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 1npe_1_A DATA FIRST_RESID 913 DATA SEQUENCE GTHLLFAQTG KIERLPLERN TMKKTEAKAF LHIPAKVIIG LAFDcVDKVV DATA SEQUENCE YWTDISEPSI GRASLHGGEP TTIIRQDLGS PEGIALDHLG RTIFWTDSQL DATA SEQUENCE DRIEVAKMDG TQRRVLFDTG LVNPRGIVTD PVRGNLYWTD WNRDNPKIET DATA SEQUENCE SHMDGTNRRI LAQDNLGLPN GLTFDAFSSQ LcWVDAGTHR AEcLNPAQPG DATA SEQUENCE RRKVLEGLQY PFAVTSYGKN LYYTDWKTNS VIAMDLAISK EMDTFHPHKQ DATA SEQUENCE TRLYGITIAL SQc 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 913 G HA2 0.000 nan 3.960 nan 0.000 0.244 913 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 913 G C 0.000 174.791 174.900 -0.182 0.000 0.946 913 G CA 0.000 45.048 45.100 -0.086 0.000 0.502 914 T N -0.213 114.124 114.554 -0.361 0.000 2.829 914 T HA 0.735 5.085 4.350 -0.000 0.000 0.282 914 T C -0.661 173.635 174.700 -0.673 0.000 0.990 914 T CA -0.387 61.465 62.100 -0.414 0.000 1.028 914 T CB 2.071 70.666 68.868 -0.456 0.000 0.951 914 T HN 0.287 nan 8.240 nan 0.000 0.460 915 H N 0.616 119.457 119.070 -0.381 0.000 2.797 915 H HA 0.640 5.195 4.556 -0.000 0.000 0.372 915 H C -0.593 174.488 175.328 -0.411 0.000 1.168 915 H CA -0.954 54.874 56.048 -0.366 0.000 1.163 915 H CB 1.441 31.003 29.762 -0.333 0.000 1.778 915 H HN 0.529 nan 8.280 nan 0.000 0.551 916 L N 2.299 123.386 121.223 -0.227 0.000 2.309 916 L HA 0.471 4.811 4.340 -0.000 0.000 0.282 916 L C -1.055 175.733 176.870 -0.137 0.000 1.036 916 L CA -0.660 54.044 54.840 -0.226 0.000 0.806 916 L CB 0.879 42.792 42.059 -0.243 0.000 1.220 916 L HN 0.340 nan 8.230 nan 0.000 0.429 917 L N 4.505 125.676 121.223 -0.087 0.000 2.410 917 L HA 0.554 4.894 4.340 -0.000 0.000 0.270 917 L C -0.932 176.013 176.870 0.125 0.000 0.983 917 L CA -0.491 54.297 54.840 -0.087 0.000 0.822 917 L CB 1.810 43.764 42.059 -0.175 0.000 1.285 917 L HN 0.420 nan 8.230 nan 0.000 0.409 918 F N 1.281 121.258 119.950 0.046 0.000 2.613 918 F HA 0.966 5.493 4.527 -0.000 0.000 0.314 918 F C -0.538 175.338 175.800 0.127 0.000 1.075 918 F CA -1.099 56.967 58.000 0.111 0.000 0.945 918 F CB 1.495 40.565 39.000 0.118 0.000 1.310 918 F HN 0.410 nan 8.300 nan 0.000 0.467 919 A N 1.920 125.002 122.820 0.436 0.000 2.312 919 A HA 0.778 5.098 4.320 -0.000 0.000 0.328 919 A C -0.843 176.969 177.584 0.381 0.000 1.158 919 A CA -0.533 51.699 52.037 0.326 0.000 0.821 919 A CB 1.354 20.563 19.000 0.349 0.000 1.170 919 A HN 0.904 nan 8.150 nan 0.000 0.490 920 Q N -0.516 119.442 119.800 0.264 0.000 2.553 920 Q HA 0.400 4.740 4.340 -0.000 0.000 0.293 920 Q C -1.046 175.081 176.000 0.211 0.000 1.038 920 Q CA -0.815 55.122 55.803 0.223 0.000 0.777 920 Q CB 2.199 31.027 28.738 0.150 0.000 1.487 920 Q HN 0.703 nan 8.270 nan 0.000 0.426 921 T N 0.699 115.372 114.554 0.198 0.000 2.829 921 T HA 0.271 4.621 4.350 -0.000 0.000 0.293 921 T C 0.924 175.663 174.700 0.065 0.000 0.970 921 T CA 1.372 63.552 62.100 0.133 0.000 1.168 921 T CB 0.021 68.953 68.868 0.107 0.000 0.911 921 T HN 0.900 nan 8.240 nan 0.000 0.535 922 G N 3.117 111.934 108.800 0.027 0.000 2.162 922 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 922 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 922 G C 0.000 174.898 174.900 -0.003 0.000 0.976 922 G CA 0.670 45.777 45.100 0.011 0.000 0.655 922 G HN 0.973 nan 8.290 nan 0.000 0.533 923 K N -1.580 118.788 120.400 -0.054 0.000 2.672 923 K HA 0.754 5.074 4.320 -0.000 0.000 0.295 923 K C -1.383 175.119 176.600 -0.163 0.000 1.042 923 K CA -1.309 54.884 56.287 -0.156 0.000 0.869 923 K CB 1.099 33.492 32.500 -0.177 0.000 1.541 923 K HN 0.236 nan 8.250 nan 0.000 0.396 924 I N 1.120 121.558 120.570 -0.221 0.000 2.478 924 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 924 I C -0.879 175.109 176.117 -0.215 0.000 1.042 924 I CA -0.739 60.477 61.300 -0.140 0.000 1.067 924 I CB 2.108 40.123 38.000 0.024 0.000 1.233 924 I HN 0.700 nan 8.210 nan 0.000 0.431 925 E N 6.309 126.233 120.200 -0.461 0.000 2.283 925 E HA 0.492 4.841 4.350 -0.000 0.000 0.267 925 E C -0.751 175.551 176.600 -0.497 0.000 1.045 925 E CA -0.497 55.535 56.400 -0.613 0.000 0.884 925 E CB 1.362 30.343 29.700 -1.198 0.000 1.106 925 E HN 0.481 nan 8.360 nan 0.000 0.408 926 R N 3.691 124.009 120.500 -0.304 0.000 2.574 926 R HA 0.556 4.896 4.340 -0.000 0.000 0.288 926 R C -1.632 174.580 176.300 -0.146 0.000 1.004 926 R CA -0.757 55.216 56.100 -0.213 0.000 0.895 926 R CB 0.564 30.769 30.300 -0.158 0.000 1.191 926 R HN 0.583 nan 8.270 nan 0.000 0.444 927 L N 0.981 122.130 121.223 -0.123 0.000 2.482 927 L HA 0.718 5.058 4.340 -0.000 0.000 0.263 927 L C -2.929 173.876 176.870 -0.108 0.000 0.957 927 L CA -2.409 52.354 54.840 -0.128 0.000 0.836 927 L CB 2.510 44.414 42.059 -0.259 0.000 1.324 927 L HN 0.429 nan 8.230 nan 0.000 0.406 928 P HA 0.240 nan 4.420 nan 0.000 0.269 928 P C -1.030 176.113 177.300 -0.263 0.000 1.209 928 P CA 0.116 63.092 63.100 -0.207 0.000 0.776 928 P CB 0.657 32.272 31.700 -0.142 0.000 0.876 929 L N 2.945 123.957 121.223 -0.350 0.000 2.401 929 L HA 0.274 4.614 4.340 -0.000 0.000 0.263 929 L C 0.051 176.789 176.870 -0.221 0.000 1.004 929 L CA -0.173 54.491 54.840 -0.293 0.000 0.881 929 L CB 0.815 42.617 42.059 -0.428 0.000 1.219 929 L HN 0.297 nan 8.230 nan 0.000 0.441 930 E N 5.304 125.428 120.200 -0.127 0.000 2.035 930 E HA 0.295 4.645 4.350 -0.000 0.000 0.271 930 E C -0.508 176.084 176.600 -0.013 0.000 0.953 930 E CA -0.807 55.548 56.400 -0.075 0.000 0.777 930 E CB 0.873 30.534 29.700 -0.066 0.000 1.104 930 E HN 0.278 nan 8.360 nan 0.000 0.408 931 R N 2.735 123.252 120.500 0.028 0.000 2.992 931 R HA -0.236 4.104 4.340 -0.000 0.000 0.263 931 R C -0.474 175.884 176.300 0.097 0.000 0.902 931 R CA 0.476 56.618 56.100 0.070 0.000 0.667 931 R CB -2.364 27.955 30.300 0.031 0.000 1.504 931 R HN 1.001 nan 8.270 nan 0.000 0.489 932 N N -1.755 117.058 118.700 0.189 0.000 2.708 932 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 932 N C -0.699 174.917 175.510 0.175 0.000 1.123 932 N CA 1.491 54.683 53.050 0.237 0.000 0.739 932 N CB -0.403 38.178 38.487 0.157 0.000 1.113 932 N HN 0.467 nan 8.380 nan 0.000 0.561 933 T N 0.956 115.568 114.554 0.097 0.000 2.848 933 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 933 T C 0.138 174.839 174.700 0.002 0.000 0.995 933 T CA -0.548 61.587 62.100 0.059 0.000 0.970 933 T CB 1.689 70.573 68.868 0.027 0.000 0.976 933 T HN 0.038 nan 8.240 nan 0.000 0.441 934 M N 3.326 122.930 119.600 0.008 0.000 2.162 934 M HA 0.287 4.767 4.480 -0.000 0.000 0.356 934 M C 0.474 176.712 176.300 -0.103 0.000 1.303 934 M CA -0.471 54.780 55.300 -0.082 0.000 1.116 934 M CB 0.614 33.170 32.600 -0.072 0.000 1.632 934 M HN 0.130 nan 8.290 nan 0.000 0.469 935 K N 4.364 124.678 120.400 -0.142 0.000 2.187 935 K HA 0.132 4.452 4.320 -0.000 0.000 0.242 935 K C 0.524 177.019 176.600 -0.174 0.000 1.179 935 K CA -0.009 56.209 56.287 -0.115 0.000 1.097 935 K CB 0.087 32.530 32.500 -0.095 0.000 1.634 935 K HN 0.630 nan 8.250 nan 0.000 0.335 936 K N -0.039 120.253 120.400 -0.180 0.000 2.113 936 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 