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 1ikv_1_B DATA FIRST_RESID 1005 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFWEVQLGI PHPAGLKKXK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFKKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWGL TTPXXXXXXX XXXXXXGYEL HPDKWTVQPI VLPEKDSWTV DATA SEQUENCE NDIQKLVGKL NWASQIYPGI KVRQLCKLLR GTKALTEVIP LTEEAELELA DATA SEQUENCE ENREILKEPV HGVYYDPSKD LIAEIQKQGQ GQWTYQIYQE PFKNLKTGKY DATA SEQUENCE ARXXXXXTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWY 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 1005 I HA 0.000 nan 4.170 nan 0.000 0.288 1005 I C 0.000 176.162 176.117 0.075 0.000 1.063 1005 I CA 0.000 61.347 61.300 0.078 0.000 1.566 1005 I CB 0.000 38.051 38.000 0.084 0.000 1.214 1006 E N 2.339 122.577 120.200 0.064 0.000 2.316 1006 E HA 0.279 4.629 4.350 -0.000 0.000 0.275 1006 E C -0.411 176.232 176.600 0.071 0.000 1.029 1006 E CA -0.176 56.261 56.400 0.061 0.000 0.871 1006 E CB 1.300 31.030 29.700 0.050 0.000 1.022 1006 E HN 0.651 nan 8.360 nan 0.000 0.418 1007 T N -0.899 113.701 114.554 0.075 0.000 2.884 1007 T HA 0.162 4.512 4.350 -0.000 0.000 0.298 1007 T C 0.267 175.013 174.700 0.077 0.000 0.998 1007 T CA -0.902 61.250 62.100 0.086 0.000 1.124 1007 T CB 0.758 69.678 68.868 0.088 0.000 0.931 1007 T HN 0.072 nan 8.240 nan 0.000 0.531 1008 V N 7.087 127.055 119.914 0.091 0.000 2.397 1008 V HA 0.238 4.358 4.120 -0.000 0.000 0.262 1008 V C -1.524 174.614 176.094 0.072 0.000 1.047 1008 V CA -1.637 60.721 62.300 0.096 0.000 1.003 1008 V CB -0.093 31.813 31.823 0.140 0.000 1.037 1008 V HN 0.866 nan 8.190 nan 0.000 0.480 1009 P HA 0.035 nan 4.420 nan 0.000 0.260 1009 P C -0.573 176.703 177.300 -0.039 0.000 1.185 1009 P CA 0.429 63.541 63.100 0.019 0.000 0.763 1009 P CB 0.765 32.488 31.700 0.038 0.000 0.776 1010 V N 4.827 124.624 119.914 -0.193 0.000 2.715 1010 V HA 0.547 4.667 4.120 -0.000 0.000 0.310 1010 V C 0.496 176.393 176.094 -0.329 0.000 1.054 1010 V CA -0.529 61.463 62.300 -0.513 0.000 0.928 1010 V CB 1.927 33.063 31.823 -1.144 0.000 1.007 1010 V HN 0.620 nan 8.190 nan 0.000 0.437 1011 K N 3.321 123.554 120.400 -0.278 0.000 2.477 1011 K HA 0.758 5.078 4.320 -0.000 0.000 0.255 1011 K C -1.600 175.007 176.600 0.012 0.000 0.952 1011 K CA -0.898 55.371 56.287 -0.030 0.000 0.826 1011 K CB 2.404 34.922 32.500 0.031 0.000 1.331 1011 K HN 0.420 nan 8.250 nan 0.000 0.437 1012 L N 1.492 122.770 121.223 0.091 0.000 2.416 1012 L HA 0.327 4.667 4.340 -0.000 0.000 0.262 1012 L C 0.235 177.129 176.870 0.040 0.000 1.093 1012 L CA -0.979 53.892 54.840 0.053 0.000 0.801 1012 L CB 0.969 42.981 42.059 -0.078 0.000 1.191 1012 L HN 0.573 nan 8.230 nan 0.000 0.459 1013 K N 3.386 123.807 120.400 0.035 0.000 2.366 1013 K HA 0.066 4.386 4.320 -0.000 0.000 0.279 1013 K C -2.135 174.476 176.600 0.019 0.000 1.098 1013 K CA -1.310 54.993 56.287 0.026 0.000 1.087 1013 K CB -0.128 32.386 32.500 0.022 0.000 0.901 1013 K HN 0.270 nan 8.250 nan 0.000 0.463 1014 P HA -0.171 nan 4.420 nan 0.000 0.263 1014 P C 0.731 178.044 177.300 0.022 0.000 1.168 1014 P CA 0.957 64.073 63.100 0.027 0.000 0.759 1014 P CB 0.660 32.376 31.700 0.027 0.000 0.782 1015 G N 1.735 110.551 108.800 0.027 0.000 2.241 1015 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 1015 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 1015 G C 0.152 175.068 174.900 0.026 0.000 0.998 1015 G CA 0.077 45.193 45.100 0.026 0.000 0.621 1015 G HN 0.503 nan 8.290 nan 0.000 0.519 1016 M N 0.328 119.938 119.600 0.017 0.000 2.573 1016 M HA 0.646 5.126 4.480 -0.000 0.000 0.309 1016 M C -0.568 175.728 176.300 -0.007 0.000 1.202 1016 M CA -0.647 54.658 55.300 0.009 0.000 0.975 1016 M CB 1.625 34.226 32.600 0.001 0.000 1.600 1016 M HN 0.145 nan 8.290 nan 0.000 0.479 1017 D N -0.157 120.243 120.400 -0.000 0.000 2.490 1017 D HA 0.521 5.161 4.640 -0.000 0.000 0.232 1017 D C -0.190 176.065 176.300 -0.076 0.000 1.053 1017 D CA -0.061 53.946 54.000 0.012 0.000 0.914 1017 D CB 1.702 42.589 40.800 0.145 0.000 1.431 1017 D HN 0.698 nan 8.370 nan 0.000 0.483 1018 G N 1.419 110.050 108.800 -0.281 0.000 2.707 1018 G HA2 0.147 4.107 3.960 -0.000 0.000 0.231 1018 G HA3 0.147 4.107 3.960 -0.000 0.000 0.231 1018 G C -2.228 172.662 174.900 -0.017 0.000 1.246 1018 G CA -0.673 44.065 45.100 -0.604 0.000 0.852 1018 G HN 0.401 nan 8.290 nan 0.000 0.584 1019 P HA 0.211 nan 4.420 nan 0.000 0.268 1019 P C -0.226 177.233 177.300 0.264 0.000 1.205 1019 P CA 0.225 63.400 63.100 0.124 0.000 0.771 1019 P CB 0.599 32.361 31.700 0.104 0.000 0.858 1020 K N 1.364 121.876 120.400 0.188 0.000 3.350 1020 K HA 0.250 4.570 4.320 -0.000 0.000 0.181 1020 K C -1.028 175.637 176.600 0.109 0.000 1.064 1020 K CA -0.260 56.120 56.287 0.154 0.000 0.839 1020 K CB 0.759 33.331 32.500 0.120 0.000 0.819 1020 K HN 0.177 nan 8.250 nan 0.000 0.523 1021 V N 1.421 121.404 119.914 0.115 0.000 2.567 1021 V HA 0.234 4.354 4.120 -0.000 0.000 0.289 1021 V C 0.451 176.602 176.094 0.096 0.000 1.049 1021 V CA -0.678 61.688 62.300 0.110 0.000 0.969 1021 V CB 1.338 33.232 31.823 0.120 0.000 0.995 1021 V HN 0.283 nan 8.190 nan 0.000 0.471 1022 K N 1.962 122.421 120.400 0.098 0.000 2.168 1022 K HA 0.314 4.634 4.320 -0.000 0.000 0.258 1022 K C -0.176 176.475 176.600 0.086 0.000 1.010 1022 K CA -0.556 55.772 56.287 0.068 0.000 0.929 1022 K CB 0.472 32.999 32.500 0.044 0.000 0.998 1022 K HN 0.553 nan 8.250 nan 0.000 0.479 1023 Q N 2.615 122.435 119.800 0.033 0.000 2.337 1023 Q HA 0.016 4.356 4.340 -0.000 0.000 0.255 1023 Q C -1.299 174.733 176.000 0.053 0.000 0.997 1023 Q CA -0.258 55.555 55.803 0.017 0.000 0.925 1023 Q CB 0.397 29.117 28.738 -0.029 0.000 1.212 1023 Q HN 0.475 nan 8.270 nan 0.000 0.436 1024 W N 7.771 129.088 121.300 0.029 0.000 2.223 1024 W HA 0.182 4.842 4.660 -0.000 0.000 0.334 1024 W C -2.191 174.361 176.519 0.056 0.000 1.334 1024 W CA -1.663 55.751 57.345 0.114 0.000 1.246 1024 W CB 0.602 30.247 29.460 0.307 0.000 1.184 1024 W HN 0.566 nan 8.180 nan 0.000 0.563 1025 P HA 0.016 nan 4.420 nan 0.000 0.264 1025 P C -0.714 176.672 177.300 0.144 0.000 1.183 1025 P CA 0.714 63.761 63.100 -0.088 0.000 0.763 1025 P CB 0.843 32.395 31.700 -0.247 0.000 0.807 1026 L N 2.007 123.257 121.223 0.044 0.000 2.319 1026 L HA 0.498 4.838 4.340 -0.000 0.000 0.267 1026 L C 1.103 177.947 176.870 -0.042 0.000 1.011 1026 L CA -0.897 53.958 54.840 0.025 0.000 0.818 1026 L CB 1.767 43.819 42.059 -0.011 0.000 1.316 1026 L HN 0.334 nan 8.230 nan 0.000 0.432 1027 T N -3.492 111.017 114.554 -0.074 0.000 2.913 1027 T HA 0.144 4.494 4.350 -0.000 0.000 0.287 1027 T C 0.830 175.469 174.700 -0.102 0.000 1.008 1027 T CA -0.622 61.427 62.100 -0.085 0.000 1.067 1027 T CB 1.872 70.688 68.868 -0.087 0.000 0.996 1027 T HN 0.754 nan 8.240 nan 0.000 0.513 1028 E N 1.251 121.402 120.200 -0.082 0.000 2.082 1028 E HA -0.360 3.990 4.350 -0.000 0.000 0.215 1028 E C 2.004 178.523 176.600 -0.135 0.000 1.048 1028 E CA 2.412 58.759 56.400 -0.088 0.000 0.869 1028 E CB -0.199 29.467 29.700 -0.057 0.000 0.773 1028 E HN 0.946 nan 8.360 nan 0.000 0.466 1029 E N 0.266 120.382 120.200 -0.140 0.000 2.160 1029 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 1029 E C 1.951 178.248 176.600 -0.505 0.000 0.991 1029 E CA 1.475 57.738 56.400 -0.229 0.000 0.810 1029 E CB -0.184 29.456 29.700 -0.101 0.000 0.742 1029 E HN 0.189 nan 8.360 nan 0.000 0.466 1030 K N 0.265 120.385 120.400 -0.466 0.000 2.228 1030 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 1030 K C 2.038 178.415 176.600 -0.371 0.000 1.051 1030 K CA 0.865 56.812 56.287 -0.567 0.000 0.960 1030 K CB 0.038 32.336 32.500 -0.337 0.000 0.743 1030 K HN 0.212 nan 8.250 nan 0.000 0.458 1031 I N 1.044 121.465 120.570 -0.248 0.000 2.162 1031 I HA -0.255 3.915 4.170 -0.000 0.000 0.238 1031 I C 2.023 178.039 176.117 -0.170 0.000 1.076 1031 I CA 1.229 62.431 61.300 -0.163 0.000 1.353 1031 I CB -0.170 37.762 38.000 -0.112 0.000 1.063 1031 I HN 0.056 nan 8.210 nan 0.000 0.408 1032 K N 1.033 121.328 120.400 -0.175 0.000 2.113 1032 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 1032 K C 2.197 178.684 176.600 -0.188 0.000 1.047 1032 K CA 1.664 57.864 56.287 -0.145 0.000 0.928 1032 K CB -0.321 32.107 32.500 -0.120 0.000 0.716 1032 K HN 0.348 nan 8.250 nan 0.000 0.446 1033 A N 1.334 123.945 122.820 -0.348 0.000 1.902 1033 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 1033 A C 2.121 179.563 177.584 -0.237 0.000 1.181 1033 A CA 1.315 53.089 52.037 -0.439 0.000 0.623 1033 A CB -0.548 17.780 19.000 -1.119 0.000 0.818 1033 A HN 0.166 nan 8.150 nan 0.000 0.443 1034 L N -0.121 120.975 121.223 -0.211 0.000 2.072 1034 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 1034 L C 2.613 179.453 176.870 -0.051 0.000 1.079 1034 L CA 1.286 56.062 54.840 -0.106 0.000 0.752 1034 L CB -0.523 41.485 42.059 -0.085 0.000 0.906 1034 L HN 0.439 nan 8.230 nan 0.000 0.436 1035 V N -2.343 117.545 119.914 -0.042 0.000 3.026 1035 V HA -0.221 3.899 4.120 -0.000 0.000 0.265 1035 V C 1.952 178.041 176.094 -0.009 0.000 1.121 1035 V CA 1.947 64.249 62.300 0.004 0.000 1.142 1035 V CB -0.461 31.360 31.823 -0.004 0.000 0.730 1035 V HN 0.576 nan 8.190 nan 0.000 0.503 1036 E N 0.095 120.275 120.200 -0.033 0.000 2.166 1036 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 1036 E C 2.073 178.658 176.600 -0.024 0.000 0.967 1036 E CA 0.900 57.288 56.400 -0.021 0.000 0.840 1036 E CB -0.021 29.669 29.700 -0.017 0.000 0.795 1036 E HN 0.711 nan 8.360 nan 0.000 0.470 1037 I N 0.702 121.252 120.570 -0.033 0.000 2.353 1037 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 1037 I C 2.252 178.314 176.117 -0.091 0.000 1.119 1037 I CA 0.532 61.810 61.300 -0.037 0.000 1.417 1037 I CB -0.098 37.889 38.000 -0.021 0.000 1.078 1037 I HN 0.278 nan 8.210 nan 0.000 0.421 1038 C N -0.174 119.054 119.300 -0.121 0.000 2.485 1038 C HA -0.048 4.412 4.460 -0.000 0.000 0.277 1038 C C 2.903 177.764 174.990 -0.215 0.000 1.376 1038 C CA 0.740 59.597 59.018 -0.269 0.000 1.759 1038 C CB -0.811 26.695 27.740 -0.390 0.000 1.970 1038 C HN 0.446 nan 8.230 nan 0.000 0.509 1039 T N 0.253 114.765 114.554 -0.070 0.000 2.915 1039 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 1039 T C 1.837 176.516 174.700 -0.034 0.000 1.071 1039 T CA 1.330 63.423 62.100 -0.011 0.000 1.132 1039 T CB -0.222 68.654 68.868 0.013 0.000 0.878 1039 T HN 0.667 nan 8.240 nan 0.000 0.479 1040 E N 0.313 120.482 120.200 -0.053 0.000 2.190 1040 E HA 0.056 4.406 4.350 -0.000 0.000 0.191 1040 E C 1.916 178.472 176.600 -0.073 0.000 0.978 1040 E CA 0.358 56.732 56.400 -0.044 0.000 0.839 1040 E CB -0.028 29.656 29.700 -0.027 0.000 0.787 1040 E HN 0.474 nan 8.360 nan 0.000 0.473 1041 M N 0.561 120.081 119.600 -0.132 0.000 2.557 1041 M HA -0.088 4.392 4.480 -0.000 0.000 0.259 1041 M C 1.915 178.117 176.300 -0.164 0.000 1.086 1041 M CA 0.965 56.152 55.300 -0.188 0.000 1.096 1041 M CB 0.069 32.491 32.600 -0.296 0.000 1.424 1041 M HN 0.066 nan 8.290 nan 0.000 0.488 1042 E N 0.908 121.036 120.200 -0.119 0.000 2.102 1042 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 1042 E C 1.785 178.370 176.600 -0.025 0.000 0.971 1042 E CA 0.828 57.197 56.400 -0.052 0.000 0.821 1042 E CB 0.281 29.993 29.700 0.020 0.000 0.777 1042 E HN 0.304 nan 8.360 nan 0.000 0.460 1043 K N 0.648 121.035 120.400 -0.022 0.000 2.002 1043 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 1043 K C 1.917 178.513 176.600 -0.007 0.000 1.048 1043 K CA 1.758 58.040 56.287 -0.009 0.000 0.930 1043 K CB -0.146 32.350 32.500 -0.006 0.000 0.714 1043 K HN 0.245 nan 8.250 nan 0.000 0.438 1044 E N -0.068 120.123 120.200 -0.015 0.000 2.515 1044 E HA -0.047 4.303 4.350 -0.000 0.000 0.201 1044 E C 0.729 177.328 176.600 -0.001 0.000 1.071 1044 E CA 0.341 56.740 56.400 -0.001 0.000 0.880 1044 E CB -0.108 29.590 29.700 -0.002 0.000 0.828 1044 E HN 0.512 nan 8.360 nan 0.000 0.540 1045 G N 2.016 110.806 108.800 -0.016 0.000 2.283 1045 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.280 1045 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.280 1045 G C 0.666 175.558 174.900 -0.013 0.000 1.029 1045 G CA 0.915 46.010 45.100 -0.010 0.000 0.840 1045 G HN 0.304 nan 8.290 nan 0.000 0.505 1046 K N -0.783 119.579 120.400 -0.064 0.000 2.262 1046 K HA 0.287 4.607 4.320 -0.000 0.000 0.200 1046 K C 1.356 177.873 176.600 -0.139 0.000 1.049 1046 K CA 1.262 57.507 56.287 -0.070 0.000 0.979 1046 K CB 0.260 32.651 32.500 -0.181 0.000 0.773 1046 K HN 0.797 nan 8.250 nan 0.000 0.474 1047 I N -2.488 117.947 120.570 -0.226 0.000 2.730 1047 I HA 0.398 4.568 4.170 -0.000 0.000 0.298 1047 I C -0.974 175.096 176.117 -0.079 0.000 1.089 1047 I CA -0.940 60.198 61.300 -0.271 0.000 1.041 1047 I CB 2.518 40.224 38.000 -0.490 0.000 1.235 1047 I HN -0.298 nan 8.210 nan 0.000 0.423 1048 S N 2.941 118.640 115.700 -0.000 0.000 2.536 1048 S HA 0.478 4.948 4.470 -0.000 0.000 0.298 1048 S C -0.516 174.120 174.600 0.059 0.000 1.083 1048 S CA -1.010 57.216 58.200 0.042 0.000 0.995 1048 S CB 1.770 64.970 63.200 0.000 0.000 1.058 1048 S HN 0.521 nan 8.310 nan 0.000 0.488 1049 K N 1.749 122.139 120.400 -0.017 0.000 2.380 1049 K HA 0.313 4.633 4.320 -0.000 0.000 0.267 1049 K C 0.030 176.513 176.600 -0.194 0.000 0.990 1049 K CA 0.137 56.270 56.287 -0.256 0.000 0.946 1049 K CB 0.190 32.517 32.500 -0.289 0.000 0.937 1049 K HN 0.631 nan 8.250 nan 0.000 0.491 1050 I N -2.551 117.870 120.570 -0.249 0.000 3.206 1050 I HA 0.625 4.795 4.170 -0.000 0.000 0.313 1050 I C 0.156 176.178 176.117 -0.159 0.000 1.103 1050 I CA -1.170 60.030 61.300 -0.166 0.000 0.985 1050 I CB 1.957 39.874 38.000 -0.138 0.000 1.240 1050 I HN 0.533 nan 8.210 nan 0.000 0.464 1051 G N 0.581 109.312 108.800 -0.116 0.000 2.521 1051 G HA2 0.570 4.530 3.960 -0.000 0.000 0.323 1051 G HA3 0.570 4.530 3.960 -0.000 0.000 0.323 1051 G C -1.903 172.940 174.900 -0.095 0.000 1.211 1051 G CA -1.403 43.635 45.100 -0.103 0.000 0.979 1051 G HN 0.596 nan 8.290 nan 0.000 0.490 1052 P HA -0.071 nan 4.420 nan 0.000 0.230 1052 P C 1.170 178.422 177.300 -0.079 0.000 1.158 1052 P CA 0.786 63.836 63.100 -0.083 0.000 0.769 1052 P CB 0.263 31.917 31.700 -0.075 0.000 0.807 1053 E N -0.442 119.715 120.200 -0.072 0.000 2.515 1053 E HA -0.105 4.245 4.350 -0.000 0.000 0.201 1053 E C 0.276 176.832 176.600 -0.074 0.000 1.071 1053 E CA 0.312 56.672 56.400 -0.067 0.000 0.880 1053 E CB -0.724 28.944 