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 3mv2_1_C DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE ETAIWIKNSK LPAVLVAAGA FDAAVQALSK QVGVVKLEPL KKYFTNIYEG DATA SEQUENCE CRTYIPSTPC ELPAQLGYVR AYDDTVSEDQ ILPYVPGLDV VNEKMNEGYK DATA SEQUENCE NFKLNKPDIA IECFREAIYR ITLLMVDDAE DEKLAHKILE TAREYILGLS DATA SEQUENCE IELERRSLKE GNTVRMLELA AYFTKAKLSP IHRTNALQVA MSQHFKHKNF DATA SEQUENCE LQASYFAGEF LKIISSGPRA EQARKIKNKA DSMASDAIPI DFDPYAKFDI DATA SEQUENCE CAATYKPIYE DTPSVSDPLT GSKYVITEKD KIDRIAMISK IGAPASGLRI DATA SEQUENCE RV 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.115 176.300 -0.308 0.000 1.140 0 M CA 0.000 55.198 55.300 -0.170 0.000 0.988 0 M CB 0.000 32.530 32.600 -0.116 0.000 1.302 901 T N 0.958 114.876 114.554 -1.060 0.000 2.620 901 T HA -0.279 4.071 4.350 0.001 0.000 0.267 901 T C 1.695 176.141 174.700 -0.423 0.000 1.044 901 T CA 2.781 64.362 62.100 -0.864 0.000 1.161 901 T CB -0.730 67.867 68.868 -0.450 0.000 0.862 901 T HN 0.426 nan 8.240 nan 0.000 0.438 902 A N 0.891 123.548 122.820 -0.273 0.000 1.873 902 A HA -0.137 4.184 4.320 0.001 0.000 0.218 902 A C 2.265 179.807 177.584 -0.070 0.000 1.193 902 A CA 1.893 53.857 52.037 -0.121 0.000 0.629 902 A CB -0.970 17.971 19.000 -0.098 0.000 0.826 902 A HN 0.583 nan 8.150 nan 0.000 0.447 903 I N -1.807 118.696 120.570 -0.112 0.000 2.145 903 I HA -0.370 3.800 4.170 0.001 0.000 0.244 903 I C 2.560 178.775 176.117 0.163 0.000 1.075 903 I CA 1.762 63.068 61.300 0.010 0.000 1.332 903 I CB -0.466 37.542 38.000 0.013 0.000 1.033 903 I HN 0.536 nan 8.210 nan 0.000 0.410 904 W N 0.905 122.173 121.300 -0.053 0.000 2.315 904 W HA -0.189 4.471 4.660 0.000 0.000 0.323 904 W C 2.531 179.041 176.519 -0.015 0.000 1.233 904 W CA 0.882 58.205 57.345 -0.036 0.000 1.267 904 W CB -1.373 28.056 29.460 -0.051 0.000 1.160 904 W HN 0.095 nan 8.180 nan 0.000 0.474 905 I N 0.401 121.107 120.570 0.227 0.000 2.454 905 I HA -0.287 3.883 4.170 0.001 0.000 0.254 905 I C 2.456 178.630 176.117 0.095 0.000 1.156 905 I CA 1.553 62.936 61.300 0.137 0.000 1.433 905 I CB -0.629 37.431 38.000 0.100 0.000 1.082 905 I HN 0.028 nan 8.210 nan 0.000 0.432 906 K N 1.460 121.911 120.400 0.085 0.000 2.155 906 K HA -0.118 4.203 4.320 0.001 0.000 0.203 906 K C 1.449 178.089 176.600 0.066 0.000 1.052 906 K CA 1.421 57.744 56.287 0.060 0.000 0.948 906 K CB -0.058 32.469 32.500 0.044 0.000 0.728 906 K HN 0.419 nan 8.250 nan 0.000 0.448 907 N N -0.301 118.454 118.700 0.092 0.000 2.415 907 N HA -0.051 4.689 4.740 0.001 0.000 0.176 907 N C -0.388 175.159 175.510 0.063 0.000 1.042 907 N CA 0.027 53.126 53.050 0.081 0.000 0.902 907 N CB 0.564 39.115 38.487 0.107 0.000 0.986 907 N HN -0.018 nan 8.380 nan 0.000 0.447 908 S N -0.281 115.458 115.700 0.065 0.000 2.570 908 S HA 0.311 4.781 4.470 0.001 0.000 0.286 908 S C -1.238 173.388 174.600 0.044 0.000 1.143 908 S CA -0.737 57.487 58.200 0.040 0.000 0.921 908 S CB 0.999 64.208 63.200 0.015 0.000 1.108 908 S HN -0.076 nan 8.310 nan 0.000 0.456 909 K N 2.744 123.165 120.400 0.035 0.000 2.498 909 K HA 0.330 4.650 4.320 0.001 0.000 0.207 909 K C -0.053 176.561 176.600 0.024 0.000 1.033 909 K CA -0.174 56.136 56.287 0.039 0.000 1.138 909 K CB -0.090 32.434 32.500 0.040 0.000 0.860 909 K HN 0.565 nan 8.250 nan 0.000 0.490 910 L N -2.721 118.506 121.223 0.007 0.000 2.380 910 L HA 0.413 4.753 4.340 0.001 0.000 0.273 910 L C -1.844 175.010 176.870 -0.028 0.000 1.138 910 L CA -1.543 53.291 54.840 -0.009 0.000 0.832 910 L CB 0.204 42.251 42.059 -0.019 0.000 1.124 910 L HN -0.127 nan 8.230 nan 0.000 0.454 911 P HA -0.412 nan 4.420 nan 0.000 0.224 911 P C 1.629 178.843 177.300 -0.143 0.000 1.130 911 P CA 3.136 66.193 63.100 -0.072 0.000 0.976 911 P CB -0.004 31.659 31.700 -0.062 0.000 0.781 912 A N -1.344 121.386 122.820 -0.150 0.000 1.915 912 A HA -0.269 4.051 4.320 0.001 0.000 0.220 912 A C 2.347 179.840 177.584 -0.152 0.000 1.198 912 A CA 2.826 54.754 52.037 -0.181 0.000 0.647 912 A CB -1.822 17.081 19.000 -0.160 0.000 0.825 912 A HN 0.147 nan 8.150 nan 0.000 0.456 913 V N -0.164 119.686 119.914 -0.106 0.000 2.453 913 V HA -0.178 3.942 4.120 0.001 0.000 0.247 913 V C 2.499 178.625 176.094 0.054 0.000 1.048 913 V CA 1.570 63.835 62.300 -0.060 0.000 1.049 913 V CB -0.691 31.105 31.823 -0.045 0.000 0.672 913 V HN 0.557 nan 8.190 nan 0.000 0.457 914 L N -0.307 120.936 121.223 0.033 0.000 2.017 914 L HA -0.155 4.185 4.340 0.001 0.000 0.208 914 L C 2.525 179.476 176.870 0.135 0.000 1.073 914 L CA 1.256 56.153 54.840 0.095 0.000 0.745 914 L CB -0.771 41.328 42.059 0.067 0.000 0.894 914 L HN 0.208 nan 8.230 nan 0.000 0.432 915 V N 0.334 120.226 119.914 -0.036 0.000 2.287 915 V HA -0.314 3.806 4.120 0.001 0.000 0.248 915 V C 2.755 179.010 176.094 0.269 0.000 1.053 915 V CA 1.956 64.195 62.300 -0.103 0.000 1.027 915 V CB -1.007 30.435 31.823 -0.634 0.000 0.646 915 V HN 0.503 nan 8.190 nan 0.000 0.447 916 A N -0.231 122.702 122.820 0.188 0.000 2.067 916 A HA 0.058 4.378 4.320 0.001 0.000 0.219 916 A C 2.128 180.041 177.584 0.550 0.000 1.158 916 A CA 1.584 53.809 52.037 0.312 0.000 0.661 916 A CB -0.499 18.543 19.000 0.069 0.000 0.801 916 A HN 0.616 nan 8.150 nan 0.000 0.452 917 A N -1.612 121.508 122.820 0.500 0.000 2.302 917 A HA 0.434 4.754 4.320 0.001 0.000 0.219 917 A C 1.693 179.493 177.584 0.360 0.000 1.243 917 A CA 1.012 53.309 52.037 0.433 0.000 0.856 917 A CB -1.042 18.165 19.000 0.344 0.000 0.893 917 A HN 1.788 nan 8.150 nan 0.000 0.491 918 G N -1.807 107.307 108.800 0.525 0.000 2.155 918 G HA2 -0.035 3.926 3.960 0.001 0.000 0.257 918 G HA3 -0.035 3.926 3.960 0.001 0.000 0.257 918 G C 0.521 175.529 174.900 0.180 0.000 0.983 918 G CA 0.297 45.611 45.100 0.357 0.000 0.676 918 G HN 1.677 nan 8.290 nan 0.000 0.528 919 A N 0.198 123.214 122.820 0.327 0.000 3.157 919 A HA 0.714 5.035 4.320 0.001 0.000 0.276 919 A C 1.175 179.020 177.584 0.434 0.000 1.524 919 A CA -0.114 52.082 52.037 0.266 0.000 1.236 919 A CB -0.354 18.761 19.000 0.193 0.000 1.173 919 A HN 0.275 nan 8.150 nan 0.000 0.595 920 F N 0.317 120.360 119.950 0.155 0.000 2.069 920 F HA -0.173 4.355 4.527 0.001 0.000 0.298 920 F C 2.135 178.064 175.800 0.215 0.000 1.113 920 F CA 1.550 59.703 58.000 0.256 0.000 1.214 920 F CB -0.668 38.478 39.000 0.243 0.000 0.978 920 F HN 0.477 nan 8.300 nan 0.000 0.474 921 D N 0.105 120.694 120.400 0.315 0.000 2.106 921 D HA -0.187 4.454 4.640 0.001 0.000 0.191 921 D C 2.306 178.707 176.300 0.168 0.000 0.997 921 D CA 1.579 55.693 54.000 0.190 0.000 0.834 921 D CB -0.394 40.478 40.800 0.121 0.000 0.956 921 D HN 0.169 nan 8.370 nan 0.000 0.448 922 A N 0.658 123.575 122.820 0.161 0.000 1.948 922 A HA -0.147 4.173 4.320 0.001 0.000 0.220 922 A C 2.343 180.004 177.584 0.128 0.000 1.177 922 A CA 2.799 54.912 52.037 0.126 0.000 0.636 922 A CB -0.769 18.302 19.000 0.118 0.000 0.815 922 A HN 0.326 nan 8.150 nan 0.000 0.449 923 A N -0.694 122.228 122.820 0.170 0.000 1.897 923 A HA 0.107 4.428 4.320 0.001 0.000 0.215 923 A C 2.188 179.889 177.584 0.196 0.000 1.181 923 A CA 1.500 53.623 52.037 0.143 0.000 0.620 923 A CB -0.860 18.188 19.000 0.080 0.000 0.821 923 A HN 0.473 nan 8.150 nan 0.000 0.443 924 V N 0.241 120.301 119.914 0.243 0.000 2.332 924 V HA -0.342 3.778 4.120 0.001 0.000 0.248 924 V C 2.517 178.676 176.094 0.109 0.000 1.055 924 V CA 2.238 64.641 62.300 0.171 0.000 1.038 924 V CB -1.179 30.706 31.823 0.103 0.000 0.651 924 V HN 0.625 nan 8.190 nan 0.000 0.450 925 Q N -0.126 119.732 119.800 0.098 0.000 2.167 925 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 925 Q C 2.406 178.444 176.000 0.064 0.000 0.970 925 Q CA 1.518 57.363 55.803 0.070 0.000 0.855 925 Q CB -0.315 28.462 28.738 0.065 0.000 0.911 925 Q HN 0.703 nan 8.270 nan 0.000 0.438 926 A N 0.800 123.664 122.820 0.072 0.000 1.898 926 A HA -0.062 4.258 4.320 0.001 0.000 0.214 926 A C 1.989 179.607 177.584 0.057 0.000 1.183 926 A CA 0.685 52.756 52.037 0.058 0.000 0.622 926 A CB -0.457 18.574 19.000 0.052 0.000 0.824 926 A HN 0.258 nan 8.150 nan 0.000 0.444 927 L N -0.478 120.789 121.223 0.073 0.000 2.362 927 L HA -0.102 4.238 4.340 0.001 0.000 0.219 927 L C 2.724 179.629 176.870 0.059 0.000 1.134 927 L CA 1.132 56.014 54.840 0.070 0.000 0.807 927 L CB -0.298 41.823 42.059 0.103 0.000 0.927 927 L HN 0.457 nan 8.230 nan 0.000 0.447 928 S N 0.117 115.850 115.700 0.055 0.000 2.362 928 S HA -0.103 4.368 4.470 0.001 0.000 0.221 928 S C 1.950 176.573 174.600 0.037 0.000 1.032 928 S CA 1.075 59.300 58.200 0.042 0.000 0.973 928 S CB 0.133 63.357 63.200 0.039 0.000 0.849 928 S HN 0.370 nan 8.310 nan 0.000 0.465 929 K N 0.408 120.830 120.400 0.038 0.000 2.228 929 K HA 0.060 4.380 4.320 0.001 0.000 0.202 929 K C 2.333 178.953 176.600 0.034 0.000 1.051 929 K CA 0.914 57.220 56.287 0.033 0.000 0.960 929 K CB -0.054 32.465 32.500 0.032 0.000 0.743 929 K HN 0.436 nan 8.250 nan 0.000 0.458 930 Q N -0.247 119.575 119.800 0.038 0.000 2.204 930 Q HA 0.044 4.384 4.340 0.001 0.000 0.198 930 Q C 1.358 177.383 176.000 0.042 0.000 0.946 930 Q CA 0.724 56.550 55.803 0.039 0.000 0.859 930 Q CB 0.654 29.415 28.738 0.038 0.000 0.946 930 Q HN 0.005 nan 8.270 nan 0.000 0.474 931 V N -0.962 118.978 119.914 0.043 0.000 3.382 931 V HA 0.235 4.355 4.120 0.001 0.000 0.296 931 V C 0.527 176.648 176.094 0.044 0.000 1.529 931 V CA 0.608 62.935 62.300 0.046 0.000 1.048 931 V CB 1.094 32.943 31.823 0.044 0.000 0.878 931 V HN 0.479 nan 8.190 nan 0.000 0.442 932 G N 1.222 110.045 108.800 0.039 0.000 2.176 932 G HA2 -0.214 3.746 3.960 0.001 0.000 0.252 932 G HA3 -0.214 3.746 3.960 0.001 0.000 0.252 932 G C 0.199 175.120 174.900 0.034 0.000 1.024 932 G CA 0.381 45.502 45.100 0.034 0.000 0.755 932 G HN 0.467 nan 8.290 nan 0.000 0.507 933 V N -0.343 119.595 119.914 0.040 0.000 2.585 933 V HA 0.328 4.448 4.120 0.001 0.000 0.296 933 V C 1.391 177.500 176.094 0.025 0.000 1.035 933 V CA 0.699 63.023 62.300 0.040 0.000 1.084 933 V CB 1.440 33.296 31.823 0.055 0.000 0.953 933 V HN 0.205 nan 8.190 nan 0.000 0.483 934 V N 3.410 123.333 119.914 0.015 0.000 3.161 934 V HA 0.187 4.308 4.120 0.001 0.000 0.221 934 V C 0.929 177.017 176.094 -0.009 0.000 1.296 934 V CA 0.109 62.411 62.300 0.003 0.000 1.306 934 V CB 0.272 32.095 31.823 0.000 0.000 1.171 934 V HN 0.744 nan 8.190 nan 0.000 0.513 935 K N 1.488 121.884 120.400 -0.007 0.000 2.316 935 K HA 0.295 4.616 4.320 0.001 0.000 0.289 935 K C 0.467 177.045 176.600 -0.036 0.000 1.070 935 K CA -0.104 56.172 56.287 -0.018 0.000 0.928 935 K CB 0.876 33.372 32.500 -0.007 0.000 1.039 935 K HN 0.291 nan 8.250 nan 0.000 0.480 936 L N 3.423 124.605 121.223 -0.068 0.000 2.375 936 L HA -0.029 4.312 4.340 0.001 0.000 0.215 936 L C 1.562 178.343 176.870 -0.147 0.000 1.108 936 L CA 0.357 55.121 54.840 -0.127 0.000 0.830 