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 1ikw_1_B DATA FIRST_RESID 1005 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFWEVQLGI PHPAGLKKKK 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 0.000 176.164 176.117 0.078 0.000 1.063 1005 I CA 0.000 61.348 61.300 0.080 0.000 1.566 1005 I CB 0.000 38.056 38.000 0.092 0.000 1.214 1006 E N 1.608 121.850 120.200 0.070 0.000 2.349 1006 E HA 0.406 4.756 4.350 -0.000 0.000 0.265 1006 E C -0.537 176.112 176.600 0.081 0.000 1.064 1006 E CA -0.417 56.023 56.400 0.068 0.000 0.886 1006 E CB 1.230 30.965 29.700 0.057 0.000 1.036 1006 E HN 0.672 nan 8.360 nan 0.000 0.413 1007 T N -1.788 112.815 114.554 0.082 0.000 2.837 1007 T HA 0.355 4.705 4.350 -0.000 0.000 0.285 1007 T C 0.079 174.832 174.700 0.088 0.000 0.984 1007 T CA -0.970 61.187 62.100 0.094 0.000 1.049 1007 T CB 0.929 69.854 68.868 0.094 0.000 0.947 1007 T HN 0.105 nan 8.240 nan 0.000 0.472 1008 V N 5.578 125.553 119.914 0.102 0.000 2.555 1008 V HA 0.326 4.446 4.120 -0.000 0.000 0.286 1008 V C -1.654 174.486 176.094 0.077 0.000 1.044 1008 V CA -1.635 60.729 62.300 0.106 0.000 1.026 1008 V CB 0.428 32.344 31.823 0.156 0.000 0.981 1008 V HN 0.852 nan 8.190 nan 0.000 0.480 1009 P HA 0.313 nan 4.420 nan 0.000 0.282 1009 P C -0.930 176.341 177.300 -0.049 0.000 1.262 1009 P CA -0.038 63.076 63.100 0.023 0.000 0.773 1009 P CB 1.372 33.100 31.700 0.046 0.000 0.879 1010 V N 4.279 124.061 119.914 -0.220 0.000 2.715 1010 V HA 0.601 4.721 4.120 -0.000 0.000 0.310 1010 V C 0.383 176.286 176.094 -0.318 0.000 1.054 1010 V CA -0.638 61.325 62.300 -0.561 0.000 0.928 1010 V CB 1.994 33.087 31.823 -1.216 0.000 1.007 1010 V HN 0.637 nan 8.190 nan 0.000 0.437 1011 K N 2.938 123.185 120.400 -0.256 0.000 2.482 1011 K HA 0.770 5.090 4.320 -0.000 0.000 0.257 1011 K C -1.660 174.931 176.600 -0.015 0.000 0.969 1011 K CA -0.927 55.338 56.287 -0.037 0.000 0.842 1011 K CB 2.390 34.901 32.500 0.018 0.000 1.359 1011 K HN 0.464 nan 8.250 nan 0.000 0.441 1012 L N 1.545 122.781 121.223 0.022 0.000 2.399 1012 L HA 0.357 4.697 4.340 -0.000 0.000 0.265 1012 L C 0.074 176.946 176.870 0.004 0.000 1.089 1012 L CA -1.112 53.722 54.840 -0.009 0.000 0.802 1012 L CB 1.005 42.985 42.059 -0.132 0.000 1.180 1012 L HN 0.578 nan 8.230 nan 0.000 0.454 1013 K N 3.183 123.587 120.400 0.006 0.000 2.395 1013 K HA 0.098 4.418 4.320 -0.000 0.000 0.283 1013 K C -2.177 174.425 176.600 0.003 0.000 1.068 1013 K CA -1.361 54.928 56.287 0.004 0.000 1.039 1013 K CB -0.283 32.217 32.500 -0.001 0.000 0.924 1013 K HN 0.304 nan 8.250 nan 0.000 0.468 1014 P HA -0.184 nan 4.420 nan 0.000 0.263 1014 P C 0.782 178.090 177.300 0.014 0.000 1.168 1014 P CA 1.008 64.117 63.100 0.015 0.000 0.759 1014 P CB 0.725 32.435 31.700 0.016 0.000 0.782 1015 G N 1.864 110.676 108.800 0.020 0.000 2.284 1015 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.230 1015 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.230 1015 G C 0.147 175.062 174.900 0.024 0.000 1.021 1015 G CA 0.065 45.178 45.100 0.022 0.000 0.619 1015 G HN 0.511 nan 8.290 nan 0.000 0.510 1016 M N 0.813 120.422 119.600 0.015 0.000 2.409 1016 M HA 0.619 5.099 4.480 -0.000 0.000 0.329 1016 M C -0.483 175.816 176.300 -0.001 0.000 1.180 1016 M CA -0.581 54.726 55.300 0.011 0.000 1.053 1016 M CB 1.591 34.193 32.600 0.003 0.000 1.586 1016 M HN 0.205 nan 8.290 nan 0.000 0.461 1017 D N 0.427 120.837 120.400 0.016 0.000 2.419 1017 D HA 0.518 5.158 4.640 -0.000 0.000 0.234 1017 D C -0.125 176.163 176.300 -0.020 0.000 1.014 1017 D CA -0.125 53.896 54.000 0.036 0.000 0.919 1017 D CB 1.629 42.520 40.800 0.151 0.000 1.366 1017 D HN 0.692 nan 8.370 nan 0.000 0.490 1018 G N 1.416 110.129 108.800 -0.145 0.000 2.707 1018 G HA2 0.151 4.111 3.960 -0.000 0.000 0.231 1018 G HA3 0.151 4.111 3.960 -0.000 0.000 0.231 1018 G C -2.222 172.730 174.900 0.087 0.000 1.246 1018 G CA -0.673 44.206 45.100 -0.368 0.000 0.852 1018 G HN 0.412 nan 8.290 nan 0.000 0.584 1019 P HA 0.188 nan 4.420 nan 0.000 0.265 1019 P C -0.233 177.234 177.300 0.279 0.000 1.193 1019 P CA 0.330 63.529 63.100 0.165 0.000 0.765 1019 P CB 0.566 32.346 31.700 0.134 0.000 0.823 1020 K N 1.752 122.269 120.400 0.196 0.000 3.253 1020 K HA 0.278 4.598 4.320 -0.000 0.000 0.174 1020 K C -1.115 175.554 176.600 0.114 0.000 1.071 1020 K CA -0.282 56.097 56.287 0.154 0.000 0.836 1020 K CB 0.717 33.289 32.500 0.120 0.000 0.922 1020 K HN 0.172 nan 8.250 nan 0.000 0.565 1021 V N 1.501 121.486 119.914 0.118 0.000 2.539 1021 V HA 0.270 4.390 4.120 -0.000 0.000 0.292 1021 V C 0.281 176.438 176.094 0.105 0.000 1.045 1021 V CA -0.871 61.497 62.300 0.113 0.000 0.945 1021 V CB 1.464 33.357 31.823 0.118 0.000 0.993 1021 V HN 0.338 nan 8.190 nan 0.000 0.464 1022 K N 2.254 122.725 120.400 0.119 0.000 2.237 1022 K HA 0.306 4.626 4.320 -0.000 0.000 0.270 1022 K C -0.220 176.457 176.600 0.128 0.000 1.015 1022 K CA -0.498 55.855 56.287 0.109 0.000 0.949 1022 K CB 0.527 33.101 32.500 0.123 0.000 0.976 1022 K HN 0.560 nan 8.250 nan 0.000 0.472 1023 Q N 2.997 122.841 119.800 0.074 0.000 2.337 1023 Q HA 0.015 4.355 4.340 -0.000 0.000 0.255 1023 Q C -1.200 174.864 176.000 0.106 0.000 0.997 1023 Q CA -0.269 55.563 55.803 0.048 0.000 0.925 1023 Q CB 0.456 29.182 28.738 -0.020 0.000 1.212 1023 Q HN 0.536 nan 8.270 nan 0.000 0.436 1024 W N 7.681 129.004 121.300 0.038 0.000 2.231 1024 W HA 0.143 4.803 4.660 -0.000 0.000 0.341 1024 W C -2.159 174.389 176.519 0.048 0.000 1.298 1024 W CA -1.430 55.988 57.345 0.122 0.000 1.266 1024 W CB 0.706 30.371 29.460 0.341 0.000 1.172 1024 W HN 0.559 nan 8.180 nan 0.000 0.568 1025 P HA 0.081 nan 4.420 nan 0.000 0.268 1025 P C -0.768 176.418 177.300 -0.190 0.000 1.204 1025 P CA 0.534 63.400 63.100 -0.390 0.000 0.768 1025 P CB 1.074 32.459 31.700 -0.525 0.000 0.842 1026 L N 1.956 123.114 121.223 -0.108 0.000 2.313 1026 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 1026 L C 1.223 178.030 176.870 -0.105 0.000 1.010 1026 L CA -0.872 53.933 54.840 -0.058 0.000 0.814 1026 L CB 1.635 43.661 42.059 -0.055 0.000 1.304 1026 L HN 0.365 nan 8.230 nan 0.000 0.441 1027 T N -3.735 110.753 114.554 -0.110 0.000 2.913 1027 T HA 0.125 4.475 4.350 -0.000 0.000 0.287 1027 T C 0.830 175.458 174.700 -0.120 0.000 1.008 1027 T CA -0.569 61.464 62.100 -0.111 0.000 1.067 1027 T CB 1.669 70.478 68.868 -0.099 0.000 0.996 1027 T HN 0.785 nan 8.240 nan 0.000 0.513 1028 E N 1.159 121.300 120.200 -0.098 0.000 2.086 1028 E HA -0.356 3.994 4.350 -0.000 0.000 0.205 1028 E C 1.926 178.445 176.600 -0.135 0.000 1.027 1028 E CA 2.228 58.569 56.400 -0.098 0.000 0.830 1028 E CB -0.227 29.433 29.700 -0.066 0.000 0.751 1028 E HN 0.945 nan 8.360 nan 0.000 0.456 1029 E N 0.344 120.466 120.200 -0.131 0.000 2.160 1029 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 1029 E C 1.839 178.166 176.600 -0.456 0.000 0.991 1029 E CA 1.452 57.739 56.400 -0.188 0.000 0.810 1029 E CB -0.135 29.533 29.700 -0.053 0.000 0.742 1029 E HN 0.245 nan 8.360 nan 0.000 0.466 1030 K N 0.228 120.348 120.400 -0.467 0.000 2.262 1030 K HA 0.106 4.426 4.320 -0.000 0.000 0.200 1030 K C 2.186 178.545 176.600 -0.402 0.000 1.049 1030 K CA 0.650 56.556 56.287 -0.636 0.000 0.979 1030 K CB 0.112 32.354 32.500 -0.430 0.000 0.773 1030 K HN 0.232 nan 8.250 nan 0.000 0.474 1031 I N 1.638 122.051 120.570 -0.261 0.000 2.202 1031 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 1031 I C 2.075 178.087 176.117 -0.174 0.000 1.091 1031 I CA 1.367 62.562 61.300 -0.175 0.000 1.368 1031 I CB -0.182 37.742 38.000 -0.126 0.000 1.058 1031 I HN 0.125 nan 8.210 nan 0.000 0.410 1032 K N 1.047 121.332 120.400 -0.191 0.000 2.057 1032 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 1032 K C 2.279 178.762 176.600 -0.196 0.000 1.049 1032 K CA 1.480 57.674 56.287 -0.154 0.000 0.931 1032 K CB -0.280 32.145 32.500 -0.127 0.000 0.714 1032 K HN 0.290 nan 8.250 nan 0.000 0.440 1033 A N 1.691 124.291 122.820 -0.367 0.000 1.883 1033 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 1033 A C 2.163 179.606 177.584 -0.235 0.000 1.186 1033 A CA 1.402 53.170 52.037 -0.449 0.000 0.624 1033 A CB -0.686 17.653 19.000 -1.102 0.000 0.822 1033 A HN 0.167 nan 8.150 nan 0.000 0.444 1034 L N -0.101 120.992 121.223 -0.218 0.000 2.109 1034 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 1034 L C 2.638 179.478 176.870 -0.049 0.000 1.086 1034 L CA 1.295 56.068 54.840 -0.111 0.000 0.760 1034 L CB -0.480 41.521 42.059 -0.096 0.000 0.910 1034 L HN 0.465 nan 8.230 nan 0.000 0.437 1035 V N -3.034 116.854 119.914 -0.043 0.000 2.759 1035 V HA -0.180 3.940 4.120 -0.000 0.000 0.256 1035 V C 1.969 178.056 176.094 -0.011 0.000 1.080 1035 V CA 1.438 63.739 62.300 0.002 0.000 1.101 1035 V CB -0.331 31.491 31.823 -0.002 0.000 0.698 1035 V HN 0.443 nan 8.190 nan 0.000 0.477 1036 E N 0.452 120.633 120.200 -0.032 0.000 2.028 1036 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 1036 E C 2.170 178.757 176.600 -0.021 0.000 0.984 1036 E CA 1.688 58.076 56.400 -0.019 0.000 0.800 1036 E CB -0.194 29.499 29.700 -0.012 0.000 0.758 1036 E HN 0.686 nan 8.360 nan 0.000 0.448 1037 I N 0.581 121.135 120.570 -0.026 0.000 2.208 1037 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 1037 I C 2.390 178.458 176.117 -0.081 0.000 1.097 1037 I CA 0.713 61.995 61.300 -0.029 0.000 1.363 1037 I CB -0.211 37.781 38.000 -0.014 0.000 1.051 1037 I HN 0.272 nan 8.210 nan 0.000 0.413 1038 C N -0.176 119.061 119.300 -0.105 0.000 2.464 1038 C HA -0.080 4.380 4.460 -0.000 0.000 0.278 1038 C C 2.997 177.868 174.990 -0.199 0.000 1.375 1038 C CA 0.966 59.844 59.018 -0.234 0.000 1.761 1038 C CB -0.904 26.681 27.740 -0.258 0.000 1.944 1038 C HN 0.482 nan 8.230 nan 0.000 0.509 1039 T N 0.187 114.701 114.554 -0.067 0.000 2.777 1039 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 1039 T C 1.855 176.527 174.700 -0.046 0.000 1.040 1039 T CA 1.570 63.657 62.100 -0.021 0.000 1.141 1039 T CB -0.233 68.636 68.868 0.002 0.000 0.868 1039 T HN 0.680 nan 8.240 nan 0.000 0.444 1040 E N 0.250 120.418 120.200 -0.053 0.000 2.107 1040 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 1040 E C 2.114 178.667 176.600 -0.078 0.000 0.982 1040 E CA 0.660 57.033 56.400 -0.046 0.000 0.809 1040 E CB -0.099 29.587 29.700 -0.024 0.000 0.756 1040 E HN 0.475 nan 8.360 nan 0.000 0.459 1041 M N 0.495 120.014 119.600 -0.134 0.000 2.374 1041 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 1041 M C 2.143 178.322 176.300 -0.200 0.000 1.067 1041 M CA 1.203 56.383 55.300 -0.200 0.000 1.103 1041 M CB -0.064 32.356 32.600 -0.301 0.000 1.402 1041 M HN 0.146 nan 8.290 nan 0.000 0.444 1042 E N 0.870 120.970 120.200 -0.167 0.000 2.086 1042 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 1042 E C 1.787 178.353 176.600 -0.057 0.000 0.975 1042 E CA 0.872 57.206 56.400 -0.109 0.000 0.813 1042 E CB 0.224 29.897 29.700 -0.044 0.000 0.768 1042 E HN 0.353 nan 8.360 nan 0.000 0.457 1043 K N 0.634 121.008 120.400 -0.043 0.000 2.044 1043 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 1043 K C 1.831 178.417 176.600 -0.023 0.000 1.049 1043 K CA 1.946 58.219 56.287 -0.023 0.000 0.927 1043 K CB -0.123 32.367 32.500 -0.016 0.000 0.713 1043 K HN 0.243 nan 8.250 nan 0.000 0.443 1044 E N -0.238 119.942 120.200 -0.033 0.000 2.516 1044 E HA -0.013 4.337 4.350 -0.000 0.000 0.199 1044 E C 0.749 177.333 176.600 -0.027 0.000 1.069 1044 E CA 0.317 56.704 56.400 -0.022 0.000 0.876 1044 E CB 0.001 29.688 29.700 -0.022 0.000 0.843 1044 E HN 0.496 nan 8.360 nan 0.000 0.530 1045 G N 2.041 110.816 108.800 -0.042 0.000 2.225 1045 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.267 1045 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.267 1045 G C 0.738 175.605 174.900 -0.055 0.000 1.024 1045 G CA 0.900 45.978 45.100 -0.037 0.000 0.784 1045 G HN 0.313 nan 8.290 nan 0.000 0.507 1046 K N -0.673 119.653 120.400 -0.123 0.000 2.243 1046 K HA 0.292 4.612 4.320 -0.000 0.000 0.201 1046 K C 1.310 177.773 176.600 -0.229 0.000 1.051 1046 K CA 1.285 57.468 56.287 -0.173 0.000 0.970 1046 K CB 0.227 32.517 32.500 -0.350 0.000 0.755 1046 K HN 0.807 nan 8.250 nan 0.000 0.465 1047 I N -2.760 117.652 120.570 -0.263 0.000 2.769 1047 I HA 0.386 4.556 4.170 -0.000 0.000 0.298 1047 I C -1.037 175.022 176.117 -0.097 0.000 1.128 1047 I CA -0.948 60.189 61.300 -0.271 0.000 1.031 1047 I CB 2.557 40.265 38.000 -0.486 0.000 1.235 1047 I HN -0.300 nan 8.210 nan 0.000 0.423 1048 S N 2.952 118.646 115.700 -0.010 0.000 2.566 1048 S HA 0.509 4.979 4.470 -0.000 0.000 0.298 1048 S C -0.552 174.094 174.600 0.076 0.000 1.083 1048 S CA -1.046 57.177 58.200 0.038 0.000 0.978 1048 S CB 1.860 65.057 63.200 -0.004 0.000 1.073 1048 S HN 0.524 nan 8.310 nan 0.000 0.491 1049 K N 1.613 122.018 120.400 0.009 0.000 2.319 1049 K HA 0.400 4.720 4.320 -0.000 0.000 0.265 1049 K C -0.002 176.497 176.600 -0.168 0.000 1.000 1049 K CA -0.047 56.121 56.287 -0.198 0.000 0.943 1049 K CB 0.262 32.614 32.500 -0.247 0.000 0.950 1049 K HN 0.636 nan 8.250 nan 0.000 0.485 1050 I N -2.752 117.682 120.570 -0.227 0.000 3.108 1050 I HA 0.637 4.807 4.170 -0.000 0.000 0.312 1050 I C 0.067 176.087 176.117 -0.162 0.000 1.095 1050 I CA -1.130 60.074 61.300 -0.160 0.000 1.000 1050 I CB 2.041 39.957 38.000 -0.140 0.000 1.229 1050 I HN 0.543 nan 8.210 nan 0.000 0.454 1051 G N 0.741 109.467 108.800 -0.122 0.000 2.552 1051 G HA2 0.569 4.529 3.960 -0.000 0.000 0.324 1051 G HA3 0.569 4.529 3.960 -0.000 0.000 0.324 1051 G C -1.915 172.921 174.900 -0.108 0.000 1.217 1051 G CA -1.491 43.542 45.100 -0.112 0.000 0.989 1051 G HN 0.583 nan 8.290 nan 0.000 0.490 1052 P HA -0.109 nan 4.420 nan 0.000 0.226 1052 P C 1.183 178.426 177.300 -0.096 0.000 1.146 1052 P CA 0.902 63.944 63.100 -0.096 0.000 0.773 1052 P CB 0.243 31.892 31.700 -0.085 0.000 0.772 1053 E N -0.525 119.622 120.200 -0.087 0.000 2.472 1053 E HA -0.105 4.245 4.350 -0.000 0.000 0.200 1053 E C 0.334 176.873 176.600 -0.102 0.000 1.046 1053 E CA 0.348 56.697 56.400 -0.085 0.000 0.871 1053 E CB -0.805 28.855 29.700 -0.066 0.000 0.806 1053 E HN 0.164 nan 8.360 nan 0.000 0.533 1054 N N 2.206 120.842 118.700 -0.108 0.000 2.457 1054 N HA 0.115 4.855 4.740 -0.000 0.000 0.250 1054 N C -1.804 173.594 175.510 -0.187 0.000 0.982 1054 N CA -1.790 51.192 53.050 -0.113 0.000 0.941 1054 N CB 1.636 40.089 38.487 -0.057 0.000 1.120 1054 N HN -0.067 nan 8.380 nan 0.000 0.505 1055 P HA 0.058 nan 4.420 nan 0.000 0.255 1055 P C -0.359 176.710 177.300 -0.386 0.000 1.248 1055 P