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 3nw6_1_A DATA FIRST_RESID 956 DATA SEQUENCE VYVPDEWEVA REKITMSREL GQGSFGMVYE GVAKGVVKDE PETRVAIKTV DATA SEQUENCE NEAASMRERI EFLNEASVMK EFNCHHVVRL LGVVSQGQPT LVIMELMTRG DATA SEQUENCE DLKSYLRSLR PEMENNPVLA PPSLSKMIQM AGEIADGMAY LNANKFVHRD DATA SEQUENCE LAARNCMVAE DFTVKIGDFG MTRDIYETDY YRKGGKGLLP VRWMSPESLK DATA SEQUENCE DGVFTTYSDV WSFGVVLWEI ATLAEQPYQG LSNEQVLRFV MEGGLLDKPD DATA SEQUENCE NCPDMLFELM RMCWQYNPKM RPSFLEIISS IKEEMEPGFR EVSFYYSEEN DATA SEQUENCE K 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 956 V HA 0.000 nan 4.120 nan 0.000 0.244 956 V C 0.000 176.095 176.094 0.001 0.000 1.182 956 V CA 0.000 62.301 62.300 0.003 0.000 1.235 956 V CB 0.000 nan 31.823 nan 0.000 1.184 957 Y N -1.921 118.376 120.300 -0.004 0.000 3.140 957 Y HA 0.469 5.102 4.550 0.138 0.000 0.168 957 Y C 0.220 176.120 175.900 -0.001 0.000 2.152 957 Y CA 0.219 58.316 58.100 -0.006 0.000 1.314 957 Y CB -2.113 nan 38.460 nan 0.000 1.711 957 Y HN 2.546 nan 8.280 nan 0.000 0.392 958 V N 3.078 122.992 119.914 -0.000 0.000 2.348 958 V HA 0.760 4.963 4.120 0.138 0.000 0.270 958 V C -0.803 175.301 176.094 0.016 0.000 1.037 958 V CA -1.710 60.595 62.300 0.007 0.000 0.872 958 V CB 1.362 33.190 31.823 0.008 0.000 1.002 958 V HN 0.912 nan 8.190 nan 0.000 0.464 959 P HA 0.402 nan 4.420 nan 0.000 0.268 959 P C -1.112 176.210 177.300 0.037 0.000 1.205 959 P CA 0.223 63.341 63.100 0.030 0.000 0.771 959 P CB 1.468 33.182 31.700 0.023 0.000 0.858 960 D N 0.261 120.699 120.400 0.063 0.000 2.904 960 D HA 0.070 4.793 4.640 0.138 0.000 0.290 960 D C 0.936 177.253 176.300 0.028 0.000 1.180 960 D CA -0.483 53.554 54.000 0.062 0.000 1.065 960 D CB -0.045 40.827 40.800 0.120 0.000 1.386 960 D HN 0.316 nan 8.370 nan 0.000 0.599 961 E N -0.259 119.912 120.200 -0.049 0.000 2.409 961 E HA -0.135 4.298 4.350 0.138 0.000 0.198 961 E C 1.010 177.444 176.600 -0.277 0.000 1.024 961 E CA 0.634 56.921 56.400 -0.189 0.000 0.861 961 E CB -0.527 29.003 29.700 -0.284 0.000 0.788 961 E HN 0.597 nan 8.360 nan 0.000 0.521 962 W N 1.529 122.805 121.300 -0.040 0.000 2.770 962 W HA 0.131 4.875 4.660 0.141 0.000 0.256 962 W C 0.799 177.294 176.519 -0.039 0.000 1.291 962 W CA -0.266 57.051 57.345 -0.046 0.000 1.396 962 W CB 0.079 29.502 29.460 -0.062 0.000 1.114 962 W HN -0.041 nan 8.180 nan 0.000 0.637 963 E N 0.824 121.101 120.200 0.129 0.000 2.465 963 E HA 0.117 4.549 4.350 0.138 0.000 0.260 963 E C -0.591 176.036 176.600 0.045 0.000 0.980 963 E CA 0.327 56.773 56.400 0.075 0.000 0.927 963 E CB 0.480 30.206 29.700 0.043 0.000 0.934 963 E HN -0.229 nan 8.360 nan 0.000 0.459 964 V N 3.504 123.446 119.914 0.046 0.000 2.604 964 V HA 0.628 4.830 4.120 0.138 0.000 0.305 964 V C -0.032 176.074 176.094 0.020 0.000 1.043 964 V CA -0.830 61.488 62.300 0.030 0.000 0.888 964 V CB 1.767 33.614 31.823 0.041 0.000 0.995 964 V HN 0.865 nan 8.190 nan 0.000 0.429 965 A N 3.473 126.299 122.820 0.009 0.000 2.440 965 A HA 0.343 4.746 4.320 0.138 0.000 0.251 965 A C 1.348 178.935 177.584 0.005 0.000 1.089 965 A CA -0.032 52.008 52.037 0.005 0.000 0.779 965 A CB -0.015 18.984 19.000 -0.001 0.000 1.022 965 A HN 0.964 nan 8.150 nan 0.000 0.492 966 R N 0.917 121.419 120.500 0.003 0.000 2.105 966 R HA -0.208 4.215 4.340 0.138 0.000 0.239 966 R C 1.409 177.705 176.300 -0.006 0.000 1.135 966 R CA 2.243 58.343 56.100 -0.000 0.000 0.967 966 R CB -0.180 30.118 30.300 -0.003 0.000 0.861 966 R HN 0.931 nan 8.270 nan 0.000 0.442 967 E N 0.056 120.252 120.200 -0.007 0.000 2.409 967 E HA -0.141 4.291 4.350 0.138 0.000 0.198 967 E C 1.223 177.818 176.600 -0.008 0.000 1.024 967 E CA 1.028 57.423 56.400 -0.009 0.000 0.861 967 E CB -0.001 29.694 29.700 -0.009 0.000 0.788 967 E HN 0.315 nan 8.360 nan 0.000 0.521 968 K N 0.143 120.540 120.400 -0.004 0.000 2.400 968 K HA 0.104 4.507 4.320 0.138 0.000 0.194 968 K C -0.036 176.563 176.600 -0.001 0.000 1.033 968 K CA 0.113 56.399 56.287 -0.002 0.000 1.021 968 K CB 0.403 32.904 32.500 0.001 0.000 0.808 968 K HN 0.127 nan 8.250 nan 0.000 0.505 969 I N 1.108 121.676 120.570 -0.004 0.000 2.412 969 I HA 0.176 4.429 4.170 0.138 0.000 0.296 969 I C -0.166 175.941 176.117 -0.018 0.000 0.987 969 I CA -0.271 61.026 61.300 -0.005 0.000 1.180 969 I CB 1.697 39.696 38.000 -0.001 0.000 1.340 969 I HN -0.212 nan 8.210 nan 0.000 0.455 970 T N 6.876 121.419 114.554 -0.019 0.000 2.906 970 T HA 0.507 4.940 4.350 0.138 0.000 0.302 970 T C -0.021 174.657 174.700 -0.037 0.000 1.002 970 T CA -0.475 61.607 62.100 -0.031 0.000 0.988 970 T CB 1.070 69.926 68.868 -0.020 0.000 0.972 970 T HN 0.344 nan 8.240 nan 0.000 0.447 971 M N 2.437 121.987 119.600 -0.083 0.000 2.233 971 M HA 0.467 5.030 4.480 0.138 0.000 0.355 971 M C 0.900 177.142 176.300 -0.097 0.000 1.191 971 M CA -0.234 54.991 55.300 -0.125 0.000 1.101 971 M CB 1.634 34.027 32.600 -0.346 0.000 1.592 971 M HN 0.671 nan 8.290 nan 0.000 0.461 972 S N 2.300 118.001 115.700 0.001 0.000 3.385 972 S HA 0.402 4.955 4.470 0.138 0.000 0.176 972 S C -0.220 174.468 174.600 0.147 0.000 0.851 972 S CA -0.595 57.630 58.200 0.043 0.000 1.039 972 S CB 0.552 63.774 63.200 0.038 0.000 1.241 972 S HN 0.750 nan 8.310 nan 0.000 0.859 973 R N 1.709 122.296 120.500 0.146 0.000 2.490 973 R HA 0.457 4.879 4.340 0.138 0.000 0.278 973 R C -0.707 175.702 176.300 0.181 0.000 1.069 973 R CA -0.323 55.868 56.100 0.151 0.000 1.080 973 R CB 0.303 30.648 30.300 0.075 0.000 1.030 973 R HN 0.432 nan 8.270 nan 0.000 0.491 974 E N 1.541 121.785 120.200 0.074 0.000 2.373 974 E HA 0.024 4.457 4.350 0.138 0.000 0.267 974 E C 0.474 177.012 176.600 -0.103 0.000 1.032 974 E CA -0.089 56.209 56.400 -0.170 0.000 0.889 974 E CB 0.994 30.572 29.700 -0.203 0.000 0.984 974 E HN 0.533 nan 8.360 nan 0.000 0.425 975 L N 1.503 122.640 121.223 -0.144 0.000 2.425 975 L HA 0.307 4.730 4.340 0.138 0.000 0.215 975 L C 0.890 177.709 176.870 -0.085 0.000 1.065 975 L CA 0.375 55.172 54.840 -0.072 0.000 0.842 975 L CB 0.413 42.448 42.059 -0.039 0.000 1.033 975 L HN 0.755 nan 8.230 nan 0.000 0.474 976 G N -0.176 108.539 108.800 -0.142 0.000 2.347 976 G HA2 0.002 4.045 3.960 0.138 0.000 0.321 976 G HA3 0.002 4.045 3.960 0.138 0.000 0.321 976 G C -1.627 173.199 174.900 -0.122 0.000 1.412 976 G CA -0.818 44.211 45.100 -0.118 0.000 0.990 976 G HN -0.079 nan 8.290 nan 0.000 0.637 977 Q N -0.184 119.556 119.800 -0.099 0.000 2.352 977 Q HA 0.593 5.016 4.340 0.138 0.000 0.260 977 Q C 0.759 176.734 176.000 -0.042 0.000 0.976 977 Q CA 0.983 56.739 55.803 -0.078 0.000 0.881 977 Q CB 0.970 29.666 28.738 -0.071 0.000 1.235 977 Q HN 1.266 nan 8.270 nan 0.000 0.419 978 G N 0.854 109.645 108.800 -0.016 0.000 2.887 978 G HA2 0.347 4.390 3.960 0.138 0.000 0.277 978 G HA3 0.347 4.390 3.960 0.138 0.000 0.277 978 G C 0.243 175.139 174.900 -0.008 0.000 1.346 978 G CA -0.152 44.963 45.100 0.025 0.000 1.058 978 G HN 0.752 nan 8.290 nan 0.000 0.535 979 S N -0.588 115.104 115.700 -0.014 0.000 2.348 979 S HA -0.114 4.439 4.470 0.138 0.000 0.221 979 S C 1.853 176.288 174.600 -0.275 0.000 1.033 979 S CA 1.351 59.440 58.200 -0.186 0.000 1.010 979 S CB -0.430 62.596 63.200 -0.289 0.000 0.891 979 S HN 0.381 nan 8.310 nan 0.000 0.442 980 F N 2.196 122.149 119.950 0.005 0.000 2.664 980 F HA 0.421 5.037 4.527 0.149 0.000 0.296 980 F C 1.616 177.331 175.800 -0.142 0.000 1.125 980 F CA 0.428 58.383 58.000 -0.076 0.000 1.444 980 F CB 0.081 39.008 39.000 -0.121 0.000 1.114 980 F HN 0.516 nan 8.300 nan 0.000 0.576 981 G N -0.614 108.214 108.800 0.048 0.000 2.333 981 G HA2 0.270 4.313 3.960 0.138 0.000 0.288 981 G HA3 0.270 4.313 3.960 0.138 0.000 0.288 981 G C -1.622 173.270 174.900 -0.013 0.000 1.286 981 G CA -1.119 43.977 45.100 -0.006 0.000 0.865 981 G HN -0.185 nan 8.290 nan 0.000 0.506 982 M N 0.874 120.454 119.600 -0.035 0.000 2.239 982 M HA 0.548 5.111 4.480 0.138 0.000 0.348 982 M C -0.056 176.153 176.300 -0.153 0.000 1.239 982 M CA -0.348 54.860 55.300 -0.153 0.000 1.114 982 M CB 0.784 33.247 32.600 -0.229 0.000 1.641 982 M HN 0.429 nan 8.290 nan 0.000 0.453 983 V N 7.081 126.858 119.914 -0.229 0.000 2.472 983 V HA 0.456 4.659 4.120 0.138 0.000 0.290 983 V C -0.840 175.094 176.094 -0.266 0.000 1.037 983 V CA -0.540 61.700 62.300 -0.099 0.000 0.908 983 V CB 1.090 32.904 31.823 -0.014 0.000 0.985 983 V HN 0.779 nan 8.190 nan 0.000 0.454 984 Y N 1.188 121.503 120.300 0.025 0.000 2.598 984 Y HA 0.527 5.162 4.550 0.141 0.000 0.340 984 Y C 0.285 176.194 175.900 0.016 0.000 1.038 984 Y CA -0.864 57.246 58.100 0.017 0.000 1.100 984 Y CB 1.553 40.021 38.460 0.013 0.000 1.281 984 Y HN 0.590 nan 8.280 nan 0.000 0.488 985 E N 0.233 120.544 120.200 0.186 0.000 2.248 985 E HA 0.672 5.105 4.350 0.138 0.000 0.272 985 E C -0.406 176.256 176.600 0.104 0.000 1.008 985 E CA -0.338 56.125 56.400 0.105 0.000 0.856 985 E CB 1.481 31.223 29.700 0.071 0.000 1.120 985 E HN 0.880 nan 8.360 nan 0.000 0.397 986 G N 0.455 109.292 108.800 0.061 0.000 2.428 986 G HA2 0.419 4.462 3.960 0.138 0.000 0.305 986 G HA3 0.419 4.462 3.960 0.138 0.000 0.305 986 G C -1.261 173.653 174.900 0.024 0.000 1.260 986 G CA -0.093 45.030 45.100 0.038 0.000 0.853 986 G HN 0.729 nan 8.290 nan 0.000 0.480 987 V N -3.248 116.674 119.914 0.014 0.000 3.007 987 V HA 1.004 5.207 4.120 0.138 0.000 0.311 987 V C -0.191 175.908 176.094 0.008 0.000 1.120 987 V CA -0.381 61.925 62.300 0.010 0.000 0.980 987 V CB 1.218 33.045 31.823 0.006 0.000 1.033 987 V HN 2.420 nan 8.190 nan 0.000 0.429 988 A N 2.605 125.431 122.820 0.009 0.000 2.515 988 A HA 0.849 5.252 4.320 0.138 0.000 0.298 988 A C -0.843 176.745 177.584 0.007 0.000 1.059 988 A CA -0.861 51.182 52.037 0.010 0.000 0.698 988 A CB 2.094 21.104 19.000 0.018 0.000 1.289 988 A HN 1.069 nan 8.150 nan 0.000 0.404 989 K N 0.903 121.305 120.400 0.004 0.000 2.182 989 K HA 0.517 4.920 4.320 0.138 0.000 0.262 989 K C 0.760 177.360 176.600 -0.001 0.000 0.957 989 K CA 0.404 56.691 56.287 0.000 0.000 0.842 989 K CB 1.056 33.554 32.500 -0.003 0.000 1.099 989 K HN 1.980 nan 8.250 nan 0.000 0.438 990 G N 2.582 111.380 108.800 -0.004 0.000 2.305 990 G HA2 -0.241 3.801 3.960 0.138 0.000 0.287 990 G HA3 -0.241 3.801 3.960 0.138 0.000 0.287 990 G C 0.370 175.266 174.900 -0.008 0.000 1.036 990 G CA 0.643 45.737 45.100 -0.010 0.000 0.887 990 G HN 0.650 nan 8.290 nan 0.000 0.505 991 V N -4.225 115.691 119.914 0.005 0.000 3.263 991 V HA 0.482 4.685 4.120 0.138 0.000 0.248 991 V C 1.070 177.176 176.094 0.020 0.000 1.145 991 V CA 0.867 63.179 62.300 0.020 0.000 1.107 991 V CB 0.766 32.614 31.823 0.041 0.000 0.797 991 V HN 0.462 nan 8.190 nan 0.000 0.467 992 V N 3.449 123.369 119.914 0.010 0.000 2.239 992 V HA 0.507 4.710 4.120 0.138 0.000 0.267 992 V C 0.579 176.670 176.094 -0.005 0.000 1.056 992 V CA -0.783 61.521 62.300 