936 L CB -0.127 41.831 42.059 -0.169 0.000 0.959 936 L HN 0.660 nan 8.230 nan 0.000 0.457 937 E N 1.260 121.398 120.200 -0.102 0.000 2.065 937 E HA -0.209 4.141 4.350 0.001 0.000 0.201 937 E C -0.879 175.655 176.600 -0.110 0.000 1.016 937 E CA 1.609 57.952 56.400 -0.095 0.000 0.818 937 E CB -1.144 28.522 29.700 -0.058 0.000 0.749 937 E HN 0.425 nan 8.360 nan 0.000 0.453 938 P HA -0.022 nan 4.420 nan 0.000 0.258 938 P C 0.060 177.171 177.300 -0.315 0.000 1.403 938 P CA 0.651 63.656 63.100 -0.160 0.000 0.826 938 P CB 0.317 31.966 31.700 -0.085 0.000 1.414 939 L N -0.910 120.183 121.223 -0.218 0.000 2.858 939 L HA 0.296 4.636 4.340 0.001 0.000 0.251 939 L C 2.196 179.020 176.870 -0.078 0.000 1.149 939 L CA 0.456 55.218 54.840 -0.131 0.000 0.955 939 L CB -0.238 41.729 42.059 -0.153 0.000 1.289 939 L HN -0.221 nan 8.230 nan 0.000 0.542 940 K N 0.230 120.534 120.400 -0.160 0.000 1.985 940 K HA -0.243 4.077 4.320 0.001 0.000 0.210 940 K C 2.080 178.627 176.600 -0.089 0.000 1.047 940 K CA 1.727 57.924 56.287 -0.149 0.000 0.932 940 K CB 0.032 32.460 32.500 -0.120 0.000 0.716 940 K HN 0.153 nan 8.250 nan 0.000 0.439 941 K N -0.172 120.110 120.400 -0.198 0.000 2.089 941 K HA -0.227 4.093 4.320 0.001 0.000 0.210 941 K C 2.007 178.362 176.600 -0.408 0.000 1.048 941 K CA 2.000 58.083 56.287 -0.340 0.000 0.926 941 K CB -0.260 31.918 32.500 -0.536 0.000 0.714 941 K HN 0.269 nan 8.250 nan 0.000 0.448 942 Y N -0.764 119.551 120.300 0.025 0.000 2.242 942 Y HA -0.146 4.405 4.550 0.001 0.000 0.291 942 Y C 2.090 178.050 175.900 0.100 0.000 1.137 942 Y CA 0.867 59.004 58.100 0.062 0.000 1.181 942 Y CB -0.256 38.238 38.460 0.056 0.000 0.989 942 Y HN 0.007 nan 8.280 nan 0.000 0.527 943 F N -0.126 119.776 119.950 -0.080 0.000 2.146 943 F HA -0.190 4.338 4.527 0.001 0.000 0.298 943 F C 2.466 178.215 175.800 -0.084 0.000 1.096 943 F CA 1.530 59.387 58.000 -0.238 0.000 1.275 943 F CB -1.155 37.513 39.000 -0.554 0.000 1.008 943 F HN -0.085 nan 8.300 nan 0.000 0.480 944 T N 0.236 114.899 114.554 0.182 0.000 2.622 944 T HA -0.205 4.146 4.350 0.001 0.000 0.266 944 T C 1.834 176.653 174.700 0.199 0.000 1.047 944 T CA 1.767 63.991 62.100 0.208 0.000 1.159 944 T CB -0.378 68.555 68.868 0.108 0.000 0.863 944 T HN 0.127 nan 8.240 nan 0.000 0.422 945 N N 1.102 119.854 118.700 0.087 0.000 2.104 945 N HA -0.027 4.714 4.740 0.001 0.000 0.190 945 N C 1.883 177.451 175.510 0.096 0.000 1.024 945 N CA 0.951 54.044 53.050 0.072 0.000 0.853 945 N CB -0.509 37.982 38.487 0.008 0.000 1.008 945 N HN 0.411 nan 8.380 nan 0.000 0.424 946 I N -0.201 120.419 120.570 0.083 0.000 2.142 946 I HA -0.314 3.856 4.170 0.001 0.000 0.240 946 I C 2.177 178.362 176.117 0.114 0.000 1.078 946 I CA 1.127 62.451 61.300 0.041 0.000 1.343 946 I CB -0.385 37.589 38.000 -0.043 0.000 1.046 946 I HN 0.088 nan 8.210 nan 0.000 0.405 947 Y N 2.056 122.422 120.300 0.111 0.000 2.070 947 Y HA -0.293 4.257 4.550 0.001 0.000 0.280 947 Y C 2.508 178.524 175.900 0.193 0.000 1.148 947 Y CA 1.937 60.165 58.100 0.213 0.000 1.125 947 Y CB -0.221 38.435 38.460 0.327 0.000 0.975 947 Y HN 0.171 nan 8.280 nan 0.000 0.492 948 E N -0.954 119.409 120.200 0.270 0.000 2.274 948 E HA -0.067 4.283 4.350 0.001 0.000 0.194 948 E C 2.263 178.915 176.600 0.087 0.000 0.996 948 E CA 0.591 57.096 56.400 0.174 0.000 0.840 948 E CB -0.316 29.531 29.700 0.245 0.000 0.772 948 E HN 0.645 nan 8.360 nan 0.000 0.491 949 G N 1.379 110.234 108.800 0.092 0.000 2.484 949 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 949 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 949 G C 1.573 176.542 174.900 0.114 0.000 1.130 949 G CA 0.905 46.065 45.100 0.100 0.000 0.784 949 G HN 0.460 nan 8.290 nan 0.000 0.543 950 C N -0.998 118.347 119.300 0.074 0.000 2.668 950 C HA 0.722 5.182 4.460 0.001 0.000 0.301 950 C C 0.616 175.631 174.990 0.042 0.000 1.351 950 C CA -1.506 57.575 59.018 0.103 0.000 1.757 950 C CB -1.193 26.611 27.740 0.106 0.000 2.179 950 C HN 0.123 nan 8.230 nan 0.000 0.586 951 R N 0.568 121.017 120.500 -0.085 0.000 2.628 951 R HA 0.690 5.030 4.340 0.001 0.000 0.288 951 R C -0.799 175.305 176.300 -0.326 0.000 0.980 951 R CA 0.219 56.144 56.100 -0.291 0.000 0.891 951 R CB 2.012 32.084 30.300 -0.379 0.000 1.188 951 R HN 0.386 nan 8.270 nan 0.000 0.450 952 T N 1.740 115.996 114.554 -0.497 0.000 2.916 952 T HA 0.541 4.892 4.350 0.001 0.000 0.305 952 T C -1.674 172.658 174.700 -0.613 0.000 1.119 952 T CA -0.578 61.289 62.100 -0.389 0.000 1.008 952 T CB 0.766 69.533 68.868 -0.169 0.000 1.129 952 T HN 0.370 nan 8.240 nan 0.000 0.480 953 Y N 3.847 124.107 120.300 -0.066 0.000 2.352 953 Y HA 0.661 5.211 4.550 0.001 0.000 0.339 953 Y C 0.305 176.180 175.900 -0.042 0.000 0.992 953 Y CA -1.397 56.667 58.100 -0.059 0.000 1.100 953 Y CB 1.233 39.666 38.460 -0.045 0.000 1.192 953 Y HN 0.470 nan 8.280 nan 0.000 0.458 954 I N 6.541 127.152 120.570 0.067 0.000 2.412 954 I HA 0.433 4.603 4.170 0.001 0.000 0.296 954 I C -2.520 173.628 176.117 0.050 0.000 0.987 954 I CA -3.148 58.175 61.300 0.038 0.000 1.180 954 I CB 1.863 39.865 38.000 0.002 0.000 1.340 954 I HN 0.447 nan 8.210 nan 0.000 0.455 955 P HA 0.061 nan 4.420 nan 0.000 0.265 955 P C -0.409 176.903 177.300 0.021 0.000 1.193 955 P CA -0.007 63.110 63.100 0.028 0.000 0.765 955 P CB 0.534 32.244 31.700 0.017 0.000 0.823 956 S N 1.648 117.360 115.700 0.019 0.000 2.603 956 S HA 0.140 4.611 4.470 0.001 0.000 0.268 956 S C 1.635 176.241 174.600 0.009 0.000 1.317 956 S CA -0.288 57.921 58.200 0.014 0.000 1.012 956 S CB 0.487 63.696 63.200 0.014 0.000 0.926 956 S HN 0.490 nan 8.310 nan 0.000 0.539 957 T N 3.424 117.982 114.554 0.007 0.000 2.508 957 T HA -0.011 4.339 4.350 0.001 0.000 0.249 957 T C -1.910 172.792 174.700 0.003 0.000 1.173 957 T CA 0.796 62.899 62.100 0.004 0.000 1.275 957 T CB -1.103 67.767 68.868 0.004 0.000 0.883 957 T HN 0.531 nan 8.240 nan 0.000 0.394 958 P HA 0.130 nan 4.420 nan 0.000 0.258 958 P C 0.650 177.950 177.300 0.000 0.000 1.214 958 P CA 0.022 63.122 63.100 0.001 0.000 0.872 958 P CB -0.493 31.207 31.700 0.000 0.000 0.890 959 C N 3.533 122.833 119.300 -0.000 0.000 2.393 959 C HA -0.207 4.254 4.460 0.001 0.000 0.275 959 C C 1.830 176.818 174.990 -0.004 0.000 1.170 959 C CA 1.712 60.730 59.018 -0.001 0.000 1.827 959 C CB -1.784 25.954 27.740 -0.002 0.000 2.131 959 C HN 0.591 nan 8.230 nan 0.000 0.474 960 E N 0.233 120.431 120.200 -0.004 0.000 2.382 960 E HA 0.303 4.654 4.350 0.001 0.000 0.190 960 E C -0.082 176.514 176.600 -0.006 0.000 1.125 960 E CA -0.000 56.396 56.400 -0.007 0.000 0.929 960 E CB -0.359 29.337 29.700 -0.007 0.000 1.053 960 E HN 0.504 nan 8.360 nan 0.000 0.475 961 L N 1.882 123.103 121.223 -0.003 0.000 2.344 961 L HA 0.467 4.807 4.340 0.001 0.000 0.272 961 L C -2.413 174.456 176.870 -0.001 0.000 1.035 961 L CA -2.586 52.254 54.840 -0.001 0.000 0.807 961 L CB 0.924 42.985 42.059 0.003 0.000 1.237 961 L HN -0.082 nan 8.230 nan 0.000 0.442 962 P HA 0.267 nan 4.420 nan 0.000 0.277 962 P C -1.154 176.156 177.300 0.016 0.000 1.240 962 P CA -0.525 62.573 63.100 -0.004 0.000 0.798 962 P CB 0.973 32.670 31.700 -0.006 0.000 0.979 963 A N 3.031 125.863 122.820 0.021 0.000 2.429 963 A HA 0.077 4.397 4.320 0.001 0.000 0.242 963 A C 0.290 177.949 177.584 0.126 0.000 1.088 963 A CA 0.025 52.107 52.037 0.075 0.000 0.784 963 A CB -0.374 18.687 19.000 0.101 0.000 1.038 963 A HN 0.600 nan 8.150 nan 0.000 0.501 964 Q N -0.143 119.722 119.800 0.107 0.000 2.271 964 Q HA 0.446 4.787 4.340 0.001 0.000 0.258 964 Q C -0.849 175.152 176.000 0.003 0.000 0.936 964 Q CA -0.747 55.092 55.803 0.061 0.000 0.909 964 Q CB 1.796 30.544 28.738 0.017 0.000 1.253 964 Q HN 0.624 nan 8.270 nan 0.000 0.440 965 L N 1.929 123.111 121.223 -0.068 0.000 2.453 965 L HA 0.405 4.745 4.340 0.001 0.000 0.272 965 L C 0.049 176.685 176.870 -0.390 0.000 1.182 965 L CA 0.920 55.549 54.840 -0.352 0.000 0.858 965 L CB 0.593 42.465 42.059 -0.312 0.000 1.120 965 L HN 0.686 nan 8.230 nan 0.000 0.474 966 G N 3.274 111.747 108.800 -0.545 0.000 2.638 966 G HA2 0.470 4.431 3.960 0.001 0.000 0.302 966 G HA3 0.470 4.431 3.960 0.001 0.000 0.302 966 G C -1.878 172.737 174.900 -0.475 0.000 1.365 966 G CA -0.392 44.491 45.100 -0.361 0.000 0.987 966 G HN 0.419 nan 8.290 nan 0.000 0.495 967 Y N 0.342 120.604 120.300 -0.063 0.000 2.387 967 Y HA 0.485 5.036 4.550 0.001 0.000 0.330 967 Y C 0.350 176.280 175.900 0.050 0.000 1.133 967 Y CA -0.663 57.451 58.100 0.023 0.000 1.152 967 Y CB 2.481 41.004 38.460 0.105 0.000 1.215 967 Y HN 0.272 nan 8.280 nan 0.000 0.466 968 V N 5.105 125.155 119.914 0.227 0.000 2.311 968 V HA 0.393 4.513 4.120 0.001 0.000 0.275 968 V C 0.022 176.199 176.094 0.138 0.000 1.022 968 V CA -0.997 61.364 62.300 0.103 0.000 0.830 968 V CB 0.374 32.195 31.823 -0.003 0.000 1.012 968 V HN 0.728 nan 8.190 nan 0.000 0.452 969 R N 2.909 123.477 120.500 0.112 0.000 2.543 969 R HA 0.540 4.880 4.340 0.001 0.000 0.268 969 R C 1.319 177.587 176.300 -0.053 0.000 1.067 969 R CA 0.021 56.150 56.100 0.048 0.000 1.142 969 R CB 1.082 31.453 30.300 0.118 0.000 1.110 969 R HN 0.700 nan 8.270 nan 0.000 0.549 970 A N 1.442 124.127 122.820 -0.224 0.000 2.014 970 A HA -0.017 4.303 4.320 0.001 0.000 0.218 970 A C 0.109 177.360 177.584 -0.556 0.000 1.163 970 A CA 1.116 52.883 52.037 -0.451 0.000 0.652 970 A CB -0.034 18.472 19.000 -0.823 0.000 0.808 970 A HN 0.643 nan 8.150 nan 0.000 0.449 971 Y N -0.836 119.479 120.300 0.024 0.000 2.857 971 Y HA 0.470 5.020 4.550 0.001 0.000 0.318 971 Y C -0.649 175.265 175.900 0.022 0.000 1.313 971 Y CA -1.343 56.770 58.100 0.021 0.000 1.117 971 Y CB 0.985 39.452 38.460 0.012 0.000 1.344 971 Y HN 0.192 nan 8.280 nan 0.000 0.525 972 D N -0.872 119.659 120.400 0.218 0.000 2.342 972 D HA 0.127 4.768 4.640 0.001 0.000 0.243 972 D C -0.152 176.199 176.300 0.085 0.000 1.019 972 D CA -0.441 53.628 54.000 0.114 0.000 0.864 972 D CB 1.891 42.739 40.800 0.079 0.000 1.315 972 D HN 0.626 nan 8.370 nan 0.000 0.468 973 D N 0.646 121.084 120.400 0.064 0.000 7.136 973 D HA -0.221 4.419 4.640 0.001 0.000 0.223 973 D C 0.350 176.673 176.300 0.038 0.000 1.984 973 D CA 2.041 56.070 54.000 0.047 0.000 0.688 973 D CB -0.287 40.533 40.800 0.033 0.000 0.682 973 D HN 0.492 nan 8.370 nan 0.000 0.940 974 T N 1.753 116.324 114.554 0.029 0.000 4.309 974 T HA 0.324 4.675 4.350 0.001 0.000 0.242 974 T C 0.034 174.730 174.700 -0.007 0.000 1.142 974 T CA -0.222 61.884 62.100 0.010 0.000 1.042 974 T CB 0.163 69.033 68.868 0.004 0.000 1.366 974 T HN -0.089 nan 8.240 nan 0.000 0.942 975 V N 0.278 120.192 119.914 0.000 0.000 3.012 975 V HA 0.328 4.449 4.120 0.001 0.000 0.307 975 V C 0.131 176.221 176.094 -0.006 0.000 1.166 975 V CA -1.390 60.893 62.300 -0.029 0.000 0.974 975 V CB 2.327 34.124 31.823 -0.043 0.000 1.040 975 V HN 0.505 nan 8.190 nan 0.000 0.428 976 S N 1.758 117.443 115.700 -0.024 0.000 2.593 976 S HA -0.021 4.449 4.470 0.001 0.000 0.300 976 S C 1.137 175.750 174.600 0.022 0.000 1.267 976 S CA -0.027 58.171 58.200 -0.004 0.000 1.065 976 S CB 0.246 63.437 63.200 -0.015 0.000 0.807 976 S HN 0.853 nan 8.310 nan 0.000 0.499 977 E N 1.518 121.734 120.200 0.027 0.000 2.396 977 E HA -0.187 4.164 4.350 0.001 0.000 0.200 977 E C 0.795 177.426 176.600 0.052 0.000 1.023 977 E CA 0.820 57.245 56.400 0.042 0.000 0.857 977 E CB -0.025 29.694 29.700 0.031 0.000 0.775 977 E HN 0.577 nan 8.360 nan 0.000 0.525 978 D N 0.688 121.111 120.400 0.039 0.000 2.117 978 D HA -0.149 4.492 4.640 0.001 0.000 0.198 978 D C 1.170 177.507 176.300 0.062 0.000 0.982 978 D CA 0.956 54.982 54.000 0.043 0.000 0.828 978 D CB -0.130 40.685 40.800 0.025 0.000 0.967 978 D HN 0.139 nan 8.370 nan 0.000 0.464 979 Q N 0.343 120.178 119.800 0.059 0.000 2.414 979 Q HA 0.197 4.538 4.340 0.001 0.000 0.286 979 Q C -0.418 175.693 176.000 0.185 0.000 0.941 979 Q CA -0.127 55.732 55.803 0.094 0.000 0.951 979 Q CB -0.249 28.490 28.738 0.002 0.000 1.188 979 Q HN 0.203 nan 8.270 nan 0.000 0.418 980 I N 2.301 122.968 120.570 0.162 0.000 2.291 980 I HA 0.233 4.404 4.170 0.001 0.000 0.290 980 I C -0.664 175.546 176.117 0.156 0.000 1.050 980 I CA -0.123 61.292 61.300 0.192 0.000 1.245 980 I CB 0.496 38.620 38.000 0.206 0.000 1.405 980 I HN 0.229 nan 8.210 nan 0.000 0.478 981 L N 8.335 129.542 121.223 -0.026 0.000 2.303 981 L HA 0.648 4.988 4.340 0.001 0.000 0.256 981 L C -2.497 173.917 176.870 -0.759 0.000 1.034 981 L CA -1.886 52.708 54.840 -0.409 0.000 0.832 981 L CB 2.484 44.390 42.059 -0.255 0.000 1.403 981 L HN 0.292 nan 8.230 nan 0.000 0.419 982 P HA 0.047 nan 4.420 nan 0.000 0.276 982 P C -1.524 175.446 177.300 -0.550 0.000 1.244 982 P CA -0.299 62.083 63.100 -1.197 0.000 0.801 982 P CB 0.695 31.324 31.700 -1.785 0.000 1.006 983 Y N 2.052 122.102 120.300 -0.417 0.000 2.402 983 Y HA 0.324 4.874 4.550 0.001 0.000 0.333 983 Y C -0.801 174.956 175.900 -0.238 0.000 1.076 983 Y CA 0.048 57.975 58.100 -0.288 0.000 1.299 983 Y CB 0.368 38.719 38.460 -0.181 0.000 1.197 983 Y HN 0.033 nan 8.280 nan 0.000 0.517 984 V N 9.391 128.801 119.914 -0.841 0.000 2.409 984 V HA 0.291 4.412 4.120 0.001 0.000 0.290 984 V C -2.165 173.473 176.094 -0.760 0.000 1.017 984 V CA -1.956 59.962 62.300 -0.636 0.000 0.841 984 V CB 1.458 33.052 31.823 -0.382 0.000 1.003 984 V HN 0.781 nan 8.190 nan 0.000 0.426 985 P HA 0.044 nan 4.420 nan 0.000 0.256 985 P C 0.482 177.634 177.300 -0.246 0.000 1.173 985 P CA 0.700 63.562 63.100 -0.397 0.000 0.768 985 P CB 0.887 32.504 31.700 -0.139 0.000 0.758 986 G N 2.215 110.892 108.800 -0.205 0.000 2.783 986 G HA2 0.183 4.144 3.960 0.001 0.000 0.182 986 G HA3 0.183 4.144 3.960 0.001 0.000 0.182 986 G C 0.940 175.794 174.900 -0.078 0.000 1.516 986 G CA -0.581 44.439 45.100 -0.133 0.000 1.079 986 G HN 0.366 nan 8.290 nan 0.000 0.573 987 L N 0.330 121.520 121.223 -0.055 0.000 2.362 987 L HA 0.038 4.379 4.340 0.001 0.000 0.219 987 L C 2.305 179.160 176.870 -0.025 0.000 1.134 987 L CA 0.953 55.770 54.840 -0.039 0.000 0.807 987 L CB -0.438 41.605 42.059 -0.027 0.000 0.927 987 L HN 0.383 nan 8.230 nan 0.000 0.447 988 D N -0.375 120.015 120.400 -0.016 0.000 2.106 988 D HA -0.211 4.429 4.640 0.001 0.000 0.191 988 D C 2.215 178.508 176.300 -0.010 0.000 0.997 988 D CA 1.538 55.536 54.000 -0.003 0.000 0.834 988 D CB -0.429 40.378 40.800 0.012 0.000 0.956 988 D HN 0.097 nan 8.370 nan 0.000 0.448 989 V N 0.357 120.262 119.914 -0.014 0.000 2.667 989 V HA -0.145 3.976 4.120 0.001 0.000 0.252 989 V C 2.392 178.465 176.094 -0.035 0.000 1.065 989 V CA 0.766 63.055 62.300 -0.018 0.000 1.083 989 V CB -0.300 31.518 31.823 -0.007 0.000 0.692 989 V HN 0.115 nan 8.190 nan 0.000 0.468 990 V N 0.701 120.590 119.914 -0.043 0.000 2.407 990 V HA -0.228 3.893 4.120 0.001 0.000 0.248 990 V C 2.361 178.412 176.094 -0.071 0.000 1.055 990 V CA 1.999 64.263 62.300 -0.059 0.000 1.049 990 V CB -0.786 31.001 31.823 -0.060 0.000 0.662 990 V HN 0.561 nan 8.190 nan 0.000 0.455 991 N N 0.265 118.934 118.700 -0.051 0.000 2.080 991 N HA -0.158 4.583 4.740 0.001 0.000 0.189 991 N C 1.855 177.320 175.510 -0.076 0.000 1.036 991 N CA 1.483 54.503 53.050 -0.050 0.000 0.846 991 N CB -0.367 38.112 38.487 -0.012 0.000 1.015 991 N HN 0.562 nan 8.380 nan 0.000 0.423 992 E N 0.525 120.693 120.200 -0.054 0.000 2.136 992 E HA -0.238 4.112 4.350 0.001 0.000 0.202 992 E C 1.625 178.160 176.600 -0.109 0.000 1.019 992 E CA 1.539 57.904 56.400 -0.058 0.000 0.819 992 E CB 0.001 29.681 29.700 -0.034 0.000 0.739 992 E HN 0.153 nan 8.360 nan 0.000 0.458 993 K N -0.365 119.957 120.400 -0.130 0.000 2.167 993 K HA 0.043 4.364 4.320 0.001 0.000 0.203 993 K C 1.897 178.292 176.600 -0.342 0.000 1.052 993 K CA 0.643 56.815 56.287 -0.192 0.000 0.956 993 K CB 0.090 32.506 32.500 -0.140 0.000 0.735 993 K HN 0.059 nan 8.250 nan 0.000 0.451 994 M N 0.945 120.348 119.600 -0.328 0.000 2.229 994 M HA -0.117 4.364 4.480 0.001 0.000 0.264 994 M C 1.130 176.936 176.300 -0.824 0.000 1.063 994 M CA 1.352 56.335 55.300 -0.529 0.000 1.114 994 M CB -0.712 31.689 32.600 -0.332 0.000 1.387 994 M HN 0.156 nan 8.290 nan 0.000 0.420 995 N N 0.351 118.789 118.700 -0.436 0.000 2.135 995 N HA -0.127 4.613 4.740 0.001 0.000 0.186 995 N C 1.559 176.920 175.510 -0.248 0.000 1.027 995 N CA 1.064 53.965 53.050 -0.248 0.000 0.849 995 N CB -0.397 38.072 38.487 -0.030 0.000 1.002 995 N HN 0.453 nan 8.380 nan 0.000 0.425 996 E N 0.339 120.388 120.200 -0.251 0.000 2.147 996 E HA -0.169 4.181 4.350 0.001 0.000 0.199 996 E C 1.907 178.321 176.600 -0.309 0.000 1.005 996 E CA 1.153 57.428 56.400 -0.209 0.000 0.810 996 E CB -0.249 29.331 29.700 -0.200 0.000 0.736 996 E HN 0.424 nan 8.360 nan 0.000 0.460 997 G N 0.366 108.781 108.800 -0.641 0.000 2.459 997 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 997 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 997 G C 1.102 175.837 174.900 -0.276 0.000 1.183 997 G CA 1.003 45.511 45.100 -0.987 0.000 0.776 997 G HN 0.213 nan 8.290 nan 0.000 0.552 998 Y N 1.197 121.421 120.300 -0.127 0.000 2.181 998 Y HA -0.068 4.483 4.550 0.001 0.000 0.288 998 Y C 2.656 178.640 175.900 0.140 0.000 1.146 998 Y CA 0.961 59.059 58.100 -0.004 0.000 1.164 998 Y CB -0.732 37.730 38.460 0.004 0.000 0.982 998 Y HN 0.248 nan 8.280 nan 0.000 0.515 999 K N 0.497 121.028 120.400 0.218 0.000 2.009 999 K HA -0.217 4.103 4.320 0.001 0.000 0.210 999 K C 1.697 178.395 176.600 0.162 0.000 1.049 999 K CA 1.884 58.268 56.287 0.162 0.000 0.929 999 K CB -0.326 32.217 32.500 0.071 0.000 0.714 999 K HN 0.266 nan 8.250 nan 0.000 0.440 1000 N N -0.163 118.603 118.700 0.110 0.000 2.453 1000 N HA -0.142 4.599 4.740 0.001 0.000 0.183 1000 N C 1.565 177.196 175.510 0.202 0.000 1.041 1000 N CA 0.856 53.972 53.050 0.110 0.000 0.900 1000 N CB -0.092 38.419 38.487 0.040 0.000 0.961 1000 N HN 0.235 nan 8.380 nan 0.000 0.443 1001 F N 2.002 122.043 119.950 0.151 0.000 2.187 1001 F HA 0.010 4.538 4.527 0.001 0.000 0.295 1001 F C 2.152 178.071 175.800 0.198 0.000 1.091 1001 F CA 1.038 59.161 58.000 0.207 0.000 1.308 1001 F CB 0.152 39.297 39.000 0.242 0.000 1.030 1001 F HN -0.176 nan 8.300 nan 0.000 0.487 1002 K N 0.269 120.923 120.400 0.423 0.000 2.097 1002 K HA -0.090 4.230 4.320 0.001 0.000 0.205 1002 K C 1.890 178.570 176.600 0.132 0.000 1.050 1002 K CA 1.446 57.905 56.287 0.287 0.000 0.938 1002 K CB -0.290 32.373 32.500 0.271 0.000 0.718 1002 K HN 0.339 nan 8.250 nan 0.000 0.442 1003 L N 0.336 121.626 121.223 0.111 0.000 2.465 1003 L HA -0.029 4.311 4.340 0.001 0.000 0.224 1003 L C 0.191 177.073 176.870 0.019 0.000 1.145 1003 L CA 0.153 55.028 54.840 0.058 0.000 0.834 1003 L CB -0.624 41.468 42.059 0.055 0.000 0.944 1003 L HN 0.374 nan 8.230 nan 0.000 0.451 1004 N N 0.972 119.664 118.700 -0.014 0.000 2.862 1004 N HA -0.175 4.566 4.740 0.001 0.000 0.246 1004 N C -0.482 175.005 175.510 -0.039 0.000 1.101 1004 N CA 0.461 53.472 53.050 -0.065 0.000 0.679 1004 N CB -0.856 37.601 38.487 -0.049 0.000 0.986 1004 N HN 0.328 nan 8.380 nan 0.000 0.557 1005 K N 0.125 120.517 120.400 -0.014 0.000 2.877 1005 K HA 0.240 4.560 4.320 0.001 0.000 0.176 1005 K C -1.800 174.816 176.600 0.026 0.000 1.075 1005 K CA -1.361 54.928 56.287 0.004 0.000 0.939 1005 K CB 1.495 34.005 32.500 0.016 0.000 1.237 1005 K HN 0.127 nan 8.250 nan 0.000 0.607 1006 P HA -0.268 nan 4.420 nan 0.000 0.216 1006 P C 0.411 177.757 177.300 0.078 0.000 1.157 1006 P CA 1.452 64.586 63.100 0.056 0.000 0.880 1006 P CB 0.306 31.999 31.700 -0.012 0.000 0.791 1007 D N 0.214 120.638 120.400 0.040 0.000 2.127 1007 D HA -0.171 4.469 4.640 0.001 0.000 0.190 1007 D C 1.989 178.319 176.300 0.049 0.000 1.000 1007 D CA 1.372 55.397 54.000 0.042 0.000 0.839 1007 D CB -0.637 40.177 40.800 0.024 0.000 0.955 1007 D HN 0.221 nan 8.370 nan 0.000 0.446 1008 I N 1.070 121.661 120.570 0.035 0.000 2.756 1008 I HA -0.122 4.048 4.170 0.001 0.000 0.262 1008 I C 2.353 178.471 176.117 0.002 0.000 1.225 1008 I CA 0.503 61.813 61.300 0.017 0.000 1.472 1008 I CB -0.410 37.595 38.000 0.008 0.000 1.094 1008 I HN -0.077 nan 8.210 nan 0.000 0.454 1009 A N 0.422 123.274 122.820 0.053 0.000 1.911 1009 A HA 0.072 4.392 4.320 0.001 0.000 0.212 1009 A C 2.287 179.947 177.584 0.126 0.000 1.189 1009 A CA 0.723 52.793 52.037 0.055 0.000 0.639 1009 A CB -0.598 18.571 19.000 0.281 0.000 0.839 1009 A HN 0.305 nan 8.150 nan 0.000 0.449 1010 I N -0.224 120.494 120.570 0.246 0.000 2.264 1010 I HA -0.265 3.905 4.170 0.001 0.000 0.248 1010 I C 2.465 178.673 176.117 0.153 0.000 1.111 1010 I CA 1.760 63.233 61.300 0.287 0.000 1.382 1010 I CB -0.330 37.779 38.000 0.181 0.000 1.060 1010 I HN 0.510 nan 8.210 nan 0.000 0.418 1011 E N 0.379 120.623 120.200 0.074 0.000 2.118 1011 E HA -0.239 4.111 4.350 0.001 0.000 0.195 1011 E C 2.347 178.942 176.600 -0.007 0.000 0.992 1011 E CA 1.732 58.162 56.400 0.049 0.000 0.804 1011 E CB 0.054 29.775 29.700 0.035 0.000 0.741 1011 E HN 0.539 nan 8.360 nan 0.000 0.458 1012 C N -0.395 118.820 119.300 -0.142 0.000 2.489 1012 C HA -0.041 4.419 4.460 0.001 0.000 0.279 1012 C C 2.265 177.064 174.990 -0.319 0.000 1.266 1012 C CA 0.292 59.132 59.018 -0.297 0.000 1.707 1012 C CB -1.190 26.216 27.740 -0.557 0.000 2.059 1012 C HN 0.457 nan 8.230 nan 0.000 0.481 1013 F N 1.248 121.123 119.950 -0.125 0.000 2.126 1013 F HA -0.169 4.358 4.527 0.001 0.000 0.299 1013 F C 2.735 178.413 175.800 -0.203 0.000 1.096 1013 F CA 1.247 59.147 58.000 -0.167 0.000 1.255 1013 F CB -0.513 38.415 39.000 -0.120 0.000 0.997 1013 F HN 0.133 nan 8.300 nan 0.000 0.479 1014 R N 0.554 121.039 120.500 -0.024 0.000 2.083 1014 R HA -0.221 4.119 4.340 0.001 0.000 0.237 1014 R C 2.097 178.120 176.300 -0.463 0.000 1.137 1014 R CA 1.798 57.728 56.100 -0.283 0.000 0.951 1014 R CB -0.962 29.285 30.300 -0.089 0.000 0.851 1014 R HN 0.424 nan 8.270 nan 0.000 0.434 1015 E N 0.570 120.706 120.200 -0.107 0.000 2.110 1015 E HA -0.144 4.206 4.350 0.001 0.000 0.193 1015 E C 1.799 178.320 176.600 -0.132 0.000 0.988 1015 E CA 1.280 57.697 56.400 0.028 0.000 0.804 1015 E CB -0.017 29.771 29.700 0.147 0.000 0.745 1015 E HN 0.331 nan 8.360 nan 0.000 0.458 1016 A N 0.706 123.432 122.820 -0.157 0.000 1.968 1016 A HA -0.040 4.280 4.320 0.001 0.000 0.217 1016 A C 2.130 179.598 177.584 -0.194 0.000 1.169 1016 A CA 0.816 52.767 52.037 -0.143 0.000 0.638 1016 A CB -0.412 18.516 19.000 -0.119 0.000 0.812 1016 A HN 0.349 nan 8.150 nan 0.000 0.446 1017 I N -1.651 118.746 120.570 -0.288 0.000 2.315 1017 I HA -0.280 3.890 4.170 0.001 0.000 0.248 1017 I C 2.284 178.201 176.117 -0.333 0.000 1.117 1017 I CA 1.346 62.456 61.300 -0.317 0.000 1.404 1017 I CB -0.413 37.357 38.000 -0.384 0.000 1.071 1017 I HN 0.456 nan 8.210 nan 0.000 0.419 1018 Y N 0.650 120.755 120.300 -0.324 0.000 2.163 1018 Y HA -0.175 4.376 4.550 0.001 0.000 0.288 1018 Y C 2.810 178.438 175.900 -0.453 0.000 1.136 1018 Y CA 0.749 58.525 58.100 -0.540 0.000 1.147 1018 Y CB -0.258 37.448 38.460 -1.257 0.000 0.987 1018 Y HN -0.017 nan 8.280 nan 0.000 0.509 1019 R N -0.158 120.205 120.500 -0.228 0.000 2.115 1019 R HA -0.141 4.199 4.340 0.001 0.000 0.230 1019 R C 2.009 178.251 176.300 -0.097 0.000 1.111 1019 R CA 1.089 57.129 56.100 -0.100 0.000 0.976 1019 R CB -0.198 30.079 30.300 -0.038 0.000 0.870 1019 R HN 0.337 nan 8.270 nan 0.000 0.445 1020 I N 0.470 120.968 120.570 -0.120 0.000 2.252 1020 I HA -0.210 3.960 4.170 0.001 0.000 0.245 1020 I C 1.909 177.955 176.117 -0.117 0.000 1.102 1020 I CA 1.524 62.749 61.300 -0.125 0.000 1.385 1020 I CB -1.082 36.829 38.000 -0.147 0.000 1.064 1020 I HN 0.173 nan 8.210 nan 0.000 0.414 1021 T N 1.758 116.254 114.554 -0.097 0.000 2.737 1021 T HA -0.118 4.232 4.350 0.001 0.000 0.269 1021 T C 1.474 176.142 174.700 -0.053 0.000 1.040 1021 T CA 1.067 63.133 62.100 -0.058 0.000 1.142 1021 T CB -0.201 68.667 68.868 0.001 0.000 0.861 1021 T HN 0.234 nan 8.240 nan 0.000 0.456 1022 L N 1.075 122.259 121.223 -0.065 0.000 3.108 1022 L HA 0.458 4.798 4.340 0.001 0.000 0.251 1022 L C -0.064 176.743 176.870 -0.105 0.000 1.315 1022 L CA -0.314 54.472 54.840 -0.091 0.000 1.048 1022 L CB 0.089 42.087 42.059 -0.102 0.000 1.432 1022 L HN 0.189 nan 8.230 nan 0.000 0.543 1023 L N 1.106 122.269 121.223 -0.101 0.000 2.416 1023 L HA 0.521 4.861 4.340 0.001 0.000 0.262 1023 L C -0.323 176.481 176.870 -0.110 0.000 1.093 1023 L CA -0.298 54.475 54.840 -0.110 0.000 0.801 1023 L CB 2.142 44.140 42.059 -0.102 0.000 1.191 1023 L HN 0.296 nan 8.230 nan 0.000 0.459 1024 M N 3.315 122.841 119.600 -0.124 0.000 2.151 1024 M HA 0.468 4.948 4.480 0.001 0.000 0.290 1024 M C -1.981 174.265 176.300 -0.089 0.000 0.965 1024 M CA -0.478 54.754 55.300 -0.113 0.000 0.930 1024 M CB 1.625 34.129 32.600 -0.161 0.000 1.560 1024 M HN 0.286 nan 8.290 nan 0.000 0.438 1025 V N 4.257 124.143 119.914 -0.047 0.000 2.823 1025 V HA 0.374 4.494 4.120 0.001 0.000 0.312 1025 V C -0.343 175.758 176.094 0.012 0.000 1.072 1025 V CA -0.369 61.919 62.300 -0.019 0.000 0.937 1025 V CB 2.250 34.064 31.823 -0.015 0.000 1.013 1025 V HN 0.986 nan 8.190 nan 0.000 0.430 1026 D N -0.031 120.390 120.400 0.034 0.000 2.525 1026 D HA 0.090 4.730 4.640 0.001 0.000 0.248 1026 D C 0.285 176.602 176.300 0.029 0.000 1.000 1026 D CA -0.058 53.970 54.000 0.047 0.000 0.923 1026 D CB 0.232 41.085 40.800 0.088 0.000 1.101 1026 D HN 0.461 nan 8.370 nan 0.000 0.493 1027 D N 0.181 120.597 120.400 0.027 0.000 2.398 1027 D HA 0.327 4.967 4.640 0.001 0.000 0.247 1027 D C 0.743 177.055 176.300 0.019 0.000 1.227 1027 D CA 0.040 54.052 54.000 0.019 0.000 0.980 1027 D CB 1.369 42.180 40.800 0.019 0.000 1.106 1027 D HN 0.225 nan 8.370 nan 0.000 0.493 1028 A N 0.276 123.106 122.820 0.017 0.000 2.197 1028 A HA -0.040 4.281 4.320 0.001 0.000 0.210 1028 A C 1.557 179.154 177.584 0.022 0.000 1.180 1028 A CA 0.120 52.168 52.037 0.019 0.000 0.846 1028 A CB 0.085 19.092 19.000 0.013 0.000 0.884 1028 A HN 0.355 nan 8.150 nan 0.000 0.487 1029 E N 1.565 121.777 120.200 0.019 0.000 2.072 1029 E HA -0.167 4.183 4.350 0.001 0.000 0.191 1029 E C 0.845 177.460 176.600 0.026 0.000 0.985 1029 E CA 1.334 57.746 56.400 0.020 0.000 0.801 1029 E CB -0.604 29.105 29.700 0.016 0.000 0.750 1029 E HN 0.558 nan 8.360 nan 0.000 0.452 1030 D N 0.990 121.404 120.400 0.023 0.000 2.144 1030 D HA -0.168 4.472 4.640 0.001 0.000 0.199 1030 D C 1.928 178.247 176.300 0.031 0.000 0.984 1030 D CA 1.241 55.253 54.000 0.020 0.000 0.834 1030 D CB -0.198 40.609 40.800 0.012 0.000 0.955 1030 D HN 0.441 nan 8.370 nan 0.000 0.465 1031 E N 1.208 121.435 120.200 0.045 0.000 2.106 1031 E HA -0.184 4.166 4.350 0.001 0.000 0.192 1031 E C 1.981 178.671 176.600 0.151 0.000 0.984 1031 E CA 0.946 57.397 56.400 0.084 0.000 0.806 1031 E CB 0.087 29.835 29.700 0.081 0.000 0.750 1031 E HN 0.140 nan 8.360 nan 0.000 0.458 1032 K N 0.755 121.211 120.400 0.093 0.000 2.002 1032 K HA -0.157 4.164 4.320 0.001 0.000 0.209 1032 K C 2.319 178.979 176.600 0.100 0.000 1.048 1032 K CA 1.337 57.674 56.287 0.083 0.000 0.930 1032 K CB -0.326 32.197 32.500 0.037 0.000 0.714 1032 K HN 0.301 nan 8.250 nan 0.000 0.438 1033 L N 0.841 122.103 121.223 0.064 0.000 2.012 1033 L HA -0.179 4.162 4.340 0.001 0.000 0.210 1033 L C 2.500 179.395 176.870 0.041 0.000 1.073 1033 L CA 1.714 56.582 54.840 0.047 0.000 0.748 1033 L CB -0.670 41.406 42.059 0.029 0.000 0.891 1033 L HN 0.407 nan 8.230 nan 0.000 0.431 1034 A N -0.517 122.315 122.820 0.021 0.000 1.903 1034 A HA -0.341 3.979 4.320 0.001 0.000 0.219 1034 A C 1.854 179.390 177.584 -0.081 0.000 1.191 1034 A CA 2.338 54.346 52.037 -0.050 0.000 0.638 1034 A CB -1.141 17.803 19.000 -0.093 0.000 0.823 1034 A HN 0.669 nan 8.150 nan 0.000 0.451 1035 H N -0.879 118.187 119.070 -0.008 0.000 2.389 1035 H HA -0.013 4.544 4.556 0.001 0.000 0.299 1035 H C 2.159 177.486 175.328 -0.002 0.000 1.081 1035 H CA 1.707 57.751 56.048 -0.006 0.000 1.345 1035 H CB 0.009 29.768 29.762 -0.004 0.000 1.393 1035 H HN 0.461 nan 8.280 nan 0.000 0.520 1036 K N 0.304 120.776 120.400 0.119 0.000 2.032 1036 K HA -0.146 4.175 4.320 0.001 0.000 0.209 1036 K C 2.037 178.668 176.600 0.051 0.000 1.048 1036 K CA 1.538 57.868 56.287 0.073 0.000 0.927 1036 K CB -0.145 32.389 32.500 0.057 0.000 0.712 1036 K HN 0.251 nan 8.250 nan 0.000 0.441 1037 I N 0.947 121.535 120.570 0.031 0.000 2.226 1037 I HA -0.290 3.880 4.170 0.001 0.000 0.245 1037 I C 2.328 178.445 176.117 0.001 0.000 1.100 1037 I CA 0.615 61.925 61.300 0.017 0.000 1.374 1037 I CB -0.244 37.751 38.000 -0.009 0.000 1.057 1037 I HN 0.174 nan 8.210 nan 0.000 0.413 1038 L N 0.919 122.127 121.223 -0.026 0.000 2.042 1038 L HA -0.211 4.129 4.340 0.001 0.000 0.210 1038 L C 2.473 179.338 176.870 -0.008 0.000 1.076 1038 L CA 1.905 56.719 54.840 -0.044 0.000 0.749 1038 L CB -0.890 41.115 42.059 -0.089 0.000 0.893 1038 L HN 0.186 nan 8.230 nan 0.000 0.432 1039 E N -0.513 119.700 120.200 0.022 0.000 2.012 1039 E HA -0.203 4.148 4.350 0.001 0.000 0.197 1039 E C 2.030 178.644 176.600 0.023 0.000 1.007 1039 E CA 2.098 58.514 56.400 0.027 0.000 0.816 1039 E CB -0.876 28.848 29.700 0.040 0.000 0.762 1039 E HN 0.517 nan 8.360 nan 0.000 0.451 1040 T N 1.959 116.542 114.554 0.048 0.000 2.624 1040 T HA -0.230 4.121 4.350 0.001 0.000 0.268 1040 T C 2.005 176.749 174.700 0.073 0.000 1.041 1040 T CA 2.108 64.265 62.100 0.095 0.000 1.159 1040 T CB -0.555 68.392 68.868 0.132 0.000 0.863 1040 T HN 0.350 nan 8.240 nan 0.000 0.434 1041 A N 2.416 125.242 122.820 0.011 0.000 1.915 1041 A HA -0.293 4.027 4.320 0.001 0.000 0.220 1041 A C 2.282 179.818 177.584 -0.079 0.000 1.198 1041 A CA 2.753 54.765 52.037 -0.042 0.000 0.647 1041 A CB -0.685 18.324 19.000 0.016 0.000 0.825 1041 A HN 0.721 nan 8.150 nan 0.000 0.456 1042 R N -0.920 119.557 120.500 -0.038 0.000 2.148 1042 R HA 0.010 4.350 4.340 0.001 0.000 0.223 1042 R C 1.552 177.823 176.300 -0.048 0.000 1.088 1042 R CA 1.412 57.489 56.100 -0.038 0.000 0.985 1042 R CB -0.338 29.946 30.300 -0.026 0.000 0.880 1042 R HN 0.403 nan 8.270 nan 0.000 0.451 1043 E N 0.213 120.385 120.200 -0.047 0.000 2.150 1043 E HA -0.155 4.196 4.350 0.001 0.000 0.193 1043 E C 1.350 177.848 176.600 -0.170 0.000 0.985 1043 E CA 1.145 57.489 56.400 -0.093 0.000 0.814 1043 E CB -0.146 29.495 29.700 -0.099 0.000 0.752 1043 E HN 0.496 nan 8.360 nan 0.000 0.466 1044 Y N 0.301 120.407 120.300 -0.325 0.000 2.314 1044 Y HA 0.035 4.585 4.550 0.001 0.000 0.294 1044 Y C 2.281 178.001 175.900 -0.300 0.000 1.119 1044 Y CA 0.451 58.279 58.100 -0.452 0.000 1.179 1044 Y CB -0.099 37.670 38.460 -1.151 0.000 1.025 1044 Y HN -0.049 nan 8.280 nan 0.000 0.541 1045 I N -0.474 120.032 120.570 -0.107 0.000 2.226 1045 I HA -0.310 3.860 4.170 0.001 0.000 0.245 1045 I C 2.458 178.590 176.117 0.025 0.000 1.100 1045 I CA 1.151 62.458 61.300 0.011 0.000 1.374 1045 I CB -0.355 37.665 38.000 0.033 0.000 1.057 1045 I HN 0.253 nan 8.210 nan 0.000 0.413 1046 L N 0.875 122.100 121.223 0.004 0.000 2.017 1046 L HA -0.143 4.197 4.340 0.001 0.000 0.208 1046 L C 2.459 179.322 176.870 -0.012 0.000 1.073 1046 L CA 2.319 57.174 54.840 0.025 0.000 0.745 1046 L CB -1.130 40.931 42.059 0.003 0.000 0.894 1046 L HN 0.292 nan 8.230 nan 0.000 0.432 1047 G N 0.058 108.854 108.800 -0.007 0.000 2.440 1047 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 1047 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 1047 G C 1.645 176.463 174.900 -0.137 0.000 1.154 1047 G CA 0.830 45.974 45.100 0.074 0.000 0.767 1047 G HN 0.393 nan 8.290 nan 0.000 0.552 1048 L N 0.604 121.797 121.223 -0.050 0.000 2.109 1048 L HA -0.030 4.311 4.340 0.001 0.000 0.207 1048 L C 3.166 179.917 176.870 -0.197 0.000 1.086 1048 L CA 0.953 55.717 54.840 -0.127 0.000 0.760 1048 L CB -0.266 41.848 42.059 0.092 0.000 0.910 1048 L HN 0.159 nan 8.230 nan 0.000 0.437 1049 S N 0.112 115.748 115.700 -0.107 0.000 2.400 1049 S HA -0.150 4.320 4.470 0.001 0.000 0.232 1049 S C 1.898 176.320 174.600 -0.297 0.000 1.025 1049 S CA 1.265 59.417 58.200 -0.080 0.000 0.993 1049 S CB -0.248 63.002 63.200 0.083 0.000 0.808 1049 S HN 0.305 nan 8.310 nan 0.000 0.478 1050 I N 0.974 121.244 120.570 -0.499 0.000 2.193 1050 I HA -0.123 4.047 4.170 0.001 0.000 0.240 1050 I C 2.669 178.446 176.117 -0.568 0.000 1.084 1050 I CA 1.233 62.087 61.300 -0.744 0.000 1.365 1050 I CB -0.363 37.292 38.000 -0.575 0.000 1.064 1050 I HN 0.221 nan 8.210 nan 0.000 0.410 1051 E N 1.663 121.435 120.200 -0.712 