CA 0.204 63.066 63.100 -0.396 0.000 0.807 1055 P CB 0.218 31.627 31.700 -0.485 0.000 1.150 1056 Y N 1.172 121.469 120.300 -0.006 0.000 2.298 1056 Y HA 0.455 5.005 4.550 -0.000 0.000 0.329 1056 Y C 1.000 176.913 175.900 0.021 0.000 1.293 1056 Y CA -0.122 57.993 58.100 0.025 0.000 1.388 1056 Y CB 0.252 38.741 38.460 0.047 0.000 1.309 1056 Y HN -0.091 nan 8.280 nan 0.000 0.544 1057 N N -1.008 117.836 118.700 0.241 0.000 2.647 1057 N HA 0.394 5.134 4.740 -0.000 0.000 0.259 1057 N C -1.900 173.696 175.510 0.144 0.000 1.098 1057 N CA -0.402 52.739 53.050 0.153 0.000 0.984 1057 N CB 1.614 40.155 38.487 0.090 0.000 1.683 1057 N HN 0.549 nan 8.380 nan 0.000 0.501 1058 T N 3.098 117.722 114.554 0.117 0.000 2.921 1058 T HA 0.566 4.916 4.350 -0.000 0.000 0.297 1058 T C -2.797 171.886 174.700 -0.029 0.000 1.013 1058 T CA -0.950 61.171 62.100 0.034 0.000 0.990 1058 T CB 2.048 70.890 68.868 -0.043 0.000 1.023 1058 T HN 0.348 nan 8.240 nan 0.000 0.447 1059 P HA 0.423 nan 4.420 nan 0.000 0.274 1059 P C -0.991 176.071 177.300 -0.398 0.000 1.246 1059 P CA -0.389 62.596 63.100 -0.191 0.000 0.795 1059 P CB 0.815 32.450 31.700 -0.108 0.000 1.006 1060 V N -2.192 117.336 119.914 -0.643 0.000 2.971 1060 V HA 0.736 4.856 4.120 -0.000 0.000 0.309 1060 V C -1.066 174.473 176.094 -0.924 0.000 1.130 1060 V CA -0.834 61.085 62.300 -0.635 0.000 0.964 1060 V CB 1.614 33.193 31.823 -0.406 0.000 1.029 1060 V HN 0.399 nan 8.190 nan 0.000 0.427 1061 F N 0.904 120.797 119.950 -0.094 0.000 2.706 1061 F HA 0.984 5.511 4.527 -0.000 0.000 0.328 1061 F C 0.287 176.022 175.800 -0.108 0.000 1.123 1061 F CA -0.517 57.410 58.000 -0.122 0.000 0.978 1061 F CB 2.013 40.889 39.000 -0.208 0.000 1.404 1061 F HN 0.903 nan 8.300 nan 0.000 0.497 1062 A N 1.481 124.371 122.820 0.116 0.000 2.353 1062 A HA 0.827 5.147 4.320 -0.000 0.000 0.299 1062 A C -0.832 176.907 177.584 0.259 0.000 1.089 1062 A CA -0.530 51.577 52.037 0.118 0.000 0.736 1062 A CB 0.658 19.605 19.000 -0.089 0.000 1.195 1062 A HN 0.739 nan 8.150 nan 0.000 0.447 1063 I N -1.278 119.454 120.570 0.271 0.000 3.540 1063 I HA 0.736 4.906 4.170 -0.000 0.000 0.288 1063 I C -0.613 175.595 176.117 0.152 0.000 1.169 1063 I CA -1.243 60.173 61.300 0.193 0.000 1.038 1063 I CB 1.558 39.628 38.000 0.115 0.000 1.338 1063 I HN 0.248 nan 8.210 nan 0.000 0.507 1064 K N 1.402 121.773 120.400 -0.048 0.000 2.203 1064 K HA 0.450 4.770 4.320 -0.000 0.000 0.251 1064 K C -0.466 176.055 176.600 -0.131 0.000 0.944 1064 K CA -0.873 55.301 56.287 -0.188 0.000 0.829 1064 K CB 2.197 34.506 32.500 -0.319 0.000 1.125 1064 K HN 0.467 nan 8.250 nan 0.000 0.430 1065 K N 1.268 121.587 120.400 -0.134 0.000 2.722 1065 K HA -0.017 4.303 4.320 -0.000 0.000 0.298 1065 K C 0.197 176.712 176.600 -0.142 0.000 1.093 1065 K CA 0.803 57.021 56.287 -0.116 0.000 0.935 1065 K CB 0.147 32.587 32.500 -0.099 0.000 1.038 1065 K HN 0.271 nan 8.250 nan 0.000 0.465 1066 K N 2.061 122.380 120.400 -0.136 0.000 3.000 1066 K HA -0.025 4.295 4.320 -0.000 0.000 0.265 1066 K C -0.975 175.550 176.600 -0.126 0.000 1.260 1066 K CA 0.522 56.720 56.287 -0.148 0.000 1.209 1066 K CB -0.323 32.097 32.500 -0.134 0.000 1.484 1066 K HN 0.441 nan 8.250 nan 0.000 0.283 1067 D N -0.763 119.555 120.400 -0.137 0.000 2.876 1067 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 1067 D C -0.124 176.096 176.300 -0.134 0.000 1.014 1067 D CA 1.384 55.307 54.000 -0.129 0.000 1.012 1067 D CB -1.224 39.518 40.800 -0.098 0.000 1.080 1067 D HN 0.526 nan 8.370 nan 0.000 0.438 1068 S N -0.421 115.200 115.700 -0.132 0.000 2.565 1068 S HA 0.379 4.849 4.470 -0.000 0.000 0.276 1068 S C 1.574 176.064 174.600 -0.182 0.000 1.326 1068 S CA 0.362 58.488 58.200 -0.124 0.000 1.045 1068 S CB 1.569 64.712 63.200 -0.095 0.000 0.918 1068 S HN 0.237 nan 8.310 nan 0.000 0.505 1069 T N -1.159 113.288 114.554 -0.179 0.000 3.139 1069 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 1069 T C 0.397 174.918 174.700 -0.299 0.000 1.164 1069 T CA 0.542 62.488 62.100 -0.258 0.000 1.075 1069 T CB -0.554 68.213 68.868 -0.167 0.000 0.904 1069 T HN 0.666 nan 8.240 nan 0.000 0.540 1070 K N 0.977 121.259 120.400 -0.198 0.000 2.276 1070 K HA 0.294 4.614 4.320 -0.000 0.000 0.285 1070 K C -0.866 175.677 176.600 -0.094 0.000 1.062 1070 K CA -0.904 55.323 56.287 -0.100 0.000 0.918 1070 K CB 0.442 32.925 32.500 -0.029 0.000 1.055 1070 K HN 0.384 nan 8.250 nan 0.000 0.477 1071 W N 3.894 125.182 121.300 -0.019 0.000 2.216 1071 W HA 0.161 4.821 4.660 -0.000 0.000 0.326 1071 W C 0.870 177.381 176.519 -0.013 0.000 1.319 1071 W CA -0.293 57.039 57.345 -0.021 0.000 1.213 1071 W CB 0.477 29.925 29.460 -0.020 0.000 1.171 1071 W HN 0.310 nan 8.180 nan 0.000 0.557 1072 R N 3.339 123.992 120.500 0.255 0.000 2.732 1072 R HA 0.339 4.679 4.340 -0.000 0.000 0.278 1072 R C -0.659 175.729 176.300 0.146 0.000 0.976 1072 R CA -0.974 55.218 56.100 0.153 0.000 0.963 1072 R CB 1.481 31.834 30.300 0.088 0.000 1.150 1072 R HN 0.522 nan 8.270 nan 0.000 0.478 1073 K N 3.389 123.851 120.400 0.104 0.000 2.234 1073 K HA 0.218 4.538 4.320 -0.000 0.000 0.282 1073 K C -1.206 175.434 176.600 0.068 0.000 1.039 1073 K CA -0.444 55.875 56.287 0.053 0.000 0.928 1073 K CB 0.768 33.276 32.500 0.013 0.000 1.039 1073 K HN 0.370 nan 8.250 nan 0.000 0.470 1074 L N 5.701 126.957 121.223 0.055 0.000 2.388 1074 L HA 0.302 4.642 4.340 -0.000 0.000 0.267 1074 L C -1.508 175.384 176.870 0.037 0.000 0.995 1074 L CA -0.603 54.299 54.840 0.102 0.000 0.864 1074 L CB 1.602 43.770 42.059 0.181 0.000 1.216 1074 L HN 0.355 nan 8.230 nan 0.000 0.430 1075 V N 3.503 123.377 119.914 -0.067 0.000 2.432 1075 V HA 0.197 4.317 4.120 -0.000 0.000 0.271 1075 V C 0.076 176.032 176.094 -0.229 0.000 1.046 1075 V CA -0.464 61.642 62.300 -0.325 0.000 0.945 1075 V CB 1.224 32.641 31.823 -0.678 0.000 0.992 1075 V HN 0.669 nan 8.190 nan 0.000 0.471 1076 D N 4.385 124.705 120.400 -0.134 0.000 2.498 1076 D HA 0.119 4.759 4.640 -0.000 0.000 0.229 1076 D C 0.307 176.595 176.300 -0.021 0.000 1.188 1076 D CA -0.195 53.840 54.000 0.059 0.000 1.028 1076 D CB -0.032 40.927 40.800 0.264 0.000 1.087 1076 D HN 0.391 nan 8.370 nan 0.000 0.510 1077 F N 1.794 121.813 119.950 0.116 0.000 2.676 1077 F HA 0.243 4.770 4.527 -0.000 0.000 0.300 1077 F C 2.085 177.953 175.800 0.114 0.000 1.160 1077 F CA -0.267 57.800 58.000 0.112 0.000 1.401 1077 F CB -0.073 39.017 39.000 0.149 0.000 1.037 1077 F HN 0.222 nan 8.300 nan 0.000 0.522 1078 R N 0.415 121.047 120.500 0.219 0.000 2.112 1078 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 1078 R C 2.312 178.705 176.300 0.155 0.000 1.137 1078 R CA 1.740 57.916 56.100 0.126 0.000 0.944 1078 R CB -0.134 30.157 30.300 -0.015 0.000 0.857 1078 R HN 0.090 nan 8.270 nan 0.000 0.435 1079 E N 0.274 120.564 120.200 0.150 0.000 2.005 1079 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 1079 E C 1.896 178.609 176.600 0.187 0.000 1.010 1079 E CA 1.219 57.706 56.400 0.146 0.000 0.825 1079 E CB -0.613 29.163 29.700 0.128 0.000 0.769 1079 E HN 0.184 nan 8.360 nan 0.000 0.456 1080 L N 2.042 123.400 121.223 0.224 0.000 2.263 1080 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 1080 L C 1.481 178.557 176.870 0.344 0.000 1.111 1080 L CA 1.586 56.551 54.840 0.208 0.000 0.773 1080 L CB -0.593 41.559 42.059 0.154 0.000 0.906 1080 L HN 0.028 nan 8.230 nan 0.000 0.439 1081 N N -0.088 118.842 118.700 0.383 0.000 2.270 1081 N HA -0.144 4.596 4.740 -0.000 0.000 0.181 1081 N C 1.757 177.619 175.510 0.587 0.000 1.016 1081 N CA 1.194 54.535 53.050 0.485 0.000 0.870 1081 N CB -0.087 38.545 38.487 0.241 0.000 0.979 1081 N HN 0.447 nan 8.380 nan 0.000 0.431 1082 K N 0.345 120.960 120.400 0.358 0.000 2.155 1082 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 1082 K C 1.503 178.220 176.600 0.195 0.000 1.052 1082 K CA 0.618 57.062 56.287 0.262 0.000 0.948 1082 K CB 0.221 32.820 32.500 0.164 0.000 0.728 1082 K HN 0.021 nan 8.250 nan 0.000 0.448 1083 R N -0.062 120.550 120.500 0.188 0.000 2.323 1083 R HA 0.036 4.376 4.340 -0.000 0.000 0.198 1083 R C 0.782 177.168 176.300 0.144 0.000 0.988 1083 R CA 0.851 57.016 56.100 0.109 0.000 1.041 1083 R CB 0.082 30.403 30.300 0.035 0.000 0.926 1083 R HN 0.129 nan 8.270 nan 0.000 0.476 1084 T N -0.510 114.214 114.554 0.285 0.000 3.004 1084 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 1084 T C 1.410 176.157 174.700 0.078 0.000 0.986 1084 T CA -0.252 62.045 62.100 0.328 0.000 0.902 1084 T CB 0.739 70.011 68.868 0.674 0.000 1.118 1084 T HN 0.159 nan 8.240 nan 0.000 0.522 1085 Q N 2.052 121.789 119.800 -0.106 0.000 2.207 1085 Q HA -0.326 4.014 4.340 -0.000 0.000 0.215 1085 Q C 1.912 177.369 176.000 -0.905 0.000 1.006 1085 Q CA 2.415 57.654 55.803 -0.940 0.000 0.903 1085 Q CB -0.215 28.253 28.738 -0.451 0.000 0.947 1085 Q HN 0.518 nan 8.270 nan 0.000 0.414 1086 D N -0.810 119.363 120.400 -0.377 0.000 2.104 1086 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 1086 D C 1.727 177.905 176.300 -0.203 0.000 0.994 1086 D CA 1.575 55.431 54.000 -0.240 0.000 0.830 1086 D CB -0.379 40.366 40.800 -0.092 0.000 0.959 1086 D HN 0.405 nan 8.370 nan 0.000 0.452 1087 F N 1.853 121.657 119.950 -0.243 0.000 2.069 1087 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 1087 F C 2.284 178.013 175.800 -0.118 0.000 1.113 1087 F CA 2.331 60.251 58.000 -0.134 0.000 1.214 1087 F CB -0.816 38.167 39.000 -0.029 0.000 0.978 1087 F HN 0.213 nan 8.300 nan 0.000 0.474 1088 W N 0.433 121.645 121.300 -0.147 0.000 3.256 1088 W HA 0.167 4.827 4.660 -0.000 0.000 0.269 1088 W C 1.425 177.825 176.519 -0.197 0.000 1.310 1088 W CA 0.697 57.859 57.345 -0.305 0.000 1.673 1088 W CB -0.896 28.431 29.460 -0.222 0.000 1.115 1088 W HN 0.335 nan 8.180 nan 0.000 0.686 1089 E N 1.606 121.566 120.200 -0.399 0.000 2.306 1089 E HA -0.107 4.243 4.350 -0.000 0.000 0.201 1089 E C 2.167 178.664 176.600 -0.171 0.000 0.874 1089 E CA 0.961 57.203 56.400 -0.264 0.000 0.972 1089 E CB 0.091 29.429 29.700 -0.604 0.000 0.957 1089 E HN 0.039 nan 8.360 nan 0.000 0.492 1090 V N -1.144 118.638 119.914 -0.221 0.000 2.599 1090 V HA 0.041 4.161 4.120 -0.000 0.000 0.237 1090 V C 2.366 178.373 176.094 -0.145 0.000 1.081 1090 V CA 1.085 63.297 62.300 -0.147 0.000 1.107 1090 V CB -0.739 31.002 31.823 -0.136 0.000 0.808 1090 V HN 0.181 nan 8.190 nan 0.000 0.486 1091 Q N 0.262 119.954 119.800 -0.181 0.000 2.045 1091 Q HA -0.084 4.256 4.340 -0.000 0.000 0.206 1091 Q C 1.348 177.208 176.000 -0.233 0.000 0.991 1091 Q CA 2.611 58.301 55.803 -0.187 0.000 0.851 1091 Q CB -0.064 28.555 28.738 -0.199 0.000 0.911 1091 Q HN 0.730 nan 8.270 nan 0.000 0.418 1092 L N 0.453 121.471 121.223 -0.341 0.000 3.255 1092 L HA 0.412 4.752 4.340 -0.000 0.000 0.293 1092 L C 0.518 177.275 176.870 -0.188 0.000 1.302 1092 L CA -0.553 54.104 54.840 -0.304 0.000 0.977 1092 L CB 0.745 42.507 42.059 -0.497 0.000 1.390 1092 L HN 0.144 nan 8.230 nan 0.000 0.588 1093 G N 0.846 109.582 108.800 -0.107 0.000 2.720 1093 G HA2 0.308 4.268 3.960 -0.000 0.000 0.237 1093 G HA3 0.308 4.268 3.960 -0.000 0.000 0.237 1093 G C -0.238 174.677 174.900 0.026 0.000 1.239 1093 G CA -0.087 45.012 45.100 -0.001 0.000 0.847 1093 G HN 0.218 nan 8.290 nan 0.000 0.593 1094 I N 1.601 122.231 120.570 0.100 0.000 2.410 1094 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 1094 I C -2.030 174.215 176.117 0.213 0.000 1.009 1094 I CA -1.644 59.734 61.300 0.130 0.000 1.111 1094 I CB 2.036 40.117 38.000 0.135 0.000 1.262 1094 I HN 0.267 nan 8.210 nan 0.000 0.443 1095 P HA -0.017 nan 4.420 nan 0.000 0.265 1095 P C -0.707 176.696 177.300 0.171 0.000 1.187 1095 P CA 0.170 63.358 63.100 0.147 0.000 0.766 1095 P CB 0.290 32.040 31.700 0.082 0.000 0.820 1096 H N 4.370 123.417 119.070 -0.039 0.000 2.511 1096 H HA 0.279 4.835 4.556 -0.000 0.000 0.328 1096 H C -2.287 172.874 175.328 -0.277 0.000 1.044 1096 H CA -2.153 53.692 56.048 -0.338 0.000 1.212 1096 H CB 1.098 30.653 29.762 -0.344 0.000 1.428 1096 H HN 0.295 nan 8.280 nan 0.000 0.483 1097 P HA 0.149 nan 4.420 nan 0.000 0.276 1097 P C 0.340 177.389 177.300 -0.417 0.000 1.253 1097 P CA -0.331 62.521 63.100 -0.413 0.000 0.766 1097 P CB 1.172 32.673 31.700 -0.331 0.000 0.845 1098 A N 3.622 126.361 122.820 -0.135 0.000 2.172 1098 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 1098 A C 2.095 179.617 177.584 -0.104 0.000 1.154 1098 A CA 1.437 53.440 52.037 -0.057 0.000 0.701 1098 A CB -0.969 18.031 19.000 -0.000 0.000 0.789 1098 A HN 0.632 nan 8.150 nan 0.000 0.465 1099 G N -0.415 108.306 108.800 -0.131 0.000 2.464 1099 G HA2 0.009 3.969 3.960 -0.000 0.000 0.217 1099 G HA3 0.009 3.969 3.960 -0.000 0.000 0.217 1099 G C 1.346 176.165 174.900 -0.136 0.000 1.138 1099 G CA 0.830 45.863 45.100 -0.111 0.000 0.793 1099 G HN 0.413 nan 8.290 nan 0.000 0.539 1100 L N 1.974 123.079 121.223 -0.195 0.000 1.997 1100 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 1100 L C 2.913 179.676 176.870 -0.179 0.000 1.074 1100 L CA 2.767 57.497 54.840 -0.184 0.000 0.763 1100 L CB -0.568 41.330 42.059 -0.269 0.000 0.890 1100 L HN 0.470 nan 8.230 nan 0.000 0.434 1101 K N -1.089 119.198 120.400 -0.187 0.000 2.442 1101 K HA -0.188 4.132 4.320 -0.000 0.000 0.198 1101 K C 1.776 178.250 176.600 -0.210 0.000 1.044 1101 K CA 1.583 57.746 56.287 -0.206 0.000 0.948 1101 K CB -0.345 32.061 32.500 -0.156 0.000 0.762 1101 K HN 0.355 nan 8.250 nan 0.000 0.472 1102 K N 0.747 121.051 120.400 -0.159 0.000 2.361 1102 K HA 0.079 4.399 4.320 -0.000 0.000 0.196 1102 K C 0.001 176.517 176.600 -0.140 0.000 1.039 1102 K CA 0.104 56.312 56.287 -0.132 0.000 1.001 1102 K CB 0.291 32.736 32.500 -0.092 0.000 0.795 1102 K HN 0.004 nan 8.250 nan 0.000 0.495 1103 K N 1.827 122.137 120.400 -0.150 0.000 2.448 1103 K HA -0.037 4.283 4.320 -0.000 0.000 0.278 1103 K C 0.718 177.218 176.600 -0.166 0.000 1.009 1103 K CA 0.379 56.586 56.287 -0.133 0.000 0.995 1103 K CB 0.923 33.359 32.500 -0.106 0.000 0.917 1103 K HN 0.001 nan 8.250 nan 0.000 0.481 1104 K N 0.820 121.142 120.400 -0.130 0.000 2.211 1104 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 1104 K C -0.180 176.372 176.600 -0.080 0.000 1.047 1104 K CA 1.004 57.220 56.287 -0.118 0.000 0.935 1104 K CB 0.300 32.740 32.500 -0.100 0.000 0.728 1104 K HN 0.440 nan 8.250 nan 0.000 0.452 1105 S N -0.568 115.017 115.700 -0.193 0.000 2.536 1105 S HA 0.433 4.903 4.470 -0.000 0.000 0.271 1105 S C -1.502 172.885 174.600 -0.355 0.000 1.134 1105 S CA -0.923 57.085 58.200 -0.320 0.000 0.897 1105 S CB 2.658 65.487 63.200 -0.618 0.000 1.094 1105 S HN -0.090 nan 8.310 nan 0.000 0.473 1106 V N 2.409 122.139 119.914 -0.306 0.000 2.569 1106 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 1106 V C -0.398 175.638 176.094 -0.096 0.000 1.044 1106 V CA -0.531 61.703 62.300 -0.110 0.000 0.874 1106 V CB 2.038 33.812 31.823 -0.082 0.000 1.002 1106 V HN 0.909 nan 8.190 nan 0.000 0.424 1107 T N 4.133 118.716 114.554 0.050 0.000 2.867 1107 T HA 0.596 4.946 4.350 -0.000 0.000 0.282 1107 T C -0.285 174.346 174.700 -0.115 0.000 1.000 1107 T CA -0.390 61.691 62.100 -0.031 0.000 1.042 1107 T CB 1.781 70.681 68.868 0.054 0.000 0.973 1107 T HN 0.356 nan 8.240 nan 0.000 0.465 1108 V N 4.754 124.563 119.914 -0.175 0.000 2.370 1108 V HA 0.451 4.571 4.120 -0.000 0.000 0.283 1108 V C -0.279 175.736 176.094 -0.131 0.000 1.023 1108 V CA -0.710 61.437 62.300 -0.255 0.000 0.857 1108 V CB 0.981 32.727 31.823 -0.128 0.000 0.985 1108 V HN 0.691 nan 8.190 nan 0.000 0.443 1109 L N 3.649 124.757 121.223 -0.193 0.000 2.313 1109 L HA 0.496 4.836 4.340 -0.000 0.000 0.283 1109 L C -0.226 176.554 176.870 -0.151 0.000 1.013 1109 L CA -0.616 54.142 54.840 -0.137 0.000 0.816 1109 L CB 1.970 43.948 42.059 -0.134 0.000 1.236 1109 L HN 0.582 nan 8.230 nan 0.000 0.419 1110 D N 2.663 122.984 120.400 -0.132 0.000 2.470 1110 D HA 0.103 4.743 4.640 -0.000 0.000 0.226 1110 D C 0.670 176.849 176.300 -0.203 0.000 1.196 1110 D CA -0.334 53.574 54.000 -0.154 0.000 0.979 1110 D CB 0.873 41.590 40.800 -0.138 0.000 1.059 1110 D HN 0.266 nan 8.370 nan 0.000 0.515 1111 V N 2.025 121.793 119.914 -0.242 0.000 3.350 1111 V HA 0.383 4.503 4.120 -0.000 0.000 0.354 1111 V C 1.681 177.416 176.094 -0.599 0.000 1.257 1111 V CA 0.244 62.348 62.300 -0.326 0.000 1.323 1111 V CB -0.019 31.651 31.823 -0.254 0.000 1.201 1111 V HN 0.390 nan 8.190 nan 0.000 0.447 1112 G N 0.800 109.256 108.800 -0.573 0.000 2.408 1112 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 1112 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 1112 G C 0.971 175.292 174.900 -0.966 0.000 1.150 1112 G CA 0.886 45.488 45.100 -0.830 0.000 0.776 1112 G HN 0.545 nan 8.290 nan 0.000 0.542 1113 D N 1.053 121.056 120.400 -0.662 0.000 2.354 1113 D HA -0.000 4.640 4.640 -0.000 0.000 0.216 1113 D C 2.543 178.510 176.300 -0.555 0.000 0.970 1113 D CA 0.865 54.493 54.000 -0.620 0.000 0.905 1113 D CB -0.224 40.418 40.800 -0.263 0.000 0.903 1113 D HN 0.344 nan 8.370 nan 0.000 0.508 1114 A N -0.325 122.113 122.820 -0.637 0.000 2.067 1114 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 1114 A C 1.772 179.033 177.584 -0.538 0.000 1.158 1114 A CA 0.691 52.413 52.037 -0.526 0.000 0.661 1114 A CB -0.782 17.832 19.000 -0.645 0.000 0.801 1114 A HN 0.385 nan 8.150 nan 0.000 0.452 1115 Y N -2.087 117.855 120.300 -0.597 0.000 2.395 1115 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 1115 Y C 1.438 177.378 175.900 0.066 0.000 1.123 1115 Y CA -0.071 57.814 58.100 -0.358 0.000 1.227 1115 Y CB -0.138 38.150 38.460 -0.287 0.000 1.012 1115 Y HN 0.295 nan 8.280 nan 0.000 0.552 1116 F N -0.224 119.816 119.950 0.150 0.000 2.773 1116 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 1116 F C 1.872 177.768 175.800 0.159 0.000 1.204 1116 F CA 0.134 58.233 58.000 0.167 0.000 1.454 1116 F CB -0.988 38.088 39.000 0.126 0.000 1.117 1116 F HN -0.045 nan 8.300 nan 0.000 0.590 1117 S N -1.144 114.760 115.700 0.340 0.000 2.470 1117 S HA 0.108 4.578 4.470 -0.000 0.000 0.222 1117 S C 0.871 175.644 174.600 0.289 0.000 1.024 1117 S CA 0.015 58.389 58.200 0.291 0.000 0.931 1117 S CB 0.307 63.688 63.200 0.300 0.000 0.791 1117 S HN -0.047 nan 8.310 nan 0.000 0.513 1118 V N 4.672 124.785 119.914 0.332 0.000 2.644 1118 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 1118 V C -2.190 174.060 176.094 0.261 0.000 1.053 1118 V CA -2.013 60.464 62.300 0.296 0.000 0.987 1118 V CB 1.248 33.278 31.823 0.346 0.000 1.006 1118 V HN 0.173 nan 8.190 nan 0.000 0.472 1119 P HA 0.409 nan 4.420 nan 0.000 0.283 1119 P C -1.241 176.176 177.300 0.196 0.000 1.271 1119 P CA -0.632 62.580 63.100 0.187 0.000 0.841 1119 P CB 1.973 33.760 31.700 0.145 0.000 1.122 1120 L N 1.484 122.822 121.223 0.192 0.000 2.317 1120 L HA 0.393 4.733 4.340 -0.000 0.000 0.281 1120 L C -0.078 176.886 176.870 0.157 0.000 1.024 1120 L CA -0.515 54.445 54.840 0.199 0.000 0.810 1120 L CB 0.658 42.853 42.059 0.228 0.000 1.240 1120 L HN 0.302 nan 8.230 nan 0.000 0.427 1121 D N 2.644 123.129 120.400 0.142 0.000 2.662 1121 D HA -0.096 4.544 4.640 -0.000 0.000 0.237 1121 D C 1.113 177.486 176.300 0.121 0.000 1.154 1121 D CA 0.532 54.601 54.000 0.114 0.000 0.861 1121 D CB 0.906 41.756 40.800 0.085 0.000 1.146 1121 D HN 0.603 nan 8.370 nan 0.000 0.518 1122 E N 3.091 123.342 120.200 0.085 0.000 2.233 1122 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 1122 E C 0.617 177.240 176.600 0.039 0.000 1.004 1122 E CA 1.268 57.702 56.400 0.058 0.000 0.819 1122 E CB -0.145 29.581 29.700 0.044 0.000 0.738 1122 E HN 0.642 nan 8.360 nan 0.000 0.478 1123 D N -0.606 119.831 120.400 0.062 0.000 2.323 1123 D HA -0.008 4.632 4.640 -0.000 0.000 0.209 1123 D C 1.237 177.568 176.300 0.052 0.000 0.973 1123 D CA 0.319 54.346 54.000 0.044 0.000 0.874 1123 D CB -0.179 40.664 40.800 0.073 0.000 0.930 1123 D HN 0.171 nan 8.370 nan 0.000 0.521 1124 F N 1.708 121.614 119.950 -0.073 0.000 2.656 1124 F HA 0.144 4.671 4.527 -0.000 0.000 0.291 1124 F C 2.057 177.760 175.800 -0.163 0.000 1.122 1124 F CA 0.141 58.101 58.000 -0.067 0.000 1.427 1124 F CB 0.185 39.151 39.000 -0.056 0.000 1.125 1124 F HN -0.275 nan 8.300 nan 0.000 0.583 1125 R N 1.158 121.613 120.500 -0.075 0.000 2.119 1125 R HA -0.251 4.089 4.340 -0.000 0.000 0.246 1125 R C 2.219 178.374 176.300 -0.242 0.000 1.146 1125 R CA 2.170 58.201 56.100 -0.115 0.000 0.962 1125 R CB -0.760 29.532 30.300 -0.014 0.000 0.863 1125 R HN 0.391 nan 8.270 nan 0.000 0.442 1126 K N -0.022 120.159 120.400 -0.364 0.000 2.160 1126 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 1126 K C 1.351 177.713 176.600 -0.396 0.000 1.047 1126 K CA 1.730 57.813 56.287 -0.340 0.000 0.930 1126 K CB -0.431 31.852 32.500 -0.361 0.000 0.720 1126 K HN 0.218 nan 8.250 nan 0.000 0.450 1127 Y N 2.579 122.560 120.300 -0.533 0.000 2.574 1127 Y HA -0.062 4.488 4.550 -0.000 0.000 0.294 1127 Y C 2.027 177.686 175.900 -0.402 0.000 1.142 1127 Y CA 1.161 58.834 58.100 -0.712 0.000 1.314 1127 Y CB -0.526 37.241 38.460 -1.153 0.000 0.991 1127 Y HN 0.320 nan 8.280 nan 0.000 0.555 1128 T N -2.291 112.188 114.554 -0.125 0.000 3.273 1128 T HA 0.585 4.935 4.350 -0.000 0.000 0.254 1128 T C 0.583 175.500 174.700 0.362 0.000 1.002 1128 T CA -0.169 62.045 62.100 0.190 0.000 0.913 1128 T CB -0.693 68.298 68.868 0.205 0.000 1.056 1128 T HN 0.182 nan 8.240 nan 0.000 0.576 1129 A N 1.873 124.820 122.820 0.211 0.000 2.440 1129 A HA 0.623 4.943 4.320 -0.000 0.000 0.251 1129 A C -0.138 177.590 177.584 0.240 0.000 1.089 1129 A CA -0.709 51.426 52.037 0.163 0.000 0.779 1129 A CB -0.290 18.764 19.000 0.089 0.000 1.022 1129 A HN 0.777 nan 8.150 nan 0.000 0.492 1130 F N -0.371 119.632 119.950 0.088 0.000 2.629 1130 F HA 0.857 5.384 4.527 -0.000 0.000 0.316 1130 F C -0.346 175.469 175.800 0.026 0.000 1.081 1130 F CA -0.827 57.194 58.000 0.035 0.000 0.954 1130 F CB 1.498 40.508 39.000 0.017 0.000 1.337 1130 F HN 0.327 nan 8.300 nan 0.000 0.474 1131 T N 2.505 117.166 114.554 0.178 0.000 2.881 1131 T HA 0.536 4.886 4.350 -0.000 0.000 0.290 1131 T C -0.620 174.143 174.700 0.105 0.000 1.000 1131 T CA -0.419 61.700 62.100 0.032 0.000 0.978 1131 T CB 1.499 70.351 68.868 -0.026 0.000 0.997 1131 T HN 0.577 nan 8.240 nan 0.000 0.443 1132 I N 5.873 126.488 120.570 0.075 0.000 2.287 1132 I HA 0.256 4.426 4.170 -0.000 0.000 0.290 1132 I C -1.663 174.443 176.117 -0.019 0.000 1.069 1132 I CA -2.204 59.133 61.300 0.062 0.000 1.237 1132 I CB 1.081 39.149 38.000 0.114 0.000 1.418 1132 I HN 0.347 nan 8.210 nan 0.000 0.481 1133 P HA 0.063 nan 4.420 nan 0.000 0.274 1133 P C -0.502 176.757 177.300 -0.069 0.000 1.264 1133 P CA -0.153 62.907 63.100 -0.066 0.000 0.795 1133 P CB 0.777 32.429 31.700 -0.080 0.000 1.064 1134 S N -1.479 114.176 115.700 -0.075 0.000 2.569 1134 S HA 0.532 5.002 4.470 -0.000 0.000 0.280 1134 S C 0.036 174.589 174.600 -0.077 0.000 1.111 1134 S CA -1.010 57.146 58.200 -0.072 0.000 0.887 1134 S CB 0.624 63.784 63.200 -0.067 0.000 1.095 1134 S HN 0.288 nan 8.310 nan 0.000 0.476 1135 I N 2.568 123.094 120.570 -0.074 0.000 2.710 1135 I HA 0.083 4.253 4.170 -0.000 0.000 0.286 1135 I C 1.247 177.323 176.117 -0.068 0.000 1.181 1135 I CA 0.299 61.554 61.300 -0.074 0.000 1.430 1135 I CB -0.219 37.741 38.000 -0.066 0.000 1.367 1135 I HN 1.022 nan 8.210 nan 0.000 0.577 1136 N N 4.743 123.400 118.700 -0.072 0.000 2.681 1136 N HA -0.288 4.452 4.740 -0.000 0.000 0.250 1136 N C 0.231 175.704 175.510 -0.062 0.000 1.133 1136 N CA 1.231 54.243 53.050 -0.065 0.000 0.732 1136 N CB -0.890 37.565 38.487 -0.053 0.000 1.107 1136 N HN 0.818 nan 8.380 nan 0.000 0.559 1137 N N -1.217 117.442 118.700 -0.069 0.000 2.681 1137 N HA -0.233 4.507 4.740 -0.000 0.000 0.250 1137 N C -0.296 175.180 175.510 -0.057 0.000 1.133 1137 N CA 1.368 54.379 53.050 -0.065 0.000 0.732 1137 N CB -1.182 37.267 38.487 -0.064 0.000 1.107 1137 N HN 0.747 nan 8.380 nan 0.000 0.559 1138 E N -0.546 119.622 120.200 -0.054 0.000 2.516 1138 E HA 0.015 4.365 4.350 -0.000 0.000 0.199 1138 E C 0.046 176.617 176.600 -0.050 0.000 1.069 1138 E CA 0.582 56.953 56.400 -0.048 0.000 0.876 1138 E CB 0.219 29.893 29.700 -0.044 0.000 0.843 1138 E HN 0.187 nan 8.360 nan 0.000 0.530 1139 T N 0.067 114.588 114.554 -0.056 0.000 2.956 1139 T HA 0.169 4.519 4.350 -0.000 0.000 0.312 1139 T C -2.104 172.556 174.700 -0.067 0.000 1.151 1139 T CA -1.351 60.714 62.100 -0.059 0.000 1.024 1139 T CB 1.893 70.725 68.868 -0.059 0.000 1.140 1139 T HN -0.256 nan 8.240 nan 0.000 0.473 1140 P HA 0.009 nan 4.420 nan 0.000 0.216 1140 P C 0.414 177.662 177.300 -0.088 0.000 1.167 1140 P CA 1.797 64.850 63.100 -0.078 0.000 0.914 1140 P CB -0.035 31.614 31.700 -0.084 0.000 0.793 1141 G N -1.013 107.729 108.800 -0.098 0.000 3.353 1141 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.682 1141 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.682 1141 G C -0.447 174.366 174.900 -0.144 0.000 1.192 1141 G CA -0.863 44.175 45.100 -0.103 0.000 1.111 1141 G HN 0.187 nan 8.290 nan 0.000 0.493 1142 I N 2.912 123.385 120.570 -0.161 0.000 2.821 1142 I HA 0.034 4.204 4.170 -0.000 0.000 0.294 1142 I C 1.132 177.016 176.117 -0.389 0.000 1.210 1142 I CA 0.350 61.480 61.300 -0.283 0.000 1.430 1142 I CB 0.125 37.993 38.000 -0.220 0.000 1.356 1142 I HN 0.293 nan 8.210 nan 0.000 0.563 1143 R N 5.985 126.151 120.500 -0.556 0.000 2.664 1143 R HA 0.692 5.032 4.340 -0.000 0.000 0.286 1143 R C -1.266 174.525 176.300 -0.849 0.000 0.967 1143 R CA -0.934 54.833 56.100 -0.555 0.000 0.933 1143 R CB 2.130 32.222 30.300 -0.347 0.000 1.146 1143 R HN 0.450 nan 8.270 nan 0.000 0.468 1144 Y N -0.445 119.440 120.300 -0.691 0.000 2.705 1144 Y HA 0.262 4.812 4.550 -0.000 0.000 0.332 1144 Y C -0.451 175.111 175.900 -0.564 0.000 1.221 1144 Y CA -0.877 56.797 58.100 -0.710 0.000 1.059 1144 Y CB 2.033 39.857 38.460 -1.060 0.000 1.298 1144 Y HN 0.494 nan 8.280 nan 0.000 0.459 1145 Q N -0.596 119.151 119.800 -0.089 0.000 2.435 1145 Q HA 0.529 4.869 4.340 -0.000 0.000 0.282 1145 Q C -2.252 173.780 176.000 0.053 0.000 1.020 1145 Q CA -1.124 54.715 55.803 0.059 0.000 0.820 1145 Q CB 2.124 30.875 28.738 0.021 0.000 1.436 1145 Q HN 0.563 nan 8.270 nan 0.000 0.395 1146 Y N 1.345 121.742 120.300 0.161 0.000 2.309 1146 Y HA 0.249 4.799 4.550 -0.000 0.000 0.327 1146 Y C 0.910 176.856 175.900 0.077 0.000 1.172 1146 Y CA 0.179 58.358 58.100 0.131 0.000 1.280 1146 Y CB 0.952 39.516 38.460 0.173 0.000 1.234 1146 Y HN 0.732 nan 8.280 nan 0.000 0.512 1147 N N 0.526 119.326 118.700 0.166 0.000 2.463 1147 N HA 0.044 4.784 4.740 -0.000 0.000 0.183 1147 N C -0.153 175.475 175.510 0.196 0.000 1.064 1147 N CA 0.520 53.650 53.050 0.133 0.000 0.879 1147 N CB 0.513 39.038 38.487 0.063 0.000 1.148 1147 N HN 0.392 nan 8.380 nan 0.000 0.451 1148 V N -0.719 119.352 119.914 0.262 0.000 3.211 1148 V HA 0.481 4.601 4.120 -0.000 0.000 0.319 1148 V C 0.573 176.913 176.094 0.411 0.000 1.096 1148 V CA -1.098 61.395 62.300 0.322 0.000 1.029 1148 V CB 1.002 33.031 31.823 0.345 0.000 1.137 1148 V HN -0.091 nan 8.190 nan 0.000 0.453 1149 L N 3.491 124.955 121.223 0.401 0.000 2.513 1149 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 1149 L C -1.900 175.221 176.870 0.418 0.000 1.187 1149 L CA -1.014 54.045 54.840 0.366 0.000 0.895 1149 L CB 0.380 42.587 42.059 0.247 0.000 1.147 1149 L HN 0.586 nan 8.230 nan 0.000 0.483 1150 P HA 0.129 nan 4.420 nan 0.000 0.278 1150 P C -0.539 176.890 177.300 0.215 0.000 1.258 1150 P CA -0.541 62.499 63.100 -0.100 0.000 0.811 1150 P CB 1.161 32.470 31.700 -0.652 0.000 1.063 1151 Q N 0.933 120.910 119.800 0.295 0.000 2.123 1151 Q HA 0.005 4.345 4.340 -0.000 0.000 0.196 1151 Q C 2.216 178.393 176.000 0.294 0.000 0.958 1151 Q CA 1.591 57.573 55.803 0.299 0.000 0.841 1151 Q CB -0.685 28.171 28.738 0.196 0.000 0.915 1151 Q HN 0.668 nan 8.270 nan 0.000 0.455 1152 G N 0.142 109.194 108.800 0.419 0.000 2.559 1152 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 1152 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 1152 G C -0.206 174.920 174.900 0.376 0.000 1.126 1152 G CA -0.395 44.985 45.100 0.466 0.000 0.778 1152 G HN 0.220 nan 8.290 nan 0.000 0.543 1153 W N 1.841 123.066 121.300 -0.124 0.000 2.356 1153 W HA 0.419 5.079 4.660 -0.000 0.000 0.311 1153 W C 0.982 177.300 176.519 -0.336 0.000 1.328 1153 W CA -1.361 55.732 57.345 -0.421 0.000 1.251 1153 W CB 0.739 29.755 29.460 -0.740 0.000 1.280 1153 W HN -0.090 nan 8.180 nan 0.000 0.524 1154 K N 3.502 123.461 120.400 -0.735 0.000 2.574 1154 K HA -0.036 4.284 4.320 -0.000 0.000 0.193 1154 K C 1.852 177.704 176.600 -1.247 0.000 1.035 1154 K CA 0.849 56.497 56.287 -1.065 0.000 0.982 1154 K CB 0.023 31.537 32.500 -1.644 0.000 0.795 1154 K HN 0.749 nan 8.250 nan 0.000 0.491 1155 G N 0.111 107.580 108.800 -2.219 0.000 2.492 1155 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 1155 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 1155 G C 1.428 175.582 174.900 -1.243 0.000 1.147 1155 G CA 0.053 43.843 45.100 -2.184 0.000 0.809 1155 G HN 0.138 nan 8.290 nan 0.000 0.533 1156 S N 1.911 116.994 115.700 -1.028 0.000 2.359 1156 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 1156 S C 0.129 174.260 174.600 -0.781 0.000 1.039 1156 S CA 1.769 59.532 58.200 -0.728 0.000 1.042 1156 S CB -0.925 61.756 63.200 -0.864 0.000 0.915 1156 S HN 0.280 nan 8.310 nan 0.000 0.439 1157 P HA -0.065 nan 4.420 nan 0.000 0.215 1157 P C 1.537 178.725 177.300 -0.187 0.000 1.157 1157 P CA 1.552 64.445 63.100 -0.346 0.000 0.868 1157 P CB -0.159 31.384 31.700 -0.262 0.000 0.788 1158 A N -0.715 121.954 122.820 -0.252 0.000 1.892 1158 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 1158 A C 2.234 179.740 177.584 -0.131 0.000 1.188 1158 A CA 1.786 53.704 52.037 -0.199 0.000 0.631 1158 A CB -1.696 17.120 19.000 -0.307 0.000 0.822 1158 A HN 0.112 nan 8.150 nan 0.000 0.447 1159 I N -2.434 118.086 120.570 -0.083 0.000 2.163 1159 I HA -0.195 3.975 4.170 -0.000 0.000 0.240 1159 I C 2.264 178.414 176.117 0.055 0.000 1.081 1159 I CA 1.466 62.782 61.300 0.027 0.000 1.353 1159 I CB -0.329 37.734 38.000 0.105 0.000 1.054 1159 I HN 0.379 nan 8.210 nan 0.000 0.407 1160 F N 1.544 121.436 119.950 -0.096 0.000 2.494 1160 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 1160 F C 2.509 178.292 175.800 -0.028 0.000 1.106 1160 F CA 1.161 59.144 58.000 -0.028 0.000 1.452 1160 F CB -0.382 38.627 39.000 0.015 0.000 1.085 1160 F HN 0.115 nan 8.300 nan 0.000 0.569 1161 Q N -0.325 119.493 119.800 0.030 0.000 2.173 1161 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 1161 Q C 2.204 178.135 176.000 -0.116 0.000 0.989 1161 Q CA 2.128 57.916 55.803 -0.026 0.000 0.872 1161 Q CB -0.164 28.553 28.738 -0.035 0.000 0.909 1161 Q HN 0.396 nan 8.270 nan 0.000 0.420 1162 S N -0.083 115.529 115.700 -0.147 0.000 2.368 1162 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 1162 S C 2.028 176.478 174.600 -0.250 0.000 1.030 1162 S CA 1.309 59.415 58.200 -0.157 0.000 0.999 1162 S CB -0.121 63.011 63.200 -0.113 0.000 0.844 1162 S HN 0.386 nan 8.310 nan 0.000 0.459 1163 S N 1.414 116.850 115.700 -0.440 0.000 2.371 1163 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 1163 S C 1.867 176.104 174.600 -0.605 0.000 1.029 1163 S CA 1.035 58.883 58.200 -0.587 0.000 0.978 1163 S CB -0.354 62.295 63.200 -0.919 0.000 0.833 1163 S HN 0.354 nan 8.310 nan 0.000 0.466 1164 M N 2.436 121.697 119.600 -0.565 0.000 2.144 1164 M HA -0.112 4.368 4.480 -0.000 0.000 0.260 1164 M C 1.805 177.963 176.300 -0.235 0.000 1.067 1164 M CA 1.635 56.784 55.300 -0.252 0.000 1.095 1164 M CB -1.412 31.198 32.600 0.016 0.000 1.365 1164 M HN 0.220 nan 8.290 nan 0.000 0.406 1165 T N 0.092 114.523 114.554 -0.205 0.000 2.821 1165 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 1165 T C 1.807 176.401 174.700 -0.176 0.000 1.046 1165 T CA 1.506 63.519 62.100 -0.146 0.000 1.139 1165 T CB -0.145 68.663 68.868 -0.099 0.000 0.871 1165 T HN 0.456 nan 8.240 nan 0.000 0.454 1166 K N 0.730 120.984 120.400 -0.244 0.000 2.026 1166 K HA 0.023 4.343 4.320 -0.000 0.000 0.208 1166 K C 2.244 178.629 176.600 -0.358 0.000 1.048 1166 K CA 1.146 57.295 56.287 -0.229 0.000 0.929 1166 K CB -0.381 31.991 32.500 -0.214 0.000 0.713 1166 K HN 0.312 nan 8.250 nan 0.000 0.439 1167 I N 1.429 121.581 120.570 -0.698 0.000 2.091 1167 I HA -0.340 3.830 4.170 -0.000 0.000 0.239 1167 I C 2.302 178.229 176.117 -0.317 0.000 1.061 1167 I CA 1.527 62.333 61.300 -0.825 0.000 1.317 1167 I CB -0.473 36.971 38.000 -0.927 0.000 1.031 1167 I HN 0.129 nan 8.210 nan 0.000 0.401 1168 L N 0.202 121.286 121.223 -0.232 0.000 2.131 1168 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 1168 L C 2.478 179.323 176.870 -0.040 0.000 1.092 1168 L CA 1.037 55.807 54.840 -0.115 0.000 0.759 1168 L CB -0.714 41.303 42.059 -0.070 0.000 0.903 1168 L HN 0.347 nan 8.230 nan 0.000 0.435 1169 E N 0.565 120.735 120.200 -0.051 0.000 2.164 1169 E HA -0.294 4.056 4.350 -0.000 0.000 0.233 1169 E C -0.496 176.106 176.600 0.004 0.000 1.073 1169 E CA 2.721 59.112 56.400 -0.015 0.000 0.941 1169 E CB -0.766 28.928 29.700 -0.010 0.000 0.820 1169 E HN 0.302 nan 8.360 nan 0.000 0.486 1170 P HA -0.166 nan 4.420 nan 0.000 0.214 1170 P C 1.221 178.503 177.300 -0.031 0.000 1.163 1170 P CA 1.373 64.498 63.100 0.041 0.000 0.889 1170 P CB -0.254 31.538 31.700 0.152 0.000 0.790 1171 F N 0.949 120.709 119.950 -0.317 0.000 2.154 1171 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 1171 F C 1.833 177.536 175.800 -0.162 0.000 1.087 1171 F CA 1.699 59.484 58.000 -0.358 0.000 1.274 1171 F CB -0.330 38.347 39.000 -0.538 0.000 1.009 1171 F HN -0.210 nan 8.300 nan 0.000 0.485 1172 K N 0.041 120.424 120.400 -0.028 0.000 2.062 1172 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 1172 K C 2.158 178.688 176.600 -0.116 0.000 1.051 1172 K CA 1.256 57.504 56.287 -0.065 0.000 0.941 1172 K CB -0.253 32.259 32.500 0.020 0.000 0.719 1172 K HN 0.220 nan 8.250 nan 0.000 0.440 1173 K N 1.506 121.857 120.400 -0.082 0.000 2.097 1173 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 1173 K C 1.811 178.351 176.600 -0.099 0.000 1.049 1173 K CA 1.375 57.621 56.287 -0.067 0.000 0.933 1173 K CB 0.170 32.650 32.500 -0.033 0.000 0.717 1173 K HN 0.142 nan 8.250 nan 0.000 0.442 1174 Q N -0.354 119.359 119.800 -0.145 0.000 2.451 1174 Q HA 0.050 4.390 4.340 -0.000 0.000 0.206 1174 Q C -0.270 175.587 176.000 -0.237 0.000 0.947 1174 Q CA 0.366 56.074 55.803 -0.159 0.000 0.937 1174 Q CB 0.485 29.141 28.738 -0.138 0.000 1.025 1174 Q HN 0.190 nan 8.270 nan 0.000 0.511 1175 N N 0.109 118.616 118.700 -0.321 0.000 2.711 1175 N HA 0.144 4.884 4.740 -0.000 0.000 0.263 1175 N C -2.434 172.952 175.510 -0.207 0.000 1.667 1175 N CA -0.844 52.006 53.050 -0.334 0.000 0.785 1175 N CB 1.439 39.534 38.487 -0.653 0.000 1.231 1175 N HN -0.025 nan 8.380 nan 0.000 0.503 1176 P HA -0.061 nan 4.420 nan 0.000 0.219 1176 P C 0.345 177.613 177.300 -0.054 0.000 1.146 1176 P CA 1.189 64.243 63.100 -0.076 0.000 0.808 1176 P CB 0.372 32.037 31.700 -0.059 0.000 0.779 1177 D N -0.991 119.375 120.400 -0.056 0.000 2.370 1177 D HA 0.159 4.799 4.640 -0.000 0.000 0.230 1177 D C 0.361 176.654 176.300 -0.012 0.000 1.143 1177 D CA 0.218 54.199 54.000 -0.031 0.000 0.834 1177 D CB 0.031 40.815 40.800 -0.028 0.000 0.944 1177 D HN 0.243 nan 8.370 nan 0.000 0.504 1178 I N 1.657 122.221 120.570 -0.009 0.000 2.389 1178 I HA 0.139 4.309 4.170 -0.000 0.000 0.288 1178 I C 0.049 176.208 176.117 0.070 0.000 0.999 1178 I CA -1.080 60.250 61.300 0.049 0.000 1.129 1178 I CB 2.061 40.107 38.000 0.077 0.000 1.288 1178 I HN -0.275 nan 8.210 nan 0.000 0.444 1179 V N 5.614 125.570 119.914 0.070 0.000 2.465 1179 V HA 0.535 4.655 4.120 -0.000 0.000 0.279 1179 V C -0.141 176.019 176.094 0.111 0.000 1.045 1179 V CA -0.408 61.929 62.300 0.062 0.000 0.938 1179 V CB 1.352 33.182 31.823 0.011 0.000 0.986 1179 V HN 0.487 nan 8.190 nan 0.000 0.467 1180 I N 5.364 126.006 120.570 0.120 0.000 2.436 1180 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 1180 I C -1.257 174.989 176.117 0.214 0.000 1.010 1180 I CA -0.614 60.775 61.300 0.148 0.000 1.098 1180 I CB 1.918 39.985 38.000 0.112 0.000 1.266 1180 I HN 0.787 nan 8.210 nan 0.000 0.434 1181 Y N 6.452 126.815 120.300 0.105 0.000 2.406 1181 Y HA 0.416 4.966 4.550 -0.000 0.000 0.340 1181 Y C -0.861 175.185 175.900 0.243 0.000 0.975 1181 Y CA -0.901 57.268 58.100 0.115 0.000 1.056 1181 Y CB 1.627 40.099 38.460 0.021 0.000 1.210 1181 Y HN 0.530 nan 8.280 nan 0.000 0.448 1182 Q N 5.179 124.821 119.800 -0.263 0.000 2.271 1182 Q HA 0.386 4.726 4.340 -0.000 0.000 0.258 1182 Q C -2.194 173.515 176.000 -0.485 0.000 0.936 1182 Q CA -0.867 54.799 55.803 -0.229 0.000 0.909 1182 Q CB 1.380 30.091 28.738 -0.045 0.000 1.253 1182 Q HN 0.770 nan 8.270 nan 0.000 0.440 1183 Y N 5.259 125.388 120.300 -0.286 0.000 2.344 1183 Y HA 0.210 4.760 4.550 -0.000 0.000 0.328 1183 Y C -0.635 175.299 175.900 0.058 0.000 1.067 1183 Y CA -0.769 57.219 58.100 -0.186 0.000 1.247 1183 Y CB 0.977 39.313 38.460 -0.207 0.000 1.113 1183 Y HN 0.866 nan 8.280 nan 0.000 0.465 1184 M N 6.200 125.496 119.600 -0.507 0.000 3.740 1184 M HA -0.363 4.116 4.480 -0.000 0.000 0.160 1184 M C -0.403 175.925 176.300 0.048 0.000 1.480 1184 M CA 2.289 57.405 55.300 -0.307 0.000 1.002 1184 M CB -0.637 31.636 32.600 -0.545 0.000 1.322 1184 M HN 1.059 nan 8.290 nan 0.000 0.434 1185 D N -0.260 120.213 120.400 0.122 0.000 2.001 1185 D HA -0.151 4.489 4.640 -0.000 0.000 0.175 1185 D C -0.630 175.654 176.300 -0.027 0.000 1.313 1185 D CA 2.177 56.209 54.000 0.052 0.000 1.259 1185 D CB -0.447 40.397 40.800 0.073 0.000 1.284 1185 D HN 0.809 nan 8.370 nan 0.000 0.549 1186 D N 0.085 120.526 120.400 0.069 0.000 2.340 1186 D HA 0.545 5.185 4.640 -0.000 0.000 0.240 1186 D C 0.013 176.289 176.300 -0.040 0.000 1.001 1186 D CA -0.435 53.551 54.000 -0.024 0.000 0.888 1186 D CB 1.634 42.413 40.800 -0.034 0.000 1.310 1186 D HN 0.033 nan 8.370 nan 0.000 0.474 1187 L N 1.455 122.584 121.223 -0.157 0.000 2.329 1187 L HA 0.364 4.704 4.340 -0.000 0.000 0.279 1187 L C -1.072 175.678 176.870 -0.199 0.000 1.014 1187 L CA -0.833 53.958 54.840 -0.081 0.000 0.814 1187 L CB 1.132 43.141 42.059 -0.083 0.000 1.257 1187 L HN 0.279 nan 8.230 nan 0.000 0.424 1188 Y N 2.433 122.753 120.300 0.033 0.000 2.331 1188 Y HA 0.479 5.029 4.550 -0.000 0.000 0.338 1188 Y C -0.134 175.807 175.900 0.069 0.000 0.992 1188 Y CA -0.744 57.402 58.100 0.076 0.000 1.121 1188 Y CB 1.984 40.537 38.460 0.155 0.000 1.184 1188 Y HN 0.121 nan 8.280 nan 0.000 0.469 1189 V N 3.207 123.203 119.914 0.136 0.000 2.407 1189 V HA 0.765 4.885 4.120 -0.000 0.000 0.291 1189 V C 0.028 176.235 176.094 0.187 0.000 1.018 1189 V CA -0.700 61.676 62.300 0.127 0.000 0.842 1189 V CB 1.524 33.367 31.823 0.034 0.000 0.996 1189 V HN 0.916 nan 8.190 nan 0.000 0.426 1190 G N 2.765 111.669 108.800 0.173 0.000 2.542 1190 G HA2 0.779 4.739 3.960 -0.000 0.000 0.311 1190 G HA3 0.779 4.739 3.960 -0.000 0.000 0.311 1190 G C -0.679 174.309 174.900 0.146 0.000 1.298 1190 G CA -0.264 44.924 45.100 0.148 0.000 0.973 1190 G HN 0.941 nan 8.290 nan 0.000 0.487 1191 S N -0.164 115.620 115.700 0.140 0.000 2.607 1191 S HA 0.514 4.984 4.470 -0.000 0.000 0.273 1191 S C -0.874 173.736 174.600 0.017 0.000 1.148 1191 S CA -0.805 57.467 58.200 0.119 0.000 0.833 1191 S CB 2.407 65.761 63.200 0.256 0.000 1.130 1191 S HN 0.314 nan 8.310 nan 0.000 0.470 1192 D N 0.742 121.148 120.400 0.010 0.000 2.358 1192 D HA 0.274 4.914 4.640 -0.000 0.000 0.224 1192 D C 0.206 176.503 176.300 -0.006 0.000 1.123 1192 D CA -0.021 53.965 54.000 -0.024 0.000 0.833 1192 D CB -0.086 40.697 40.800 -0.029 0.000 0.946 1192 D HN 0.247 nan 8.370 nan 0.000 0.505 1193 L N 1.054 122.299 121.223 0.037 0.000 2.468 1193 L HA 0.050 4.390 4.340 -0.000 0.000 0.253 1193 L C 1.206 178.096 176.870 0.033 0.000 1.237 1193 L CA 0.203 55.075 54.840 0.052 0.000 0.823 1193 L CB 0.306 42.432 42.059 0.113 0.000 1.124 1193 L HN -0.107 nan 8.230 nan 0.000 0.504 1194 E N 0.145 120.368 120.200 0.037 0.000 2.343 1194 E HA 0.038 4.388 4.350 -0.000 0.000 0.269 1194 E C 1.113 177.749 176.600 0.059 0.000 1.047 1194 E CA -0.531 55.883 56.400 0.023 0.000 0.874 1194 E CB 1.111 30.820 29.700 0.015 0.000 1.033 1194 E HN 0.400 nan 8.360 nan 0.000 0.409 1195 I N 3.032 123.627 120.570 0.041 0.000 2.182 1195 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 1195 I C 1.916 178.099 176.117 0.111 0.000 1.073 1195 I CA 2.280 63.629 61.300 0.081 0.000 1.335 1195 I CB -0.664 37.366 38.000 0.050 0.000 1.031 1195 I HN 0.762 nan 8.210 nan 0.000 0.420 1196 G N -1.190 107.653 108.800 0.072 0.000 2.453 1196 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.215 1196 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.215 1196 G C 1.537 176.482 174.900 0.074 0.000 1.201 1196 G CA 0.783 45.921 45.100 0.064 0.000 0.784 1196 G HN 0.516 nan 8.290 nan 0.000 0.545 1197 Q N -0.753 119.091 119.800 0.073 0.000 2.135 1197 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 1197 Q C 2.241 178.298 176.000 0.095 0.000 0.981 1197 Q CA 1.568 57.413 55.803 0.070 0.000 0.856 1197 Q CB -0.216 28.557 28.738 0.059 0.000 0.902 1197 Q HN 0.751 nan 8.270 nan 0.000 0.425 1198 H N 0.789 119.881 119.070 0.036 0.000 2.256 1198 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 1198 H C 1.962 177.320 175.328 0.050 0.000 1.071 1198 H CA 1.883 57.958 56.048 0.045 0.000 1.280 1198 H CB 0.116 29.901 29.762 0.039 0.000 1.370 1198 H HN 0.015 nan 8.280 nan 0.000 0.490 1199 R N -0.695 119.867 120.500 0.104 0.000 2.154 1199 R HA -0.148 4.192 4.340 -0.000 0.000 0.248 1199 R C 2.266 178.557 176.300 -0.014 0.000 1.155 1199 R CA 1.883 58.001 56.100 0.029 0.000 0.979 1199 R CB -0.426 29.924 30.300 0.083 0.000 0.869 1199 R HN 0.434 nan 8.270 nan 0.000 0.452 1200 T N 0.646 115.208 114.554 0.014 0.000 2.737 1200 T HA -0.091 4.259 4.350 -0.000 0.000 0.265 1200 T C 1.644 176.360 174.700 0.027 0.000 1.038 1200 T CA 1.097 63.210 62.100 0.022 0.000 1.144 1200 T CB -0.066 68.823 68.868 0.035 0.000 0.866 1200 T HN 0.046 nan 8.240 nan 0.000 0.434 1201 K N 0.730 121.142 120.400 0.021 0.000 2.280 1201 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 1201 K C 1.900 178.556 176.600 0.093 0.000 1.047 1201 K CA 0.542 56.891 56.287 0.103 0.000 0.942 1201 K CB -0.408 32.150 32.500 0.095 0.000 0.739 1201 K HN 0.239 nan 8.250 nan 0.000 0.457 1202 I N 0.460 120.981 120.570 -0.081 0.000 2.193 1202 I HA -0.181 3.989 4.170 -0.000 0.000 0.240 1202 I C 2.158 178.232 176.117 -0.072 0.000 1.084 1202 I CA 1.242 62.462 61.300 -0.133 0.000 1.365 1202 I CB -1.080 36.814 38.000 -0.177 0.000 1.064 1202 I HN 0.225 nan 8.210 nan 0.000 0.410 1203 E N 1.549 121.733 120.200 -0.027 0.000 2.097 1203 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 1203 E C 2.090 178.705 176.600 0.026 0.000 1.000 1203 E CA 1.886 58.283 56.400 -0.004 0.000 0.804 1203 E CB -0.286 29.419 29.700 0.009 0.000 0.740 1203 E HN 0.452 nan 8.360 nan 0.000 0.454 1204 E N -0.748 119.502 120.200 0.084 0.000 2.070 1204 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 1204 E C 2.049 178.782 176.600 0.220 0.000 1.004 1204 E CA 1.405 57.916 56.400 0.184 0.000 0.805 1204 E CB -0.309 29.574 29.700 0.304 0.000 0.744 1204 E HN 0.325 nan 8.360 nan 0.000 0.451 1205 L N 1.098 122.322 121.223 0.002 0.000 2.083 1205 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 1205 L C 2.136 178.938 176.870 -0.114 0.000 1.083 1205 L CA 1.699 56.325 54.840 -0.355 0.000 0.752 1205 L CB -0.235 41.314 42.059 -0.849 0.000 0.899 1205 L HN -0.006 