29.700 -0.053 0.000 0.828 1053 E HN 0.138 nan 8.360 nan 0.000 0.540 1054 N N 2.320 120.976 118.700 -0.074 0.000 2.439 1054 N HA 0.105 4.845 4.740 -0.000 0.000 0.249 1054 N C -1.781 173.653 175.510 -0.127 0.000 1.003 1054 N CA -1.760 51.255 53.050 -0.058 0.000 0.942 1054 N CB 1.586 40.064 38.487 -0.014 0.000 1.115 1054 N HN -0.029 nan 8.380 nan 0.000 0.505 1055 P HA 0.062 nan 4.420 nan 0.000 0.255 1055 P C -0.515 176.561 177.300 -0.374 0.000 1.248 1055 P CA 0.223 63.104 63.100 -0.365 0.000 0.807 1055 P CB 0.177 31.589 31.700 -0.481 0.000 1.150 1056 Y N 0.953 121.263 120.300 0.016 0.000 2.354 1056 Y HA 0.516 5.066 4.550 -0.000 0.000 0.322 1056 Y C 0.865 176.788 175.900 0.038 0.000 1.253 1056 Y CA -0.418 57.708 58.100 0.043 0.000 1.272 1056 Y CB 0.604 39.111 38.460 0.079 0.000 1.255 1056 Y HN -0.125 nan 8.280 nan 0.000 0.500 1057 N N -0.758 118.094 118.700 0.252 0.000 2.516 1057 N HA 0.430 5.170 4.740 -0.000 0.000 0.268 1057 N C -1.835 173.771 175.510 0.160 0.000 1.096 1057 N CA -0.388 52.763 53.050 0.168 0.000 0.954 1057 N CB 1.673 40.219 38.487 0.097 0.000 1.676 1057 N HN 0.551 nan 8.380 nan 0.000 0.490 1058 T N 2.829 117.470 114.554 0.146 0.000 2.886 1058 T HA 0.593 4.943 4.350 -0.000 0.000 0.292 1058 T C -2.791 171.905 174.700 -0.006 0.000 1.012 1058 T CA -1.062 61.082 62.100 0.073 0.000 0.982 1058 T CB 2.001 70.913 68.868 0.074 0.000 1.018 1058 T HN 0.347 nan 8.240 nan 0.000 0.451 1059 P HA 0.519 nan 4.420 nan 0.000 0.276 1059 P C -1.093 175.968 177.300 -0.398 0.000 1.252 1059 P CA -0.464 62.523 63.100 -0.187 0.000 0.802 1059 P CB 0.946 32.578 31.700 -0.112 0.000 1.035 1060 V N -2.506 117.019 119.914 -0.647 0.000 3.087 1060 V HA 0.764 4.884 4.120 -0.000 0.000 0.306 1060 V C -1.178 174.347 176.094 -0.949 0.000 1.187 1060 V CA -0.849 61.066 62.300 -0.642 0.000 0.999 1060 V CB 1.669 33.273 31.823 -0.366 0.000 1.049 1060 V HN 0.405 nan 8.190 nan 0.000 0.431 1061 F N 0.538 120.439 119.950 -0.083 0.000 2.692 1061 F HA 0.966 5.493 4.527 -0.000 0.000 0.320 1061 F C 0.235 175.974 175.800 -0.102 0.000 1.123 1061 F CA -0.502 57.429 58.000 -0.116 0.000 0.961 1061 F CB 2.030 40.906 39.000 -0.207 0.000 1.383 1061 F HN 0.897 nan 8.300 nan 0.000 0.483 1062 A N 1.770 124.656 122.820 0.109 0.000 2.335 1062 A HA 0.844 5.164 4.320 -0.000 0.000 0.304 1062 A C -0.845 176.874 177.584 0.225 0.000 1.118 1062 A CA -0.558 51.541 52.037 0.104 0.000 0.757 1062 A CB 0.566 19.512 19.000 -0.089 0.000 1.188 1062 A HN 0.739 nan 8.150 nan 0.000 0.460 1063 I N -1.221 119.497 120.570 0.246 0.000 3.133 1063 I HA 0.685 4.855 4.170 -0.000 0.000 0.311 1063 I C -0.540 175.667 176.117 0.150 0.000 1.072 1063 I CA -1.222 60.182 61.300 0.172 0.000 1.015 1063 I CB 1.771 39.815 38.000 0.074 0.000 1.233 1063 I HN 0.237 nan 8.210 nan 0.000 0.473 1064 K N 2.200 122.563 120.400 -0.062 0.000 2.130 1064 K HA 0.351 4.671 4.320 -0.000 0.000 0.268 1064 K C -0.119 176.385 176.600 -0.161 0.000 0.983 1064 K CA -0.633 55.509 56.287 -0.241 0.000 0.893 1064 K CB 1.982 34.260 32.500 -0.371 0.000 1.066 1064 K HN 0.529 nan 8.250 nan 0.000 0.450 1065 K N 1.606 121.908 120.400 -0.163 0.000 2.910 1065 K HA -0.096 4.224 4.320 -0.000 0.000 0.339 1065 K C 0.238 176.750 176.600 -0.147 0.000 1.031 1065 K CA 1.210 57.420 56.287 -0.128 0.000 1.014 1065 K CB 0.094 32.525 32.500 -0.114 0.000 0.869 1065 K HN 0.280 nan 8.250 nan 0.000 0.531 1066 K N 1.746 122.065 120.400 -0.135 0.000 3.006 1066 K HA 0.018 4.338 4.320 -0.000 0.000 0.262 1066 K C -1.093 175.428 176.600 -0.131 0.000 1.289 1066 K CA 0.389 56.590 56.287 -0.144 0.000 1.245 1066 K CB -0.191 32.236 32.500 -0.122 0.000 1.614 1066 K HN 0.429 nan 8.250 nan 0.000 0.322 1067 D N -0.642 119.672 120.400 -0.144 0.000 3.099 1067 D HA -0.152 4.488 4.640 -0.000 0.000 0.213 1067 D C 0.198 176.416 176.300 -0.137 0.000 1.121 1067 D CA 1.394 55.314 54.000 -0.133 0.000 0.951 1067 D CB -1.233 39.504 40.800 -0.105 0.000 1.102 1067 D HN 0.531 nan 8.370 nan 0.000 0.423 1068 S N -1.445 114.165 115.700 -0.150 0.000 2.481 1068 S HA 0.571 5.041 4.470 -0.000 0.000 0.267 1068 S C 1.516 175.990 174.600 -0.210 0.000 1.174 1068 S CA 0.434 58.547 58.200 -0.146 0.000 1.027 1068 S CB 0.923 64.052 63.200 -0.118 0.000 1.117 1068 S HN 0.201 nan 8.310 nan 0.000 0.495 1069 T N -3.533 110.899 114.554 -0.203 0.000 3.044 1069 T HA 0.330 4.680 4.350 -0.000 0.000 0.260 1069 T C 0.155 174.659 174.700 -0.327 0.000 1.019 1069 T CA -0.309 61.621 62.100 -0.282 0.000 0.921 1069 T CB -0.311 68.453 68.868 -0.174 0.000 1.053 1069 T HN 0.435 nan 8.240 nan 0.000 0.533 1070 K N 1.698 121.972 120.400 -0.211 0.000 2.273 1070 K HA 0.309 4.629 4.320 -0.000 0.000 0.287 1070 K C -0.854 175.690 176.600 -0.093 0.000 1.089 1070 K CA -0.863 55.360 56.287 -0.107 0.000 0.909 1070 K CB 0.306 32.785 32.500 -0.035 0.000 1.123 1070 K HN 0.323 nan 8.250 nan 0.000 0.473 1071 W N 3.020 124.306 121.300 -0.024 0.000 2.187 1071 W HA 0.061 4.721 4.660 -0.000 0.000 0.348 1071 W C 0.866 177.374 176.519 -0.018 0.000 1.282 1071 W CA -0.093 57.236 57.345 -0.026 0.000 1.271 1071 W CB 0.327 29.772 29.460 -0.025 0.000 1.170 1071 W HN 0.388 nan 8.180 nan 0.000 0.583 1072 R N 2.367 123.020 120.500 0.255 0.000 2.750 1072 R HA 0.331 4.671 4.340 -0.000 0.000 0.281 1072 R C -0.836 175.547 176.300 0.137 0.000 0.972 1072 R CA -1.042 55.147 56.100 0.148 0.000 0.912 1072 R CB 1.431 31.783 30.300 0.087 0.000 1.187 1072 R HN 0.517 nan 8.270 nan 0.000 0.464 1073 K N 3.949 124.405 120.400 0.092 0.000 2.234 1073 K HA 0.243 4.563 4.320 -0.000 0.000 0.282 1073 K C -1.351 175.281 176.600 0.054 0.000 1.039 1073 K CA -0.433 55.879 56.287 0.041 0.000 0.928 1073 K CB 0.888 33.382 32.500 -0.011 0.000 1.039 1073 K HN 0.465 nan 8.250 nan 0.000 0.470 1074 L N 5.697 126.949 121.223 0.049 0.000 2.388 1074 L HA 0.316 4.656 4.340 -0.000 0.000 0.267 1074 L C -1.444 175.438 176.870 0.020 0.000 0.995 1074 L CA -0.689 54.206 54.840 0.093 0.000 0.864 1074 L CB 1.587 43.754 42.059 0.181 0.000 1.216 1074 L HN 0.389 nan 8.230 nan 0.000 0.430 1075 V N 3.450 123.296 119.914 -0.112 0.000 2.461 1075 V HA 0.186 4.306 4.120 -0.000 0.000 0.275 1075 V C 0.011 175.923 176.094 -0.302 0.000 1.047 1075 V CA -0.398 61.669 62.300 -0.389 0.000 0.955 1075 V CB 1.390 32.751 31.823 -0.770 0.000 0.988 1075 V HN 0.668 nan 8.190 nan 0.000 0.471 1076 D N 4.293 124.563 120.400 -0.217 0.000 2.517 1076 D HA 0.153 4.793 4.640 -0.000 0.000 0.220 1076 D C 0.225 176.476 176.300 -0.082 0.000 1.158 1076 D CA -0.296 53.709 54.000 0.008 0.000 0.992 1076 D CB -0.038 40.910 40.800 0.247 0.000 1.058 1076 D HN 0.364 nan 8.370 nan 0.000 0.516 1077 F N 1.650 121.670 119.950 0.117 0.000 2.696 1077 F HA 0.251 4.778 4.527 -0.000 0.000 0.296 1077 F C 2.097 177.960 175.800 0.105 0.000 1.181 1077 F CA -0.241 57.822 58.000 0.105 0.000 1.411 1077 F CB -0.147 38.940 39.000 0.144 0.000 1.014 1077 F HN 0.237 nan 8.300 nan 0.000 0.512 1078 R N 0.262 120.884 120.500 0.202 0.000 2.091 1078 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 1078 R C 2.265 178.647 176.300 0.137 0.000 1.136 1078 R CA 1.506 57.675 56.100 0.115 0.000 0.959 1078 R CB -0.006 30.280 30.300 -0.024 0.000 0.856 1078 R HN 0.128 nan 8.270 nan 0.000 0.437 1079 E N 0.236 120.522 120.200 0.144 0.000 2.006 1079 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 1079 E C 1.902 178.605 176.600 0.172 0.000 0.993 1079 E CA 0.907 57.389 56.400 0.135 0.000 0.808 1079 E CB -0.487 29.282 29.700 0.115 0.000 0.764 1079 E HN 0.175 nan 8.360 nan 0.000 0.449 1080 L N 2.137 123.477 121.223 0.196 0.000 2.189 1080 L HA -0.207 4.133 4.340 -0.000 0.000 0.214 1080 L C 1.528 178.580 176.870 0.303 0.000 1.097 1080 L CA 1.538 56.471 54.840 0.156 0.000 0.764 1080 L CB -0.564 41.531 42.059 0.060 0.000 0.900 1080 L HN 0.024 nan 8.230 nan 0.000 0.436 1081 N N -0.030 118.887 118.700 0.361 0.000 2.084 1081 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 1081 N C 1.767 177.636 175.510 0.597 0.000 1.030 1081 N CA 1.572 54.896 53.050 0.458 0.000 0.849 1081 N CB -0.186 38.427 38.487 0.210 0.000 1.012 1081 N HN 0.384 nan 8.380 nan 0.000 0.423 1082 K N 0.367 120.992 120.400 0.376 0.000 2.032 1082 K HA -0.007 4.313 4.320 -0.000 0.000 0.209 1082 K C 1.621 178.357 176.600 0.228 0.000 1.048 1082 K CA 0.991 57.452 56.287 0.290 0.000 0.927 1082 K CB 0.027 32.633 32.500 0.177 0.000 0.712 1082 K HN 0.088 nan 8.250 nan 0.000 0.441 1083 R N 0.157 120.768 120.500 0.185 0.000 2.341 1083 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 1083 R C 1.150 177.546 176.300 0.160 0.000 1.082 1083 R CA 0.974 57.139 56.100 0.110 0.000 1.017 1083 R CB -0.376 29.933 30.300 0.015 0.000 0.860 1083 R HN 0.221 nan 8.270 nan 0.000 0.473 1084 T N -0.302 114.444 114.554 0.319 0.000 2.975 1084 T HA 0.004 4.354 4.350 -0.000 0.000 0.257 1084 T C 1.456 176.304 174.700 0.246 0.000 1.003 1084 T CA -0.109 62.234 62.100 0.405 0.000 0.932 1084 T CB 0.619 69.940 68.868 0.755 0.000 1.087 1084 T HN 0.204 nan 8.240 nan 0.000 0.512 1085 Q N 2.071 121.918 119.800 0.078 0.000 2.146 1085 Q HA -0.342 3.998 4.340 -0.000 0.000 0.217 1085 Q C 1.889 177.451 176.000 -0.730 0.000 1.023 1085 Q CA 2.572 57.931 55.803 -0.740 0.000 0.903 1085 Q CB -0.322 28.200 28.738 -0.360 0.000 0.990 1085 Q HN 0.439 nan 8.270 nan 0.000 0.413 1086 D N -1.033 119.197 120.400 -0.283 0.000 2.157 1086 D HA -0.223 4.417 4.640 -0.000 0.000 0.191 1086 D C 1.646 177.851 176.300 -0.158 0.000 1.004 1086 D CA 1.713 55.602 54.000 -0.186 0.000 0.854 1086 D CB -0.342 40.425 40.800 -0.054 0.000 0.936 1086 D HN 0.390 nan 8.370 nan 0.000 0.446 1087 F N 2.054 121.889 119.950 -0.192 0.000 2.014 1087 F HA -0.183 4.344 4.527 -0.000 0.000 0.295 1087 F C 2.320 178.052 175.800 -0.114 0.000 1.145 1087 F CA 2.334 60.271 58.000 -0.105 0.000 1.178 1087 F CB -1.133 37.873 39.000 0.011 0.000 0.972 1087 F HN 0.183 nan 8.300 nan 0.000 0.476 1088 W N 0.995 122.242 121.300 -0.088 0.000 2.961 1088 W HA 0.035 4.695 4.660 -0.000 0.000 0.240 1088 W C 1.241 177.651 176.519 -0.183 0.000 1.305 1088 W CA 0.857 58.045 57.345 -0.263 0.000 1.465 1088 W CB -0.969 28.389 29.460 -0.170 0.000 1.135 1088 W HN 0.425 nan 8.180 nan 0.000 0.688 1089 E N 1.153 121.093 120.200 -0.433 0.000 2.520 1089 E HA -0.120 4.230 4.350 -0.000 0.000 0.201 1089 E C 2.258 178.729 176.600 -0.214 0.000 0.894 1089 E CA 0.862 57.053 56.400 -0.349 0.000 1.161 1089 E CB -0.157 29.090 29.700 -0.754 0.000 1.137 1089 E HN -0.002 nan 8.360 nan 0.000 0.510 1090 V N -0.642 119.126 119.914 -0.244 0.000 2.403 1090 V HA 0.003 4.123 4.120 -0.000 0.000 0.239 1090 V C 2.355 178.358 176.094 -0.151 0.000 1.041 1090 V CA 1.385 63.589 62.300 -0.160 0.000 1.051 1090 V CB -0.774 30.965 31.823 -0.141 0.000 0.704 1090 V HN 0.238 nan 8.190 nan 0.000 0.472 1091 Q N 0.455 120.144 119.800 -0.186 0.000 1.956 1091 Q HA -0.098 4.242 4.340 -0.000 0.000 0.208 1091 Q C 1.409 177.275 176.000 -0.224 0.000 0.998 1091 Q CA 2.695 58.384 55.803 -0.191 0.000 0.855 1091 Q CB -0.149 28.456 28.738 -0.221 0.000 0.928 1091 Q HN 0.732 nan 8.270 nan 0.000 0.418 1092 L N 0.898 121.916 121.223 -0.341 0.000 3.154 1092 L HA 0.412 4.752 4.340 -0.000 0.000 0.266 1092 L C 0.611 177.368 176.870 -0.187 0.000 1.300 1092 L CA -0.611 54.056 54.840 -0.289 0.000 1.028 1092 L CB 0.445 42.241 42.059 -0.438 0.000 1.412 1092 L HN 0.175 nan 8.230 nan 0.000 0.564 1093 G N 0.899 109.625 108.800 -0.123 0.000 2.670 1093 G HA2 0.213 4.173 3.960 -0.000 0.000 0.233 1093 G HA3 0.213 4.173 3.960 -0.000 0.000 0.233 1093 G C -0.227 174.683 174.900 0.015 0.000 1.251 1093 G CA -0.060 45.022 45.100 -0.029 0.000 0.849 1093 G HN 0.254 nan 8.290 nan 0.000 0.588 1094 I N 1.887 122.514 120.570 0.094 0.000 2.410 1094 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 1094 I C -2.018 174.219 176.117 0.201 0.000 1.009 1094 I CA -1.681 59.699 61.300 0.134 0.000 1.111 1094 I CB 2.108 40.203 38.000 0.159 0.000 1.262 1094 I HN 0.280 nan 8.210 nan 0.000 0.443 1095 P HA 0.028 nan 4.420 nan 0.000 0.266 1095 P C -0.742 176.641 177.300 0.137 0.000 1.195 1095 P CA 0.098 63.273 63.100 0.126 0.000 0.768 1095 P CB 0.314 32.055 31.700 0.069 0.000 0.838 1096 H N 4.337 123.371 119.070 -0.061 0.000 2.476 1096 H HA 0.280 4.836 4.556 -0.000 0.000 0.328 1096 H C -2.261 172.896 175.328 -0.286 0.000 1.073 1096 H CA -2.094 53.747 56.048 -0.346 0.000 1.229 1096 H CB 1.247 30.801 29.762 -0.347 0.000 1.432 1096 H HN 0.300 nan 8.280 nan 0.000 0.477 1097 P HA 0.164 nan 4.420 nan 0.000 0.281 1097 P C 0.326 177.348 177.300 -0.464 0.000 1.286 1097 P CA -0.334 62.487 63.100 -0.465 0.000 0.772 1097 P CB 1.143 32.629 31.700 -0.357 0.000 0.862 1098 A N 3.799 126.521 122.820 -0.164 0.000 2.121 1098 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 1098 A C 2.111 179.630 177.584 -0.108 0.000 1.154 1098 A CA 1.584 53.579 52.037 -0.070 0.000 0.679 1098 A CB -1.026 17.968 19.000 -0.010 0.000 0.795 1098 A HN 0.610 nan 8.150 nan 0.000 0.458 1099 G N -0.496 108.225 108.800 -0.132 0.000 2.464 1099 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 1099 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 1099 G C 1.342 176.162 174.900 -0.134 0.000 1.138 1099 G CA 0.828 45.863 45.100 -0.110 0.000 0.793 1099 G HN 0.430 nan 8.290 nan 0.000 0.539 1100 L N 1.853 122.963 121.223 -0.189 0.000 2.043 1100 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 1100 L C 2.771 179.528 176.870 -0.187 0.000 1.075 1100 L CA 2.483 57.214 54.840 -0.182 0.000 0.752 1100 L CB -0.406 41.501 42.059 -0.253 0.000 0.891 1100 L HN 0.454 nan 8.230 nan 0.000 0.432 1101 K N -0.766 119.523 120.400 -0.185 0.000 2.555 1101 K HA -0.064 4.256 4.320 -0.000 0.000 0.193 1101 K C 0.541 177.025 176.600 -0.193 0.000 1.032 1101 K CA 0.488 56.657 56.287 -0.197 0.000 1.004 1101 K CB -0.101 32.307 32.500 -0.152 0.000 0.804 1101 K HN 0.298 nan 8.250 nan 0.000 0.496 1105 S N 0.220 115.815 115.700 -0.174 0.000 2.535 1105 S HA 0.536 5.006 4.470 -0.000 0.000 0.272 1105 S C -1.608 172.765 174.600 -0.378 0.000 1.149 1105 S CA -0.623 57.394 58.200 -0.306 0.000 0.888 1105 S CB 2.583 65.465 63.200 -0.531 0.000 1.110 1105 S HN 0.004 nan 8.310 nan 0.000 0.463 1106 V N 2.564 122.274 119.914 -0.340 0.000 2.569 1106 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 1106 V C -0.423 175.596 176.094 -0.124 0.000 1.044 1106 V CA -0.548 61.664 62.300 -0.147 0.000 0.874 1106 V CB 2.037 33.784 31.823 -0.127 0.000 1.002 1106 V HN 0.915 nan 8.190 nan 0.000 0.424 1107 T N 