0.000 2.118 1051 E HA -0.214 4.137 4.350 0.001 0.000 0.195 1051 E C 2.143 178.520 176.600 -0.372 0.000 0.992 1051 E CA 1.506 57.496 56.400 -0.682 0.000 0.804 1051 E CB -0.298 28.833 29.700 -0.949 0.000 0.741 1051 E HN 0.393 nan 8.360 nan 0.000 0.458 1052 L N 0.131 121.177 121.223 -0.294 0.000 1.994 1052 L HA -0.171 4.169 4.340 0.001 0.000 0.208 1052 L C 2.675 179.464 176.870 -0.135 0.000 1.071 1052 L CA 1.929 56.669 54.840 -0.167 0.000 0.745 1052 L CB -0.490 41.507 42.059 -0.103 0.000 0.892 1052 L HN 0.276 nan 8.230 nan 0.000 0.431 1053 E N -0.213 119.899 120.200 -0.148 0.000 2.267 1053 E HA -0.251 4.100 4.350 0.001 0.000 0.197 1053 E C 2.343 178.887 176.600 -0.094 0.000 0.998 1053 E CA 0.820 57.174 56.400 -0.077 0.000 0.830 1053 E CB 0.081 29.765 29.700 -0.027 0.000 0.751 1053 E HN 0.161 nan 8.360 nan 0.000 0.491 1054 R N 0.467 120.871 120.500 -0.160 0.000 2.075 1054 R HA 0.008 4.348 4.340 0.001 0.000 0.226 1054 R C 2.016 178.255 176.300 -0.102 0.000 1.114 1054 R CA 1.118 57.136 56.100 -0.137 0.000 0.972 1054 R CB -0.052 30.139 30.300 -0.183 0.000 0.869 1054 R HN 0.170 nan 8.270 nan 0.000 0.437 1055 R N 0.360 120.795 120.500 -0.108 0.000 2.189 1055 R HA -0.039 4.302 4.340 0.001 0.000 0.223 1055 R C 1.829 178.098 176.300 -0.051 0.000 1.092 1055 R CA 1.405 57.459 56.100 -0.077 0.000 0.989 1055 R CB -0.134 30.118 30.300 -0.081 0.000 0.876 1055 R HN 0.211 nan 8.270 nan 0.000 0.457 1056 S N 0.187 115.859 115.700 -0.046 0.000 2.701 1056 S HA 0.126 4.596 4.470 0.001 0.000 0.220 1056 S C 0.567 175.157 174.600 -0.017 0.000 0.954 1056 S CA -0.117 58.069 58.200 -0.024 0.000 0.936 1056 S CB -0.143 63.050 63.200 -0.012 0.000 0.777 1056 S HN 0.095 nan 8.310 nan 0.000 0.518 1057 L N 1.942 123.151 121.223 -0.024 0.000 2.307 1057 L HA 0.481 4.821 4.340 0.001 0.000 0.282 1057 L C 0.201 177.063 176.870 -0.014 0.000 1.051 1057 L CA -0.842 53.987 54.840 -0.018 0.000 0.804 1057 L CB 1.071 43.114 42.059 -0.027 0.000 1.197 1057 L HN 0.033 nan 8.230 nan 0.000 0.431 1058 K N 3.210 123.606 120.400 -0.007 0.000 2.174 1058 K HA 0.194 4.514 4.320 0.001 0.000 0.275 1058 K C -0.013 176.585 176.600 -0.002 0.000 1.015 1058 K CA -0.521 55.764 56.287 -0.004 0.000 0.933 1058 K CB 1.055 33.554 32.500 -0.000 0.000 1.025 1058 K HN 0.570 nan 8.250 nan 0.000 0.463 1059 E N 0.118 120.319 120.200 0.001 0.000 2.485 1059 E HA -0.006 4.344 4.350 0.001 0.000 0.266 1059 E C 0.659 177.263 176.600 0.007 0.000 1.090 1059 E CA 0.628 57.032 56.400 0.007 0.000 0.987 1059 E CB 0.096 29.802 29.700 0.010 0.000 0.974 1059 E HN 0.785 nan 8.360 nan 0.000 0.455 1060 G N 1.985 110.791 108.800 0.011 0.000 2.232 1060 G HA2 -0.262 3.699 3.960 0.001 0.000 0.226 1060 G HA3 -0.262 3.699 3.960 0.001 0.000 0.226 1060 G C 0.667 175.570 174.900 0.005 0.000 0.996 1060 G CA 0.175 45.280 45.100 0.009 0.000 0.626 1060 G HN 0.547 nan 8.290 nan 0.000 0.509 1061 N N 1.358 120.056 118.700 -0.003 0.000 2.251 1061 N HA 0.090 4.830 4.740 0.001 0.000 0.217 1061 N C 2.169 177.658 175.510 -0.035 0.000 1.124 1061 N CA 1.145 54.188 53.050 -0.012 0.000 0.843 1061 N CB -0.001 38.480 38.487 -0.010 0.000 1.024 1061 N HN 0.612 nan 8.380 nan 0.000 0.501 1062 T N -2.648 111.885 114.554 -0.035 0.000 2.896 1062 T HA -0.135 4.216 4.350 0.001 0.000 0.270 1062 T C 1.929 176.548 174.700 -0.135 0.000 1.104 1062 T CA 1.132 63.176 62.100 -0.092 0.000 1.115 1062 T CB -0.453 68.401 68.868 -0.022 0.000 0.843 1062 T HN -0.080 nan 8.240 nan 0.000 0.523 1063 V N 1.450 121.321 119.914 -0.071 0.000 2.323 1063 V HA -0.025 4.095 4.120 0.001 0.000 0.244 1063 V C 2.827 178.879 176.094 -0.069 0.000 1.041 1063 V CA 1.782 64.045 62.300 -0.061 0.000 1.025 1063 V CB -0.789 31.026 31.823 -0.013 0.000 0.656 1063 V HN 0.409 nan 8.190 nan 0.000 0.451 1064 R N 1.481 121.950 120.500 -0.051 0.000 2.090 1064 R HA -0.106 4.234 4.340 0.001 0.000 0.228 1064 R C 2.154 178.395 176.300 -0.098 0.000 1.110 1064 R CA 2.079 58.153 56.100 -0.043 0.000 0.973 1064 R CB -0.786 29.512 30.300 -0.004 0.000 0.869 1064 R HN 0.609 nan 8.270 nan 0.000 0.440 1065 M N -0.595 118.934 119.600 -0.120 0.000 2.213 1065 M HA -0.002 4.478 4.480 0.001 0.000 0.263 1065 M C 1.328 177.499 176.300 -0.215 0.000 1.062 1065 M CA 1.774 56.981 55.300 -0.154 0.000 1.105 1065 M CB -0.348 32.164 32.600 -0.147 0.000 1.385 1065 M HN 0.166 nan 8.290 nan 0.000 0.417 1066 L N -0.393 120.671 121.223 -0.265 0.000 2.240 1066 L HA -0.020 4.320 4.340 0.001 0.000 0.211 1066 L C 2.524 179.277 176.870 -0.194 0.000 1.106 1066 L CA 1.217 55.863 54.840 -0.324 0.000 0.793 1066 L CB -0.701 41.068 42.059 -0.483 0.000 0.927 1066 L HN 0.506 nan 8.230 nan 0.000 0.446 1067 E N 0.556 120.613 120.200 -0.237 0.000 2.047 1067 E HA -0.201 4.150 4.350 0.001 0.000 0.191 1067 E C 2.354 178.475 176.600 -0.799 0.000 0.987 1067 E CA 1.008 57.146 56.400 -0.437 0.000 0.799 1067 E CB 0.109 29.666 29.700 -0.238 0.000 0.752 1067 E HN 0.405 nan 8.360 nan 0.000 0.449 1068 L N 0.135 121.108 121.223 -0.417 0.000 2.005 1068 L HA -0.104 4.236 4.340 0.001 0.000 0.207 1068 L C 2.592 179.320 176.870 -0.236 0.000 1.072 1068 L CA 0.956 55.620 54.840 -0.292 0.000 0.744 1068 L CB -0.487 41.467 42.059 -0.174 0.000 0.895 1068 L HN 0.166 nan 8.230 nan 0.000 0.433 1069 A N -0.130 122.573 122.820 -0.195 0.000 2.139 1069 A HA -0.140 4.181 4.320 0.001 0.000 0.221 1069 A C 2.345 179.788 177.584 -0.236 0.000 1.159 1069 A CA 1.750 53.712 52.037 -0.125 0.000 0.662 1069 A CB -0.519 18.419 19.000 -0.104 0.000 0.796 1069 A HN 0.467 nan 8.150 nan 0.000 0.463 1070 A N -1.685 120.922 122.820 -0.355 0.000 1.924 1070 A HA 0.154 4.474 4.320 0.001 0.000 0.211 1070 A C 1.961 179.341 177.584 -0.340 0.000 1.198 1070 A CA 0.758 52.437 52.037 -0.597 0.000 0.657 1070 A CB -0.555 17.954 19.000 -0.817 0.000 0.852 1070 A HN 0.603 nan 8.150 nan 0.000 0.454 1071 Y N -1.898 118.295 120.300 -0.179 0.000 2.274 1071 Y HA -0.210 4.340 4.550 0.001 0.000 0.290 1071 Y C 2.218 178.120 175.900 0.003 0.000 1.145 1071 Y CA 0.713 58.777 58.100 -0.061 0.000 1.203 1071 Y CB -0.245 38.178 38.460 -0.062 0.000 0.984 1071 Y HN 0.431 nan 8.280 nan 0.000 0.533 1072 F N 1.250 121.169 119.950 -0.051 0.000 2.202 1072 F HA -0.223 4.304 4.527 0.001 0.000 0.301 1072 F C 2.145 177.890 175.800 -0.092 0.000 1.082 1072 F CA 1.628 59.566 58.000 -0.104 0.000 1.313 1072 F CB -1.047 37.862 39.000 -0.152 0.000 1.024 1072 F HN -0.166 nan 8.300 nan 0.000 0.495 1073 T N 0.087 114.574 114.554 -0.113 0.000 3.007 1073 T HA -0.124 4.226 4.350 0.001 0.000 0.270 1073 T C 1.935 176.637 174.700 0.002 0.000 1.107 1073 T CA 0.833 62.819 62.100 -0.190 0.000 1.118 1073 T CB -0.170 68.587 68.868 -0.185 0.000 0.889 1073 T HN 0.041 nan 8.240 nan 0.000 0.506 1074 K N 1.042 121.501 120.400 0.099 0.000 2.404 1074 K HA 0.315 4.636 4.320 0.001 0.000 0.194 1074 K C 0.543 177.155 176.600 0.021 0.000 1.023 1074 K CA -0.147 56.215 56.287 0.125 0.000 1.094 1074 K CB 0.167 32.754 32.500 0.145 0.000 0.841 1074 K HN 0.258 nan 8.250 nan 0.000 0.523 1075 A N 1.856 124.666 122.820 -0.016 0.000 2.395 1075 A HA 0.109 4.430 4.320 0.001 0.000 0.286 1075 A C -0.119 177.384 177.584 -0.136 0.000 1.193 1075 A CA -0.082 51.917 52.037 -0.064 0.000 0.852 1075 A CB -0.103 18.883 19.000 -0.025 0.000 1.118 1075 A HN 0.096 nan 8.150 nan 0.000 0.524 1076 K N 3.363 123.695 120.400 -0.113 0.000 2.307 1076 K HA 0.089 4.409 4.320 0.001 0.000 0.219 1076 K C -0.143 176.347 176.600 -0.183 0.000 1.220 1076 K CA 0.249 56.468 56.287 -0.113 0.000 1.208 1076 K CB -0.755 31.709 32.500 -0.059 0.000 1.270 1076 K HN 0.644 nan 8.250 nan 0.000 0.225 1077 L N 0.001 121.043 121.223 -0.303 0.000 2.567 1077 L HA 0.205 4.545 4.340 0.001 0.000 0.238 1077 L C 1.034 177.803 176.870 -0.168 0.000 1.168 1077 L CA -0.851 53.712 54.840 -0.463 0.000 0.817 1077 L CB 0.474 42.102 42.059 -0.719 0.000 1.409 1077 L HN 0.279 nan 8.230 nan 0.000 0.502 1078 S N -0.162 115.520 115.700 -0.031 0.000 2.584 1078 S HA 0.225 4.695 4.470 0.001 0.000 0.273 1078 S C -1.589 172.958 174.600 -0.087 0.000 1.311 1078 S CA -1.111 57.078 58.200 -0.019 0.000 1.034 1078 S CB 1.138 64.348 63.200 0.016 0.000 0.939 1078 S HN 0.470 nan 8.310 nan 0.000 0.513 1079 P HA -0.250 nan 4.420 nan 0.000 0.214 1079 P C 1.825 179.005 177.300 -0.199 0.000 1.169 1079 P CA 1.421 64.432 63.100 -0.149 0.000 0.908 1079 P CB -0.188 31.433 31.700 -0.132 0.000 0.791 1080 I N -0.607 119.821 120.570 -0.237 0.000 2.181 1080 I HA -0.332 3.839 4.170 0.001 0.000 0.247 1080 I C 2.103 178.028 176.117 -0.321 0.000 1.081 1080 I CA 2.088 63.197 61.300 -0.318 0.000 1.340 1080 I CB -0.533 37.216 38.000 -0.418 0.000 1.036 1080 I HN -0.006 nan 8.210 nan 0.000 0.417 1081 H N -0.282 118.719 119.070 -0.116 0.000 2.465 1081 H HA 0.046 4.602 4.556 0.001 0.000 0.289 1081 H C 2.239 177.538 175.328 -0.047 0.000 1.022 1081 H CA 0.749 56.775 56.048 -0.037 0.000 1.340 1081 H CB -0.025 29.573 29.762 -0.273 0.000 1.437 1081 H HN 0.262 nan 8.280 nan 0.000 0.539 1082 R N 0.670 121.120 120.500 -0.083 0.000 2.249 1082 R HA -0.129 4.211 4.340 0.001 0.000 0.230 1082 R C 1.361 177.537 176.300 -0.208 0.000 1.121 1082 R CA 1.333 57.318 56.100 -0.191 0.000 0.997 1082 R CB -0.107 30.073 30.300 -0.200 0.000 0.867 1082 R HN 0.244 nan 8.270 nan 0.000 0.465 1083 T N 0.968 115.400 114.554 -0.202 0.000 2.635 1083 T HA -0.144 4.206 4.350 0.001 0.000 0.267 1083 T C 1.206 175.868 174.700 -0.064 0.000 1.040 1083 T CA 2.015 63.935 62.100 -0.299 0.000 1.156 1083 T CB -0.314 68.319 68.868 -0.392 0.000 0.863 1083 T HN 0.463 nan 8.240 nan 0.000 0.430 1084 N N 1.268 119.979 118.700 0.019 0.000 2.289 1084 N HA 0.036 4.777 4.740 0.001 0.000 0.184 1084 N C 1.812 177.292 175.510 -0.049 0.000 1.016 1084 N CA 1.007 54.096 53.050 0.065 0.000 0.872 1084 N CB -0.330 38.233 38.487 0.127 0.000 0.973 1084 N HN 0.440 nan 8.380 nan 0.000 0.433 1085 A N 0.525 123.158 122.820 -0.311 0.000 1.874 1085 A HA 0.051 4.371 4.320 0.001 0.000 0.214 1085 A C 2.114 179.441 177.584 -0.428 0.000 1.189 1085 A CA 0.668 52.222 52.037 -0.805 0.000 0.615 1085 A CB -0.602 17.554 19.000 -1.406 0.000 0.830 1085 A HN 0.172 nan 8.150 nan 0.000 0.443 1086 L N -0.790 120.270 121.223 -0.273 0.000 2.017 1086 L HA -0.258 4.082 4.340 0.001 0.000 0.208 1086 L C 2.909 179.742 176.870 -0.061 0.000 1.073 1086 L CA 1.915 56.656 54.840 -0.164 0.000 0.745 1086 L CB -0.596 41.498 42.059 0.059 0.000 0.894 1086 L HN 0.557 nan 8.230 nan 0.000 0.432 1087 Q N -0.131 119.727 119.800 0.097 0.000 2.096 1087 Q HA -0.200 4.140 4.340 0.001 0.000 0.204 1087 Q C 2.265 178.254 176.000 -0.019 0.000 0.982 1087 Q CA 1.854 57.688 55.803 0.051 0.000 0.850 1087 Q CB 0.049 28.871 28.738 0.140 0.000 0.901 1087 Q HN 0.346 nan 8.270 nan 0.000 0.422 1088 V N 0.575 120.475 119.914 -0.023 0.000 2.358 1088 V HA -0.269 3.851 4.120 0.001 0.000 