nan 8.230 nan 0.000 0.433 1206 R N -1.066 119.390 120.500 -0.074 0.000 2.120 1206 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 1206 R C 2.221 178.529 176.300 0.013 0.000 1.123 1206 R CA 1.244 57.322 56.100 -0.038 0.000 0.975 1206 R CB -0.338 29.939 30.300 -0.038 0.000 0.866 1206 R HN 0.456 nan 8.270 nan 0.000 0.446 1207 Q N -0.276 119.538 119.800 0.023 0.000 2.119 1207 Q HA -0.136 4.204 4.340 -0.000 0.000 0.201 1207 Q C 1.985 177.987 176.000 0.003 0.000 0.972 1207 Q CA 1.398 57.198 55.803 -0.004 0.000 0.847 1207 Q CB -0.195 28.515 28.738 -0.045 0.000 0.903 1207 Q HN 0.597 nan 8.270 nan 0.000 0.433 1208 H N 0.386 119.495 119.070 0.064 0.000 2.299 1208 H HA -0.025 4.531 4.556 -0.000 0.000 0.302 1208 H C 2.374 177.819 175.328 0.195 0.000 1.078 1208 H CA 1.046 57.176 56.048 0.136 0.000 1.323 1208 H CB -0.106 29.702 29.762 0.077 0.000 1.381 1208 H HN 0.161 nan 8.280 nan 0.000 0.498 1209 L N 0.351 121.695 121.223 0.202 0.000 1.990 1209 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 1209 L C 2.734 179.738 176.870 0.222 0.000 1.072 1209 L CA 0.893 55.822 54.840 0.149 0.000 0.755 1209 L CB -0.565 41.509 42.059 0.025 0.000 0.889 1209 L HN 0.179 nan 8.230 nan 0.000 0.432 1210 L N 0.147 121.450 121.223 0.133 0.000 2.151 1210 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 1210 L C 2.424 179.364 176.870 0.117 0.000 1.084 1210 L CA 1.774 56.673 54.840 0.098 0.000 0.764 1210 L CB -0.587 41.498 42.059 0.044 0.000 0.891 1210 L HN 0.086 nan 8.230 nan 0.000 0.435 1211 R N -1.846 118.755 120.500 0.168 0.000 2.316 1211 R HA -0.065 4.275 4.340 -0.000 0.000 0.202 1211 R C 0.444 176.684 176.300 -0.099 0.000 1.029 1211 R CA 0.738 56.859 56.100 0.035 0.000 1.018 1211 R CB -0.413 29.884 30.300 -0.006 0.000 0.888 1211 R HN 0.504 nan 8.270 nan 0.000 0.471 1212 W N -0.314 121.012 121.300 0.043 0.000 2.570 1212 W HA 0.430 5.090 4.660 -0.000 0.000 0.410 1212 W C 0.383 176.939 176.519 0.063 0.000 0.889 1212 W CA -0.560 56.822 57.345 0.061 0.000 2.386 1212 W CB -0.046 29.464 29.460 0.083 0.000 1.228 1212 W HN 0.066 nan 8.180 nan 0.000 0.692 1213 G N 2.521 111.427 108.800 0.177 0.000 2.381 1213 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.281 1213 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.281 1213 G C -1.096 173.877 174.900 0.122 0.000 0.984 1213 G CA 0.075 45.249 45.100 0.123 0.000 1.339 1213 G HN 0.483 nan 8.290 nan 0.000 0.485 1214 L N 1.204 122.484 121.223 0.095 0.000 2.845 1214 L HA 0.515 4.855 4.340 -0.000 0.000 0.253 1214 L C 0.408 177.287 176.870 0.016 0.000 0.959 1214 L CA 0.065 54.930 54.840 0.042 0.000 1.001 1214 L CB 0.838 42.928 42.059 0.053 0.000 1.374 1214 L HN 0.336 nan 8.230 nan 0.000 0.469 1215 T N 1.271 115.819 114.554 -0.008 0.000 2.833 1215 T HA 0.816 5.166 4.350 -0.000 0.000 0.312 1215 T C 0.264 174.938 174.700 -0.043 0.000 1.085 1215 T CA 0.234 62.324 62.100 -0.017 0.000 0.955 1215 T CB 0.911 69.770 68.868 -0.015 0.000 1.353 1215 T HN 0.799 nan 8.240 nan 0.000 0.544 1216 T N -2.231 112.296 114.554 -0.044 0.000 2.731 1216 T HA 0.602 4.952 4.350 -0.000 0.000 0.300 1216 T C -2.764 171.906 174.700 -0.051 0.000 1.283 1216 T CA -1.351 60.713 62.100 -0.059 0.000 1.005 1216 T CB -0.279 68.553 68.868 -0.060 0.000 1.420 1216 T HN 0.354 nan 8.240 nan 0.000 0.503 1232 Y N -0.383 119.905 120.300 -0.021 0.000 2.839 1232 Y HA -0.140 4.410 4.550 -0.000 0.000 0.035 1232 Y C -0.934 174.952 175.900 -0.023 0.000 2.136 1232 Y CA -0.074 58.013 58.100 -0.022 0.000 1.175 1232 Y CB -1.238 37.198 38.460 -0.039 0.000 1.861 1232 Y HN 0.770 nan 8.280 nan 0.000 0.290 1233 E N 6.710 126.779 120.200 -0.218 0.000 2.171 1233 E HA 0.727 5.077 4.350 -0.000 0.000 0.271 1233 E C -0.661 175.618 176.600 -0.535 0.000 0.916 1233 E CA -1.096 55.085 56.400 -0.366 0.000 0.774 1233 E CB 2.154 31.722 29.700 -0.220 0.000 1.128 1233 E HN 0.447 nan 8.360 nan 0.000 0.403 1234 L N 2.550 123.425 121.223 -0.580 0.000 2.334 1234 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 1234 L C -0.103 176.346 176.870 -0.702 0.000 1.020 1234 L CA -0.961 53.605 54.840 -0.455 0.000 0.812 1234 L CB 1.130 43.073 42.059 -0.194 0.000 1.264 1234 L HN 0.518 nan 8.230 nan 0.000 0.439 1235 H N 1.497 120.425 119.070 -0.237 0.000 2.423 1235 H HA 0.206 4.762 4.556 -0.000 0.000 0.237 1235 H C -2.081 172.791 175.328 -0.760 0.000 1.391 1235 H CA -1.758 54.073 56.048 -0.362 0.000 1.453 1235 H CB 1.102 30.752 29.762 -0.187 0.000 1.484 1235 H HN 0.335 nan 8.280 nan 0.000 0.505 1236 P HA -0.173 nan 4.420 nan 0.000 0.215 1236 P C 1.577 178.409 177.300 -0.780 0.000 1.153 1236 P CA 1.270 63.360 63.100 -1.683 0.000 0.853 1236 P CB 0.349 31.357 31.700 -1.154 0.000 0.788 1237 D N 0.100 120.245 120.400 -0.425 0.000 2.354 1237 D HA -0.191 4.449 4.640 -0.000 0.000 0.216 1237 D C 0.885 177.108 176.300 -0.128 0.000 0.970 1237 D CA 1.084 54.957 54.000 -0.212 0.000 0.905 1237 D CB -0.437 40.270 40.800 -0.155 0.000 0.903 1237 D HN 0.240 nan 8.370 nan 0.000 0.508 1238 K N -0.409 119.903 120.400 -0.147 0.000 2.514 1238 K HA 0.092 4.412 4.320 -0.000 0.000 0.207 1238 K C -0.525 176.192 176.600 0.195 0.000 1.035 1238 K CA -0.596 55.697 56.287 0.009 0.000 1.113 1238 K CB 0.402 32.911 32.500 0.016 0.000 0.846 1238 K HN 0.039 nan 8.250 nan 0.000 0.491 1239 W N 1.440 122.753 121.300 0.021 0.000 2.342 1239 W HA 0.246 4.906 4.660 -0.000 0.000 0.310 1239 W C 0.494 177.027 176.519 0.023 0.000 1.128 1239 W CA -0.845 56.517 57.345 0.029 0.000 1.322 1239 W CB 0.821 30.287 29.460 0.009 0.000 1.251 1239 W HN -0.171 nan 8.180 nan 0.000 0.439 1240 T N 1.927 116.626 114.554 0.240 0.000 2.932 1240 T HA 0.599 4.949 4.350 -0.000 0.000 0.289 1240 T C -0.270 174.495 174.700 0.108 0.000 1.039 1240 T CA -0.498 61.688 62.100 0.144 0.000 1.024 1240 T CB 1.225 70.159 68.868 0.111 0.000 1.090 1240 T HN -0.012 nan 8.240 nan 0.000 0.496 1241 V N 3.458 123.423 119.914 0.084 0.000 2.963 1241 V HA 0.238 4.358 4.120 -0.000 0.000 0.306 1241 V C 0.388 176.521 176.094 0.064 0.000 1.077 1241 V CA -0.174 62.166 62.300 0.067 0.000 1.124 1241 V CB 1.088 32.952 31.823 0.067 0.000 0.987 1241 V HN 0.832 nan 8.190 nan 0.000 0.487 1242 Q N 5.115 124.945 119.800 0.049 0.000 2.509 1242 Q HA 0.391 4.731 4.340 -0.000 0.000 0.236 1242 Q C -2.556 173.505 176.000 0.102 0.000 1.073 1242 Q CA -2.000 53.840 55.803 0.061 0.000 0.867 1242 Q CB 0.902 29.640 28.738 -0.000 0.000 1.181 1242 Q HN 0.495 nan 8.270 nan 0.000 0.526 1243 P HA 0.049 nan 4.420 nan 0.000 0.270 1243 P C -0.611 176.750 177.300 0.101 0.000 1.227 1243 P CA 0.085 63.247 63.100 0.104 0.000 0.788 1243 P CB 0.596 32.344 31.700 0.080 0.000 0.926 1244 I N 1.007 121.597 120.570 0.034 0.000 2.291 1244 I HA 0.141 4.311 4.170 -0.000 0.000 0.290 1244 I C 0.321 176.384 176.117 -0.090 0.000 1.050 1244 I CA -0.879 60.411 61.300 -0.017 0.000 1.245 1244 I CB 0.600 38.550 38.000 -0.083 0.000 1.405 1244 I HN 0.068 nan 8.210 nan 0.000 0.478 1245 V N 5.583 125.396 119.914 -0.169 0.000 2.732 1245 V HA 0.502 4.622 4.120 -0.000 0.000 0.297 1245 V C -0.176 175.794 176.094 -0.207 0.000 1.060 1245 V CA -0.629 61.573 62.300 -0.164 0.000 1.038 1245 V CB 1.362 33.093 31.823 -0.153 0.000 1.003 1245 V HN 0.496 nan 8.190 nan 0.000 0.481 1246 L N 4.056 125.213 121.223 -0.110 0.000 2.313 1246 L HA 0.560 4.900 4.340 -0.000 0.000 0.283 1246 L C -2.132 174.728 176.870 -0.017 0.000 1.013 1246 L CA -1.780 53.016 54.840 -0.072 0.000 0.816 1246 L CB 1.698 43.747 42.059 -0.017 0.000 1.236 1246 L HN 0.513 nan 8.230 nan 0.000 0.419 1247 P HA 0.009 nan 4.420 nan 0.000 0.270 1247 P C -0.902 176.508 177.300 0.184 0.000 1.216 1247 P CA 0.073 63.239 63.100 0.110 0.000 0.788 1247 P CB 0.412 32.222 31.700 0.183 0.000 0.883 1248 E N 0.408 120.671 120.200 0.104 0.000 2.874 1248 E HA 0.157 4.507 4.350 -0.000 0.000 0.320 1248 E C -0.744 175.768 176.600 -0.147 0.000 1.141 1248 E CA -0.419 55.954 56.400 -0.045 0.000 0.774 1248 E CB 0.862 30.537 29.700 -0.043 0.000 1.542 1248 E HN 0.270 nan 8.360 nan 0.000 0.380 1249 K N 1.461 121.661 120.400 -0.333 0.000 2.156 1249 K HA 0.236 4.556 4.320 -0.000 0.000 0.250 1249 K C 0.354 176.656 176.600 -0.496 0.000 0.955 1249 K CA -0.524 55.594 56.287 -0.281 0.000 0.855 1249 K CB 1.116 33.631 32.500 0.025 0.000 1.101 1249 K HN 0.162 nan 8.250 nan 0.000 0.434 1250 D N 0.594 120.836 120.400 -0.264 0.000 2.117 1250 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 1250 D C 0.937 177.087 176.300 -0.250 0.000 0.982 1250 D CA 1.068 54.923 54.000 -0.243 0.000 0.828 1250 D CB 0.222 40.947 40.800 -0.126 0.000 0.967 1250 D HN 0.375 nan 8.370 nan 0.000 0.464 1251 S N -1.687 113.938 115.700 -0.125 0.000 2.477 1251 S HA 0.330 4.800 4.470 -0.000 0.000 0.261 1251 S C -0.971 173.736 174.600 0.178 0.000 1.197 1251 S CA -0.303 57.903 58.200 0.011 0.000 1.015 1251 S CB 0.696 63.946 63.200 0.083 0.000 1.077 1251 S HN 0.374 nan 8.310 nan 0.000 0.505 1252 W N 0.012 121.307 121.300 -0.009 0.000 4.618 1252 W HA 0.179 4.839 4.660 0.000 0.000 0.245 1252 W C -1.152 175.362 176.519 -0.008 0.000 1.352 1252 W CA -0.849 56.490 57.345 -0.010 0.000 1.431 1252 W CB 0.382 29.836 29.460 -0.010 0.000 1.064 1252 W HN 0.876 nan 8.180 nan 0.000 0.504 1253 T N -0.788 113.824 114.554 0.097 0.000 2.940 1253 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 1253 T C 0.590 175.232 174.700 -0.095 0.000 1.033 1253 T CA -0.635 61.471 62.100 0.010 0.000 1.033 1253 T CB 1.923 70.797 68.868 0.011 0.000 1.079 1253 T HN 0.139 nan 8.240 nan 0.000 0.496 1254 V N 1.827 121.702 119.914 -0.066 0.000 2.317 1254 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 1254 V C 2.838 178.860 176.094 -0.121 0.000 1.065 1254 V CA 2.583 64.830 62.300 -0.089 0.000 1.049 1254 V CB -1.279 30.514 31.823 -0.051 0.000 0.651 1254 V HN 1.003 nan 8.190 nan 0.000 0.450 1255 N N 0.512 119.154 118.700 -0.097 0.000 2.043 1255 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 1255 N C 1.488 176.902 175.510 -0.159 0.000 1.037 1255 N CA 1.967 54.958 53.050 -0.098 0.000 0.851 1255 N CB -0.339 38.111 38.487 -0.062 0.000 1.027 1255 N HN 0.502 nan 8.380 nan 0.000 0.422 1256 D N -0.051 120.223 120.400 -0.210 0.000 2.149 1256 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 1256 D C 1.887 177.865 176.300 -0.536 0.000 0.990 1256 D CA 0.906 54.692 54.000 -0.357 0.000 0.839 1256 D CB -0.379 40.173 40.800 -0.413 0.000 0.948 1256 D HN 0.479 nan 8.370 nan 0.000 0.460 1257 I N 0.221 120.471 120.570 -0.533 0.000 2.500 1257 I HA -0.136 4.034 4.170 -0.000 0.000 0.252 1257 I C 1.966 177.925 176.117 -0.264 0.000 1.142 1257 I CA 1.114 62.120 61.300 -0.489 0.000 1.451 1257 I CB -0.175 37.567 38.000 -0.429 0.000 1.093 1257 I HN -0.126 nan 8.210 nan 0.000 0.430 1258 Q N 0.579 120.262 119.800 -0.195 0.000 2.084 1258 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 1258 Q C 2.158 178.096 176.000 -0.104 0.000 0.978 1258 Q CA 1.831 57.562 55.803 -0.120 0.000 0.844 1258 Q CB -0.093 28.591 28.738 -0.089 0.000 0.898 1258 Q HN 0.553 nan 8.270 nan 0.000 0.426 1259 K N 0.666 120.992 120.400 -0.124 0.000 2.026 1259 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 1259 K C 2.085 178.624 176.600 -0.100 0.000 1.048 1259 K CA 0.839 57.069 56.287 -0.094 0.000 0.929 1259 K CB -0.254 32.180 32.500 -0.109 0.000 0.713 1259 K HN 0.151 nan 8.250 nan 0.000 0.439 1260 L N 1.191 122.316 121.223 -0.164 0.000 2.189 1260 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 1260 L C 1.890 178.713 176.870 -0.078 0.000 1.097 1260 L CA 0.994 55.747 54.840 -0.144 0.000 0.764 1260 L CB 0.012 41.936 42.059 -0.225 0.000 0.900 1260 L HN 0.020 nan 8.230 nan 0.000 0.436 1261 V N -1.205 118.665 119.914 -0.073 0.000 2.878 1261 V HA -0.027 4.093 4.120 -0.000 0.000 0.250 1261 V C 2.461 178.557 176.094 0.003 0.000 1.075 1261 V CA 1.266 63.545 62.300 -0.035 0.000 1.096 1261 V CB -0.458 31.337 31.823 -0.047 0.000 0.724 1261 V HN 0.563 nan 8.190 nan 0.000 0.467 1262 G N 0.144 108.952 108.800 0.013 0.000 2.414 1262 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 1262 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 1262 G C 1.609 176.618 174.900 0.181 0.000 1.188 1262 G CA 1.052 46.200 45.100 0.080 0.000 0.783 1262 G HN 0.470 nan 8.290 nan 0.000 0.537 1263 K N 0.024 120.499 120.400 0.125 0.000 2.057 1263 K HA 0.072 4.392 4.320 -0.000 0.000 0.207 1263 K C 2.545 179.248 176.600 0.172 0.000 1.049 1263 K CA 0.751 57.123 56.287 0.142 0.000 0.931 1263 K CB -0.294 32.192 32.500 -0.023 0.000 0.714 1263 K HN 0.314 nan 8.250 nan 0.000 0.440 1264 L N 1.303 122.575 121.223 0.082 0.000 2.042 1264 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 1264 L C 2.426 179.355 176.870 0.098 0.000 1.076 1264 L CA 1.712 56.591 54.840 0.064 0.000 0.749 1264 L CB -0.695 41.378 42.059 0.023 0.000 0.893 1264 L HN 0.399 nan 8.230 nan 0.000 0.432 1265 N N -0.534 118.222 118.700 0.094 0.000 2.094 1265 N HA -0.285 4.455 4.740 -0.000 0.000 0.191 1265 N C 1.811 177.383 175.510 0.102 0.000 1.023 1265 N CA 1.547 54.631 53.050 0.057 0.000 0.857 1265 N CB -0.236 38.254 38.487 0.004 0.000 1.013 1265 N HN 0.327 nan 8.380 nan 0.000 0.426 1266 W N 1.188 122.514 121.300 0.043 0.000 2.333 1266 W HA 0.003 4.663 4.660 -0.000 0.000 0.316 1266 W C 1.737 178.342 176.519 0.144 0.000 1.215 1266 W CA 1.752 59.170 57.345 0.121 0.000 1.278 1266 W CB -1.044 28.533 29.460 0.195 0.000 1.154 1266 W HN 0.209 nan 8.180 nan 0.000 0.486 1267 A N 0.153 123.183 122.820 0.351 0.000 2.265 1267 A HA -0.048 4.272 4.320 -0.000 0.000 0.203 1267 A C 1.790 179.427 177.584 0.089 0.000 1.285 1267 A CA 1.646 53.732 52.037 0.083 0.000 0.839 1267 A CB -0.549 18.411 19.000 -0.067 0.000 0.758 1267 A HN 0.208 nan 8.150 nan 0.000 0.502 1268 S N -0.946 114.824 115.700 0.117 0.000 2.502 1268 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 1268 S C 1.394 176.037 174.600 0.072 0.000 1.061 1268 S CA 0.117 58.360 58.200 0.071 0.000 0.935 1268 S CB 0.022 63.237 63.200 0.025 0.000 0.809 1268 S HN 0.752 nan 8.310 nan 0.000 0.510 1269 Q N 0.811 120.654 119.800 0.072 0.000 2.239 1269 Q HA 0.415 4.755 4.340 -0.000 0.000 0.219 1269 Q C -0.555 175.537 176.000 0.153 0.000 0.901 1269 Q CA 0.200 56.030 55.803 0.045 0.000 0.949 1269 Q CB 0.086 28.772 28.738 -0.086 0.000 1.038 1269 Q HN 0.445 nan 8.270 nan 0.000 0.458 1270 I N -1.767 118.925 120.570 0.202 0.000 2.714 1270 I HA 0.024 4.194 4.170 -0.000 0.000 0.290 1270 I C -1.708 174.669 176.117 0.432 0.000 1.663 1270 I CA -0.699 60.779 61.300 0.296 0.000 1.011 1270 I CB 1.265 39.479 38.000 0.357 0.000 1.462 1270 