936 K C 1.812 178.378 176.600 -0.057 0.000 1.047 936 K CA 2.090 58.223 56.287 -0.257 0.000 0.928 936 K CB -0.159 32.375 32.500 0.057 0.000 0.716 936 K HN 0.477 nan 8.250 nan 0.000 0.446 937 T N -0.895 113.670 114.554 0.018 0.000 3.035 937 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 937 T C 1.335 176.062 174.700 0.045 0.000 1.109 937 T CA 0.821 62.963 62.100 0.070 0.000 1.119 937 T CB -0.046 68.859 68.868 0.062 0.000 0.900 937 T HN 0.266 nan 8.240 nan 0.000 0.503 938 E N 1.073 121.267 120.200 -0.010 0.000 2.463 938 E HA 0.423 4.773 4.350 -0.000 0.000 0.193 938 E C 0.505 177.091 176.600 -0.022 0.000 1.041 938 E CA -0.365 56.030 56.400 -0.009 0.000 0.879 938 E CB 0.309 29.996 29.700 -0.021 0.000 0.997 938 E HN 0.613 nan 8.360 nan 0.000 0.478 939 A N 2.989 125.783 122.820 -0.043 0.000 2.484 939 A HA 0.123 4.442 4.320 -0.000 0.000 0.268 939 A C 0.204 177.813 177.584 0.041 0.000 1.114 939 A CA 0.158 52.171 52.037 -0.040 0.000 0.780 939 A CB -0.185 18.781 19.000 -0.057 0.000 1.061 939 A HN 0.167 nan 8.150 nan 0.000 0.505 940 K N 1.754 122.155 120.400 0.001 0.000 2.443 940 K HA 0.785 5.105 4.320 -0.000 0.000 0.251 940 K C -0.391 176.185 176.600 -0.041 0.000 0.972 940 K CA -0.576 55.717 56.287 0.010 0.000 0.833 940 K CB 1.893 34.403 32.500 0.016 0.000 1.317 940 K HN 0.611 nan 8.250 nan 0.000 0.441 941 A N 1.637 124.420 122.820 -0.061 0.000 2.488 941 A HA 0.174 4.494 4.320 -0.000 0.000 0.249 941 A C 0.192 177.709 177.584 -0.112 0.000 1.083 941 A CA -0.494 51.438 52.037 -0.175 0.000 0.768 941 A CB -0.373 18.411 19.000 -0.359 0.000 1.017 941 A HN 0.786 nan 8.150 nan 0.000 0.496 942 F N 2.576 122.365 119.950 -0.269 0.000 2.219 942 F HA 0.431 4.958 4.527 -0.000 0.000 0.294 942 F C 0.079 175.757 175.800 -0.204 0.000 1.086 942 F CA 0.585 58.458 58.000 -0.212 0.000 1.330 942 F CB 0.065 38.940 39.000 -0.208 0.000 1.047 942 F HN 0.401 nan 8.300 nan 0.000 0.495 943 L N -0.282 120.611 121.223 -0.549 0.000 2.545 943 L HA 0.336 4.676 4.340 -0.000 0.000 0.258 943 L C -1.808 174.770 176.870 -0.487 0.000 0.942 943 L CA -0.503 53.960 54.840 -0.629 0.000 0.855 943 L CB 1.769 43.306 42.059 -0.871 0.000 1.374 943 L HN 0.011 nan 8.230 nan 0.000 0.411 944 H N 4.311 123.228 119.070 -0.255 0.000 2.551 944 H HA 0.688 5.244 4.556 -0.000 0.000 0.321 944 H C -0.865 174.350 175.328 -0.188 0.000 1.028 944 H CA -0.199 55.739 56.048 -0.183 0.000 1.215 944 H CB 1.260 30.946 29.762 -0.125 0.000 1.414 944 H HN 0.379 nan 8.280 nan 0.000 0.480 945 I N 6.318 126.844 120.570 -0.073 0.000 2.782 945 I HA 0.154 4.324 4.170 -0.000 0.000 0.279 945 I C -1.710 174.379 176.117 -0.047 0.000 1.247 945 I CA -1.485 59.757 61.300 -0.097 0.000 1.062 945 I CB 1.296 39.173 38.000 -0.205 0.000 1.421 945 I HN 0.519 nan 8.210 nan 0.000 0.558 946 P HA -0.319 nan 4.420 nan 0.000 0.218 946 P C 1.321 178.614 177.300 -0.012 0.000 1.154 946 P CA 1.930 65.024 63.100 -0.010 0.000 0.872 946 P CB 0.363 32.046 31.700 -0.028 0.000 0.790 947 A N -0.892 121.920 122.820 -0.013 0.000 2.169 947 A HA 0.002 4.322 4.320 -0.000 0.000 0.212 947 A C 1.196 178.778 177.584 -0.003 0.000 1.153 947 A CA 0.544 52.578 52.037 -0.006 0.000 0.756 947 A CB -0.513 18.487 19.000 -0.001 0.000 0.813 947 A HN 0.234 nan 8.150 nan 0.000 0.471 948 K N -0.707 119.685 120.400 -0.013 0.000 2.123 948 K HA 0.577 4.897 4.320 -0.000 0.000 0.248 948 K C -1.237 175.352 176.600 -0.019 0.000 0.969 948 K CA -0.632 55.647 56.287 -0.013 0.000 0.882 948 K CB 2.208 34.695 32.500 -0.022 0.000 1.080 948 K HN -0.116 nan 8.250 nan 0.000 0.441 949 V N 3.961 123.864 119.914 -0.018 0.000 2.266 949 V HA 0.170 4.290 4.120 -0.000 0.000 0.271 949 V C -0.226 175.833 176.094 -0.058 0.000 1.032 949 V CA -0.781 61.492 62.300 -0.044 0.000 0.806 949 V CB 0.470 32.242 31.823 -0.084 0.000 1.052 949 V HN 0.608 nan 8.190 nan 0.000 0.449 950 I N 5.392 125.949 120.570 -0.022 0.000 2.533 950 I HA 0.147 4.317 4.170 -0.000 0.000 0.284 950 I C 0.830 176.983 176.117 0.060 0.000 1.109 950 I CA 0.537 61.855 61.300 0.030 0.000 1.412 950 I CB 0.906 38.894 38.000 -0.019 0.000 1.396 950 I HN 0.403 nan 8.210 nan 0.000 0.543 951 I N 4.443 125.085 120.570 0.119 0.000 3.523 951 I HA 0.195 4.365 4.170 -0.000 0.000 0.244 951 I C 1.343 177.693 176.117 0.388 0.000 1.110 951 I CA 0.556 61.956 61.300 0.166 0.000 1.517 951 I CB -0.734 37.340 38.000 0.124 0.000 1.505 951 I HN 0.531 nan 8.210 nan 0.000 0.460 952 G N 2.359 111.377 108.800 0.363 0.000 2.400 952 G HA2 0.628 4.588 3.960 -0.000 0.000 0.301 952 G HA3 0.628 4.588 3.960 -0.000 0.000 0.301 952 G C -0.896 174.237 174.900 0.388 0.000 1.154 952 G CA -0.186 45.142 45.100 0.381 0.000 0.852 952 G HN 0.078 nan 8.290 nan 0.000 0.511 953 L N 0.531 121.976 121.223 0.370 0.000 2.409 953 L HA 0.807 5.147 4.340 -0.000 0.000 0.262 953 L C 0.027 177.097 176.870 0.333 0.000 0.992 953 L CA -0.923 54.140 54.840 0.371 0.000 0.817 953 L CB 2.365 44.626 42.059 0.337 0.000 1.350 953 L HN 0.749 nan 8.230 nan 0.000 0.411 954 A N 1.736 124.771 122.820 0.358 0.000 2.609 954 A HA 0.834 5.154 4.320 -0.000 0.000 0.291 954 A C -2.148 175.688 177.584 0.420 0.000 1.096 954 A CA -0.388 51.846 52.037 0.329 0.000 0.684 954 A CB 1.970 21.122 19.000 0.252 0.000 1.282 954 A HN 0.491 nan 8.150 nan 0.000 0.412 955 F N 1.027 121.078 119.950 0.167 0.000 2.557 955 F HA 0.544 5.071 4.527 -0.000 0.000 0.316 955 F C -0.925 174.950 175.800 0.125 0.000 1.141 955 F CA -0.636 57.454 58.000 0.150 0.000 0.922 955 F CB 1.870 40.912 39.000 0.069 0.000 1.194 955 F HN 0.591 nan 8.300 nan 0.000 0.443 956 D N 4.650 124.779 120.400 -0.452 0.000 2.380 956 D HA 0.146 4.786 4.640 -0.000 0.000 0.230 956 D C 1.209 177.133 176.300 -0.626 0.000 1.154 956 D CA -0.367 53.430 54.000 -0.340 0.000 0.859 956 D CB 0.748 41.502 40.800 -0.078 0.000 1.045 956 D HN 0.670 nan 8.370 nan 0.000 0.495 957 c N 2.505 120.916 118.600 -0.316 0.000 2.432 957 c HA -0.052 4.518 4.570 -0.000 0.000 0.282 957 c C 2.341 176.390 174.090 -0.068 0.000 1.388 957 c CA 0.545 56.787 56.329 -0.145 0.000 1.777 957 c CB -1.669 40.809 42.510 -0.054 0.000 1.882 957 c HN 0.568 nan 8.230 nan 0.000 0.520 958 V N -0.064 119.826 119.914 -0.040 0.000 2.407 958 V HA 0.036 4.156 4.120 -0.000 0.000 0.245 958 V C 1.753 177.855 176.094 0.013 0.000 1.041 958 V CA 2.453 64.770 62.300 0.029 0.000 1.040 958 V CB -0.720 31.152 31.823 0.082 0.000 0.671 958 V HN 0.366 nan 8.190 nan 0.000 0.455 959 D N -0.431 119.952 120.400 -0.028 0.000 2.369 959 D HA 0.160 4.799 4.640 -0.000 0.000 0.211 959 D C 0.087 176.362 176.300 -0.042 0.000 1.077 959 D CA 0.178 54.172 54.000 -0.009 0.000 0.842 959 D CB 0.120 40.926 40.800 0.009 0.000 0.947 959 D HN 0.446 nan 8.370 nan 0.000 0.509 960 K N 0.126 120.420 120.400 -0.178 0.000 3.372 960 K HA -0.114 4.206 4.320 -0.000 0.000 0.272 960 K C -0.695 175.769 176.600 -0.228 0.000 1.037 960 K CA 0.189 56.339 56.287 -0.228 0.000 0.777 960 K CB -2.494 30.061 32.500 0.092 0.000 1.347 960 K HN 0.053 nan 8.250 nan 0.000 0.460 961 V N 0.655 120.329 119.914 -0.401 0.000 2.540 961 V HA 0.386 4.506 4.120 -0.000 0.000 0.302 961 V C 0.533 176.617 176.094 -0.017 0.000 1.035 961 V CA -1.129 61.095 62.300 -0.127 0.000 0.873 961 V CB 2.360 34.136 31.823 -0.079 0.000 0.992 961 V HN 0.138 nan 8.190 nan 0.000 0.428 962 V N 5.117 125.135 119.914 0.173 0.000 2.432 962 V HA 0.410 4.530 4.120 -0.000 0.000 0.275 962 V C -0.743 175.481 176.094 0.217 0.000 1.043 962 V CA -0.435 62.079 62.300 0.357 0.000 0.925 962 V CB 0.853 32.897 31.823 0.368 0.000 0.985 962 V HN 0.703 nan 8.190 nan 0.000 0.466 963 Y N 3.851 124.271 120.300 0.200 0.000 2.446 963 Y HA 0.737 5.287 4.550 -0.000 0.000 0.338 963 Y C -0.068 175.968 175.900 0.226 0.000 1.055 963 Y CA -0.648 57.472 58.100 0.032 0.000 1.101 963 Y CB 1.857 40.312 38.460 -0.010 0.000 1.221 963 Y HN 0.830 nan 8.280 nan 0.000 0.460 964 W N -0.099 121.330 121.300 0.215 0.000 3.074 964 W HA 0.723 5.383 4.660 -0.000 0.000 0.332 964 W C -1.712 174.865 176.519 0.095 0.000 1.253 964 W CA -1.366 56.077 57.345 0.164 0.000 1.180 964 W CB 0.602 30.144 29.460 0.137 0.000 1.445 964 W HN 0.566 nan 8.180 nan 0.000 0.573 965 T N -0.187 114.610 114.554 0.405 0.000 2.863 965 T HA 0.531 4.881 4.350 -0.000 0.000 0.285 965 T C -1.582 173.304 174.700 0.310 0.000 1.009 965 T CA -0.464 61.779 62.100 0.238 0.000 0.989 965 T CB 1.974 70.941 68.868 0.164 0.000 1.004 965 T HN 0.646 nan 8.240 nan 0.000 0.455 966 D N 1.990 122.525 120.400 0.225 0.000 2.593 966 D HA 0.356 4.996 4.640 -0.000 0.000 0.251 966 D C 0.998 177.351 176.300 0.089 0.000 1.140 966 D CA -1.064 53.034 54.000 0.163 0.000 0.855 966 D CB 0.979 41.898 40.800 0.198 0.000 1.267 966 D HN 0.670 nan 8.370 nan 0.000 0.532 967 I N 1.041 121.644 120.570 0.055 0.000 3.684 967 I HA 0.152 4.322 4.170 -0.000 0.000 0.304 967 I C 1.498 177.636 176.117 0.036 0.000 1.278 967 I CA -0.179 61.150 61.300 0.049 0.000 1.272 967 I CB 0.235 38.258 38.000 0.039 0.000 1.029 967 I HN 0.227 nan 8.210 nan 0.000 0.458 968 S N 1.511 117.228 115.700 0.028 0.000 2.348 968 S HA -0.180 4.290 4.470 -0.000 0.000 0.219 968 S C 2.016 176.633 174.600 0.029 0.000 1.033 968 S CA 1.612 59.825 58.200 0.023 0.000 0.974 968 S CB -0.178 63.031 63.200 0.015 0.000 0.868 968 S HN 0.656 nan 8.310 nan 0.000 0.459 969 E N 1.288 121.510 120.200 0.036 0.000 2.028 969 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 969 E C -1.390 175.229 176.600 0.030 0.000 0.988 969 E CA 0.638 57.057 56.400 0.032 0.000 0.799 969 E CB -0.535 29.188 29.700 0.037 0.000 0.755 969 E HN 0.513 nan 8.360 nan 0.000 0.447 970 P HA 0.184 nan 4.420 nan 0.000 0.284 970 P C -1.020 176.293 177.300 0.022 0.000 1.287 970 P CA -0.287 62.836 63.100 0.038 0.000 0.824 970 P CB 1.851 33.578 31.700 0.045 0.000 1.180 971 S N -1.316 114.396 115.700 0.019 0.000 2.636 971 S HA 0.611 5.081 4.470 -0.000 0.000 0.266 971 S C -1.295 173.263 174.600 -0.071 0.000 1.147 971 S CA -0.859 57.325 58.200 -0.026 0.000 0.815 971 S CB 0.493 63.703 63.200 0.017 0.000 1.119 971 S HN 0.317 nan 8.310 nan 0.000 0.470 972 I N 1.008 121.460 120.570 -0.197 0.000 2.466 972 I HA 0.712 4.882 4.170 -0.000 0.000 0.289 972 I C 0.439 176.291 176.117 -0.442 0.000 1.026 972 I CA -0.463 60.638 61.300 -0.331 0.000 1.078 972 I CB 1.948 39.652 38.000 -0.494 0.000 1.249 972 I HN 1.029 nan 8.210 nan 0.000 0.429 973 G N 5.096 113.350 108.800 -0.909 0.000 2.798 973 G HA2 0.886 4.846 3.960 -0.000 0.000 0.286 973 G HA3 0.886 4.846 3.960 -0.000 0.000 0.286 973 G C -1.506 172.307 174.900 -1.812 0.000 1.389 973 G CA -0.745 43.621 45.100 -1.223 0.000 0.894 973 G HN 0.694 nan 8.290 nan 0.000 0.488 974 R N -1.958 117.653 120.500 -1.482 0.000 2.692 974 R HA 0.819 5.159 4.340 -0.000 0.000 0.269 974 R C -1.430 174.618 176.300 -0.420 0.000 1.030 974 R CA -0.870 54.554 56.100 -1.125 0.000 0.882 974 R CB 1.624 31.197 30.300 -1.213 0.000 1.250 974 R HN 1.468 nan 8.270 nan 0.000 0.465 975 A N 1.159 123.948 122.820 -0.052 0.000 2.566 975 A HA 0.561 4.881 4.320 -0.000 0.000 0.297 975 A C -1.013 176.689 177.584 0.196 0.000 1.059 975 A CA -0.822 51.311 52.037 0.160 0.000 0.691 975 A CB 2.058 21.266 19.000 0.347 0.000 1.282 975 A HN 0.648 nan 8.150 nan 0.000 0.401 976 S N 0.696 116.475 115.700 0.133 0.000 2.568 976 S HA 0.176 4.646 4.470 -0.000 0.000 0.282 976 S C 1.417 176.162 174.600 0.242 0.000 1.338 976 S CA -0.190 58.089 58.200 0.132 0.000 1.045 976 S CB 0.749 64.012 63.200 0.104 0.000 0.873 976 S HN 0.969 nan 8.310 nan 0.000 0.516 977 L N 2.808 124.095 121.223 0.107 0.000 2.093 977 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 977 L C 0.655 177.512 176.870 -0.020 0.000 1.085 977 L CA 1.724 56.556 54.840 -0.012 0.000 0.755 977 L CB -0.288 41.609 42.059 -0.271 0.000 0.904 977 L HN 0.644 nan 8.230 nan 0.000 0.435 978 H N 0.054 119.220 119.070 0.160 0.000 2.908 978 H HA 0.429 4.985 4.556 -0.000 0.000 0.269 978 H C 1.215 176.600 175.328 0.094 0.000 1.303 978 H CA 0.293 56.404 56.048 0.104 0.000 1.341 978 H CB -0.052 29.753 29.762 0.072 0.000 1.519 978 H HN 0.403 nan 8.280 nan 0.000 0.505 979 G N 3.210 112.116 108.800 0.177 0.000 5.356 979 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.309 979 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.309 979 G C 0.726 175.658 174.900 0.055 0.000 1.451 979 G CA 0.334 45.491 45.100 0.094 0.000 0.978 979 G HN 1.123 nan 8.290 nan 0.000 0.771 980 G N 0.793 109.635 108.800 0.070 0.000 2.870 980 G HA2 0.212 4.172 3.960 -0.000 0.000 0.343 980 G HA3 0.212 4.172 3.960 -0.000 0.000 0.343 980 G C -0.076 174.825 174.900 0.002 0.000 0.114 980 G CA 1.545 46.674 45.100 0.049 0.000 1.244 980 G HN 1.576 nan 8.290 nan 0.000 0.569 981 E N 3.333 123.536 120.200 0.007 0.000 2.283 981 E HA 0.472 4.821 4.350 -0.000 0.000 0.278 981 E C -1.425 175.195 176.600 0.033 0.000 1.027 981 E CA -1.864 54.534 56.400 -0.003 0.000 0.843 981 E CB 0.763 30.464 29.700 0.001 0.000 1.062 981 E HN 0.398 nan 8.360 nan 0.000 0.401 982 P HA 0.071 nan 4.420 nan 0.000 0.271 982 P C -0.983 176.405 177.300 0.147 0.000 1.220 982 P CA -0.200 63.029 63.100 0.215 0.000 0.768 982 P CB 0.604 32.425 31.700 0.202 0.000 0.848 983 T N -0.872 113.735 114.554 0.088 0.000 2.881 983 T HA 0.392 4.742 4.350 -0.000 0.000 0.290 983 T C -0.200 174.445 174.700 -0.093 0.000 1.000 983 T CA -0.643 61.451 62.100 -0.010 0.000 0.978 983 T CB 0.760 69.594 68.868 -0.056 0.000 0.997 983 T HN 0.184 nan 8.240 nan 0.000 0.443 984 T N 3.656 118.181 114.554 -0.049 0.000 2.817 984 T HA 0.376 4.726 4.350 -0.000 0.000 0.293 984 T C 1.608 176.234 174.700 -0.123 0.000 0.964 984 T CA -0.717 61.328 62.100 -0.091 0.000 1.085 984 T CB 0.381 69.238 68.868 -0.018 0.000 0.921 984 T HN 0.750 nan 8.240 nan 0.000 0.502 985 I N 0.296 120.759 120.570 -0.179 0.000 3.339 985 I HA 0.462 4.632 4.170 -0.000 0.000 0.285 985 I C 0.124 176.166 176.117 -0.125 0.000 1.201 985 I CA 0.291 61.506 61.300 -0.142 0.000 1.434 985 I CB 0.354 38.267 38.000 -0.146 0.000 1.152 985 I HN 0.372 nan 8.210 nan 0.000 0.443 986 I N 1.086 121.558 120.570 -0.163 0.000 2.619 986 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 986 I C 0.141 176.189 176.117 -0.115 0.000 1.100 986 