4.180 118.758 114.554 0.039 0.000 2.829 1107 T HA 0.578 4.928 4.350 -0.000 0.000 0.282 1107 T C -0.226 174.397 174.700 -0.128 0.000 0.990 1107 T CA -0.416 61.666 62.100 -0.030 0.000 1.028 1107 T CB 1.743 70.656 68.868 0.076 0.000 0.951 1107 T HN 0.354 nan 8.240 nan 0.000 0.460 1108 V N 4.845 124.624 119.914 -0.225 0.000 2.347 1108 V HA 0.423 4.543 4.120 -0.000 0.000 0.280 1108 V C -0.219 175.759 176.094 -0.194 0.000 1.021 1108 V CA -0.722 61.380 62.300 -0.330 0.000 0.847 1108 V CB 0.717 32.349 31.823 -0.318 0.000 0.990 1108 V HN 0.700 nan 8.190 nan 0.000 0.444 1109 L N 3.521 124.607 121.223 -0.227 0.000 2.322 1109 L HA 0.516 4.856 4.340 -0.000 0.000 0.281 1109 L C -0.079 176.686 176.870 -0.175 0.000 1.014 1109 L CA -0.613 54.132 54.840 -0.160 0.000 0.815 1109 L CB 1.934 43.906 42.059 -0.146 0.000 1.247 1109 L HN 0.535 nan 8.230 nan 0.000 0.421 1110 D N 2.253 122.564 120.400 -0.147 0.000 2.551 1110 D HA 0.085 4.725 4.640 -0.000 0.000 0.223 1110 D C 0.892 177.063 176.300 -0.215 0.000 1.144 1110 D CA -0.343 53.557 54.000 -0.166 0.000 1.025 1110 D CB 0.723 41.439 40.800 -0.140 0.000 1.085 1110 D HN 0.294 nan 8.370 nan 0.000 0.506 1111 V N 1.736 121.500 119.914 -0.249 0.000 3.564 1111 V HA 0.217 4.337 4.120 -0.000 0.000 0.283 1111 V C 1.866 177.608 176.094 -0.587 0.000 1.227 1111 V CA 0.481 62.586 62.300 -0.324 0.000 1.217 1111 V CB -0.547 31.122 31.823 -0.257 0.000 0.994 1111 V HN 0.367 nan 8.190 nan 0.000 0.446 1112 G N 1.273 109.741 108.800 -0.554 0.000 2.511 1112 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 1112 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 1112 G C 1.001 175.325 174.900 -0.960 0.000 1.218 1112 G CA 1.112 45.743 45.100 -0.781 0.000 0.788 1112 G HN 0.540 nan 8.290 nan 0.000 0.560 1113 D N 1.063 121.082 120.400 -0.634 0.000 2.322 1113 D HA -0.072 4.568 4.640 -0.000 0.000 0.210 1113 D C 2.480 178.415 176.300 -0.607 0.000 0.983 1113 D CA 0.975 54.610 54.000 -0.608 0.000 0.902 1113 D CB -0.362 40.308 40.800 -0.217 0.000 0.905 1113 D HN 0.356 nan 8.370 nan 0.000 0.483 1114 A N -0.639 121.780 122.820 -0.668 0.000 2.216 1114 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 1114 A C 1.573 178.838 177.584 -0.531 0.000 1.160 1114 A CA 0.531 52.242 52.037 -0.543 0.000 0.725 1114 A CB -0.674 17.944 19.000 -0.636 0.000 0.784 1114 A HN 0.417 nan 8.150 nan 0.000 0.472 1115 Y N -2.395 117.520 120.300 -0.642 0.000 2.476 1115 Y HA 0.022 4.572 4.550 -0.000 0.000 0.283 1115 Y C 0.958 176.849 175.900 -0.016 0.000 1.109 1115 Y CA -0.374 57.489 58.100 -0.395 0.000 1.246 1115 Y CB 0.051 38.298 38.460 -0.354 0.000 1.068 1115 Y HN 0.289 nan 8.280 nan 0.000 0.552 1116 F N -0.083 119.972 119.950 0.176 0.000 2.738 1116 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 1116 F C 1.367 177.270 175.800 0.171 0.000 1.269 1116 F CA 0.112 58.222 58.000 0.184 0.000 1.441 1116 F CB -0.862 38.224 39.000 0.144 0.000 1.101 1116 F HN -0.076 nan 8.300 nan 0.000 0.545 1117 S N -1.379 114.521 115.700 0.334 0.000 2.559 1117 S HA 0.211 4.681 4.470 -0.000 0.000 0.226 1117 S C 0.418 175.184 174.600 0.276 0.000 1.030 1117 S CA -0.108 58.260 58.200 0.280 0.000 0.956 1117 S CB 0.729 64.088 63.200 0.265 0.000 0.900 1117 S HN -0.064 nan 8.310 nan 0.000 0.510 1118 V N 5.138 125.236 119.914 0.308 0.000 2.398 1118 V HA 0.393 4.512 4.120 -0.000 0.000 0.286 1118 V C -2.274 173.968 176.094 0.246 0.000 1.026 1118 V CA -2.288 60.176 62.300 0.274 0.000 0.868 1118 V CB 1.305 33.317 31.823 0.314 0.000 0.982 1118 V HN 0.129 nan 8.190 nan 0.000 0.443 1119 P HA 0.151 nan 4.420 nan 0.000 0.270 1119 P C -0.930 176.484 177.300 0.190 0.000 1.223 1119 P CA -0.301 62.907 63.100 0.181 0.000 0.785 1119 P CB 1.414 33.198 31.700 0.139 0.000 0.923 1120 L N 1.710 123.048 121.223 0.191 0.000 2.322 1120 L HA 0.379 4.719 4.340 -0.000 0.000 0.281 1120 L C -0.188 176.775 176.870 0.155 0.000 1.014 1120 L CA -0.678 54.282 54.840 0.200 0.000 0.815 1120 L CB 0.829 43.034 42.059 0.242 0.000 1.247 1120 L HN 0.282 nan 8.230 nan 0.000 0.421 1121 D N 2.922 123.400 120.400 0.130 0.000 2.982 1121 D HA -0.132 4.508 4.640 -0.000 0.000 0.222 1121 D C 1.091 177.456 176.300 0.107 0.000 1.124 1121 D CA 0.740 54.800 54.000 0.100 0.000 0.810 1121 D CB 0.955 41.794 40.800 0.064 0.000 1.152 1121 D HN 0.628 nan 8.370 nan 0.000 0.538 1122 E N 3.028 123.273 120.200 0.075 0.000 2.273 1122 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 1122 E C 0.481 177.095 176.600 0.025 0.000 1.002 1122 E CA 1.077 57.507 56.400 0.049 0.000 0.828 1122 E CB -0.137 29.585 29.700 0.037 0.000 0.747 1122 E HN 0.642 nan 8.360 nan 0.000 0.491 1123 D N -0.691 119.735 120.400 0.042 0.000 2.340 1123 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 1123 D C 0.681 176.994 176.300 0.022 0.000 1.039 1123 D CA 0.198 54.208 54.000 0.017 0.000 0.866 1123 D CB -0.094 40.732 40.800 0.043 0.000 0.913 1123 D HN 0.161 nan 8.370 nan 0.000 0.523 1124 F N 0.797 120.658 119.950 -0.148 0.000 2.752 1124 F HA 0.201 4.728 4.527 -0.000 0.000 0.310 1124 F C 1.875 177.527 175.800 -0.247 0.000 1.097 1124 F CA -0.152 57.736 58.000 -0.187 0.000 1.238 1124 F CB 0.347 39.281 39.000 -0.110 0.000 1.061 1124 F HN -0.296 nan 8.300 nan 0.000 0.591 1125 R N 1.132 121.562 120.500 -0.117 0.000 2.170 1125 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 1125 R C 2.017 178.188 176.300 -0.216 0.000 1.145 1125 R CA 1.794 57.823 56.100 -0.119 0.000 0.984 1125 R CB -0.512 29.783 30.300 -0.009 0.000 0.869 1125 R HN 0.390 nan 8.270 nan 0.000 0.455 1126 K N -0.393 119.787 120.400 -0.367 0.000 2.283 1126 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 1126 K C 0.853 177.251 176.600 -0.336 0.000 1.048 1126 K CA 1.181 57.288 56.287 -0.301 0.000 0.948 1126 K CB -0.105 32.216 32.500 -0.298 0.000 0.742 1126 K HN 0.171 nan 8.250 nan 0.000 0.458 1127 Y N 2.598 122.580 120.300 -0.530 0.000 2.583 1127 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 1127 Y C 1.553 177.181 175.900 -0.453 0.000 1.157 1127 Y CA 0.705 58.363 58.100 -0.736 0.000 1.315 1127 Y CB -0.156 37.586 38.460 -1.196 0.000 1.021 1127 Y HN 0.262 nan 8.280 nan 0.000 0.536 1128 T N -2.581 111.908 114.554 -0.110 0.000 3.269 1128 T HA 0.673 5.023 4.350 -0.000 0.000 0.269 1128 T C 0.425 175.370 174.700 0.409 0.000 0.993 1128 T CA -0.312 61.903 62.100 0.193 0.000 0.909 1128 T CB -0.559 68.404 68.868 0.158 0.000 1.115 1128 T HN 0.137 nan 8.240 nan 0.000 0.543 1129 A N 1.862 124.839 122.820 0.261 0.000 2.388 1129 A HA 0.714 5.034 4.320 -0.000 0.000 0.257 1129 A C -0.234 177.542 177.584 0.320 0.000 1.095 1129 A CA -0.726 51.442 52.037 0.219 0.000 0.791 1129 A CB -0.048 19.020 19.000 0.114 0.000 1.029 1129 A HN 0.794 nan 8.150 nan 0.000 0.489 1130 F N -0.936 119.076 119.950 0.104 0.000 2.643 1130 F HA 0.825 5.352 4.527 -0.000 0.000 0.314 1130 F C -0.384 175.441 175.800 0.041 0.000 1.096 1130 F CA -0.859 57.170 58.000 0.049 0.000 0.953 1130 F CB 1.334 40.350 39.000 0.027 0.000 1.345 1130 F HN 0.351 nan 8.300 nan 0.000 0.468 1131 T N 2.373 117.020 114.554 0.154 0.000 2.861 1131 T HA 0.563 4.913 4.350 -0.000 0.000 0.287 1131 T C -0.571 174.183 174.700 0.089 0.000 1.003 1131 T CA -0.435 61.679 62.100 0.024 0.000 0.977 1131 T CB 1.620 70.477 68.868 -0.019 0.000 0.996 1131 T HN 0.595 nan 8.240 nan 0.000 0.448 1132 I N 5.469 126.075 120.570 0.060 0.000 2.313 1132 I HA 0.239 4.409 4.170 -0.000 0.000 0.286 1132 I C -1.703 174.407 176.117 -0.011 0.000 1.091 1132 I CA -2.249 59.086 61.300 0.059 0.000 1.216 1132 I CB 1.046 39.111 38.000 0.109 0.000 1.434 1132 I HN 0.349 nan 8.210 nan 0.000 0.487 1133 P HA -0.021 nan 4.420 nan 0.000 0.272 1133 P C -0.397 176.871 177.300 -0.053 0.000 1.243 1133 P CA 0.007 63.077 63.100 -0.050 0.000 0.803 1133 P CB 0.659 32.325 31.700 -0.057 0.000 0.974 1134 S N -1.191 114.473 115.700 -0.059 0.000 2.549 1134 S HA 0.525 4.995 4.470 -0.000 0.000 0.280 1134 S C -0.027 174.538 174.600 -0.058 0.000 1.109 1134 S CA -0.956 57.210 58.200 -0.057 0.000 0.905 1134 S CB 0.539 63.706 63.200 -0.055 0.000 1.081 1134 S HN 0.245 nan 8.310 nan 0.000 0.477 1135 I N 2.662 123.199 120.570 -0.055 0.000 2.872 1135 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 1135 I C 1.437 177.523 176.117 -0.051 0.000 1.216 1135 I CA 0.432 61.700 61.300 -0.053 0.000 1.424 1135 I CB -0.190 37.782 38.000 -0.047 0.000 1.351 1135 I HN 1.003 nan 8.210 nan 0.000 0.592 1136 N N 4.315 122.985 118.700 -0.051 0.000 2.644 1136 N HA -0.313 4.427 4.740 -0.000 0.000 0.248 1136 N C 0.281 175.761 175.510 -0.050 0.000 1.150 1136 N CA 1.290 54.311 53.050 -0.048 0.000 0.727 1136 N CB -0.845 37.618 38.487 -0.039 0.000 1.091 1136 N HN 0.789 nan 8.380 nan 0.000 0.556 1137 N N -1.475 117.191 118.700 -0.056 0.000 2.678 1137 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 1137 N C 0.381 175.861 175.510 -0.050 0.000 1.136 1137 N CA 1.405 54.421 53.050 -0.056 0.000 0.757 1137 N CB -1.228 37.224 38.487 -0.058 0.000 1.135 1137 N HN 0.912 nan 8.380 nan 0.000 0.565 1138 E N -1.087 119.085 120.200 -0.046 0.000 2.515 1138 E HA -0.011 4.339 4.350 -0.000 0.000 0.201 1138 E C -0.130 176.443 176.600 -0.044 0.000 1.071 1138 E CA 0.574 56.949 56.400 -0.042 0.000 0.880 1138 E CB 0.185 29.862 29.700 -0.037 0.000 0.828 1138 E HN 0.110 nan 8.360 nan 0.000 0.540 1139 T N 1.096 115.620 114.554 -0.050 0.000 3.071 1139 T HA 0.200 4.550 4.350 -0.000 0.000 0.311 1139 T C -2.148 172.515 174.700 -0.062 0.000 1.042 1139 T CA -1.573 60.495 62.100 -0.054 0.000 1.028 1139 T CB 1.818 70.654 68.868 -0.054 0.000 1.068 1139 T HN -0.224 nan 8.240 nan 0.000 0.451 1140 P HA -0.183 nan 4.420 nan 0.000 0.230 1140 P C 0.437 177.688 177.300 -0.081 0.000 1.124 1140 P CA 2.306 65.361 63.100 -0.074 0.000 0.985 1140 P CB -0.054 31.597 31.700 -0.081 0.000 0.774 1141 G N -1.679 107.068 108.800 -0.089 0.000 3.353 1141 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.682 1141 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.682 1141 G C -0.456 174.367 174.900 -0.127 0.000 1.192 1141 G CA -0.724 44.321 45.100 -0.092 0.000 1.111 1141 G HN 0.256 nan 8.290 nan 0.000 0.493 1142 I N 3.101 123.587 120.570 -0.140 0.000 2.828 1142 I HA 0.047 4.217 4.170 -0.000 0.000 0.292 1142 I C 1.164 177.088 176.117 -0.322 0.000 1.206 1142 I CA 0.257 61.412 61.300 -0.241 0.000 1.420 1142 I CB 0.145 38.035 38.000 -0.183 0.000 1.368 1142 I HN 0.289 nan 8.210 nan 0.000 0.556 1143 R N 5.882 126.100 120.500 -0.471 0.000 2.668 1143 R HA 0.687 5.027 4.340 -0.000 0.000 0.279 1143 R C -1.267 174.583 176.300 -0.749 0.000 0.976 1143 R CA -0.927 54.889 56.100 -0.473 0.000 0.978 1143 R CB 2.068 32.182 30.300 -0.310 0.000 1.133 1143 R HN 0.437 nan 8.270 nan 0.000 0.484 1144 Y N -0.594 119.313 120.300 -0.656 0.000 2.656 1144 Y HA 0.204 4.754 4.550 -0.000 0.000 0.334 1144 Y C -0.406 175.132 175.900 -0.603 0.000 1.179 1144 Y CA -0.871 56.790 58.100 -0.731 0.000 1.050 1144 Y CB 2.093 39.870 38.460 -1.139 0.000 1.308 1144 Y HN 0.511 nan 8.280 nan 0.000 0.456 1145 Q N -0.409 119.328 119.800 -0.105 0.000 2.501 1145 Q HA 0.600 4.940 4.340 -0.000 0.000 0.288 1145 Q C -2.209 173.814 176.000 0.038 0.000 1.051 1145 Q CA -1.168 54.665 55.803 0.049 0.000 0.788 1145 Q CB 2.436 31.189 28.738 0.026 0.000 1.469 1145 Q HN 0.589 nan 8.270 nan 0.000 0.416 1146 Y N 1.118 121.532 120.300 0.190 0.000 2.308 1146 Y HA 0.316 4.866 4.550 -0.000 0.000 0.329 1146 Y C 0.712 176.674 175.900 0.104 0.000 1.111 1146 Y CA -0.043 58.155 58.100 0.163 0.000 1.179 1146 Y CB 1.295 39.872 38.460 0.195 0.000 1.201 1146 Y HN 0.727 nan 8.280 nan 0.000 0.483 1147 N N 1.091 119.919 118.700 0.213 0.000 2.273 1147 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 1147 N C -0.454 175.193 175.510 0.228 0.000 1.132 1147 N CA 0.434 53.584 53.050 0.167 0.000 0.887 1147 N CB 1.033 39.578 38.487 0.097 0.000 1.048 1147 N HN 0.377 nan 8.380 nan 0.000 0.490 1148 V N -1.655 118.457 119.914 0.330 0.000 3.113 1148 V HA 0.524 4.644 4.120 -0.000 0.000 0.316 1148 V C 0.217 176.569 176.094 0.430 0.000 1.125 1148 V CA -1.146 61.374 62.300 0.366 0.000 1.026 1148 V CB 1.645 33.709 31.823 0.400 0.000 1.080 1148 V HN -0.134 nan 8.190 nan 0.000 0.444 1149 L N 3.756 125.212 121.223 0.389 0.000 2.559 1149 L HA 0.275 4.615 4.340 -0.000 0.000 0.274 1149 L C -1.850 175.242 176.870 0.371 0.000 1.205 1149 L CA -0.977 54.067 54.840 0.340 0.000 0.907 1149 L CB 0.343 42.523 42.059 0.201 0.000 1.153 1149 L HN 0.581 nan 8.230 nan 0.000 0.490 1150 P HA 0.113 nan 4.420 nan 0.000 0.276 1150 P C -0.502 176.964 177.300 0.277 0.000 1.261 1150 P CA -0.475 62.615 63.100 -0.016 0.000 0.800 1150 P CB 0.990 32.417 31.700 -0.456 0.000 1.066 1151 Q N -0.056 119.936 119.800 0.321 0.000 2.302 1151 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 1151 Q C 2.037 178.224 176.000 0.312 0.000 0.936 1151 Q CA 1.230 57.220 55.803 0.311 0.000 0.886 1151 Q CB -0.335 28.533 28.738 0.217 0.000 0.986 1151 Q HN 0.647 nan 8.270 nan 0.000 0.487 1152 G N -0.232 108.831 108.800 0.438 0.000 2.777 1152 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.211 1152 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.211 1152 G C -0.322 174.837 174.900 0.432 0.000 1.149 1152 G CA -0.521 44.850 45.100 0.452 0.000 0.785 1152 G HN 0.207 nan 8.290 nan 0.000 0.536 1153 W N 2.676 124.021 121.300 0.074 0.000 2.485 1153 W HA 0.401 5.061 4.660 -0.000 0.000 0.315 1153 W C 1.067 177.452 176.519 -0.224 0.000 1.304 1153 W CA -1.408 55.793 57.345 -0.239 0.000 1.345 1153 W CB 0.555 29.664 29.460 -0.584 0.000 1.368 1153 W HN -0.031 nan 8.180 nan 0.000 0.497 1154 K N 3.272 123.322 120.400 -0.584 0.000 2.362 1154 K HA -0.164 4.156 4.320 -0.000 0.000 0.202 1154 K C 2.094 178.093 176.600 -1.003 0.000 1.045 1154 K CA 1.318 57.081 56.287 -0.874 0.000 0.936 1154 K CB -0.137 31.485 32.500 -1.464 0.000 0.747 1154 K HN 0.738 nan 8.250 nan 0.000 0.467 1155 G N 0.536 108.190 108.800 -1.909 0.000 2.408 1155 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 1155 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 1155 G C 1.457 175.601 174.900 -1.260 0.000 1.150 1155 G CA 0.630 44.496 45.100 -2.057 0.000 0.776 1155 G HN 0.178 nan 8.290 nan 0.000 0.542 1156 S N 1.964 117.036 115.700 -1.047 0.000 2.365 1156 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 1156 S C 0.287 174.469 174.600 -0.696 0.000 1.037 1156 S CA 1.843 59.637 58.200 -0.677 0.000 1.060 1156 S CB -1.101 61.660 63.200 -0.732 0.000 0.974 