I HN 0.191 nan 8.210 nan 0.000 0.476 1271 Y N 4.553 124.849 120.300 -0.007 0.000 3.027 1271 Y HA -0.105 4.445 4.550 -0.000 0.000 0.146 1271 Y C -2.287 173.617 175.900 0.006 0.000 1.924 1271 Y CA -0.137 57.959 58.100 -0.007 0.000 1.039 1271 Y CB -2.009 36.431 38.460 -0.033 0.000 1.555 1271 Y HN 0.341 nan 8.280 nan 0.000 0.371 1272 P HA 0.277 nan 4.420 nan 0.000 0.261 1272 P C 1.138 178.464 177.300 0.044 0.000 1.183 1272 P CA 1.833 64.972 63.100 0.064 0.000 0.761 1272 P CB 1.215 32.934 31.700 0.032 0.000 0.785 1273 G N 3.245 112.068 108.800 0.039 0.000 2.229 1273 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.189 1273 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.189 1273 G C 0.109 175.030 174.900 0.035 0.000 1.000 1273 G CA -0.554 44.560 45.100 0.025 0.000 0.663 1273 G HN 0.468 nan 8.290 nan 0.000 0.493 1274 I N 2.078 122.678 120.570 0.051 0.000 2.573 1274 I HA 0.191 4.361 4.170 -0.000 0.000 0.295 1274 I C 0.820 176.953 176.117 0.027 0.000 1.141 1274 I CA -0.100 61.226 61.300 0.043 0.000 1.364 1274 I CB 0.260 38.288 38.000 0.047 0.000 1.447 1274 I HN 0.137 nan 8.210 nan 0.000 0.571 1275 K N 6.325 126.737 120.400 0.021 0.000 2.339 1275 K HA 0.249 4.569 4.320 -0.000 0.000 0.286 1275 K C 0.514 177.121 176.600 0.013 0.000 1.050 1275 K CA -0.160 56.135 56.287 0.014 0.000 0.956 1275 K CB 0.779 33.286 32.500 0.012 0.000 0.990 1275 K HN 0.438 nan 8.250 nan 0.000 0.475 1276 V N 2.094 122.013 119.914 0.008 0.000 3.199 1276 V HA 0.350 4.470 4.120 -0.000 0.000 0.331 1276 V C 1.256 177.350 176.094 -0.001 0.000 1.446 1276 V CA -0.159 62.144 62.300 0.005 0.000 1.120 1276 V CB 0.103 31.928 31.823 0.004 0.000 1.051 1276 V HN 0.798 nan 8.190 nan 0.000 0.495 1277 R N 0.311 120.811 120.500 -0.000 0.000 2.189 1277 R HA 0.054 4.394 4.340 -0.000 0.000 0.218 1277 R C 2.028 178.327 176.300 -0.001 0.000 1.074 1277 R CA 1.799 57.897 56.100 -0.003 0.000 0.991 1277 R CB 0.059 30.358 30.300 -0.003 0.000 0.883 1277 R HN 0.735 nan 8.270 nan 0.000 0.457 1278 Q N -0.301 119.501 119.800 0.003 0.000 2.061 1278 Q HA -0.078 4.262 4.340 -0.000 0.000 0.195 1278 Q C 1.907 177.911 176.000 0.007 0.000 0.967 1278 Q CA 0.734 56.541 55.803 0.007 0.000 0.829 1278 Q CB -0.059 28.686 28.738 0.012 0.000 0.900 1278 Q HN 0.176 nan 8.270 nan 0.000 0.450 1279 L N 0.746 121.974 121.223 0.008 0.000 2.131 1279 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 1279 L C 1.186 178.050 176.870 -0.010 0.000 1.092 1279 L CA 1.045 55.889 54.840 0.006 0.000 0.759 1279 L CB -0.304 41.758 42.059 0.006 0.000 0.903 1279 L HN 0.302 nan 8.230 nan 0.000 0.435 1280 C N -0.361 118.932 119.300 -0.011 0.000 2.580 1280 C HA 0.230 4.690 4.460 -0.000 0.000 0.371 1280 C C 2.054 177.035 174.990 -0.014 0.000 1.308 1280 C CA -0.029 58.978 59.018 -0.018 0.000 2.428 1280 C CB 0.312 28.042 27.740 -0.017 0.000 2.529 1280 C HN 0.754 nan 8.230 nan 0.000 0.657 1281 K N 0.137 120.527 120.400 -0.017 0.000 3.572 1281 K HA -0.267 4.053 4.320 -0.000 0.000 0.306 1281 K C -0.444 176.149 176.600 -0.010 0.000 1.286 1281 K CA 1.181 57.460 56.287 -0.013 0.000 1.010 1281 K CB -1.297 31.198 32.500 -0.010 0.000 1.268 1281 K HN 0.653 nan 8.250 nan 0.000 0.438 1282 L N 2.172 123.389 121.223 -0.011 0.000 2.313 1282 L HA 0.309 4.649 4.340 -0.000 0.000 0.282 1282 L C -0.066 176.796 176.870 -0.013 0.000 1.092 1282 L CA 0.440 55.276 54.840 -0.006 0.000 0.831 1282 L CB 0.549 42.608 42.059 -0.001 0.000 1.159 1282 L HN 0.232 nan 8.230 nan 0.000 0.442 1283 L N 5.418 126.637 121.223 -0.006 0.000 3.671 1283 L HA -0.251 4.089 4.340 -0.000 0.000 0.609 1283 L C -0.085 176.775 176.870 -0.017 0.000 1.251 1283 L CA 0.282 55.117 54.840 -0.009 0.000 0.934 1283 L CB -1.462 40.590 42.059 -0.011 0.000 1.496 1283 L HN 0.647 nan 8.230 nan 0.000 0.854 1284 R N 0.423 120.915 120.500 -0.014 0.000 3.055 1284 R HA 0.920 5.260 4.340 -0.000 0.000 0.231 1284 R C 1.052 177.344 176.300 -0.013 0.000 1.443 1284 R CA -0.185 55.905 56.100 -0.017 0.000 1.063 1284 R CB 0.633 30.922 30.300 -0.017 0.000 1.514 1284 R HN 0.341 nan 8.270 nan 0.000 0.510 1285 G N -0.714 108.078 108.800 -0.014 0.000 2.979 1285 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.238 1285 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.238 1285 G C -0.623 174.269 174.900 -0.012 0.000 1.805 1285 G CA 0.122 45.215 45.100 -0.011 0.000 1.389 1285 G HN 0.532 nan 8.290 nan 0.000 0.517 1286 T N 1.725 116.273 114.554 -0.011 0.000 4.200 1286 T HA 0.362 4.712 4.350 -0.000 0.000 0.210 1286 T C -0.398 174.297 174.700 -0.010 0.000 0.898 1286 T CA -0.317 61.777 62.100 -0.011 0.000 1.549 1286 T CB 0.469 69.331 68.868 -0.009 0.000 0.757 1286 T HN 0.601 nan 8.240 nan 0.000 0.613 1287 K N 1.213 121.606 120.400 -0.012 0.000 2.095 1287 K HA 0.839 5.159 4.320 -0.000 0.000 0.252 1287 K C 0.709 177.303 176.600 -0.011 0.000 0.977 1287 K CA -0.807 55.474 56.287 -0.010 0.000 0.900 1287 K CB 1.258 33.752 32.500 -0.010 0.000 1.060 1287 K HN 0.422 nan 8.250 nan 0.000 0.449 1288 A N 1.437 124.252 122.820 -0.008 0.000 2.409 1288 A HA 0.060 4.380 4.320 -0.000 0.000 0.246 1288 A C 1.039 178.616 177.584 -0.013 0.000 1.099 1288 A CA 0.084 52.116 52.037 -0.008 0.000 0.789 1288 A CB -0.027 18.970 19.000 -0.004 0.000 1.053 1288 A HN 0.780 nan 8.150 nan 0.000 0.503 1289 L N -0.198 121.017 121.223 -0.014 0.000 2.307 1289 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 1289 L C 2.481 179.341 176.870 -0.017 0.000 1.099 1289 L CA 1.296 56.124 54.840 -0.021 0.000 0.816 1289 L CB -0.395 41.651 42.059 -0.021 0.000 0.952 1289 L HN 0.880 nan 8.230 nan 0.000 0.455 1290 T N -1.178 113.372 114.554 -0.007 0.000 2.857 1290 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 1290 T C 0.811 175.515 174.700 0.006 0.000 1.048 1290 T CA 0.318 62.419 62.100 0.001 0.000 1.139 1290 T CB -0.203 68.668 68.868 0.004 0.000 0.874 1290 T HN 0.268 nan 8.240 nan 0.000 0.455 1291 E N 2.437 122.639 120.200 0.004 0.000 2.905 1291 E HA 0.017 4.367 4.350 -0.000 0.000 0.240 1291 E C -0.009 176.601 176.600 0.017 0.000 0.990 1291 E CA -0.364 56.041 56.400 0.009 0.000 0.954 1291 E CB 0.218 29.920 29.700 0.004 0.000 0.908 1291 E HN 0.103 nan 8.360 nan 0.000 0.532 1292 V N 6.407 126.341 119.914 0.032 0.000 3.096 1292 V HA 0.207 4.327 4.120 -0.000 0.000 0.306 1292 V C 0.160 176.287 176.094 0.056 0.000 1.088 1292 V CA -0.158 62.176 62.300 0.056 0.000 1.129 1292 V CB 0.874 32.735 31.823 0.064 0.000 1.014 1292 V HN 0.606 nan 8.190 nan 0.000 0.486 1293 I N 2.286 122.908 120.570 0.087 0.000 3.074 1293 I HA 0.697 4.867 4.170 -0.000 0.000 0.310 1293 I C -2.600 173.583 176.117 0.111 0.000 1.153 1293 I CA -2.301 59.046 61.300 0.078 0.000 0.993 1293 I CB 0.152 38.185 38.000 0.055 0.000 1.237 1293 I HN 0.428 nan 8.210 nan 0.000 0.443 1294 P HA 0.461 nan 4.420 nan 0.000 0.309 1294 P C -0.500 176.867 177.300 0.113 0.000 1.423 1294 P CA 0.101 63.246 63.100 0.076 0.000 0.814 1294 P CB 0.339 32.068 31.700 0.049 0.000 1.900 1295 L N -4.360 116.914 121.223 0.085 0.000 2.963 1295 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 1295 L C -0.906 176.003 176.870 0.064 0.000 1.078 1295 L CA -0.724 54.175 54.840 0.098 0.000 0.970 1295 L CB 1.844 43.941 42.059 0.064 0.000 1.564 1295 L HN 0.132 nan 8.230 nan 0.000 0.381 1296 T N -1.240 113.351 114.554 0.061 0.000 2.868 1296 T HA 0.198 4.548 4.350 -0.000 0.000 0.306 1296 T C 0.239 174.959 174.700 0.033 0.000 1.224 1296 T CA -0.564 61.560 62.100 0.042 0.000 1.012 1296 T CB 2.226 71.119 68.868 0.042 0.000 1.221 1296 T HN 0.750 nan 8.240 nan 0.000 0.499 1297 E N 1.651 121.864 120.200 0.022 0.000 2.158 1297 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 1297 E C 1.471 178.082 176.600 0.018 0.000 0.982 1297 E CA 1.136 57.546 56.400 0.016 0.000 0.823 1297 E CB -0.077 29.630 29.700 0.011 0.000 0.766 1297 E HN 0.924 nan 8.360 nan 0.000 0.468 1298 E N 1.456 121.668 120.200 0.020 0.000 2.208 1298 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 1298 E C 2.010 178.626 176.600 0.027 0.000 0.988 1298 E CA 0.885 57.297 56.400 0.020 0.000 0.828 1298 E CB -0.147 29.564 29.700 0.017 0.000 0.763 1298 E HN 0.219 nan 8.360 nan 0.000 0.478 1299 A N 2.564 125.407 122.820 0.037 0.000 1.828 1299 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 1299 A C 2.131 179.748 177.584 0.054 0.000 1.203 1299 A CA 1.700 53.770 52.037 0.056 0.000 0.614 1299 A CB -0.553 18.496 19.000 0.081 0.000 0.844 1299 A HN 0.252 nan 8.150 nan 0.000 0.445 1300 E N -0.170 120.056 120.200 0.044 0.000 2.147 1300 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 1300 E C 1.894 178.509 176.600 0.025 0.000 1.005 1300 E CA 1.459 57.877 56.400 0.030 0.000 0.810 1300 E CB -0.812 28.895 29.700 0.011 0.000 0.736 1300 E HN 0.538 nan 8.360 nan 0.000 0.460 1301 L N 1.167 122.404 121.223 0.023 0.000 2.023 1301 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 1301 L C 2.385 179.269 176.870 0.022 0.000 1.073 1301 L CA 1.979 56.831 54.840 0.019 0.000 0.745 1301 L CB -0.468 41.600 42.059 0.015 0.000 0.900 1301 L HN 0.041 nan 8.230 nan 0.000 0.435 1302 E N -0.755 119.461 120.200 0.026 0.000 2.051 1302 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 1302 E C 2.155 178.773 176.600 0.031 0.000 0.991 1302 E CA 1.459 57.874 56.400 0.026 0.000 0.799 1302 E CB -0.134 29.582 29.700 0.026 0.000 0.748 1302 E HN 0.374 nan 8.360 nan 0.000 0.449 1303 L N 0.981 122.229 121.223 0.041 0.000 1.944 1303 L HA -0.262 4.078 4.340 -0.000 0.000 0.218 1303 L C 2.460 179.351 176.870 0.033 0.000 1.075 1303 L CA 2.311 57.179 54.840 0.047 0.000 0.767 1303 L CB -1.198 40.903 42.059 0.069 0.000 0.890 1303 L HN 0.230 nan 8.230 nan 0.000 0.434 1304 A N -0.947 121.891 122.820 0.029 0.000 1.881 1304 A HA -0.345 3.975 4.320 -0.000 0.000 0.219 1304 A C 2.198 179.796 177.584 0.023 0.000 1.215 1304 A CA 2.427 54.477 52.037 0.022 0.000 0.648 1304 A CB -0.947 18.063 19.000 0.016 0.000 0.832 1304 A HN 0.585 nan 8.150 nan 0.000 0.455 1305 E N -0.740 119.474 120.200 0.023 0.000 2.070 1305 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 1305 E C 2.082 178.700 176.600 0.030 0.000 1.004 1305 E CA 1.436 57.851 56.400 0.024 0.000 0.805 1305 E CB -0.327 29.386 29.700 0.021 0.000 0.744 1305 E HN 0.761 nan 8.360 nan 0.000 0.451 1306 N N 0.261 118.977 118.700 0.028 0.000 2.084 1306 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 1306 N C 2.027 177.553 175.510 0.026 0.000 1.030 1306 N CA 1.308 54.374 53.050 0.028 0.000 0.849 1306 N CB -0.063 38.436 38.487 0.020 0.000 1.012 1306 N HN 0.142 nan 8.380 nan 0.000 0.423 1307 R N 1.201 121.713 120.500 0.020 0.000 2.075 1307 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 1307 R C 1.971 178.292 176.300 0.034 0.000 1.126 1307 R CA 1.336 57.445 56.100 0.016 0.000 0.963 1307 R CB -0.548 29.759 30.300 0.012 0.000 0.858 1307 R HN 0.319 nan 8.270 nan 0.000 0.435 1308 E N 1.415 121.636 120.200 0.036 0.000 2.097 1308 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 1308 E C 1.958 178.595 176.600 0.062 0.000 1.000 1308 E CA 1.781 58.206 56.400 0.042 0.000 0.804 1308 E CB -0.089 29.631 29.700 0.034 0.000 0.740 1308 E HN 0.537 nan 8.360 nan 0.000 0.454 1309 I N 0.712 121.325 120.570 0.072 0.000 2.315 1309 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 1309 I C 2.278 178.515 176.117 0.199 0.000 1.117 1309 I CA 0.704 62.071 61.300 0.110 0.000 1.404 1309 I CB -0.151 37.913 38.000 0.106 0.000 1.071 1309 I HN 0.175 nan 8.210 nan 0.000 0.419 1310 L N 0.635 121.952 121.223 0.157 0.000 2.465 1310 L HA -0.121 4.219 4.340 -0.000 0.000 0.224 1310 L C 2.479 179.468 176.870 0.198 0.000 1.145 1310 L CA 0.777 55.714 54.840 0.162 0.000 0.834 1310 L CB -0.447 41.571 42.059 -0.069 0.000 0.944 1310 L HN 0.233 nan 8.230 nan 0.000 0.451 1311 K N 0.875 121.354 120.400 0.132 0.000 2.031 1311 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 1311 K C 0.446 177.111 176.600 0.109 0.000 1.049 1311 K CA 0.767 57.116 56.287 0.103 0.000 0.939 1311 K CB 0.281 32.821 32.500 0.067 0.000 0.717 1311 K HN 0.227 nan 8.250 nan 0.000 0.438 1312 E N 1.761 122.018 120.200 0.094 0.000 2.319 1312 E HA 0.167 4.517 4.350 -0.000 0.000 0.268 1312 E C -2.421 174.169 176.600 -0.015 0.000 1.050 1312 E CA -2.428 53.999 56.400 0.044 0.000 0.878 1312 E CB 0.977 30.695 29.700 0.030 0.000 1.066 1312 E HN 0.214 nan 8.360 nan 0.000 0.406 1313 P HA -0.100 nan 4.420 nan 0.000 0.266 1313 P C -0.268 176.834 177.300 -0.330 0.000 1.193 1313 P CA 0.018 63.001 63.100 -0.194 0.000 0.770 1313 P CB 0.413 32.036 31.700 -0.128 0.000 0.836 1314 V N 3.502 123.098 119.914 -0.531 0.000 2.814 1314 V HA -0.093 4.027 4.120 -0.000 0.000 0.307 1314 V C 1.251 177.197 176.094 -0.247 0.000 1.089 1314 V CA 0.537 62.530 62.300 -0.512 0.000 1.212 1314 V CB -0.667 30.880 31.823 -0.461 0.000 0.912 1314 V HN 0.659 nan 8.190 nan 0.000 0.497 1315 H N 2.930 121.872 119.070 -0.214 0.000 2.487 1315 H HA 0.432 4.988 4.556 -0.000 0.000 0.333 1315 H C 1.029 176.307 175.328 -0.084 0.000 1.114 1315 H CA 0.680 56.652 56.048 -0.127 0.000 1.310 1315 H CB 1.412 31.137 29.762 -0.061 0.000 1.462 1315 H HN 0.885 nan 8.280 nan 0.000 0.516 1316 G N 3.505 112.202 108.800 -0.172 0.000 2.175 1316 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 1316 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 1316 G C -0.017 174.908 174.900 0.042 0.000 0.982 1316 G CA 0.313 45.466 45.100 0.089 0.000 0.641 1316 G HN 0.747 nan 8.290 nan 0.000 0.527 1317 V N -1.576 118.201 119.914 -0.228 0.000 2.350 1317 V HA 0.840 4.960 4.120 -0.000 0.000 0.276 1317 V C -0.307 175.533 176.094 -0.424 0.000 1.028 1317 V CA -1.568 60.618 62.300 -0.190 0.000 0.860 1317 V CB 0.522 32.248 31.823 -0.162 0.000 0.990 1317 V HN 0.275 nan 8.190 nan 0.000 0.453 1318 Y N 3.133 123.427 120.300 -0.009 0.000 2.512 1318 Y HA 0.535 5.085 4.550 -0.000 0.000 0.348 1318 Y C -0.332 175.590 175.900 0.036 0.000 0.990 1318 Y CA -1.114 57.000 58.100 0.022 0.000 1.033 1318 Y CB 1.991 40.449 38.460 -0.004 0.000 1.259 1318 Y HN 0.747 nan 8.280 nan 0.000 0.461 1319 Y N 2.392 122.763 120.300 0.120 0.000 2.425 1319 Y HA 0.226 4.776 4.550 -0.000 0.000 0.331 1319 Y C -0.317 175.592 175.900 0.014 0.000 1.157 1319 Y CA -0.449 57.656 58.100 0.008 0.000 1.372 1319 Y CB 0.616 39.106 38.460 0.049 0.000 1.253 1319 Y HN 0.598 nan 8.280 nan 0.000 0.536 1320 D N 8.399 128.292 120.400 -0.844 0.000 2.462 1320 D HA 0.345 4.985 4.640 -0.000 0.000 0.249 1320 D C -2.163 173.596 176.300 -0.900 0.000 1.117 1320 D CA -2.602 51.013 54.000 -0.641 0.000 0.900 1320 D CB 1.489 42.095 