0.008 0.000 0.830 992 V CB 0.022 31.852 31.823 0.011 0.000 1.090 992 V HN 0.573 nan 8.190 nan 0.000 0.459 993 K N 3.363 123.753 120.400 -0.017 0.000 1.779 993 K HA -0.249 4.154 4.320 0.138 0.000 0.128 993 K C 0.785 177.371 176.600 -0.024 0.000 1.288 993 K CA 1.988 58.260 56.287 -0.026 0.000 0.398 993 K CB -1.049 31.439 32.500 -0.020 0.000 0.609 993 K HN 0.903 nan 8.250 nan 0.000 0.874 994 D N 1.936 122.325 120.400 -0.019 0.000 2.427 994 D HA 0.079 4.802 4.640 0.138 0.000 0.224 994 D C -0.201 176.092 176.300 -0.011 0.000 1.157 994 D CA -0.033 53.957 54.000 -0.017 0.000 0.828 994 D CB -0.321 40.468 40.800 -0.017 0.000 0.974 994 D HN 0.359 nan 8.370 nan 0.000 0.498 995 E N 1.925 122.120 120.200 -0.008 0.000 2.415 995 E HA 0.004 4.437 4.350 0.138 0.000 0.260 995 E C -1.365 175.233 176.600 -0.004 0.000 1.016 995 E CA -1.070 55.328 56.400 -0.004 0.000 0.924 995 E CB 1.177 30.876 29.700 -0.001 0.000 0.961 995 E HN 0.165 nan 8.360 nan 0.000 0.459 996 P HA -0.103 nan 4.420 nan 0.000 0.225 996 P C -0.112 177.187 177.300 -0.001 0.000 1.156 996 P CA 1.073 64.171 63.100 -0.003 0.000 0.787 996 P CB 0.463 32.160 31.700 -0.004 0.000 0.802 997 E N -0.417 119.783 120.200 -0.000 0.000 2.361 997 E HA 0.285 4.718 4.350 0.138 0.000 0.270 997 E C -1.227 175.375 176.600 0.003 0.000 0.911 997 E CA -0.286 56.115 56.400 0.002 0.000 0.818 997 E CB 1.107 30.807 29.700 0.001 0.000 1.332 997 E HN -0.203 nan 8.360 nan 0.000 0.402 998 T N 3.580 118.137 114.554 0.005 0.000 2.812 998 T HA 0.405 4.838 4.350 0.138 0.000 0.282 998 T C -0.150 174.554 174.700 0.008 0.000 0.990 998 T CA -0.751 61.353 62.100 0.006 0.000 0.960 998 T CB 1.138 70.011 68.868 0.008 0.000 0.948 998 T HN 0.303 nan 8.240 nan 0.000 0.438 999 R N 2.105 122.609 120.500 0.005 0.000 2.370 999 R HA 0.456 4.879 4.340 0.138 0.000 0.309 999 R C 0.223 176.528 176.300 0.008 0.000 1.059 999 R CA -0.314 55.790 56.100 0.007 0.000 0.981 999 R CB 0.249 30.550 30.300 0.002 0.000 0.972 999 R HN 0.537 nan 8.270 nan 0.000 0.437 1000 V N -0.703 119.221 119.914 0.016 0.000 3.126 1000 V HA 0.906 5.109 4.120 0.138 0.000 0.314 1000 V C -0.425 175.688 176.094 0.032 0.000 1.138 1000 V CA -1.295 61.017 62.300 0.021 0.000 1.034 1000 V CB 2.000 33.839 31.823 0.026 0.000 1.075 1000 V HN 0.739 nan 8.190 nan 0.000 0.442 1001 A N 2.243 125.084 122.820 0.034 0.000 2.324 1001 A HA 0.891 5.294 4.320 0.138 0.000 0.330 1001 A C -0.644 176.984 177.584 0.073 0.000 1.165 1001 A CA -0.678 51.390 52.037 0.052 0.000 0.813 1001 A CB 0.824 19.845 19.000 0.034 0.000 1.197 1001 A HN 0.835 nan 8.150 nan 0.000 0.484 1002 I N 1.791 122.432 120.570 0.119 0.000 2.410 1002 I HA 0.330 4.583 4.170 0.138 0.000 0.286 1002 I C -0.197 176.038 176.117 0.196 0.000 1.009 1002 I CA -0.472 60.916 61.300 0.146 0.000 1.111 1002 I CB 1.201 39.286 38.000 0.142 0.000 1.262 1002 I HN 0.660 nan 8.210 nan 0.000 0.443 1003 K N 4.322 124.844 120.400 0.203 0.000 2.234 1003 K HA 0.519 4.922 4.320 0.138 0.000 0.282 1003 K C 0.296 177.059 176.600 0.271 0.000 1.039 1003 K CA -0.183 56.267 56.287 0.272 0.000 0.928 1003 K CB 1.392 34.115 32.500 0.373 0.000 1.039 1003 K HN 0.795 nan 8.250 nan 0.000 0.470 1004 T N -1.748 112.866 114.554 0.101 0.000 2.916 1004 T HA 0.518 4.951 4.350 0.138 0.000 0.292 1004 T C -0.447 174.028 174.700 -0.375 0.000 1.064 1004 T CA -0.917 61.137 62.100 -0.077 0.000 1.011 1004 T CB 1.320 70.239 68.868 0.083 0.000 1.152 1004 T HN 0.119 nan 8.240 nan 0.000 0.510 1005 V N 2.953 122.604 119.914 -0.437 0.000 2.427 1005 V HA 0.376 4.578 4.120 0.138 0.000 0.286 1005 V C 0.469 176.483 176.094 -0.134 0.000 1.034 1005 V CA -1.178 60.894 62.300 -0.381 0.000 0.893 1005 V CB 0.799 32.360 31.823 -0.435 0.000 0.982 1005 V HN 1.117 nan 8.190 nan 0.000 0.452 1006 N N 2.247 120.909 118.700 -0.063 0.000 2.395 1006 N HA -0.011 4.812 4.740 0.138 0.000 0.246 1006 N C 0.921 176.417 175.510 -0.023 0.000 1.246 1006 N CA 0.172 53.207 53.050 -0.024 0.000 0.879 1006 N CB 0.489 38.968 38.487 -0.012 0.000 1.098 1006 N HN 0.856 nan 8.380 nan 0.000 0.444 1007 E N 1.338 121.531 120.200 -0.012 0.000 2.204 1007 E HA -0.222 4.211 4.350 0.138 0.000 0.195 1007 E C 1.543 178.138 176.600 -0.008 0.000 0.990 1007 E CA 1.369 57.762 56.400 -0.011 0.000 0.821 1007 E CB -0.338 29.358 29.700 -0.006 0.000 0.750 1007 E HN 0.703 nan 8.360 nan 0.000 0.477 1008 A N 1.145 123.962 122.820 -0.005 0.000 2.067 1008 A HA 0.367 4.770 4.320 0.138 0.000 0.217 1008 A C 1.533 179.118 177.584 0.003 0.000 1.156 1008 A CA 0.461 52.497 52.037 -0.002 0.000 0.683 1008 A CB -0.623 18.375 19.000 -0.002 0.000 0.808 1008 A HN 0.447 nan 8.150 nan 0.000 0.455 1009 A N 0.829 123.652 122.820 0.005 0.000 2.586 1009 A HA 0.402 4.805 4.320 0.138 0.000 0.231 1009 A C 1.005 178.601 177.584 0.019 0.000 1.055 1009 A CA 0.488 52.536 52.037 0.019 0.000 0.756 1009 A CB -0.218 18.799 19.000 0.029 0.000 0.988 1009 A HN 1.149 nan 8.150 nan 0.000 0.509 1010 S N 2.929 118.648 115.700 0.032 0.000 2.669 1010 S HA 0.365 4.918 4.470 0.138 0.000 0.270 1010 S C 1.434 176.053 174.600 0.031 0.000 1.225 1010 S CA 0.034 58.251 58.200 0.028 0.000 0.991 1010 S CB 0.531 63.749 63.200 0.030 0.000 0.987 1010 S HN 1.062 nan 8.310 nan 0.000 0.552 1011 M N 0.447 120.062 119.600 0.024 0.000 2.108 1011 M HA -0.058 4.505 4.480 0.138 0.000 0.261 1011 M C 1.898 178.217 176.300 0.032 0.000 1.066 1011 M CA 1.705 57.019 55.300 0.023 0.000 1.107 1011 M CB -1.966 30.644 32.600 0.017 0.000 1.356 1011 M HN 0.823 nan 8.290 nan 0.000 0.406 1012 R N 0.799 121.323 120.500 0.040 0.000 2.091 1012 R HA -0.137 4.286 4.340 0.138 0.000 0.238 1012 R C 2.054 178.402 176.300 0.081 0.000 1.136 1012 R CA 2.207 58.337 56.100 0.051 0.000 0.959 1012 R CB -0.268 30.062 30.300 0.050 0.000 0.856 1012 R HN 0.665 nan 8.270 nan 0.000 0.437 1013 E N -0.509 119.753 120.200 0.104 0.000 2.106 1013 E HA -0.171 4.262 4.350 0.138 0.000 0.192 1013 E C 2.245 178.914 176.600 0.116 0.000 0.984 1013 E CA 1.027 57.541 56.400 0.190 0.000 0.806 1013 E CB 0.014 29.829 29.700 0.191 0.000 0.750 1013 E HN 0.308 nan 8.360 nan 0.000 0.458 1014 R N 0.352 120.877 120.500 0.041 0.000 2.066 1014 R HA -0.047 4.376 4.340 0.138 0.000 0.232 1014 R C 2.394 178.709 176.300 0.025 0.000 1.131 1014 R CA 1.016 57.117 56.100 0.002 0.000 0.955 1014 R CB -0.219 30.084 30.300 0.004 0.000 0.851 1014 R HN 0.160 nan 8.270 nan 0.000 0.432 1015 I N 0.687 121.269 120.570 0.020 0.000 2.286 1015 I HA -0.254 3.999 4.170 0.138 0.000 0.248 1015 I C 2.569 178.677 176.117 -0.016 0.000 1.115 1015 I CA 1.224 62.528 61.300 0.006 0.000 1.392 1015 I CB -0.254 37.754 38.000 0.013 0.000 1.065 1015 I HN 0.286 nan 8.210 nan 0.000 0.418 1016 E N 1.079 121.283 120.200 0.007 0.000 2.058 1016 E HA -0.293 4.139 4.350 0.138 0.000 0.194 1016 E C 2.215 178.732 176.600 -0.139 0.000 0.997 1016 E CA 1.571 57.984 56.400 0.022 0.000 0.801 1016 E CB -0.174 29.636 29.700 0.183 0.000 0.746 1016 E HN 0.433 nan 8.360 nan 0.000 0.450 1017 F N 0.844 120.408 119.950 -0.644 0.000 2.134 1017 F HA -0.210 4.398 4.527 0.135 0.000 0.299 1017 F C 1.828 177.364 175.800 -0.440 0.000 1.097 1017 F CA 0.978 58.372 58.000 -1.010 0.000 1.264 1017 F CB -0.175 38.086 39.000 -1.231 0.000 1.001 1017 F HN 0.080 nan 8.300 nan 0.000 0.479 1018 L N 0.961 122.009 121.223 -0.291 0.000 2.046 1018 L HA -0.206 4.217 4.340 0.138 0.000 0.208 1018 L C 2.167 178.876 176.870 -0.267 0.000 1.077 1018 L CA 1.522 56.181 54.840 -0.301 0.000 0.747 1018 L CB -1.667 40.327 42.059 -0.108 0.000 0.896 1018 L HN 0.230 nan 8.230 nan 0.000 0.432 1019 N N -0.814 117.781 118.700 -0.175 0.000 2.300 1019 N HA -0.156 4.667 4.740 0.138 0.000 0.179 1019 N C 1.774 177.208 175.510 -0.126 0.000 1.016 1019 N CA 0.672 53.648 53.050 -0.123 0.000 0.876 1019 N CB 0.038 38.489 38.487 -0.059 0.000 0.979 1019 N HN 0.456 nan 8.380 nan 0.000 0.432 1020 E N 1.344 121.463 120.200 -0.136 0.000 2.028 1020 E HA -0.102 4.331 4.350 0.138 0.000 0.191 1020 E C 1.757 178.264 176.600 -0.155 0.000 0.988 1020 E CA 1.031 57.384 56.400 -0.079 0.000 0.799 1020 E CB -0.001 29.699 29.700 0.001 0.000 0.755 1020 E HN 0.214 nan 8.360 nan 0.000 0.447 1021 A N 0.814 123.440 122.820 -0.323 0.000 1.917 1021 A HA -0.179 4.224 4.320 0.138 0.000 0.219 1021 A C 2.394 179.762 177.584 -0.360 0.000 1.182 1021 A CA 1.967 53.769 52.037 -0.392 0.000 0.633 1021 A CB -0.691 17.924 19.000 -0.641 0.000 0.819 1021 A HN 0.308 nan 8.150 nan 0.000 0.448 1022 S N -0.431 115.069 115.700 -0.335 0.000 2.440 1022 S HA -0.119 4.434 4.470 0.138 0.000 0.238 1022 S C 1.716 176.111 174.600 -0.343 0.000 1.010 1022 S CA 1.214 59.208 58.200 -0.344 0.000 0.972 1022 S CB -0.444 62.607 63.200 -0.248 0.000 0.774 1022 S HN 0.388 nan 8.310 nan 0.000 0.501 1023 V N 1.832 121.593 119.914 -0.255 0.000 2.490 1023 V HA -0.166 4.037 4.120 0.138 0.000 0.250 1023 V C 2.175 177.962 176.094 -0.512 0.000 1.061 1023 V CA 1.256 63.414 62.300 -0.237 0.000 1.064 1023 V CB -0.584 31.241 31.823 0.003 0.000 0.670 1023 V HN 0.512 nan 8.190 nan 0.000 0.461 1024 M N -0.545 118.757 119.600 -0.497 0.000 2.460 1024 M HA -0.096 4.467 4.480 0.138 0.000 0.263 1024 M C 1.976 177.885 176.300 -0.652 0.000 1.071 1024 M CA 1.229 56.202 55.300 -0.545 0.000 1.096 1024 M CB -1.140 31.194 32.600 -0.443 0.000 1.408 1024 M HN 0.355 nan 8.290 nan 0.000 0.463 1025 K N 0.284 120.236 120.400 -0.747 0.000 2.152 1025 K HA -0.181 4.222 4.320 0.138 0.000 0.206 1025 K C 1.931 178.270 176.600 -0.435 0.000 1.048 1025 K CA 1.140 56.919 56.287 -0.846 0.000 0.933 1025 K CB -0.103 31.890 32.500 -0.845 0.000 0.721 1025 K HN 0.409 nan 8.250 nan 0.000 0.447 1026 E N 0.033 119.883 120.200 -0.584 0.000 2.204 1026 E HA -0.090 4.343 4.350 0.138 0.000 0.194 1026 E C -0.408 176.023 176.600 -0.283 0.000 0.989 1026 E CA 0.420 56.537 56.400 -0.471 0.000 0.824 1026 E CB 0.200 29.485 29.700 -0.692 0.000 0.756 1026 E HN 0.040 nan 8.360 nan 0.000 0.477 1027 F N 0.692 120.628 119.950 -0.023 0.000 2.384 1027 F HA 0.311 4.921 4.527 0.137 0.000 0.338 1027 F C 0.542 176.352 175.800 0.018 0.000 1.103 1027 F CA -0.811 57.235 58.000 0.076 0.000 1.157 1027 F CB 0.650 39.646 39.000 -0.007 0.000 1.167 1027 F HN -0.182 nan 8.300 nan 0.000 0.529 1028 N N 2.346 121.169 118.700 0.205 0.000 2.685 1028 N HA 0.309 5.132 4.740 0.138 0.000 0.252 1028 N C -2.158 173.190 175.510 -0.271 0.000 1.261 1028 N CA -0.017 53.044 53.050 0.018 0.000 0.768 1028 N CB 1.022 39.580 38.487 0.120 0.000 1.304 1028 N HN 0.737 nan 8.380 nan 0.000 0.536 1029 C N 2.568 121.613 119.300 -0.426 0.000 2.686 1029 C HA 0.349 4.892 4.460 0.138 0.000 0.318 1029 C C 1.380 176.205 174.990 -0.275 0.000 1.160 1029 C CA -0.395 58.291 59.018 -0.554 0.000 1.396 1029 C CB 0.805 27.864 27.740 -1.136 0.000 1.924 1029 C HN 0.934 nan 8.230 nan 0.000 0.471 1030 H N 1.290 120.172 119.070 -0.313 0.000 2.491 1030 