1156 S HN 0.285 nan 8.310 nan 0.000 0.427 1157 P HA -0.181 nan 4.420 nan 0.000 0.217 1157 P C 1.487 178.685 177.300 -0.171 0.000 1.158 1157 P CA 1.810 64.720 63.100 -0.317 0.000 0.887 1157 P CB -0.185 31.376 31.700 -0.232 0.000 0.792 1158 A N -1.032 121.650 122.820 -0.229 0.000 1.883 1158 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 1158 A C 2.242 179.742 177.584 -0.141 0.000 1.186 1158 A CA 1.813 53.733 52.037 -0.194 0.000 0.624 1158 A CB -1.641 17.173 19.000 -0.310 0.000 0.822 1158 A HN 0.136 nan 8.150 nan 0.000 0.444 1159 I N -2.499 118.016 120.570 -0.091 0.000 2.202 1159 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 1159 I C 2.204 178.330 176.117 0.014 0.000 1.091 1159 I CA 1.266 62.570 61.300 0.007 0.000 1.368 1159 I CB -0.248 37.806 38.000 0.089 0.000 1.058 1159 I HN 0.375 nan 8.210 nan 0.000 0.410 1160 F N 1.343 121.210 119.950 -0.138 0.000 2.771 1160 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 1160 F C 2.410 178.177 175.800 -0.054 0.000 1.177 1160 F CA 0.779 58.734 58.000 -0.075 0.000 1.450 1160 F CB -0.283 38.667 39.000 -0.083 0.000 1.114 1160 F HN 0.076 nan 8.300 nan 0.000 0.587 1161 Q N -0.580 119.221 119.800 0.003 0.000 2.364 1161 Q HA -0.153 4.187 4.340 -0.000 0.000 0.209 1161 Q C 1.872 177.802 176.000 -0.116 0.000 0.977 1161 Q CA 1.508 57.293 55.803 -0.030 0.000 0.885 1161 Q CB 0.069 28.784 28.738 -0.037 0.000 0.941 1161 Q HN 0.400 nan 8.270 nan 0.000 0.464 1162 S N -0.286 115.307 115.700 -0.179 0.000 2.315 1162 S HA -0.067 4.403 4.470 -0.000 0.000 0.211 1162 S C 1.936 176.365 174.600 -0.286 0.000 1.029 1162 S CA 0.966 59.056 58.200 -0.185 0.000 0.956 1162 S CB -0.202 62.911 63.200 -0.144 0.000 0.918 1162 S HN 0.405 nan 8.310 nan 0.000 0.470 1163 S N 2.048 117.473 115.700 -0.458 0.000 2.392 1163 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 1163 S C 1.882 176.117 174.600 -0.609 0.000 1.041 1163 S CA 1.672 59.524 58.200 -0.579 0.000 1.026 1163 S CB -0.484 62.189 63.200 -0.879 0.000 0.845 1163 S HN 0.321 nan 8.310 nan 0.000 0.465 1164 M N 2.405 121.647 119.600 -0.596 0.000 2.073 1164 M HA -0.138 4.342 4.480 -0.000 0.000 0.258 1164 M C 2.036 178.193 176.300 -0.240 0.000 1.070 1164 M CA 1.898 57.047 55.300 -0.252 0.000 1.103 1164 M CB -1.662 30.950 32.600 0.021 0.000 1.321 1164 M HN 0.280 nan 8.290 nan 0.000 0.405 1165 T N 0.617 115.058 114.554 -0.189 0.000 2.699 1165 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 1165 T C 1.826 176.415 174.700 -0.185 0.000 1.036 1165 T CA 1.835 63.850 62.100 -0.142 0.000 1.147 1165 T CB -0.337 68.472 68.868 -0.100 0.000 0.862 1165 T HN 0.459 nan 8.240 nan 0.000 0.446 1166 K N 0.502 120.749 120.400 -0.256 0.000 2.032 1166 K HA -0.030 4.290 4.320 -0.000 0.000 0.209 1166 K C 2.268 178.615 176.600 -0.421 0.000 1.048 1166 K CA 1.204 57.331 56.287 -0.268 0.000 0.927 1166 K CB -0.416 31.925 32.500 -0.264 0.000 0.712 1166 K HN 0.359 nan 8.250 nan 0.000 0.441 1167 I N 1.415 121.551 120.570 -0.724 0.000 2.058 1167 I HA -0.344 3.826 4.170 -0.000 0.000 0.235 1167 I C 2.389 178.313 176.117 -0.322 0.000 1.053 1167 I CA 1.487 62.286 61.300 -0.835 0.000 1.313 1167 I CB -0.571 36.939 38.000 -0.816 0.000 1.039 1167 I HN 0.125 nan 8.210 nan 0.000 0.396 1168 L N 0.328 121.418 121.223 -0.223 0.000 2.081 1168 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 1168 L C 2.514 179.364 176.870 -0.033 0.000 1.080 1168 L CA 1.437 56.220 54.840 -0.095 0.000 0.754 1168 L CB -0.861 41.169 42.059 -0.049 0.000 0.893 1168 L HN 0.392 nan 8.230 nan 0.000 0.433 1169 E N 0.303 120.468 120.200 -0.058 0.000 2.164 1169 E HA -0.300 4.050 4.350 -0.000 0.000 0.233 1169 E C -0.431 176.159 176.600 -0.017 0.000 1.073 1169 E CA 2.848 59.231 56.400 -0.029 0.000 0.941 1169 E CB -0.839 28.843 29.700 -0.029 0.000 0.820 1169 E HN 0.313 nan 8.360 nan 0.000 0.486 1170 P HA -0.186 nan 4.420 nan 0.000 0.215 1170 P C 1.226 178.471 177.300 -0.091 0.000 1.163 1170 P CA 1.530 64.625 63.100 -0.008 0.000 0.894 1170 P CB -0.264 31.482 31.700 0.076 0.000 0.791 1171 F N 0.680 120.412 119.950 -0.363 0.000 2.161 1171 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 1171 F C 1.910 177.607 175.800 -0.173 0.000 1.089 1171 F CA 1.669 59.445 58.000 -0.372 0.000 1.282 1171 F CB -0.326 38.399 39.000 -0.460 0.000 1.010 1171 F HN -0.219 nan 8.300 nan 0.000 0.485 1172 K N 0.100 120.475 120.400 -0.041 0.000 2.031 1172 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 1172 K C 2.160 178.683 176.600 -0.129 0.000 1.049 1172 K CA 1.336 57.578 56.287 -0.075 0.000 0.939 1172 K CB -0.301 32.204 32.500 0.007 0.000 0.717 1172 K HN 0.175 nan 8.250 nan 0.000 0.438 1173 K N 1.273 121.617 120.400 -0.093 0.000 2.281 1173 K HA -0.173 4.147 4.320 -0.000 0.000 0.203 1173 K C 1.413 177.949 176.600 -0.108 0.000 1.046 1173 K CA 1.336 57.577 56.287 -0.078 0.000 0.938 1173 K CB 0.181 32.654 32.500 -0.045 0.000 0.737 1173 K HN 0.172 nan 8.250 nan 0.000 0.458 1174 Q N -0.455 119.242 119.800 -0.172 0.000 2.247 1174 Q HA 0.125 4.465 4.340 -0.000 0.000 0.204 1174 Q C -0.632 175.208 176.000 -0.267 0.000 0.872 1174 Q CA -0.020 55.671 55.803 -0.187 0.000 0.951 1174 Q CB 0.801 29.437 28.738 -0.169 0.000 1.099 1174 Q HN 0.144 nan 8.270 nan 0.000 0.501 1175 N N 0.062 118.575 118.700 -0.312 0.000 2.732 1175 N HA 0.113 4.853 4.740 -0.000 0.000 0.230 1175 N C -2.543 172.846 175.510 -0.202 0.000 1.487 1175 N CA -0.639 52.223 53.050 -0.313 0.000 0.765 1175 N CB 1.436 39.576 38.487 -0.578 0.000 1.384 1175 N HN -0.052 nan 8.380 nan 0.000 0.530 1176 P HA -0.035 nan 4.420 nan 0.000 0.223 1176 P C 0.332 177.597 177.300 -0.059 0.000 1.144 1176 P CA 1.244 64.296 63.100 -0.080 0.000 0.783 1176 P CB 0.415 32.077 31.700 -0.063 0.000 0.771 1177 D N -1.674 118.688 120.400 -0.062 0.000 2.363 1177 D HA 0.160 4.800 4.640 -0.000 0.000 0.214 1177 D C 0.304 176.593 176.300 -0.017 0.000 1.093 1177 D CA 0.094 54.072 54.000 -0.037 0.000 0.837 1177 D CB -0.029 40.752 40.800 -0.032 0.000 0.948 1177 D HN 0.163 nan 8.370 nan 0.000 0.507 1178 I N 1.712 122.271 120.570 -0.018 0.000 2.321 1178 I HA 0.153 4.323 4.170 -0.000 0.000 0.291 1178 I C -0.039 176.118 176.117 0.066 0.000 0.998 1178 I CA -1.041 60.284 61.300 0.042 0.000 1.227 1178 I CB 1.544 39.585 38.000 0.068 0.000 1.368 1178 I HN -0.228 nan 8.210 nan 0.000 0.466 1179 V N 5.890 125.844 119.914 0.067 0.000 2.498 1179 V HA 0.501 4.621 4.120 -0.000 0.000 0.279 1179 V C -0.143 176.013 176.094 0.103 0.000 1.048 1179 V CA -0.359 61.975 62.300 0.057 0.000 0.967 1179 V CB 1.138 32.966 31.823 0.009 0.000 0.988 1179 V HN 0.478 nan 8.190 nan 0.000 0.473 1180 I N 5.551 126.187 120.570 0.109 0.000 2.418 1180 I HA 0.467 4.637 4.170 -0.000 0.000 0.287 1180 I C -1.270 174.971 176.117 0.206 0.000 1.008 1180 I CA -0.592 60.793 61.300 0.142 0.000 1.104 1180 I CB 1.890 39.957 38.000 0.112 0.000 1.264 1180 I HN 0.770 nan 8.210 nan 0.000 0.438 1181 Y N 6.484 126.840 120.300 0.094 0.000 2.361 1181 Y HA 0.416 4.966 4.550 -0.000 0.000 0.337 1181 Y C -0.759 175.289 175.900 0.246 0.000 0.965 1181 Y CA -0.981 57.184 58.100 0.108 0.000 1.091 1181 Y CB 1.605 40.069 38.460 0.007 0.000 1.182 1181 Y HN 0.534 nan 8.280 nan 0.000 0.450 1182 Q N 5.279 124.996 119.800 -0.138 0.000 2.271 1182 Q HA 0.386 4.726 4.340 -0.000 0.000 0.258 1182 Q C -2.172 173.596 176.000 -0.386 0.000 0.936 1182 Q CA -0.812 54.903 55.803 -0.146 0.000 0.909 1182 Q CB 1.294 30.033 28.738 0.002 0.000 1.253 1182 Q HN 0.764 nan 8.270 nan 0.000 0.440 1183 Y N 5.125 125.277 120.300 -0.247 0.000 2.301 1183 Y HA 0.206 4.756 4.550 -0.000 0.000 0.325 1183 Y C -0.624 175.316 175.900 0.068 0.000 1.103 1183 Y CA -0.809 57.186 58.100 -0.174 0.000 1.182 1183 Y CB 1.070 39.381 38.460 -0.248 0.000 1.139 1183 Y HN 0.853 nan 8.280 nan 0.000 0.443 1184 M N 6.288 125.593 119.600 -0.493 0.000 3.671 1184 M HA -0.361 4.119 4.480 -0.000 0.000 0.160 1184 M C -0.272 176.061 176.300 0.055 0.000 1.471 1184 M CA 2.226 57.357 55.300 -0.282 0.000 0.982 1184 M CB -0.531 31.780 32.600 -0.482 0.000 1.317 1184 M HN 1.072 nan 8.290 nan 0.000 0.466 1185 D N 0.195 120.664 120.400 0.116 0.000 2.384 1185 D HA -0.156 4.484 4.640 -0.000 0.000 0.170 1185 D C -0.672 175.608 176.300 -0.034 0.000 1.010 1185 D CA 2.168 56.192 54.000 0.040 0.000 1.035 1185 D CB -0.381 40.459 40.800 0.067 0.000 1.093 1185 D HN 0.803 nan 8.370 nan 0.000 0.476 1186 D N 0.015 120.448 120.400 0.056 0.000 2.340 1186 D HA 0.482 5.122 4.640 -0.000 0.000 0.240 1186 D C -0.162 176.089 176.300 -0.082 0.000 1.001 1186 D CA -0.462 53.505 54.000 -0.056 0.000 0.888 1186 D CB 1.701 42.455 40.800 -0.077 0.000 1.310 1186 D HN 0.001 nan 8.370 nan 0.000 0.474 1187 L N 2.057 123.160 121.223 -0.201 0.000 2.313 1187 L HA 0.335 4.675 4.340 -0.000 0.000 0.283 1187 L C -1.216 175.522 176.870 -0.219 0.000 1.013 1187 L CA -0.740 54.031 54.840 -0.115 0.000 0.816 1187 L CB 0.882 42.877 42.059 -0.107 0.000 1.236 1187 L HN 0.323 nan 8.230 nan 0.000 0.419 1188 Y N 3.519 123.819 120.300 0.001 0.000 2.342 1188 Y HA 0.373 4.923 4.550 -0.000 0.000 0.338 1188 Y C 0.047 175.976 175.900 0.048 0.000 0.965 1188 Y CA -0.642 57.481 58.100 0.039 0.000 1.159 1188 Y CB 1.803 40.326 38.460 0.106 0.000 1.157 1188 Y HN 0.158 nan 8.280 nan 0.000 0.486 1189 V N 3.614 123.598 119.914 0.118 0.000 2.384 1189 V HA 0.740 4.860 4.120 -0.000 0.000 0.287 1189 V C 0.252 176.454 176.094 0.179 0.000 1.020 1189 V CA -0.625 61.744 62.300 0.115 0.000 0.850 1189 V CB 1.390 33.228 31.823 0.026 0.000 0.987 1189 V HN 0.908 nan 8.190 nan 0.000 0.436 1190 G N 2.984 111.884 108.800 0.166 0.000 2.482 1190 G HA2 0.775 4.735 3.960 -0.000 0.000 0.317 1190 G HA3 0.775 4.735 3.960 -0.000 0.000 0.317 1190 G C -0.690 174.305 174.900 0.158 0.000 1.241 1190 G CA -0.281 44.904 45.100 0.143 0.000 0.967 1190 G HN 0.971 nan 8.290 nan 0.000 0.482 1191 S N -0.239 115.544 115.700 0.139 0.000 2.547 1191 S HA 0.413 4.883 4.470 -0.000 0.000 0.270 1191 S C -0.766 173.852 174.600 0.030 0.000 1.150 1191 S CA -0.752 57.528 58.200 0.134 0.000 0.850 1191 S CB 2.217 65.600 63.200 0.304 0.000 1.118 1191 S HN 0.332 nan 8.310 nan 0.000 0.461 1192 D N 0.780 121.191 120.400 0.018 0.000 2.339 1192 D HA 0.211 4.851 4.640 -0.000 0.000 0.217 1192 D C 0.620 176.919 176.300 -0.001 0.000 1.050 1192 D CA 0.141 54.132 54.000 -0.016 0.000 0.856 1192 D CB -0.125 40.662 40.800 -0.021 0.000 0.922 1192 D HN 0.288 nan 8.370 nan 0.000 0.518 1193 L N 1.095 122.343 121.223 0.042 0.000 2.444 1193 L HA 0.003 4.343 4.340 -0.000 0.000 0.251 1193 L C 1.222 178.115 176.870 0.038 0.000 1.247 1193 L CA 0.497 55.369 54.840 0.053 0.000 0.825 1193 L CB 0.095 42.217 42.059 0.105 0.000 1.129 1193 L HN -0.133 nan 8.230 nan 0.000 0.527 1194 E N -0.375 119.851 120.200 0.044 0.000 2.318 1194 E HA 0.064 4.414 4.350 -0.000 0.000 0.265 1194 E C 1.121 177.761 176.600 0.067 0.000 1.069 1194 E CA -0.584 55.834 56.400 0.029 0.000 0.893 1194 E CB 1.170 30.883 29.700 0.021 0.000 1.076 1194 E HN 0.382 nan 8.360 nan 0.000 0.414 1195 I N 2.249 122.847 120.570 0.048 0.000 2.113 1195 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 1195 I C 2.003 178.189 176.117 0.114 0.000 1.064 1195 I CA 2.272 63.624 61.300 0.087 0.000 1.320 1195 I CB -0.731 37.304 38.000 0.058 0.000 1.028 1195 I HN 0.756 nan 8.210 nan 0.000 0.406 1196 G N -1.229 107.615 108.800 0.074 0.000 2.446 1196 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 1196 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 1196 G C 1.599 176.542 174.900 0.073 0.000 1.168 1196 G CA 0.768 45.906 45.100 0.065 0.000 0.771 1196 G HN 0.514 nan 8.290 nan 0.000 0.551 1197 Q N -0.930 118.915 119.800 0.076 0.000 2.167 1197 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 1197 Q C 2.203 178.263 176.000 0.100 0.000 0.970 1197 Q CA 1.331 57.177 55.803 0.072 0.000 0.855 1197 Q CB -0.113 28.660 28.738 0.058 0.000 0.911 1197 Q HN 0.772 nan 8.270 nan 0.000 0.438 1198 H N 0.653 119.745 119.070 0.036 0.000 2.268 1198 H HA -0.001 4.555 4.556 -0.000 0.000 0.304 1198 H C 1.971 177.329 175.328 0.051 0.000 1.064 1198 H CA 1.659 57.734 56.048 0.045 0.000 1.316 1198 H CB 0.160 29.946 29.762 0.040 0.000 1.386 1198 H HN -0.021 nan 8.280 nan 0.000 0.496 1199 R N -0.540 120.048 120.500 0.146 0.000 2.153 1199 R HA -0.177 4.163 4.340 -0.000 0.000 0.252 1199 R C 2.298 178.598 176.300 0.000 0.000 1.158 1199 R CA 2.063 58.200 56.100 0.061 0.000 0.975 1199 R CB -0.576 29.784 30.300 0.099 0.000 0.871 1199 R HN 0.422 nan 8.270 nan 0.000 0.450 1200 T N 0.655 115.221 114.554 0.021 0.000 2.668 1200 T HA -0.109 4.241 4.350 -0.000 0.000 0.262 1200 T C 1.658 176.372 174.700 0.023 0.000 1.045 1200 T CA 1.168 63.282 62.100 0.024 0.000 1.152 1200 T CB -0.126 68.763 68.868 0.035 0.000 0.864 1200 T HN 0.041 nan 8.240 nan 0.000 0.419 1201 K N 0.851 121.264 120.400 0.021 0.000 2.228 1201 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 1201 K C 1.915 178.564 176.600 0.080 0.000 1.045 1201 K CA 0.791 57.129 56.287 0.086 0.000 0.931 1201 K CB -0.603 31.936 32.500 0.064 0.000 0.727 1201 K HN 0.247 nan 8.250 nan 0.000 0.458 1202 I N 0.394 120.911 120.570 -0.088 0.000 2.133 1202 I HA -0.212 3.958 4.170 -0.000 0.000 0.238 1202 I C 2.200 178.270 176.117 -0.079 0.000 1.074 1202 I CA 1.331 62.548 61.300 -0.139 0.000 1.342 1202 I CB -1.159 36.737 38.000 -0.174 0.000 1.053 1202 I HN 0.243 nan 8.210 nan 0.000 0.404 1203 E N 1.465 121.644 120.200 -0.034 0.000 2.086 1203 E HA -0.300 4.050 4.350 -0.000 0.000 0.200 1203 E C 2.071 178.678 176.600 0.013 0.000 1.012 1203 E CA 2.072 58.465 56.400 -0.013 0.000 0.812 1203 E CB -0.331 29.372 29.700 0.004 0.000 0.743 1203 E HN 0.445 nan 8.360 nan 0.000 0.453 1204 E N -0.781 119.461 120.200 0.070 0.000 2.070 1204 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 1204 E C 2.066 178.783 176.600 0.195 0.000 1.004 1204 E CA 1.538 58.039 56.400 0.168 0.000 0.805 1204 E CB -0.349 29.522 29.700 0.285 0.000 0.744 1204 E HN 0.354 nan 8.360 nan 0.000 0.451 1205 L N 0.925 122.141 121.223 -0.011 0.000 2.093 1205 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 1205 L C 2.082 178.870 176.870 -0.137 0.000 1.085 1205 L CA 1.609 56.235 54.840 -0.357 0.000 0.755 1205 L CB -0.194 41.329 42.059 -0.893 0.000 0.904 1205 L HN -0.019 nan 8.230 nan 0.000 0.435 1206 R N -0.886 119.557 120.500 -0.095 0.000 2.159 1206 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 1206 R C 2.173 178.463 176.300 -0.016 0.000 1.131 1206 R CA 1.269 