0.246 1088 V C 2.245 178.301 176.094 -0.064 0.000 1.047 1088 V CA 1.800 64.095 62.300 -0.008 0.000 1.035 1088 V CB -0.959 30.909 31.823 0.076 0.000 0.658 1088 V HN 0.510 nan 8.190 nan 0.000 0.452 1089 A N -0.047 122.642 122.820 -0.218 0.000 1.832 1089 A HA -0.220 4.101 4.320 0.001 0.000 0.214 1089 A C 2.315 179.817 177.584 -0.136 0.000 1.200 1089 A CA 2.067 53.865 52.037 -0.398 0.000 0.610 1089 A CB -0.674 17.580 19.000 -1.244 0.000 0.842 1089 A HN 0.447 nan 8.150 nan 0.000 0.444 1090 M N 1.187 120.710 119.600 -0.128 0.000 2.108 1090 M HA -0.220 4.260 4.480 0.001 0.000 0.257 1090 M C 2.098 178.502 176.300 0.172 0.000 1.071 1090 M CA 2.848 58.245 55.300 0.162 0.000 1.093 1090 M CB -0.547 32.093 32.600 0.067 0.000 1.345 1090 M HN 0.558 nan 8.290 nan 0.000 0.403 1091 S N -0.659 115.092 115.700 0.084 0.000 2.436 1091 S HA -0.056 4.414 4.470 0.001 0.000 0.228 1091 S C 1.701 176.416 174.600 0.191 0.000 1.014 1091 S CA 0.444 58.714 58.200 0.117 0.000 0.950 1091 S CB -0.276 62.947 63.200 0.039 0.000 0.784 1091 S HN 0.577 nan 8.310 nan 0.000 0.504 1092 Q N 0.755 120.641 119.800 0.143 0.000 2.269 1092 Q HA 0.069 4.410 4.340 0.001 0.000 0.201 1092 Q C 1.448 177.467 176.000 0.031 0.000 0.946 1092 Q CA 1.203 57.050 55.803 0.075 0.000 0.877 1092 Q CB -0.462 28.243 28.738 -0.055 0.000 0.963 1092 Q HN 0.749 nan 8.270 nan 0.000 0.472 1093 H N -1.109 118.020 119.070 0.097 0.000 2.529 1093 H HA 0.008 4.565 4.556 0.001 0.000 0.277 1093 H C 1.256 176.607 175.328 0.037 0.000 0.999 1093 H CA 0.483 56.581 56.048 0.084 0.000 1.256 1093 H CB 0.030 29.912 29.762 0.200 0.000 1.402 1093 H HN 0.115 nan 8.280 nan 0.000 0.566 1094 F N 1.644 121.633 119.950 0.065 0.000 2.037 1094 F HA -0.070 4.457 4.527 0.001 0.000 0.291 1094 F C 2.031 177.770 175.800 -0.101 0.000 1.137 1094 F CA 1.337 59.320 58.000 -0.028 0.000 1.178 1094 F CB -0.211 38.852 39.000 0.106 0.000 0.995 1094 F HN -0.171 nan 8.300 nan 0.000 0.472 1095 K N -0.905 119.572 120.400 0.128 0.000 2.227 1095 K HA -0.268 4.052 4.320 0.001 0.000 0.208 1095 K C 0.192 176.679 176.600 -0.188 0.000 1.045 1095 K CA 1.981 58.275 56.287 0.012 0.000 0.931 1095 K CB -0.556 32.036 32.500 0.153 0.000 0.721 1095 K HN 0.423 nan 8.250 nan 0.000 0.469 1096 H N -0.084 118.838 119.070 -0.247 0.000 2.476 1096 H HA 0.186 4.742 4.556 0.001 0.000 0.256 1096 H C -0.587 174.525 175.328 -0.361 0.000 1.321 1096 H CA -0.468 55.431 56.048 -0.247 0.000 1.056 1096 H CB 0.437 30.076 29.762 -0.206 0.000 1.643 1096 H HN 0.008 nan 8.280 nan 0.000 0.541 1097 K N 1.323 121.426 120.400 -0.495 0.000 3.196 1097 K HA -0.283 4.038 4.320 0.001 0.000 0.261 1097 K C -0.290 175.880 176.600 -0.716 0.000 0.872 1097 K CA 0.291 56.083 56.287 -0.825 0.000 0.645 1097 K CB -0.778 31.601 32.500 -0.201 0.000 1.433 1097 K HN 0.386 nan 8.250 nan 0.000 0.471 1098 N N 0.943 119.258 118.700 -0.641 0.000 2.761 1098 N HA 0.113 4.854 4.740 0.001 0.000 0.317 1098 N C -0.155 175.296 175.510 -0.099 0.000 1.546 1098 N CA -0.382 52.545 53.050 -0.204 0.000 1.015 1098 N CB -0.042 38.449 38.487 0.008 0.000 1.343 1098 N HN 0.199 nan 8.380 nan 0.000 0.504 1099 F N -0.287 119.745 119.950 0.137 0.000 2.667 1099 F HA -0.086 4.441 4.527 0.001 0.000 0.295 1099 F C 1.834 177.724 175.800 0.151 0.000 1.185 1099 F CA 0.097 58.200 58.000 0.172 0.000 1.479 1099 F CB -0.055 39.023 39.000 0.130 0.000 1.116 1099 F HN 0.234 nan 8.300 nan 0.000 0.606 1100 L N -0.443 120.927 121.223 0.246 0.000 2.179 1100 L HA -0.097 4.243 4.340 0.001 0.000 0.208 1100 L C 2.098 179.052 176.870 0.139 0.000 1.096 1100 L CA 1.649 56.598 54.840 0.181 0.000 0.779 1100 L CB -0.326 41.818 42.059 0.142 0.000 0.922 1100 L HN -0.017 nan 8.230 nan 0.000 0.443 1101 Q N -1.044 118.830 119.800 0.124 0.000 2.159 1101 Q HA 0.216 4.556 4.340 0.001 0.000 0.194 1101 Q C 2.270 178.280 176.000 0.017 0.000 0.968 1101 Q CA 1.443 57.198 55.803 -0.080 0.000 0.837 1101 Q CB -0.690 27.906 28.738 -0.236 0.000 0.920 1101 Q HN 0.438 nan 8.270 nan 0.000 0.485 1102 A N 0.298 123.275 122.820 0.261 0.000 1.944 1102 A HA -0.353 3.968 4.320 0.001 0.000 0.222 1102 A C 2.263 180.015 177.584 0.281 0.000 1.237 1102 A CA 2.552 54.813 52.037 0.374 0.000 0.668 1102 A CB -1.290 18.009 19.000 0.497 0.000 0.830 1102 A HN 0.376 nan 8.150 nan 0.000 0.471 1103 S N -2.318 113.539 115.700 0.260 0.000 2.345 1103 S HA -0.159 4.312 4.470 0.001 0.000 0.220 1103 S C 1.869 176.563 174.600 0.156 0.000 1.031 1103 S CA 1.494 59.815 58.200 0.201 0.000 0.996 1103 S CB -0.596 62.725 63.200 0.202 0.000 0.882 1103 S HN 0.713 nan 8.310 nan 0.000 0.445 1104 Y N 1.925 122.205 120.300 -0.034 0.000 1.993 1104 Y HA -0.236 4.314 4.550 0.001 0.000 0.267 1104 Y C 1.766 177.634 175.900 -0.053 0.000 1.155 1104 Y CA 1.978 60.005 58.100 -0.121 0.000 1.105 1104 Y CB -1.393 36.870 38.460 -0.328 0.000 0.960 1104 Y HN 0.331 nan 8.280 nan 0.000 0.486 1105 F N 0.399 120.173 119.950 -0.294 0.000 2.043 1105 F HA -0.249 4.279 4.527 0.001 0.000 0.297 1105 F C 2.838 178.538 175.800 -0.166 0.000 1.118 1105 F CA 1.656 59.425 58.000 -0.385 0.000 1.202 1105 F CB -1.693 37.175 39.000 -0.220 0.000 0.965 1105 F HN 0.198 nan 8.300 nan 0.000 0.482 1106 A N 0.376 123.264 122.820 0.113 0.000 1.903 1106 A HA -0.178 4.143 4.320 0.001 0.000 0.219 1106 A C 2.615 180.230 177.584 0.051 0.000 1.191 1106 A CA 2.278 54.321 52.037 0.010 0.000 0.638 1106 A CB -1.655 17.326 19.000 -0.031 0.000 0.823 1106 A HN 0.450 nan 8.150 nan 0.000 0.451 1107 G N -0.961 107.875 108.800 0.060 0.000 2.404 1107 G HA2 -0.208 3.753 3.960 0.001 0.000 0.215 1107 G HA3 -0.208 3.753 3.960 0.001 0.000 0.215 1107 G C 1.401 176.353 174.900 0.087 0.000 1.174 1107 G CA 1.212 46.360 45.100 0.080 0.000 0.780 1107 G HN 0.519 nan 8.290 nan 0.000 0.537 1108 E N -0.188 120.025 120.200 0.022 0.000 2.267 1108 E HA -0.102 4.249 4.350 0.001 0.000 0.197 1108 E C 1.798 178.434 176.600 0.060 0.000 0.998 1108 E CA 0.627 57.019 56.400 -0.013 0.000 0.830 1108 E CB -0.345 29.217 29.700 -0.230 0.000 0.751 1108 E HN 0.560 nan 8.360 nan 0.000 0.491 1109 F N -0.613 119.299 119.950 -0.063 0.000 2.188 1109 F HA 0.061 4.588 4.527 0.001 0.000 0.289 1109 F C 1.739 177.516 175.800 -0.039 0.000 1.082 1109 F CA 0.396 58.362 58.000 -0.055 0.000 1.282 1109 F CB -0.059 38.909 39.000 -0.053 0.000 1.060 1109 F HN -0.070 nan 8.300 nan 0.000 0.493 1110 L N 1.353 122.885 121.223 0.516 0.000 2.189 1110 L HA -0.247 4.094 4.340 0.001 0.000 0.214 1110 L C 1.727 178.688 176.870 0.152 0.000 1.097 1110 L CA 1.678 56.720 54.840 0.336 0.000 0.764 1110 L CB -0.738 41.418 42.059 0.160 0.000 0.900 1110 L HN 0.261 nan 8.230 nan 0.000 0.436 1111 K N -0.150 120.306 120.400 0.095 0.000 2.665 1111 K HA 0.111 4.432 4.320 0.001 0.000 0.214 1111 K C 0.784 177.372 176.600 -0.020 0.000 1.032 1111 K CA 0.492 56.800 56.287 0.034 0.000 1.198 1111 K CB 0.101 32.621 32.500 0.033 0.000 0.941 1111 K HN 0.347 nan 8.250 nan 0.000 0.491 1112 I N -0.120 120.414 120.570 -0.060 0.000 4.827 1112 I HA 0.180 4.350 4.170 0.001 0.000 0.362 1112 I C -0.650 175.373 176.117 -0.157 0.000 1.237 1112 I CA -0.345 60.871 61.300 -0.139 0.000 1.366 1112 I CB 0.952 38.809 38.000 -0.238 0.000 1.742 1112 I HN 0.113 nan 8.210 nan 0.000 0.588 1113 I N 0.831 121.350 120.570 -0.085 0.000 2.540 1113 I HA 0.198 4.368 4.170 0.001 0.000 0.280 1113 I C 1.068 177.231 176.117 0.076 0.000 1.083 1113 I CA 0.170 61.460 61.300 -0.017 0.000 1.080 1113 I CB 1.482 39.484 38.000 0.004 0.000 1.205 1113 I HN -0.084 nan 8.210 nan 0.000 0.459 1114 S N 4.789 120.510 115.700 0.035 0.000 2.502 1114 S HA -0.065 4.405 4.470 0.001 0.000 0.219 1114 S C 0.938 175.569 174.600 0.053 0.000 1.064 1114 S CA 1.674 59.897 58.200 0.038 0.000 1.173 1114 S CB 0.296 63.507 63.200 0.018 0.000 1.118 1114 S HN 0.689 nan 8.310 nan 0.000 0.406 1115 S N -1.160 114.564 115.700 0.040 0.000 2.599 1115 S HA 0.735 5.205 4.470 0.001 0.000 0.294 1115 S C -0.416 174.209 174.600 0.041 0.000 1.094 1115 S CA 0.133 58.357 58.200 0.039 0.000 0.931 1115 S CB 1.289 64.503 63.200 0.023 0.000 1.093 1115 S HN 1.239 nan 8.310 nan 0.000 0.488 1116 G N 1.915 110.739 108.800 0.040 0.000 2.336 1116 G HA2 0.292 4.253 3.960 0.001 0.000 0.300 1116 G HA3 0.292 4.253 3.960 0.001 0.000 0.300 1116 G C -2.767 172.153 174.900 0.033 0.000 1.375 1116 G CA -0.254 44.869 45.100 0.038 0.000 0.885 1116 G HN 0.460 nan 8.290 nan 0.000 0.599 1117 P HA -0.197 nan 4.420 nan 0.000 0.213 1117 P C 1.639 178.945 177.300 0.011 0.000 1.170 1117 P CA 1.591 64.701 63.100 0.016 0.000 0.898 1117 P CB 0.063 31.773 31.700 0.018 0.000 0.787 1118 R N 0.726 121.247 120.500 0.034 0.000 2.075 1118 R HA -0.048 4.292 4.340 0.001 0.000 0.232 1118 R C 2.243 178.532 176.300 -0.019 0.000 1.126 1118 R CA 1.700 57.813 56.100 0.022 0.000 0.963 1118 R CB -1.122 29.236 30.300 0.097 0.000 0.858 1118 R HN 0.057 nan 8.270 nan 0.000 0.435 1119 A N 1.174 124.048 122.820 0.089 0.000 2.019 1119 A HA -0.159 4.161 4.320 0.001 0.000 0.219 1119 A C 1.938 179.504 177.584 -0.030 0.000 1.164 1119 A CA 1.524 53.626 52.037 0.108 0.000 0.644 1119 A CB -0.362 18.765 19.000 0.212 0.000 0.805 1119 A HN 0.573 nan 8.150 nan 0.000 0.449 1120 E N -0.966 119.218 120.200 -0.026 0.000 2.152 1120 E HA -0.202 4.149 4.350 0.001 0.000 0.192 1120 E C 2.225 178.772 176.600 -0.088 0.000 0.983 1120 E CA 1.035 57.410 56.400 -0.042 0.000 0.818 1120 E CB -0.084 29.602 29.700 -0.023 0.000 0.758 1120 E HN 0.799 nan 8.360 nan 0.000 0.467 1121 Q N 0.269 119.996 119.800 -0.121 0.000 2.167 1121 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 1121 Q C 2.078 177.939 176.000 -0.231 0.000 0.970 1121 Q CA 1.105 56.812 55.803 -0.159 0.000 0.855 1121 Q CB -0.052 28.590 28.738 -0.160 0.000 0.911 1121 Q HN 0.227 nan 8.270 nan 0.000 0.438 1122 A N 1.320 123.951 122.820 -0.314 0.000 1.917 1122 A HA -0.250 4.070 4.320 0.001 0.000 0.219 1122 A C 2.057 179.510 177.584 -0.217 0.000 1.182 1122 A CA 1.634 53.437 52.037 -0.390 0.000 0.633 1122 A CB -0.470 18.153 19.000 -0.627 0.000 0.819 1122 A HN 0.399 nan 8.150 nan 0.000 0.448 1123 R N -0.678 119.735 120.500 -0.144 0.000 2.075 1123 R HA -0.118 4.222 4.340 0.001 0.000 0.230 1123 R C 2.387 178.638 176.300 -0.083 0.000 1.140 1123 R CA 1.669 57.721 56.100 -0.080 0.000 0.928 1123 R CB -0.426 29.846 30.300 -0.048 0.000 0.834 1123 R HN 0.516 nan 8.270 nan 0.000 0.429 1124 K N 0.749 121.094 120.400 -0.092 0.000 2.228 1124 K HA -0.165 4.155 4.320 0.001 0.000 0.205 1124 K C 1.921 178.448 176.600 -0.122 0.000 1.045 1124 K CA 1.358 57.594 56.287 -0.084 0.000 0.931 1124 K CB -0.039 32.412 32.500 -0.082 0.000 0.727 1124 K HN 0.199 nan 8.250 nan 0.000 0.458 1125 I N 0.104 120.547 120.570 -0.211 0.000 2.400 1125 I HA -0.189 3.982 4.170 0.001 0.000 0.248 1125 I C 2.449 178.497 176.117 -0.116 0.000 1.109 1125 I CA 0.689 61.779 61.300 -0.349 0.000 1.425 1125 I CB -0.174 37.510 38.000 -0.527 0.000 1.094 1125 I HN 0.126 nan 8.210 nan 0.000 0.425 1126 K N 1.399 121.760 120.400 -0.065 0.000 2.148 1126 K HA -0.142 4.179 4.320 0.001 0.000 0.204 1126 K C 1.513 178.139 176.600 0.044 0.000 1.050 1126 K CA 1.359 57.659 56.287 0.022 0.000 0.942 1126 K CB -0.062 32.444 32.500 0.010 0.000 0.724 1126 K HN 0.438 nan 8.250 nan 0.000 0.446 1127 N N 0.537 119.246 118.700 0.015 0.000 2.048 1127 N HA -0.125 4.616 4.740 0.001 0.000 0.193 1127 N C 1.634 177.158 175.510 0.022 0.000 1.061 1127 N CA 1.273 54.333 53.050 0.016 0.000 0.849 1127 N CB -0.062 38.425 38.487 0.001 0.000 1.044 1127 N HN 0.053 nan 8.380 nan 0.000 0.429 1128 K N 0.812 121.232 120.400 0.033 0.000 2.107 1128 K HA -0.221 4.099 4.320 0.001 0.000 0.211 1128 K C 2.166 178.747 176.600 -0.031 0.000 1.049 1128 K CA 1.537 57.842 56.287 0.030 0.000 0.927 1128 K CB -0.320 32.263 32.500 0.137 0.000 0.714 1128 K HN 0.225 nan 8.250 nan 0.000 0.452 1129 A N 1.845 124.742 122.820 0.127 0.000 1.873 1129 A HA -0.204 4.116 4.320 0.001 0.000 0.215 1129 A C 1.847 179.463 177.584 0.052 0.000 1.186 1129 A CA 1.716 53.839 52.037 0.143 0.000 0.616 1129 A CB -0.475 18.840 19.000 0.524 0.000 0.823 1129 A HN 0.207 nan 8.150 nan 0.000 0.442 1130 D N 0.336 120.780 120.400 0.074 0.000 2.228 1130 D HA -0.119 4.521 4.640 0.001 0.000 0.203 1130 D C 1.758 178.064 176.300 0.009 0.000 0.988 1130 D CA 1.649 55.683 54.000 0.056 0.000 0.864 1130 D CB -0.150 40.680 40.800 0.050 0.000 0.928 1130 D HN 0.555 nan 8.370 nan 0.000 0.469 1131 S N 0.112 115.789 115.700 -0.038 0.000 2.840 1131 S HA 0.089 4.560 4.470 0.001 0.000 0.235 1131 S C 0.971 175.516 174.600 -0.091 0.000 0.968 1131 S CA -0.353 57.813 58.200 -0.057 0.000 1.026 1131 S CB -0.654 62.510 63.200 -0.060 0.000 0.788 1131 S HN 0.328 nan 8.310 nan 0.000 0.487 1132 M N -1.661 117.885 119.600 -0.089 0.000 4.670 1132 M HA 0.405 4.885 4.480 0.001 0.000 0.540 1132 M C -0.374 175.945 176.300 0.031 0.000 2.001 1132 M CA -0.506 54.749 55.300 -0.075 0.000 0.488 1132 M CB -0.253 32.233 32.600 -0.190 0.000 3.002 1132 M HN 0.044 nan 8.290 nan 0.000 0.600 1133 A N 1.741 124.599 122.820 0.063 0.000 3.395 1133 A HA 0.242 4.562 4.320 0.001 0.000 0.280 1133 A C 0.766 178.433 177.584 0.139 0.000 2.142 1133 A CA 1.109 53.211 52.037 0.109 0.000 1.474 1133 A CB -0.694 18.347 19.000 0.067 0.000 0.834 1133 A HN 0.820 nan 8.150 nan 0.000 0.574 1134 S N 0.381 116.224 115.700 0.238 0.000 2.617 1134 S HA 0.344 4.814 4.470 0.001 0.000 0.269 1134 S C -0.004 174.697 174.600 0.168 0.000 1.292 1134 S CA -0.474 57.866 58.200 0.233 0.000 1.010 1134 S CB 0.531 63.974 63.200 0.404 0.000 0.944 1134 S HN 0.512 nan 8.310 nan 0.000 0.536 1135 D N 2.455 122.922 120.400 0.113 0.000 2.952 1135 D HA 0.324 4.965 4.640 0.001 0.000 0.373 1135 D C 1.249 177.586 176.300 0.063 0.000 1.360 1135 D CA -0.015 54.038 54.000 0.088 0.000 0.788 1135 D CB 0.471 41.316 40.800 0.076 0.000 1.192 1135 D HN 0.542 nan 8.370 nan 0.000 0.462 1136 A N 0.686 123.530 122.820 0.041 0.000 1.883 1136 A HA -0.228 4.093 4.320 0.001 0.000 0.222 1136 A C 0.868 178.467 177.584 0.025 0.000 1.339 1136 A CA 1.430 53.477 52.037 0.017 0.000 0.692 1136 A CB -0.332 18.649 19.000 -0.030 0.000 0.845 1136 A HN 0.369 nan 8.150 nan 0.000 0.467 1137 I N 0.307 120.893 120.570 0.026 0.000 2.476 1137 I HA 0.318 4.488 4.170 0.001 0.000 0.281 1137 I C -2.602 173.554 176.117 0.064 0.000 1.040 1137 I CA -2.188 59.131 61.300 0.032 0.000 1.094 1137 I CB 1.962 39.964 38.000 0.003 0.000 1.219 1137 I HN 0.086 nan 8.210 nan 0.000 0.450 1138 P HA 0.289 nan 4.420 nan 0.000 0.267 1138 P C -0.617 176.759 177.300 0.127 0.000 1.205 1138 P CA 0.228 63.393 63.100 0.108 0.000 0.765 1138 P CB 0.986 32.738 31.700 0.087 0.000 0.828 1139 I N 0.988 121.670 120.570 0.186 0.000 2.846 1139 I HA 0.252 4.423 4.170 0.001 0.000 0.307 1139 I C 0.694 176.987 176.117 0.293 0.000 1.053 1139 I CA -0.952 60.475 61.300 0.213 0.000 1.050 1139 I CB 1.490 39.627 38.000 0.229 0.000 1.239 1139 I HN 0.156 nan 8.210 nan 0.000 0.439 1140 D N 3.633 124.223 120.400 0.316 0.000 2.736 1140 D HA 0.058 4.699 4.640 0.001 0.000 0.228 1140 D C -1.243 175.451 176.300 0.657 0.000 1.077 1140 D CA 0.523 54.773 54.000 0.417 0.000 1.096 1140 D CB -0.607 40.434 40.800 0.401 0.000 1.138 1140 D HN 0.335 nan 8.370 nan 0.000 0.461 1141 F N 1.629 121.830 119.950 0.417 0.000 2.671 1141 F HA 0.260 4.787 4.527 0.001 0.000 0.332 1141 F C -1.414 174.609 175.800 0.370 0.000 1.189 1141 F CA -1.121 57.194 58.000 0.525 0.000 0.988 1141 F CB 1.414 40.677 39.000 0.440 0.000 1.258 1141 F HN -0.141 nan 8.300 nan 0.000 0.471 1142 D N 8.970 129.224 120.400 -0.243 0.000 2.464 1142 D HA 0.290 4.931 4.640 0.001 0.000 0.243 1142 D C -1.908 173.929 176.300 -0.772 0.000 1.104 1142 D CA -1.983 51.767 54.000 -0.416 0.000 0.883 1142 D CB 2.215 42.916 40.800 -0.165 0.000 1.050 1142 D HN 0.295 nan 8.370 nan 0.000 0.524 1143 P HA -0.156 nan 4.420 nan 0.000 0.221 1143 P C 0.539 177.397 177.300 -0.736 0.000 1.145 1143 P CA 0.789 63.391 63.100 -0.830 0.000 0.795 1143 P CB 0.003 31.015 31.700 -1.147 0.000 0.775 1144 Y N -0.254 119.798 120.300 -0.413 0.000 2.537 1144 Y HA 0.467 5.017 4.550 0.001 0.000 0.303 1144 Y C 1.507 177.242 175.900 -0.274 0.000 1.176 1144 Y CA -0.492 57.437 58.100 -0.285 0.000 1.273 1144 Y CB -0.326 37.992 38.460 -0.238 0.000 1.110 1144 Y HN 0.004 nan 8.280 nan 0.000 0.518 1145 A N 0.098 122.722 122.820 -0.327 0.000 2.389 1145 A HA 0.774 5.094 4.320 0.001 0.000 0.293 1145 A C -0.670 176.659 177.584 -0.425 0.000 1.186 1145 A CA -1.034 50.789 52.037 -0.355 0.000 0.828 1145 A CB 1.386 20.128 19.000 -0.429 0.000 1.369 1145 A HN 0.164 nan 8.150 nan 0.000 0.446 1146 K N 0.617 120.847 120.400 -0.284 0.000 2.450 1146 K HA 0.594 4.915 4.320 0.001 0.000 0.257 1146 K C -1.778 174.807 176.600 -0.024 0.000 0.953 1146 K CA -0.278 55.929 56.287 -0.133 0.000 0.844 1146 K CB 1.489 33.974 32.500 -0.025 0.000 1.103 1146 K HN 0.575 nan 8.250 nan 0.000 0.429 1147 F N -0.934 118.948 119.950 -0.112 0.000 2.741 1147 F HA 0.542 5.070 4.527 0.001 0.000 0.311 1147 F C -1.448 174.236 175.800 -0.193 0.000 1.149 1147 F CA -1.785 56.068 58.000 -0.245 0.000 0.930 1147 F CB 0.731 39.365 39.000 -0.609 0.000 1.312 1147 F HN 0.214 nan 8.300 nan 0.000 0.450 1148 D N 1.166 121.503 120.400 -0.105 0.000 2.433 1148 D HA 0.560 5.200 4.640 0.001 0.000 0.236 1148 D C -0.761 175.307 176.300 -0.387 0.000 1.026 1148 D CA -0.116 53.760 54.000 -0.206 0.000 0.884 1148 D CB 3.029 43.750 40.800 -0.132 0.000 1.384 1148 D HN 0.337 nan 8.370 nan 0.000 0.477 1149 I N 1.064 121.414 120.570 -0.368 0.000 2.365 1149 I HA 0.077 4.247 4.170 0.001 0.000 0.291 1149 I C 0.525 176.494 176.117 -0.246 0.000 1.004 1149 I CA -0.647 60.425 61.300 -0.379 0.000 1.311 1149 I CB 0.879 38.698 38.000 -0.302 0.000 1.401 1149 I HN 0.349 nan 8.210 nan 0.000 0.491 1150 C N 6.403 125.568 119.300 -0.225 0.000 2.638 1150 C HA 0.332 4.792 4.460 0.001 0.000 0.410 1150 C C 1.756 176.628 174.990 -0.197 0.000 1.404 1150 C CA -0.343 58.553 59.018 -0.204 0.000 1.651 1150 C CB -1.033 26.638 27.740 -0.115 0.000 2.495 1150 C HN 0.925 nan 8.230 nan 0.000 0.606 1151 A N 4.228 126.844 122.820 -0.340 0.000 2.239 1151 A HA 0.314 4.634 4.320 0.001 0.000 0.209 1151 A C 1.811 179.362 177.584 -0.055 0.000 1.171 1151 A CA 1.535 53.481 52.037 -0.152 0.000 0.768 1151 A CB -0.219 18.625 19.000 -0.261 0.000 0.790 1151 A HN 1.327 nan 8.150 nan 0.000 0.478 1152 A N -1.175 121.612 122.820 -0.056 0.000 1.988 1152 A HA 0.184 4.504 4.320 0.001 0.000 0.198 1152 A C 2.113 179.431 177.584 -0.444 0.000 1.507 1152 A CA 1.423 53.364 52.037 -0.160 0.000 0.901 1152 A CB -0.466 18.560 19.000 0.044 0.000 1.007 1152 A HN 0.612 nan 8.150 nan 0.000 0.502 1153 T N -5.158 109.214 114.554 -0.302 0.000 3.037 1153 T HA 0.144 4.494 4.350 0.001 0.000 0.251 1153 T C 0.434 175.043 174.700 -0.152 0.000 1.079 1153 T CA 0.657 62.634 62.100 -0.205 0.000 1.067 1153 T CB -0.686 68.147 68.868 -0.059 0.000 0.948 1153 T HN 0.575 nan 8.240 nan 0.000 0.496 1154 Y N 1.354 121.663 120.300 0.014 0.000 3.234 1154 Y HA -0.185 4.366 4.550 0.001 0.000 0.207 1154 Y C 0.088 175.980 175.900 -0.014 0.000 1.316 1154 Y CA -0.202 57.896 58.100 -0.003 0.000 1.309 1154 Y CB -1.678 36.835 38.460 0.088 0.000 1.408 1154 Y HN 0.202 nan 8.280 nan 0.000 0.544 1155 K N 1.031 121.416 120.400 -0.024 0.000 2.318 1155 K HA 0.482 4.803 4.320 0.001 0.000 0.249 1155 K C -2.586 173.845 176.600 -0.283 0.000 0.942 1155 K CA -2.029 54.222 56.287 -0.059 0.000 0.808 1155 K CB 1.920 34.447 32.500 0.044 0.000 1.189 1155 K HN -0.147 nan 8.250 nan 0.000 0.428 1156 P HA 0.272 nan 4.420 nan 0.000 0.276 1156 P C -0.299 176.775 177.300 -0.377 0.000 1.230 1156 P CA -0.176 62.576 63.100 -0.579 0.000 0.776 1156 P CB 0.568 31.835 31.700 -0.722 0.000 0.888 1157 I N 4.425 124.787 120.570 -0.346 0.000 2.313 1157 I HA 0.185 4.355 4.170 0.001 0.000 0.286 1157 I C 0.486 176.537 176.117 -0.110 0.000 1.091 1157 I CA -0.784 60.428 61.300 -0.146 0.000 1.216 1157 I CB -0.365 37.572 38.000 -0.103 0.000 1.434 1157 I HN 0.282 nan 8.210 nan 0.000 0.487 1158 Y N 3.668 124.039 120.300 0.119 0.000 2.335 1158 Y HA 0.006 4.557 4.550 0.001 0.000 0.348 1158 Y C 1.808 177.746 175.900 0.063 0.000 1.280 1158 Y CA -0.078 58.092 58.100 0.117 0.000 1.504 1158 Y CB 0.491 39.003 38.460 0.086 0.000 1.366 1158 Y HN 0.455 nan 8.280 nan 0.000 0.621 1159 E N 0.263 120.587 120.200 0.206 0.000 2.171 1159 E HA -0.240 4.111 4.350 0.001 0.000 0.197 1159 E C 0.995 177.650 176.600 0.093 0.000 0.997 1159 E CA 1.633 58.100 56.400 0.111 0.000 0.810 1159 E CB 0.034 29.781 29.700 0.079 0.000 0.738 1159 E HN 0.702 nan 8.360 nan 0.000 0.467 1160 D N 0.387 120.853 120.400 0.109 0.000 2.107 1160 D HA -0.048 4.592 4.640 0.001 0.000 0.204 1160 D C 0.373 176.723 176.300 0.083 0.000 0.978 1160 D CA 0.586 54.632 54.000 0.076 0.000 0.852 1160 D CB -0.371 40.464 40.800 0.059 0.000 1.008 1160 D HN -0.004 nan 8.370 nan 0.000 0.458 1161 T N 4.342 118.967 114.554 0.119 0.000 2.355 1161 T HA -0.072 4.279 4.350 0.001 0.000 0.194 1161 T C -2.225 172.518 174.700 0.071 0.000 1.049 1161 T CA -0.234 61.931 62.100 0.109 0.000 1.211 1161 T CB 0.148 69.105 68.868 0.149 0.000 0.997 1161 T HN 0.142 nan 8.240 nan 0.000 0.448 1162 P HA 0.297 nan 4.420 nan 0.000 0.276 1162 P C -0.563 176.762 177.300 0.042 0.000 1.235 1162 P CA -0.425 62.702 63.100 0.044 0.000 0.772 1162 P CB 0.970 32.693 31.700 0.038 0.000 0.871 1163 S N 1.935 117.658 115.700 0.038 0.000 2.651 1163 S HA 0.782 5.253 4.470 0.001 0.000 0.279 1163 S C -0.468 174.160 174.600 0.047 0.000 1.148 1163 S CA -0.745 57.479 58.200 0.040 0.000 0.837 1163 S CB 1.444 64.656 63.200 0.020 0.000 1.138 1163 S HN 0.366 nan 8.310 nan 0.000 0.478 