H HA 0.013 4.653 4.556 0.139 0.000 0.290 1030 H C 1.055 176.123 175.328 -0.433 0.000 1.050 1030 H CA 2.184 58.004 56.048 -0.380 0.000 1.309 1030 H CB 0.034 29.500 29.762 -0.492 0.000 1.392 1030 H HN 0.860 nan 8.280 nan 0.000 0.554 1031 H N -1.331 117.693 119.070 -0.078 0.000 2.505 1031 H HA 0.347 4.985 4.556 0.138 0.000 0.289 1031 H C -0.689 174.579 175.328 -0.100 0.000 1.052 1031 H CA -0.135 55.875 56.048 -0.065 0.000 1.156 1031 H CB 0.738 30.548 29.762 0.079 0.000 1.507 1031 H HN 0.011 nan 8.280 nan 0.000 0.548 1032 V N 1.586 121.436 119.914 -0.107 0.000 2.483 1032 V HA 0.108 4.311 4.120 0.138 0.000 0.297 1032 V C 0.043 176.054 176.094 -0.139 0.000 1.027 1032 V CA -1.104 61.123 62.300 -0.121 0.000 0.855 1032 V CB 2.164 33.876 31.823 -0.185 0.000 0.995 1032 V HN 0.008 nan 8.190 nan 0.000 0.424 1033 V N 6.105 125.955 119.914 -0.106 0.000 2.584 1033 V HA 0.029 4.232 4.120 0.138 0.000 0.303 1033 V C 0.927 176.949 176.094 -0.121 0.000 1.035 1033 V CA 0.379 62.616 62.300 -0.104 0.000 1.172 1033 V CB -0.195 31.587 31.823 -0.069 0.000 0.896 1033 V HN 0.767 nan 8.190 nan 0.000 0.486 1034 R N 3.894 124.333 120.500 -0.103 0.000 2.410 1034 R HA 0.491 4.914 4.340 0.138 0.000 0.288 1034 R C -0.350 175.889 176.300 -0.101 0.000 1.051 1034 R CA -0.790 55.256 56.100 -0.090 0.000 1.021 1034 R CB 1.040 31.313 30.300 -0.045 0.000 1.032 1034 R HN 0.615 nan 8.270 nan 0.000 0.481 1035 L N 3.824 124.952 121.223 -0.159 0.000 2.290 1035 L HA 0.167 4.590 4.340 0.138 0.000 0.284 1035 L C 0.258 177.092 176.870 -0.061 0.000 1.078 1035 L CA 0.133 54.850 54.840 -0.204 0.000 0.815 1035 L CB 0.613 42.409 42.059 -0.438 0.000 1.162 1035 L HN 0.692 nan 8.230 nan 0.000 0.435 1036 L N 4.799 126.041 121.223 0.032 0.000 2.537 1036 L HA 0.540 4.963 4.340 0.138 0.000 0.224 1036 L C 0.846 177.867 176.870 0.252 0.000 1.065 1036 L CA 0.272 55.212 54.840 0.167 0.000 0.860 1036 L CB 0.198 42.308 42.059 0.086 0.000 1.086 1036 L HN 0.776 nan 8.230 nan 0.000 0.482 1037 G N -0.649 108.248 108.800 0.163 0.000 2.506 1037 G HA2 0.517 4.560 3.960 0.138 0.000 0.292 1037 G HA3 0.517 4.560 3.960 0.138 0.000 0.292 1037 G C -2.042 172.910 174.900 0.087 0.000 1.425 1037 G CA -0.394 44.818 45.100 0.187 0.000 0.788 1037 G HN -0.310 nan 8.290 nan 0.000 0.490 1038 V N -0.043 119.932 119.914 0.102 0.000 2.686 1038 V HA 0.551 4.754 4.120 0.138 0.000 0.306 1038 V C -0.371 175.758 176.094 0.059 0.000 1.065 1038 V CA -0.694 61.636 62.300 0.050 0.000 0.894 1038 V CB 1.881 33.722 31.823 0.030 0.000 1.004 1038 V HN 0.768 nan 8.190 nan 0.000 0.424 1039 V N 3.482 123.432 119.914 0.059 0.000 2.220 1039 V HA 0.233 4.436 4.120 0.138 0.000 0.265 1039 V C 1.075 177.202 176.094 0.056 0.000 1.078 1039 V CA 0.363 62.694 62.300 0.052 0.000 0.872 1039 V CB 0.698 32.547 31.823 0.043 0.000 1.121 1039 V HN 1.032 nan 8.190 nan 0.000 0.460 1040 S N 1.655 117.382 115.700 0.044 0.000 2.517 1040 S HA 0.155 4.708 4.470 0.138 0.000 0.214 1040 S C 0.680 175.296 174.600 0.027 0.000 0.991 1040 S CA -0.201 58.023 58.200 0.040 0.000 0.906 1040 S CB 0.183 63.400 63.200 0.029 0.000 0.789 1040 S HN 0.564 nan 8.310 nan 0.000 0.513 1041 Q N 2.121 121.934 119.800 0.022 0.000 2.349 1041 Q HA 0.592 5.015 4.340 0.138 0.000 0.254 1041 Q C 0.721 176.727 176.000 0.011 0.000 0.980 1041 Q CA 0.657 56.468 55.803 0.014 0.000 0.924 1041 Q CB 0.527 29.271 28.738 0.011 0.000 1.209 1041 Q HN 0.600 nan 8.270 nan 0.000 0.445 1042 G N 2.792 111.597 108.800 0.008 0.000 2.760 1042 G HA2 -0.219 3.824 3.960 0.138 0.000 0.246 1042 G HA3 -0.219 3.824 3.960 0.138 0.000 0.246 1042 G C -0.893 174.008 174.900 0.002 0.000 1.359 1042 G CA -0.758 44.344 45.100 0.003 0.000 0.861 1042 G HN 0.522 nan 8.290 nan 0.000 0.541 1043 Q N 0.071 119.869 119.800 -0.004 0.000 2.413 1043 Q HA 0.618 5.040 4.340 0.138 0.000 0.276 1043 Q C -2.125 173.865 176.000 -0.015 0.000 1.099 1043 Q CA -1.574 54.223 55.803 -0.009 0.000 0.814 1043 Q CB 2.270 31.001 28.738 -0.012 0.000 1.379 1043 Q HN 0.662 nan 8.270 nan 0.000 0.436 1044 P HA 0.062 nan 4.420 nan 0.000 0.271 1044 P C -0.900 176.391 177.300 -0.015 0.000 1.216 1044 P CA -0.254 62.830 63.100 -0.027 0.000 0.771 1044 P CB 0.566 32.246 31.700 -0.034 0.000 0.864 1045 T N 3.669 118.207 114.554 -0.025 0.000 2.853 1045 T HA 0.302 4.735 4.350 0.138 0.000 0.298 1045 T C 0.424 175.170 174.700 0.078 0.000 0.978 1045 T CA 0.001 62.116 62.100 0.026 0.000 1.152 1045 T CB -0.166 68.710 68.868 0.014 0.000 0.914 1045 T HN 0.224 nan 8.240 nan 0.000 0.539 1046 L N 2.793 124.110 121.223 0.156 0.000 2.341 1046 L HA 0.807 5.230 4.340 0.138 0.000 0.267 1046 L C -0.634 176.369 176.870 0.222 0.000 1.009 1046 L CA -1.327 53.630 54.840 0.195 0.000 0.819 1046 L CB 2.062 44.180 42.059 0.098 0.000 1.323 1046 L HN 0.291 nan 8.230 nan 0.000 0.425 1047 V N 3.375 123.420 119.914 0.218 0.000 2.482 1047 V HA 0.416 4.619 4.120 0.138 0.000 0.295 1047 V C -0.385 175.742 176.094 0.055 0.000 1.026 1047 V CA -0.436 61.893 62.300 0.049 0.000 0.856 1047 V CB 2.116 33.839 31.823 -0.167 0.000 1.001 1047 V HN 0.403 nan 8.190 nan 0.000 0.424 1048 I N 5.791 126.377 120.570 0.025 0.000 2.353 1048 I HA 0.579 4.832 4.170 0.138 0.000 0.293 1048 I C 0.068 176.186 176.117 0.002 0.000 0.992 1048 I CA -0.150 61.169 61.300 0.032 0.000 1.268 1048 I CB 1.146 39.173 38.000 0.046 0.000 1.387 1048 I HN 0.521 nan 8.210 nan 0.000 0.478 1049 M N 3.170 122.773 119.600 0.005 0.000 2.631 1049 M HA 0.360 4.922 4.480 0.138 0.000 0.288 1049 M C -0.091 176.204 176.300 -0.009 0.000 1.260 1049 M CA -0.851 54.437 55.300 -0.020 0.000 0.842 1049 M CB 2.690 35.271 32.600 -0.032 0.000 1.743 1049 M HN 0.500 nan 8.290 nan 0.000 0.461 1050 E N 1.686 121.871 120.200 -0.025 0.000 2.529 1050 E HA 0.095 4.528 4.350 0.138 0.000 0.259 1050 E C -1.450 175.135 176.600 -0.024 0.000 0.966 1050 E CA -0.223 56.161 56.400 -0.028 0.000 0.937 1050 E CB 0.728 30.398 29.700 -0.051 0.000 0.923 1050 E HN 0.435 nan 8.360 nan 0.000 0.468 1051 L N 5.349 126.561 121.223 -0.020 0.000 2.305 1051 L HA 0.268 4.691 4.340 0.138 0.000 0.281 1051 L C -0.822 176.026 176.870 -0.037 0.000 1.085 1051 L CA -0.006 54.823 54.840 -0.018 0.000 0.813 1051 L CB 1.228 43.282 42.059 -0.009 0.000 1.157 1051 L HN 0.604 nan 8.230 nan 0.000 0.436 1052 M N 4.900 124.478 119.600 -0.038 0.000 2.006 1052 M HA 0.191 4.754 4.480 0.138 0.000 0.314 1052 M C 1.162 177.426 176.300 -0.060 0.000 0.926 1052 M CA -0.267 54.997 55.300 -0.059 0.000 0.906 1052 M CB 0.751 33.322 32.600 -0.049 0.000 1.422 1052 M HN 0.809 nan 8.290 nan 0.000 0.397 1053 T N -0.218 114.289 114.554 -0.080 0.000 2.803 1053 T HA -0.111 4.322 4.350 0.138 0.000 0.269 1053 T C 1.307 175.960 174.700 -0.080 0.000 1.052 1053 T CA 1.183 63.238 62.100 -0.074 0.000 1.136 1053 T CB -0.075 68.743 68.868 -0.082 0.000 0.864 1053 T HN 0.645 nan 8.240 nan 0.000 0.467 1054 R N 1.392 121.816 120.500 -0.127 0.000 2.356 1054 R HA 0.455 4.878 4.340 0.138 0.000 0.234 1054 R C 1.583 177.870 176.300 -0.021 0.000 0.929 1054 R CA 0.125 56.159 56.100 -0.110 0.000 1.084 1054 R CB -0.245 29.891 30.300 -0.273 0.000 1.105 1054 R HN 0.575 nan 8.270 nan 0.000 0.515 1055 G N 2.429 111.224 108.800 -0.009 0.000 2.645 1055 G HA2 -0.371 3.672 3.960 0.138 0.000 0.246 1055 G HA3 -0.371 3.672 3.960 0.138 0.000 0.246 1055 G C -0.644 174.294 174.900 0.063 0.000 1.322 1055 G CA -0.034 45.089 45.100 0.039 0.000 0.898 1055 G HN 0.584 nan 8.290 nan 0.000 0.573 1056 D N -0.629 119.838 120.400 0.112 0.000 2.372 1056 D HA 0.366 5.089 4.640 0.138 0.000 0.243 1056 D C 1.555 177.955 176.300 0.166 0.000 1.121 1056 D CA -0.091 53.990 54.000 0.134 0.000 0.898 1056 D CB 0.905 41.811 40.800 0.176 0.000 1.202 1056 D HN 0.726 nan 8.370 nan 0.000 0.428 1057 L N 1.917 123.224 121.223 0.139 0.000 2.131 1057 L HA -0.110 4.313 4.340 0.138 0.000 0.210 1057 L C 2.065 179.040 176.870 0.175 0.000 1.092 1057 L CA 1.751 56.699 54.840 0.181 0.000 0.759 1057 L CB -0.722 41.417 42.059 0.133 0.000 0.903 1057 L HN 0.685 nan 8.230 nan 0.000 0.435 1058 K N -1.277 119.171 120.400 0.080 0.000 2.057 1058 K HA -0.113 4.290 4.320 0.138 0.000 0.206 1058 K C 2.014 178.658 176.600 0.073 0.000 1.050 1058 K CA 1.466 57.737 56.287 -0.028 0.000 0.935 1058 K CB -0.029 32.250 32.500 -0.368 0.000 0.715 1058 K HN 0.374 nan 8.250 nan 0.000 0.439 1059 S N 0.099 115.927 115.700 0.215 0.000 2.383 1059 S HA -0.149 4.403 4.470 0.138 0.000 0.227 1059 S C 1.557 176.270 174.600 0.188 0.000 1.026 1059 S CA 1.042 59.395 58.200 0.255 0.000 0.981 1059 S CB -0.463 62.900 63.200 0.272 0.000 0.818 1059 S HN 0.417 nan 8.310 nan 0.000 0.472 1060 Y N 2.627 122.986 120.300 0.098 0.000 2.070 1060 Y HA -0.132 4.499 4.550 0.136 0.000 0.280 1060 Y C 1.880 177.826 175.900 0.077 0.000 1.148 1060 Y CA 1.335 59.490 58.100 0.091 0.000 1.125 1060 Y CB -0.723 37.797 38.460 0.099 0.000 0.975 1060 Y HN 0.120 nan 8.280 nan 0.000 0.492 1061 L N -0.056 121.120 121.223 -0.079 0.000 2.042 1061 L HA -0.251 4.172 4.340 0.138 0.000 0.210 1061 L C 2.646 179.430 176.870 -0.143 0.000 1.076 1061 L CA 1.746 56.484 54.840 -0.169 0.000 0.749 1061 L CB -0.539 41.505 42.059 -0.025 0.000 0.893 1061 L HN 0.146 nan 8.230 nan 0.000 0.432 1062 R N -0.355 120.115 120.500 -0.051 0.000 2.148 1062 R HA -0.106 4.317 4.340 0.138 0.000 0.227 1062 R C 2.546 178.822 176.300 -0.039 0.000 1.103 1062 R CA 1.356 57.443 56.100 -0.022 0.000 0.983 1062 R CB -0.270 30.059 30.300 0.048 0.000 0.874 1062 R HN 0.455 nan 8.270 nan 0.000 0.451 1063 S N 0.474 116.140 115.700 -0.058 0.000 2.481 1063 S HA -0.015 4.538 4.470 0.138 0.000 0.231 1063 S C 1.787 176.323 174.600 -0.106 0.000 0.996 1063 S CA 0.642 58.811 58.200 -0.052 0.000 0.942 1063 S CB -0.130 63.062 63.200 -0.014 0.000 0.768 1063 S HN 0.254 nan 8.310 nan 0.000 0.520 1064 L N 0.404 121.514 121.223 -0.188 0.000 2.492 1064 L HA 0.199 4.622 4.340 0.138 0.000 0.223 1064 L C 1.215 178.017 176.870 -0.114 0.000 1.132 1064 L CA 0.038 54.766 54.840 -0.187 0.000 0.850 1064 L CB -0.272 41.615 42.059 -0.286 0.000 0.966 1064 L HN 0.164 nan 8.230 nan 0.000 0.454 1065 R N 1.741 122.188 120.500 -0.089 0.000 2.590 1065 R HA 0.168 4.591 4.340 0.138 0.000 0.274 1065 R C -2.005 174.266 176.300 -0.049 0.000 1.061 1065 R CA -1.678 54.382 56.100 -0.066 0.000 1.081 1065 R CB -0.332 29.938 30.300 -0.050 0.000 0.984 1065 R HN -0.084 nan 8.270 nan 0.000 0.448 1066 P HA -0.107 nan 4.420 nan 0.000 0.262 1066 P C 0.354 177.641 177.300 -0.022 0.000 1.182 1066 P CA 0.297 63.377 63.100 -0.032 0.000 0.761 1066 P CB 0.558 32.238 31.700 -0.032 0.000 0.795 1067 E N 3.550 123.740 120.200 -0.016 0.000 2.058 1067 E HA -0.221 4.212 4.350 0.138 0.000 0.194 1067 E C 0.390 176.986 176.600 -0.008 0.000 0.997 1067 E CA 0.879 57.274 56.400 -0.009 0.000 0.801 1067 E CB -0.164 29.533 29.700 -0.006 0.000 0.746 1067 E HN 0.316 nan 8.360 nan 