40.800 -0.324 0.000 1.039 1320 D HN 0.300 nan 8.370 nan 0.000 0.516 1321 P HA -0.260 nan 4.420 nan 0.000 0.219 1321 P C 1.188 178.356 177.300 -0.220 0.000 1.149 1321 P CA 1.517 64.388 63.100 -0.382 0.000 0.835 1321 P CB 0.213 31.871 31.700 -0.069 0.000 0.778 1322 S N -1.983 113.584 115.700 -0.222 0.000 2.377 1322 S HA -0.031 4.439 4.470 -0.000 0.000 0.223 1322 S C 0.922 175.443 174.600 -0.132 0.000 1.030 1322 S CA 0.579 58.696 58.200 -0.138 0.000 0.970 1322 S CB -0.629 62.502 63.200 -0.115 0.000 0.830 1322 S HN 0.117 nan 8.310 nan 0.000 0.473 1323 K N 1.985 122.278 120.400 -0.179 0.000 2.126 1323 K HA 0.293 4.613 4.320 -0.000 0.000 0.257 1323 K C -0.515 176.005 176.600 -0.134 0.000 1.007 1323 K CA -0.576 55.627 56.287 -0.140 0.000 0.928 1323 K CB 0.289 32.706 32.500 -0.139 0.000 1.013 1323 K HN 0.256 nan 8.250 nan 0.000 0.473 1324 D N 1.084 121.425 120.400 -0.098 0.000 2.363 1324 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 1324 D C -0.042 176.166 176.300 -0.155 0.000 1.236 1324 D CA 0.171 54.112 54.000 -0.099 0.000 0.927 1324 D CB 0.694 41.443 40.800 -0.085 0.000 1.150 1324 D HN 0.183 nan 8.370 nan 0.000 0.458 1325 L N 1.055 122.162 121.223 -0.194 0.000 2.334 1325 L HA 0.500 4.840 4.340 -0.000 0.000 0.276 1325 L C -0.267 176.374 176.870 -0.383 0.000 1.014 1325 L CA -0.654 53.999 54.840 -0.313 0.000 0.815 1325 L CB 1.415 43.260 42.059 -0.357 0.000 1.268 1325 L HN 0.159 nan 8.230 nan 0.000 0.428 1326 I N 2.297 122.544 120.570 -0.538 0.000 2.533 1326 I HA 0.537 4.707 4.170 -0.000 0.000 0.290 1326 I C -0.470 175.177 176.117 -0.783 0.000 1.056 1326 I CA -0.574 60.324 61.300 -0.669 0.000 1.057 1326 I CB 2.179 39.738 38.000 -0.735 0.000 1.240 1326 I HN 0.577 nan 8.210 nan 0.000 0.423 1327 A N 5.391 127.793 122.820 -0.696 0.000 2.318 1327 A HA 0.649 4.969 4.320 -0.000 0.000 0.317 1327 A C -0.756 176.658 177.584 -0.284 0.000 1.159 1327 A CA -0.447 51.261 52.037 -0.548 0.000 0.799 1327 A CB 1.196 19.608 19.000 -0.980 0.000 1.194 1327 A HN 0.766 nan 8.150 nan 0.000 0.479 1328 E N 2.235 122.402 120.200 -0.056 0.000 2.199 1328 E HA 0.677 5.027 4.350 -0.000 0.000 0.269 1328 E C -1.441 175.265 176.600 0.177 0.000 0.899 1328 E CA -0.470 55.978 56.400 0.079 0.000 0.772 1328 E CB 1.341 31.136 29.700 0.158 0.000 1.155 1328 E HN 0.647 nan 8.360 nan 0.000 0.408 1329 I N 3.139 123.819 120.570 0.183 0.000 2.545 1329 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 1329 I C -0.926 175.316 176.117 0.209 0.000 1.040 1329 I CA -0.856 60.590 61.300 0.244 0.000 1.068 1329 I CB 2.047 40.198 38.000 0.253 0.000 1.251 1329 I HN 0.419 nan 8.210 nan 0.000 0.424 1330 Q N 4.489 124.403 119.800 0.190 0.000 2.337 1330 Q HA 0.369 4.709 4.340 -0.000 0.000 0.266 1330 Q C -0.674 175.350 176.000 0.040 0.000 1.023 1330 Q CA -0.831 55.024 55.803 0.086 0.000 0.829 1330 Q CB 2.398 31.122 28.738 -0.023 0.000 1.306 1330 Q HN 0.336 nan 8.270 nan 0.000 0.449 1331 K N 2.348 122.693 120.400 -0.091 0.000 2.292 1331 K HA 0.053 4.373 4.320 -0.000 0.000 0.290 1331 K C 0.177 176.466 176.600 -0.519 0.000 1.083 1331 K CA -0.064 55.881 56.287 -0.570 0.000 0.918 1331 K CB 0.587 32.792 32.500 -0.492 0.000 1.089 1331 K HN 0.559 nan 8.250 nan 0.000 0.473 1332 Q N 2.339 121.775 119.800 -0.607 0.000 2.245 1332 Q HA 0.055 4.395 4.340 -0.000 0.000 0.201 1332 Q C 0.577 176.324 176.000 -0.421 0.000 0.955 1332 Q CA 1.098 56.598 55.803 -0.504 0.000 0.870 1332 Q CB 0.222 28.606 28.738 -0.590 0.000 0.945 1332 Q HN 0.984 nan 8.270 nan 0.000 0.461 1333 G N 0.234 108.743 108.800 -0.485 0.000 2.674 1333 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 1333 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 1333 G C -0.848 173.887 174.900 -0.274 0.000 1.195 1333 G CA -0.313 44.592 45.100 -0.327 0.000 0.776 1333 G HN 0.177 nan 8.290 nan 0.000 0.654 1334 Q N -1.187 118.500 119.800 -0.189 0.000 2.478 1334 Q HA -0.088 4.252 4.340 -0.000 0.000 0.286 1334 Q C 1.550 177.473 176.000 -0.129 0.000 1.299 1334 Q CA 2.043 57.770 55.803 -0.128 0.000 0.826 1334 Q CB -1.495 27.180 28.738 -0.105 0.000 1.199 1334 Q HN 2.889 nan 8.270 nan 0.000 0.451 1335 G N -0.436 108.284 108.800 -0.133 0.000 2.187 1335 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 1335 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 1335 G C -0.016 174.835 174.900 -0.081 0.000 1.000 1335 G CA 0.684 45.775 45.100 -0.015 0.000 0.718 1335 G HN 0.357 nan 8.290 nan 0.000 0.519 1336 Q N -1.231 118.358 119.800 -0.352 0.000 2.241 1336 Q HA 0.603 4.943 4.340 -0.000 0.000 0.254 1336 Q C -0.675 174.955 176.000 -0.618 0.000 0.917 1336 Q CA -0.154 55.452 55.803 -0.329 0.000 0.919 1336 Q CB 1.328 29.865 28.738 -0.335 0.000 1.237 1336 Q HN 0.426 nan 8.270 nan 0.000 0.434 1337 W N 0.730 122.018 121.300 -0.021 0.000 3.097 1337 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 1337 W C -0.349 176.199 176.519 0.049 0.000 1.114 1337 W CA -0.571 56.803 57.345 0.047 0.000 1.231 1337 W CB 1.612 31.188 29.460 0.194 0.000 1.388 1337 W HN 0.437 nan 8.180 nan 0.000 0.485 1338 T N 0.073 114.722 114.554 0.157 0.000 2.885 1338 T HA 0.842 5.192 4.350 -0.000 0.000 0.285 1338 T C -1.113 173.695 174.700 0.180 0.000 1.019 1338 T CA -0.703 61.424 62.100 0.045 0.000 1.010 1338 T CB 1.783 70.552 68.868 -0.164 0.000 1.022 1338 T HN 0.465 nan 8.240 nan 0.000 0.466 1339 Y N -0.473 119.887 120.300 0.100 0.000 2.597 1339 Y HA 0.799 5.349 4.550 -0.000 0.000 0.340 1339 Y C -1.547 174.410 175.900 0.096 0.000 1.097 1339 Y CA -1.454 56.706 58.100 0.100 0.000 1.037 1339 Y CB 1.435 39.960 38.460 0.109 0.000 1.305 1339 Y HN 0.605 nan 8.280 nan 0.000 0.463 1340 Q N 2.290 122.224 119.800 0.223 0.000 2.359 1340 Q HA 0.666 5.006 4.340 -0.000 0.000 0.274 1340 Q C -1.475 174.649 176.000 0.206 0.000 1.074 1340 Q CA -0.589 55.326 55.803 0.186 0.000 0.810 1340 Q CB 3.247 32.109 28.738 0.207 0.000 1.342 1340 Q HN 0.767 nan 8.270 nan 0.000 0.427 1341 I N 3.331 124.004 120.570 0.171 0.000 2.404 1341 I HA 0.608 4.778 4.170 -0.000 0.000 0.293 1341 I C -1.126 174.983 176.117 -0.012 0.000 0.992 1341 I CA -1.012 60.270 61.300 -0.031 0.000 1.149 1341 I CB 0.830 38.864 38.000 0.058 0.000 1.315 1341 I HN 0.683 nan 8.210 nan 0.000 0.446 1342 Y N 3.068 123.281 120.300 -0.145 0.000 2.677 1342 Y HA 0.409 4.959 4.550 -0.000 0.000 0.334 1342 Y C -0.406 175.402 175.900 -0.152 0.000 1.196 1342 Y CA -0.949 57.071 58.100 -0.133 0.000 1.059 1342 Y CB 1.010 39.425 38.460 -0.076 0.000 1.315 1342 Y HN 0.449 nan 8.280 nan 0.000 0.455 1343 Q N -0.299 119.582 119.800 0.136 0.000 2.511 1343 Q HA 0.224 4.564 4.340 -0.000 0.000 0.236 1343 Q C -0.546 175.558 176.000 0.174 0.000 0.893 1343 Q CA 0.270 56.101 55.803 0.046 0.000 0.947 1343 Q CB 0.803 29.498 28.738 -0.072 0.000 1.110 1343 Q HN 0.571 nan 8.270 nan 0.000 0.591 1344 E N 1.788 122.094 120.200 0.177 0.000 2.114 1344 E HA 0.294 4.644 4.350 -0.000 0.000 0.266 1344 E C -2.558 174.082 176.600 0.066 0.000 0.896 1344 E CA -2.191 54.282 56.400 0.122 0.000 0.750 1344 E CB 1.490 31.228 29.700 0.063 0.000 1.121 1344 E HN -0.018 nan 8.360 nan 0.000 0.413 1345 P HA -0.169 nan 4.420 nan 0.000 0.261 1345 P C -0.290 177.017 177.300 0.010 0.000 1.140 1345 P CA 0.814 63.821 63.100 -0.155 0.000 0.757 1345 P CB -0.052 31.733 31.700 0.142 0.000 0.735 1346 F N 0.359 120.029 119.950 -0.468 0.000 2.973 1346 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 1346 F C 0.748 176.497 175.800 -0.086 0.000 0.737 1346 F CA 1.116 59.020 58.000 -0.160 0.000 1.151 1346 F CB -1.356 37.655 39.000 0.018 0.000 1.440 1346 F HN 0.301 nan 8.300 nan 0.000 0.367 1347 K N 1.563 121.939 120.400 -0.039 0.000 2.484 1347 K HA 0.309 4.629 4.320 -0.000 0.000 0.226 1347 K C -0.219 176.394 176.600 0.021 0.000 1.031 1347 K CA -0.293 56.000 56.287 0.011 0.000 1.026 1347 K CB 0.418 32.936 32.500 0.030 0.000 1.412 1347 K HN 0.033 nan 8.250 nan 0.000 0.492 1348 N N 2.977 121.685 118.700 0.014 0.000 2.470 1348 N HA 0.117 4.857 4.740 -0.000 0.000 0.268 1348 N C 1.193 176.729 175.510 0.043 0.000 1.136 1348 N CA -0.083 53.009 53.050 0.069 0.000 0.961 1348 N CB 1.353 39.885 38.487 0.075 0.000 1.067 1348 N HN 0.313 nan 8.380 nan 0.000 0.468 1349 L N 1.113 122.387 121.223 0.085 0.000 2.249 1349 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 1349 L C 0.943 177.924 176.870 0.185 0.000 1.090 1349 L CA 0.811 55.717 54.840 0.110 0.000 0.802 1349 L CB 0.116 42.218 42.059 0.071 0.000 0.947 1349 L HN 0.485 nan 8.230 nan 0.000 0.453 1350 K N -0.439 120.073 120.400 0.187 0.000 2.598 1350 K HA 0.314 4.634 4.320 -0.000 0.000 0.271 1350 K C -1.387 175.284 176.600 0.118 0.000 0.947 1350 K CA -0.388 56.006 56.287 0.179 0.000 0.854 1350 K CB 1.952 34.620 32.500 0.281 0.000 1.401 1350 K HN -0.055 nan 8.250 nan 0.000 0.415 1351 T N -0.725 113.837 114.554 0.013 0.000 2.906 1351 T HA 0.906 5.256 4.350 -0.000 0.000 0.295 1351 T C -0.056 174.413 174.700 -0.385 0.000 1.075 1351 T CA -0.475 61.526 62.100 -0.166 0.000 1.005 1351 T CB 2.059 70.904 68.868 -0.039 0.000 1.136 1351 T HN 0.741 nan 8.240 nan 0.000 0.498 1352 G N 0.218 108.489 108.800 -0.882 0.000 2.554 1352 G HA2 0.628 4.588 3.960 -0.000 0.000 0.306 1352 G HA3 0.628 4.588 3.960 -0.000 0.000 0.306 1352 G C -1.994 172.602 174.900 -0.508 0.000 1.320 1352 G CA -0.955 43.728 45.100 -0.696 0.000 0.800 1352 G HN 0.858 nan 8.290 nan 0.000 0.481 1353 K N -1.506 118.868 120.400 -0.043 0.000 2.433 1353 K HA 0.722 5.042 4.320 -0.000 0.000 0.252 1353 K C -2.193 174.633 176.600 0.376 0.000 1.015 1353 K CA -0.970 55.394 56.287 0.128 0.000 0.860 1353 K CB 2.602 35.127 32.500 0.040 0.000 1.359 1353 K HN 0.601 nan 8.250 nan 0.000 0.452 1354 Y N 0.326 120.763 120.300 0.228 0.000 2.442 1354 Y HA 0.596 5.146 4.550 -0.000 0.000 0.330 1354 Y C -1.824 174.219 175.900 0.240 0.000 1.100 1354 Y CA -0.302 57.931 58.100 0.222 0.000 1.034 1354 Y CB 1.830 40.419 38.460 0.215 0.000 1.285 1354 Y HN 0.764 nan 8.280 nan 0.000 0.440 1355 A N 4.722 127.215 122.820 -0.546 0.000 2.524 1355 A HA 0.964 5.284 4.320 -0.000 0.000 0.289 1355 A C -0.730 176.587 177.584 -0.445 0.000 1.248 1355 A CA -0.682 51.160 52.037 -0.325 0.000 0.712 1355 A CB 1.505 20.419 19.000 -0.143 0.000 1.312 1355 A HN 0.817 nan 8.150 nan 0.000 0.441 1363 N N 1.797 120.429 118.700 -0.113 0.000 2.456 1363 N HA 0.342 5.082 4.740 -0.000 0.000 0.296 1363 N C 0.191 175.669 175.510 -0.053 0.000 1.102 1363 N CA -0.150 52.828 53.050 -0.119 0.000 0.924 1363 N CB 1.248 39.594 38.487 -0.234 0.000 1.186 1363 N HN -0.120 nan 8.380 nan 0.000 0.492 1364 D N 1.713 122.137 120.400 0.040 0.000 2.117 1364 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 1364 D C 1.614 177.967 176.300 0.089 0.000 0.987 1364 D CA 1.076 55.197 54.000 0.202 0.000 0.829 1364 D CB 0.009 40.960 40.800 0.251 0.000 0.961 1364 D HN 0.365 nan 8.370 nan 0.000 0.460 1365 V N 1.217 121.140 119.914 0.015 0.000 2.343 1365 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 1365 V C 2.489 178.497 176.094 -0.142 0.000 1.051 1365 V CA 1.296 63.616 62.300 0.033 0.000 1.036 1365 V CB -0.410 31.464 31.823 0.085 0.000 0.654 1365 V HN 0.174 nan 8.190 nan 0.000 0.451 1366 K N -0.042 120.082 120.400 -0.460 0.000 2.063 1366 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 1366 K C 2.195 178.567 176.600 -0.379 0.000 1.048 1366 K CA 1.948 57.715 56.287 -0.867 0.000 0.928 1366 K CB -0.154 31.666 32.500 -1.134 0.000 0.713 1366 K HN 0.550 nan 8.250 nan 0.000 0.442 1367 Q N 0.163 119.820 119.800 -0.238 0.000 1.990 1367 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 1367 Q C 2.147 177.867 176.000 -0.467 0.000 0.980 1367 Q CA 1.330 57.021 55.803 -0.187 0.000 0.832 1367 Q CB -0.193 28.554 28.738 0.014 0.000 0.897 1367 Q HN 0.186 nan 8.270 nan 0.000 0.427 1368 L N 0.905 121.727 121.223 -0.668 0.000 2.043 1368 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 1368 L C 2.408 179.122 176.870 -0.261 0.000 1.075 1368 L CA 2.626 57.034 54.840 -0.719 0.000 0.752 1368 L CB -1.163 40.629 42.059 -0.446 0.000 0.891 1368 L HN 0.440 nan 8.230 nan 0.000 0.432 1369 T N -3.649 110.911 114.554 0.010 0.000 2.746 1369 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 1369 T C 1.687 176.334 174.700 -0.089 0.000 1.039 1369 T CA 1.419 63.642 62.100 0.204 0.000 1.142 1369 T CB -0.675 68.331 68.868 0.230 0.000 0.866 1369 T HN 0.554 nan 8.240 nan 0.000 0.444 1370 E N 1.721 121.780 120.200 -0.235 0.000 2.058 1370 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 1370 E C 2.720 178.922 176.600 -0.664 0.000 0.997 1370 E CA 1.101 57.284 56.400 -0.362 0.000 0.801 1370 E CB -0.464 29.103 29.700 -0.221 0.000 0.746 1370 E HN 0.692 nan 8.360 nan 0.000 0.450 1371 A N 1.123 123.391 122.820 -0.919 0.000 1.883 1371 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 1371 A C 2.559 179.816 177.584 -0.545 0.000 1.186 1371 A CA 1.510 52.953 52.037 -0.990 0.000 0.624 1371 A CB -0.859 17.696 19.000 -0.742 0.000 0.822 1371 A HN 0.131 nan 8.150 nan 0.000 0.444 1372 V N 0.016 119.680 119.914 -0.416 0.000 2.332 1372 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 1372 V C 2.668 178.632 176.094 -0.216 0.000 1.055 1372 V CA 2.387 64.431 62.300 -0.426 0.000 1.038 1372 V CB -0.980 30.578 31.823 -0.443 0.000 0.651 1372 V HN 0.663 nan 8.190 nan 0.000 0.450 1373 Q N -0.229 119.441 119.800 -0.217 0.000 2.079 1373 Q HA -0.242 4.098 4.340 -0.000 0.000 0.200 1373 Q C 2.361 178.377 176.000 0.027 0.000 0.974 1373 Q CA 1.777 57.532 55.803 -0.080 0.000 0.840 1373 Q CB -0.250 28.232 28.738 -0.427 0.000 0.898 1373 Q HN 0.635 nan 8.270 nan 0.000 0.430 1374 K N 1.263 121.572 120.400 -0.153 0.000 1.991 1374 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 1374 K C 2.002 178.520 176.600 -0.137 0.000 1.049 1374 K CA 1.495 57.713 56.287 -0.115 0.000 0.932 1374 K CB -0.208 32.153 32.500 -0.231 0.000 0.717 1374 K HN 0.113 nan 8.250 nan 0.000 0.441 1375 I N 1.109 121.532 120.570 -0.244 0.000 2.151 1375 I HA -0.309 3.860 4.170 -0.000 0.000 0.243 1375 I C 2.278 178.358 176.117 -0.062 0.000 1.080 1375 I CA 1.777 62.916 61.300 -0.267 0.000 1.339 1375 I CB -0.652 37.155 38.000 -0.322 0.000 1.039 1375 I HN 0.332 nan 8.210 nan 0.000 0.409 1376 T N -0.065 114.539 114.554 0.082 0.000 2.720 1376 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 1376 T C 1.916 176.524 174.700 -0.153 0.000 1.037 1376 T CA 2.062 64.145 62.100 -0.028 0.000 1.144 1376 T CB -0.460 68.293 68.868 -0.191 0.000 0.864 1376 T HN 0.385 nan 8.240 nan 0.000 0.444 1377 T N 2.276 116.848 114.554 0.031 0.000 2.622 1377 