I CA -0.501 60.711 61.300 -0.146 0.000 1.043 986 I CB 2.435 40.290 38.000 -0.241 0.000 1.239 986 I HN 0.053 nan 8.210 nan 0.000 0.420 987 R N 1.801 122.264 120.500 -0.060 0.000 2.622 987 R HA 0.179 4.519 4.340 -0.000 0.000 0.180 987 R C -0.106 176.190 176.300 -0.006 0.000 0.813 987 R CA -0.469 55.612 56.100 -0.030 0.000 1.049 987 R CB 0.167 30.458 30.300 -0.015 0.000 1.438 987 R HN 0.481 nan 8.270 nan 0.000 0.636 988 Q N 1.752 121.553 119.800 0.001 0.000 2.432 988 Q HA -0.023 4.317 4.340 -0.000 0.000 0.264 988 Q C -0.198 175.826 176.000 0.040 0.000 1.035 988 Q CA 0.487 56.302 55.803 0.019 0.000 0.908 988 Q CB 0.280 29.029 28.738 0.017 0.000 1.280 988 Q HN 0.133 nan 8.270 nan 0.000 0.455 989 D N 0.224 120.650 120.400 0.044 0.000 2.706 989 D HA -0.207 4.433 4.640 -0.000 0.000 0.230 989 D C -1.372 174.985 176.300 0.095 0.000 1.184 989 D CA 0.657 54.693 54.000 0.061 0.000 0.628 989 D CB -0.831 40.005 40.800 0.059 0.000 1.019 989 D HN 0.380 nan 8.370 nan 0.000 0.415 990 L N -0.525 120.748 121.223 0.084 0.000 2.346 990 L HA 0.685 5.025 4.340 -0.000 0.000 0.274 990 L C 1.606 178.535 176.870 0.098 0.000 1.007 990 L CA -0.236 54.671 54.840 0.112 0.000 0.818 990 L CB 1.882 43.978 42.059 0.062 0.000 1.284 990 L HN 0.167 nan 8.230 nan 0.000 0.424 991 G N 0.203 109.078 108.800 0.125 0.000 2.606 991 G HA2 0.021 3.981 3.960 -0.000 0.000 0.213 991 G HA3 0.021 3.981 3.960 -0.000 0.000 0.213 991 G C -0.044 174.923 174.900 0.111 0.000 2.020 991 G CA 0.091 45.254 45.100 0.104 0.000 0.814 991 G HN 0.424 nan 8.290 nan 0.000 0.685 992 S N 2.408 118.190 115.700 0.137 0.000 2.259 992 S HA 0.498 4.968 4.470 -0.000 0.000 0.181 992 S C -2.881 171.836 174.600 0.194 0.000 1.589 992 S CA -1.221 57.068 58.200 0.149 0.000 1.234 992 S CB 1.274 64.565 63.200 0.151 0.000 1.119 992 S HN 0.193 nan 8.310 nan 0.000 0.458 993 P HA 0.263 nan 4.420 nan 0.000 0.276 993 P C -0.349 177.093 177.300 0.237 0.000 1.264 993 P CA 0.059 63.303 63.100 0.240 0.000 0.769 993 P CB 0.832 32.574 31.700 0.071 0.000 0.840 994 E N 1.702 122.077 120.200 0.292 0.000 2.641 994 E HA 0.295 4.645 4.350 -0.000 0.000 0.224 994 E C 0.618 177.417 176.600 0.331 0.000 0.951 994 E CA -0.298 56.294 56.400 0.320 0.000 1.102 994 E CB 1.055 30.973 29.700 0.363 0.000 1.091 994 E HN 0.564 nan 8.360 nan 0.000 0.507 995 G N 1.327 110.316 108.800 0.316 0.000 2.746 995 G HA2 0.618 4.578 3.960 -0.000 0.000 0.297 995 G HA3 0.618 4.578 3.960 -0.000 0.000 0.297 995 G C -1.768 173.331 174.900 0.332 0.000 1.426 995 G CA -0.482 44.799 45.100 0.302 0.000 0.989 995 G HN 0.067 nan 8.290 nan 0.000 0.520 996 I N 0.927 121.684 120.570 0.311 0.000 2.607 996 I HA 0.777 4.947 4.170 -0.000 0.000 0.290 996 I C -0.580 175.703 176.117 0.275 0.000 1.129 996 I CA -0.881 60.610 61.300 0.320 0.000 1.042 996 I CB 1.985 40.148 38.000 0.271 0.000 1.242 996 I HN 0.864 nan 8.210 nan 0.000 0.421 997 A N 7.414 130.405 122.820 0.285 0.000 2.469 997 A HA 0.920 5.240 4.320 -0.000 0.000 0.299 997 A C -1.704 176.034 177.584 0.256 0.000 1.098 997 A CA -0.632 51.547 52.037 0.238 0.000 0.737 997 A CB 1.702 20.814 19.000 0.186 0.000 1.312 997 A HN 0.655 nan 8.150 nan 0.000 0.414 998 L N 0.179 121.515 121.223 0.188 0.000 2.301 998 L HA 0.585 4.925 4.340 -0.000 0.000 0.264 998 L C -0.999 176.011 176.870 0.232 0.000 1.016 998 L CA -0.840 54.092 54.840 0.154 0.000 0.821 998 L CB 2.075 44.114 42.059 -0.034 0.000 1.346 998 L HN 0.694 nan 8.230 nan 0.000 0.429 999 D N -0.800 119.729 120.400 0.216 0.000 2.462 999 D HA 0.183 4.823 4.640 -0.000 0.000 0.249 999 D C 0.728 177.068 176.300 0.067 0.000 1.117 999 D CA -0.429 53.671 54.000 0.167 0.000 0.900 999 D CB 0.660 41.593 40.800 0.221 0.000 1.039 999 D HN 0.619 nan 8.370 nan 0.000 0.516 1000 H N 1.771 120.868 119.070 0.045 0.000 2.521 1000 H HA 0.069 4.625 4.556 -0.000 0.000 0.286 1000 H C 1.148 176.493 175.328 0.027 0.000 1.034 1000 H CA 0.781 56.841 56.048 0.020 0.000 1.278 1000 H CB 0.184 29.961 29.762 0.025 0.000 1.386 1000 H HN 0.321 nan 8.280 nan 0.000 0.567 1001 L N 0.085 121.069 121.223 -0.399 0.000 2.121 1001 L HA 0.163 4.503 4.340 -0.000 0.000 0.200 1001 L C 2.765 179.575 176.870 -0.100 0.000 1.077 1001 L CA 0.882 55.574 54.840 -0.247 0.000 0.766 1001 L CB -0.478 41.408 42.059 -0.289 0.000 0.931 1001 L HN 0.528 nan 8.230 nan 0.000 0.452 1002 G N -1.145 107.608 108.800 -0.077 0.000 2.650 1002 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.214 1002 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.214 1002 G C 0.445 175.328 174.900 -0.030 0.000 1.136 1002 G CA -0.236 44.841 45.100 -0.038 0.000 0.789 1002 G HN 0.264 nan 8.290 nan 0.000 0.536 1003 R N 0.040 120.526 120.500 -0.023 0.000 3.246 1003 R HA -0.133 4.207 4.340 -0.000 0.000 0.260 1003 R C -0.086 176.191 176.300 -0.039 0.000 1.034 1003 R CA 1.221 57.312 56.100 -0.016 0.000 0.691 1003 R CB -3.178 27.118 30.300 -0.008 0.000 1.186 1003 R HN 0.693 nan 8.270 nan 0.000 0.416 1004 T N -2.564 111.959 114.554 -0.052 0.000 2.883 1004 T HA 0.845 5.195 4.350 -0.000 0.000 0.296 1004 T C 0.586 175.210 174.700 -0.125 0.000 1.117 1004 T CA -0.999 61.028 62.100 -0.122 0.000 1.006 1004 T CB 2.803 71.535 68.868 -0.225 0.000 1.191 1004 T HN 0.349 nan 8.240 nan 0.000 0.508 1005 I N -1.400 119.067 120.570 -0.172 0.000 2.797 1005 I HA 0.905 5.075 4.170 -0.000 0.000 0.307 1005 I C -1.603 174.458 176.117 -0.093 0.000 1.033 1005 I CA -1.579 59.694 61.300 -0.045 0.000 1.071 1005 I CB 1.792 39.784 38.000 -0.013 0.000 1.255 1005 I HN 0.614 nan 8.210 nan 0.000 0.445 1006 F N 2.362 122.408 119.950 0.161 0.000 2.588 1006 F HA 0.693 5.220 4.527 -0.000 0.000 0.310 1006 F C -0.920 175.059 175.800 0.299 0.000 1.082 1006 F CA -0.328 57.747 58.000 0.124 0.000 0.929 1006 F CB 2.011 41.034 39.000 0.039 0.000 1.254 1006 F HN 0.813 nan 8.300 nan 0.000 0.455 1007 W N 0.554 121.949 121.300 0.159 0.000 3.137 1007 W HA 0.716 5.375 4.660 -0.000 0.000 0.324 1007 W C -1.746 174.808 176.519 0.059 0.000 1.253 1007 W CA -1.324 56.087 57.345 0.111 0.000 1.183 1007 W CB 0.643 30.155 29.460 0.087 0.000 1.424 1007 W HN 0.603 nan 8.180 nan 0.000 0.566 1008 T N 0.274 115.000 114.554 0.286 0.000 2.902 1008 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 1008 T C -1.314 173.546 174.700 0.266 0.000 1.009 1008 T CA -0.471 61.704 62.100 0.124 0.000 1.051 1008 T CB 1.893 70.838 68.868 0.128 0.000 0.999 1008 T HN 0.596 nan 8.240 nan 0.000 0.474 1009 D N 1.270 121.754 120.400 0.139 0.000 2.476 1009 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 1009 D C 0.810 177.166 176.300 0.093 0.000 1.291 1009 D CA -0.564 53.547 54.000 0.184 0.000 0.939 1009 D CB 1.782 42.700 40.800 0.196 0.000 1.221 1009 D HN 0.598 nan 8.370 nan 0.000 0.567 1010 S N 2.316 118.084 115.700 0.113 0.000 2.603 1010 S HA -0.045 4.425 4.470 -0.000 0.000 0.220 1010 S C 1.308 175.933 174.600 0.042 0.000 0.967 1010 S CA 0.255 58.488 58.200 0.056 0.000 0.920 1010 S CB 0.565 63.823 63.200 0.096 0.000 0.773 1010 S HN 0.551 nan 8.310 nan 0.000 0.529 1011 Q N 0.806 120.646 119.800 0.068 0.000 2.389 1011 Q HA 0.317 4.657 