 45.100 -0.241 0.000 0.771 1114 G HN 0.960 nan 8.290 nan 0.000 0.545 1115 W N 0.195 121.451 121.300 -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 0.837 57.953 57.345 -0.381 0.000 1.271 1115 W CB -1.033 28.166 29.460 -0.436 0.000 1.126 1115 W HN 0.416 nan 8.180 nan 0.000 0.535 1116 H N 1.265 119.974 119.070 -0.602 0.000 2.357 1116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 1116 H C 2.351 177.573 175.328 -0.176 0.000 1.082 1116 H CA 1.785 57.612 56.048 -0.369 0.000 1.342 1116 H CB -0.123 29.256 29.762 -0.640 0.000 1.389 1116 H HN 0.118 nan 8.280 nan 0.000 0.511 1117 L N 1.059 122.061 121.223 -0.369 0.000 2.042 1117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 1117 L C 2.589 179.361 176.870 -0.163 0.000 1.076 1117 L CA 2.456 57.114 54.840 -0.304 0.000 0.749 1117 L CB -1.111 40.839 42.059 -0.183 0.000 0.893 1117 L HN 0.375 nan 8.230 nan 0.000 0.432 1118 H N -1.040 117.955 119.070 -0.124 0.000 2.353 1118 H HA -0.186 4.370 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 2.226 58.196 56.048 -0.131 0.000 1.327 1118 H CB -0.586 29.070 29.762 -0.176 0.000 1.383 1118 H HN 0.473 nan 8.280 nan 0.000 0.508 1119 F N -0.732 119.103 119.950 -0.192 0.000 2.216 1119 F HA -0.162 4.365 4.527 0.000 0.000 0.300 1119 F C 2.537 178.271 175.800 -0.110 0.000 1.085 1119 F CA 0.559 58.498 58.000 -0.103 0.000 1.326 1119 F CB -0.053 38.932 39.000 -0.023 0.000 1.027 1119 F HN 0.087 nan 8.300 nan 0.000 0.497 1120 V N 0.252 120.151 119.914 -0.024 0.000 2.427 1120 V HA -0.286 3.834 4.120 0.000 0.000 0.248 1120 V C 1.667 177.701 176.094 -0.101 0.000 1.051 1120 V CA 1.952 64.221 62.300 -0.052 0.000 1.048 1120 V CB -0.772 30.950 31.823 -0.169 0.000 0.666 1120 V HN 0.376 nan 8.190 nan 0.000 0.456 1121 N N -0.302 118.251 118.700 -0.245 0.000 2.104 1121 N HA -0.191 4.549 4.740 0.000 0.000 0.190 1121 N C 1.835 177.210 175.510 -0.226 0.000 1.024 1121 N CA 1.829 54.614 53.050 -0.442 0.000 0.853 1121 N CB -0.199 37.626 38.487 -1.103 0.000 1.008 1121 N HN 0.419 nan 8.380 nan 0.000 0.424 1122 T N 0.574 115.026 114.554 -0.170 0.000 2.708 1122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 1122 T C 2.058 176.718 174.700 -0.067 0.000 1.037 1122 T CA 1.191 63.260 62.100 -0.052 0.000 1.146 1122 T CB -0.335 68.476 68.868 -0.096 0.000 0.865 1122 T HN 0.331 nan 8.240 nan 0.000 0.435 1123 A N 1.898 124.686 122.820 -0.053 0.000 1.908 1123 A HA -0.154 4.166 4.320 0.000 0.000 0.218 1123 A C 2.277 179.844 177.584 -0.027 0.000 1.181 1123 A CA 1.398 53.367 52.037 -0.113 0.000 0.627 1123 A CB -0.333 18.561 19.000 -0.178 0.000 0.818 1123 A HN 0.290 nan 8.150 nan 0.000 0.445 1124 K N -0.633 119.758 120.400 -0.015 0.000 2.155 1124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 1124 K C 2.145 178.724 176.600 -0.035 0.000 1.052 1124 K CA 1.440 57.709 56.287 -0.031 0.000 0.948 1124 K CB -0.236 32.219 32.500 -0.075 0.000 0.728 1124 K HN 0.766 nan 8.250 nan 0.000 0.448 1125 Q N -0.062 119.735 119.800 -0.005 0.000 2.187 1125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 1125 Q C 0.651 176.634 176.000 -0.028 0.000 0.957 1125 Q CA 1.308 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 -0.619 108.156 108.800 -0.040 0.000 2.141 1126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 1126 G C -0.061 174.792 174.900 -0.079 0.000 0.984 1126 G CA 0.188 45.255 45.100 -0.055 0.000 0.660 1126 G HN 0.825 nan 8.290 nan 0.000 0.525 1127 A N -1.280 121.490 122.820 -0.083 0.000 2.586 1127 A HA 0.795 5.115 4.320 0.000 0.000 0.291 1127 A C -3.144 174.398 177.584 -0.069 0.000 1.062 1127 A CA -0.764 51.216 52.037 -0.095 0.000 0.666 1127 A CB 0.706 19.662 19.000 -0.074 0.000 1.281 1127 A HN 0.150 nan 8.150 nan 0.000 0.421 1128 P HA 0.119 nan 4.420 nan 0.000 0.258 1128 P C -0.350 177.009 177.300 0.100 0.000 1.172 1128 P CA 0.549 63.658 63.100 0.015 0.000 0.762 1128 P CB -0.158 31.552 31.700 0.018 0.000 0.764 1129 F N 5.762 125.713 119.950 0.002 0.000 2.604 1129 F HA -0.067 4.460 4.527 0.000 0.000 0.393 1129 F C 1.176 176.994 175.800 0.030 0.000 1.043 1129 F CA 0.380 58.392 58.000 0.019 0.000 1.227 1129 F CB -0.401 38.636 39.000 0.061 0.000 1.016 1129 F HN 0.274 nan 8.300 nan 0.000 0.556 1130 L N 3.582 124.434 121.223 -0.619 0.000 3.839 1130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 1130 L C 0.623 177.339 176.870 -0.258 0.000 1.195 1130 L CA 0.557 55.051 54.840 -0.576 0.000 0.946 1130 L CB -2.344 39.220 42.059 -0.825 0.000 1.891 1130 L HN 0.733 nan 8.230 nan 0.000 0.963 1131 S N -1.834 113.779 115.700 -0.145 0.000 2.645 1131 S HA 0.531 5.001 4.470 0.000 0.000 0.266 1131 S C 0.317 174.866 174.600 -0.085 0.000 1.258 1131 S CA -0.028 58.126 58.200 -0.076 0.000 0.990 1131 S CB 2.193 65.374 63.200 -0.031 0.000 0.967 1131 S HN 0.278 nan 8.310 nan 0.000 0.556 1132 S N 1.545 117.212 115.700 -0.056 0.000 2.498 1132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 1132 S C -0.357 174.220 174.600 -0.038 0.000 1.071 1132 S CA -0.836 57.336 58.200 -0.048 0.000 1.113 1132 S CB -0.045 63.139 63.200 -0.027 0.000 0.976 1132 S HN 0.786 nan 8.310 nan 0.000 0.462 1133 M N 5.980 125.550 119.600 -0.050 0.000 2.238 1133 M HA 0.382 4.862 4.480 0.000 0.000 0.347 1133 M C -1.088 175.191 176.300 -0.034 0.000 1.173 1133 M CA -0.228 55.044 55.300 -0.047 0.000 1.147 1133 M CB 0.637 33.199 32.600 -0.063 0.000 1.547 1133 M HN 0.423 nan 8.290 nan 0.000 0.455 1134 V N 4.654 124.553 119.914 -0.024 0.000 2.465 1134 V HA 0.503 4.623 4.120 0.000 0.000 0.279 1134 V C 0.425 176.508 176.094 -0.018 0.000 1.045 1134 V CA -0.242 62.050 62.300 -0.013 0.000 0.938 1134 V CB 1.073 32.893 31.823 -0.006 0.000 0.986 1134 V HN 1.023 nan 8.190 nan 0.000 0.467 1135 T N -0.234 114.313 114.554 -0.011 0.000 2.838 1135 T HA 0.346 4.696 4.350 0.000 0.000 0.292 1135 T C 0.259 174.961 174.700 0.004 0.000 1.113 1135 T CA -0.277 61.814 62.100 -0.015 0.000 1.008 1135 T CB 1.902 70.746 68.868 -0.040 0.000 1.259 1135 T HN 0.632 nan 8.240 nan 0.000 0.520 1136 D N -0.060 120.342 120.400 0.003 0.000 2.336 1136 D HA 0.073 4.713 4.640 0.000 0.000 0.229 1136 D C 0.658 176.975 176.300 0.028 0.000 1.061 1136 D CA -0.176 53.831 54.000 0.012 0.000 0.875 1136 D CB -0.381 40.423 40.800 0.006 0.000 0.904 1136 D HN 0.390 nan 8.370 nan 0.000 0.525 1137 S N 1.787 117.513 115.700 0.043 0.000 2.544 1137 S HA 0.079 4.549 4.470 0.000 0.000 0.290 1137 S C -1.048 173.605 174.600 0.088 0.000 1.276 1137 S CA -0.927 57.324 58.200 0.085 0.000 1.075 1137 S CB 0.995 64.294 63.200 0.165 0.000 0.849 1137 S HN 0.101 nan 8.310 nan 0.000 0.494 1138 P HA 0.067 nan 4.420 nan 0.000 0.225 1138 P C 0.116 177.431 177.300 0.026 0.000 1.156 1138 P CA 0.321 63.443 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 1.176 121.774 120.570 0.046 0.000 2.648 1139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 1139 I C 1.323 177.380 176.117 -0.100 0.000 1.153 1139 I CA 0.282 61.548 61.300 -0.055 0.000 1.426 1139 I CB 0.175 38.133 38.000 -0.071 0.000 1.381 1139 I HN -0.269 nan 8.210 nan 0.000 0.571 1140 K N 6.638 126.931 120.400 -0.178 0.000 3.233 1140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 1140 K C -0.705 175.804 176.600 -0.151 0.000 1.209 1140 K CA -0.005 56.208 56.287 -0.123 0.000 1.197 1140 K CB -0.567 31.881 32.500 -0.088 0.000 1.431 1140 K HN 0.388 nan 8.250 nan 0.000 0.326 1141 Y N 0.428 120.716 120.300 -0.019 0.000 2.296 1141 Y HA 0.303 4.853 4.550 0.000 0.000 0.343 1141 Y C 1.547 177.433 175.900 -0.023 0.000 1.292 1141 Y CA 0.575 58.660 58.100 -0.024 0.000 1.490 1141 Y CB 0.913 39.356 38.460 -0.028 0.000 1.359 1141 Y HN 0.447 nan 8.280 nan 0.000 0.599 1142 G N 0.160 109.053 108.800 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 -1.791 173.132 174.900 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 0.523 120.936 120.400 0.022 0.000 2.508 1143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 1143 D C 1.374 177.681 176.300 0.012 0.000 1.171 1143 D CA 0.094 54.101 54.000 0.012 0.000 1.006 1143 D CB 0.697 41.504 40.800 0.011 0.000 1.073 1143 D HN 0.244 nan 8.370 nan 0.000 0.513 1144 V N 2.841 122.761 119.914 0.009 0.000 2.575 1144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 1144 V C 1.879 177.976 176.094 0.006 0.000 1.045 1144 V CA 0.782 63.084 62.300 0.004 0.000 1.065 1144 V CB -0.123 31.698 31.823 -0.002 0.000 0.717 1144 V HN 0.555 nan 8.190 nan 0.000 0.467 1145 M N -0.412 119.190 119.600 0.003 0.000 2.371 1145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 1145 M C 0.369 176.683 176.300 0.024 0.000 1.103 1145 M CA 0.092 55.397 55.300 0.009 0.000 1.010 1145 M CB -0.651 31.945 32.600 -0.005 0.000 1.457 1145 M HN 0.387 nan 8.290 nan 0.000 0.486 1146 N N 1.149 119.862 118.700 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 0.263 53.336 53.050 0.038 0.000 0.759 1146 N CB -1.231 37.284 38.487 0.047 0.000 0.906 1146 N HN 0.156 nan 8.380 nan 0.000 0.541 1147 V N -0.198 119.736 119.914 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 1.557 63.887 62.300 0.050 0.000 1.027 1147 V CB 0.022 31.762 31.823 -0.137 0.000 0.646 1147 V HN 0.409 nan 8.190 nan 0.000 0.447 1148 I N 0.426 121.046 120.570 0.084 0.000 2.410 1148 I HA 0.485 4.655 4.170 0.000 0.000 0.286 1148 I C -1.140 175.014 176.117 0.062 0.000 1.009 1148 I CA -0.304 61.056 61.300 0.100 0.000 1.111 1148 I CB 1.758 39.798 38.000 0.066 0.000 1.262 1148 I HN 0.222 nan 8.210 nan 0.000 0.443 1149 D N 5.447 125.888 120.400 0.069 0.000 2.736 1149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 1149 D C -1.611 174.733 176.300 0.073 0.000 1.231 1149 D CA -0.303 53.734 54.000 0.062 0.000 0.818 1149 D CB 2.315 43.155 40.800 0.066 0.000 1.587 1149 D HN 0.680 nan 8.370 nan 0.000 0.463 1150 A N 2.626 125.491 122.820 0.075 0.000 2.555 1150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 1150 A C -2.847 174.815 177.584 0.130 0.000 1.060 1150 A CA -1.206 50.900 52.037 0.114 0.000 0.710 1150 A CB 1.158 20.208 19.000 0.084 0.000 1.282 1150 A HN 0.433 nan 8.150 nan 0.000 0.399 1151 P HA 0.340 nan 4.420 nan 0.000 0.268 1151 P C 1.073 178.504 177.300 0.218 0.000 1.204 1151 P CA 0.530 63.729 63.100 0.165 0.000 0.768 1151 P CB 1.120 32.904 31.700 0.139 0.000 0.842 1152 A N 3.026 125.929 122.820 0.138 0.000 1.978 1152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 1152 A C 1.006 178.708 177.584 0.196 0.000 1.170 1152 A CA 1.997 54.109 52.037 0.124 0.000 0.636 1152 A CB -0.905 18.139 19.000 0.073 0.000 0.810 1152 A HN 0.643 nan 8.150 nan 0.000 0.448 1153 T N -3.860 110.801 114.554 0.178 0.000 2.883 1153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 1153 T C -0.873 173.849 174.700 0.038 0.000 1.158 1153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 1153 T CB 1.493 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 1.734 122.248 120.570 -0.093 0.000 2.439 1154 I HA 0.572 4.742 4.170 0.000 0.000 0.283 1154 I C 0.614 176.651 176.117 -0.133 0.000 1.023 1154 I CA -1.105 60.086 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 1.033 nan 8.210 nan 0.000 0.445 1155 A N 4.729 127.500 122.820 -0.082 0.000 2.346 1155 A HA 0.705 5.025 4.320 0.000 0.000 0.252 1155 A C 0.641 178.185 177.584 -0.066 0.000 1.089 1155 A CA -0.272 51.729 52.037 -0.060 0.000 0.797 1155 A CB 0.442 19.421 19.000 -0.035 0.000 1.047 1155 A HN 0.837 nan 8.150 nan 0.000 0.494 1156 A N -0.034 122.762 122.820 -0.039 0.000 2.566 1156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 1156 A C 1.622 179.192 177.584 -0.025 0.000 1.056 1156 A CA 0.960 52.991 52.037 -0.011 0.000 0.757 1156 A CB -1.112 17.913 19.000 0.042 0.000 0.979 1156 A HN 2.751 nan 8.150 nan 0.000 0.508 1157 G N 0.881 109.658 108.800 -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 0.565 175.432 174.900 -0.055 0.000 0.982 1157 G CA 0.573 45.646 45.100 -0.044 0.000 0.632 1157 G HN 2.181 nan 8.290 nan 0.000 0.529 1158 A N -0.482 122.297 122.820 -0.068 0.000 2.264 1158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 1158 A C 0.258 177.787 177.584 -0.092 0.000 1.100 1158 A CA 0.684 52.679 52.037 -0.070 0.000 0.839 1158 A CB 1.052 20.013 19.000 -0.066 0.000 1.121 1158 A HN 0.709 nan 8.150 nan 0.000 0.496 1159 T N 0.535 115.046 114.554 -0.073 0.000 2.812 1159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 1159 T C 0.154 174.820 174.700 -0.057 0.000 0.990 1159 T CA 0.057 62.112 62.100 -0.074 0.000 0.960 1159 T CB 1.498 70.338 68.868 -0.047 0.000 0.948 1159 T HN 1.044 nan 8.240 nan 0.000 0.438 1160 G N 1.903 110.661 108.800 -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 -0.885 174.031 174.900 0.027 0.000 1.143 1160 G CA -0.576 44.510 45.100 -0.023 0.000 0.914 1160 G HN 0.497 nan 8.290 nan 0.000 0.480 1161 E N 0.622 120.854 120.200 0.053 0.000 2.158 1161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 1161 E C -0.913 175.748 176.600 0.100 0.000 0.911 1161 E CA -0.517 55.925 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 1.401 122.696 121.223 0.121 0.000 2.341 1162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 1162 L C 0.048 176.983 176.870 0.108 0.000 1.009 1162 L CA -0.469 54.450 54.840 0.133 0.000 0.819 1162 L CB 2.106 44.276 42.059 0.185 0.000 1.323 1162 L HN 0.329 nan 8.230 nan 0.000 0.425 1163 T N 2.232 116.844 114.554 0.097 0.000 2.921 1163 T HA 0.735 5.085 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 1.638 70.573 68.868 0.113 0.000 1.023 1163 T HN 0.438 nan 8.240 nan 0.000 0.447 1164 M N 3.175 122.788 119.600 0.022 0.000 2.501 1164 M HA 0.684 5.164 4.480 0.000 0.000 0.293 1164 M C -2.374 173.879 176.300 -0.078 0.000 1.192 1164 M CA -0.760 54.529 55.300 -0.017 0.000 0.886 1164 M CB 1.695 34.261 32.600 -0.056 0.000 1.710 1164 M HN 0.619 nan 8.290 nan 0.000 0.457 1165 Y N 2.716 122.984 120.300 -0.053 0.000 2.462 1165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 1165 Y C -1.529 174.415 175.900 0.073 0.000 0.976 1165 Y CA -0.329 57.852 58.100 0.136 0.000 1.044 1165 Y CB 2.063 40.657 38.460 0.224 0.000 1.230 1165 Y HN 0.623 nan 8.280 nan 0.000 0.455 1166 Y N 1.202 121.797 120.300 0.491 0.000 2.477 1166 Y HA 0.283 4.833 4.550 0.000 0.000 0.347 1166 Y C -1.022 175.096 175.900 0.363 0.000 0.981 1166 Y CA -1.553 56.729 58.100 0.303 0.000 1.033 1166 Y CB 2.037 40.562 38.460 0.108 0.000 1.245 1166 Y HN 0.644 nan 8.280 nan 0.000 0.455 1167 W N 5.007 126.391 121.300 0.140 0.000 2.361 1167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 1167 W C -1.904 174.640 176.519 0.041 0.000 1.041 1167 W CA -1.019 56.399 57.345 0.121 0.000 1.241 1167 W CB 1.450 30.940 29.460 0.051 0.000 1.279 1167 W HN 0.310 nan 8.180 nan 0.000 0.436 1168 V N 9.395 129.023 119.914 -0.477 0.000 2.334 1168 V HA 0.192 4.312 4.120 0.000 0.000 0.267 1168 V C -1.588 174.013 176.094 -0.822 0.000 1.040 1168 V CA -1.526 60.506 62.300 -0.447 0.000 0.866 1168 V CB 0.951 32.641 31.823 -0.221 0.000 1.019 1168 V HN 0.357 nan 8.190 nan 0.000 0.468 1169 P HA 0.394 nan 4.420 nan 0.000 0.286 1169 P C 0.033 177.230 177.300 -0.172 0.000 1.261 1169 P CA -0.313 62.622 63.100 -0.276 0.000 0.821 1169 P CB 2.533 34.393 31.700 0.267 0.000 1.013 1170 L N 1.306 122.469 121.223 -0.099 0.000 2.675 1170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 1170 L C 1.363 178.362 176.870 0.215 0.000 1.135 1170 L CA 0.100 54.901 54.840 -0.067 0.000 0.855 1170 L CB -0.779 41.105 42.059 -0.292 0.000 1.235 1170 L HN 0.326 nan 8.230 nan 0.000 0.499 1171 A N -0.907 122.008 122.820 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 0.254 0.000 1.075 1171 A CA 0.028 52.180 52.037 0.192 0.000 0.777 1171 A CB -0.016 19.060 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 1.279 177.132 175.900 -0.077 0.000 1.146 1172 Y CA 1.790 59.708 58.100 -0.304 0.000 1.164 1172 Y CB 0.020 38.324 38.460 -0.260 0.000 0.982 1172 Y HN 0.878 nan 8.280 nan 0.000 0.515 1173 S N -2.424 113.253 115.700 -0.037 0.000 2.790 1173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 1173 S C 0.351 174.934 174.600 -0.028 0.000 1.197 1173 S CA -0.621 57.514 58.200 -0.108 0.000 0.851 1173 S CB 1.081 64.202 63.200 -0.131 0.000 1.217 1173 S HN 0.082 nan 8.310 nan 0.000 0.526 1174 E N 1.101 121.255 120.200 -0.076 0.000 2.274 1174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 1174 E C 1.695 178.269 176.600 -0.044 0.000 0.996 1174 E CA 1.821 58.178 56.400 -0.072 0.000 0.840 1174 E CB -0.326 29.303 29.700 -0.119 0.000 0.772 1174 E HN 0.847 nan 8.360 nan 0.000 0.491 1175 T N -2.434 112.106 114.554 -0.024 0.000 2.985 1175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 1175 T C 0.446 175.154 174.700 0.014 0.000 1.021 1175 T CA -0.305 61.789 62.100 -0.011 0.000 0.957 1175 T CB 0.438 69.299 68.868 -0.013 0.000 1.047 1175 T HN -0.208 nan 8.240 nan 0.000 0.511 1176 D N 1.199 121.630 120.400 0.051 0.000 2.453 1176 D HA 0.310 4.950 4.640 0.000 0.000 0.238 1176 D C 0.625 176.963 176.300 0.062 0.000 1.088 1176 D CA -0.672 53.369 54.000 0.068 0.000 0.854 1176 D CB 1.015 41.919 40.800 0.173 0.000 1.076 1176 D HN 0.216 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 0.159 55.008 54.840 0.016 0.000 0.892 1177 L CB -0.345 41.715 42.059 0.001 0.000 1.039 1177 L HN 0.254 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 1.056 63.052 62.100 -0.174 0.000 1.162 1178 T CB 0.843 69.395 68.868 -0.527 0.000 0.947 1178 T HN 0.632 nan 8.240 nan 0.000 0.536 1179 G N 2.054 110.875 108.800 0.035 0.000 2.195 1179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 1179 G C 0.363 175.377 174.900 0.189 0.000 0.984 1179 G CA -0.030 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 -0.472 122.412 122.820 0.106 0.000 2.386 1180 A HA 0.648 4.968 4.320 0.000 0.000 0.246 1180 A C 0.405 178.031 177.584 0.070 0.000 1.089 1180 A CA 0.750 52.823 52.037 0.060 0.000 0.790 1180 A CB 0.870 19.892 19.000 0.037 0.000 1.042 1180 A HN 1.195 nan 8.150 nan 0.000 0.497 1181 V N 1.883 121.816 119.914 0.030 0.000 2.448 1181 V HA 0.288 4.408 4.120 0.000 0.000 0.295 1181 V C -0.472 175.653 176.094 0.052 0.000 1.025 1181 V CA -0.508 61.829 62.300 0.063 0.000 0.859 1181 V CB 1.338 33.197 31.823 0.059 0.000 0.988 1181 V HN 0.767 