1164 V N -1.096 118.861 119.914 0.072 0.000 2.876 1164 V HA 0.866 4.987 4.120 0.001 0.000 0.312 1164 V C -0.206 175.958 176.094 0.117 0.000 1.085 1164 V CA -0.679 61.670 62.300 0.083 0.000 0.945 1164 V CB 1.259 33.133 31.823 0.085 0.000 1.017 1164 V HN 0.941 nan 8.190 nan 0.000 0.428 1165 S N 1.044 116.800 115.700 0.093 0.000 2.718 1165 S HA 0.594 5.065 4.470 0.001 0.000 0.300 1165 S C -0.850 173.831 174.600 0.137 0.000 1.117 1165 S CA -0.405 57.852 58.200 0.094 0.000 1.002 1165 S CB 1.608 64.834 63.200 0.043 0.000 1.092 1165 S HN 1.094 nan 8.310 nan 0.000 0.542 1166 D N 1.137 121.623 120.400 0.145 0.000 2.329 1166 D HA 0.357 4.998 4.640 0.001 0.000 0.232 1166 D C -1.340 175.011 176.300 0.085 0.000 1.088 1166 D CA -2.243 51.843 54.000 0.144 0.000 0.835 1166 D CB 1.235 42.160 40.800 0.207 0.000 1.078 1166 D HN 0.043 nan 8.370 nan 0.000 0.495 1167 P HA -0.226 nan 4.420 nan 0.000 0.217 1167 P C 1.270 178.606 177.300 0.060 0.000 1.151 1167 P CA 0.739 63.873 63.100 0.057 0.000 0.849 1167 P CB 0.427 32.156 31.700 0.048 0.000 0.787 1168 L N -0.809 120.448 121.223 0.057 0.000 2.115 1168 L HA 0.088 4.428 4.340 0.001 0.000 0.200 1168 L C 2.485 179.379 176.870 0.039 0.000 1.094 1168 L CA 2.249 57.117 54.840 0.046 0.000 0.769 1168 L CB -1.521 40.562 42.059 0.040 0.000 0.931 1168 L HN -0.165 nan 8.230 nan 0.000 0.455 1169 T N -0.538 114.040 114.554 0.040 0.000 2.770 1169 T HA 0.117 4.467 4.350 0.001 0.000 0.263 1169 T C 1.272 175.989 174.700 0.028 0.000 1.039 1169 T CA 1.551 63.666 62.100 0.026 0.000 1.142 1169 T CB -0.426 68.463 68.868 0.035 0.000 0.868 1169 T HN 0.743 nan 8.240 nan 0.000 0.435 1170 G N 1.296 110.119 108.800 0.039 0.000 2.176 1170 G HA2 -0.267 3.693 3.960 0.001 0.000 0.232 1170 G HA3 -0.267 3.693 3.960 0.001 0.000 0.232 1170 G C 0.408 175.294 174.900 -0.024 0.000 0.986 1170 G CA 0.305 45.417 45.100 0.020 0.000 0.643 1170 G HN 0.873 nan 8.290 nan 0.000 0.522 1171 S N 0.021 115.695 115.700 -0.042 0.000 2.566 1171 S HA 0.512 4.983 4.470 0.001 0.000 0.280 1171 S C 0.124 174.532 174.600 -0.320 0.000 1.343 1171 S CA 0.194 58.285 58.200 -0.182 0.000 1.036 1171 S CB 1.625 64.712 63.200 -0.188 0.000 0.866 1171 S HN 0.509 nan 8.310 nan 0.000 0.526 1172 K N 1.240 121.354 120.400 -0.477 0.000 2.207 1172 K HA 0.544 4.864 4.320 0.001 0.000 0.255 1172 K C -1.407 174.759 176.600 -0.722 0.000 0.941 1172 K CA -0.455 55.576 56.287 -0.427 0.000 0.825 1172 K CB 1.260 33.631 32.500 -0.214 0.000 1.119 1172 K HN 0.684 nan 8.250 nan 0.000 0.430 1173 Y N -0.604 119.671 120.300 -0.042 0.000 2.634 1173 Y HA 0.316 4.866 4.550 0.001 0.000 0.340 1173 Y C 0.146 176.022 175.900 -0.039 0.000 1.058 1173 Y CA -1.408 56.660 58.100 -0.054 0.000 1.081 1173 Y CB 0.959 39.387 38.460 -0.053 0.000 1.295 1173 Y HN 0.280 nan 8.280 nan 0.000 0.487 1174 V N 0.246 120.241 119.914 0.136 0.000 3.003 1174 V HA 0.121 4.242 4.120 0.001 0.000 0.305 1174 V C 1.075 177.213 176.094 0.074 0.000 1.078 1174 V CA -0.659 61.685 62.300 0.074 0.000 1.083 1174 V CB 0.408 32.260 31.823 0.049 0.000 1.039 1174 V HN 0.781 nan 8.190 nan 0.000 0.481 1175 I N 1.839 122.440 120.570 0.051 0.000 2.399 1175 I HA -0.203 3.968 4.170 0.001 0.000 0.254 1175 I C 2.498 178.628 176.117 0.021 0.000 1.146 1175 I CA 1.884 63.206 61.300 0.037 0.000 1.412 1175 I CB -2.128 35.891 38.000 0.030 0.000 1.076 1175 I HN 0.905 nan 8.210 nan 0.000 0.432 1176 T N 1.016 115.582 114.554 0.019 0.000 2.737 1176 T HA -0.178 4.172 4.350 0.001 0.000 0.269 1176 T C 1.563 176.251 174.700 -0.020 0.000 1.040 1176 T CA 1.334 63.435 62.100 0.002 0.000 1.142 1176 T CB -0.140 68.731 68.868 0.004 0.000 0.861 1176 T HN 0.369 nan 8.240 nan 0.000 0.456 1177 E N 0.813 120.997 120.200 -0.027 0.000 2.502 1177 E HA 0.104 4.454 4.350 0.001 0.000 0.194 1177 E C 0.764 177.297 176.600 -0.111 0.000 1.062 1177 E CA 0.019 56.359 56.400 -0.100 0.000 0.867 1177 E CB -0.071 29.520 29.700 -0.183 0.000 0.888 1177 E HN 0.487 nan 8.360 nan 0.000 0.510 1178 K N 1.755 122.126 120.400 -0.049 0.000 2.550 1178 K HA -0.145 4.175 4.320 0.001 0.000 0.280 1178 K C -0.081 176.488 176.600 -0.052 0.000 0.987 1178 K CA 0.743 57.007 56.287 -0.038 0.000 1.048 1178 K CB 0.271 32.765 32.500 -0.009 0.000 0.879 1178 K HN -0.164 nan 8.250 nan 0.000 0.491 1179 D N 0.871 121.240 120.400 -0.051 0.000 3.028 1179 D HA -0.169 4.471 4.640 0.001 0.000 0.207 1179 D C -0.724 175.538 176.300 -0.064 0.000 1.100 1179 D CA 1.277 55.250 54.000 -0.046 0.000 0.995 1179 D CB -0.706 40.076 40.800 -0.029 0.000 1.108 1179 D HN 0.643 nan 8.370 nan 0.000 0.421 1180 K N -0.348 119.990 120.400 -0.104 0.000 2.267 1180 K HA 0.620 4.940 4.320 0.001 0.000 0.236 1180 K C 0.651 177.170 176.600 -0.134 0.000 1.030 1180 K CA -1.022 55.195 56.287 -0.116 0.000 0.930 1180 K CB 0.891 33.301 32.500 -0.150 0.000 1.182 1180 K HN -0.005 nan 8.250 nan 0.000 0.474 1181 I N -1.301 119.198 120.570 -0.118 0.000 2.612 1181 I HA 0.118 4.289 4.170 0.001 0.000 0.295 1181 I C 0.190 176.218 176.117 -0.149 0.000 1.011 1181 I CA -0.603 60.640 61.300 -0.095 0.000 1.326 1181 I CB 0.317 38.290 38.000 -0.044 0.000 1.427 1181 I HN 0.481 nan 8.210 nan 0.000 0.537 1182 D N 4.685 125.034 120.400 -0.085 0.000 2.372 1182 D HA 0.068 4.708 4.640 0.001 0.000 0.243 1182 D C 0.325 176.649 176.300 0.041 0.000 1.121 1182 D CA -0.433 53.546 54.000 -0.035 0.000 0.898 1182 D CB 1.117 42.001 40.800 0.139 0.000 1.202 1182 D HN 0.488 nan 8.370 nan 0.000 0.428 1183 R N 2.087 122.664 120.500 0.129 0.000 2.240 1183 R HA 0.084 4.425 4.340 0.001 0.000 0.203 1183 R C 1.680 178.056 176.300 0.126 0.000 1.011 1183 R CA 0.016 56.187 56.100 0.118 0.000 1.007 1183 R CB -0.519 29.867 30.300 0.144 0.000 0.911 1183 R HN 0.566 nan 8.270 nan 0.000 0.468 1184 I N 0.346 121.000 120.570 0.141 0.000 2.546 1184 I HA -0.037 4.133 4.170 0.001 0.000 0.255 1184 I C 0.685 176.829 176.117 0.045 0.000 1.163 1184 I CA 0.793 62.143 61.300 0.084 0.000 1.457 1184 I CB -0.550 37.487 38.000 0.063 0.000 1.092 1184 I HN -0.015 nan 8.210 nan 0.000 0.434 1185 A N -0.039 122.817 122.820 0.060 0.000 3.346 1185 A HA 0.397 4.718 4.320 0.001 0.000 0.222 1185 A C 0.171 177.841 177.584 0.142 0.000 1.138 1185 A CA -0.590 51.484 52.037 0.061 0.000 1.074 1185 A CB -0.698 18.259 19.000 -0.072 0.000 1.347 1185 A HN 0.067 nan 8.150 nan 0.000 0.751 1186 M N 0.747 120.418 119.600 0.117 0.000 3.100 1186 M HA -0.186 4.295 4.480 0.001 0.000 0.368 1186 M C 0.745 177.104 176.300 0.099 0.000 1.644 1186 M CA 0.989 56.342 55.300 0.089 0.000 1.331 1186 M CB -1.208 31.436 32.600 0.075 0.000 1.589 1186 M HN 0.569 nan 8.290 nan 0.000 0.583 1187 I N -2.356 118.269 120.570 0.092 0.000 4.317 1187 I HA 0.122 4.292 4.170 0.001 0.000 0.289 1187 I C 0.776 176.923 176.117 0.051 0.000 1.164 1187 I CA 0.625 61.976 61.300 0.085 0.000 1.312 1187 I CB -0.087 38.002 38.000 0.149 0.000 1.569 1187 I HN 0.521 nan 8.210 nan 0.000 0.450 1188 S N 1.653 117.383 115.700 0.050 0.000 2.651 1188 S HA 0.480 4.950 4.470 0.001 0.000 0.291 1188 S C -0.266 174.341 174.600 0.012 0.000 1.141 1188 S CA -0.575 57.646 58.200 0.034 0.000 1.027 1188 S CB 2.550 65.778 63.200 0.046 0.000 1.043 1188 S HN 0.181 nan 8.310 nan 0.000 0.530 1189 K N 1.583 121.987 120.400 0.006 0.000 2.258 1189 K HA 0.352 4.673 4.320 0.001 0.000 0.284 1189 K C -0.600 175.993 176.600 -0.012 0.000 1.051 1189 K CA -0.572 55.707 56.287 -0.014 0.000 0.923 1189 K CB 0.144 32.639 32.500 -0.009 0.000 1.046 1189 K HN 0.682 nan 8.250 nan 0.000 0.474 1190 I N 4.870 125.412 120.570 -0.048 0.000 2.581 1190 I HA 0.032 4.202 4.170 0.001 0.000 0.285 1190 I C 1.314 177.432 176.117 0.002 0.000 1.129 1190 I CA 0.898 62.181 61.300 -0.028 0.000 1.397 1190 I CB 0.201 38.113 38.000 -0.148 0.000 1.399 1190 I HN 1.117 nan 8.210 nan 0.000 0.537 1191 G N 4.307 113.128 108.800 0.034 0.000 2.258 1191 G HA2 -0.243 3.717 3.960 0.001 0.000 0.233 1191 G HA3 -0.243 3.717 3.960 0.001 0.000 0.233 1191 G C 0.547 175.460 174.900 0.022 0.000 1.006 1191 G CA -0.102 45.016 45.100 0.030 0.000 0.620 1191 G HN 0.964 nan 8.290 nan 0.000 0.511 1192 A N 2.226 125.056 122.820 0.016 0.000 2.561 1192 A HA 0.529 4.850 4.320 0.001 0.000 0.234 1192 A C -0.989 176.608 177.584 0.022 0.000 1.055 1192 A CA 0.433 52.479 52.037 0.015 0.000 0.756 1192 A CB -0.010 18.998 19.000 0.014 0.000 0.986 1192 A HN 0.465 nan 8.150 nan 0.000 0.505 1193 P HA 0.524 nan 4.420 nan 0.000 0.284 1193 P C -0.751 176.563 177.300 0.025 0.000 1.253 1193 P CA -0.035 63.079 63.100 0.022 0.000 0.800 1193 P CB 1.627 33.338 31.700 0.018 0.000 0.961 1194 A N 1.866 124.702 122.820 0.027 0.000 2.454 1194 A HA 0.526 4.846 4.320 0.001 0.000 0.302 1194 A C 0.612 178.213 177.584 0.029 0.000 1.079 1194 A CA -0.458 51.597 52.037 0.030 0.000 0.731 1194 A CB 1.070 20.092 19.000 0.037 0.000 1.299 1194 A HN 0.481 nan 8.150 nan 0.000 0.413 1195 S N 0.350 116.068 115.700 0.029 0.000 2.622 1195 S HA 0.503 4.973 4.470 0.001 0.000 0.236 1195 S C 0.778 175.397 174.600 0.031 0.000 0.956 1195 S CA 0.389 58.604 58.200 0.026 0.000 0.971 1195 S CB -0.856 62.359 63.200 0.024 0.000 0.782 1195 S HN 2.645 nan 8.310 nan 0.000 0.468 1196 G N 0.986 109.810 108.800 0.041 0.000 2.712 1196 G HA2 0.016 3.976 3.960 0.001 0.000 0.686 1196 G HA3 0.016 3.976 3.960 0.001 0.000 0.686 1196 G C -0.868 174.077 174.900 0.075 0.000 1.181 1196 G CA -0.619 44.516 45.100 0.058 0.000 0.762 1196 G HN 0.917 nan 8.290 nan 0.000 0.641 1197 L N 2.013 123.308 121.223 0.120 0.000 2.418 1197 L HA 0.600 4.940 4.340 0.001 0.000 0.274 1197 L C 0.891 177.810 176.870 0.083 0.000 1.135 1197 L CA -0.111 54.783 54.840 0.091 0.000 0.870 1197 L CB 0.250 42.358 42.059 0.081 0.000 1.154 1197 L HN 0.536 nan 8.230 nan 0.000 0.462 1198 R N 6.692 127.217 120.500 0.041 0.000 2.280 1198 R HA 0.297 4.638 4.340 0.001 0.000 0.326 1198 R C 0.351 176.654 176.300 0.005 0.000 1.080 1198 R CA -0.158 55.961 56.100 0.031 0.000 1.002 1198 R CB 0.600 30.915 30.300 0.024 0.000 1.136 1198 R HN 0.836 nan 8.270 nan 0.000 0.509 1199 I N 0.667 121.243 120.570 0.009 0.000 3.172 1199 I HA 0.048 4.218 4.170 0.001 0.000 0.278 1199 I C 1.124 177.233 176.117 -0.014 0.000 1.174 1199 I CA 0.128 61.416 61.300 -0.020 0.000 1.445 1199 I CB 0.248 38.228 38.000 -0.033 0.000 1.175 1199 I HN 0.271 nan 8.210 nan 0.000 0.447 1200 R N 1.663 122.169 120.500 0.010 0.000 2.357 1200 R HA 0.357 4.697 4.340 0.001 0.000 0.296 1200 R C -0.051 176.254 176.300 0.008 0.000 1.052 1200 R CA -0.376 55.731 56.100 0.011 0.000 0.988 1200 R CB 1.096 31.410 30.300 0.023 0.000 1.025 1200 R HN -0.144 nan 8.270 nan 0.000 0.469 1201 V N 0.000 119.920 119.914 0.009 0.000 2.409 1201 V HA 0.000 4.120 4.120 0.001 0.000 0.244 1201 V CA 0.000 62.309 62.300 0.014 0.000 1.235 1201 V CB 0.000 31.844 31.823 0.035 0.000 1.184 1201 V HN 0.000 nan 8.190 nan 0.000 0.556