4.340 -0.000 0.000 0.201 1011 Q C 1.707 177.729 176.000 0.038 0.000 0.956 1011 Q CA 0.255 56.092 55.803 0.057 0.000 0.871 1011 Q CB -0.043 28.741 28.738 0.077 0.000 0.990 1011 Q HN 0.538 nan 8.270 nan 0.000 0.554 1012 L N 1.233 122.485 121.223 0.048 0.000 2.552 1012 L HA -0.008 4.332 4.340 -0.000 0.000 0.227 1012 L C -0.481 176.391 176.870 0.003 0.000 1.146 1012 L CA 0.129 54.987 54.840 0.030 0.000 0.858 1012 L CB -0.044 42.044 42.059 0.047 0.000 0.969 1012 L HN 0.314 nan 8.230 nan 0.000 0.451 1013 D N 1.720 122.117 120.400 -0.004 0.000 2.828 1013 D HA -0.178 4.462 4.640 -0.000 0.000 0.241 1013 D C 0.172 176.440 176.300 -0.053 0.000 1.142 1013 D CA 0.744 54.724 54.000 -0.032 0.000 0.755 1013 D CB -0.531 40.248 40.800 -0.035 0.000 1.014 1013 D HN 0.602 nan 8.370 nan 0.000 0.420 1014 R N -1.134 119.321 120.500 -0.075 0.000 2.747 1014 R HA 0.759 5.099 4.340 -0.000 0.000 0.272 1014 R C -1.115 175.049 176.300 -0.227 0.000 1.032 1014 R CA -1.035 54.986 56.100 -0.133 0.000 0.896 1014 R CB 1.170 31.393 30.300 -0.129 0.000 1.253 1014 R HN 0.033 nan 8.270 nan 0.000 0.461 1015 I N 1.256 121.649 120.570 -0.295 0.000 2.439 1015 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 1015 I C -0.420 175.386 176.117 -0.518 0.000 1.021 1015 I CA -0.603 60.455 61.300 -0.403 0.000 1.091 1015 I CB 2.082 39.857 38.000 -0.375 0.000 1.242 1015 I HN 0.527 nan 8.210 nan 0.000 0.439 1016 E N 4.812 124.465 120.200 -0.912 0.000 2.235 1016 E HA 0.669 5.019 4.350 -0.000 0.000 0.265 1016 E C -1.327 174.719 176.600 -0.924 0.000 0.940 1016 E CA -0.859 54.918 56.400 -1.037 0.000 0.819 1016 E CB 3.553 32.349 29.700 -1.505 0.000 1.206 1016 E HN 0.255 nan 8.360 nan 0.000 0.409 1017 V N 0.244 119.762 119.914 -0.660 0.000 2.876 1017 V HA 0.880 5.000 4.120 -0.000 0.000 0.312 1017 V C -1.531 174.373 176.094 -0.315 0.000 1.085 1017 V CA -0.220 61.721 62.300 -0.598 0.000 0.945 1017 V CB 1.571 32.932 31.823 -0.770 0.000 1.017 1017 V HN 0.862 nan 8.190 nan 0.000 0.428 1018 A N 4.975 127.686 122.820 -0.182 0.000 2.599 1018 A HA 0.702 5.021 4.320 -0.000 0.000 0.290 1018 A C -0.994 176.548 177.584 -0.070 0.000 1.101 1018 A CA -0.943 51.071 52.037 -0.039 0.000 0.674 1018 A CB 1.372 20.477 19.000 0.173 0.000 1.277 1018 A HN 0.804 nan 8.150 nan 0.000 0.419 1019 K N 0.522 120.897 120.400 -0.040 0.000 2.230 1019 K HA 0.180 4.500 4.320 -0.000 0.000 0.253 1019 K C 1.106 177.703 176.600 -0.006 0.000 1.008 1019 K CA -0.574 55.692 56.287 -0.036 0.000 0.910 1019 K CB 0.162 32.649 32.500 -0.023 0.000 0.994 1019 K HN 0.640 nan 8.250 nan 0.000 0.495 1020 M N 1.569 121.174 119.600 0.007 0.000 2.144 1020 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 1020 M C 1.182 177.551 176.300 0.115 0.000 1.067 1020 M CA 1.767 57.114 55.300 0.078 0.000 1.095 1020 M CB -1.115 31.548 32.600 0.105 0.000 1.365 1020 M HN 0.645 nan 8.290 nan 0.000 0.406 1021 D N -1.106 119.321 120.400 0.044 0.000 2.336 1021 D HA 0.196 4.836 4.640 -0.000 0.000 0.229 1021 D C 1.344 177.638 176.300 -0.010 0.000 1.061 1021 D CA 0.867 54.874 54.000 0.011 0.000 0.875 1021 D CB -0.533 40.265 40.800 -0.003 0.000 0.904 1021 D HN 0.503 nan 8.370 nan 0.000 0.525 1022 G N -0.066 108.736 108.800 0.002 0.000 2.176 1022 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 1022 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 1022 G C 0.532 175.437 174.900 0.009 0.000 0.979 1022 G CA 0.596 45.690 45.100 -0.011 0.000 0.641 1022 G HN 0.804 nan 8.290 nan 0.000 0.530 1023 T N -2.573 111.982 114.554 0.003 0.000 2.847 1023 T HA 0.567 4.917 4.350 -0.000 0.000 0.279 1023 T C 0.545 175.244 174.700 -0.001 0.000 0.984 1023 T CA 0.777 62.878 62.100 0.001 0.000 0.988 1023 T CB 1.253 70.117 68.868 -0.007 0.000 1.040 1023 T HN 1.012 nan 8.240 nan 0.000 0.528 1024 Q N 0.032 119.828 119.800 -0.007 0.000 2.463 1024 Q HA -0.160 4.179 4.340 -0.000 0.000 0.299 1024 Q C -0.239 175.743 176.000 -0.029 0.000 1.353 1024 Q CA 0.139 55.929 55.803 -0.022 0.000 0.828 1024 Q CB -0.978 27.739 28.738 -0.035 0.000 1.157 1024 Q HN 0.555 nan 8.270 nan 0.000 0.436 1025 R N 0.869 121.368 120.500 -0.001 0.000 2.679 1025 R HA 0.296 4.635 4.340 -0.000 0.000 0.268 1025 R C 0.405 176.662 176.300 -0.072 0.000 1.044 1025 R CA 0.428 56.528 56.100 0.000 0.000 1.105 1025 R CB 0.573 30.915 30.300 0.070 0.000 0.989 1025 R HN 0.293 nan 8.270 nan 0.000 0.447 1026 R N 1.343 121.756 120.500 -0.146 0.000 2.548 1026 R HA 0.191 4.531 4.340 -0.000 0.000 0.280 1026 R C -1.504 174.640 176.300 -0.260 0.000 1.061 1026 R CA -0.569 55.424 56.100 -0.180 0.000 0.915 1026 R CB 1.585 31.774 30.300 -0.186 0.000 1.210 1026 R HN 0.341 nan 8.270 nan 0.000 0.442 1027 V N 6.588 126.364 119.914 -0.229 0.000 2.387 1027 V HA 0.048 4.168 4.120 -0.000 0.000 0.260 1027 V C 1.209 177.112 176.094 -0.319 0.000 1.054 1027 V CA -0.140 62.000 62.300 -0.267 0.000 0.967 1027 V CB 0.814 32.528 31.823 -0.181 0.000 1.036 1027 V HN 0.784 nan 8.190 nan 0.000 0.481 1028 L N 5.762 126.729 121.223 -0.426 0.000 2.027 1028 L HA 0.205 4.545 4.340 -0.000 0.000 0.206 1028 L C 0.202 176.523 176.870 -0.916 0.000 1.074 1028 L CA 1.948 56.391 54.840 -0.661 0.000 0.745 1028 L CB -0.040 41.633 42.059 -0.644 0.000 0.898 1028 L HN 0.481 nan 8.230 nan 0.000 0.433 1029 F N -0.970 118.846 119.950 -0.224 0.000 2.601 1029 F HA 0.365 4.892 4.527 -0.000 0.000 0.309 1029 F C -0.165 175.521 175.800 -0.191 0.000 1.089 1029 F CA -1.149 56.735 58.000 -0.194 0.000 0.940 1029 F CB 1.620 40.469 39.000 -0.252 0.000 1.273 1029 F HN 0.023 nan 8.300 nan 0.000 0.450 1030 D N -1.210 119.230 120.400 0.068 0.000 2.640 1030 D HA 0.115 4.755 4.640 -0.000 0.000 0.282 1030 D C -0.512 175.790 176.300 0.005 0.000 1.558 1030 D CA -0.004 53.994 54.000 -0.004 0.000 0.820 1030 D CB -0.219 40.558 40.800 -0.038 0.000 1.243 1030 D HN 0.462 nan 8.370 nan 0.000 0.456 1031 T N -4.011 110.561 114.554 0.029 0.000 2.907 1031 T HA 0.566 4.915 4.350 -0.000 0.000 0.292 1031 T C 1.045 175.750 174.700 0.008 0.000 1.043 1031 T CA -0.235 61.873 62.100 0.014 0.000 1.003 1031 T CB 1.769 70.650 68.868 0.023 0.000 1.084 1031 T HN 0.549 nan 8.240 nan 0.000 0.483 1032 G N 1.005 109.802 108.800 -0.006 0.000 2.168 1032 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.257 1032 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.257 1032 G C -0.157 174.738 174.900 -0.009 0.000 0.997 1032 G CA 0.391 45.485 45.100 -0.011 0.000 0.708 1032 G HN 0.910 nan 8.290 nan 0.000 0.520 1033 L N -0.250 120.960 121.223 -0.022 0.000 2.333 1033 L HA 0.594 4.934 4.340 -0.000 0.000 0.280 1033 L C 1.120 177.948 176.870 -0.070 0.000 1.004 1033 L CA -1.029 53.788 54.840 -0.037 0.000 0.820 1033 L CB 1.873 43.898 42.059 -0.057 0.000 1.247 1033 L HN -0.045 nan 8.230 nan 0.000 0.416 1034 V N 1.758 121.606 119.914 -0.111 0.000 2.948 1034 V HA 0.123 4.243 4.120 -0.000 0.000 0.234 1034 V C 0.516 176.453 176.094 -0.260 0.000 1.205 1034 V CA 0.423 62.627 62.300 -0.160 0.000 1.234 1034 V CB 0.443 32.165 31.823 -0.168 0.000 1.020 1034 V HN 0.794 nan 8.190 nan 0.000 0.491 1035 N N 0.886 119.356 118.700 -0.383 0.000 