57.334 56.100 -0.058 0.000 0.982 1206 R CB -0.291 29.979 30.300 -0.051 0.000 0.868 1206 R HN 0.507 nan 8.270 nan 0.000 0.453 1207 Q N -0.511 119.283 119.800 -0.010 0.000 2.137 1207 Q HA -0.079 4.261 4.340 -0.000 0.000 0.198 1207 Q C 1.970 177.945 176.000 -0.041 0.000 0.960 1207 Q CA 1.180 56.960 55.803 -0.038 0.000 0.847 1207 Q CB -0.106 28.583 28.738 -0.081 0.000 0.915 1207 Q HN 0.573 nan 8.270 nan 0.000 0.448 1208 H N 0.614 119.716 119.070 0.054 0.000 2.353 1208 H HA -0.032 4.524 4.556 -0.000 0.000 0.300 1208 H C 2.329 177.761 175.328 0.173 0.000 1.090 1208 H CA 0.998 57.120 56.048 0.123 0.000 1.327 1208 H CB 0.016 29.820 29.762 0.069 0.000 1.383 1208 H HN 0.156 nan 8.280 nan 0.000 0.508 1209 L N 0.154 121.478 121.223 0.167 0.000 2.012 1209 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 1209 L C 2.645 179.630 176.870 0.192 0.000 1.073 1209 L CA 0.597 55.514 54.840 0.128 0.000 0.748 1209 L CB -0.433 41.633 42.059 0.012 0.000 0.891 1209 L HN 0.163 nan 8.230 nan 0.000 0.431 1210 L N 0.080 121.371 121.223 0.112 0.000 2.137 1210 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 1210 L C 2.406 179.340 176.870 0.107 0.000 1.085 1210 L CA 1.705 56.596 54.840 0.084 0.000 0.760 1210 L CB -0.594 41.483 42.059 0.031 0.000 0.893 1210 L HN 0.079 nan 8.230 nan 0.000 0.434 1211 R N -2.055 118.539 120.500 0.156 0.000 2.316 1211 R HA -0.074 4.266 4.340 -0.000 0.000 0.202 1211 R C 0.638 176.893 176.300 -0.075 0.000 1.029 1211 R CA 0.667 56.792 56.100 0.042 0.000 1.018 1211 R CB -0.434 29.873 30.300 0.012 0.000 0.888 1211 R HN 0.466 nan 8.270 nan 0.000 0.471 1212 W N -0.435 120.889 121.300 0.040 0.000 2.926 1212 W HA 0.424 5.084 4.660 -0.000 0.000 0.419 1212 W C 0.375 176.932 176.519 0.062 0.000 0.993 1212 W CA -0.264 57.117 57.345 0.061 0.000 2.025 1212 W CB 0.089 29.601 29.460 0.085 0.000 1.152 1212 W HN 0.072 nan 8.180 nan 0.000 0.659 1213 G N 2.509 111.413 108.800 0.174 0.000 2.462 1213 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.283 1213 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.283 1213 G C -1.090 173.881 174.900 0.119 0.000 1.043 1213 G CA -0.075 45.096 45.100 0.119 0.000 1.300 1213 G HN 0.420 nan 8.290 nan 0.000 0.518 1214 L N 1.584 122.861 121.223 0.090 0.000 2.588 1214 L HA 0.461 4.801 4.340 -0.000 0.000 0.256 1214 L C 0.499 177.373 176.870 0.006 0.000 1.083 1214 L CA -0.031 54.831 54.840 0.037 0.000 0.909 1214 L CB 0.685 42.780 42.059 0.060 0.000 1.121 1214 L HN 0.341 nan 8.230 nan 0.000 0.470 1215 T N 1.022 115.569 114.554 -0.011 0.000 2.748 1215 T HA 0.660 5.010 4.350 -0.000 0.000 0.304 1215 T C 0.534 175.206 174.700 -0.047 0.000 1.041 1215 T CA 0.348 62.436 62.100 -0.021 0.000 1.033 1215 T CB 0.924 69.782 68.868 -0.016 0.000 0.995 1215 T HN 0.748 nan 8.240 nan 0.000 0.536 1216 T N -1.911 112.616 114.554 -0.046 0.000 2.716 1216 T HA 0.653 5.003 4.350 -0.000 0.000 0.286 1216 T C -2.634 172.035 174.700 -0.051 0.000 1.052 1216 T CA -1.493 60.570 62.100 -0.061 0.000 1.024 1216 T CB -0.156 68.673 68.868 -0.066 0.000 1.349 1216 T HN 0.349 nan 8.240 nan 0.000 0.525 1232 Y N -0.007 120.279 120.300 -0.023 0.000 2.822 1232 Y HA -0.135 4.415 4.550 -0.000 0.000 0.039 1232 Y C -0.938 174.947 175.900 -0.025 0.000 2.087 1232 Y CA -0.093 57.993 58.100 -0.023 0.000 1.180 1232 Y CB -1.380 37.058 38.460 -0.037 0.000 1.859 1232 Y HN 0.688 nan 8.280 nan 0.000 0.292 1233 E N 6.809 126.975 120.200 -0.056 0.000 2.145 1233 E HA 0.653 5.003 4.350 -0.000 0.000 0.270 1233 E C -0.555 175.778 176.600 -0.446 0.000 0.906 1233 E CA -1.017 55.223 56.400 -0.268 0.000 0.761 1233 E CB 1.817 31.414 29.700 -0.173 0.000 1.116 1233 E HN 0.445 nan 8.360 nan 0.000 0.408 1234 L N 2.920 123.826 121.223 -0.528 0.000 2.334 1234 L HA 0.388 4.728 4.340 -0.000 0.000 0.275 1234 L C 0.043 176.500 176.870 -0.689 0.000 1.036 1234 L CA -0.884 53.703 54.840 -0.422 0.000 0.807 1234 L CB 0.908 42.848 42.059 -0.199 0.000 1.231 1234 L HN 0.508 nan 8.230 nan 0.000 0.438 1235 H N 1.904 120.824 119.070 -0.250 0.000 2.530 1235 H HA 0.209 4.765 4.556 -0.000 0.000 0.246 1235 H C -2.015 172.866 175.328 -0.744 0.000 1.346 1235 H CA -1.840 53.989 56.048 -0.365 0.000 1.424 1235 H CB 1.058 30.715 29.762 -0.175 0.000 1.445 1235 H HN 0.348 nan 8.280 nan 0.000 0.511 1236 P HA -0.183 nan 4.420 nan 0.000 0.216 1236 P C 1.561 178.479 177.300 -0.638 0.000 1.153 1236 P CA 1.362 63.585 63.100 -1.463 0.000 0.858 1236 P CB 0.352 31.430 31.700 -1.037 0.000 0.789 1237 D N -0.134 120.056 120.400 -0.351 0.000 2.309 1237 D HA -0.180 4.460 4.640 -0.000 0.000 0.212 1237 D C 0.928 177.179 176.300 -0.081 0.000 0.968 1237 D CA 1.053 54.954 54.000 -0.165 0.000 0.882 1237 D CB -0.414 40.312 40.800 -0.123 0.000 0.918 1237 D HN 0.250 nan 8.370 nan 0.000 0.503 1238 K N -0.452 119.898 120.400 -0.085 0.000 2.498 1238 K HA 0.090 4.410 4.320 -0.000 0.000 0.207 1238 K C -0.451 176.282 176.600 0.223 0.000 1.033 1238 K CA -0.603 55.712 56.287 0.048 0.000 1.138 1238 K CB 0.392 32.916 32.500 0.041 0.000 0.860 1238 K HN 0.033 nan 8.250 nan 0.000 0.490 1239 W N 1.522 122.842 121.300 0.034 0.000 2.358 1239 W HA 0.224 4.884 4.660 -0.000 0.000 0.307 1239 W C 0.542 177.081 176.519 0.033 0.000 1.203 1239 W CA -0.719 56.651 57.345 0.042 0.000 1.279 1239 W CB 0.836 30.308 29.460 0.019 0.000 1.264 1239 W HN -0.180 nan 8.180 nan 0.000 0.474 1240 T N 2.192 116.892 114.554 0.243 0.000 2.924 1240 T HA 0.594 4.944 4.350 -0.000 0.000 0.291 1240 T C -0.475 174.288 174.700 0.104 0.000 1.045 1240 T CA -0.531 61.658 62.100 0.148 0.000 1.015 1240 T CB 1.202 70.141 68.868 0.119 0.000 1.103 1240 T HN -0.010 nan 8.240 nan 0.000 0.496 1241 V N 3.731 123.694 119.914 0.081 0.000 2.811 1241 V HA 0.291 4.411 4.120 -0.000 0.000 0.302 1241 V C 0.312 176.443 176.094 0.062 0.000 1.063 1241 V CA -0.305 62.030 62.300 0.058 0.000 1.088 1241 V CB 1.214 33.073 31.823 0.059 0.000 0.982 1241 V HN 0.841 nan 8.190 nan 0.000 0.485 1242 Q N 6.032 125.859 119.800 0.044 0.000 2.430 1242 Q HA 0.401 4.741 4.340 -0.000 0.000 0.245 1242 Q C -2.575 173.495 176.000 0.116 0.000 1.021 1242 Q CA -1.783 54.065 55.803 0.074 0.000 0.867 1242 Q CB 1.198 29.952 28.738 0.027 0.000 1.210 1242 Q HN 0.483 nan 8.270 nan 0.000 0.487 1243 P HA 0.077 nan 4.420 nan 0.000 0.271 1243 P C -0.639 176.736 177.300 0.124 0.000 1.244 1243 P CA 0.018 63.190 63.100 0.120 0.000 0.793 1243 P CB 0.583 32.336 31.700 0.088 0.000 0.984 1244 I N 1.069 121.679 120.570 0.067 0.000 2.282 1244 I HA 0.113 4.283 4.170 -0.000 0.000 0.290 1244 I C 0.368 176.448 176.117 -0.062 0.000 1.090 1244 I CA -0.916 60.402 61.300 0.031 0.000 1.231 1244 I CB 0.315 38.302 38.000 -0.021 0.000 1.434 1244 I HN 0.080 nan 8.210 nan 0.000 0.487 1245 V N 5.368 125.182 119.914 -0.167 0.000 2.924 1245 V HA 0.370 4.490 4.120 -0.000 0.000 0.305 1245 V C -0.115 175.849 176.094 -0.217 0.000 1.073 1245 V CA -0.378 61.796 62.300 -0.210 0.000 1.098 1245 V CB 1.039 32.670 31.823 -0.321 0.000 1.000 1245 V HN 0.501 nan 8.190 nan 0.000 0.484 1246 L N 4.036 125.183 121.223 -0.126 0.000 2.362 1246 L HA 0.570 4.910 4.340 -0.000 0.000 0.275 1246 L C -1.953 174.896 176.870 -0.035 0.000 0.998 1246 L CA -1.723 53.071 54.840 -0.076 0.000 0.820 1246 L CB 1.858 43.907 42.059 -0.017 0.000 1.270 1246 L HN 0.552 nan 8.230 nan 0.000 0.415 1247 P HA 0.045 nan 4.420 nan 0.000 0.278 1247 P C -0.763 176.634 177.300 0.163 0.000 1.268 1247 P CA -0.071 63.090 63.100 0.101 0.000 0.813 1247 P CB 0.348 32.172 31.700 0.207 0.000 1.180 1248 E N -1.762 118.523 120.200 0.142 0.000 2.903 1248 E HA 0.055 4.405 4.350 -0.000 0.000 0.300 1248 E C -0.766 175.709 176.600 -0.208 0.000 1.063 1248 E CA -0.245 56.124 56.400 -0.050 0.000 1.040 1248 E CB 0.162 29.836 29.700 -0.043 0.000 1.244 1248 E HN 0.231 nan 8.360 nan 0.000 0.400 1249 K N 0.775 120.951 120.400 -0.374 0.000 2.098 1249 K HA 0.203 4.523 4.320 -0.000 0.000 0.261 1249 K C 0.286 176.529 176.600 -0.594 0.000 0.987 1249 K CA -0.354 55.734 56.287 -0.331 0.000 0.916 1249 K CB 0.903 33.393 32.500 -0.015 0.000 1.039 1249 K HN 0.050 nan 8.250 nan 0.000 0.455 1250 D N 0.764 120.970 120.400 -0.325 0.000 2.149 1250 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 1250 D C 1.205 177.333 176.300 -0.287 0.000 0.972 1250 D CA 0.812 54.630 54.000 -0.302 0.000 0.835 1250 D CB 0.227 40.930 40.800 -0.161 0.000 0.966 1250 D HN 0.444 nan 8.370 nan 0.000 0.476 1251 S N -1.485 114.126 115.700 -0.149 0.000 2.229 1251 S HA 0.156 4.626 4.470 -0.000 0.000 0.221 1251 S C -0.589 174.117 174.600 0.176 0.000 1.316 1251 S CA 0.100 58.309 58.200 0.015 0.000 1.002 1251 S CB 0.425 63.683 63.200 0.097 0.000 0.854 1251 S HN 0.428 nan 8.310 nan 0.000 0.451 1252 W N -0.404 120.890 121.300 -0.010 0.000 4.262 1252 W HA 0.078 4.738 4.660 0.000 0.000 0.252 1252 W C -1.093 175.421 176.519 -0.008 0.000 1.207 1252 W CA -0.537 56.802 57.345 -0.010 0.000 1.335 1252 W CB -0.602 28.852 29.460 -0.010 0.000 1.001 1252 W HN 0.904 nan 8.180 nan 0.000 0.554 1253 T N -0.877 113.735 114.554 0.098 0.000 2.950 1253 T HA 0.470 4.820 4.350 -0.000 0.000 0.288 1253 T C 0.474 175.126 174.700 -0.081 0.000 1.035 1253 T CA -0.596 61.514 62.100 0.016 0.000 1.028 1253 T CB 2.014 70.888 68.868 0.010 0.000 1.109 1253 T HN 0.146 nan 8.240 nan 0.000 0.514 1254 V N 1.804 121.686 119.914 -0.054 0.000 2.392 1254 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 1254 V C 2.818 178.850 176.094 -0.104 0.000 1.059 1254 V CA 2.430 64.685 62.300 -0.075 0.000 1.051 1254 V CB -1.320 30.478 31.823 -0.042 0.000 0.658 1254 V HN 1.006 nan 8.190 nan 0.000 0.455 1255 N N 0.689 119.337 118.700 -0.085 0.000 2.025 1255 N HA -0.201 4.539 4.740 -0.000 0.000 0.194 1255 N C 1.516 176.941 175.510 -0.142 0.000 1.044 1255 N CA 2.169 55.167 53.050 -0.086 0.000 0.851 1255 N CB -0.320 38.134 38.487 -0.055 0.000 1.036 1255 N HN 0.483 nan 8.380 nan 0.000 0.422 1256 D N 0.259 120.540 120.400 -0.198 0.000 2.103 1256 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 1256 D C 1.971 178.001 176.300 -0.451 0.000 0.997 1256 D CA 1.204 55.002 54.000 -0.338 0.000 0.833 1256 D CB -0.675 39.845 40.800 -0.468 0.000 0.961 1256 D HN 0.426 nan 8.370 nan 0.000 0.447 1257 I N 1.038 121.298 120.570 -0.516 0.000 2.335 1257 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 1257 I C 2.075 178.046 176.117 -0.242 0.000 1.129 1257 I CA 1.428 62.459 61.300 -0.448 0.000 1.402 1257 I CB -0.279 37.496 38.000 -0.373 0.000 1.069 1257 I HN -0.004 nan 8.210 nan 0.000 0.424 1258 Q N 0.334 120.027 119.800 -0.180 0.000 2.046 1258 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 1258 Q C 2.226 178.172 176.000 -0.091 0.000 0.975 1258 Q CA 1.854 57.592 55.803 -0.109 0.000 0.836 1258 Q CB -0.199 28.490 28.738 -0.081 0.000 0.896 1258 Q HN 0.553 nan 8.270 nan 0.000 0.428 1259 K N 0.796 121.134 120.400 -0.104 0.000 2.063 1259 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 1259 K C 2.137 178.696 176.600 -0.069 0.000 1.048 1259 K CA 0.964 57.210 56.287 -0.068 0.000 0.928 1259 K CB -0.284 32.164 32.500 -0.086 0.000 0.713 1259 K HN 0.173 nan 8.250 nan 0.000 0.442 1260 L N 1.132 122.274 121.223 -0.135 0.000 2.043 1260 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 1260 L C 1.966 178.804 176.870 -0.054 0.000 1.075 1260 L CA 1.230 55.998 54.840 -0.119 0.000 0.752 1260 L CB -0.052 41.887 42.059 -0.201 0.000 0.891 1260 L HN -0.000 nan 8.230 nan 0.000 0.432 1261 V N -0.726 119.153 119.914 -0.057 0.000 3.217 1261 V HA -0.042 4.078 4.120 -0.000 0.000 0.264 1261 V C 2.323 178.419 176.094 0.004 0.000 1.135 1261 V CA 1.158 63.442 62.300 -0.027 0.000 1.142 1261 V CB -0.436 31.361 31.823 -0.042 0.000 0.754 1261 V HN 0.593 nan 8.190 nan 0.000 0.484 1262 G N 0.115 108.929 108.800 0.024 0.000 2.404 1262 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 1262 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 1262 G C 1.571 176.598 174.900 0.213 0.000 1.189 1262 G CA 0.751 45.900 45.100 0.082 0.000 0.796 1262 G HN 0.457 nan 8.290 nan 0.000 0.532 1263 K N 0.086 120.603 120.400 0.196 0.000 2.026 1263 K HA 0.058 4.378 4.320 -0.000 0.000 0.208 1263 K C 2.507 179.241 176.600 0.223 0.000 1.048 1263 K CA 0.869 57.299 56.287 0.237 0.000 0.929 1263 K CB -0.336 32.194 32.500 0.049 0.000 0.713 1263 K HN 0.281 nan 8.250 nan 0.000 0.439 1264 L N 1.422 122.712 121.223 0.112 0.000 2.129 1264 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 1264 L C 2.343 179.275 176.870 0.104 0.000 1.087 1264 L CA 1.506 56.396 54.840 0.084 0.000 0.757 1264 L CB -0.597 41.485 42.059 0.037 0.000 0.896 1264 L HN 0.425 nan 8.230 nan 0.000 0.434 1265 N N -0.567 118.194 118.700 0.101 0.000 2.058 1265 N HA -0.267 4.473 4.740 -0.000 0.000 0.191 1265 N C 1.836 177.406 175.510 0.101 0.000 1.037 1265 N CA 1.542 54.617 53.050 0.043 0.000 0.848 1265 N CB -0.260 38.200 38.487 -0.045 0.000 1.021 1265 N HN 0.259 nan 8.380 nan 0.000 0.422 1266 W N 1.181 122.511 121.300 0.050 0.000 2.317 1266 W HA -0.099 4.561 4.660 -0.000 0.000 0.318 1266 W C 1.997 178.614 176.519 0.163 0.000 1.227 1266 W CA 1.889 59.316 57.345 0.136 0.000 1.269 1266 W CB -1.174 28.406 29.460 0.199 0.000 1.155 1266 W HN 0.255 nan 8.180 nan 0.000 0.484 1267 A N -0.133 122.905 122.820 0.364 0.000 2.310 1267 A HA -0.095 4.225 4.320 -0.000 0.000 0.206 1267 A C 1.866 179.504 177.584 0.091 0.000 1.253 1267 A CA 1.847 53.942 52.037 0.098 0.000 0.768 1267 A CB -0.518 18.476 19.000 -0.010 0.000 0.755 1267 A HN 0.226 nan 8.150 nan 0.000 0.505 1268 S N -1.133 114.643 115.700 0.126 0.000 2.545 1268 S HA -0.012 4.458 4.470 -0.000 0.000 0.232 1268 S C 1.527 176.181 174.600 0.090 0.000 1.070 1268 S CA 0.123 58.377 58.200 0.090 0.000 0.923 1268 S CB -0.056 63.172 63.200 0.046 0.000 0.806 1268 S HN 0.746 nan 8.310 nan 0.000 0.506 1269 Q N 0.685 120.536 119.800 0.085 0.000 2.557 1269 Q HA 0.248 4.588 4.340 -0.000 0.000 0.217 1269 Q C 0.024 176.096 176.000 0.120 0.000 0.978 1269 Q CA 0.526 56.355 55.803 0.044 0.000 0.950 1269 Q CB 0.037 28.739 28.738 -0.060 0.000 0.991 1269 Q HN 0.509 nan 8.270 nan 0.000 0.533 1270 I N -2.781 117.902 120.570 0.188 0.000 3.021 1270 I HA 0.058 4.228 4.170 -0.000 0.000 0.305 1270 I C -1.392 174.965 176.117 0.400 0.000 1.434 1270 I CA -1.016 60.444 61.300 0.266 0.000 0.969 1270 I CB 1.409 39.615 38.000 0.343 0.000 1.328 1270 I HN 0.081 nan 8.210 nan 0.000 0.486 1271 Y N 2.303 122.601 120.300 -0.003 0.000 3.091 1271 Y HA -0.114 4.436 4.550 -0.000 0.000 0.189 1271 Y C -2.219 