0.000 0.450 1068 M N 0.785 120.379 119.600 -0.010 0.000 2.752 1068 M HA -0.127 4.436 4.480 0.138 0.000 0.186 1068 M C -1.389 174.908 176.300 -0.006 0.000 1.019 1068 M CA 0.555 55.850 55.300 -0.010 0.000 0.653 1068 M CB -0.680 31.913 32.600 -0.011 0.000 1.267 1068 M HN 0.189 nan 8.290 nan 0.000 0.816 1069 E N 1.043 121.240 120.200 -0.005 0.000 4.172 1069 E HA 0.345 4.778 4.350 0.138 0.000 0.197 1069 E C 0.358 176.956 176.600 -0.004 0.000 1.088 1069 E CA 0.274 56.672 56.400 -0.004 0.000 1.461 1069 E CB -0.073 29.626 29.700 -0.002 0.000 1.180 1069 E HN 0.633 nan 8.360 nan 0.000 0.419 1070 N N -0.225 118.472 118.700 -0.005 0.000 2.965 1070 N HA -0.174 4.649 4.740 0.138 0.000 0.232 1070 N C -0.024 175.482 175.510 -0.005 0.000 0.913 1070 N CA 0.741 53.787 53.050 -0.006 0.000 0.981 1070 N CB -1.011 37.473 38.487 -0.004 0.000 1.077 1070 N HN 0.356 nan 8.380 nan 0.000 0.589 1071 N N 1.686 120.383 118.700 -0.005 0.000 2.515 1071 N HA 0.331 5.154 4.740 0.138 0.000 0.279 1071 N C -2.185 173.321 175.510 -0.006 0.000 1.164 1071 N CA -0.729 52.319 53.050 -0.004 0.000 0.982 1071 N CB 0.673 39.159 38.487 -0.002 0.000 1.170 1071 N HN 0.004 nan 8.380 nan 0.000 0.474 1072 P HA 0.069 nan 4.420 nan 0.000 0.268 1072 P C -0.807 176.487 177.300 -0.010 0.000 1.208 1072 P CA -0.140 62.955 63.100 -0.008 0.000 0.777 1072 P CB 0.737 32.434 31.700 -0.006 0.000 0.875 1073 V N 3.361 123.266 119.914 -0.015 0.000 2.876 1073 V HA 0.279 4.482 4.120 0.138 0.000 0.312 1073 V C -0.729 175.351 176.094 -0.023 0.000 1.085 1073 V CA -1.178 61.110 62.300 -0.019 0.000 0.945 1073 V CB 2.132 33.941 31.823 -0.024 0.000 1.017 1073 V HN 0.387 nan 8.190 nan 0.000 0.428 1074 L N 4.988 126.196 121.223 -0.026 0.000 2.455 1074 L HA 0.420 4.843 4.340 0.138 0.000 0.272 1074 L C 0.824 177.668 176.870 -0.043 0.000 1.174 1074 L CA 0.619 55.440 54.840 -0.032 0.000 0.869 1074 L CB 1.002 43.042 42.059 -0.032 0.000 1.130 1074 L HN 0.955 nan 8.230 nan 0.000 0.474 1075 A N 8.051 130.845 122.820 -0.043 0.000 2.466 1075 A HA 0.384 4.786 4.320 0.138 0.000 0.238 1075 A C -1.949 175.599 177.584 -0.060 0.000 1.074 1075 A CA -0.862 51.146 52.037 -0.048 0.000 0.774 1075 A CB -0.796 18.178 19.000 -0.044 0.000 1.015 1075 A HN 0.662 nan 8.150 nan 0.000 0.498 1076 P HA 0.213 nan 4.420 nan 0.000 0.268 1076 P C -2.459 174.798 177.300 -0.072 0.000 1.208 1076 P CA -0.773 62.280 63.100 -0.078 0.000 0.777 1076 P CB -0.834 30.816 31.700 -0.083 0.000 0.875 1077 P HA -0.013 nan 4.420 nan 0.000 0.264 1077 P C 0.220 177.487 177.300 -0.056 0.000 1.183 1077 P CA 0.296 63.360 63.100 -0.060 0.000 0.763 1077 P CB 0.074 31.749 31.700 -0.042 0.000 0.807 1078 S N 2.626 118.294 115.700 -0.052 0.000 2.584 1078 S HA 0.030 4.583 4.470 0.138 0.000 0.270 1078 S C 1.162 175.736 174.600 -0.043 0.000 1.346 1078 S CA -0.631 57.540 58.200 -0.047 0.000 1.018 1078 S CB 0.236 63.410 63.200 -0.045 0.000 0.899 1078 S HN 0.401 nan 8.310 nan 0.000 0.542 1079 L N 2.192 123.390 121.223 -0.041 0.000 2.081 1079 L HA -0.089 4.334 4.340 0.138 0.000 0.212 1079 L C 2.428 179.276 176.870 -0.037 0.000 1.080 1079 L CA 2.135 56.953 54.840 -0.038 0.000 0.754 1079 L CB -1.324 40.716 42.059 -0.033 0.000 0.893 1079 L HN 0.847 nan 8.230 nan 0.000 0.433 1080 S N -0.703 114.975 115.700 -0.037 0.000 2.368 1080 S HA -0.138 4.415 4.470 0.138 0.000 0.225 1080 S C 1.922 176.499 174.600 -0.038 0.000 1.030 1080 S CA 1.091 59.268 58.200 -0.038 0.000 0.999 1080 S CB -0.218 62.961 63.200 -0.035 0.000 0.844 1080 S HN 0.428 nan 8.310 nan 0.000 0.459 1081 K N 0.976 121.354 120.400 -0.037 0.000 2.097 1081 K HA 0.060 4.463 4.320 0.138 0.000 0.205 1081 K C 2.049 178.640 176.600 -0.015 0.000 1.050 1081 K CA 0.967 57.236 56.287 -0.031 0.000 0.938 1081 K CB -0.399 32.074 32.500 -0.045 0.000 0.718 1081 K HN 0.441 nan 8.250 nan 0.000 0.442 1082 M N 0.314 119.902 119.600 -0.021 0.000 2.132 1082 M HA -0.131 4.432 4.480 0.138 0.000 0.263 1082 M C 2.022 178.309 176.300 -0.022 0.000 1.065 1082 M CA 1.136 56.425 55.300 -0.019 0.000 1.122 1082 M CB -0.297 32.283 32.600 -0.033 0.000 1.365 1082 M HN -0.010 nan 8.290 nan 0.000 0.411 1083 I N 0.318 120.868 120.570 -0.034 0.000 2.252 1083 I HA -0.240 4.013 4.170 0.138 0.000 0.245 1083 I C 2.466 178.542 176.117 -0.068 0.000 1.102 1083 I CA 1.564 62.836 61.300 -0.046 0.000 1.385 1083 I CB -1.392 36.572 38.000 -0.059 0.000 1.064 1083 I HN 0.334 nan 8.210 nan 0.000 0.414 1084 Q N 0.774 120.536 119.800 -0.063 0.000 2.084 1084 Q HA -0.148 4.274 4.340 0.138 0.000 0.202 1084 Q C 2.272 178.257 176.000 -0.026 0.000 0.978 1084 Q CA 1.710 57.474 55.803 -0.066 0.000 0.844 1084 Q CB -0.136 28.587 28.738 -0.024 0.000 0.898 1084 Q HN 0.423 nan 8.270 nan 0.000 0.426 1085 M N -0.820 118.786 119.600 0.010 0.000 2.099 1085 M HA -0.113 4.450 4.480 0.138 0.000 0.262 1085 M C 2.231 178.563 176.300 0.053 0.000 1.067 1085 M CA 1.439 56.763 55.300 0.041 0.000 1.124 1085 M CB -0.600 32.033 32.600 0.055 0.000 1.353 1085 M HN 0.339 nan 8.290 nan 0.000 0.410 1086 A N 0.909 123.760 122.820 0.052 0.000 1.892 1086 A HA -0.128 4.275 4.320 0.138 0.000 0.218 1086 A C 2.370 180.088 177.584 0.223 0.000 1.188 1086 A CA 2.222 54.359 52.037 0.167 0.000 0.631 1086 A CB -1.647 17.430 19.000 0.128 0.000 0.822 1086 A HN 0.571 nan 8.150 nan 0.000 0.447 1087 G N -0.879 107.926 108.800 0.007 0.000 2.422 1087 G HA2 -0.173 3.870 3.960 0.138 0.000 0.218 1087 G HA3 -0.173 3.870 3.960 0.138 0.000 0.218 1087 G C 1.445 176.295 174.900 -0.083 0.000 1.146 1087 G CA 1.023 46.030 45.100 -0.155 0.000 0.769 1087 G HN 0.664 nan 8.290 nan 0.000 0.547 1088 E N -0.000 120.142 120.200 -0.097 0.000 2.047 1088 E HA -0.049 4.384 4.350 0.138 0.000 0.191 1088 E C 2.505 179.057 176.600 -0.079 0.000 0.987 1088 E CA 0.670 56.922 56.400 -0.247 0.000 0.799 1088 E CB -0.138 29.508 29.700 -0.091 0.000 0.752 1088 E HN 0.469 nan 8.360 nan 0.000 0.449 1089 I N 1.252 121.865 120.570 0.072 0.000 2.127 1089 I HA -0.297 3.956 4.170 0.138 0.000 0.241 1089 I C 2.546 178.694 176.117 0.052 0.000 1.075 1089 I CA 1.179 62.560 61.300 0.135 0.000 1.334 1089 I CB -0.345 37.817 38.000 0.271 0.000 1.040 1089 I HN 0.088 nan 8.210 nan 0.000 0.405 1090 A N 0.135 122.999 122.820 0.075 0.000 1.940 1090 A HA -0.321 4.082 4.320 0.138 0.000 0.219 1090 A C 1.985 179.527 177.584 -0.069 0.000 1.176 1090 A CA 2.462 54.378 52.037 -0.201 0.000 0.631 1090 A CB -0.817 18.076 19.000 -0.178 0.000 0.814 1090 A HN 0.494 nan 8.150 nan 0.000 0.446 1091 D N -0.978 119.488 120.400 0.111 0.000 2.117 1091 D HA -0.014 4.709 4.640 0.138 0.000 0.198 1091 D C 2.007 178.443 176.300 0.228 0.000 0.982 1091 D CA 1.546 55.720 54.000 0.290 0.000 0.828 1091 D CB -0.381 40.655 40.800 0.393 0.000 0.967 1091 D HN 0.303 nan 8.370 nan 0.000 0.464 1092 G N 0.005 108.878 108.800 0.121 0.000 2.418 1092 G HA2 -0.218 3.824 3.960 0.138 0.000 0.217 1092 G HA3 -0.218 3.824 3.960 0.138 0.000 0.217 1092 G C 1.507 176.375 174.900 -0.052 0.000 1.158 1092 G CA 0.650 45.792 45.100 0.071 0.000 0.771 1092 G HN 0.172 nan 8.290 nan 0.000 0.545 1093 M N 1.050 120.497 119.600 -0.256 0.000 2.200 1093 M HA 0.150 4.713 4.480 0.138 0.000 0.265 1093 M C 2.952 179.011 176.300 -0.401 0.000 1.066 1093 M CA 1.079 56.037 55.300 -0.570 0.000 1.127 1093 M CB -1.093 30.638 32.600 -1.449 0.000 1.379 1093 M HN 0.312 nan 8.290 nan 0.000 0.420 1094 A N -1.053 121.664 122.820 -0.171 0.000 1.930 1094 A HA -0.197 4.206 4.320 0.138 0.000 0.217 1094 A C 2.133 179.586 177.584 -0.217 0.000 1.175 1094 A CA 1.118 53.219 52.037 0.106 0.000 0.627 1094 A CB -1.021 18.234 19.000 0.425 0.000 0.815 1094 A HN 0.513 nan 8.150 nan 0.000 0.443 1095 Y N 0.454 120.405 120.300 -0.581 0.000 2.200 1095 Y HA -0.133 4.499 4.550 0.137 0.000 0.290 1095 Y C 1.899 177.474 175.900 -0.542 0.000 1.137 1095 Y CA 1.811 59.234 58.100 -1.128 0.000 1.163 1095 Y CB -0.247 37.841 38.460 -0.621 0.000 0.988 1095 Y HN 0.203 nan 8.280 nan 0.000 0.518 1096 L N 0.618 121.674 121.223 -0.279 0.000 2.046 1096 L HA -0.264 4.159 4.340 0.138 0.000 0.208 1096 L C 2.602 179.412 176.870 -0.100 0.000 1.077 1096 L CA 1.813 56.520 54.840 -0.220 0.000 0.747 1096 L CB -0.796 41.191 42.059 -0.120 0.000 0.896 1096 L HN 0.431 nan 8.230 nan 0.000 0.432 1097 N N 0.498 119.158 118.700 -0.067 0.000 2.120 1097 N HA -0.203 4.620 4.740 0.138 0.000 0.188 1097 N C 1.845 177.337 175.510 -0.030 0.000 1.024 1097 N CA 1.425 54.487 53.050 0.021 0.000 0.852 1097 N CB 0.098 38.656 38.487 0.119 0.000 1.003 1097 N HN 0.308 nan 8.380 nan 0.000 0.424 1098 A N 0.830 123.570 122.820 -0.133 0.000 2.019 1098 A HA -0.073 4.330 4.320 0.138 0.000 0.219 1098 A C 1.588 179.098 177.584 -0.123 0.000 1.164 1098 A CA 0.993 52.967 52.037 -0.105 0.000 0.644 1098 A CB -0.329 18.587 19.000 -0.141 0.000 0.805 1098 A HN 0.440 nan 8.150 nan 0.000 0.449 1099 N N -0.254 118.338 118.700 -0.180 0.000 2.313 1099 N HA 0.073 4.896 4.740 0.138 0.000 0.207 1099 N C -0.572 175.043 175.510 0.175 0.000 1.141 1099 N CA 0.337 53.383 53.050 -0.007 0.000 0.830 1099 N CB 0.195 38.660 38.487 -0.036 0.000 1.008 1099 N HN 0.453 nan 8.380 nan 0.000 0.481 1100 K N -0.575 119.859 120.400 0.056 0.000 3.230 1100 K HA -0.171 4.231 4.320 0.138 0.000 0.285 1100 K C -0.868 175.641 176.600 -0.152 0.000 1.196 1100 K CA 0.640 56.900 56.287 -0.045 0.000 0.838 1100 K CB -1.840 30.599 32.500 -0.102 0.000 1.262 1100 K HN 0.092 nan 8.250 nan 0.000 0.492 1101 F N 0.179 120.132 119.950 0.005 0.000 2.450 1101 F HA 0.429 5.038 4.527 0.137 0.000 0.332 1101 F C 0.508 176.299 175.800 -0.014 0.000 1.093 1101 F CA -0.978 57.026 58.000 0.007 0.000 1.003 1101 F CB 1.658 40.679 39.000 0.035 0.000 1.151 1101 F HN -0.125 nan 8.300 nan 0.000 0.474 1102 V N 4.291 124.281 119.914 0.126 0.000 2.370 1102 V HA 0.261 4.464 4.120 0.138 0.000 0.283 1102 V C 0.617 176.755 176.094 0.074 0.000 1.023 1102 V CA -0.214 62.151 62.300 0.108 0.000 0.857 1102 V CB 1.006 32.879 31.823 0.084 0.000 0.985 1102 V HN 0.940 nan 8.190 nan 0.000 0.443 1103 H N 6.053 125.109 119.070 -0.023 0.000 2.333 1103 H HA 0.009 4.646 4.556 0.135 0.000 0.302 1103 H C 1.690 176.904 175.328 -0.192 0.000 1.075 1103 H CA 2.241 58.191 56.048 -0.164 0.000 1.348 1103 H CB 0.364 30.053 29.762 -0.122 0.000 1.393 1103 H HN 0.914 nan 8.280 nan 0.000 0.509 1104 R N -1.060 119.475 120.500 0.058 0.000 3.746 1104 R HA -0.187 4.235 4.340 0.138 0.000 0.465 1104 R C -0.222 176.015 176.300 -0.104 0.000 0.725 1104 R CA 1.438 57.383 56.100 -0.257 0.000 1.545 1104 R CB -1.427 28.477 30.300 -0.661 0.000 2.197 1104 R HN 0.328 nan 8.270 nan 0.000 0.438 1105 D N 0.065 120.606 120.400 0.235 0.000 2.940 1105 D HA 0.170 4.893 4.640 0.138 0.000 0.366 1105 D C -1.184 175.218 176.300 0.170 0.000 1.446 1105 D CA -0.448 53.676 54.000 0.206 0.000 0.780 1105 D CB 0.424 41.309 40.800 0.141 0.000 1.206 1105 D HN 0.047 nan 