2.672 1035 N HA 0.239 4.979 4.740 -0.000 0.000 0.295 1035 N C -2.904 172.387 175.510 -0.365 0.000 1.924 1035 N CA -0.958 51.712 53.050 -0.635 0.000 0.851 1035 N CB 1.698 39.174 38.487 -1.685 0.000 1.281 1035 N HN 0.369 nan 8.380 nan 0.000 0.494 1036 P HA 0.039 nan 4.420 nan 0.000 0.269 1036 P C -0.131 177.262 177.300 0.155 0.000 1.215 1036 P CA 0.196 63.328 63.100 0.052 0.000 0.780 1036 P CB 2.291 33.984 31.700 -0.012 0.000 0.898 1037 R N 1.567 122.207 120.500 0.233 0.000 5.324 1037 R HA 0.250 4.590 4.340 -0.000 0.000 0.103 1037 R C 0.793 177.217 176.300 0.207 0.000 0.980 1037 R CA 0.248 56.506 56.100 0.263 0.000 0.877 1037 R CB -0.235 30.275 30.300 0.351 0.000 1.354 1037 R HN 0.541 nan 8.270 nan 0.000 0.391 1038 G N 2.118 111.016 108.800 0.163 0.000 2.441 1038 G HA2 0.398 4.358 3.960 -0.000 0.000 0.243 1038 G HA3 0.398 4.358 3.960 -0.000 0.000 0.243 1038 G C -0.751 174.291 174.900 0.237 0.000 1.281 1038 G CA -0.097 45.097 45.100 0.156 0.000 0.854 1038 G HN 0.391 nan 8.290 nan 0.000 0.560 1039 I N 1.783 122.498 120.570 0.241 0.000 2.710 1039 I HA 0.508 4.678 4.170 -0.000 0.000 0.290 1039 I C -0.790 175.470 176.117 0.237 0.000 1.318 1039 I CA -0.901 60.562 61.300 0.271 0.000 1.045 1039 I CB 2.117 40.264 38.000 0.245 0.000 1.307 1039 I HN 0.566 nan 8.210 nan 0.000 0.424 1040 V N 2.301 122.359 119.914 0.240 0.000 3.159 1040 V HA 0.836 4.956 4.120 -0.000 0.000 0.308 1040 V C -0.398 175.790 176.094 0.157 0.000 1.190 1040 V CA -0.336 62.094 62.300 0.217 0.000 1.037 1040 V CB 1.570 33.548 31.823 0.260 0.000 1.060 1040 V HN 0.796 nan 8.190 nan 0.000 0.437 1041 T N -1.381 113.242 114.554 0.116 0.000 2.926 1041 T HA 0.748 5.098 4.350 -0.000 0.000 0.289 1041 T C -1.034 173.727 174.700 0.102 0.000 1.054 1041 T CA -0.206 61.901 62.100 0.013 0.000 1.015 1041 T CB 1.960 70.802 68.868 -0.044 0.000 1.167 1041 T HN 0.992 nan 8.240 nan 0.000 0.526 1042 D N 0.655 121.068 120.400 0.022 0.000 2.621 1042 D HA 0.394 5.034 4.640 -0.000 0.000 0.274 1042 D C -2.058 174.269 176.300 0.045 0.000 1.215 1042 D CA -2.237 51.800 54.000 0.062 0.000 0.810 1042 D CB 1.108 41.822 40.800 -0.143 0.000 1.248 1042 D HN 0.135 nan 8.370 nan 0.000 0.517 1043 P HA -0.200 nan 4.420 nan 0.000 0.217 1043 P C 1.562 178.866 177.300 0.006 0.000 1.151 1043 P CA 0.803 63.919 63.100 0.026 0.000 0.849 1043 P CB 0.434 32.126 31.700 -0.012 0.000 0.787 1044 V N -0.736 119.221 119.914 0.073 0.000 2.343 1044 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 1044 V C 2.044 178.156 176.094 0.030 0.000 1.051 1044 V CA 1.888 64.224 62.300 0.061 0.000 1.036 1044 V CB -0.975 30.919 31.823 0.118 0.000 0.654 1044 V HN 0.040 nan 8.190 nan 0.000 0.451 1045 R N -0.051 120.466 120.500 0.029 0.000 2.334 1045 R HA 0.340 4.680 4.340 -0.000 0.000 0.216 1045 R C 1.463 177.721 176.300 -0.068 0.000 0.905 1045 R CA 0.673 56.770 56.100 -0.005 0.000 1.064 1045 R CB 0.187 30.503 30.300 0.027 0.000 1.046 1045 R HN 0.532 nan 8.270 nan 0.000 0.508 1046 G N 1.024 109.778 108.800 -0.075 0.000 2.198 1046 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 1046 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 1046 G C -0.662 174.153 174.900 -0.142 0.000 1.042 1046 G CA -0.123 44.910 45.100 -0.111 0.000 0.791 1046 G HN 0.266 nan 8.290 nan 0.000 0.502 1047 N N -0.726 117.862 118.700 -0.186 0.000 2.370 1047 N HA 0.704 5.444 4.740 -0.000 0.000 0.303 1047 N C -0.750 174.470 175.510 -0.483 0.000 1.103 1047 N CA -0.562 52.282 53.050 -0.342 0.000 0.848 1047 N CB 2.119 40.330 38.487 -0.460 0.000 1.235 1047 N HN 0.243 nan 8.380 nan 0.000 0.496 1048 L N 2.178 123.067 121.223 -0.556 0.000 2.346 1048 L HA 0.555 4.895 4.340 -0.000 0.000 0.276 1048 L C -1.665 174.907 176.870 -0.497 0.000 1.006 1048 L CA -0.552 54.050 54.840 -0.398 0.000 0.817 1048 L CB 0.910 42.866 42.059 -0.171 0.000 1.272 1048 L HN 0.444 nan 8.230 nan 0.000 0.421 1049 Y N 3.051 123.391 120.300 0.067 0.000 2.492 1049 Y HA 0.645 5.195 4.550 -0.000 0.000 0.346 1049 Y C -0.947 175.085 175.900 0.220 0.000 0.997 1049 Y CA -0.483 57.623 58.100 0.011 0.000 1.025 1049 Y CB 1.608 40.043 38.460 -0.043 0.000 1.263 1049 Y HN 0.729 nan 8.280 nan 0.000 0.454 1050 W N 0.147 121.490 121.300 0.072 0.000 3.074 1050 W HA 0.777 5.437 4.660 -0.000 0.000 0.332 1050 W C -1.617 174.883 176.519 -0.031 0.000 1.253 1050 W CA -1.290 56.071 57.345 0.027 0.000 1.180 1050 W CB 0.810 30.271 29.460 0.003 0.000 1.445 1050 W HN 0.585 nan 8.180 nan 0.000 0.573 1051 T N -0.294 114.397 114.554 0.228 0.000 2.918 1051 T HA 0.523 4.873 4.350 -0.000 0.000 0.286 1051 T C -1.503 173.310 174.700 0.190 0.000 1.026 1051 T CA -0.507 61.627 62.100 0.056 0.000 1.031 1051 T CB 1.974 70.849 68.868 0.011 0.000 1.046 1051 T HN 0.625 nan 8.240 nan 0.000 0.479 1052 D N 1.994 122.440 120.400 0.077 0.000 2.476 1052 D HA 0.164 4.804 4.640 -0.000 0.000 0.251 1052 D C 0.436 176.748 176.300 0.020 0.000 1.291 1052 D CA -0.858 53.169 54.000 0.046 0.000 0.939 1052 D CB 0.693 41.513 40.800 0.034 0.000 1.221 1052 D HN 0.831 nan 8.370 nan 0.000 0.567 1053 W N 3.810 125.099 121.300 -0.019 0.000 3.391 1053 W HA 0.143 4.803 4.660 -0.000 0.000 0.275 1053 W C 0.089 176.599 176.519 -0.014 0.000 1.318 1053 W CA -0.818 56.504 57.345 -0.038 0.000 1.665 1053 W CB -1.420 28.019 29.460 -0.036 0.000 1.078 1053 W HN 0.371 nan 8.180 nan 0.000 0.732 1054 N N 2.747 121.348 118.700 -0.165 0.000 2.068 1054 N HA -0.195 4.545 4.740 -0.000 0.000 0.290 1054 N C 1.563 177.070 175.510 -0.006 0.000 1.372 1054 N CA 0.055 53.005 53.050 -0.168 0.000 0.863 1054 N CB 0.603 39.016 38.487 -0.124 0.000 1.174 1054 N HN -0.053 nan 8.380 nan 0.000 0.494 1055 R N 2.755 123.285 120.500 0.050 0.000 2.140 1055 R HA -0.203 4.137 4.340 -0.000 0.000 0.250 1055 R C 0.687 177.022 176.300 0.058 0.000 1.150 1055 R CA 1.634 57.806 56.100 0.120 0.000 0.966 1055 R CB -0.375 30.009 30.300 0.140 0.000 0.869 1055 R HN 0.743 nan 8.270 nan 0.000 0.445 1056 D N -0.238 120.174 120.400 0.020 0.000 2.183 1056 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 1056 D C 0.041 176.337 176.300 -0.006 0.000 0.962 1056 D CA 0.867 54.872 54.000 0.008 0.000 0.849 1056 D CB -0.020 40.779 40.800 -0.000 0.000 0.978 1056 D HN 0.204 nan 8.370 nan 0.000 0.488 1057 N N 0.918 119.605 118.700 -0.022 0.000 2.752 1057 N HA 0.166 4.905 4.740 -0.000 0.000 0.260 1057 N C -2.700 172.779 175.510 -0.051 0.000 1.562 1057 N CA -0.851 52.177 53.050 -0.037 0.000 0.788 1057 N CB 2.254 40.715 38.487 -0.043 0.000 1.192 1057 N HN 0.001 nan 8.380 nan 0.000 0.503 1058 P HA 0.093 nan 4.420 nan 0.000 0.269 1058 P C -0.821 176.407 177.300 -0.121 0.000 1.209 1058 P CA 0.090 63.157 63.100 -0.055 0.000 0.776 1058 P CB 1.047 32.731 31.700 -0.027 0.000 0.876 1059 K N 0.923 121.223 120.400 -0.165 0.000 2.575 1059 K HA 0.576 4.896 4.320 -0.000 0.000 0.279 1059 K C -1.282 175.103 176.600 -0.359 0.000 0.969 1059 K CA -1.021 55.114 56.287 -0.254 0.000 0.868 1059 K CB 1.214 33.589 32.500 -0.209 0.000 1.457 1059 K HN 0.098 nan 8.250 nan 0.000 0.426 1060 I N 1.932 122.218 120.570 -0.473 0.000 2.389 1060 I HA 0.345 