173.693 175.900 0.019 0.000 1.520 1271 Y CA -0.079 58.023 58.100 0.003 0.000 1.121 1271 Y CB -2.320 36.132 38.460 -0.014 0.000 1.411 1271 Y HN 0.307 nan 8.280 nan 0.000 0.459 1272 P HA 0.212 nan 4.420 nan 0.000 0.260 1272 P C 1.186 178.523 177.300 0.063 0.000 1.172 1272 P CA 1.927 65.078 63.100 0.086 0.000 0.760 1272 P CB 1.144 32.885 31.700 0.068 0.000 0.773 1273 G N 3.095 111.926 108.800 0.051 0.000 2.296 1273 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.188 1273 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.188 1273 G C 0.134 175.058 174.900 0.040 0.000 1.000 1273 G CA -0.538 44.582 45.100 0.032 0.000 0.672 1273 G HN 0.470 nan 8.290 nan 0.000 0.483 1274 I N 2.162 122.767 120.570 0.058 0.000 2.691 1274 I HA 0.152 4.322 4.170 -0.000 0.000 0.288 1274 I C 0.831 176.968 176.117 0.033 0.000 1.143 1274 I CA 0.123 61.453 61.300 0.050 0.000 1.364 1274 I CB 0.234 38.268 38.000 0.057 0.000 1.435 1274 I HN 0.182 nan 8.210 nan 0.000 0.551 1275 K N 6.493 126.908 120.400 0.026 0.000 2.316 1275 K HA 0.241 4.561 4.320 -0.000 0.000 0.289 1275 K C 0.584 177.194 176.600 0.017 0.000 1.070 1275 K CA -0.219 56.079 56.287 0.018 0.000 0.928 1275 K CB 0.694 33.203 32.500 0.015 0.000 1.039 1275 K HN 0.458 nan 8.250 nan 0.000 0.480 1276 V N 1.992 121.913 119.914 0.012 0.000 3.252 1276 V HA 0.318 4.438 4.120 -0.000 0.000 0.320 1276 V C 1.538 177.634 176.094 0.003 0.000 1.459 1276 V CA -0.120 62.186 62.300 0.009 0.000 1.095 1276 V CB 0.031 31.860 31.823 0.009 0.000 0.997 1276 V HN 0.779 nan 8.190 nan 0.000 0.469 1277 R N 0.766 121.268 120.500 0.003 0.000 2.073 1277 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 1277 R C 2.292 178.593 176.300 0.001 0.000 1.134 1277 R CA 2.540 58.640 56.100 -0.000 0.000 0.952 1277 R CB -0.213 30.087 30.300 -0.000 0.000 0.850 1277 R HN 0.700 nan 8.270 nan 0.000 0.433 1278 Q N -0.130 119.674 119.800 0.005 0.000 2.046 1278 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 1278 Q C 2.029 178.035 176.000 0.009 0.000 0.975 1278 Q CA 1.252 57.060 55.803 0.008 0.000 0.836 1278 Q CB -0.152 28.593 28.738 0.012 0.000 0.896 1278 Q HN 0.231 nan 8.270 nan 0.000 0.428 1279 L N 0.311 121.541 121.223 0.010 0.000 2.362 1279 L HA -0.030 4.310 4.340 -0.000 0.000 0.219 1279 L C 0.958 177.825 176.870 -0.005 0.000 1.134 1279 L CA 0.791 55.637 54.840 0.009 0.000 0.807 1279 L CB -0.226 41.840 42.059 0.012 0.000 0.927 1279 L HN 0.276 nan 8.230 nan 0.000 0.447 1280 C N -0.390 118.906 119.300 -0.007 0.000 2.403 1280 C HA 0.255 4.715 4.460 -0.000 0.000 0.361 1280 C C 1.948 176.930 174.990 -0.012 0.000 1.274 1280 C CA -0.276 58.733 59.018 -0.015 0.000 2.433 1280 C CB 0.612 28.343 27.740 -0.015 0.000 2.323 1280 C HN 0.726 nan 8.230 nan 0.000 0.614 1281 K N 0.255 120.645 120.400 -0.016 0.000 3.363 1281 K HA -0.254 4.066 4.320 -0.000 0.000 0.313 1281 K C -0.470 176.124 176.600 -0.010 0.000 1.259 1281 K CA 0.764 57.043 56.287 -0.013 0.000 0.942 1281 K CB -1.205 31.289 32.500 -0.010 0.000 1.229 1281 K HN 0.637 nan 8.250 nan 0.000 0.440 1282 L N 1.621 122.837 121.223 -0.011 0.000 2.380 1282 L HA 0.200 4.540 4.340 -0.000 0.000 0.273 1282 L C 0.714 177.578 176.870 -0.010 0.000 1.138 1282 L CA 0.555 55.391 54.840 -0.006 0.000 0.832 1282 L CB 0.579 42.635 42.059 -0.005 0.000 1.124 1282 L HN 0.254 nan 8.230 nan 0.000 0.454 1283 L N 4.436 125.658 121.223 -0.001 0.000 4.191 1283 L HA -0.327 4.013 4.340 -0.000 0.000 0.480 1283 L C 0.747 177.610 176.870 -0.011 0.000 1.095 1283 L CA 0.225 55.064 54.840 -0.002 0.000 0.747 1283 L CB -1.483 40.578 42.059 0.004 0.000 1.700 1283 L HN 0.647 nan 8.230 nan 0.000 0.835 1284 R N 0.176 120.669 120.500 -0.012 0.000 2.716 1284 R HA 0.726 5.066 4.340 -0.000 0.000 0.202 1284 R C 1.361 177.654 176.300 -0.012 0.000 1.114 1284 R CA 0.393 56.484 56.100 -0.016 0.000 1.084 1284 R CB -0.365 29.925 30.300 -0.017 0.000 1.282 1284 R HN 0.298 nan 8.270 nan 0.000 0.506 1285 G N -1.264 107.528 108.800 -0.013 0.000 2.955 1285 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.230 1285 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.230 1285 G C -0.540 174.353 174.900 -0.012 0.000 1.587 1285 G CA 0.137 45.231 45.100 -0.011 0.000 1.216 1285 G HN 0.508 nan 8.290 nan 0.000 0.527 1286 T N 1.648 116.196 114.554 -0.011 0.000 4.481 1286 T HA 0.341 4.691 4.350 -0.000 0.000 0.211 1286 T C -0.259 174.435 174.700 -0.009 0.000 0.923 1286 T CA -0.242 61.851 62.100 -0.011 0.000 1.441 1286 T CB 0.367 69.229 68.868 -0.009 0.000 0.771 1286 T HN 0.624 nan 8.240 nan 0.000 0.586 1287 K N 1.309 121.702 120.400 -0.011 0.000 2.090 1287 K HA 0.800 5.120 4.320 -0.000 0.000 0.250 1287 K C 0.524 177.118 176.600 -0.010 0.000 1.004 1287 K CA -0.765 55.517 56.287 -0.008 0.000 0.919 1287 K CB 0.963 33.458 32.500 -0.008 0.000 1.045 1287 K HN 0.391 nan 8.250 nan 0.000 0.471 1288 A N 1.928 124.744 122.820 -0.006 0.000 2.440 1288 A HA 0.085 4.405 4.320 -0.000 0.000 0.251 1288 A C 1.266 178.844 177.584 -0.010 0.000 1.089 1288 A CA -0.214 51.819 52.037 -0.006 0.000 0.779 1288 A CB -0.148 18.850 19.000 -0.002 0.000 1.022 1288 A HN 0.823 nan 8.150 nan 0.000 0.492 1289 L N 1.958 123.174 121.223 -0.013 0.000 2.137 1289 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 1289 L C 2.603 179.464 176.870 -0.015 0.000 1.085 1289 L CA 1.993 56.822 54.840 -0.019 0.000 0.760 1289 L CB -0.675 41.373 42.059 -0.018 0.000 0.893 1289 L HN 0.904 nan 8.230 nan 0.000 0.434 1290 T N -1.492 113.059 114.554 -0.005 0.000 2.668 1290 T HA -0.213 4.136 4.350 -0.000 0.000 0.262 1290 T C 0.782 175.487 174.700 0.010 0.000 1.045 1290 T CA 0.243 62.345 62.100 0.003 0.000 1.152 1290 T CB -0.256 68.616 68.868 0.007 0.000 0.864 1290 T HN 0.333 nan 8.240 nan 0.000 0.419 1291 E N 2.531 122.737 120.200 0.009 0.000 3.622 1291 E HA -0.115 4.235 4.350 -0.000 0.000 0.240 1291 E C -0.091 176.524 176.600 0.026 0.000 0.889 1291 E CA -0.413 55.996 56.400 0.015 0.000 0.938 1291 E CB -0.119 29.586 29.700 0.008 0.000 0.871 1291 E HN 0.179 nan 8.360 nan 0.000 0.576 1292 V N 6.652 126.591 119.914 0.041 0.000 2.872 1292 V HA 0.086 4.206 4.120 -0.000 0.000 0.307 1292 V C 0.342 176.480 176.094 0.072 0.000 1.072 1292 V CA -0.040 62.303 62.300 0.071 0.000 1.148 1292 V CB 0.597 32.465 31.823 0.075 0.000 0.954 1292 V HN 0.535 nan 8.190 nan 0.000 0.490 1293 I N 3.723 124.360 120.570 0.112 0.000 2.957 1293 I HA 0.711 4.881 4.170 -0.000 0.000 0.310 1293 I C -2.401 173.795 176.117 0.132 0.000 1.063 1293 I CA -2.424 58.936 61.300 0.101 0.000 1.033 1293 I CB 0.333 38.379 38.000 0.075 0.000 1.230 1293 I HN 0.412 nan 8.210 nan 0.000 0.447 1294 P HA 0.445 nan 4.420 nan 0.000 0.309 1294 P C -0.759 176.610 177.300 0.116 0.000 1.423 1294 P CA -0.037 63.111 63.100 0.081 0.000 0.814 1294 P CB 0.320 32.051 31.700 0.053 0.000 1.900 1295 L N -3.858 117.416 121.223 0.085 0.000 2.794 1295 L HA 0.328 4.668 4.340 -0.000 0.000 0.261 1295 L C -0.869 176.036 176.870 0.060 0.000 0.989 1295 L CA -0.648 54.248 54.840 0.093 0.000 0.900 1295 L CB 2.079 44.170 42.059 0.054 0.000 1.473 1295 L HN 0.170 nan 8.230 nan 0.000 0.414 1296 T N -1.235 113.355 114.554 0.061 0.000 2.927 1296 T HA 0.284 4.634 4.350 -0.000 0.000 0.286 1296 T C 0.473 175.193 174.700 0.032 0.000 1.040 1296 T CA -0.561 61.563 62.100 0.040 0.000 1.010 1296 T CB 2.008 70.900 68.868 0.039 0.000 1.177 1296 T HN 0.756 nan 8.240 nan 0.000 0.546 1297 E N 0.799 121.013 120.200 0.023 0.000 2.364 1297 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 1297 E C 1.443 178.054 176.600 0.019 0.000 0.990 1297 E CA 0.610 57.021 56.400 0.018 0.000 0.886 1297 E CB -0.099 29.608 29.700 0.012 0.000 0.866 1297 E HN 0.908 nan 8.360 nan 0.000 0.493 1298 E N 1.392 121.604 120.200 0.020 0.000 2.112 1298 E HA 0.029 4.379 4.350 -0.000 0.000 0.190 1298 E C 2.022 178.637 176.600 0.026 0.000 0.979 1298 E CA 0.885 57.297 56.400 0.019 0.000 0.814 1298 E CB -0.155 29.555 29.700 0.016 0.000 0.762 1298 E HN 0.181 nan 8.360 nan 0.000 0.460 1299 A N 2.144 124.984 122.820 0.034 0.000 1.841 1299 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 1299 A C 2.161 179.776 177.584 0.053 0.000 1.195 1299 A CA 1.385 53.452 52.037 0.049 0.000 0.611 1299 A CB -0.483 18.557 19.000 0.068 0.000 0.835 1299 A HN 0.142 nan 8.150 nan 0.000 0.443 1300 E N -0.410 119.819 120.200 0.048 0.000 2.169 1300 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 1300 E C 1.893 178.510 176.600 0.030 0.000 1.016 1300 E CA 1.601 58.023 56.400 0.037 0.000 0.817 1300 E CB -0.543 29.169 29.700 0.020 0.000 0.736 1300 E HN 0.547 nan 8.360 nan 0.000 0.462 1301 L N 0.791 122.029 121.223 0.025 0.000 2.240 1301 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 1301 L C 2.084 178.968 176.870 0.024 0.000 1.106 1301 L CA 1.640 56.492 54.840 0.021 0.000 0.793 1301 L CB -0.156 41.913 42.059 0.016 0.000 0.927 1301 L HN 0.001 nan 8.230 nan 0.000 0.446 1302 E N -0.921 119.296 120.200 0.028 0.000 2.112 1302 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 1302 E C 2.097 178.718 176.600 0.033 0.000 0.979 1302 E CA 0.734 57.151 56.400 0.028 0.000 0.814 1302 E CB 0.021 29.738 29.700 0.027 0.000 0.762 1302 E HN 0.399 nan 8.360 nan 0.000 0.460 1303 L N 0.925 122.175 121.223 0.044 0.000 1.970 1303 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 1303 L C 2.396 179.289 176.870 0.038 0.000 1.071 1303 L CA 2.236 57.106 54.840 0.051 0.000 0.751 1303 L CB -0.905 41.200 42.059 0.077 0.000 0.889 1303 L HN 0.160 nan 8.230 nan 0.000 0.432 1304 A N -1.387 121.453 122.820 0.033 0.000 1.873 1304 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 1304 A C 2.321 179.920 177.584 0.025 0.000 1.186 1304 A CA 1.665 53.717 52.037 0.025 0.000 0.616 1304 A CB -0.634 18.377 19.000 0.019 0.000 0.823 1304 A HN 0.475 nan 8.150 nan 0.000 0.442 1305 E N -0.270 119.944 120.200 0.024 0.000 2.085 1305 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 1305 E C 1.820 178.437 176.600 0.029 0.000 0.994 1305 E CA 1.669 58.083 56.400 0.024 0.000 0.801 1305 E CB -0.124 29.588 29.700 0.021 0.000 0.743 1305 E HN 0.714 nan 8.360 nan 0.000 0.453 1306 N N -0.048 118.669 118.700 0.030 0.000 2.132 1306 N HA -0.143 4.597 4.740 -0.000 0.000 0.187 1306 N C 1.811 177.342 175.510 0.036 0.000 1.038 1306 N CA 1.480 54.550 53.050 0.034 0.000 0.846 1306 N CB -0.278 38.226 38.487 0.029 0.000 1.012 1306 N HN 0.174 nan 8.380 nan 0.000 0.429 1307 R N 1.218 121.735 120.500 0.028 0.000 2.133 1307 R HA -0.179 4.161 4.340 -0.000 0.000 0.247 1307 R C 1.790 178.113 176.300 0.039 0.000 1.151 1307 R CA 1.652 57.766 56.100 0.025 0.000 0.971 1307 R CB -0.600 29.711 30.300 0.018 0.000 0.866 1307 R HN 0.387 nan 8.270 nan 0.000 0.447 1308 E N 1.240 121.463 120.200 0.039 0.000 2.160 1308 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 1308 E C 1.921 178.557 176.600 0.061 0.000 0.991 1308 E CA 1.400 57.826 56.400 0.043 0.000 0.810 1308 E CB -0.032 29.688 29.700 0.034 0.000 0.742 1308 E HN 0.578 nan 8.360 nan 0.000 0.466 1309 I N 0.643 121.256 120.570 0.072 0.000 2.617 1309 I HA -0.193 3.977 4.170 -0.000 0.000 0.256 1309 I C 2.092 178.320 176.117 0.185 0.000 1.167 1309 I CA 0.437 61.800 61.300 0.106 0.000 1.469 1309 I CB -0.045 38.017 38.000 0.103 0.000 1.098 1309 I HN 0.143 nan 8.210 nan 0.000 0.436 1310 L N 0.585 121.895 121.223 0.143 0.000 2.395 1310 L HA -0.086 4.254 4.340 -0.000 0.000 0.218 1310 L C 2.483 179.463 176.870 0.183 0.000 1.130 1310 L CA 0.773 55.705 54.840 0.153 0.000 0.826 1310 L CB -0.407 41.650 42.059 -0.003 0.000 0.941 1310 L HN 0.201 nan 8.230 nan 0.000 0.451 1311 K N 0.552 121.027 120.400 0.126 0.000 2.076 1311 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 1311 K C 0.648 177.312 176.600 0.107 0.000 1.051 1311 K CA 0.664 57.012 56.287 0.102 0.000 0.949 1311 K CB 0.327 32.868 32.500 0.068 0.000 0.726 1311 K HN 0.067 nan 8.250 nan 0.000 0.443 1312 E N 1.461 121.718 120.200 0.095 0.000 2.391 1312 E HA 0.111 4.461 4.350 -0.000 0.000 0.255 1312 E C -2.347 174.256 176.600 0.004 0.000 1.187 1312 E CA -1.932 54.499 56.400 0.051 0.000 0.941 1312 E CB 0.327 30.050 29.700 0.039 0.000 1.010 1312 E HN 0.211 nan 8.360 nan 0.000 0.458 1313 P HA 0.062 nan 4.420 nan 0.000 0.277 1313 P C -0.675 176.457 177.300 -0.279 0.000 1.240 1313 P CA -0.362 62.639 63.100 -0.165 0.000 0.798 1313 P CB 0.632 32.261 31.700 -0.117 0.000 0.979 1314 V N 3.657 123.283 119.914 -0.480 0.000 2.493 1314 V HA -0.062 4.058 4.120 -0.000 0.000 0.292 1314 V C 1.301 177.254 176.094 -0.235 0.000 1.016 1314 V CA 0.202 62.214 62.300 -0.479 0.000 1.097 1314 V CB -1.157 30.356 31.823 -0.516 0.000 0.947 1314 V HN 0.650 nan 8.190 nan 0.000 0.479 1315 H N 4.275 123.227 119.070 -0.197 0.000 2.732 1315 H HA 0.325 4.881 4.556 -0.000 0.000 0.351 1315 H C 1.193 176.463 175.328 -0.096 0.000 1.090 1315 H CA 1.030 57.004 56.048 -0.124 0.000 1.431 1315 H CB 1.264 30.994 29.762 -0.053 0.000 1.447 1315 H HN 0.885 nan 8.280 nan 0.000 0.582 1316 G N 3.317 111.782 108.800 -0.559 0.000 2.234 1316 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.235 1316 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.235 1316 G C 0.172 175.017 174.900 -0.091 0.000 0.997 1316 G CA 0.230 45.209 45.100 -0.202 0.000 0.623 1316 G HN 0.893 nan 8.290 nan 0.000 0.514 1317 V N -1.532 118.215 119.914 -0.278 0.000 2.439 1317 V HA 0.864 4.984 4.120 -0.000 0.000 0.282 1317 V C -0.361 175.466 176.094 -0.445 0.000 1.039 1317 V CA -1.417 60.754 62.300 -0.215 0.000 0.913 1317 V CB 0.949 32.664 31.823 -0.181 0.000 0.983 1317 V HN 0.380 nan 8.190 nan 0.000 0.460 1318 Y N 3.122 123.400 120.300 -0.036 0.000 2.492 1318 Y HA 0.486 5.036 4.550 -0.000 0.000 0.346 1318 Y C -0.345 175.572 175.900 0.028 0.000 0.997 1318 Y CA -0.979 57.125 58.100 0.007 0.000 1.025 1318 Y CB 1.857 40.307 38.460 -0.016 0.000 1.263 1318 Y HN 0.815 nan 8.280 nan 0.000 0.454 1319 Y N 2.424 122.785 120.300 0.102 0.000 2.597 1319 Y HA 0.167 4.717 4.550 -0.000 0.000 0.336 1319 Y C -0.254 175.653 175.900 0.013 0.000 1.216 1319 Y CA -0.092 58.008 58.100 -0.001 0.000 1.463 1319 Y CB 0.552 39.048 38.460 0.060 0.000 1.303 1319 Y HN 0.619 nan 8.280 nan 0.000 0.576 1320 D N 7.876 127.789 120.400 -0.811 0.000 2.446 1320 D HA 0.350 4.990 4.640 -0.000 0.000 0.251 1320 D C -2.184 173.568 176.300 -0.914 0.000 1.137 1320 D CA -2.472 51.147 54.000 -0.634 0.000 0.890 1320 D CB 1.593 42.201 40.800 -0.321 0.000 1.071 1320 D HN 0.286 nan 8.370 nan 0.000 0.528 1321 P HA -0.202 nan 4.420 