8.370 nan 0.000 0.454 1106 L N 1.606 122.853 121.223 0.041 0.000 2.360 1106 L HA 0.685 5.108 4.340 0.138 0.000 0.276 1106 L C -0.549 176.328 176.870 0.013 0.000 1.121 1106 L CA 0.201 54.940 54.840 -0.169 0.000 0.845 1106 L CB 0.490 42.505 42.059 -0.075 0.000 1.143 1106 L HN 0.211 nan 8.230 nan 0.000 0.452 1107 A N 3.873 126.651 122.820 -0.069 0.000 2.590 1107 A HA 0.647 5.050 4.320 0.138 0.000 0.294 1107 A C 0.476 178.031 177.584 -0.048 0.000 1.046 1107 A CA -0.164 51.792 52.037 -0.135 0.000 0.684 1107 A CB 0.219 18.770 19.000 -0.749 0.000 1.279 1107 A HN 1.098 nan 8.150 nan 0.000 0.415 1108 A N 1.076 123.923 122.820 0.044 0.000 1.948 1108 A HA -0.199 4.204 4.320 0.138 0.000 0.220 1108 A C 1.961 179.541 177.584 -0.005 0.000 1.177 1108 A CA 2.239 54.303 52.037 0.045 0.000 0.636 1108 A CB -0.660 18.391 19.000 0.086 0.000 0.815 1108 A HN 1.225 nan 8.150 nan 0.000 0.449 1109 R N -0.955 119.485 120.500 -0.099 0.000 2.193 1109 R HA -0.039 4.384 4.340 0.138 0.000 0.229 1109 R C 0.382 176.720 176.300 0.064 0.000 1.110 1109 R CA 1.562 57.642 56.100 -0.034 0.000 0.988 1109 R CB -0.423 29.831 30.300 -0.077 0.000 0.871 1109 R HN 0.373 nan 8.270 nan 0.000 0.458 1110 N N -0.044 118.674 118.700 0.031 0.000 2.214 1110 N HA 0.122 4.945 4.740 0.138 0.000 0.214 1110 N C -0.899 174.662 175.510 0.085 0.000 1.132 1110 N CA -0.079 53.023 53.050 0.086 0.000 0.856 1110 N CB 0.664 39.223 38.487 0.120 0.000 1.020 1110 N HN 0.137 nan 8.380 nan 0.000 0.509 1111 C N 1.273 120.611 119.300 0.064 0.000 2.411 1111 C HA 0.584 5.127 4.460 0.138 0.000 0.330 1111 C C 0.093 175.120 174.990 0.062 0.000 1.224 1111 C CA -0.812 58.243 59.018 0.061 0.000 1.770 1111 C CB 1.123 28.898 27.740 0.059 0.000 2.297 1111 C HN 0.181 nan 8.230 nan 0.000 0.507 1112 M N 2.342 121.968 119.600 0.043 0.000 2.664 1112 M HA 0.585 5.148 4.480 0.138 0.000 0.314 1112 M C -0.735 175.555 176.300 -0.016 0.000 1.200 1112 M CA -0.636 54.677 55.300 0.021 0.000 0.916 1112 M CB 1.697 34.303 32.600 0.010 0.000 1.717 1112 M HN 0.316 nan 8.290 nan 0.000 0.470 1113 V N 1.476 121.352 119.914 -0.063 0.000 2.444 1113 V HA 0.678 4.881 4.120 0.138 0.000 0.294 1113 V C 0.287 176.274 176.094 -0.178 0.000 1.022 1113 V CA -1.007 61.202 62.300 -0.152 0.000 0.850 1113 V CB 1.213 32.846 31.823 -0.317 0.000 0.992 1113 V HN 1.015 nan 8.190 nan 0.000 0.426 1114 A N 2.941 125.665 122.820 -0.160 0.000 2.259 1114 A HA 0.507 4.910 4.320 0.138 0.000 0.278 1114 A C 1.312 178.737 177.584 -0.264 0.000 1.107 1114 A CA 0.103 52.044 52.037 -0.160 0.000 0.828 1114 A CB 0.308 19.246 19.000 -0.104 0.000 1.111 1114 A HN 0.936 nan 8.150 nan 0.000 0.498 1115 E N 0.221 120.292 120.200 -0.215 0.000 2.097 1115 E HA -0.232 4.201 4.350 0.138 0.000 0.196 1115 E C 0.957 177.369 176.600 -0.314 0.000 1.000 1115 E CA 2.167 58.412 56.400 -0.258 0.000 0.804 1115 E CB -0.145 29.475 29.700 -0.133 0.000 0.740 1115 E HN 0.723 nan 8.360 nan 0.000 0.454 1116 D N -1.277 119.036 120.400 -0.144 0.000 2.319 1116 D HA -0.087 4.636 4.640 0.138 0.000 0.230 1116 D C 0.004 176.400 176.300 0.161 0.000 1.094 1116 D CA -0.098 53.912 54.000 0.018 0.000 0.856 1116 D CB -0.655 40.190 40.800 0.074 0.000 0.915 1116 D HN 0.340 nan 8.370 nan 0.000 0.517 1117 F N -1.329 118.592 119.950 -0.049 0.000 2.794 1117 F HA -0.252 4.358 4.527 0.137 0.000 0.335 1117 F C 0.451 176.217 175.800 -0.056 0.000 0.653 1117 F CA 0.818 58.758 58.000 -0.100 0.000 1.266 1117 F CB -2.606 36.349 39.000 -0.075 0.000 1.666 1117 F HN -0.110 nan 8.300 nan 0.000 0.314 1118 T N 2.063 116.683 114.554 0.110 0.000 2.902 1118 T HA 0.391 4.824 4.350 0.138 0.000 0.301 1118 T C 0.529 175.270 174.700 0.069 0.000 1.012 1118 T CA -0.140 62.039 62.100 0.131 0.000 1.151 1118 T CB 1.142 70.094 68.868 0.140 0.000 0.946 1118 T HN 0.056 nan 8.240 nan 0.000 0.542 1119 V N 5.028 125.004 119.914 0.103 0.000 2.539 1119 V HA 0.470 4.673 4.120 0.138 0.000 0.292 1119 V C 0.303 176.459 176.094 0.103 0.000 1.045 1119 V CA -0.463 61.878 62.300 0.069 0.000 0.945 1119 V CB 1.364 33.228 31.823 0.069 0.000 0.993 1119 V HN 0.774 nan 8.190 nan 0.000 0.464 1120 K N 3.515 123.950 120.400 0.058 0.000 2.482 1120 K HA 0.591 4.994 4.320 0.138 0.000 0.257 1120 K C -1.388 175.239 176.600 0.045 0.000 0.969 1120 K CA -1.019 55.301 56.287 0.054 0.000 0.842 1120 K CB 2.324 34.810 32.500 -0.022 0.000 1.359 1120 K HN 0.328 nan 8.250 nan 0.000 0.441 1121 I N 2.297 122.895 120.570 0.046 0.000 2.471 1121 I HA 0.084 4.337 4.170 0.138 0.000 0.286 1121 I C 1.097 177.263 176.117 0.082 0.000 1.079 1121 I CA 0.250 61.594 61.300 0.074 0.000 1.398 1121 I CB 0.055 38.109 38.000 0.091 0.000 1.403 1121 I HN 0.700 nan 8.210 nan 0.000 0.530 1122 G N 4.394 113.269 108.800 0.124 0.000 2.606 1122 G HA2 0.076 4.119 3.960 0.138 0.000 0.252 1122 G HA3 0.076 4.119 3.960 0.138 0.000 0.252 1122 G C -0.191 174.791 174.900 0.136 0.000 1.206 1122 G CA -0.371 44.791 45.100 0.105 0.000 0.861 1122 G HN 0.676 nan 8.290 nan 0.000 0.561 1123 D N -0.337 120.091 120.400 0.047 0.000 2.583 1123 D HA -0.055 4.668 4.640 0.138 0.000 0.232 1123 D C 0.426 176.832 176.300 0.177 0.000 1.128 1123 D CA 0.411 54.409 54.000 -0.003 0.000 0.859 1123 D CB 0.011 40.807 40.800 -0.008 0.000 1.169 1123 D HN 0.167 nan 8.370 nan 0.000 0.481 1124 F N 2.008 121.939 119.950 -0.031 0.000 2.506 1124 F HA 0.223 4.833 4.527 0.138 0.000 0.351 1124 F C 2.078 177.862 175.800 -0.026 0.000 1.136 1124 F CA -0.396 57.567 58.000 -0.062 0.000 1.298 1124 F CB 0.762 39.701 39.000 -0.101 0.000 1.145 1124 F HN 0.641 nan 8.300 nan 0.000 0.593 1125 G N 3.108 111.990 108.800 0.136 0.000 2.203 1125 G HA2 -0.312 3.731 3.960 0.138 0.000 0.263 1125 G HA3 -0.312 3.731 3.960 0.138 0.000 0.263 1125 G C 0.106 175.053 174.900 0.078 0.000 1.012 1125 G CA -0.541 44.603 45.100 0.073 0.000 0.749 1125 G HN 0.424 nan 8.290 nan 0.000 0.512 1126 M N 1.011 120.668 119.600 0.096 0.000 2.307 1126 M HA 0.176 4.739 4.480 0.138 0.000 0.346 1126 M C 1.764 178.085 176.300 0.036 0.000 1.552 1126 M CA 0.739 56.089 55.300 0.084 0.000 1.116 1126 M CB 0.133 32.789 32.600 0.095 0.000 1.889 1126 M HN 0.167 nan 8.290 nan 0.000 0.460 1127 T N 4.323 118.875 114.554 -0.004 0.000 2.809 1127 T HA 0.042 4.475 4.350 0.138 0.000 0.260 1127 T C 1.237 175.912 174.700 -0.041 0.000 1.039 1127 T CA 0.490 62.552 62.100 -0.064 0.000 1.141 1127 T CB 0.238 69.035 68.868 -0.119 0.000 0.869 1127 T HN 0.655 nan 8.240 nan 0.000 0.437 1128 R N -0.105 120.378 120.500 -0.029 0.000 3.937 1128 R HA -0.235 4.188 4.340 0.138 0.000 0.216 1128 R C 0.459 176.722 176.300 -0.062 0.000 0.440 1128 R CA 1.881 57.958 56.100 -0.038 0.000 0.927 1128 R CB -1.566 28.720 30.300 -0.023 0.000 0.935 1128 R HN 0.447 nan 8.270 nan 0.000 0.584 1129 D N -2.879 117.482 120.400 -0.066 0.000 4.047 1129 D HA 0.009 4.732 4.640 0.138 0.000 0.275 1129 D C 0.891 177.140 176.300 -0.085 0.000 0.390 1129 D CA 0.933 54.896 54.000 -0.062 0.000 0.715 1129 D CB -1.041 39.721 40.800 -0.064 0.000 1.577 1129 D HN 0.297 nan 8.370 nan 0.000 0.290 1130 I N 0.409 120.858 120.570 -0.201 0.000 2.194 1130 I HA -0.283 3.970 4.170 0.138 0.000 0.246 1130 I C 0.761 176.640 176.117 -0.396 0.000 1.093 1130 I CA 1.676 62.739 61.300 -0.396 0.000 1.355 1130 I CB 0.033 37.634 38.000 -0.665 0.000 1.046 1130 I HN 0.078 nan 8.210 nan 0.000 0.413 1131 Y N 1.344 121.699 120.300 0.092 0.000 2.708 1131 Y HA 0.138 4.763 4.550 0.125 0.000 0.287 1131 Y C 1.813 177.834 175.900 0.201 0.000 1.145 1131 Y CA -0.470 57.704 58.100 0.122 0.000 1.249 1131 Y CB -0.989 37.526 38.460 0.091 0.000 1.152 1131 Y HN 0.355 nan 8.280 nan 0.000 0.532 1132 E N -0.604 119.744 120.200 0.247 0.000 2.204 1132 E HA -0.193 4.240 4.350 0.138 0.000 0.195 1132 E C 1.441 178.233 176.600 0.320 0.000 0.990 1132 E CA 1.743 58.301 56.400 0.263 0.000 0.821 1132 E CB -0.412 29.358 29.700 0.116 0.000 0.750 1132 E HN 0.419 nan 8.360 nan 0.000 0.477 1133 T N -1.656 113.056 114.554 0.263 0.000 3.160 1133 T HA -0.030 4.403 4.350 0.138 0.000 0.257 1133 T C 0.794 175.643 174.700 0.247 0.000 1.147 1133 T CA 0.713 62.955 62.100 0.236 0.000 1.064 1133 T CB -0.032 68.949 68.868 0.189 0.000 0.949 1133 T HN -0.023 nan 8.240 nan 0.000 0.526 1134 D N 0.313 120.851 120.400 0.230 0.000 2.349 1134 D HA 0.170 4.892 4.640 0.138 0.000 0.224 1134 D C -0.590 175.572 176.300 -0.230 0.000 1.029 1134 D CA 0.335 54.360 54.000 0.042 0.000 0.879 1134 D CB -0.024 40.608 40.800 -0.280 0.000 0.906 1134 D HN 0.550 nan 8.370 nan 0.000 0.528 1135 Y N -0.824 119.599 120.300 0.205 0.000 2.485 1135 Y HA 0.478 5.078 4.550 0.082 0.000 0.345 1135 Y C -0.754 175.309 175.900 0.272 0.000 0.998 1135 Y CA -1.323 56.898 58.100 0.202 0.000 1.059 1135 Y CB 1.534 40.066 38.460 0.120 0.000 1.234 1135 Y HN -0.243 nan 8.280 nan 0.000 0.461 1136 Y N 2.365 122.808 120.300 0.238 0.000 2.441 1136 Y HA 0.489 5.096 4.550 0.095 0.000 0.334 1136 Y C -1.214 174.765 175.900 0.131 0.000 1.061 1136 Y CA -1.670 56.522 58.100 0.153 0.000 1.032 1136 Y CB 1.502 40.030 38.460 0.114 0.000 1.266 1136 Y HN 0.686 nan 8.280 nan 0.000 0.441 1137 R N 4.097 124.305 120.500 -0.486 0.000 2.246 1137 R HA 0.448 4.871 4.340 0.138 0.000 0.332 1137 R C -0.290 175.622 176.300 -0.646 0.000 0.974 1137 R CA -0.841 55.017 56.100 -0.405 0.000 0.837 1137 R CB 1.810 32.002 30.300 -0.180 0.000 1.145 1137 R HN 0.580 nan 8.270 nan 0.000 0.467 1138 K N 2.724 122.907 120.400 -0.361 0.000 2.242 1138 K HA 0.163 4.566 4.320 0.138 0.000 0.200 1138 K C 0.887 177.426 176.600 -0.102 0.000 1.050 1138 K CA 1.239 57.409 56.287 -0.196 0.000 0.981 1138 K CB 0.270 32.772 32.500 0.003 0.000 0.795 1138 K HN 0.753 nan 8.250 nan 0.000 0.477 1139 G N -1.197 107.558 108.800 -0.075 0.000 3.441 1139 G HA2 0.369 4.412 3.960 0.138 0.000 0.195 1139 G HA3 0.369 4.412 3.960 0.138 0.000 0.195 1139 G C 0.715 175.590 174.900 -0.042 0.000 1.633 1139 G CA 0.033 45.108 45.100 -0.041 0.000 0.895 1139 G HN 0.354 nan 8.290 nan 0.000 0.654 1140 G N -0.812 107.974 108.800 -0.023 0.000 2.508 1140 G HA2 0.204 4.247 3.960 0.138 0.000 0.217 1140 G HA3 0.204 4.247 3.960 0.138 0.000 0.217 1140 G C 0.667 175.557 174.900 -0.016 0.000 2.004 1140 G CA 0.080 45.169 45.100 -0.019 0.000 0.750 1140 G HN 0.425 nan 8.290 nan 0.000 0.730 1141 K N 1.439 121.838 120.400 -0.003 0.000 3.192 1141 K HA 0.301 4.704 4.320 0.138 0.000 0.269 1141 K C 0.195 176.805 176.600 0.017 0.000 1.270 1141 K CA -0.065 56.222 56.287 0.001 0.000 1.249 1141 K CB -0.460 32.043 32.500 0.005 0.000 1.528 1141 K HN 0.287 nan 8.250 nan 0.000 0.360 1142 G N 1.757 110.565 108.800 0.014 0.000 4.959 1142 G HA2 0.136 4.179 3.960 0.138 0.000 0.297 1142 G HA3 0.136 4.179 3.960 0.138 0.000 0.297 1142 G C -0.997 173.927 174.900 0.040 0.000 1.351 1142 G CA -0.444 44.681 45.100 0.042 0.000 1.016 1142 G HN 0.296 nan 8.290 nan 0.000 0.592 1143 L N 1.655 122.905 