4.515 4.170 -0.000 0.000 0.288 1060 I C -0.315 175.474 176.117 -0.546 0.000 0.999 1060 I CA -0.362 60.612 61.300 -0.544 0.000 1.129 1060 I CB 1.263 38.838 38.000 -0.707 0.000 1.288 1060 I HN 0.721 nan 8.210 nan 0.000 0.444 1061 E N 3.042 122.744 120.200 -0.829 0.000 2.281 1061 E HA 0.662 5.012 4.350 -0.000 0.000 0.262 1061 E C -0.758 175.169 176.600 -1.121 0.000 0.933 1061 E CA -0.714 55.041 56.400 -1.075 0.000 0.809 1061 E CB 3.089 31.845 29.700 -1.573 0.000 1.242 1061 E HN 0.491 nan 8.360 nan 0.000 0.418 1062 T N -0.040 113.994 114.554 -0.867 0.000 2.883 1062 T HA 0.606 4.956 4.350 -0.000 0.000 0.301 1062 T C -1.502 172.926 174.700 -0.452 0.000 1.158 1062 T CA -0.375 61.352 62.100 -0.622 0.000 1.007 1062 T CB 1.447 70.108 68.868 -0.344 0.000 1.186 1062 T HN 0.584 nan 8.240 nan 0.000 0.499 1063 S N 1.478 117.034 115.700 -0.241 0.000 2.615 1063 S HA 0.475 4.945 4.470 -0.000 0.000 0.268 1063 S C -1.206 173.411 174.600 0.029 0.000 1.146 1063 S CA -0.920 57.267 58.200 -0.022 0.000 0.818 1063 S CB 0.548 63.937 63.200 0.314 0.000 1.111 1063 S HN 0.863 nan 8.310 nan 0.000 0.465 1064 H N 0.344 119.422 119.070 0.014 0.000 2.679 1064 H HA 0.294 4.850 4.556 -0.000 0.000 0.369 1064 H C 1.103 176.440 175.328 0.014 0.000 1.178 1064 H CA -0.278 55.754 56.048 -0.026 0.000 1.419 1064 H CB 0.556 30.320 29.762 0.003 0.000 1.458 1064 H HN 0.522 nan 8.280 nan 0.000 0.605 1065 M N 1.137 120.789 119.600 0.086 0.000 2.374 1065 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 1065 M C 1.059 177.483 176.300 0.207 0.000 1.067 1065 M CA 1.248 56.601 55.300 0.089 0.000 1.103 1065 M CB -0.084 32.547 32.600 0.052 0.000 1.402 1065 M HN 0.652 nan 8.290 nan 0.000 0.444 1066 D N -1.063 119.422 120.400 0.142 0.000 2.355 1066 D HA 0.062 4.701 4.640 -0.000 0.000 0.218 1066 D C 1.337 177.659 176.300 0.038 0.000 1.004 1066 D CA 0.970 55.020 54.000 0.084 0.000 0.880 1066 D CB -0.195 40.642 40.800 0.061 0.000 0.911 1066 D HN 0.390 nan 8.370 nan 0.000 0.528 1067 G N -0.487 108.355 108.800 0.069 0.000 2.195 1067 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.224 1067 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.224 1067 G C 0.529 175.496 174.900 0.111 0.000 0.990 1067 G CA 0.365 45.427 45.100 -0.064 0.000 0.639 1067 G HN 0.808 nan 8.290 nan 0.000 0.514 1068 T N -2.008 112.625 114.554 0.132 0.000 2.862 1068 T HA 0.508 4.858 4.350 -0.000 0.000 0.276 1068 T C 0.628 175.279 174.700 -0.082 0.000 0.974 1068 T CA 0.591 62.729 62.100 0.063 0.000 0.966 1068 T CB 0.995 69.900 68.868 0.062 0.000 1.072 1068 T HN 0.984 nan 8.240 nan 0.000 0.538 1069 N N -0.388 118.209 118.700 -0.172 0.000 2.727 1069 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 1069 N C -0.190 175.210 175.510 -0.183 0.000 1.048 1069 N CA 0.584 53.463 53.050 -0.285 0.000 0.714 1069 N CB -1.173 36.886 38.487 -0.713 0.000 0.959 1069 N HN 0.712 nan 8.380 nan 0.000 0.544 1070 R N 1.713 122.175 120.500 -0.062 0.000 2.491 1070 R HA 0.350 4.690 4.340 -0.000 0.000 0.283 1070 R C 0.224 176.426 176.300 -0.163 0.000 1.072 1070 R CA -0.103 55.928 56.100 -0.114 0.000 1.048 1070 R CB 0.521 30.742 30.300 -0.131 0.000 0.983 1070 R HN 0.453 nan 8.270 nan 0.000 0.450 1071 R N 3.389 123.747 120.500 -0.238 0.000 2.664 1071 R HA 0.290 4.630 4.340 -0.000 0.000 0.266 1071 R C -1.222 174.913 176.300 -0.276 0.000 1.046 1071 R CA -0.907 55.067 56.100 -0.209 0.000 0.885 1071 R CB 0.690 30.896 30.300 -0.157 0.000 1.254 1071 R HN 0.410 nan 8.270 nan 0.000 0.465 1072 I N 2.583 123.019 120.570 -0.222 0.000 2.441 1072 I HA 0.051 4.221 4.170 -0.000 0.000 0.287 1072 I C 0.601 176.600 176.117 -0.197 0.000 1.049 1072 I CA -0.530 60.626 61.300 -0.242 0.000 1.381 1072 I CB 1.233 39.122 38.000 -0.185 0.000 1.409 1072 I HN 0.544 nan 8.210 nan 0.000 0.523 1073 L N 6.307 127.397 121.223 -0.222 0.000 2.286 1073 L HA 0.400 4.740 4.340 -0.000 0.000 0.203 1073 L C 0.676 177.473 176.870 -0.122 0.000 1.068 1073 L CA 0.952 55.708 54.840 -0.140 0.000 0.811 1073 L CB -0.031 41.958 42.059 -0.116 0.000 0.989 1073 L HN 0.724 nan 8.230 nan 0.000 0.467 1074 A N -1.689 121.006 122.820 -0.208 0.000 2.486 1074 A HA 0.606 4.926 4.320 -0.000 0.000 0.300 1074 A C 0.028 177.480 177.584 -0.221 0.000 1.048 1074 A CA -0.295 51.629 52.037 -0.187 0.000 0.696 1074 A CB 1.733 20.569 19.000 -0.273 0.000 1.278 1074 A HN 0.177 nan 8.150 nan 0.000 0.405 1075 Q N 0.196 119.914 119.800 -0.137 0.000 2.485 1075 Q HA 0.108 4.447 4.340 -0.000 0.000 0.228 1075 Q C -0.713 175.242 176.000 -0.076 0.000 0.763 1075 Q CA -0.135 55.595 55.803 -0.122 0.000 0.959 1075 Q CB 0.568 29.247 28.738 -0.097 0.000 1.314 1075 Q HN 0.832 nan 8.270 nan 0.000 0.508 1076 D N 1.247 121.622 120.400 -0.042 0.000 2.344 1076 D HA 0.126 4.766 4.640 -0.000 0.000 0.244 1076 D C -0.494 175.812 176.300 0.010 0.000 1.134 1076 D CA 0.233 54.225 54.000 -0.014 0.000 0.930 1076 D CB 0.599 41.397 40.800 -0.004 0.000 1.175 1076 D HN 0.243 nan 8.370 nan 0.000 0.437 1077 N N -0.675 118.035 118.700 0.016 0.000 2.716 1077 N HA -0.205 4.535 4.740 -0.000 0.000 0.250 1077 N C -1.007 174.535 175.510 0.054 0.000 1.033 1077 N CA 0.156 53.227 53.050 0.035 0.000 0.727 1077 N CB -0.905 37.610 38.487 0.047 0.000 0.950 1077 N HN 0.288 nan 8.380 nan 0.000 0.541 1078 L N -1.136 120.097 121.223 0.016 0.000 2.362 1078 L HA 0.630 4.970 4.340 -0.000 0.000 0.271 1078 L C 1.367 178.228 176.870 -0.015 0.000 1.002 1078 L CA -0.509 54.331 54.840 -0.001 0.000 0.818 1078 L CB 1.934 43.935 42.059 -0.096 0.000 1.298 1078 L HN 0.198 nan 8.230 nan 0.000 0.420 1079 G N 2.467 111.252 108.800 -0.025 0.000 2.621 1079 G HA2 0.310 4.270 3.960 -0.000 0.000 0.209 1079 G HA3 0.310 4.270 3.960 -0.000 0.000 0.209 1079 G C 0.087 174.978 174.900 -0.015 0.000 1.379 1079 G CA -0.038 45.043 45.100 -0.032 0.000 0.766 1079 G HN 0.322 nan 8.290 nan 0.000 0.599 1080 L N 2.887 124.062 121.223 -0.080 0.000 2.488 1080 L HA 0.334 4.674 4.340 -0.000 0.000 0.250 1080 L C -2.563 174.231 176.870 -0.127 0.000 1.280 1080 L CA -1.560 53.234 54.840 -0.077 0.000 0.929 1080 L CB 2.212 44.135 42.059 -0.226 0.000 1.200 1080 L HN 0.119 nan 8.230 nan 0.000 0.495 1081 P HA 0.114 nan 4.420 nan 0.000 0.271 1081 P C -0.290 176.967 177.300 -0.072 0.000 1.380 1081 P CA -0.013 63.033 63.100 -0.089 0.000 0.992 1081 P CB 0.897 32.442 31.700 -0.258 0.000 1.230 1082 N N 1.832 120.421 118.700 -0.184 0.000 2.333 1082 N HA 0.040 4.780 4.740 -0.000 0.000 0.178 1082 N C 1.143 176.494 175.510 -0.264 0.000 1.018 1082 N CA 0.898 53.760 53.050 -0.313 0.000 0.882 1082 N CB 0.195 38.334 38.487 -0.580 0.000 0.984 1082 N HN 0.460 nan 8.380 nan 0.000 0.434 1083 G N 0.012 108.724 108.800 -0.148 0.000 2.690 1083 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 1083 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 1083 G C -1.363 173.584 174.900 0.079 0.000 1.399 1083 G CA -0.564 44.507 45.100 -0.048 0.000 0.890 1083 G HN 0.121 nan 8.290 nan 0.000 0.485 1084 L N -1.375 119.924 121.223 0.128 0.000 2.403 1084 L HA 1.019 5.359 4.340 -0.000 0.000 0.253 1084 L C -1.030 175.943 176.870 0.171 