nan 8.190 nan 0.000 0.431 1182 L N 5.183 126.444 121.223 0.064 0.000 2.325 1182 L HA 0.589 4.929 4.340 0.000 0.000 0.284 1182 L C 0.867 177.772 176.870 0.058 0.000 1.089 1182 L CA 0.699 55.568 54.840 0.048 0.000 0.836 1182 L CB 0.992 43.084 42.059 0.055 0.000 1.184 1182 L HN 0.748 nan 8.230 nan 0.000 0.444 1183 A N 2.620 125.465 122.820 0.040 0.000 2.469 1183 A HA 0.245 4.565 4.320 0.000 0.000 0.245 1183 A C 1.550 179.150 177.584 0.028 0.000 1.221 1183 A CA 0.484 52.545 52.037 0.040 0.000 0.946 1183 A CB -0.806 18.215 19.000 0.034 0.000 1.049 1183 A HN 0.766 nan 8.150 nan 0.000 0.529 1184 N N 0.368 119.091 118.700 0.038 0.000 2.459 1184 N HA 0.341 5.081 4.740 0.000 0.000 0.181 1184 N C 1.299 176.856 175.510 0.079 0.000 1.046 1184 N CA 1.075 54.160 53.050 0.058 0.000 0.904 1184 N CB -0.909 37.636 38.487 0.097 0.000 0.964 1184 N HN 0.781 nan 8.380 nan 0.000 0.444 1185 V N 0.315 120.277 119.914 0.080 0.000 4.119 1185 V HA 0.230 4.350 4.120 0.000 0.000 0.286 1185 V C -1.142 174.984 176.094 0.053 0.000 0.996 1185 V CA -0.514 61.831 62.300 0.076 0.000 1.027 1185 V CB -1.133 30.734 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 0.738 178.054 177.300 0.025 0.000 1.209 1186 P CA 1.458 64.577 63.100 0.032 0.000 0.790 1186 P CB 0.079 31.796 31.700 0.029 0.000 0.834 1187 Q N 0.955 120.765 119.800 0.017 0.000 2.369 1187 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 1187 Q C 1.253 177.257 176.000 0.006 0.000 0.963 1187 Q CA 1.304 57.114 55.803 0.011 0.000 0.894 1187 Q CB -0.884 27.858 28.738 0.007 0.000 0.965 1187 Q HN 0.514 nan 8.270 nan 0.000 0.475 1188 S N 1.305 117.008 115.700 0.006 0.000 2.702 1188 S HA 0.110 4.580 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 0.182 58.381 58.200 -0.003 0.000 1.058 1188 S CB 0.004 63.206 63.200 0.002 0.000 0.783 1188 S HN 0.722 nan 8.310 nan 0.000 0.503 1189 K N 4.346 124.733 120.400 -0.021 0.000 2.202 1189 K HA 0.280 4.600 4.320 0.000 0.000 0.264 1189 K C -0.068 176.505 176.600 -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 1.085 120.863 119.800 -0.035 0.000 2.212 1190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 1190 Q C -0.773 175.145 176.000 -0.137 0.000 0.955 1190 Q CA -0.725 55.025 55.803 -0.088 0.000 0.906 1190 Q CB 1.529 30.297 28.738 0.049 0.000 1.215 1190 Q HN 0.461 nan 8.270 nan 0.000 0.478 1191 R N 1.218 121.571 120.500 -0.246 0.000 2.483 1191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 1191 R C -1.627 174.557 176.300 -0.193 0.000 0.987 1191 R CA -0.737 55.258 56.100 -0.176 0.000 0.881 1191 R CB 1.191 31.403 30.300 -0.147 0.000 1.177 1191 R HN 0.330 nan 8.270 nan 0.000 0.451 1192 L N 3.790 124.909 121.223 -0.173 0.000 2.301 1192 L HA 0.390 4.730 4.340 0.000 0.000 0.278 1192 L C -0.865 175.906 176.870 -0.165 0.000 1.022 1192 L CA -0.255 54.469 54.840 -0.193 0.000 0.854 1192 L CB 0.810 42.606 42.059 -0.438 0.000 1.226 1192 L HN 0.398 nan 8.230 nan 0.000 0.429 1193 K N 6.145 126.477 120.400 -0.114 0.000 2.201 1193 K HA 0.598 4.918 4.320 0.000 0.000 0.278 1193 K C -1.220 175.258 176.600 -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 0.542 nan 8.250 nan 0.000 0.465 1194 L N 2.472 123.548 121.223 -0.244 0.000 2.381 1194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 1194 L C -0.433 176.201 176.870 -0.393 0.000 0.988 1194 L CA -0.621 53.955 54.840 -0.439 0.000 0.824 1194 L CB 1.935 43.594 42.059 -0.666 0.000 1.263 1194 L HN 0.649 nan 8.230 nan 0.000 0.410 1195 E N 3.210 123.158 120.200 -0.420 0.000 2.129 1195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 1195 E C -1.299 175.122 176.600 -0.298 0.000 0.900 1195 E CA -0.609 55.650 56.400 -0.236 0.000 0.755 1195 E CB 1.030 30.646 29.700 -0.140 0.000 1.117 1195 E HN 0.299 nan 8.360 nan 0.000 0.410 1196 F N 1.900 121.863 119.950 0.021 0.000 2.370 1196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 1196 F C 1.075 176.903 175.800 0.046 0.000 1.129 1196 F CA -0.546 57.492 58.000 0.063 0.000 1.109 1196 F CB 0.833 39.964 39.000 0.219 0.000 1.262 1196 F HN 0.507 nan 8.300 nan 0.000 0.534 1197 A N 1.648 124.614 122.820 0.243 0.000 2.448 1197 A HA 0.397 4.718 4.320 0.000 0.000 0.239 1197 A C -0.262 177.380 177.584 0.097 0.000 1.080 1197 A CA -0.169 51.969 52.037 0.169 0.000 0.779 1197 A CB -0.195 18.954 19.000 0.249 0.000 1.026 1197 A HN 0.892 nan 8.150 nan 0.000 0.499 1198 N N -0.709 118.104 118.700 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 -0.823 52.365 53.050 0.231 0.000 0.785 1198 N CB 0.352 38.948 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 -0.029 175.692 175.510 0.352 0.000 1.068 1199 N CA 0.668 54.020 53.050 0.504 0.000 0.911 1199 N CB -0.535 38.202 38.487 0.417 0.000 0.961 1199 N HN 0.580 nan 8.380 nan 0.000 0.446 1200 N N -1.032 117.806 118.700 0.229 0.000 2.388 1200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 1200 N C 1.501 177.081 175.510 0.117 0.000 1.062 1200 N CA 0.798 53.948 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 -2.853 111.754 114.554 0.088 0.000 3.000 1201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 1201 T C 1.847 176.512 174.700 -0.058 0.000 1.034 1201 T CA 0.158 62.285 62.100 0.045 0.000 1.060 1201 T CB 0.100 69.014 68.868 0.077 0.000 0.983 1201 T HN 0.039 nan 8.240 nan 0.000 0.482 1202 A N 0.801 123.475 122.820 -0.243 0.000 2.066 1202 A HA 0.412 4.732 4.320 0.000 0.000 0.218 1202 A C 0.286 177.365 177.584 -0.842 0.000 1.157 1202 A CA 0.169 51.828 52.037 -0.631 0.000 0.670 1202 A CB -0.623 17.775 19.000 -1.002 0.000 0.804 1202 A HN 0.599 nan 8.150 nan 0.000 0.453 1203 F N -0.844 119.164 119.950 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 -0.811 57.231 58.000 0.069 0.000 0.948 1203 F CB 1.748 40.767 39.000 0.032 0.000 1.154 1203 F HN 0.050 nan 8.300 nan 0.000 0.439 1204 A N 2.207 125.139 122.820 0.186 0.000 2.304 1204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 1204 A C -0.216 177.426 177.584 0.096 0.000 1.195 1204 A CA -0.633 51.470 52.037 0.109 0.000 0.826 1204 A CB 0.681 19.713 19.000 0.054 0.000 1.184 1204 A HN 0.942 nan 8.150 nan 0.000 0.496 1205 A N 1.796 124.661 122.820 0.076 0.000 2.366 1205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 1205 A C 0.430 178.033 177.584 0.032 0.000 1.084 1205 A CA -0.295 51.771 52.037 0.049 0.000 0.794 1205 A CB -0.007 19.020 19.000 0.045 0.000 1.034 1205 A HN 1.214 nan 8.150 nan 0.000 0.491 1206 V N 1.375 121.298 119.914 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 0.014 31.836 31.823 -0.002 0.000 0.916 1206 V HN 1.981 nan 8.190 nan 0.000 0.490 1207 G N 3.134 111.939 108.800 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 0.384 175.290 174.900 0.010 0.000 0.988 1207 G CA 0.287 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 -0.230 122.601 122.820 0.019 0.000 2.264 1208 A HA 0.673 4.993 4.320 0.000 0.000 0.304 1208 A C 0.472 178.074 177.584 0.029 0.000 1.100 1208 A CA 0.023 52.076 52.037 0.026 0.000 0.839 1208 A CB 0.450 19.472 19.000 0.037 0.000 1.121 1208 A HN 0.492 nan 8.150 nan 0.000 0.496 1209 N N 1.161 119.883 118.700 0.036 0.000 2.452 1209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 1209 N C -1.774 173.759 175.510 0.040 0.000 1.209 1209 N CA -1.284 51.803 53.050 0.061 0.000 0.929 1209 N CB 1.008 39.535 38.487 0.065 0.000 1.063 1209 N HN 0.351 nan 8.380 nan 0.000 0.472 1210 P HA 0.000 nan 4.420 nan 0.000 0.261 1210 P C 1.506 178.636 177.300 -0.282 0.000 1.268 1210 P CA -0.134 62.899 63.100 -0.111 0.000 0.833 1210 P CB 0.472 32.087 31.700 -0.142 0.000 1.231 1211 L N 1.556 122.630 121.223 -0.248 0.000 2.010 1211 L HA -0.187 4.153 4.340 0.000 0.000 0.219 1211 L C 1.737 178.403 176.870 -0.339 0.000 1.077 1211 L CA 2.207 56.770 54.840 -0.460 0.000 0.773 1211 L CB -0.887 41.145 42.059 -0.046 0.000 0.892 1211 L HN -0.120 nan 8.230 nan 0.000 0.436 1212 E N -0.004 120.158 120.200 -0.064 0.000 2.474 1212 E HA 0.287 4.637 4.350 0.000 0.000 0.195 1212 E C 0.686 177.308 176.600 0.036 0.000 1.039 1212 E CA 0.574 57.020 56.400 0.077 0.000 0.881 1212 E CB -0.065 29.719 29.700 0.139 0.000 0.970 1212 E HN 0.577 nan 8.360 nan 0.000 0.486 1213 A N 0.748 123.538 122.820 -0.050 0.000 2.271 1213 A HA 0.507 4.827 4.320 0.000 0.000 0.288 1213 A C 1.106 178.645 177.584 -0.077 0.000 1.094 1213 A CA -0.445 51.556 52.037 -0.059 0.000 0.828 1213 A CB 0.531 19.502 19.000 -0.048 0.000 1.091 1213 A HN 0.047 nan 8.150 nan 0.000 0.493 1214 I N -1.574 118.942 120.570 -0.090 0.000 3.039 1214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 1214 I C -0.354 175.578 176.117 -0.309 0.000 1.150 1214 I CA 0.655 61.870 61.300 -0.142 0.000 1.448 1214 I CB -0.010 37.967 38.000 -0.038 0.000 1.197 1214 I HN 0.585 nan 8.210 nan 0.000 0.450 1215 Y N 0.349 120.670 120.300 0.035 0.000 2.499 1215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 1215 Y C -0.237 175.717 175.900 0.091 0.000 0.987 1215 Y CA -0.736 57.419 58.100 0.092 0.000 1.044 1215 Y CB 1.765 40.332 38.460 0.179 0.000 1.245 1215 Y HN -0.062 nan 8.280 nan 0.000 0.461 1216 Q N 1.303 121.227 119.800 0.206 