121.223 0.044 0.000 2.334 1143 L HA 0.573 4.996 4.340 0.138 0.000 0.286 1143 L C -0.445 176.542 176.870 0.194 0.000 1.108 1143 L CA -0.261 54.625 54.840 0.077 0.000 0.875 1143 L CB 0.007 42.083 42.059 0.028 0.000 1.246 1143 L HN 0.101 nan 8.230 nan 0.000 0.439 1144 L N 6.250 127.632 121.223 0.266 0.000 2.333 1144 L HA 0.596 5.019 4.340 0.138 0.000 0.269 1144 L C -2.016 175.071 176.870 0.362 0.000 1.010 1144 L CA -1.876 53.169 54.840 0.342 0.000 0.818 1144 L CB 2.154 44.391 42.059 0.296 0.000 1.306 1144 L HN 0.385 nan 8.230 nan 0.000 0.430 1145 P HA 0.009 nan 4.420 nan 0.000 0.225 1145 P C 1.031 178.513 177.300 0.303 0.000 1.813 1145 P CA -0.177 62.961 63.100 0.063 0.000 1.013 1145 P CB 0.173 31.797 31.700 -0.127 0.000 1.961 1146 V N 1.941 122.016 119.914 0.269 0.000 2.317 1146 V HA -0.305 3.898 4.120 0.138 0.000 0.251 1146 V C 2.026 178.205 176.094 0.142 0.000 1.065 1146 V CA 1.559 63.975 62.300 0.194 0.000 1.049 1146 V CB -1.392 30.524 31.823 0.155 0.000 0.651 1146 V HN 0.182 nan 8.190 nan 0.000 0.450 1147 R N -1.259 119.355 120.500 0.190 0.000 2.280 1147 R HA 0.045 4.468 4.340 0.138 0.000 0.207 1147 R C 1.821 178.040 176.300 -0.135 0.000 1.043 1147 R CA 1.444 57.536 56.100 -0.013 0.000 1.006 1147 R CB -0.194 29.976 30.300 -0.216 0.000 0.885 1147 R HN 0.674 nan 8.270 nan 0.000 0.467 1148 W N -0.332 121.077 121.300 0.182 0.000 3.127 1148 W HA 0.292 5.028 4.660 0.127 0.000 0.344 1148 W C 0.025 176.752 176.519 0.346 0.000 1.151 1148 W CA -0.467 57.039 57.345 0.268 0.000 1.765 1148 W CB 0.300 29.866 29.460 0.177 0.000 1.085 1148 W HN 0.008 nan 8.180 nan 0.000 0.596 1149 M N 1.001 120.797 119.600 0.327 0.000 2.277 1149 M HA 0.100 4.663 4.480 0.138 0.000 0.350 1149 M C 1.040 177.008 176.300 -0.554 0.000 1.180 1149 M CA 0.081 55.420 55.300 0.065 0.000 1.103 1149 M CB 1.404 34.044 32.600 0.067 0.000 1.577 1149 M HN -0.267 nan 8.290 nan 0.000 0.459 1150 S N 2.074 117.262 115.700 -0.854 0.000 2.585 1150 S HA 0.251 4.804 4.470 0.138 0.000 0.273 1150 S C -2.126 171.864 174.600 -1.016 0.000 1.339 1150 S CA -1.154 56.146 58.200 -1.499 0.000 1.028 1150 S CB 0.421 63.209 63.200 -0.686 0.000 0.906 1150 S HN 0.460 nan 8.310 nan 0.000 0.528 1151 P HA -0.204 nan 4.420 nan 0.000 0.216 1151 P C 1.692 178.701 177.300 -0.485 0.000 1.150 1151 P CA 1.503 64.183 63.100 -0.699 0.000 0.843 1151 P CB -0.055 31.104 31.700 -0.902 0.000 0.787 1152 E N -0.319 119.597 120.200 -0.474 0.000 2.072 1152 E HA -0.115 4.318 4.350 0.138 0.000 0.191 1152 E C 1.691 178.103 176.600 -0.313 0.000 0.985 1152 E CA 1.567 57.782 56.400 -0.309 0.000 0.801 1152 E CB -1.255 28.310 29.700 -0.226 0.000 0.750 1152 E HN 0.142 nan 8.360 nan 0.000 0.452 1153 S N 1.098 116.550 115.700 -0.413 0.000 2.402 1153 S HA 0.026 4.579 4.470 0.138 0.000 0.229 1153 S C 2.112 176.464 174.600 -0.412 0.000 1.021 1153 S CA 0.795 58.653 58.200 -0.570 0.000 0.974 1153 S CB -0.209 62.477 63.200 -0.858 0.000 0.800 1153 S HN 0.205 nan 8.310 nan 0.000 0.484 1154 L N 0.699 121.737 121.223 -0.309 0.000 2.217 1154 L HA -0.008 4.415 4.340 0.138 0.000 0.211 1154 L C 2.374 179.156 176.870 -0.147 0.000 1.107 1154 L CA 0.998 55.723 54.840 -0.191 0.000 0.783 1154 L CB -0.223 41.723 42.059 -0.188 0.000 0.919 1154 L HN 0.203 nan 8.230 nan 0.000 0.442 1155 K N 0.270 120.569 120.400 -0.168 0.000 2.021 1155 K HA -0.112 4.291 4.320 0.138 0.000 0.205 1155 K C 1.324 177.862 176.600 -0.103 0.000 1.047 1155 K CA 1.730 57.948 56.287 -0.115 0.000 0.943 1155 K CB 0.038 32.475 32.500 -0.105 0.000 0.725 1155 K HN 0.400 nan 8.250 nan 0.000 0.439 1156 D N -2.230 118.090 120.400 -0.134 0.000 2.407 1156 D HA 0.118 4.841 4.640 0.138 0.000 0.208 1156 D C 0.830 177.056 176.300 -0.123 0.000 1.083 1156 D CA 0.359 54.295 54.000 -0.107 0.000 0.844 1156 D CB 0.693 41.439 40.800 -0.091 0.000 0.967 1156 D HN 0.234 nan 8.370 nan 0.000 0.506 1157 G N 0.029 108.706 108.800 -0.205 0.000 2.153 1157 G HA2 -0.247 3.796 3.960 0.138 0.000 0.252 1157 G HA3 -0.247 3.796 3.960 0.138 0.000 0.252 1157 G C 0.045 174.792 174.900 -0.255 0.000 0.994 1157 G CA 0.365 45.335 45.100 -0.217 0.000 0.698 1157 G HN 0.391 nan 8.290 nan 0.000 0.521 1158 V N 0.410 120.136 119.914 -0.313 0.000 2.439 1158 V HA 0.756 4.959 4.120 0.138 0.000 0.282 1158 V C 0.029 175.913 176.094 -0.349 0.000 1.039 1158 V CA -0.520 61.671 62.300 -0.181 0.000 0.913 1158 V CB 1.235 33.010 31.823 -0.081 0.000 0.983 1158 V HN 0.217 nan 8.190 nan 0.000 0.460 1159 F N 2.542 122.496 119.950 0.006 0.000 2.508 1159 F HA 0.751 5.359 4.527 0.134 0.000 0.325 1159 F C 0.529 176.331 175.800 0.003 0.000 1.090 1159 F CA -0.413 57.599 58.000 0.021 0.000 0.945 1159 F CB 2.359 41.384 39.000 0.042 0.000 1.156 1159 F HN 0.599 nan 8.300 nan 0.000 0.463 1160 T N -2.861 111.793 114.554 0.167 0.000 2.716 1160 T HA 0.215 4.648 4.350 0.138 0.000 0.286 1160 T C 0.653 175.367 174.700 0.025 0.000 1.052 1160 T CA -0.275 61.830 62.100 0.009 0.000 1.024 1160 T CB 1.339 70.116 68.868 -0.152 0.000 1.349 1160 T HN 0.501 nan 8.240 nan 0.000 0.525 1161 T N -0.713 113.769 114.554 -0.121 0.000 2.803 1161 T HA -0.103 4.330 4.350 0.138 0.000 0.269 1161 T C 1.290 176.022 174.700 0.053 0.000 1.052 1161 T CA 1.800 63.900 62.100 -0.000 0.000 1.136 1161 T CB -0.842 67.990 68.868 -0.060 0.000 0.864 1161 T HN 0.581 nan 8.240 nan 0.000 0.467 1162 Y N 1.766 122.112 120.300 0.076 0.000 2.242 1162 Y HA -0.024 4.609 4.550 0.137 0.000 0.291 1162 Y C 3.042 179.018 175.900 0.127 0.000 1.137 1162 Y CA 0.921 59.050 58.100 0.048 0.000 1.181 1162 Y CB -1.212 37.271 38.460 0.038 0.000 0.989 1162 Y HN 0.361 nan 8.280 nan 0.000 0.527 1163 S N -0.856 115.024 115.700 0.301 0.000 2.461 1163 S HA -0.110 4.443 4.470 0.138 0.000 0.228 1163 S C 1.441 176.293 174.600 0.419 0.000 1.005 1163 S CA 1.060 59.444 58.200 0.308 0.000 0.942 1163 S CB -0.276 63.049 63.200 0.209 0.000 0.776 1163 S HN 0.290 nan 8.310 nan 0.000 0.514 1164 D N 1.750 122.384 120.400 0.389 0.000 2.149 1164 D HA 0.012 4.735 4.640 0.138 0.000 0.201 1164 D C 2.082 178.711 176.300 0.549 0.000 0.972 1164 D CA 0.810 55.098 54.000 0.480 0.000 0.835 1164 D CB -0.415 40.698 40.800 0.523 0.000 0.966 1164 D HN 0.314 nan 8.370 nan 0.000 0.476 1165 V N 1.016 121.078 119.914 0.245 0.000 2.343 1165 V HA -0.197 4.006 4.120 0.138 0.000 0.247 1165 V C 2.184 178.458 176.094 0.299 0.000 1.051 1165 V CA 1.263 63.547 62.300 -0.026 0.000 1.036 1165 V CB -0.485 31.154 31.823 -0.306 0.000 0.654 1165 V HN 0.393 nan 8.190 nan 0.000 0.451 1166 W N 1.421 122.857 121.300 0.227 0.000 2.333 1166 W HA -0.217 4.524 4.660 0.134 0.000 0.316 1166 W C 2.474 179.248 176.519 0.424 0.000 1.215 1166 W CA 2.251 59.791 57.345 0.325 0.000 1.278 1166 W CB -0.657 28.956 29.460 0.255 0.000 1.154 1166 W HN 0.353 nan 8.180 nan 0.000 0.486 1167 S N 0.753 116.888 115.700 0.726 0.000 2.399 1167 S HA -0.220 4.332 4.470 0.138 0.000 0.231 1167 S C 1.551 176.457 174.600 0.511 0.000 1.022 1167 S CA 1.467 60.056 58.200 0.648 0.000 0.983 1167 S CB -1.076 62.487 63.200 0.605 0.000 0.803 1167 S HN 0.341 nan 8.310 nan 0.000 0.480 1168 F N 2.856 123.021 119.950 0.358 0.000 2.126 1168 F HA -0.041 4.569 4.527 0.138 0.000 0.299 1168 F C 2.285 178.178 175.800 0.156 0.000 1.096 1168 F CA 1.302 59.477 58.000 0.292 0.000 1.255 1168 F CB -0.978 38.284 39.000 0.436 0.000 0.997 1168 F HN 0.218 nan 8.300 nan 0.000 0.479 1169 G N -0.019 108.810 108.800 0.048 0.000 2.442 1169 G HA2 -0.220 3.823 3.960 0.138 0.000 0.219 1169 G HA3 -0.220 3.823 3.960 0.138 0.000 0.219 1169 G C 1.686 176.591 174.900 0.008 0.000 1.141 1169 G CA 1.272 46.175 45.100 -0.328 0.000 0.763 1169 G HN 0.363 nan 8.290 nan 0.000 0.554 1170 V N 0.692 120.795 119.914 0.314 0.000 2.343 1170 V HA -0.169 4.034 4.120 0.138 0.000 0.247 1170 V C 3.007 179.268 176.094 0.277 0.000 1.051 1170 V CA 1.459 63.928 62.300 0.282 0.000 1.036 1170 V CB -0.549 31.294 31.823 0.033 0.000 0.654 1170 V HN 0.252 nan 8.190 nan 0.000 0.451 1171 V N 0.057 120.092 119.914 0.202 0.000 2.407 1171 V HA -0.254 3.949 4.120 0.138 0.000 0.248 1171 V C 2.328 178.417 176.094 -0.008 0.000 1.055 1171 V CA 1.887 64.261 62.300 0.122 0.000 1.049 1171 V CB -0.656 31.189 31.823 0.036 0.000 0.662 1171 V HN 0.456 nan 8.190 nan 0.000 0.455 1172 L N -1.671 119.446 121.223 -0.177 0.000 2.093 1172 L HA -0.187 4.236 4.340 0.138 0.000 0.208 1172 L C 2.304 179.192 176.870 0.031 0.000 1.085 1172 L CA 1.997 56.737 54.840 -0.167 0.000 0.755 1172 L CB -0.517 41.366 42.059 -0.293 0.000 0.904 1172 L HN 0.507 nan 8.230 nan 0.000 0.435 1173 W N 1.313 122.592 121.300 -0.035 0.000 2.418 1173 W HA -0.138 4.603 4.660 0.135 0.000 0.292 1173 W C 2.398 178.923 176.519 0.010 0.000 1.213 1173 W CA 1.221 58.597 57.345 0.051 0.000 1.283 1173 W CB 0.127 29.700 29.460 0.188 0.000 1.119 1173 W HN 0.062 nan 8.180 nan 0.000 0.542 1174 E N 0.212 120.597 120.200 0.308 0.000 2.077 1174 E HA -0.242 4.191 4.350 0.138 0.000 0.193 1174 E C 2.079 178.668 176.600 -0.019 0.000 0.989 1174 E CA 1.743 58.241 56.400 0.165 0.000 0.800 1174 E CB -0.414 29.452 29.700 0.276 0.000 0.746 1174 E HN 0.366 nan 8.360 nan 0.000 0.452 1175 I N 0.902 121.467 120.570 -0.009 0.000 2.226 1175 I HA -0.263 3.990 4.170 0.138 0.000 0.245 1175 I C 2.463 178.517 176.117 -0.106 0.000 1.100 1175 I CA 1.048 62.325 61.300 -0.037 0.000 1.374 1175 I CB -0.198 37.788 38.000 -0.023 0.000 1.057 1175 I HN 0.075 nan 8.210 nan 0.000 0.413 1176 A N 0.164 122.888 122.820 -0.159 0.000 2.014 1176 A HA -0.147 4.256 4.320 0.138 0.000 0.218 1176 A C 2.214 179.600 177.584 -0.330 0.000 1.163 1176 A CA 1.938 53.844 52.037 -0.218 0.000 0.652 1176 A CB -0.836 18.041 19.000 -0.205 0.000 0.808 1176 A HN 0.508 nan 8.150 nan 0.000 0.449 1177 T N -3.436 110.832 114.554 -0.476 0.000 3.069 1177 T HA 0.428 4.861 4.350 0.138 0.000 0.252 1177 T C 0.504 175.018 174.700 -0.310 0.000 1.053 1177 T CA 0.196 61.970 62.100 -0.542 0.000 0.964 1177 T CB -0.520 67.710 68.868 -1.063 0.000 1.005 1177 T HN 0.526 nan 8.240 nan 0.000 0.532 1178 L N 0.483 121.579 121.223 -0.211 0.000 3.597 1178 L HA -0.239 4.184 4.340 0.138 0.000 0.440 1178 L C 0.874 177.688 176.870 -0.094 0.000 1.277 1178 L CA 0.113 54.872 54.840 -0.134 0.000 0.852 1178 L CB -2.389 39.593 42.059 -0.128 0.000 1.708 1178 L HN 0.743 nan 8.230 nan 0.000 0.885 1179 A N -0.931 121.846 122.820 -0.071 0.000 2.800 1179 A HA -0.199 4.204 4.320 0.138 0.000 0.292 1179 A C 0.728 178.336 177.584 0.041 0.000 1.474 1179 A CA 1.536 53.581 52.037 0.014 0.000 0.744 1179 A CB -1.268 17.738 19.000 0.011 0.000 1.044 1179 A HN 0.685 nan 8.150 nan 0.000 0.489 1180 E N 0.122 120.320 120.200 -0.004 0.000 2.392 1180 E HA 0.242 4.675 4.350 0.138 0.000 0.256 1180 E C 0.359 177.106 176.600 0.244 0.000 1.145 1180 E CA -0.510 55.932 56.400 0.069 0.000 0.929 1180 E CB 0.258 29.945 29.700 -0.021 0.000 0.998 1180 E HN 