nan 0.000 0.219 1321 P C 0.968 178.138 177.300 -0.216 0.000 1.145 1321 P CA 1.217 64.082 63.100 -0.391 0.000 0.813 1321 P CB 0.222 31.864 31.700 -0.096 0.000 0.771 1322 S N -3.175 112.394 115.700 -0.218 0.000 2.503 1322 S HA 0.103 4.573 4.470 -0.000 0.000 0.217 1322 S C 0.838 175.363 174.600 -0.124 0.000 0.999 1322 S CA 0.106 58.228 58.200 -0.131 0.000 0.914 1322 S CB -0.255 62.881 63.200 -0.106 0.000 0.782 1322 S HN 0.070 nan 8.310 nan 0.000 0.520 1323 K N 1.468 121.759 120.400 -0.181 0.000 2.095 1323 K HA 0.393 4.713 4.320 -0.000 0.000 0.252 1323 K C -1.011 175.520 176.600 -0.115 0.000 0.977 1323 K CA -0.785 55.420 56.287 -0.136 0.000 0.900 1323 K CB 0.519 32.932 32.500 -0.145 0.000 1.060 1323 K HN 0.133 nan 8.250 nan 0.000 0.449 1324 D N 1.289 121.642 120.400 -0.078 0.000 2.344 1324 D HA 0.202 4.841 4.640 -0.000 0.000 0.244 1324 D C -0.116 176.112 176.300 -0.120 0.000 1.134 1324 D CA -0.069 53.890 54.000 -0.069 0.000 0.930 1324 D CB 0.764 41.532 40.800 -0.054 0.000 1.175 1324 D HN 0.180 nan 8.370 nan 0.000 0.437 1325 L N 1.436 122.567 121.223 -0.154 0.000 2.322 1325 L HA 0.504 4.844 4.340 -0.000 0.000 0.279 1325 L C -0.034 176.636 176.870 -0.333 0.000 1.036 1325 L CA -0.659 54.012 54.840 -0.281 0.000 0.807 1325 L CB 1.162 43.019 42.059 -0.337 0.000 1.226 1325 L HN 0.138 nan 8.230 nan 0.000 0.433 1326 I N 2.008 122.290 120.570 -0.480 0.000 2.545 1326 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 1326 I C -0.367 175.291 176.117 -0.765 0.000 1.040 1326 I CA -0.577 60.369 61.300 -0.590 0.000 1.068 1326 I CB 2.183 39.823 38.000 -0.599 0.000 1.251 1326 I HN 0.598 nan 8.210 nan 0.000 0.424 1327 A N 5.236 127.638 122.820 -0.698 0.000 2.318 1327 A HA 0.647 4.967 4.320 -0.000 0.000 0.317 1327 A C -0.783 176.586 177.584 -0.359 0.000 1.159 1327 A CA -0.449 51.213 52.037 -0.624 0.000 0.799 1327 A CB 1.218 19.538 19.000 -1.133 0.000 1.194 1327 A HN 0.761 nan 8.150 nan 0.000 0.479 1328 E N 2.319 122.422 120.200 -0.162 0.000 2.210 1328 E HA 0.634 4.984 4.350 -0.000 0.000 0.266 1328 E C -1.532 175.142 176.600 0.124 0.000 0.883 1328 E CA -0.429 55.975 56.400 0.006 0.000 0.761 1328 E CB 1.337 31.081 29.700 0.075 0.000 1.156 1328 E HN 0.646 nan 8.360 nan 0.000 0.412 1329 I N 3.460 124.122 120.570 0.153 0.000 2.465 1329 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 1329 I C -0.790 175.462 176.117 0.225 0.000 1.014 1329 I CA -0.773 60.663 61.300 0.227 0.000 1.093 1329 I CB 1.943 40.073 38.000 0.218 0.000 1.267 1329 I HN 0.406 nan 8.210 nan 0.000 0.431 1330 Q N 4.667 124.595 119.800 0.212 0.000 2.306 1330 Q HA 0.423 4.763 4.340 -0.000 0.000 0.265 1330 Q C -0.682 175.379 176.000 0.101 0.000 1.022 1330 Q CA -0.859 55.018 55.803 0.123 0.000 0.853 1330 Q CB 2.263 31.004 28.738 0.005 0.000 1.327 1330 Q HN 0.326 nan 8.270 nan 0.000 0.449 1331 K N 1.819 122.187 120.400 -0.054 0.000 2.285 1331 K HA 0.086 4.406 4.320 -0.000 0.000 0.286 1331 K C 0.029 176.348 176.600 -0.469 0.000 1.072 1331 K CA -0.106 55.861 56.287 -0.534 0.000 0.913 1331 K CB 0.635 32.837 32.500 -0.496 0.000 1.067 1331 K HN 0.543 nan 8.250 nan 0.000 0.479 1332 Q N 2.248 121.705 119.800 -0.573 0.000 2.392 1332 Q HA 0.120 4.460 4.340 -0.000 0.000 0.203 1332 Q C 0.326 176.091 176.000 -0.391 0.000 0.917 1332 Q CA 0.588 56.108 55.803 -0.471 0.000 0.939 1332 Q CB 0.761 29.144 28.738 -0.592 0.000 1.063 1332 Q HN 0.993 nan 8.270 nan 0.000 0.516 1333 G N 1.180 109.710 108.800 -0.450 0.000 2.785 1333 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 1333 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 1333 G C -0.612 174.129 174.900 -0.265 0.000 1.155 1333 G CA -0.237 44.679 45.100 -0.307 0.000 0.760 1333 G HN 0.233 nan 8.290 nan 0.000 0.624 1334 Q N -1.050 118.633 119.800 -0.195 0.000 2.470 1334 Q HA -0.062 4.278 4.340 -0.000 0.000 0.290 1334 Q C 1.600 177.514 176.000 -0.144 0.000 1.353 1334 Q CA 2.071 57.793 55.803 -0.135 0.000 0.787 1334 Q CB -1.502 27.176 28.738 -0.101 0.000 1.158 1334 Q HN 2.888 nan 8.270 nan 0.000 0.426 1335 G N -0.564 108.141 108.800 -0.158 0.000 2.166 1335 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 1335 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 1335 G C -0.017 174.800 174.900 -0.137 0.000 0.986 1335 G CA 0.634 45.695 45.100 -0.064 0.000 0.683 1335 G HN 0.351 nan 8.290 nan 0.000 0.527 1336 Q N -0.972 118.608 119.800 -0.367 0.000 2.257 1336 Q HA 0.562 4.902 4.340 -0.000 0.000 0.255 1336 Q C -0.674 174.964 176.000 -0.604 0.000 0.920 1336 Q CA -0.097 55.497 55.803 -0.349 0.000 0.927 1336 Q CB 1.133 29.663 28.738 -0.346 0.000 1.229 1336 Q HN 0.446 nan 8.270 nan 0.000 0.433 1337 W N 0.969 122.252 121.300 -0.028 0.000 2.957 1337 W HA 0.358 5.018 4.660 -0.000 0.000 0.336 1337 W C -0.224 176.325 176.519 0.049 0.000 1.087 1337 W CA -0.584 56.782 57.345 0.035 0.000 1.235 1337 W CB 1.647 31.204 29.460 0.162 0.000 1.399 1337 W HN 0.409 nan 8.180 nan 0.000 0.480 1338 T N 0.023 114.687 114.554 0.184 0.000 2.885 1338 T HA 0.814 5.164 4.350 -0.000 0.000 0.285 1338 T C -1.042 173.817 174.700 0.265 0.000 1.019 1338 T CA -0.666 61.501 62.100 0.113 0.000 1.010 1338 T CB 1.743 70.537 68.868 -0.124 0.000 1.022 1338 T HN 0.434 nan 8.240 nan 0.000 0.466 1339 Y N -0.453 119.898 120.300 0.085 0.000 2.644 1339 Y HA 0.842 5.392 4.550 -0.000 0.000 0.338 1339 Y C -1.485 174.454 175.900 0.065 0.000 1.119 1339 Y CA -1.545 56.600 58.100 0.075 0.000 1.060 1339 Y CB 1.390 39.893 38.460 0.071 0.000 1.294 1339 Y HN 0.629 nan 8.280 nan 0.000 0.472 1340 Q N 1.338 121.243 119.800 0.175 0.000 2.309 1340 Q HA 0.629 4.969 4.340 -0.000 0.000 0.273 1340 Q C -1.697 174.313 176.000 0.018 0.000 1.040 1340 Q CA -0.502 55.352 55.803 0.084 0.000 0.834 1340 Q CB 3.218 32.054 28.738 0.163 0.000 1.345 1340 Q HN 0.745 nan 8.270 nan 0.000 0.414 1341 I N 3.542 124.110 120.570 -0.003 0.000 2.362 1341 I HA 0.596 4.766 4.170 -0.000 0.000 0.289 1341 I C -1.178 174.830 176.117 -0.182 0.000 0.994 1341 I CA -0.984 60.195 61.300 -0.201 0.000 1.158 1341 I CB 0.638 38.586 38.000 -0.087 0.000 1.315 1341 I HN 0.657 nan 8.210 nan 0.000 0.451 1342 Y N 3.065 123.244 120.300 -0.203 0.000 2.638 1342 Y HA 0.457 5.007 4.550 -0.000 0.000 0.335 1342 Y C -0.249 175.541 175.900 -0.183 0.000 1.155 1342 Y CA -1.080 56.910 58.100 -0.184 0.000 1.046 1342 Y CB 1.006 39.392 38.460 -0.124 0.000 1.303 1342 Y HN 0.428 nan 8.280 nan 0.000 0.460 1343 Q N -0.258 119.621 119.800 0.131 0.000 2.423 1343 Q HA 0.256 4.595 4.340 -0.000 0.000 0.231 1343 Q C -0.613 175.474 176.000 0.145 0.000 0.894 1343 Q CA 0.336 56.169 55.803 0.050 0.000 0.938 1343 Q CB 0.980 29.676 28.738 -0.071 0.000 1.079 1343 Q HN 0.558 nan 8.270 nan 0.000 0.552 1344 E N 1.420 121.702 120.200 0.138 0.000 2.185 1344 E HA 0.313 4.663 4.350 -0.000 0.000 0.261 1344 E C -2.608 173.957 176.600 -0.059 0.000 0.879 1344 E CA -2.246 54.192 56.400 0.063 0.000 0.756 1344 E CB 1.736 31.450 29.700 0.023 0.000 1.152 1344 E HN -0.071 nan 8.360 nan 0.000 0.416 1345 P HA -0.166 nan 4.420 nan 0.000 0.265 1345 P C -0.459 176.782 177.300 -0.097 0.000 1.151 1345 P CA 0.685 63.581 63.100 -0.341 0.000 0.755 1345 P CB -0.051 31.703 31.700 0.090 0.000 0.756 1346 F N 0.790 120.416 119.950 -0.541 0.000 3.067 1346 F HA -0.233 4.294 4.527 -0.000 0.000 0.279 1346 F C 0.585 176.297 175.800 -0.147 0.000 0.945 1346 F CA 1.027 58.898 58.000 -0.216 0.000 0.948 1346 F CB -1.614 37.367 39.000 -0.032 0.000 0.898 1346 F HN 0.275 nan 8.300 nan 0.000 0.746 1347 K N 0.856 121.194 120.400 -0.104 0.000 2.895 1347 K HA 0.251 4.571 4.320 -0.000 0.000 0.191 1347 K C -0.481 176.108 176.600 -0.019 0.000 1.117 1347 K CA -0.412 55.849 56.287 -0.043 0.000 0.988 1347 K CB 0.597 33.083 32.500 -0.023 0.000 1.181 1347 K HN 0.019 nan 8.250 nan 0.000 0.598 1348 N N 2.872 121.554 118.700 -0.031 0.000 2.431 1348 N HA 0.092 4.832 4.740 -0.000 0.000 0.265 1348 N C 1.187 176.686 175.510 -0.018 0.000 1.184 1348 N CA -0.054 53.008 53.050 0.020 0.000 0.943 1348 N CB 1.140 39.642 38.487 0.026 0.000 1.080 1348 N HN 0.317 nan 8.380 nan 0.000 0.477 1349 L N 1.066 122.296 121.223 0.012 0.000 2.395 1349 L HA 0.101 4.441 4.340 -0.000 0.000 0.218 1349 L C 0.897 177.842 176.870 0.125 0.000 1.130 1349 L CA 0.746 55.609 54.840 0.037 0.000 0.826 1349 L CB 0.013 42.053 42.059 -0.032 0.000 0.941 1349 L HN 0.514 nan 8.230 nan 0.000 0.451 1350 K N -0.190 120.269 120.400 0.098 0.000 2.622 1350 K HA 0.185 4.505 4.320 -0.000 0.000 0.263 1350 K C -1.171 175.436 176.600 0.012 0.000 0.947 1350 K CA -0.271 56.077 56.287 0.100 0.000 0.885 1350 K CB 1.342 33.978 32.500 0.226 0.000 1.362 1350 K HN -0.054 nan 8.250 nan 0.000 0.413 1351 T N -0.201 114.310 114.554 -0.071 0.000 2.926 1351 T HA 0.950 5.300 4.350 -0.000 0.000 0.289 1351 T C 0.229 174.668 174.700 -0.434 0.000 1.054 1351 T CA -0.254 61.712 62.100 -0.223 0.000 1.015 1351 T CB 2.086 70.920 68.868 -0.057 0.000 1.167 1351 T HN 0.747 nan 8.240 nan 0.000 0.526 1352 G N -0.107 108.210 108.800 -0.805 0.000 2.561 1352 G HA2 0.601 4.561 3.960 -0.000 0.000 0.310 1352 G HA3 0.601 4.561 3.960 -0.000 0.000 0.310 1352 G C -1.866 172.804 174.900 -0.383 0.000 1.292 1352 G CA -0.881 43.820 45.100 -0.664 0.000 0.811 1352 G HN 0.878 nan 8.290 nan 0.000 0.482 1353 K N -1.872 118.577 120.400 0.080 0.000 2.399 1353 K HA 0.740 5.060 4.320 -0.000 0.000 0.260 1353 K C -2.242 174.637 176.600 0.466 0.000 1.049 1353 K CA -1.009 55.418 56.287 0.233 0.000 0.890 1353 K CB 2.518 35.078 32.500 0.100 0.000 1.430 1353 K HN 0.738 nan 8.250 nan 0.000 0.459 1354 Y N -0.246 120.188 120.300 0.222 0.000 2.337 1354 Y HA 0.498 5.048 4.550 -0.000 0.000 0.318 1354 Y C -2.023 174.009 175.900 0.220 0.000 1.258 1354 Y CA -0.211 58.009 58.100 0.201 0.000 1.132 1354 Y CB 1.204 39.771 38.460 0.178 0.000 1.307 1354 Y HN 0.776 nan 8.280 nan 0.000 0.428 1355 A N 4.688 127.208 122.820 -0.501 0.000 2.533 1355 A HA 0.995 5.315 4.320 -0.000 0.000 0.293 1355 A C -0.636 176.689 177.584 -0.431 0.000 1.228 1355 A CA -0.505 51.343 52.037 -0.316 0.000 0.689 1355 A CB 1.614 20.532 19.000 -0.138 0.000 1.303 1355 A HN 0.863 nan 8.150 nan 0.000 0.444 1363 N N 2.178 120.797 118.700 -0.134 0.000 2.515 1363 N HA 0.244 4.984 4.740 -0.000 0.000 0.279 1363 N C 0.350 175.822 175.510 -0.063 0.000 1.164 1363 N CA 0.099 53.066 53.050 -0.140 0.000 0.982 1363 N CB 0.834 39.162 38.487 -0.265 0.000 1.170 1363 N HN -0.011 nan 8.380 nan 0.000 0.474 1364 D N 1.632 122.046 120.400 0.024 0.000 2.144 1364 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 1364 D C 1.592 177.945 176.300 0.088 0.000 0.978 1364 D CA 1.039 55.157 54.000 0.196 0.000 0.833 1364 D CB 0.075 41.021 40.800 0.242 0.000 0.961 1364 D HN 0.363 nan 8.370 nan 0.000 0.470 1365 V N 1.229 121.136 119.914 -0.012 0.000 2.427 1365 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 1365 V C 2.460 178.449 176.094 -0.177 0.000 1.051 1365 V CA 1.097 63.388 62.300 -0.015 0.000 1.048 1365 V CB -0.356 31.476 31.823 0.014 0.000 0.666 1365 V HN 0.119 nan 8.190 nan 0.000 0.456 1366 K N 0.194 120.329 120.400 -0.440 0.000 2.097 1366 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 1366 K C 2.141 178.538 176.600 -0.339 0.000 1.049 1366 K CA 1.718 57.541 56.287 -0.773 0.000 0.933 1366 K CB -0.096 31.831 32.500 -0.956 0.000 0.717 1366 K HN 0.563 nan 8.250 nan 0.000 0.442 1367 Q N -0.024 119.657 119.800 -0.198 0.000 2.096 1367 Q HA -0.089 4.251 4.340 -0.000 0.000 0.197 1367 Q C 2.038 177.773 176.000 -0.442 0.000 0.964 1367 Q CA 0.716 56.438 55.803 -0.135 0.000 0.838 1367 Q CB -0.077 28.732 28.738 0.117 0.000 0.906 1367 Q HN 0.113 nan 8.270 nan 0.000 0.444 1368 L N 0.957 121.815 121.223 -0.608 0.000 2.012 1368 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 1368 L C 2.507 179.230 176.870 -0.245 0.000 1.073 1368 L CA 2.592 57.026 54.840 -0.676 0.000 0.748 1368 L CB -1.138 40.677 42.059 -0.408 0.000 0.891 1368 L HN 0.374 nan 8.230 nan 0.000 0.431 1369 T N -3.532 111.039 114.554 0.028 0.000 2.821 1369 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 1369 T C 1.779 176.446 174.700 -0.055 0.000 1.046 1369 T CA 1.464 63.702 62.100 0.230 0.000 1.139 1369 T CB -0.449 68.585 68.868 0.277 0.000 0.871 1369 T HN 0.496 nan 8.240 nan 0.000 0.454 1370 E N 1.047 121.127 120.200 -0.200 0.000 2.038 1370 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 1370 E C 2.615 178.855 176.600 -0.600 0.000 1.000 1370 E CA 1.201 57.413 56.400 -0.313 0.000 0.803 1370 E CB -0.475 29.127 29.700 -0.164 0.000 0.750 1370 E HN 0.686 nan 8.360 nan 0.000 0.448 1371 A N 0.424 122.721 122.820 -0.871 0.000 1.908 1371 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 1371 A C 2.437 179.699 177.584 -0.536 0.000 1.181 1371 A CA 1.434 52.874 52.037 -0.994 0.000 0.627 1371 A CB -0.766 17.753 19.000 -0.801 0.000 0.818 1371 A HN 0.178 nan 8.150 nan 0.000 0.445 1372 V N -0.021 119.649 119.914 -0.406 0.000 2.255 1372 V HA -0.368 3.752 4.120 -0.000 0.000 0.247 1372 V C 2.706 178.693 176.094 -0.179 0.000 1.051 1372 V CA 2.471 64.504 62.300 -0.446 0.000 1.018 1372 V CB -0.941 30.604 31.823 -0.462 0.000 0.641 1372 V HN 0.687 nan 8.190 nan 0.000 0.445 1373 Q N -0.341 119.366 119.800 -0.156 0.000 2.084 1373 Q HA -0.270 4.070 4.340 -0.000 0.000 0.202 1373 Q C 2.365 178.405 176.000 0.068 0.000 0.978 1373 Q CA 1.931 57.747 55.803 0.023 0.000 0.844 1373 Q CB -0.300 28.230 28.738 -0.348 0.000 0.898 1373 Q HN 0.603 nan 8.270 nan 0.000 0.426 1374 K N 1.155 121.474 120.400 -0.135 0.000 1.991 1374 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 1374 K C 2.012 178.530 176.600 -0.137 0.000 1.049 1374 K CA 1.488 57.707 56.287 -0.114 0.000 0.932 1374 K CB -0.186 32.167 32.500 -0.246 0.000 0.717 1374 K HN 0.142 nan 8.250 nan 0.000 0.441 1375 I N 0.971 121.407 120.570 -0.222 0.000 2.163 1375 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 1375 I C 2.293 178.389 176.117 -0.036 0.000 1.085 1375 I CA 1.725 62.895 61.300 -0.217 0.000 1.347 1375 I CB -0.687 37.171 38.000 -0.237 0.000 1.044 1375 I HN 0.319 nan 8.210 nan 0.000 0.408 1376 T N -0.000 114.619 114.554 0.109 0.000 2.652 1376 T HA -0.203 4.146 4.350 -0.000 0.000 0.267 1376 T C 1.935 176.537 174.700 -0.163 0.000 1.039 1376 T CA 2.197 64.267 62.100 -0.049 0.000 1.153 1376 T CB -0.571 68.133 68.868 -0.273 0.000 0.863 1376 T HN 0.356 nan 8.240 nan 0.000 0.428 1377 T N 2.262 116.837 114.554 0.036 0.000 2.653 1377 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 1377 T C 1.969 