0.000 2.389 1216 Q HA 0.771 5.111 4.340 0.000 0.000 0.277 1216 Q C -0.980 175.077 176.000 0.094 0.000 1.082 1216 Q CA -0.641 55.234 55.803 0.120 0.000 0.810 1216 Q CB 2.693 31.457 28.738 0.044 0.000 1.374 1216 Q HN 0.969 nan 8.270 nan 0.000 0.422 1217 G N 0.340 109.171 108.800 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 0.739 nan 8.290 nan 0.000 0.599 1218 A N -0.838 121.926 122.820 -0.093 0.000 2.024 1218 A HA 0.291 4.611 4.320 0.000 0.000 0.220 1218 A C 2.278 179.671 177.584 -0.319 0.000 1.164 1218 A CA 2.803 54.744 52.037 -0.160 0.000 0.643 1218 A CB -0.492 18.410 19.000 -0.163 0.000 0.806 1218 A HN 2.033 nan 8.150 nan 0.000 0.451 1219 G N -1.701 106.885 108.800 -0.356 0.000 3.189 1219 G HA2 0.350 4.310 3.960 0.000 0.000 0.225 1219 G HA3 0.350 4.310 3.960 0.000 0.000 0.225 1219 G C 1.262 176.069 174.900 -0.156 0.000 1.159 1219 G CA 0.863 45.687 45.100 -0.461 0.000 0.763 1219 G HN 0.625 nan 8.290 nan 0.000 0.549 1220 A N 1.448 124.215 122.820 -0.088 0.000 1.892 1220 A HA 0.104 4.424 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 2.230 54.257 52.037 -0.017 0.000 0.631 1220 A CB -0.733 18.319 19.000 0.088 0.000 0.822 1220 A HN 0.805 nan 8.150 nan 0.000 0.447 1221 A N -0.637 122.201 122.820 0.030 0.000 2.032 1221 A HA -0.175 4.145 4.320 0.000 0.000 0.221 1221 A C 1.345 178.935 177.584 0.011 0.000 1.165 1221 A CA 1.810 53.877 52.037 0.050 0.000 0.645 1221 A CB -0.359 18.683 19.000 0.071 0.000 0.807 1221 A HN 0.489 nan 8.150 nan 0.000 0.453 1222 D N -1.241 119.158 120.400 -0.002 0.000 2.424 1222 D HA 0.199 4.839 4.640 0.000 0.000 0.220 1222 D C -0.359 175.824 176.300 -0.194 0.000 1.150 1222 D CA -0.042 53.926 54.000 -0.052 0.000 0.831 1222 D CB -0.097 40.711 40.800 0.013 0.000 0.981 1222 D HN 0.291 nan 8.370 nan 0.000 0.500 1223 C N 1.539 120.600 119.300 -0.399 0.000 2.398 1223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 1223 C C 0.527 175.007 174.990 -0.851 0.000 1.219 1223 C CA -0.508 58.032 59.018 -0.797 0.000 2.312 1223 C CB 0.881 27.764 27.740 -1.429 0.000 2.428 1223 C HN 0.399 nan 8.230 nan 0.000 0.564 1224 E N 0.606 120.399 120.200 -0.678 0.000 2.407 1224 E HA 0.457 4.807 4.350 0.000 0.000 0.279 1224 E C -1.734 174.818 176.600 -0.080 0.000 1.012 1224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 1224 E CB 0.625 30.301 29.700 -0.039 0.000 1.276 1224 E HN 0.401 nan 8.360 nan 0.000 0.452 1225 F N 1.458 121.527 119.950 0.197 0.000 2.427 1225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 1225 F C 1.780 177.602 175.800 0.036 0.000 1.100 1225 F CA 0.044 58.127 58.000 0.139 0.000 1.191 1225 F CB 1.445 40.517 39.000 0.121 0.000 1.128 1225 F HN 0.764 nan 8.300 nan 0.000 0.533 1226 E N 2.420 122.730 120.200 0.183 0.000 2.076 1226 E HA -0.047 4.303 4.350 0.000 0.000 0.190 1226 E C -0.241 176.395 176.600 0.061 0.000 0.979 1226 E CA 0.889 57.339 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 -1.012 119.223 120.200 0.059 0.000 2.398 1227 E HA 0.351 4.700 4.350 0.000 0.000 0.280 1227 E C -1.305 175.161 176.600 -0.223 0.000 1.122 1227 E CA -0.688 55.640 56.400 -0.120 0.000 0.873 1227 E CB 0.542 30.162 29.700 -0.132 0.000 1.294 1227 E HN 0.044 nan 8.360 nan 0.000 0.435 1228 I N 0.957 121.159 120.570 -0.612 0.000 2.647 1228 I HA 0.566 4.736 4.170 0.000 0.000 0.295 1228 I C -0.896 174.795 176.117 -0.711 0.000 1.078 1228 I CA -0.945 59.930 61.300 -0.709 0.000 1.048 1228 I CB 2.217 39.531 38.000 -1.143 0.000 1.239 1228 I HN 0.562 nan 8.210 nan 0.000 0.421 1229 S N 4.164 119.643 115.700 -0.369 0.000 2.549 1229 S HA 0.781 5.251 4.470 0.000 0.000 0.280 1229 S C -1.592 172.947 174.600 -0.103 0.000 1.109 1229 S CA -0.435 57.609 58.200 -0.260 0.000 0.905 1229 S CB 1.447 64.534 63.200 -0.188 0.000 1.081 1229 S HN 0.483 nan 8.310 nan 0.000 0.477 1230 Y N -0.176 120.040 120.300 -0.140 0.000 2.562 1230 Y HA 0.829 5.379 4.550 0.000 0.000 0.345 1230 Y C -0.868 175.006 175.900 -0.044 0.000 1.045 1230 Y CA -0.840 57.237 58.100 -0.038 0.000 1.028 1230 Y CB 1.413 39.919 38.460 0.077 0.000 1.297 1230 Y HN 0.436 nan 8.280 nan 0.000 0.463 1231 T N 2.886 117.553 114.554 0.189 0.000 2.928 1231 T HA 0.536 4.886 4.350 0.000 0.000 0.296 1231 T C -1.451 173.333 174.700 0.140 0.000 1.000 1231 T CA -0.653 61.470 62.100 0.038 0.000 0.989 1231 T CB 1.524 70.356 68.868 -0.060 0.000 1.005 1231 T HN 0.625 nan 8.240 nan 0.000 0.442 1232 V N 4.067 124.037 119.914 0.093 0.000 2.398 1232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 1232 V C -1.146 174.982 176.094 0.055 0.000 1.026 1232 V CA -0.767 61.630 62.300 0.161 0.000 0.868 1232 V CB 0.906 32.825 31.823 0.160 0.000 0.982 1232 V HN 0.818 nan 8.190 nan 0.000 0.443 1233 Y N 2.980 123.462 120.300 0.303 0.000 2.352 1233 Y HA 0.499 5.049 4.550 0.000 0.000 0.339 1233 Y C 0.298 176.395 175.900 0.329 0.000 0.992 1233 Y CA -0.329 57.947 58.100 0.292 0.000 1.100 1233 Y CB 1.728 40.358 38.460 0.282 0.000 1.192 1233 Y HN 0.566 nan 8.280 nan 0.000 0.458 1234 Q N 2.166 122.233 119.800 0.445 0.000 2.271 1234 Q HA 0.443 4.783 4.340 0.000 0.000 0.258 1234 Q C -0.885 175.283 176.000 0.279 0.000 0.936 1234 Q CA -0.573 55.409 55.803 0.298 0.000 0.909 1234 Q CB 1.326 30.267 28.738 0.340 0.000 1.253 1234 Q HN 0.653 nan 8.270 nan 0.000 0.440 1235 S N 4.382 120.151 115.700 0.114 0.000 2.433 1235 S HA 0.621 5.091 4.470 0.000 0.000 0.310 1235 S C -1.370 173.312 174.600 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 0.726 5.276 4.550 0.000 0.000 0.333 1236 Y C -1.811 174.087 175.900 -0.004 0.000 1.190 1236 Y CA -1.584 56.502 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 2.403 123.706 121.223 0.132 0.000 2.313 1237 L HA 0.478 4.818 4.340 0.000 0.000 0.283 1237 L C -0.852 176.114 176.870 0.160 0.000 1.013 1237 L CA -0.568 54.295 54.840 0.038 0.000 0.816 1237 L CB 1.433 43.497 42.059 0.008 0.000 1.236 1237 L HN 0.688 nan 8.230 nan 0.000 0.419 1238 D N 1.806 122.279 120.400 0.122 0.000 2.449 1238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 1238 D C -0.341 176.021 176.300 0.103 0.000 1.050 1238 D CA -0.018 54.089 54.000 0.179 0.000 1.024 1238 D CB 1.429 42.372 40.800 0.237 0.000 1.218 1238 D HN 0.362 nan 8.370 nan 0.000 0.566 1239 Q N 0.164 120.017 119.800 0.089 0.000 2.463 1239 Q HA -0.172 4.168 4.340 0.000 0.000 0.299 1239 Q C -0.481 175.536 176.000 0.028 0.000 1.353 1239 Q CA 0.364 56.209 55.803 0.070 0.000 0.828 1239 Q CB -1.840 26.948 28.738 0.083 0.000 1.157 1239 Q HN 0.471 nan 8.270 nan 0.000 0.436 1240 L N 2.005 123.197 121.223 -0.052 0.000 2.490 1240 L HA 0.119 4.459 4.340 0.000 0.000 0.274 1240 L C -1.054 175.790 176.870 -0.043 0.000 1.201 1240 L CA -1.092 53.656 54.840 -0.153 0.000 0.869 1240 L CB -0.206 41.554 42.059 -0.498 0.000 1.123 1240 L HN 0.010 nan 8.230 nan 0.000 0.484 1241 P HA 0.139 nan 4.420 nan 0.000 0.271 1241 P C -0.824 176.570 177.300 0.158 0.000 1.216 1241 P CA -0.178 62.963 63.100 0.069 0.000 0.771 1241 P CB 1.387 33.112 31.700 0.041 0.000 0.864 1242 V N 2.432 122.450 119.914 0.174 0.000 2.667 1242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 1242 V C 0.901 177.055 176.094 0.101 0.000 1.048 1242 V CA -0.153 62.262 62.300 0.192 0.000 0.928 1242 V CB 1.710 33.629 31.823 0.160 0.000 1.004 1242 V HN 0.903 nan 8.190 nan 0.000 0.444 1243 G N 1.172 110.020 108.800 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 -1.447 118.366 119.800 0.022 0.000 1.921 1244 Q HA -0.169 4.171 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 2.963 58.773 55.803 0.012 0.000 0.857 1244 Q CB -1.987 26.757 28.738 0.011 0.000 0.925 1244 Q HN 1.336 nan 8.270 nan 0.000 0.421 1245 N N -0.094 118.612 118.700 0.010 0.000 2.519 1245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 1245 N C 1.465 176.971 175.510 -0.007 0.000 1.062 1245 N CA 1.779 54.831 53.050 0.003 0.000 0.910 1245 N CB -0.135 38.359 38.487 0.012 0.000 0.958 1245 N HN 1.580 nan 8.380 nan 0.000 0.445 1246 G N -1.872 106.928 108.800 0.001 0.000 2.250 1246 G HA2 0.019 3.979 3.960 0.000 0.000 0.196 1246 G HA3 0.019 3.979 3.960 0.000 0.000 0.196 1246 G C -0.807 174.139 174.900 0.077 0.000 1.308 1246 G CA -0.415 44.667 45.100 -0.029 0.000 1.207 1246 G HN 0.454 nan 8.290 nan 0.000 0.505 1247 Y N 0.916 121.227 120.300 0.018 0.000 2.805 1247 Y HA 0.223 4.773 4.550 0.000 0.000 0.331 1247 Y C 1.340 177.251 175.900 0.018 0.000 1.241 1247 Y CA -0.088 58.025 58.100 0.021 0.000 1.546 1247 Y CB 0.199 38.673 38.460 0.024 0.000 1.248 1247 Y HN 0.238 nan 8.280 nan 0.000 0.559 1248 I N 6.723 127.404 120.570 0.184 0.000 2.308 1248 I HA 0.123 4.293 4.170 0.000 0.000 0.293 1248 I C -0.475 175.676 176.117 0.057 0.000 1.078 1248 I CA 0.264 61.619 61.300 0.092 0.000 1.292 1248 I CB 0.057 38.094 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 -2.420 174.460 176.870 0.017 0.000 0.991 1249 L CA -1.877 52.980 54.840 0.028 0.000 0.818 1249 L CB 2.528 44.614 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 0.649 177.945 177.300 -0.007 0.000 1.428 1250 P CA -0.231 62.864 63.100 -0.009 0.000 0.995 1250 P CB 0.649 32.337 31.700 -0.020 0.000 1.286 1251 L N 2.678 123.900 121.223 -0.001 0.000 2.131 1251 L HA -0.156 4.184 4.340 0.000 0.000 0.210 1251 L C 2.371 179.234 176.870 -0.012 0.000 1.092 1251 L CA 1.307 56.149 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 -0.423 120.129 120.570 -0.031 0.000 2.233 1252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 1252 I C 2.110 178.181 176.117 -0.076 0.000 1.093 1252 I CA 1.012 62.279 61.300 -0.055 0.000 1.380 1252 I CB -0.419 37.538 38.000 -0.072 0.000 1.067 1252 I HN 0.200 nan 8.210 nan 0.000 0.413 1253 D N 1.333 121.686 120.400 -0.077 0.000 2.106 1253 D HA -0.175 4.465 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 1.472 55.420 54.000 -0.087 0.000 0.834 1253 D CB -0.394 40.370 40.800 -0.060 0.000 0.956 1253 D HN 0.277 nan 8.370 nan 0.000 0.448 1254 L N 0.406 121.624 121.223 -0.008 0.000 2.465 1254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 1254 L C 1.708 178.601 176.870 0.038 0.000 1.145 1254 L CA 0.740 55.596 54.840 0.028 0.000 0.834 1254 L CB -0.241 41.839 42.059 0.033 0.000 0.944 1254 L HN 0.034 nan 8.230 nan 0.000 0.451 1255 S N -3.016 112.690 115.700 0.011 0.000 2.568 1255 S HA 0.153 4.623 4.470 0.000 0.000 0.232 1255 S C 0.562 175.159 174.600 -0.006 0.000 0.975 1255 S CA -0.537 57.671 58.200 0.014 0.000 0.949 1255 S CB 0.081 63.286 63.200 0.008 0.000 0.829 1255 S HN 0.111 nan 8.310 nan 0.000 0.479 1256 T N 2.750 117.289 114.554 -0.026 0.000 2.855 1256 T HA 0.602 4.952 4.350 0.000 0.000 0.281 1256 T C -0.604 174.090 174.700 -0.010 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 0.241 nan 8.240 nan 0.000 0.455 1257 L N 2.951 124.168 121.223 -0.009 0.000 2.295 1257 L HA 0.505 4.845 4.340 0.000 0.000 0.285 1257 L C -1.024 175.934 176.870 0.147 0.000 1.035 1257 L CA -1.129 53.687 54.840 -0.040 0.000 0.806 1257 L CB 0.868 42.785 42.059 -0.238 0.000 1.214 1257 L HN 0.627 nan 8.230 nan 0.000 0.426 1258 Y N 4.071 124.425 120.300 0.090 0.000 2.388 1258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 1258 Y C -0.928 174.926 175.900 -0.077 0.000 0.963 1258 Y CA -1.139 57.061 58.100 0.168 0.000 1.240 1258 Y CB 0.650 39.341 38.460 0.385 0.000 1.118 1258 Y HN 0.531 nan 8.280 nan 0.000 0.484 1259 N N 5.858 124.112 118.700 -0.744 0.000 2.312 1259 N HA 0.572 5.312 4.740 0.000 0.000 0.296 1259 N C -1.520 173.474 175.510 -0.861 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 -0.823 0.000 1.435 1259 N HN 0.567 nan 8.380 nan 0.000 0.484 1260 L N 0.492 121.419 121.223 -0.493 0.000 2.346 1260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 1260 L C 0.018 176.883 176.870 -0.008 0.000 1.006 1260 L CA -0.545 54.181 54.840 -0.189 0.000 0.817 1260 L CB 1.710 43.645 42.059 -0.207 0.000 1.272 1260 L HN 0.379 nan 8.230 nan 0.000 0.421 1261 E N 2.080 122.412 120.200 0.221 0.000 2.390 1261 E HA 0.342 4.692 4.350 0.000 0.000 0.277 1261 E C -1.507 175.192 176.600 0.165 0.000 0.939 1261 E CA -0.819 55.712 56.400 0.218 0.000 0.769 1261 E CB 3.088 33.001 29.700 0.354 0.000 1.251 1261 E HN 0.670 nan 8.360 nan 0.000 0.450 1262 N N -0.004 118.729 118.700 0.054 0.000 2.453 1262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 1262 N C -1.083 174.465 175.510 0.062 0.000 1.250 1262 N CA -0.608 52.402 53.050 -0.066 0.000 0.815 1262 N CB 1.853 40.202 38.487 -0.230 0.000 1.381 1262 N HN 0.472 nan 8.380 nan 0.000 0.510 1263 S N -1.991 113.746 115.700 0.062 0.000 2.615 1263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 1263 S C -1.657 173.009 174.600 0.110 0.000 1.161 1263 S CA -0.897 57.371 58.200 0.114 0.000 0.817 1263 S CB 1.098 64.406 63.200 0.181 0.000 1.131 1263 S HN 1.093 nan 8.310 nan 0.000 0.467 1264 A N 0.858 123.751 122.820 0.121 0.000 2.414 1264 A HA 0.841 5.161 4.320 0.000 0.000 0.306 1264 A C -1.166 176.505 177.584 0.144 0.000 1.054 1264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 1264 A CB 1.613 20.695 19.000 0.136 0.000 1.267 1264 A HN 0.689 nan 8.150 nan 0.000 0.418 1265 Q N 0.092 120.002 119.800 0.183 0.000 2.372 1265 Q HA 0.725 5.065 4.340 0.000 0.000 0.273 1265 Q C -0.701 175.467 176.000 0.281 0.000 1.078 1265 Q CA -0.598 55.360 55.803 0.259 0.000 0.806 1265 Q CB 2.518 31.456 28.738 0.333 0.000 1.332 1265 Q HN 1.087 nan 8.270 nan 0.000 0.435 1266 A N -0.435 122.557 122.820 0.286 0.000 2.486 1266 A HA 0.909 5.229 4.320 0.000 0.000 0.289 1266 A C 0.210 177.910 177.584 0.193 0.000 1.176 1266 A CA -0.136 51.970 52.037 0.115 0.000 0.757 1266 A CB 1.612 20.650 19.000 0.064 0.000 1.337 1266 A HN 1.005 nan 8.150 nan 0.000 0.423 1267 G N -0.919 107.880 108.800 -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 -0.399 174.484 174.900 -0.028 0.000 1.023 1267 G CA -0.079 45.079 45.100 0.096 0.000 0.688 1267 G HN 0.780 nan 8.290 nan 0.000 0.499 1268 L N 1.383 122.365 121.223 -0.402 0.000 2.397 1268 L HA 0.684 5.024 4.340 0.000 0.000 0.271 1268 L C 0.585 177.357 176.870 -0.163 0.000 1.148 1268 L CA 0.292 54.859 54.840 -0.456 0.000 0.825 1268 L CB 1.448 43.112 42.059 -0.658 0.000 1.117 1268 L HN 0.162 nan 8.230 nan 0.000 0.456 1269 T N 2.405 116.900 114.554 -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 70.780 68.868 -0.014 0.000 1.045 1269 T HN 0.214 nan 8.240 nan 0.000 0.454 1270 P HA 0.056 nan 4.420 nan 0.000 0.261 1270 P C 0.362 177.634 177.300 -0.047 0.000 1.173 1270 P CA 0.438 63.511 63.100 -0.044 0.000 0.760 1270 P CB 0.146 31.831 31.700 -0.026 0.000 0.783 1271 N N -0.900 117.759 118.700 -0.069 0.000 2.753 1271 N HA -0.143 4.597 4.740 0.000 0.000 0.251 1271 N C -0.607 174.869 175.510 -0.058 0.000 1.097 1271 N CA 0.756 53.766 53.050 -0.066 0.000 0.786 1271 N CB -1.651 36.820 38.487 -0.027 0.000 1.137 1271 N HN 0.186 nan 8.380 nan 0.000 0.566 1272 V N 0.924 120.799 119.914 -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 -0.048 0.000 1.038 1272 V CA -0.847 61.432 62.300 -0.033 0.000 0.887 1272 V CB 2.160 33.981 31.823 -0.003 0.000 0.991 1272 V HN -0.053 nan 8.190 nan 0.000 0.434 1273 D N 3.314 123.696 120.400 -0.030 0.000 2.434 1273 D HA 0.125 4.765 4.640 0.000 0.000 0.252 1273 D C -0.571 175.744 176.300 0.026 0.000 1.185 1273 D CA 0.497 54.475 54.000 -0.035 0.000 0.886 1273 D CB 0.416 41.218 40.800 0.004 0.000 1.148 1273 D HN 0.342 nan 8.370 nan 0.000 0.483 1274 F N 3.602 123.458 119.950 -0.157 0.000 2.385 1274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 1274 F C -0.723 175.019 175.800 -0.096 0.000 1.122 1274 F CA -0.804 57.121 58.000 -0.125 0.000 1.090 1274 F CB 0.810 39.707 39.000 -0.171 0.000 1.150 1274 F HN -0.001 nan 8.300 nan 0.000 0.472 1275 V N 6.969 126.612 119.914 -0.452 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 61.215 62.300 -0.320 0.000 0.850 1275 V CB 1.421 33.133 31.823 -0.184 0.000 0.987 1275 V HN 0.493 nan 8.190 nan 0.000 0.436 1276 V N 5.468 125.232 119.914 -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 -1.143 174.609 176.000 -0.413 0.000 0.976 1277 Q CA -0.027 55.643 55.803 -0.222 0.000 0.881 1277 Q CB 0.983 29.647 28.738 -0.122 0.000 1.235 1277 Q HN 0.655 nan 8.270 nan 0.000 0.419 1278 Y N 0.206 120.251 120.300 -0.425 0.000 2.320 1278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 1278 Y C 0.481 175.938 175.900 -0.739 0.000 1.190 1278 Y CA -0.565 57.152 58.100 -0.639 0.000 1.215 1278 Y CB 1.077 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 2.409 124.957 122.820 -0.453 0.000 2.272 1279 A HA 0.400 4.720 4.320 0.000 0.000 0.275 1279 A C -0.256 177.124 177.584 -0.340 0.000 1.096 1279 A CA -0.730 50.872 52.037 -0.726 0.000 0.822 1279 A CB 0.058 18.820 19.000 -0.397 0.000 1.088 1279 A HN 0.876 nan 8.150 nan 0.000 0.495 1280 N N -1.421 117.112 118.700 -0.279 0.000 2.447 1280 N HA 0.479 5.219 4.740 0.000 0.000 0.271 1280 N C 0.204 175.609 175.510 -0.176 0.000 1.226 1280 N CA -0.021 52.916 53.050 -0.190 0.000 0.980 1280 N CB 1.033 39.440 38.487 -0.133 0.000 1.206 1280 N HN 1.418 nan 8.380 nan 0.000 0.558 1281 L N -3.362 117.807 121.223 -0.090 0.000 3.121 1281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 1281 L C -1.048 176.102 176.870 0.468 0.000 0.695 1281 L CA 1.598 56.543 54.840 0.176 0.000 3.096 1281 L CB -1.768 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 1.908 122.220 120.300 0.021 0.000 2.309 1282 Y HA 0.481 5.031 4.550 0.000 0.000 0.327 1282 Y C 0.804 176.710 175.900 0.010 0.000 1.172 1282 Y CA -0.921 57.054 58.100 -0.209 0.000 1.280 1282 Y CB 0.503 38.362 38.460 -1.001 0.000 1.234 1282 Y HN 0.069 nan 8.280 nan 0.000 0.512 1283 R N 3.860 124.457 120.500 0.161 0.000 2.280 1283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 1283 R C -1.696 174.667 176.300 0.104 0.000 1.080 1283 R CA -0.645 55.548 56.100 0.155 0.000 1.002 1283 R CB 0.275 30.602 30.300 0.045 0.000 1.136 1283 R HN 0.578 nan 8.270 nan 0.000 0.509 1284 Y N 2.961 123.365 120.300 0.173 0.000 2.531 1284 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 1284 Y C 1.561 177.521 175.900 0.099 0.000 1.024 1284 Y CA -0.188 58.028 58.100 0.193 0.000 1.306 1284 Y CB 0.608 39.192 38.460 0.207 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 