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 1377 T C 1.979 176.689 174.700 0.016 0.000 1.047 1377 T CA 1.390 63.577 62.100 0.145 0.000 1.159 1377 T CB -0.375 68.700 68.868 0.345 0.000 0.863 1377 T HN 0.557 nan 8.240 nan 0.000 0.422 1378 E N 0.926 121.051 120.200 -0.125 0.000 2.070 1378 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 1378 E C 2.493 178.938 176.600 -0.259 0.000 1.004 1378 E CA 1.328 57.501 56.400 -0.378 0.000 0.805 1378 E CB -0.329 28.905 29.700 -0.777 0.000 0.744 1378 E HN 0.325 nan 8.360 nan 0.000 0.451 1379 S N 0.746 116.335 115.700 -0.185 0.000 2.359 1379 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 1379 S C 2.041 176.538 174.600 -0.172 0.000 1.039 1379 S CA 1.094 59.252 58.200 -0.070 0.000 1.042 1379 S CB -0.244 62.988 63.200 0.054 0.000 0.915 1379 S HN 0.193 nan 8.310 nan 0.000 0.439 1380 I N 0.863 121.277 120.570 -0.261 0.000 2.264 1380 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 1380 I C 2.198 178.157 176.117 -0.264 0.000 1.111 1380 I CA 0.878 61.938 61.300 -0.399 0.000 1.382 1380 I CB -0.295 37.326 38.000 -0.631 0.000 1.060 1380 I HN 0.211 nan 8.210 nan 0.000 0.418 1381 V N 0.886 120.683 119.914 -0.196 0.000 2.427 1381 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 1381 V C 2.171 178.204 176.094 -0.102 0.000 1.051 1381 V CA 1.753 63.990 62.300 -0.105 0.000 1.048 1381 V CB -0.200 31.681 31.823 0.096 0.000 0.666 1381 V HN 0.327 nan 8.190 nan 0.000 0.456 1382 I N -1.841 118.524 120.570 -0.343 0.000 2.400 1382 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 1382 I C 2.039 177.575 176.117 -0.967 0.000 1.109 1382 I CA 1.325 62.187 61.300 -0.730 0.000 1.425 1382 I CB -0.147 37.031 38.000 -1.369 0.000 1.094 1382 I HN 0.387 nan 8.210 nan 0.000 0.425 1383 W N -0.200 120.826 121.300 -0.456 0.000 2.865 1383 W HA 0.375 5.035 4.660 -0.000 0.000 0.300 1383 W C 1.555 177.527 176.519 -0.910 0.000 1.096 1383 W CA 0.725 57.603 57.345 -0.777 0.000 1.524 1383 W CB -0.181 28.833 29.460 -0.743 0.000 0.991 1383 W HN 0.288 nan 8.180 nan 0.000 0.571 1384 G N 1.869 110.372 108.800 -0.493 0.000 2.176 1384 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 1384 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 1384 G C 0.174 175.041 174.900 -0.054 0.000 0.979 1384 G CA 0.722 45.715 45.100 -0.179 0.000 0.641 1384 G HN 0.348 nan 8.290 nan 0.000 0.530 1385 K N -0.597 119.741 120.400 -0.103 0.000 2.480 1385 K HA 0.786 5.106 4.320 -0.000 0.000 0.258 1385 K C -0.156 176.367 176.600 -0.128 0.000 0.990 1385 K CA -0.357 55.914 56.287 -0.026 0.000 0.857 1385 K CB 1.505 34.065 32.500 0.100 0.000 1.384 1385 K HN 0.432 nan 8.250 nan 0.000 0.446 1386 T N -0.992 113.501 114.554 -0.101 0.000 2.928 1386 T HA 0.548 4.898 4.350 -0.000 0.000 0.284 1386 T C -2.180 172.463 174.700 -0.095 0.000 1.008 1386 T CA -1.699 60.319 62.100 -0.136 0.000 1.057 1386 T CB 1.185 69.973 68.868 -0.133 0.000 1.018 1386 T HN 0.535 nan 8.240 nan 0.000 0.493 1387 P HA 0.374 nan 4.420 nan 0.000 0.280 1387 P C -1.068 176.027 177.300 -0.342 0.000 1.272 1387 P CA -0.850 62.047 63.100 -0.338 0.000 0.819 1387 P CB 1.081 32.451 31.700 -0.550 0.000 1.122 1388 K N 0.789 120.967 120.400 -0.370 0.000 2.159 1388 K HA 0.426 4.746 4.320 -0.000 0.000 0.266 1388 K C -1.074 175.315 176.600 -0.350 0.000 0.975 1388 K CA -0.538 55.626 56.287 -0.205 0.000 0.865 1388 K CB 0.372 32.785 32.500 -0.146 0.000 1.087 1388 K HN 0.229 nan 8.250 nan 0.000 0.446 1389 F N 2.556 122.449 119.950 -0.094 0.000 2.421 1389 F HA 0.349 4.876 4.527 -0.000 0.000 0.337 1389 F C 0.332 176.031 175.800 -0.168 0.000 1.105 1389 F CA -0.616 57.307 58.000 -0.128 0.000 1.049 1389 F CB 1.536 40.459 39.000 -0.128 0.000 1.139 1389 F HN 0.263 nan 8.300 nan 0.000 0.479 1390 K N 4.638 125.048 120.400 0.016 0.000 2.296 1390 K HA 0.417 4.737 4.320 -0.000 0.000 0.257 1390 K C -1.079 175.515 176.600 -0.010 0.000 1.088 1390 K CA -0.232 56.044 56.287 -0.018 0.000 0.980 1390 K CB 0.627 33.136 32.500 0.014 0.000 1.430 1390 K HN 0.511 nan 8.250 nan 0.000 0.441 1391 L N 5.161 126.310 121.223 -0.122 0.000 2.265 1391 L HA 0.266 4.606 4.340 -0.000 0.000 0.288 1391 L C -1.696 175.170 176.870 -0.007 0.000 1.058 1391 L CA -1.973 52.772 54.840 -0.159 0.000 0.809 1391 L CB 0.748 42.493 42.059 -0.524 0.000 1.179 1391 L HN 0.327 nan 8.230 nan 0.000 0.429 1392 P HA 0.181 nan 4.420 nan 0.000 0.230 1392 P C -0.504 176.870 177.300 0.124 0.000 1.791 1392 P CA 0.494 63.660 63.100 0.110 0.000 1.020 1392 P CB 0.542 32.331 31.700 0.149 0.000 1.977 1393 I N -0.853 119.785 120.570 0.114 0.000 3.298 1393 I HA 0.263 4.433 4.170 -0.000 0.000 0.315 1393 I C -1.514 174.628 176.117 0.043 0.000 1.293 1393 I CA -1.263 60.100 61.300 0.105 0.000 0.926 1393 I CB 2.801 40.882 38.000 0.136 0.000 1.321 1393 I HN -0.136 nan 8.210 nan 0.000 0.487 1394 Q N 3.360 123.159 119.800 -0.002 0.000 2.296 1394 Q HA 0.175 4.515 4.340 -0.000 0.000 0.257 1394 Q C 0.649 176.456 176.000 -0.321 0.000 0.942 1394 Q CA -0.195 55.551 55.803 -0.094 0.000 0.939 1394 Q CB 1.585 30.319 28.738 -0.006 0.000 1.198 1394 Q HN 0.639 nan 8.270 nan 0.000 0.429 1395 K N 3.359 123.336 120.400 -0.704 0.000 2.066 1395 K HA -0.328 3.992 4.320 -0.000 0.000 0.221 1395 K C 0.943 177.233 176.600 -0.516 0.000 1.056 1395 K CA 2.584 58.111 56.287 -1.267 0.000 0.950 1395 K CB 0.198 32.242 32.500 -0.761 0.000 0.726 1395 K HN 0.609 nan 8.250 nan 0.000 0.456 1396 E N -0.146 119.940 120.200 -0.190 0.000 2.085 1396 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 1396 E C 2.052 178.684 176.600 0.053 0.000 0.994 1396 E CA 2.038 58.441 56.400 0.006 0.000 0.801 1396 E CB -0.545 29.213 29.700 0.096 0.000 0.743 1396 E HN 0.422 nan 8.360 nan 0.000 0.453 1397 T N 0.540 115.141 114.554 0.078 0.000 2.746 1397 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 1397 T C 1.339 176.200 174.700 0.268 0.000 1.039 1397 T CA 1.215 63.451 62.100 0.227 0.000 1.142 1397 T CB -0.422 68.576 68.868 0.217 0.000 0.866 1397 T HN 0.399 nan 8.240 nan 0.000 0.444 1398 W N 2.313 123.575 121.300 -0.064 0.000 2.354 1398 W HA -0.147 4.513 4.660 -0.000 0.000 0.315 1398 W C 1.908 178.422 176.519 -0.008 0.000 1.206 1398 W CA 1.462 58.769 57.345 -0.064 0.000 1.290 1398 W CB -0.235 29.091 29.460 -0.223 0.000 1.152 1398 W HN 0.409 nan 8.180 nan 0.000 0.489 1399 E N -0.374 119.781 120.200 -0.075 0.000 2.118 1399 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 1399 E C 1.941 178.332 176.600 -0.348 0.000 0.992 1399 E CA 2.080 58.299 56.400 -0.301 0.000 0.804 1399 E CB -0.601 28.668 29.700 -0.719 0.000 0.741 1399 E HN 0.186 nan 8.360 nan 0.000 0.458 1400 T N -0.489 113.961 114.554 -0.172 0.000 2.915 1400 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 1400 T C 0.845 175.135 174.700 -0.684 0.000 1.071 1400 T CA 1.070 62.996 62.100 -0.290 0.000 1.132 1400 T CB -0.126 68.502 68.868 -0.399 0.000 0.878 1400 T HN 0.368 nan 8.240 nan 0.000 0.479 1401 W N -0.404 120.806 121.300 -0.150 0.000 2.773 1401 W HA 0.298 4.958 4.660 -0.000 0.000 0.297 1401 W C 1.928 178.226 176.519 -0.368 0.000 1.050 1401 W CA -1.363 55.855 57.345 -0.212 0.000 1.467 1401 W CB -0.157 29.283 29.460 -0.033 0.000 0.977 1401 W HN 0.231 nan 8.180 nan 0.000 0.573 1402 W N 1.600 122.551 121.300 -0.582 0.000 2.318 1402 W HA -0.225 4.435 4.660 -0.000 0.000 0.313 1402 W C 1.533 177.825 176.519 -0.378 0.000 1.221 1402 W CA 2.267 59.147 57.345 -0.775 0.000 1.266 1402 W CB -2.003 26.485 29.460 -1.620 0.000 1.150 1402 W HN -0.030 nan 8.180 nan 0.000 0.496 1403 T N -0.807 112.808 114.554 -1.566 0.000 3.320 1403 T HA -0.093 4.257 4.350 -0.000 0.000 0.258 1403 T C 1.140 175.496 174.700 -0.572 0.000 1.176 1403 T CA 1.510 62.799 62.100 -1.351 0.000 1.037 1403 T CB -0.390 67.525 68.868 -1.588 0.000 0.958 1403 T HN 0.242 nan 8.240 nan 0.000 0.545 1404 E N -0.485 119.440 120.200 -0.459 0.000 2.473 1404 E HA 0.212 4.562 4.350 -0.000 0.000 0.204 1404 E C 0.192 176.381 176.600 -0.685 0.000 0.994 1404 E CA 0.061 56.157 56.400 -0.506 0.000 0.945 1404 E CB 0.244 29.621 29.700 -0.539 0.000 0.990 1404 E HN 0.728 nan 8.360 nan 0.000 0.493 1405 Y N -2.004 118.295 120.300 -0.001 0.000 2.540 1405 Y HA 0.232 4.782 4.550 -0.000 0.000 0.257 1405 Y C 0.122 176.037 175.900 0.024 0.000 1.090 1405 Y CA -0.999 57.102 58.100 0.001 0.000 1.242 1405 Y CB -0.022 38.434 38.460 -0.006 0.000 1.325 1405 Y HN 0.044 nan 8.280 nan 0.000 0.544 1406 W N 3.528 124.812 121.300 -0.028 0.000 2.181 1406 W HA 0.130 4.790 4.660 -0.000 0.000 0.335 1406 W C 0.210 176.677 176.519 -0.086 0.000 1.310 1406 W CA 0.988 58.324 57.345 -0.016 0.000 1.226 1406 W CB 0.933 30.407 29.460 0.024 0.000 1.155 1406 W HN 0.255 nan 8.180 nan 0.000 0.565 1407 Q N 2.960 122.481 119.800 -0.465 0.000 2.126 1407 Q HA 0.176 4.516 4.340 -0.000 0.000 0.233 1407 Q C 0.545 176.267 176.000 -0.463 0.000 0.788 1407 Q CA -0.228 55.368 55.803 -0.344 0.000 0.968 1407 Q CB 1.240 29.776 28.738 -0.336 0.000 1.163 1407 Q HN 0.425 nan 8.270 nan 0.000 0.471 1408 A N 0.788 123.093 122.820 -0.857 0.000 2.310 1408 A HA 0.236 4.556 4.320 -0.000 0.000 0.260 1408 A C 1.187 178.551 177.584 -0.366 0.000 1.112 1408 A CA 0.497 51.988 52.037 -0.910 0.000 0.804 1408 A CB 0.258 18.106 19.000 -1.919 0.000 1.081 1408 A HN 0.250 nan 8.150 nan 0.000 0.499 1409 T N -2.713 111.548 114.554 -0.489 0.000 3.022 1409 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 1409 T C 0.411 175.187 174.700 0.127 0.000 1.060 1409 T CA 0.052 62.097 62.100 -0.091 0.000 1.013 1409 T CB -0.249 68.583 68.868 -0.060 0.000 0.982 1409 T HN 0.693 nan 8.240 nan 0.000 0.508 1410 W N 0.623 122.163 121.300 0.400 0.000 2.671 1410 W HA 0.773 5.433 4.660 -0.000 0.000 0.360 1410 W C -1.168 175.649 176.519 0.497 0.000 1.128 1410 W CA -1.810 55.763 57.345 0.381 0.000 1.184 1410 W CB 0.747 30.420 29.460 0.356 0.000 1.415 1410 W HN -0.112 nan 8.180 nan 0.000 0.604 1411 I N 3.045 124.042 120.570 0.712 0.000 2.478 1411 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 1411 I C -2.013 174.226 176.117 0.204 0.000 1.042 1411 I CA -2.195 59.333 61.300 0.380 0.000 1.067 1411 I CB 2.203 40.189 38.000 -0.023 0.000 1.233 1411 I HN -0.015 nan 8.210 nan 0.000 0.431 1412 P HA 0.237 nan 4.420 nan 0.000 0.277 1412 P C -0.824 176.401 177.300 -0.126 0.000 1.271 1412 P CA -0.428 62.770 63.100 0.163 0.000 0.795 1412 P CB 1.000 32.961 31.700 0.435 0.000 1.101 1413 E N 0.069 120.246 120.200 -0.038 0.000 2.331 1413 E HA 0.298 4.648 4.350 -0.000 0.000 0.272 1413 E C -0.657 175.941 176.600 -0.005 0.000 1.036 1413 E CA 0.199 56.490 56.400 -0.181 0.000 0.864 1413 E CB 0.465 30.112 29.700 -0.089 0.000 1.035 1413 E HN 0.465 nan 8.360 nan 0.000 0.408 1414 W N 1.007 122.199 121.300 -0.181 0.000 3.439 1414 W HA 0.416 5.076 4.660 -0.000 0.000 0.323 1414 W C -1.001 175.177 176.519 -0.567 0.000 1.174 1414 W CA -1.072 56.061 57.345 -0.353 0.000 1.224 1414 W CB -0.082 29.065 29.460 -0.522 0.000 1.348 1414 W HN 0.404 nan 8.180 nan 0.000 0.498 1415 E N 1.962 122.008 120.200 -0.257 0.000 2.238 1415 E HA 0.655 5.005 4.350 -0.000 0.000 0.267 1415 E C -1.611 174.685 176.600 -0.506 0.000 0.887 1415 E CA -1.033 55.158 56.400 -0.348 0.000 0.769 1415 E CB 1.840 31.474 29.700 -0.109 0.000 1.187 1415 E HN 0.262 nan 8.360 nan 0.000 0.416 1416 F N 2.378 122.326 119.950 -0.003 0.000 2.390 1416 F HA 0.288 4.815 4.527 -0.000 0.000 0.361 1416 F C 0.388 176.188 175.800 -0.001 0.000 1.124 1416 F CA -0.678 57.291 58.000 -0.053 0.000 1.149 1416 F CB 1.127 40.094 39.000 -0.055 0.000 1.160 1416 F HN 0.288 nan 8.300 nan 0.000 0.501 1417 V N 3.303 123.290 119.914 0.122 0.000 3.336 1417 V HA 0.429 4.549 4.120 -0.000 0.000 0.314 1417 V C -0.406 175.756 176.094 0.114 0.000 1.088 1417 V CA -0.711 61.653 62.300 0.107 0.000 1.033 1417 V CB 1.978 33.851 31.823 0.082 0.000 1.181 1417 V HN 0.755 nan 8.190 nan 0.000 0.449 1418 N N 1.351 120.112 118.700 0.102 0.000 2.682 1418 N HA 0.280 5.020 4.740 -0.000 0.000 0.252 1418 N C -0.741 174.823 175.510 0.089 0.000 1.081 1418 N CA -0.225 52.880 53.050 0.092 0.000 0.844 1418 N CB 1.052 39.591 38.487 0.087 0.000 1.167 1418 N HN 0.721 nan 8.380 nan 0.000 0.523 1419 T N 3.102 117.706 114.554 0.084 0.000 2.866 1419 T HA 0.079 4.429 4.350 -0.000 0.000 0.293 1419 T C -1.863 172.881 174.700 0.074 0.000 1.005 1419 T CA -0.086 62.060 62.100 0.076 0.000 1.162 1419 T CB 0.408 69.311 68.868 0.058 0.000 0.968 1419 T HN 0.338 nan 8.240 nan 0.000 0.530 1420 P HA 0.312 nan 4.420 nan 0.000 0.282 1420 P C -2.271 175.080 177.300 0.086 0.000 1.287 1420 P CA -1.689 61.476 63.100 0.108 0.000 0.792 1420 P CB -0.048 31.753 31.700 0.167 0.000 1.163 1421 P HA 0.129 nan 4.420 nan 0.000 0.261 1421 P C 0.481 177.811 177.300 0.050 0.000 1.650 1421 P CA 0.221 63.368 63.100 0.077 0.000 0.846 1421 P CB -0.420 31.339 31.700 0.099 0.000 1.758 1422 L N -0.348 120.867 121.223 -0.012 0.000 2.446 1422 L HA -0.024 4.316 4.340 -0.000 0.000 0.219 1422 L C 1.766 178.440 176.870 -0.327 0.000 1.116 1422 L CA 0.497 55.173 54.840 -0.273 0.000 0.844 1422 L CB -0.151 41.823 42.059 -0.142 0.000 0.970 1422 L HN -0.044 nan 8.230 nan 0.000 0.457 1423 V N -2.084 117.743 119.914 -0.144 0.000 2.828 1423 V HA -0.268 3.852 4.120 -0.000 0.000 0.260 1423 V C 2.376 178.489 176.094 0.032 0.000 1.101 1423 V CA 1.996 64.243 62.300 -0.089 0.000 1.123 1423 V CB -1.030 30.748 31.823 -0.075 0.000 0.704 1423 V HN 0.544 nan 8.190 nan 0.000 0.493 1424 K N 0.552 120.920 120.400 -0.052 0.000 2.032 1424 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 1424 K C 0.834 177.391 176.600 -0.072 0.000 1.048 1424 K CA 1.649 57.927 56.287 -0.016 0.000 0.927 1424 K CB -0.330 32.117 32.500 -0.089 0.000 0.712 1424 K HN 0.788 nan 8.250 nan 0.000 0.441 1425 L N -1.969 119.080 121.223 -0.289 0.000 2.379 1425 L HA 0.213 4.553 4.340 -0.000 0.000 0.269 1425 L C 0.848 177.731 176.870 0.021 0.000 1.084 1425 L CA -0.905 53.721 54.840 -0.357 0.000 0.802 1425 L CB 0.488 42.077 42.059 -0.785 0.000 1.175 1425 L HN 0.149 nan 8.230 nan 0.000 0.448 1426 W N -0.486 120.669 121.300 -0.241 0.000 2.467 1426 W HA -0.031 4.629 4.660 -0.000 0.000 0.275 1426 W C 0.832 177.258 176.519 -0.154 0.000 1.239 1426 W CA -0.567 56.684 57.345 -0.158 0.000 1.266 1426 W CB 0.059 29.485 29.460 -0.057 0.000 1.112 1426 W HN 0.601 nan 8.180 nan 0.000 0.576 1427 Y N 0.000 120.326 120.300 0.044 0.000 2.660 1427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1427 Y CA 0.000 58.070 58.100 -0.050 0.000 1.940 1427 Y CB 0.000 38.426 38.460 -0.057 0.000 1.050 1427 Y HN 0.000 nan 8.280 nan 0.000 0.758