176.689 174.700 0.034 0.000 1.035 1377 T CA 1.603 63.808 62.100 0.174 0.000 1.154 1377 T CB -0.410 68.683 68.868 0.375 0.000 0.862 1377 T HN 0.578 nan 8.240 nan 0.000 0.441 1378 E N 0.688 120.809 120.200 -0.132 0.000 2.110 1378 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 1378 E C 2.606 179.050 176.600 -0.259 0.000 0.988 1378 E CA 1.095 57.270 56.400 -0.376 0.000 0.804 1378 E CB -0.208 29.002 29.700 -0.816 0.000 0.745 1378 E HN 0.315 nan 8.360 nan 0.000 0.458 1379 S N 0.889 116.483 115.700 -0.177 0.000 2.368 1379 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 1379 S C 2.032 176.510 174.600 -0.203 0.000 1.030 1379 S CA 0.742 58.895 58.200 -0.078 0.000 0.999 1379 S CB -0.145 63.122 63.200 0.111 0.000 0.844 1379 S HN 0.200 nan 8.310 nan 0.000 0.459 1380 I N 0.703 121.100 120.570 -0.289 0.000 2.226 1380 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 1380 I C 2.170 178.119 176.117 -0.279 0.000 1.100 1380 I CA 0.848 61.882 61.300 -0.443 0.000 1.374 1380 I CB -0.397 37.189 38.000 -0.691 0.000 1.057 1380 I HN 0.151 nan 8.210 nan 0.000 0.413 1381 V N 1.139 120.927 119.914 -0.209 0.000 2.295 1381 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 1381 V C 2.201 178.233 176.094 -0.104 0.000 1.049 1381 V CA 1.954 64.190 62.300 -0.105 0.000 1.024 1381 V CB -0.231 31.650 31.823 0.096 0.000 0.648 1381 V HN 0.292 nan 8.190 nan 0.000 0.447 1382 I N -1.619 118.734 120.570 -0.362 0.000 2.188 1382 I HA -0.153 4.017 4.170 -0.000 0.000 0.237 1382 I C 2.223 177.765 176.117 -0.959 0.000 1.073 1382 I CA 1.542 62.401 61.300 -0.735 0.000 1.359 1382 I CB -0.370 36.816 38.000 -1.356 0.000 1.083 1382 I HN 0.339 nan 8.210 nan 0.000 0.412 1383 W N 0.445 121.456 121.300 -0.482 0.000 2.942 1383 W HA 0.325 4.985 4.660 -0.000 0.000 0.263 1383 W C 1.528 177.551 176.519 -0.825 0.000 1.296 1383 W CA 0.841 57.718 57.345 -0.780 0.000 1.504 1383 W CB -0.738 28.220 29.460 -0.837 0.000 1.096 1383 W HN 0.418 nan 8.180 nan 0.000 0.639 1384 G N 1.908 110.394 108.800 -0.522 0.000 2.136 1384 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.242 1384 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.242 1384 G C 0.065 174.954 174.900 -0.019 0.000 0.989 1384 G CA 0.625 45.585 45.100 -0.233 0.000 0.682 1384 G HN 0.384 nan 8.290 nan 0.000 0.522 1385 K N -0.853 119.511 120.400 -0.060 0.000 2.527 1385 K HA 0.721 5.041 4.320 -0.000 0.000 0.260 1385 K C -0.123 176.450 176.600 -0.045 0.000 0.937 1385 K CA -0.461 55.854 56.287 0.047 0.000 0.826 1385 K CB 1.262 33.866 32.500 0.173 0.000 1.359 1385 K HN 0.451 nan 8.250 nan 0.000 0.434 1386 T N -0.393 114.136 114.554 -0.042 0.000 2.910 1386 T HA 0.480 4.830 4.350 -0.000 0.000 0.293 1386 T C -1.933 172.737 174.700 -0.050 0.000 1.015 1386 T CA -1.233 60.812 62.100 -0.092 0.000 1.094 1386 T CB 0.797 69.609 68.868 -0.095 0.000 0.968 1386 T HN 0.532 nan 8.240 nan 0.000 0.521 1387 P HA 0.368 nan 4.420 nan 0.000 0.284 1387 P C -1.181 175.980 177.300 -0.233 0.000 1.287 1387 P CA -0.925 62.021 63.100 -0.256 0.000 0.824 1387 P CB 1.085 32.508 31.700 -0.462 0.000 1.180 1388 K N 1.115 121.358 120.400 -0.261 0.000 2.240 1388 K HA 0.340 4.660 4.320 -0.000 0.000 0.271 1388 K C -1.071 175.391 176.600 -0.231 0.000 1.018 1388 K CA -0.561 55.651 56.287 -0.127 0.000 0.874 1388 K CB 0.183 32.624 32.500 -0.097 0.000 1.098 1388 K HN 0.213 nan 8.250 nan 0.000 0.458 1389 F N 3.174 123.067 119.950 -0.095 0.000 2.410 1389 F HA 0.252 4.779 4.527 -0.000 0.000 0.348 1389 F C 0.730 176.423 175.800 -0.179 0.000 1.106 1389 F CA -0.291 57.627 58.000 -0.138 0.000 1.163 1389 F CB 1.069 39.982 39.000 -0.146 0.000 1.129 1389 F HN 0.248 nan 8.300 nan 0.000 0.516 1390 K N 5.453 125.841 120.400 -0.020 0.000 2.296 1390 K HA 0.358 4.678 4.320 -0.000 0.000 0.257 1390 K C -0.844 175.740 176.600 -0.026 0.000 1.088 1390 K CA -0.254 56.009 56.287 -0.041 0.000 0.980 1390 K CB 0.558 33.053 32.500 -0.008 0.000 1.430 1390 K HN 0.532 nan 8.250 nan 0.000 0.441 1391 L N 5.077 126.222 121.223 -0.129 0.000 2.331 1391 L HA 0.222 4.562 4.340 -0.000 0.000 0.278 1391 L C -1.659 175.214 176.870 0.005 0.000 1.106 1391 L CA -1.857 52.895 54.840 -0.146 0.000 0.824 1391 L CB 0.640 42.415 42.059 -0.474 0.000 1.142 1391 L HN 0.307 nan 8.230 nan 0.000 0.443 1392 P HA 0.231 nan 4.420 nan 0.000 0.225 1392 P C -0.599 176.779 177.300 0.129 0.000 1.813 1392 P CA 0.327 63.497 63.100 0.118 0.000 1.013 1392 P CB 0.492 32.289 31.700 0.162 0.000 1.961 1393 I N -0.882 119.756 120.570 0.114 0.000 3.021 1393 I HA 0.230 4.400 4.170 -0.000 0.000 0.305 1393 I C -1.408 174.709 176.117 -0.000 0.000 1.434 1393 I CA -1.165 60.188 61.300 0.088 0.000 0.969 1393 I CB 2.903 40.973 38.000 0.117 0.000 1.328 1393 I HN -0.120 nan 8.210 nan 0.000 0.486 1394 Q N 4.935 124.712 119.800 -0.037 0.000 2.293 1394 Q HA 0.095 4.435 4.340 -0.000 0.000 0.263 1394 Q C 0.815 176.595 176.000 -0.365 0.000 1.002 1394 Q CA 0.107 55.834 55.803 -0.127 0.000 0.910 1394 Q CB 1.352 30.073 28.738 -0.028 0.000 1.185 1394 Q HN 0.679 nan 8.270 nan 0.000 0.401 1395 K N 3.629 123.594 120.400 -0.726 0.000 2.044 1395 K HA -0.330 3.990 4.320 -0.000 0.000 0.224 1395 K C 1.054 177.368 176.600 -0.477 0.000 1.056 1395 K CA 2.632 58.213 56.287 -1.178 0.000 0.962 1395 K CB 0.103 32.236 32.500 -0.612 0.000 0.730 1395 K HN 0.651 nan 8.250 nan 0.000 0.453 1396 E N -0.213 119.885 120.200 -0.170 0.000 2.130 1396 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 1396 E C 2.006 178.613 176.600 0.012 0.000 0.998 1396 E CA 2.015 58.417 56.400 0.003 0.000 0.806 1396 E CB -0.350 29.405 29.700 0.093 0.000 0.738 1396 E HN 0.437 nan 8.360 nan 0.000 0.459 1397 T N 0.209 114.780 114.554 0.027 0.000 2.701 1397 T HA -0.156 4.194 4.350 -0.000 0.000 0.263 1397 T C 1.289 176.101 174.700 0.186 0.000 1.040 1397 T CA 1.042 63.239 62.100 0.160 0.000 1.147 1397 T CB -0.443 68.525 68.868 0.167 0.000 0.865 1397 T HN 0.398 nan 8.240 nan 0.000 0.426 1398 W N 2.337 123.559 121.300 -0.131 0.000 2.315 1398 W HA -0.217 4.443 4.660 -0.000 0.000 0.323 1398 W C 1.961 178.429 176.519 -0.085 0.000 1.233 1398 W CA 1.771 59.037 57.345 -0.131 0.000 1.267 1398 W CB -0.373 28.908 29.460 -0.298 0.000 1.160 1398 W HN 0.415 nan 8.180 nan 0.000 0.474 1399 E N -0.458 119.686 120.200 -0.092 0.000 2.114 1399 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 1399 E C 1.982 178.292 176.600 -0.483 0.000 1.008 1399 E CA 2.484 58.678 56.400 -0.344 0.000 0.810 1399 E CB -0.667 28.580 29.700 -0.755 0.000 0.739 1399 E HN 0.202 nan 8.360 nan 0.000 0.456 1400 T N -0.509 113.819 114.554 -0.377 0.000 2.833 1400 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 1400 T C 0.866 175.091 174.700 -0.790 0.000 1.054 1400 T CA 1.433 63.212 62.100 -0.534 0.000 1.135 1400 T CB -0.167 68.362 68.868 -0.565 0.000 0.869 1400 T HN 0.378 nan 8.240 nan 0.000 0.466 1401 W N -0.255 120.891 121.300 -0.256 0.000 2.865 1401 W HA 0.316 4.976 4.660 -0.000 0.000 0.300 1401 W C 1.905 178.141 176.519 -0.471 0.000 1.096 1401 W CA -1.394 55.765 57.345 -0.309 0.000 1.524 1401 W CB -0.447 28.945 29.460 -0.113 0.000 0.991 1401 W HN 0.252 nan 8.180 nan 0.000 0.571 1402 W N 1.892 122.783 121.300 -0.682 0.000 2.290 1402 W HA -0.283 4.377 4.660 -0.000 0.000 0.318 1402 W C 1.510 177.745 176.519 -0.474 0.000 1.248 1402 W CA 2.497 59.283 57.345 -0.931 0.000 1.263 1402 W CB -1.986 26.409 29.460 -1.775 0.000 1.147 1402 W HN 0.020 nan 8.180 nan 0.000 0.494 1403 T N -1.018 112.644 114.554 -1.486 0.000 3.155 1403 T HA -0.098 4.252 4.350 -0.000 0.000 0.264 1403 T C 1.289 175.631 174.700 -0.598 0.000 1.160 1403 T CA 1.507 62.828 62.100 -1.300 0.000 1.075 1403 T CB -0.322 67.645 68.868 -1.501 0.000 0.921 1403 T HN 0.251 nan 8.240 nan 0.000 0.533 1404 E N -0.237 119.646 120.200 -0.528 0.000 2.452 1404 E HA 0.151 4.501 4.350 -0.000 0.000 0.197 1404 E C 0.305 176.433 176.600 -0.786 0.000 1.022 1404 E CA 0.274 56.323 56.400 -0.585 0.000 0.890 1404 E CB 0.095 29.429 29.700 -0.610 0.000 0.918 1404 E HN 0.751 nan 8.360 nan 0.000 0.496 1405 Y N -2.015 118.258 120.300 -0.044 0.000 2.540 1405 Y HA 0.237 4.787 4.550 -0.000 0.000 0.257 1405 Y C 0.120 176.023 175.900 0.004 0.000 1.090 1405 Y CA -1.004 57.078 58.100 -0.030 0.000 1.242 1405 Y CB -0.078 38.360 38.460 -0.036 0.000 1.325 1405 Y HN 0.043 nan 8.280 nan 0.000 0.544 1406 W N 3.349 124.589 121.300 -0.102 0.000 2.181 1406 W HA 0.147 4.807 4.660 -0.000 0.000 0.335 1406 W C 0.128 176.571 176.519 -0.128 0.000 1.310 1406 W CA 0.882 58.180 57.345 -0.077 0.000 1.226 1406 W CB 0.940 30.351 29.460 -0.083 0.000 1.155 1406 W HN 0.233 nan 8.180 nan 0.000 0.565 1407 Q N 2.896 122.410 119.800 -0.477 0.000 2.081 1407 Q HA 0.189 4.529 4.340 -0.000 0.000 0.220 1407 Q C 0.373 176.056 176.000 -0.529 0.000 0.775 1407 Q CA -0.264 55.309 55.803 -0.384 0.000 0.983 1407 Q CB 1.302 29.828 28.738 -0.353 0.000 1.188 1407 Q HN 0.399 nan 8.270 nan 0.000 0.458 1408 A N 0.674 122.920 122.820 -0.956 0.000 2.272 1408 A HA 0.335 4.655 4.320 -0.000 0.000 0.275 1408 A C 1.083 178.390 177.584 -0.461 0.000 1.096 1408 A CA 0.239 51.656 52.037 -1.033 0.000 0.822 1408 A CB 0.352 18.059 19.000 -2.156 0.000 1.088 1408 A HN 0.221 nan 8.150 nan 0.000 0.495 1409 T N -2.613 111.630 114.554 -0.520 0.000 3.069 1409 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 1409 T C 0.301 175.100 174.700 0.164 0.000 1.053 1409 T CA -0.151 61.900 62.100 -0.082 0.000 0.964 1409 T CB -0.314 68.524 68.868 -0.050 0.000 1.005 1409 T HN 0.670 nan 8.240 nan 0.000 0.532 1410 W N 0.553 122.097 121.300 0.406 0.000 2.655 1410 W HA 0.774 5.434 4.660 -0.000 0.000 0.358 1410 W C -1.204 175.631 176.519 0.527 0.000 1.100 1410 W CA -1.860 55.720 57.345 0.393 0.000 1.195 1410 W CB 0.796 30.476 29.460 0.367 0.000 1.403 1410 W HN -0.125 nan 8.180 nan 0.000 0.589 1411 I N 3.241 124.249 120.570 0.730 0.000 2.468 1411 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 1411 I C -2.045 174.199 176.117 0.211 0.000 1.038 1411 I CA -2.204 59.349 61.300 0.421 0.000 1.083 1411 I CB 2.049 40.079 38.000 0.051 0.000 1.223 1411 I HN -0.046 nan 8.210 nan 0.000 0.443 1412 P HA 0.189 nan 4.420 nan 0.000 0.274 1412 P C -0.714 176.521 177.300 -0.109 0.000 1.256 1412 P CA -0.375 62.829 63.100 0.174 0.000 0.795 1412 P CB 0.942 32.897 31.700 0.425 0.000 1.038 1413 E N 0.199 120.359 120.200 -0.066 0.000 2.343 1413 E HA 0.286 4.636 4.350 -0.000 0.000 0.269 1413 E C -0.563 176.000 176.600 -0.063 0.000 1.047 1413 E CA 0.274 56.538 56.400 -0.226 0.000 0.874 1413 E CB 0.464 30.099 29.700 -0.107 0.000 1.033 1413 E HN 0.490 nan 8.360 nan 0.000 0.409 1414 W N 0.675 121.847 121.300 -0.212 0.000 3.624 1414 W HA 0.383 5.043 4.660 -0.000 0.000 0.312 1414 W C -1.026 175.127 176.519 -0.610 0.000 1.203 1414 W CA -1.003 56.113 57.345 -0.382 0.000 1.225 1414 W CB -0.226 28.908 29.460 -0.544 0.000 1.321 1414 W HN 0.427 nan 8.180 nan 0.000 0.506 1415 E N 1.823 121.854 120.200 -0.283 0.000 2.244 1415 E HA 0.749 5.099 4.350 -0.000 0.000 0.266 1415 E C -1.546 174.697 176.600 -0.595 0.000 0.914 1415 E CA -1.036 55.117 56.400 -0.411 0.000 0.794 1415 E CB 2.125 31.747 29.700 -0.130 0.000 1.210 1415 E HN 0.241 nan 8.360 nan 0.000 0.414 1416 F N 1.239 121.180 119.950 -0.015 0.000 2.420 1416 F HA 0.493 5.020 4.527 -0.000 0.000 0.342 1416 F C 0.142 175.940 175.800 -0.003 0.000 1.113 1416 F CA -0.834 57.130 58.000 -0.061 0.000 1.059 1416 F CB 1.652 40.613 39.000 -0.065 0.000 1.128 1416 F HN 0.269 nan 8.300 nan 0.000 0.475 1417 V N 2.683 122.687 119.914 0.150 0.000 3.155 1417 V HA 0.490 4.610 4.120 -0.000 0.000 0.313 1417 V C -0.858 175.306 176.094 0.116 0.000 1.162 1417 V CA -0.902 61.469 62.300 0.119 0.000 1.048 1417 V CB 2.501 34.378 31.823 0.091 0.000 1.092 1417 V HN 0.746 nan 8.190 nan 0.000 0.447 1418 N N 2.004 120.766 118.700 0.104 0.000 2.936 1418 N HA 0.228 4.968 4.740 -0.000 0.000 0.243 1418 N C -0.615 174.949 175.510 0.090 0.000 1.149 1418 N CA -0.180 52.926 53.050 0.093 0.000 0.914 1418 N CB 0.979 39.517 38.487 0.085 0.000 1.179 1418 N HN 0.698 nan 8.380 nan 0.000 0.502 1419 T N 2.707 117.314 114.554 0.088 0.000 2.656 1419 T HA -0.009 4.341 4.350 -0.000 0.000 0.258 1419 T C -1.795 172.951 174.700 0.077 0.000 1.020 1419 T CA -0.084 62.066 62.100 0.082 0.000 1.191 1419 T CB 0.053 68.961 68.868 0.067 0.000 1.004 1419 T HN 0.263 nan 8.240 nan 0.000 0.498 1420 P HA 0.273 nan 4.420 nan 0.000 0.277 1420 P C -2.287 175.069 177.300 0.093 0.000 1.271 1420 P CA -1.684 61.480 63.100 0.108 0.000 0.795 1420 P CB -0.085 31.707 31.700 0.154 0.000 1.101 1421 P HA 0.091 nan 4.420 nan 0.000 0.246 1421 P C 0.165 177.524 177.300 0.097 0.000 1.675 1421 P CA 0.460 63.619 63.100 0.098 0.000 0.908 1421 P CB -0.526 31.247 31.700 0.122 0.000 1.890 1422 L N -0.441 120.781 121.223 -0.002 0.000 2.701 1422 L HA 0.024 4.364 4.340 -0.000 0.000 0.238 1422 L C 1.694 178.368 176.870 -0.327 0.000 1.106 1422 L CA 0.216 54.906 54.840 -0.251 0.000 0.898 1422 L CB 0.067 42.060 42.059 -0.110 0.000 1.188 1422 L HN -0.062 nan 8.230 nan 0.000 0.508 1423 V N -1.751 118.071 119.914 -0.154 0.000 2.546 1423 V HA -0.312 3.808 4.120 -0.000 0.000 0.254 1423 V C 2.422 178.463 176.094 -0.089 0.000 1.076 1423 V CA 2.155 64.381 62.300 -0.124 0.000 1.087 1423 V CB -1.186 30.586 31.823 -0.084 0.000 0.674 1423 V HN 0.608 nan 8.190 nan 0.000 0.470 1424 K N 0.888 121.210 120.400 -0.129 0.000 2.013 1424 K HA -0.212 4.108 4.320 -0.000 0.000 0.225 1424 K C 0.823 177.382 176.600 -0.069 0.000 1.056 1424 K CA 2.357 58.587 56.287 -0.095 0.000 0.971 1424 K CB -0.693 31.697 32.500 -0.183 0.000 0.731 1424 K HN 0.738 nan 8.250 nan 0.000 0.450 1425 L N -0.652 120.362 121.223 -0.349 0.000 2.452 1425 L HA 0.044 4.384 4.340 -0.000 0.000 0.267 1425 L C 1.152 178.041 176.870 0.032 0.000 1.188 1425 L CA -0.525 54.128 54.840 -0.311 0.000 0.821 1425 L CB 0.205 41.788 42.059 -0.793 0.000 1.102 1425 L HN 0.342 nan 8.230 nan 0.000 0.470 1426 W N 0.281 121.459 121.300 -0.203 0.000 2.721 1426 W HA -0.054 4.606 4.660 -0.000 0.000 0.245 1426 W C 0.544 177.023 176.519 -0.067 0.000 1.276 1426 W CA -0.533 56.746 57.345 -0.109 0.000 1.342 1426 W CB 0.070 29.510 29.460 -0.033 0.000 1.135 1426 W HN 0.610 nan 8.180 nan 0.000 0.654 1427 Y N 0.000 120.335 120.300 0.058 0.000 2.660 1427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1427 Y CA 0.000 58.082 58.100 -0.030 0.000 1.940 1427 Y CB 0.000 38.439 38.460 -0.034 0.000 1.050 1427 Y HN 0.000 nan 8.280 nan 0.000 0.758