0.028 4.368 4.340 0.000 0.000 0.205 1285 L C 0.768 177.748 176.870 0.183 0.000 1.086 1285 L CA 0.624 55.523 54.840 0.099 0.000 0.778 1285 L CB -0.127 41.912 42.059 -0.033 0.000 0.928 1285 L HN 0.623 nan 8.230 nan 0.000 0.446 1286 S N -1.964 113.905 115.700 0.283 0.000 2.570 1286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 1286 S C -0.614 174.173 174.600 0.311 0.000 1.149 1286 S CA -0.684 57.654 58.200 0.230 0.000 0.837 1286 S CB 2.380 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 1.983 116.632 114.554 0.157 0.000 2.886 1287 T HA 0.613 4.963 4.350 0.000 0.000 0.292 1287 T C -0.932 173.739 174.700 -0.050 0.000 1.012 1287 T CA -0.421 61.719 62.100 0.067 0.000 0.982 1287 T CB 0.883 69.830 68.868 0.131 0.000 1.018 1287 T HN 0.660 nan 8.240 nan 0.000 0.451 1288 I N 2.273 122.744 120.570 -0.164 0.000 2.465 1288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 1288 I C -0.380 175.594 176.117 -0.238 0.000 1.014 1288 I CA -0.980 60.278 61.300 -0.069 0.000 1.093 1288 I CB 1.753 39.816 38.000 0.105 0.000 1.267 1288 I HN 0.727 nan 8.210 nan 0.000 0.431 1289 A N 6.366 129.108 122.820 -0.130 0.000 2.335 1289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 1289 A C -1.099 176.590 177.584 0.174 0.000 1.118 1289 A CA -0.472 51.506 52.037 -0.099 0.000 0.757 1289 A CB 1.377 20.208 19.000 -0.282 0.000 1.188 1289 A HN 0.394 nan 8.150 nan 0.000 0.460 1290 V N 3.308 123.352 119.914 0.217 0.000 2.370 1290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 1290 V C -0.657 175.654 176.094 0.361 0.000 1.023 1290 V CA -0.389 62.086 62.300 0.291 0.000 0.857 1290 V CB 1.206 33.168 31.823 0.232 0.000 0.985 1290 V HN 0.778 nan 8.190 nan 0.000 0.443 1291 F N 5.321 125.388 119.950 0.196 0.000 2.406 1291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 1291 F C 0.442 176.145 175.800 -0.161 0.000 1.161 1291 F CA -1.853 56.174 58.000 0.046 0.000 1.185 1291 F CB 0.178 39.224 39.000 0.076 0.000 1.421 1291 F HN 0.607 nan 8.300 nan 0.000 0.576 1292 D N 4.134 124.533 120.400 -0.001 0.000 2.435 1292 D HA -0.027 4.613 4.640 0.000 0.000 0.230 1292 D C -0.066 175.909 176.300 -0.542 0.000 1.215 1292 D CA 0.089 53.773 54.000 -0.526 0.000 0.947 1292 D CB -0.319 40.421 40.800 -0.100 0.000 1.048 1292 D HN 0.255 nan 8.370 nan 0.000 0.512 1293 N N 2.858 120.984 118.700 -0.957 0.000 3.178 1293 N HA 0.197 4.937 4.740 0.000 0.000 0.300 1293 N C 0.743 175.958 175.510 -0.492 0.000 1.242 1293 N CA 0.457 52.999 53.050 -0.848 0.000 1.192 1293 N CB -0.465 37.326 38.487 -1.160 0.000 1.463 1293 N HN 0.616 nan 8.380 nan 0.000 0.539 1294 G N 0.790 109.397 108.800 -0.320 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 1.085 nan 8.290 nan 0.000 0.503 1295 G N -2.338 106.295 108.800 -0.277 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 0.460 175.238 174.900 -0.203 0.000 0.984 1295 G CA 0.681 45.687 45.100 -0.157 0.000 0.633 1295 G HN 1.750 nan 8.290 nan 0.000 0.525 1296 S N 0.115 115.563 115.700 -0.420 0.000 2.489 1296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 1296 S C -0.821 173.388 174.600 -0.653 0.000 1.151 1296 S CA -0.335 57.667 58.200 -0.331 0.000 1.082 1296 S CB 0.929 63.969 63.200 -0.267 0.000 1.019 1296 S HN 0.306 nan 8.310 nan 0.000 0.492 1297 F N 2.915 122.763 119.950 -0.170 0.000 2.445 1297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 1297 F C 0.468 176.208 175.800 -0.100 0.000 1.125 1297 F CA -0.853 57.056 58.000 -0.152 0.000 0.983 1297 F CB 1.173 40.085 39.000 -0.147 0.000 1.198 1297 F HN 0.391 nan 8.300 nan 0.000 0.436 1298 N N 1.419 120.118 118.700 -0.001 0.000 2.430 1298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 1298 N C -0.485 175.094 175.510 0.114 0.000 1.130 1298 N CA -0.707 52.364 53.050 0.034 0.000 0.894 1298 N CB 2.195 40.667 38.487 -0.025 0.000 1.209 1298 N HN 0.563 nan 8.380 nan 0.000 0.503 1299 A N 0.520 123.404 122.820 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 0.281 52.399 52.037 0.134 0.000 1.413 1299 A CB -1.397 17.660 19.000 0.096 0.000 1.112 1299 A HN 0.906 nan 8.150 nan 0.000 0.606 1300 G N 1.114 110.086 108.800 0.288 0.000 2.257 1300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 1300 G C 1.279 176.266 174.900 0.145 0.000 0.984 1300 G CA 1.607 46.868 45.100 0.269 0.000 0.626 1300 G HN 1.496 nan 8.290 nan 0.000 0.540 1301 T N -0.740 113.880 114.554 0.110 0.000 3.007 1301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 1301 T C 1.506 176.237 174.700 0.051 0.000 1.107 1301 T CA 1.797 63.937 62.100 0.067 0.000 1.118 1301 T CB -0.196 68.699 68.868 0.046 0.000 0.889 1301 T HN 0.606 nan 8.240 nan 0.000 0.506 1302 D N 0.410 120.852 120.400 0.069 0.000 2.368 1302 D HA 0.228 4.868 4.640 0.000 0.000 0.218 1302 D C 0.215 176.599 176.300 0.139 0.000 1.112 1302 D CA -0.469 53.579 54.000 0.080 0.000 0.834 1302 D CB -0.274 40.535 40.800 0.016 0.000 0.953 1302 D HN 0.471 nan 8.370 nan 0.000 0.505 1303 I N 0.425 121.033 120.570 0.064 0.000 2.545 1303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 1303 I C 0.642 176.709 176.117 -0.083 0.000 1.040 1303 I CA -0.881 60.385 61.300 -0.058 0.000 1.068 1303 I CB 2.125 40.026 38.000 -0.165 0.000 1.251 1303 I HN -0.270 nan 8.210 nan 0.000 0.424 1304 N N 3.685 122.288 118.700 -0.163 0.000 2.197 1304 N HA 0.014 4.754 4.740 0.000 0.000 0.184 1304 N C -0.593 174.920 175.510 0.006 0.000 1.030 1304 N CA 1.368 54.365 53.050 -0.087 0.000 0.851 1304 N CB 0.290 38.682 38.487 -0.158 0.000 1.003 1304 N HN 0.632 nan 8.380 nan 0.000 0.430 1305 Y N -1.930 118.288 120.300 -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 -1.429 56.572 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 1.689 122.827 121.223 -0.141 0.000 2.333 1306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 1306 L C -0.096 176.632 176.870 -0.237 0.000 1.014 1306 L CA -0.543 53.968 54.840 -0.548 0.000 0.820 1306 L CB 2.205 43.428 42.059 -1.395 0.000 1.352 1306 L HN 0.902 nan 8.230 nan 0.000 0.421 1307 S N -0.180 115.295 115.700 -0.375 0.000 2.636 1307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 1307 S C -2.103 172.389 174.600 -0.180 0.000 1.147 1307 S CA -0.629 57.548 58.200 -0.038 0.000 0.815 1307 S CB 1.537 64.750 63.200 0.021 0.000 1.119 1307 S HN 0.577 nan 8.310 nan 0.000 0.470 1308 Q N 1.126 120.934 119.800 0.014 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 31.176 28.738 0.140 0.000 1.264 1308 Q HN 0.558 nan 8.270 nan 0.000 0.448 1309 R N 1.019 121.541 120.500 0.036 0.000 2.686 1309 R HA 0.548 4.888 4.340 0.000 0.000 0.283 1309 R C -1.188 175.122 176.300 0.015 0.000 0.978 1309 R CA -0.339 55.770 56.100 0.014 0.000 0.897 1309 R CB 1.736 32.037 30.300 0.001 0.000 1.192 1309 R HN 0.699 nan 8.270 nan 0.000 0.457 1310 T N 0.763 115.317 114.554 0.000 0.000 2.794 1310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 1310 T C 0.245 174.940 174.700 -0.009 0.000 0.987 1310 T CA -0.752 61.343 62.100 -0.007 0.000 0.993 1310 T CB 1.671 70.531 68.868 -0.013 0.000 0.939 1310 T HN 0.694 nan 8.240 nan 0.000 0.449 1311 A N 2.507 125.320 122.820 -0.010 0.000 2.566 1311 A HA 0.456 4.776 4.320 0.000 0.000 0.245 1311 A C 1.462 179.040 177.584 -0.011 0.000 1.056 1311 A CA 0.564 52.594 52.037 -0.010 0.000 0.757 1311 A CB -1.950 17.044 19.000 -0.010 0.000 0.979 1311 A HN 2.486 nan 8.150 nan 0.000 0.508 1312 N N -1.034 117.660 118.700 -0.010 0.000 2.756 1312 N HA 0.237 4.977 4.740 0.000 0.000 0.248 1312 N C 0.325 175.829 175.510 -0.010 0.000 1.062 1312 N CA 2.086 55.130 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 2.498 nan 8.380 nan 0.000 0.548 1313 F N -1.945 117.998 119.950 -0.011 0.000 3.281 1313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 1313 F C 1.330 177.122 175.800 -0.014 0.000 1.275 1313 F CA 1.313 59.306 58.000 -0.012 0.000 0.843 1313 F CB -0.833 38.160 39.000 -0.011 0.000 1.717 1313 F HN 1.986 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 -0.363 174.226 174.600 -0.018 0.000 2.861 1314 S CA 1.519 59.708 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 1.121 nan 8.310 nan 0.000 1.767 1315 D N 0.777 121.162 120.400 -0.026 0.000 2.302 1315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 1315 D C 1.214 177.505 176.300 -0.016 0.000 1.094 1315 D CA 0.406 54.394 54.000 -0.021 0.000 0.897 1315 D CB 1.050 41.826 40.800 -0.040 0.000 1.200 1315 D HN 0.639 nan 8.370 nan 0.000 0.429 1316 T N -1.210 113.342 114.554 -0.003 0.000 3.044 1316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 1316 T C 0.690 175.389 174.700 -0.001 0.000 1.081 1316 T CA -0.366 61.731 62.100 -0.005 0.000 1.040 1316 T CB -0.059 68.807 68.868 -0.004 0.000 0.962 1316 T HN 0.596 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 0.304 4.644 4.340 0.000 0.000 0.200 1317 R C -0.950 175.421 176.300 0.117 0.000 1.438 1317 R CA -0.653 55.471 56.100 0.041 0.000 1.334 1317 R CB -0.335 29.965 30.300 0.000 0.000 1.523 1317 R HN 0.084 nan 8.270 nan 0.000 0.741 1318 K N 3.013 123.436 120.400 0.039 0.000 2.310 1318 K HA 0.324 4.644 