0.520 nan 8.360 nan 0.000 0.442 1181 Q N 1.857 121.778 119.800 0.202 0.000 2.293 1181 Q HA 0.184 4.607 4.340 0.138 0.000 0.263 1181 Q C -2.238 173.811 176.000 0.082 0.000 1.002 1181 Q CA -1.827 54.075 55.803 0.166 0.000 0.910 1181 Q CB 0.411 29.224 28.738 0.125 0.000 1.185 1181 Q HN 0.200 nan 8.270 nan 0.000 0.401 1182 P HA -0.023 nan 4.420 nan 0.000 0.268 1182 P C -1.013 176.004 177.300 -0.471 0.000 1.204 1182 P CA 0.023 62.650 63.100 -0.788 0.000 0.768 1182 P CB 0.168 31.206 31.700 -1.104 0.000 0.842 1183 Y N -0.356 119.695 120.300 -0.414 0.000 3.477 1183 Y HA -0.271 4.359 4.550 0.133 0.000 0.216 1183 Y C 1.851 177.638 175.900 -0.188 0.000 1.296 1183 Y CA 0.574 58.495 58.100 -0.299 0.000 1.535 1183 Y CB -2.921 35.362 38.460 -0.295 0.000 1.482 1183 Y HN 0.465 nan 8.280 nan 0.000 0.597 1184 Q N 0.675 120.455 119.800 -0.034 0.000 2.082 1184 Q HA -0.239 4.183 4.340 0.138 0.000 0.211 1184 Q C 2.352 178.342 176.000 -0.017 0.000 1.002 1184 Q CA 2.145 57.952 55.803 0.006 0.000 0.868 1184 Q CB -0.474 28.289 28.738 0.041 0.000 0.931 1184 Q HN 0.812 nan 8.270 nan 0.000 0.414 1185 G N -0.210 108.564 108.800 -0.044 0.000 2.776 1185 G HA2 0.073 4.116 3.960 0.138 0.000 0.209 1185 G HA3 0.073 4.116 3.960 0.138 0.000 0.209 1185 G C 0.391 175.242 174.900 -0.082 0.000 1.145 1185 G CA 0.025 45.089 45.100 -0.060 0.000 0.791 1185 G HN 0.127 nan 8.290 nan 0.000 0.530 1186 L N 1.069 122.237 121.223 -0.091 0.000 2.334 1186 L HA 0.439 4.862 4.340 0.138 0.000 0.273 1186 L C 0.642 177.455 176.870 -0.095 0.000 1.013 1186 L CA -0.905 53.866 54.840 -0.115 0.000 0.816 1186 L CB 1.949 43.903 42.059 -0.175 0.000 1.278 1186 L HN 0.102 nan 8.230 nan 0.000 0.431 1187 S N 0.320 115.958 115.700 -0.104 0.000 2.624 1187 S HA 0.148 4.701 4.470 0.138 0.000 0.263 1187 S C 0.831 175.317 174.600 -0.189 0.000 1.287 1187 S CA -0.645 57.484 58.200 -0.119 0.000 0.990 1187 S CB 0.862 64.001 63.200 -0.101 0.000 0.950 1187 S HN 0.614 nan 8.310 nan 0.000 0.561 1188 N N 1.314 119.834 118.700 -0.299 0.000 2.149 1188 N HA -0.116 4.707 4.740 0.138 0.000 0.188 1188 N C 1.529 176.767 175.510 -0.453 0.000 1.019 1188 N CA 1.284 54.029 53.050 -0.509 0.000 0.857 1188 N CB -0.482 37.372 38.487 -1.055 0.000 0.997 1188 N HN 0.645 nan 8.380 nan 0.000 0.426 1189 E N 1.157 121.158 120.200 -0.330 0.000 2.106 1189 E HA -0.114 4.319 4.350 0.138 0.000 0.192 1189 E C 1.908 178.450 176.600 -0.096 0.000 0.984 1189 E CA 0.723 57.041 56.400 -0.137 0.000 0.806 1189 E CB -0.158 29.512 29.700 -0.050 0.000 0.750 1189 E HN 0.534 nan 8.360 nan 0.000 0.458 1190 Q N 0.210 119.944 119.800 -0.110 0.000 2.119 1190 Q HA -0.086 4.337 4.340 0.138 0.000 0.201 1190 Q C 2.369 178.313 176.000 -0.094 0.000 0.972 1190 Q CA 1.026 56.777 55.803 -0.086 0.000 0.847 1190 Q CB 0.013 28.689 28.738 -0.103 0.000 0.903 1190 Q HN 0.083 nan 8.270 nan 0.000 0.433 1191 V N 0.909 120.721 119.914 -0.170 0.000 2.255 1191 V HA -0.293 3.910 4.120 0.138 0.000 0.247 1191 V C 2.160 178.129 176.094 -0.208 0.000 1.051 1191 V CA 1.541 63.678 62.300 -0.272 0.000 1.018 1191 V CB -0.532 31.099 31.823 -0.319 0.000 0.641 1191 V HN 0.271 nan 8.190 nan 0.000 0.445 1192 L N -0.443 120.696 121.223 -0.141 0.000 1.990 1192 L HA -0.224 4.199 4.340 0.138 0.000 0.213 1192 L C 2.582 179.407 176.870 -0.074 0.000 1.072 1192 L CA 2.141 56.925 54.840 -0.093 0.000 0.755 1192 L CB -0.854 41.188 42.059 -0.030 0.000 0.889 1192 L HN 0.220 nan 8.230 nan 0.000 0.432 1193 R N -1.997 118.482 120.500 -0.036 0.000 2.066 1193 R HA -0.161 4.262 4.340 0.138 0.000 0.232 1193 R C 2.218 178.525 176.300 0.012 0.000 1.131 1193 R CA 1.498 57.593 56.100 -0.008 0.000 0.955 1193 R CB -0.616 29.691 30.300 0.011 0.000 0.851 1193 R HN 0.224 nan 8.270 nan 0.000 0.432 1194 F N 0.643 120.513 119.950 -0.134 0.000 2.095 1194 F HA -0.220 4.389 4.527 0.137 0.000 0.298 1194 F C 1.885 177.609 175.800 -0.127 0.000 1.104 1194 F CA 1.405 59.327 58.000 -0.128 0.000 1.232 1194 F CB -0.247 38.658 39.000 -0.160 0.000 0.987 1194 F HN -0.240 nan 8.300 nan 0.000 0.475 1195 V N 0.540 120.337 119.914 -0.195 0.000 2.323 1195 V HA -0.323 3.880 4.120 0.138 0.000 0.244 1195 V C 2.442 178.436 176.094 -0.167 0.000 1.041 1195 V CA 2.142 64.291 62.300 -0.251 0.000 1.025 1195 V CB -0.597 31.047 31.823 -0.297 0.000 0.656 1195 V HN 0.360 nan 8.190 nan 0.000 0.451 1196 M N -0.554 118.968 119.600 -0.131 0.000 2.267 1196 M HA -0.135 4.428 4.480 0.138 0.000 0.263 1196 M C 1.584 177.930 176.300 0.077 0.000 1.063 1196 M CA 1.356 56.633 55.300 -0.039 0.000 1.090 1196 M CB -0.308 32.259 32.600 -0.055 0.000 1.392 1196 M HN 0.255 nan 8.290 nan 0.000 0.422 1197 E N -0.169 120.016 120.200 -0.026 0.000 2.403 1197 E HA 0.142 4.575 4.350 0.138 0.000 0.188 1197 E C 1.158 177.685 176.600 -0.123 0.000 1.056 1197 E CA 0.364 56.722 56.400 -0.070 0.000 0.892 1197 E CB -0.048 29.605 29.700 -0.077 0.000 1.049 1197 E HN 0.617 nan 8.360 nan 0.000 0.465 1198 G N 0.632 109.420 108.800 -0.020 0.000 2.157 1198 G HA2 -0.238 3.805 3.960 0.138 0.000 0.248 1198 G HA3 -0.238 3.805 3.960 0.138 0.000 0.248 1198 G C 0.676 175.459 174.900 -0.195 0.000 0.979 1198 G CA -0.033 45.058 45.100 -0.016 0.000 0.650 1198 G HN 0.500 nan 8.290 nan 0.000 0.529 1199 G N -0.552 107.907 108.800 -0.568 0.000 2.527 1199 G HA2 0.623 4.666 3.960 0.138 0.000 0.248 1199 G HA3 0.623 4.666 3.960 0.138 0.000 0.248 1199 G C -0.048 174.515 174.900 -0.560 0.000 1.231 1199 G CA -0.141 44.248 45.100 -1.187 0.000 0.838 1199 G HN 0.793 nan 8.290 nan 0.000 0.570 1200 L N 0.087 121.194 121.223 -0.194 0.000 2.359 1200 L HA 0.442 4.865 4.340 0.138 0.000 0.256 1200 L C -0.087 176.811 176.870 0.047 0.000 1.026 1200 L CA -1.020 53.791 54.840 -0.050 0.000 0.828 1200 L CB 2.062 44.110 42.059 -0.018 0.000 1.406 1200 L HN 0.306 nan 8.230 nan 0.000 0.413 1201 L N 1.098 122.049 121.223 -0.453 0.000 2.426 1201 L HA 0.141 4.564 4.340 0.138 0.000 0.271 1201 L C -0.207 176.696 176.870 0.055 0.000 1.169 1201 L CA -0.263 54.251 54.840 -0.543 0.000 0.836 1201 L CB 0.275 41.495 42.059 -1.399 0.000 1.112 1201 L HN 0.482 nan 8.230 nan 0.000 0.465 1202 D N 1.938 122.430 120.400 0.152 0.000 2.368 1202 D HA 0.030 4.753 4.640 0.138 0.000 0.240 1202 D C 0.118 176.556 176.300 0.229 0.000 1.169 1202 D CA -0.148 53.969 54.000 0.195 0.000 0.906 1202 D CB 0.664 41.534 40.800 0.116 0.000 1.187 1202 D HN 0.282 nan 8.370 nan 0.000 0.435 1203 K N 2.021 122.240 120.400 -0.302 0.000 2.412 1203 K HA 0.137 4.540 4.320 0.138 0.000 0.284 1203 K C -2.345 174.097 176.600 -0.264 0.000 1.046 1203 K CA -1.100 54.712 56.287 -0.792 0.000 0.999 1203 K CB 0.268 31.953 32.500 -1.358 0.000 0.941 1203 K HN 0.067 nan 8.250 nan 0.000 0.474 1204 P HA -0.021 nan 4.420 nan 0.000 0.267 1204 P C -1.045 176.137 177.300 -0.197 0.000 1.200 1204 P CA -0.107 62.852 63.100 -0.235 0.000 0.772 1204 P CB 0.432 31.897 31.700 -0.393 0.000 0.855 1205 D N 2.596 122.896 120.400 -0.167 0.000 2.488 1205 D HA -0.039 4.684 4.640 0.138 0.000 0.238 1205 D C 0.815 177.038 176.300 -0.128 0.000 1.138 1205 D CA 0.661 54.582 54.000 -0.131 0.000 0.873 1205 D CB -0.168 40.568 40.800 -0.107 0.000 1.183 1205 D HN 0.378 nan 8.370 nan 0.000 0.458 1206 N N -0.531 118.105 118.700 -0.106 0.000 2.800 1206 N HA -0.216 4.607 4.740 0.138 0.000 0.250 1206 N C -0.121 175.336 175.510 -0.089 0.000 1.078 1206 N CA 0.410 53.407 53.050 -0.089 0.000 0.804 1206 N CB -1.939 36.500 38.487 -0.081 0.000 1.135 1206 N HN 0.442 nan 8.380 nan 0.000 0.565 1207 C N 2.589 121.826 119.300 -0.105 0.000 2.464 1207 C HA 0.355 4.898 4.460 0.138 0.000 0.370 1207 C C -1.744 173.219 174.990 -0.045 0.000 1.267 1207 C CA -1.496 57.472 59.018 -0.083 0.000 1.781 1207 C CB -0.415 27.267 27.740 -0.096 0.000 2.431 1207 C HN 0.168 nan 8.230 nan 0.000 0.556 1208 P HA 0.101 nan 4.420 nan 0.000 0.265 1208 P C 0.356 177.678 177.300 0.036 0.000 1.193 1208 P CA 0.437 63.534 63.100 -0.005 0.000 0.765 1208 P CB 0.557 32.251 31.700 -0.011 0.000 0.823 1209 D N 1.816 122.243 120.400 0.045 0.000 2.158 1209 D HA -0.202 4.521 4.640 0.138 0.000 0.197 1209 D C 1.682 178.040 176.300 0.095 0.000 0.995 1209 D CA 1.189 55.249 54.000 0.099 0.000 0.846 1209 D CB -0.408 40.433 40.800 0.067 0.000 0.941 1209 D HN 0.354 nan 8.370 nan 0.000 0.456 1210 M N 0.065 119.690 119.600 0.042 0.000 2.080 1210 M HA -0.163 4.400 4.480 0.138 0.000 0.260 1210 M C 1.936 178.237 176.300 0.002 0.000 1.068 1210 M CA 1.317 56.625 55.300 0.012 0.000 1.109 1210 M CB -0.397 32.202 32.600 -0.001 0.000 1.342 1210 M HN 0.155 nan 8.290 nan 0.000 0.405 1211 L N -0.019 121.214 121.223 0.017 0.000 2.131 1211 L HA -0.098 4.325 4.340 0.138 0.000 0.206 1211 L C 2.159 179.031 176.870 0.004 0.000 1.087 1211 L CA 1.463 56.302 54.840 -0.002 0.000 0.767 1211 L CB -1.000 41.057 42.059 -0.003 0.000 0.917 1211 L HN 0.290 nan 8.230 nan 0.000 0.441 1212 F N 0.530 120.430 119.950 -0.084 0.000 2.186 1212 F HA -0.173 4.436 4.527 0.136 0.000 0.299 1212 F C 2.488 178.215 175.800 -0.123 0.000 1.090 1212 F CA 1.820 59.769 58.000 -0.085 0.000 1.307 1212 F CB -0.220 38.772 39.000 -0.013 0.000 1.019 1212 F HN 0.302 nan 8.300 nan 0.000 0.489 1213 E N -0.089 120.033 120.200 -0.130 0.000 2.077 1213 E HA -0.244 4.189 4.350 0.138 0.000 0.193 1213 E C 2.216 178.653 176.600 -0.270 0.000 0.989 1213 E CA 1.244 57.528 56.400 -0.194 0.000 0.800 1213 E CB -0.317 29.342 29.700 -0.069 0.000 0.746 1213 E HN 0.405 nan 8.360 nan 0.000 0.452 1214 L N 0.700 121.787 121.223 -0.226 0.000 2.017 1214 L HA -0.161 4.262 4.340 0.138 0.000 0.208 1214 L C 2.300 178.921 176.870 -0.416 0.000 1.073 1214 L CA 1.694 56.403 54.840 -0.219 0.000 0.745 1214 L CB -0.401 41.591 42.059 -0.112 0.000 0.894 1214 L HN 0.230 nan 8.230 nan 0.000 0.432 1215 M N -1.169 118.052 119.600 -0.633 0.000 2.065 1215 M HA -0.240 4.322 4.480 0.138 0.000 0.259 1215 M C 2.376 177.786 176.300 -1.482 0.000 1.069 1215 M CA 1.766 56.307 55.300 -1.265 0.000 1.110 1215 M CB -0.496 31.275 32.600 -1.381 0.000 1.328 1215 M HN 0.177 nan 8.290 nan 0.000 0.405 1216 R N -0.085 119.808 120.500 -1.011 0.000 2.105 1216 R HA -0.137 4.286 4.340 0.138 0.000 0.239 1216 R C 2.087 178.182 176.300 -0.342 0.000 1.135 1216 R CA 1.561 57.327 56.100 -0.556 0.000 0.967 1216 R CB -0.472 29.535 30.300 -0.488 0.000 0.861 1216 R HN 0.470 nan 8.270 nan 0.000 0.442 1217 M N -0.415 118.982 119.600 -0.338 0.000 2.117 1217 M HA -0.191 4.372 4.480 0.138 0.000 0.262 1217 M C 2.500 178.683 176.300 -0.195 0.000 1.065 1217 M CA 1.427 56.605 55.300 -0.203 0.000 1.114 1217 M CB -0.246 32.252 32.600 -0.170 0.000 1.361 1217 M HN 0.216 nan 8.290 nan 0.000 0.408 1218 C N -0.979 118.121 119.300 -0.334 0.000 2.422 1218 C HA -0.143 4.399 4.460 0.138 0.000 0.279 1218 C C 1.626 176.520 174.990 -0.160 0.000 1.305 1218 C CA 0.252 59.106 59.018 -0.274 0.000 1.757 1218 C CB -1.107 26.401 27.740 -0.387 