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 -0.177 56.107 56.287 -0.004 0.000 0.922 1318 K CB 0.522 32.908 32.500 -0.190 0.000 1.057 1318 K HN 0.453 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 -0.424 176.578 176.870 0.221 0.000 0.998 1319 L CA -1.368 53.598 54.840 0.209 0.000 0.817 1319 L CB 2.049 44.306 42.059 0.330 0.000 1.338 1319 L HN 0.745 nan 8.230 nan 0.000 0.414 1320 D N 0.523 121.026 120.400 0.171 0.000 2.368 1320 D HA 0.135 4.775 4.640 0.000 0.000 0.240 1320 D C -2.110 174.303 176.300 0.188 0.000 1.169 1320 D CA -1.150 52.944 54.000 0.157 0.000 0.906 1320 D CB 0.621 41.493 40.800 0.120 0.000 1.187 1320 D HN 0.195 nan 8.370 nan 0.000 0.435 1321 P HA -0.201 nan 4.420 nan 0.000 0.216 1321 P C 1.002 178.474 177.300 0.286 0.000 1.153 1321 P CA 1.535 64.739 63.100 0.173 0.000 0.858 1321 P CB 0.109 31.880 31.700 0.117 0.000 0.789 1322 K N -1.197 119.331 120.400 0.214 0.000 2.097 1322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 1322 K C 1.955 178.679 176.600 0.208 0.000 1.050 1322 K CA 1.607 58.014 56.287 0.200 0.000 0.938 1322 K CB -0.706 31.877 32.500 0.138 0.000 0.718 1322 K HN 0.157 nan 8.250 nan 0.000 0.442 1323 T N 0.516 115.190 114.554 0.199 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 0.647 62.850 62.100 0.171 0.000 1.137 1323 T CB -0.133 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 2.150 123.520 121.300 0.117 0.000 2.381 1324 W HA -0.060 4.600 4.660 0.000 0.000 0.301 1324 W C 2.445 179.082 176.519 0.198 0.000 1.205 1324 W CA 1.213 58.648 57.345 0.150 0.000 1.285 1324 W CB -0.563 28.994 29.460 0.161 0.000 1.133 1324 W HN 0.288 nan 8.180 nan 0.000 0.521 1325 A N 0.883 123.997 122.820 0.490 0.000 1.972 1325 A HA -0.058 4.262 4.320 0.000 0.000 0.219 1325 A C 2.177 179.882 177.584 0.201 0.000 1.169 1325 A CA 2.463 54.721 52.037 0.369 0.000 0.635 1325 A CB -1.192 18.000 19.000 0.319 0.000 0.810 1325 A HN 0.287 nan 8.150 nan 0.000 0.446 1326 A N -0.739 122.172 122.820 0.152 0.000 1.902 1326 A HA -0.194 4.126 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 1.687 53.777 52.037 0.088 0.000 0.623 1326 A CB -0.460 18.584 19.000 0.073 0.000 0.818 1326 A HN 0.509 nan 8.150 nan 0.000 0.443 1327 Q N -0.437 119.371 119.800 0.014 0.000 2.124 1327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 1327 Q C 2.116 178.132 176.000 0.027 0.000 0.977 1327 Q CA 2.014 57.795 55.803 -0.036 0.000 0.850 1327 Q CB -1.327 27.304 28.738 -0.179 0.000 0.901 1327 Q HN 0.636 nan 8.270 nan 0.000 0.429 1328 T N 1.248 115.856 114.554 0.090 0.000 2.821 1328 T HA -0.074 4.276 4.350 0.000 0.000 0.267 1328 T C 1.819 176.582 174.700 0.105 0.000 1.046 1328 T CA 0.824 63.051 62.100 0.210 0.000 1.139 1328 T CB -0.063 69.025 68.868 0.367 0.000 0.871 1328 T HN 0.268 nan 8.240 nan 0.000 0.454 1329 R N 0.725 121.266 120.500 0.069 0.000 2.159 1329 R HA 0.015 4.355 4.340 0.000 0.000 0.237 1329 R C 2.447 178.750 176.300 0.006 0.000 1.131 1329 R CA 0.796 56.907 56.100 0.018 0.000 0.982 1329 R CB -0.085 30.231 30.300 0.026 0.000 0.868 1329 R HN 0.243 nan 8.270 nan 0.000 0.453 1330 R N 0.151 120.666 120.500 0.024 0.000 2.235 1330 R HA 0.015 4.355 4.340 0.000 0.000 0.213 1330 R C 1.850 178.164 176.300 0.023 0.000 1.059 1330 R CA 0.696 56.806 56.100 0.017 0.000 0.997 1330 R CB 0.031 30.342 30.300 0.019 0.000 0.884 1330 R HN 0.170 nan 8.270 nan 0.000 0.462 1331 R N 0.451 120.978 120.500 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 -0.027 0.000 1.049 1331 R CA 0.771 56.905 56.100 0.056 0.000 1.029 1331 R CB 0.032 30.445 30.300 0.189 0.000 0.949 1331 R HN 0.314 nan 8.270 nan 0.000 0.471 1332 I N -3.948 116.565 120.570 -0.095 0.000 4.050 1332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 1332 I C 0.485 176.507 176.117 -0.158 0.000 1.473 1332 I CA 0.097 61.285 61.300 -0.185 0.000 1.124 1332 I CB 0.892 38.648 38.000 -0.407 0.000 1.129 1332 I HN -0.037 nan 8.210 nan 0.000 0.428 1333 A N 0.252 123.013 122.820 -0.098 0.000 2.861 1333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 1333 A C 0.645 178.179 177.584 -0.083 0.000 1.351 1333 A CA 1.689 53.680 52.037 -0.076 0.000 0.904 1333 A CB -2.303 16.655 19.000 -0.070 0.000 1.076 1333 A HN 0.815 nan 8.150 nan 0.000 0.729 1334 T N -1.870 112.616 114.554 -0.114 0.000 2.654 1334 T HA 0.494 4.844 4.350 0.000 0.000 0.303 1334 T C -2.144 172.476 174.700 -0.133 0.000 1.656 1334 T CA 0.134 62.171 62.100 -0.106 0.000 0.971 1334 T CB 0.928 69.725 68.868 -0.119 0.000 1.811 1334 T HN 0.283 nan 8.240 nan 0.000 0.483 1335 D N 0.611 120.952 120.400 -0.097 0.000 2.181 1335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 1335 D C -0.251 175.966 176.300 -0.139 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 0.024 0.000 1.187 1335 D HN 0.330 nan 8.370 nan 0.000 0.443 1336 F N 0.637 120.519 119.950 -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 -0.179 0.000 1.202 1336 F CA -1.255 56.601 58.000 -0.241 0.000 1.192 1336 F CB 0.034 38.786 39.000 -0.412 0.000 1.256 1336 F HN 0.079 nan 8.300 nan 0.000 0.558 1337 P HA -0.003 nan 4.420 nan 0.000 0.270 1337 P C -1.199 176.127 177.300 0.043 0.000 1.227 1337 P CA -0.271 62.885 63.100 0.094 0.000 0.788 1337 P CB 0.327 32.177 31.700 0.251 0.000 0.926 1338 K N 1.097 121.532 120.400 0.058 0.000 2.530 1338 K HA 0.143 4.463 4.320 0.000 0.000 0.280 1338 K C 1.283 177.941 176.600 0.096 0.000 1.004 1338 K CA 1.236 57.558 56.287 0.059 0.000 1.071 1338 K CB -0.731 31.825 32.500 0.093 0.000 0.876 1338 K HN 0.857 nan 8.250 nan 0.000 0.487 1339 G N 1.173 109.979 108.800 0.010 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 0.043 45.212 45.100 0.115 0.000 0.641 1339 G HN 0.428 nan 8.290 nan 0.000 0.533 1340 V N 1.029 120.721 119.914 -0.370 0.000 2.370 1340 V HA 0.645 4.765 4.120 0.000 0.000 0.279 1340 V C -0.301 175.420 176.094 -0.621 0.000 1.029 1340 V CA -0.766 61.320 62.300 -0.356 0.000 0.870 1340 V CB 0.825 32.417 31.823 -0.384 0.000 0.984 1340 V HN 0.252 nan 8.190 nan 0.000 0.451 1341 Y N 4.259 124.603 120.300 0.073 0.000 2.376 1341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 1341 Y C -0.487 175.598 175.900 0.309 0.000 0.965 1341 Y CA -0.773 57.473 58.100 0.244 0.000 1.078 1341 Y CB 1.747 40.293 38.460 0.144 0.000 1.193 1341 Y HN 0.639 nan 8.280 nan 0.000 0.452 1342 Y N 2.441 123.031 120.300 0.484 0.000 2.468 1342 Y HA 0.682 5.232 4.550 0.000 0.000 0.342 1342 Y C -1.125 175.059 175.900 0.474 0.000 1.021 1342 Y CA -1.795 56.490 58.100 0.309 0.000 1.079 1342 Y CB 1.699 40.257 38.460 0.164 0.000 1.226 1342 Y HN 0.798 nan 8.280 nan 0.000 0.460 1343 C N 6.548 125.563 119.300 -0.475 0.000 2.505 1343 C HA 0.365 4.825 4.460 0.000 0.000 0.342 1343 C C -1.390 173.188 174.990 -0.687 0.000 1.121 1343 C CA -0.701 58.096 59.018 -0.368 0.000 1.306 1343 C CB -0.024 27.889 27.740 0.288 0.000 1.897 1343 C HN 0.887 nan 8.230 nan 0.000 0.446 1344 D N 3.975 124.059 120.400 -0.527 0.000 2.274 1344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 1344 D C 0.038 176.295 176.300 -0.071 0.000 1.104 1344 D CA 0.238 54.105 54.000 -0.222 0.000 0.840 1344 D CB 0.791 41.600 40.800 0.015 0.000 1.100 1344 D HN 0.708 nan 8.370 nan 0.000 0.477 1345 N N 3.441 122.141 118.700 -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 52.901 53.050 0.019 0.000 0.884 1345 N CB 0.709 39.215 38.487 0.032 0.000 1.332 1345 N HN 0.358 nan 8.380 nan 0.000 0.498 1346 R N 0.480 121.012 120.500 0.053 0.000 2.081 1346 R HA -0.044 4.296 4.340 0.000 0.000 0.235 1346 R C 0.772 177.085 176.300 0.021 0.000 1.131 1346 R CA 1.150 57.278 56.100 0.048 0.000 0.960 1346 R CB 0.098 30.463 30.300 0.108 0.000 0.856 1346 R HN 0.117 nan 8.270 nan 0.000 0.436 1347 D N 0.379 120.795 120.400 0.027 0.000 2.224 1347 D HA -0.040 4.600 4.640 0.000 0.000 0.205 1347 D C 0.181 176.487 176.300 0.010 0.000 0.965 1347 D CA 1.248 55.258 54.000 0.017 0.000 0.852 1347 D CB 0.243 41.053 40.800 0.017 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 -2.755 173.858 176.600 0.022 0.000 1.069 1348 K CA -1.425 54.870 56.287 0.015 0.000 1.033 1348 K CB 2.482 34.988 32.500 0.011 0.000 1.229 1348 K HN -0.128 nan 8.250 nan 0.000 0.572 1349 P HA -0.027 nan 4.420 nan 0.000 0.266 1349 P C -0.095 177.256 177.300 0.085 0.000 1.195 1349 P CA -0.196 62.938 63.100 0.058 0.000 0.768 1349 P CB 0.461 32.190 31.700 0.049 0.000 0.838 1350 I N 3.746 124.356 120.570 0.066 0.000 2.587 1350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 1350 I C -0.047 176.196 176.117 0.209 0.000 1.134 1350 I CA 0.414 61.701 61.300 -0.022 0.000 1.410 1350 I CB -1.161 36.580 38.000 -0.432 0.000 1.392 1350 I HN 0.419 nan 8.210 nan 0.000 0.545 1351 Y N 6.236 126.539 120.300 0.006 0.000 2.317 1351 Y HA 0.158 4.708 4.550 0.000 0.000 0.329 1351 Y C 1.095 177.000 175.900 0.009 0.000 1.101 1351 Y CA -0.870 57.258 58.100 0.048 0.000 1.228 1351 Y CB 1.343 39.833 38.460 0.050 0.000 1.123 1351 Y HN 0.725 nan 8.280 nan 0.000 0.457 1352 T N 1.362 115.787 114.554 -0.216 0.000 2.770 1352 T HA 0.064 4.414 4.350 0.000 0.000 0.263 1352 T C 1.944 176.456 174.700 -0.314 0.000 1.039 1352 T CA 2.365 64.329 62.100 -0.225 0.000 1.142 1352 T CB -0.622 68.142 68.868 -0.174 0.000 0.868 1352 T HN 1.591 nan 8.240 nan 0.000 0.435 1353 L N -2.136 118.800 121.223 -0.479 0.000 3.211 1353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 1353 L C 0.847 177.608 176.870 -0.181 0.000 0.707 1353 L CA 2.508 57.122 54.840 -0.377 0.000 2.938 1353 L CB -2.630 39.265 42.059 -0.273 0.000 0.825 1353 L HN 1.424 nan 8.230 nan 0.000 0.704 1354 Q N -1.847 117.870 119.800 -0.138 0.000 2.310 1354 Q HA 0.672 5.012 4.340 0.000 0.000 0.270 1354 Q C -0.495 175.485 176.000 -0.034 0.000 1.025 1354 Q CA -0.278 55.492 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 1.553 121.799 120.300 -0.090 0.000 2.852 1355 Y HA 0.240 4.790 4.550 0.000 0.000 0.343 1355 Y C 1.609 177.473 175.900 -0.060 0.000 1.280 1355 Y CA 2.276 60.327 58.100 -0.081 0.000 1.604 1355 Y CB 0.145 38.553 38.460 -0.087 0.000 1.216 1355 Y HN 1.374 nan 8.280 nan 0.000 0.541 1356 G N 2.065 110.678 108.800 -0.312 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 0.802 175.667 174.900 -0.058 0.000 0.979 1356 G CA 0.691 45.710 45.100 -0.136 0.000 0.650 1356 G HN 1.081 nan 8.290 nan 0.000 0.529 1357 N N -1.050 117.610 118.700 -0.067 0.000 2.364 1357 N HA 0.321 5.061 4.740 0.000 0.000 0.183 1357 N C 0.985 176.475 175.510 -0.033 0.000 1.022 1357 N CA 2.024 55.047 53.050 -0.045 0.000 0.883 1357 N CB 0.153 38.604 38.487 -0.060 0.000 0.965 1357 N HN 1.059 nan 8.380 nan 0.000 0.438 1358 V N -1.052 118.846 119.914 -0.028 0.000 2.789 1358 V HA 0.822 4.942 4.120 0.000 0.000 0.311 1358 V C 0.371 176.568 176.094 0.172 0.000 1.073 1358 V CA -0.657 61.661 62.300 0.029 0.000 0.921 1358 V CB 1.507 33.295 31.823 -0.057 0.000 1.009 1358 V HN 0.525 nan 8.190 nan 0.000 0.426 1359 G N 1.606 110.519 108.800 0.188 0.000 2.619 1359 G HA2 0.673 4.633 3.960 0.000 0.000 0.296 1359 G HA3 0.673 4.633 3.960 0.000 0.000 0.296 1359 G C -1.938 173.107 174.900 0.242 0.000 1.334 1359 G CA -0.638 44.562 45.100 0.166 0.000 0.934 1359 G HN 0.487 nan 8.290 nan 0.000 0.476 1360 F N 1.841 121.787 119.950 -0.006 0.000 2.410 1360 F HA 0.636 5.163 4.527 0.000 0.000 0.349 1360 F C -0.217 175.557 175.800 -0.044 0.000 1.117 1360 F CA -0.509 57.515 58.000 0.040 0.000 1.104 1360 F CB 1.647 40.609 39.000 -0.062 0.000 1.122 1360 F HN 0.271 nan 8.300 nan 0.000 0.483 1361 V N 6.544 126.148 119.914 -0.516 0.000 2.513 1361 V HA 0.587 4.707 4.120 0.000 0.000 0.299 1361 V C -0.811 175.031 176.094 -0.420 0.000 1.035 1361 V CA -0.872 61.240 62.300 -0.314 0.000 0.889 1361 V CB 1.612 33.339 31.823 -0.160 0.000 0.988 1361 V HN 0.561 nan 8.190 nan 0.000 0.440 1362 V N 3.931 123.708 119.914 -0.229 0.000 2.482 1362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 1362 V C -0.380 175.499 176.094 -0.359 0.000 1.026 1362 V CA -0.632 61.467 62.300 -0.335 0.000 0.856 1362 V CB 1.937 33.590 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 -0.596 0.000 2.546 1363 N HA 0.370 5.110 4.740 0.000 0.000 0.238 1363 N C -2.727 172.489 175.510 -0.490 0.000 0.984 1363 N CA -1.616 51.067 53.050 -0.612 0.000 0.935 1363 N CB 2.495 40.301 38.487 -1.134 0.000 1.122 1363 N HN 0.333 nan 8.380 nan 0.000 0.510 1364 P HA 0.143 nan 4.420 nan 0.000 0.275 1364 P C 0.199 177.427 177.300 -0.121 0.000 1.227 1364 P CA -0.195 62.767 63.100 -0.230 0.000 0.781 1364 P CB 2.085 33.643 31.700 -0.237 0.000 0.906 1365 K N 1.623 121.997 120.400 -0.043 0.000 2.128 1365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 1365 K C 0.516 177.115 176.600 -0.002 0.000 1.050 1365 K CA 1.034 57.306 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 -1.425 113.148 114.554 0.032 0.000 2.886 1366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 1366 T C -0.860 173.870 174.700 0.051 0.000 1.012 1366 T CA -0.927 61.182 62.100 0.016 0.000 0.982 1366 T CB 2.023 70.883 68.868 -0.013 0.000 1.018 1366 T HN -0.181 nan 8.240 nan 0.000 0.451 1367 V N 4.147 124.072 119.914 0.019 0.000 2.443 1367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 1367 V C -0.321 175.753 176.094 -0.033 0.000 1.021 1367 V CA -1.030 61.288 62.300 0.030 0.000 0.848 1367 V CB 1.314 33.145 31.823 0.013 0.000 0.998 1367 V HN 0.900 nan 8.190 nan 0.000 0.424 1368 N N 2.561 121.213 118.700 -0.080 0.000 2.413 1368 N HA 0.304 5.044 4.740 0.000 0.000 0.266 1368 N C -0.020 175.446 175.510 -0.073 0.000 1.238 1368 N CA -0.653 52.342 53.050 -0.093 0.000 0.972 1368 N CB 0.517 38.918 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 0.066 4.406 4.340 0.000 0.000 0.270 1369 Q C -0.094 175.874 176.000 -0.054 0.000 1.002 1369 Q CA 0.365 56.139 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 0.471 nan 8.270 nan 0.000 0.400 1370 N N -1.128 117.549 118.700 -0.038 0.000 2.776 1370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 1370 N C -0.729 174.755 175.510 -0.044 0.000 1.111 1370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 1370 N CB -1.288 37.183 38.487 -0.027 0.000 1.065 1370 N HN 0.676 nan 8.380 nan 0.000 0.556 1371 A N 0.776 123.569 122.820 -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 0.175 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 0.554 121.085 120.500 0.051 0.000 2.709 1372 R HA 0.577 4.917 4.340 0.000 0.000 0.270 1372 R C -2.142 174.220 176.300 0.104 0.000 1.038 1372 R CA -0.927 55.187 56.100 0.023 0.000 0.872 1372 R CB 0.787 31.121 30.300 0.058 0.000 1.259 1372 R HN 0.452 nan 8.270 nan 0.000 0.473 1373 L N 2.523 123.794 121.223 0.080 0.000 2.296 1373 L HA 0.485 4.825 4.340 0.000 0.000 0.286 1373 L C -0.678 176.294 176.870 0.170 0.000 1.023 1373 L CA -1.045 53.876 54.840 0.135 0.000 0.812 1373 L CB 1.646 43.787 42.059 0.137 0.000 1.223 1373 L HN 0.448 nan 8.230 nan 0.000 0.421 1374 L N 4.770 126.121 121.223 0.212 0.000 2.262 1374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 1374 L C -0.099 176.875 176.870 0.173 0.000 1.035 1374 L CA -0.285 54.712 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 0.488 nan 8.230 nan 0.000 0.424 1375 M N 2.408 122.009 119.600 0.003 0.000 2.367 1375 M HA 0.548 5.028 4.480 0.000 0.000 0.339 1375 M C 0.378 176.388 176.300 -0.484 0.000 1.177 1375 M CA -0.381 54.738 55.300 -0.301 0.000 1.068 1375 M CB 1.447 33.824 32.600 -0.372 0.000 1.602 1375 M HN 0.564 nan 8.290 nan 0.000 0.457 1376 G N 2.452 110.775 108.800 -0.794 0.000 2.687 1376 G HA2 0.694 4.654 3.960 0.000 0.000 0.301 1376 G HA3 0.694 4.654 3.960 0.000 0.000 0.301 1376 G C -2.034 172.396 174.900 -0.783 0.000 1.416 1376 G CA -0.285 44.134 45.100 -1.134 0.000 1.005 1376 G HN 0.581 nan 8.290 nan 0.000 0.509 1377 Y N 0.197 120.499 120.300 0.003 0.000 2.499 1377 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 1377 Y C 0.285 176.419 175.900 0.389 0.000 0.987 1377 Y CA -0.909 57.400 58.100 0.347 0.000 1.044 1377 Y CB 2.739 41.526 38.460 0.545 0.000 1.245 1377 Y HN 0.420 nan 8.280 nan 0.000 0.461 1378 E N 2.366 122.875 120.200 0.514 0.000 2.176 1378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 1378 E C -1.725 175.018 176.600 0.239 0.000 0.893 1378 E CA -0.758 55.785 56.400 0.238 0.000 0.761 1378 E CB 1.691 31.565 29.700 0.289 0.000 1.133 1378 E HN 0.560 nan 8.360 nan 0.000 0.409 1379 Y N 0.850 121.135 120.300 -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 1.015 39.218 38.460 -0.430 0.000 1.298 1379 Y HN 0.306 nan 8.280 nan 0.000 0.459 1380 F N 0.649 120.697 119.950 0.163 0.000 2.522 1380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 1380 F C 0.119 175.971 175.800 0.086 0.000 1.077 1380 F CA -0.945 57.100 58.000 0.074 0.000 0.944 1380 F CB 2.562 41.557 39.000 -0.008 0.000 1.175 1380 F HN 0.722 nan 8.300 nan 0.000 0.468 1381 T N 1.123 115.822 114.554 0.242 0.000 2.957 1381 T HA 0.277 4.627 4.350 0.000 0.000 0.336 1381 T C -1.062 173.688 174.700 0.083 0.000 1.462 1381 T CA -0.780 61.410 62.100 0.150 0.000 1.073 1381 T CB 1.209 70.123 68.868 0.077 0.000 1.319 1381 T HN 0.695 nan 8.240 nan 0.000 0.485 1382 S N 3.263 119.011 115.700 0.080 0.000 2.576 1382 S HA 0.355 4.825 4.470 0.000 0.000 0.276 1382 S C 1.259 175.885 174.600 0.044 0.000 1.339 1382 S CA -0.568 57.656 58.200 0.041 0.000 1.039 1382 S CB 0.945 64.171 63.200 0.043 0.000 0.902 1382 S HN 0.805 nan 8.310 nan 0.000 0.516 1383 R N 1.629 122.142 120.500 0.022 0.000 2.193 1383 R HA 0.044 4.384 4.340 0.000 0.000 0.229 1383 R C 1.640 177.964 176.300 0.039 0.000 1.110 1383 R CA 1.041 57.154 56.100 0.021 0.000 0.988 1383 R CB -1.761 28.552 30.300 0.021 0.000 0.871 1383 R HN 1.083 nan 8.270 nan 0.000 0.458 1384 T N -0.557 114.022 114.554 0.043 0.000 0.543 1384 T HA -0.185 4.165 4.350 0.000 0.000 0.774 1384 T C 0.284 175.008 174.700 0.039 0.000 0.992 1384 T CA 1.751 63.879 62.100 0.046 0.000 4.076 1384 T CB -0.836 68.068 68.868 0.060 0.000 2.302 1384 T HN 0.573 nan 8.240 nan 0.000 0.398 1385 E N 0.000 120.223 120.200 0.038 0.000 2.725 1385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1385 E CA 0.000 nan 56.400 nan 0.000 0.976 1385 E CB 0.000 nan 29.700 nan 0.000 0.812 1385 E HN 0.000 nan 8.360 nan 0.000 0.440