0.000 1.962 1218 C HN 0.653 nan 8.230 nan 0.000 0.499 1219 W N 0.828 121.922 121.300 -0.344 0.000 3.305 1219 W HA 0.293 5.037 4.660 0.140 0.000 0.392 1219 W C 0.598 177.093 176.519 -0.041 0.000 1.121 1219 W CA -0.593 56.425 57.345 -0.546 0.000 1.909 1219 W CB -1.172 27.812 29.460 -0.794 0.000 1.065 1219 W HN 0.391 nan 8.180 nan 0.000 0.714 1220 Q N 0.255 120.180 119.800 0.207 0.000 2.311 1220 Q HA -0.105 4.318 4.340 0.138 0.000 0.272 1220 Q C 1.010 177.186 176.000 0.294 0.000 1.012 1220 Q CA 0.204 56.124 55.803 0.195 0.000 0.891 1220 Q CB 0.874 29.665 28.738 0.088 0.000 1.201 1220 Q HN 0.305 nan 8.270 nan 0.000 0.391 1221 Y N 2.928 123.333 120.300 0.175 0.000 2.207 1221 Y HA -0.211 4.422 4.550 0.139 0.000 0.287 1221 Y C 0.972 176.912 175.900 0.067 0.000 1.156 1221 Y CA 1.390 59.572 58.100 0.136 0.000 1.182 1221 Y CB 0.341 38.835 38.460 0.057 0.000 0.979 1221 Y HN 0.558 nan 8.280 nan 0.000 0.521 1222 N N 0.710 119.521 118.700 0.185 0.000 2.430 1222 N HA 0.064 4.887 4.740 0.138 0.000 0.265 1222 N C -2.121 173.378 175.510 -0.018 0.000 1.100 1222 N CA -1.912 51.181 53.050 0.072 0.000 0.961 1222 N CB 1.414 39.933 38.487 0.053 0.000 1.075 1222 N HN -0.005 nan 8.380 nan 0.000 0.478 1223 P HA -0.091 nan 4.420 nan 0.000 0.216 1223 P C 0.640 177.684 177.300 -0.427 0.000 1.150 1223 P CA 1.533 64.548 63.100 -0.142 0.000 0.837 1223 P CB 0.375 32.046 31.700 -0.049 0.000 0.786 1224 K N -1.349 118.790 120.400 -0.435 0.000 2.283 1224 K HA 0.001 4.404 4.320 0.138 0.000 0.202 1224 K C 1.799 178.250 176.600 -0.248 0.000 1.048 1224 K CA 1.024 57.038 56.287 -0.456 0.000 0.948 1224 K CB -0.317 32.020 32.500 -0.271 0.000 0.742 1224 K HN 0.075 nan 8.250 nan 0.000 0.458 1225 M N 0.535 120.047 119.600 -0.148 0.000 2.558 1225 M HA 0.028 4.590 4.480 0.138 0.000 0.255 1225 M C 0.123 176.383 176.300 -0.067 0.000 1.113 1225 M CA 0.743 55.997 55.300 -0.077 0.000 1.097 1225 M CB -0.256 32.328 32.600 -0.026 0.000 1.426 1225 M HN -0.046 nan 8.290 nan 0.000 0.488 1226 R N 1.838 122.289 120.500 -0.082 0.000 2.490 1226 R HA 0.225 4.648 4.340 0.138 0.000 0.280 1226 R C -2.067 174.186 176.300 -0.078 0.000 1.077 1226 R CA -1.385 54.681 56.100 -0.056 0.000 1.065 1226 R CB -0.128 30.171 30.300 -0.001 0.000 1.003 1226 R HN 0.064 nan 8.270 nan 0.000 0.470 1227 P HA -0.023 nan 4.420 nan 0.000 0.272 1227 P C -0.384 176.844 177.300 -0.120 0.000 1.230 1227 P CA -0.290 62.761 63.100 -0.082 0.000 0.788 1227 P CB 0.866 32.517 31.700 -0.083 0.000 0.949 1228 S N 0.328 115.986 115.700 -0.070 0.000 2.634 1228 S HA 0.210 4.763 4.470 0.138 0.000 0.261 1228 S C 1.041 175.543 174.600 -0.163 0.000 1.271 1228 S CA -0.293 57.857 58.200 -0.082 0.000 0.985 1228 S CB -0.181 63.053 63.200 0.056 0.000 0.968 1228 S HN 0.241 nan 8.310 nan 0.000 0.568 1229 F N 0.033 119.991 119.950 0.013 0.000 2.259 1229 F HA 0.153 4.762 4.527 0.136 0.000 0.298 1229 F C 2.038 177.871 175.800 0.055 0.000 1.088 1229 F CA 0.568 58.532 58.000 -0.061 0.000 1.358 1229 F CB -0.713 38.251 39.000 -0.060 0.000 1.040 1229 F HN 0.409 nan 8.300 nan 0.000 0.505 1230 L N -0.268 121.139 121.223 0.306 0.000 2.046 1230 L HA -0.226 4.197 4.340 0.138 0.000 0.208 1230 L C 2.502 179.545 176.870 0.288 0.000 1.077 1230 L CA 1.690 56.745 54.840 0.359 0.000 0.747 1230 L CB -0.584 41.630 42.059 0.257 0.000 0.896 1230 L HN 0.161 nan 8.230 nan 0.000 0.432 1231 E N 0.558 120.847 120.200 0.148 0.000 2.110 1231 E HA -0.222 4.211 4.350 0.138 0.000 0.193 1231 E C 2.280 178.900 176.600 0.034 0.000 0.988 1231 E CA 1.043 57.490 56.400 0.079 0.000 0.804 1231 E CB 0.021 29.740 29.700 0.032 0.000 0.745 1231 E HN 0.438 nan 8.360 nan 0.000 0.458 1232 I N 0.592 121.165 120.570 0.005 0.000 2.179 1232 I HA -0.283 3.970 4.170 0.138 0.000 0.242 1232 I C 2.218 178.316 176.117 -0.032 0.000 1.088 1232 I CA 0.972 62.256 61.300 -0.027 0.000 1.357 1232 I CB -0.165 37.776 38.000 -0.099 0.000 1.051 1232 I HN 0.184 nan 8.210 nan 0.000 0.409 1233 I N -0.291 120.259 120.570 -0.032 0.000 2.179 1233 I HA -0.319 3.934 4.170 0.138 0.000 0.242 1233 I C 2.751 178.688 176.117 -0.299 0.000 1.088 1233 I CA 1.397 62.584 61.300 -0.188 0.000 1.357 1233 I CB -0.533 37.328 38.000 -0.232 0.000 1.051 1233 I HN 0.170 nan 8.210 nan 0.000 0.409 1234 S N 0.637 116.230 115.700 -0.177 0.000 2.374 1234 S HA -0.241 4.312 4.470 0.138 0.000 0.227 1234 S C 2.238 176.814 174.600 -0.041 0.000 1.037 1234 S CA 2.113 60.281 58.200 -0.053 0.000 1.024 1234 S CB -0.430 62.841 63.200 0.118 0.000 0.861 1234 S HN 0.633 nan 8.310 nan 0.000 0.456 1235 S N 1.060 116.738 115.700 -0.037 0.000 2.481 1235 S HA 0.023 4.576 4.470 0.138 0.000 0.231 1235 S C 1.576 176.149 174.600 -0.046 0.000 0.996 1235 S CA 0.859 59.041 58.200 -0.029 0.000 0.942 1235 S CB -0.681 62.505 63.200 -0.023 0.000 0.768 1235 S HN 0.839 nan 8.310 nan 0.000 0.520 1236 I N -1.770 118.751 120.570 -0.082 0.000 4.240 1236 I HA 0.361 4.614 4.170 0.138 0.000 0.331 1236 I C 1.681 177.713 176.117 -0.141 0.000 1.381 1236 I CA -0.430 60.810 61.300 -0.101 0.000 1.136 1236 I CB 0.054 37.994 38.000 -0.100 0.000 1.137 1236 I HN 0.119 nan 8.210 nan 0.000 0.411 1237 K N 1.695 122.014 120.400 -0.135 0.000 2.113 1237 K HA -0.199 4.204 4.320 0.138 0.000 0.208 1237 K C 1.251 177.844 176.600 -0.012 0.000 1.047 1237 K CA 2.179 58.420 56.287 -0.076 0.000 0.928 1237 K CB -0.426 32.087 32.500 0.022 0.000 0.716 1237 K HN 0.313 nan 8.250 nan 0.000 0.446 1238 E N 0.843 121.040 120.200 -0.005 0.000 2.204 1238 E HA -0.126 4.307 4.350 0.138 0.000 0.195 1238 E C 1.733 178.318 176.600 -0.025 0.000 0.990 1238 E CA 1.131 57.533 56.400 0.004 0.000 0.821 1238 E CB 0.029 29.732 29.700 0.005 0.000 0.750 1238 E HN 0.373 nan 8.360 nan 0.000 0.477 1239 E N -0.554 119.611 120.200 -0.060 0.000 2.385 1239 E HA 0.040 4.473 4.350 0.138 0.000 0.194 1239 E C 0.275 176.816 176.600 -0.098 0.000 1.013 1239 E CA 0.225 56.582 56.400 -0.071 0.000 0.866 1239 E CB 0.088 29.744 29.700 -0.073 0.000 0.832 1239 E HN 0.225 nan 8.360 nan 0.000 0.500 1240 M N 1.453 120.961 119.600 -0.154 0.000 2.243 1240 M HA 0.068 4.631 4.480 0.138 0.000 0.341 1240 M C 0.658 176.919 176.300 -0.065 0.000 1.130 1240 M CA -0.174 55.005 55.300 -0.201 0.000 1.162 1240 M CB 0.165 32.484 32.600 -0.469 0.000 1.497 1240 M HN -0.180 nan 8.290 nan 0.000 0.456 1241 E N 2.995 123.187 120.200 -0.014 0.000 2.481 1241 E HA -0.037 4.396 4.350 0.138 0.000 0.263 1241 E C -1.488 175.141 176.600 0.049 0.000 0.992 1241 E CA -1.030 55.388 56.400 0.030 0.000 0.938 1241 E CB 0.011 29.747 29.700 0.061 0.000 0.933 1241 E HN 0.365 nan 8.360 nan 0.000 0.453 1242 P HA -0.163 nan 4.420 nan 0.000 0.218 1242 P C 1.196 178.493 177.300 -0.006 0.000 1.146 1242 P CA 1.582 64.682 63.100 0.001 0.000 0.820 1242 P CB 0.189 31.885 31.700 -0.006 0.000 0.778 1243 G N -1.462 107.352 108.800 0.023 0.000 2.470 1243 G HA2 -0.270 3.773 3.960 0.138 0.000 0.220 1243 G HA3 -0.270 3.773 3.960 0.138 0.000 0.220 1243 G C 1.294 176.205 174.900 0.018 0.000 1.121 1243 G CA -0.006 45.096 45.100 0.004 0.000 0.766 1243 G HN 0.205 nan 8.290 nan 0.000 0.553 1244 F N 2.302 122.218 119.950 -0.058 0.000 2.161 1244 F HA -0.119 4.490 4.527 0.137 0.000 0.300 1244 F C 2.723 178.440 175.800 -0.139 0.000 1.089 1244 F CA 1.446 59.438 58.000 -0.014 0.000 1.282 1244 F CB 0.077 39.086 39.000 0.014 0.000 1.010 1244 F HN 0.087 nan 8.300 nan 0.000 0.485 1245 R N 0.251 120.567 120.500 -0.307 0.000 2.328 1245 R HA -0.090 4.333 4.340 0.138 0.000 0.207 1245 R C 1.248 177.351 176.300 -0.329 0.000 1.056 1245 R CA 1.431 57.088 56.100 -0.739 0.000 1.016 1245 R CB -0.536 29.286 30.300 -0.796 0.000 0.872 1245 R HN 0.490 nan 8.270 nan 0.000 0.471 1246 E N 0.381 120.456 120.200 -0.208 0.000 2.399 1246 E HA -0.022 4.411 4.350 0.138 0.000 0.205 1246 E C 1.695 178.200 176.600 -0.159 0.000 0.906 1246 E CA 0.503 56.819 56.400 -0.139 0.000 0.998 1246 E CB 0.617 30.249 29.700 -0.112 0.000 1.002 1246 E HN 0.234 nan 8.360 nan 0.000 0.501 1247 V N -0.784 118.992 119.914 -0.230 0.000 3.621 1247 V HA 0.153 4.356 4.120 0.138 0.000 0.263 1247 V C 0.985 176.940 176.094 -0.231 0.000 1.272 1247 V CA -0.082 62.027 62.300 -0.317 0.000 1.080 1247 V CB 0.257 31.673 31.823 -0.677 0.000 0.816 1247 V HN 0.100 nan 8.190 nan 0.000 0.451 1248 S N 0.142 115.692 115.700 -0.250 0.000 2.593 1248 S HA 0.294 4.847 4.470 0.138 0.000 0.269 1248 S C 0.678 175.308 174.600 0.050 0.000 1.334 1248 S CA 0.197 58.287 58.200 -0.183 0.000 1.015 1248 S CB 0.762 63.444 63.200 -0.864 0.000 0.912 1248 S HN 0.477 nan 8.310 nan 0.000 0.541 1249 F N 1.861 121.870 119.950 0.098 0.000 2.146 1249 F HA -0.056 4.554 4.527 0.139 0.000 0.298 1249 F C 1.984 177.885 175.800 0.167 0.000 1.096 1249 F CA 1.251 59.355 58.000 0.174 0.000 1.275 1249 F CB -0.843 38.339 39.000 0.304 0.000 1.008 1249 F HN 0.805 nan 8.300 nan 0.000 0.480 1250 Y N -0.128 120.095 120.300 -0.127 0.000 2.102 1250 Y HA -0.343 4.289 4.550 0.138 0.000 0.280 1250 Y C 1.650 177.339 175.900 -0.351 0.000 1.178 1250 Y CA 2.382 60.346 58.100 -0.227 0.000 1.146 1250 Y CB -0.836 37.676 38.460 0.088 0.000 0.968 1250 Y HN 0.185 nan 8.280 nan 0.000 0.504 1251 Y N -0.056 120.210 120.300 -0.055 0.000 2.466 1251 Y HA 0.131 4.764 4.550 0.138 0.000 0.272 1251 Y C 1.237 177.052 175.900 -0.142 0.000 1.169 1251 Y CA 0.031 58.090 58.100 -0.069 0.000 1.285 1251 Y CB -0.128 38.335 38.460 0.006 0.000 1.078 1251 Y HN 0.011 nan 8.280 nan 0.000 0.523 1252 S N -0.556 115.077 115.700 -0.111 0.000 2.617 1252 S HA 0.020 4.573 4.470 0.138 0.000 0.269 1252 S C 1.304 175.826 174.600 -0.130 0.000 1.292 1252 S CA -0.632 57.518 58.200 -0.083 0.000 1.010 1252 S CB 1.477 64.662 63.200 -0.025 0.000 0.944 1252 S HN 0.475 nan 8.310 nan 0.000 0.536 1253 E N 0.710 120.881 120.200 -0.047 0.000 2.160 1253 E HA -0.249 4.184 4.350 0.138 0.000 0.195 1253 E C 1.655 178.237 176.600 -0.030 0.000 0.991 1253 E CA 1.349 57.727 56.400 -0.036 0.000 0.810 1253 E CB -0.151 29.551 29.700 0.003 0.000 0.742 1253 E HN 0.901 nan 8.360 nan 0.000 0.466 1254 E N 0.618 120.829 120.200 0.018 0.000 2.204 1254 E HA -0.172 4.261 4.350 0.138 0.000 0.195 1254 E C 0.479 177.110 176.600 0.051 0.000 0.990 1254 E CA 0.218 56.691 56.400 0.121 0.000 0.821 1254 E CB -0.041 29.856 29.700 0.329 0.000 0.750 1254 E HN 0.039 nan 8.360 nan 0.000 0.477 1255 N N 1.121 119.631 118.700 -0.317 0.000 2.466 1255 N HA 0.068 4.891 4.740 0.138 0.000 0.263 1255 N C -0.779 174.594 175.510 -0.228 0.000 1.178 1255 N CA 1.053 53.801 53.050 -0.503 0.000 0.983 1255 N CB -0.258 37.642 38.487 -0.978 0.000 1.331 1255 N HN 0.289 nan 8.380 nan 0.000 0.500 1256 K N 0.000 120.359 120.400 -0.069 0.000 2.780 1256 K HA 0.000 4.403 4.320 0.138 0.000 0.191 1256 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 1256 K CB 0.000 32.460 32.500 -0.066 0.000 1.064 1256 K HN 0.000 nan 8.250 nan 0.000 0.543