0.000 1.045 1084 L CA -0.829 54.120 54.840 0.181 0.000 0.845 1084 L CB 2.192 44.375 42.059 0.207 0.000 1.447 1084 L HN 0.739 nan 8.230 nan 0.000 0.411 1085 T N 0.155 114.806 114.554 0.162 0.000 2.889 1085 T HA 0.616 4.965 4.350 -0.000 0.000 0.315 1085 T C -2.033 172.768 174.700 0.168 0.000 1.291 1085 T CA -0.295 61.907 62.100 0.169 0.000 1.028 1085 T CB 1.553 70.509 68.868 0.147 0.000 1.235 1085 T HN 0.576 nan 8.240 nan 0.000 0.491 1086 F N 2.643 122.607 119.950 0.022 0.000 2.529 1086 F HA 0.623 5.150 4.527 -0.000 0.000 0.320 1086 F C -0.765 175.054 175.800 0.032 0.000 1.118 1086 F CA -0.845 57.134 58.000 -0.035 0.000 0.915 1086 F CB 1.731 40.682 39.000 -0.081 0.000 1.161 1086 F HN 0.597 nan 8.300 nan 0.000 0.445 1087 D N 4.471 124.496 120.400 -0.624 0.000 2.441 1087 D HA 0.493 5.133 4.640 -0.000 0.000 0.231 1087 D C 0.680 176.653 176.300 -0.545 0.000 1.073 1087 D CA 0.067 53.850 54.000 -0.363 0.000 0.850 1087 D CB 1.744 42.408 40.800 -0.226 0.000 1.062 1087 D HN 0.667 nan 8.370 nan 0.000 0.524 1088 A N 3.780 126.534 122.820 -0.110 0.000 1.917 1088 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 1088 A C 1.804 179.422 177.584 0.057 0.000 1.182 1088 A CA 1.071 53.175 52.037 0.111 0.000 0.633 1088 A CB -0.763 18.401 19.000 0.273 0.000 0.819 1088 A HN 0.714 nan 8.150 nan 0.000 0.448 1089 F N 1.899 121.809 119.950 -0.066 0.000 2.075 1089 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 1089 F C 2.646 178.393 175.800 -0.087 0.000 1.113 1089 F CA 2.194 60.160 58.000 -0.056 0.000 1.218 1089 F CB -0.316 38.648 39.000 -0.061 0.000 0.984 1089 F HN 0.278 nan 8.300 nan 0.000 0.472 1090 S N -1.041 114.633 115.700 -0.045 0.000 2.603 1090 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 1090 S C 0.932 175.396 174.600 -0.226 0.000 0.967 1090 S CA 0.471 58.580 58.200 -0.150 0.000 0.920 1090 S CB -0.699 62.467 63.200 -0.057 0.000 0.773 1090 S HN 0.334 nan 8.310 nan 0.000 0.529 1091 S N 0.639 116.169 115.700 -0.283 0.000 3.559 1091 S HA -0.172 4.298 4.470 -0.000 0.000 0.369 1091 S C -0.224 174.189 174.600 -0.313 0.000 0.987 1091 S CA 0.664 58.717 58.200 -0.245 0.000 1.187 1091 S CB -1.210 61.966 63.200 -0.040 0.000 0.914 1091 S HN 0.803 nan 8.310 nan 0.000 0.480 1092 Q N 0.311 119.769 119.800 -0.570 0.000 2.333 1092 Q HA 0.726 5.066 4.340 -0.000 0.000 0.268 1092 Q C -0.886 174.854 176.000 -0.433 0.000 1.007 1092 Q CA -0.588 54.988 55.803 -0.377 0.000 0.810 1092 Q CB 1.271 29.851 28.738 -0.264 0.000 1.264 1092 Q HN 0.375 nan 8.270 nan 0.000 0.452 1093 L N 4.110 125.242 121.223 -0.152 0.000 2.280 1093 L HA 0.617 4.957 4.340 -0.000 0.000 0.287 1093 L C -1.521 175.342 176.870 -0.011 0.000 1.023 1093 L CA -0.191 54.642 54.840 -0.011 0.000 0.819 1093 L CB 0.752 42.821 42.059 0.017 0.000 1.212 1093 L HN 0.763 nan 8.230 nan 0.000 0.420 1094 c N 4.168 122.760 118.600 -0.012 0.000 2.561 1094 c HA 0.825 5.395 4.570 -0.000 0.000 0.319 1094 c C -0.811 173.324 174.090 0.075 0.000 1.198 1094 c CA -0.782 55.486 56.329 -0.103 0.000 1.665 1094 c CB 0.665 43.083 42.510 -0.153 0.000 2.258 1094 c HN 0.975 nan 8.230 nan 0.000 0.493 1095 W N 1.059 122.309 121.300 -0.084 0.000 3.029 1095 W HA 0.785 5.445 4.660 -0.000 0.000 0.339 1095 W C -1.077 175.356 176.519 -0.143 0.000 1.198 1095 W CA -1.201 56.088 57.345 -0.094 0.000 1.148 1095 W CB 0.260 29.668 29.460 -0.086 0.000 1.451 1095 W HN 0.626 nan 8.180 nan 0.000 0.564 1096 V N 0.312 120.278 119.914 0.087 0.000 2.495 1096 V HA 0.538 4.658 4.120 -0.000 0.000 0.298 1096 V C -1.224 174.850 176.094 -0.033 0.000 1.031 1096 V CA -0.546 61.681 62.300 -0.122 0.000 0.871 1096 V CB 1.636 33.295 31.823 -0.273 0.000 0.988 1096 V HN 0.706 nan 8.190 nan 0.000 0.432 1097 D N 3.434 123.777 120.400 -0.094 0.000 2.481 1097 D HA 0.610 5.250 4.640 -0.000 0.000 0.246 1097 D C 0.563 176.666 176.300 -0.330 0.000 1.109 1097 D CA -0.114 53.815 54.000 -0.118 0.000 0.845 1097 D CB 2.295 43.119 40.800 0.039 0.000 1.160 1097 D HN 0.827 nan 8.370 nan 0.000 0.534 1098 A N 2.593 125.119 122.820 -0.490 0.000 2.238 1098 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 1098 A C 1.537 178.642 177.584 -0.798 0.000 1.177 1098 A CA 0.888 52.447 52.037 -0.797 0.000 0.804 1098 A CB 0.173 18.356 19.000 -1.362 0.000 0.823 1098 A HN 0.573 nan 8.150 nan 0.000 0.482 1099 G N -0.673 107.802 108.800 -0.542 0.000 2.645 1099 G HA2 0.044 4.004 3.960 -0.000 0.000 0.207 1099 G HA3 0.044 4.004 3.960 -0.000 0.000 0.207 1099 G C 1.480 176.125 174.900 -0.425 0.000 1.145 1099 G CA 1.215 46.067 45.100 -0.412 0.000 0.831 1099 G HN 0.587 nan 8.290 nan 0.000 0.563 1100 T N -2.498 111.882 114.554 -0.290 0.000 3.107 1100 T HA 0.111 4.461 4.350 -0.000 0.000 0.249 1100 T C 0.913 175.557 174.700 -0.093 0.000 1.096 1100 T CA 0.461 62.483 62.100 -0.130 0.000 1.012 1100 T CB -0.330 68.516 68.868 -0.036 0.000 0.977 1100 T HN 0.435 nan 8.240 nan 0.000 0.527 1101 H N 2.144 121.158 119.070 -0.093 0.000 2.770 1101 H HA -0.127 4.428 4.556 -0.000 0.000 0.309 1101 H C 0.351 175.606 175.328 -0.122 0.000 1.206 1101 H CA 1.346 57.328 56.048 -0.109 0.000 1.147 1101 H CB -1.506 28.220 29.762 -0.059 0.000 1.422 1101 H HN 0.770 nan 8.280 nan 0.000 0.420 1102 R N -1.397 119.040 120.500 -0.105 0.000 2.766 1102 R HA 0.854 5.194 4.340 -0.000 0.000 0.270 1102 R C -1.336 174.817 176.300 -0.244 0.000 1.035 1102 R CA -0.554 55.457 56.100 -0.148 0.000 0.911 1102 R CB 1.519 31.754 30.300 -0.108 0.000 1.243 1102 R HN 0.094 nan 8.270 nan 0.000 0.460 1103 A N 0.905 123.548 122.820 -0.294 0.000 2.318 1103 A HA 0.561 4.881 4.320 -0.000 0.000 0.324 1103 A C -0.889 176.398 177.584 -0.495 0.000 1.170 1103 A CA -0.682 51.121 52.037 -0.391 0.000 0.810 1103 A CB 1.170 19.971 19.000 -0.331 0.000 1.198 1103 A HN 0.692 nan 8.150 nan 0.000 0.484 1104 E N 0.828 120.508 120.200 -0.867 0.000 2.266 1104 E HA 0.519 4.869 4.350 -0.000 0.000 0.268 1104 E C -1.405 174.565 176.600 -1.050 0.000 0.879 1104 E CA -0.569 55.225 56.400 -1.010 0.000 0.762 1104 E CB 2.108 31.029 29.700 -1.299 0.000 1.199 1104 E HN 0.666 nan 8.360 nan 0.000 0.422 1105 c N 2.779 121.004 118.600 -0.624 0.000 2.614 1105 c HA 0.821 5.391 4.570 -0.000 0.000 0.320 1105 c C -0.589 173.334 174.090 -0.277 0.000 1.200 1105 c CA -0.682 55.406 56.329 -0.401 0.000 1.700 1105 c CB 0.828 43.181 42.510 -0.261 0.000 2.275 1105 c HN 0.711 nan 8.230 nan 0.000 0.492 1106 L N 1.892 123.031 121.223 -0.141 0.000 2.622 1106 L HA 0.617 4.957 4.340 -0.000 0.000 0.258 1106 L C -1.731 175.132 176.870 -0.011 0.000 0.996 1106 L CA -0.266 54.549 54.840 -0.042 0.000 0.858 1106 L CB 1.851 43.947 42.059 0.062 0.000 1.449 1106 L HN 0.654 nan 8.230 nan 0.000 0.411 1107 N N 2.589 121.290 118.700 0.003 0.000 2.422 1107 N HA 0.401 5.141 4.740 -0.000 0.000 0.266 1107 N C -2.183 173.371 175.510 0.073 0.000 1.007 1107 N CA -1.943 51.123 53.050 0.026 0.000 0.941 1107 N CB 1.912 40.400 38.487 0.001 0.000 1.115 1107 N HN 0.442 nan 8.380 nan 0.000 0.492 1108 P HA -0.103 nan 4.420 nan 0.000 0.220 1108 P C 0.645 178.004 177.300 0.099 0.000 1.144 1108 P CA 1.115 64.302 63.100 0.145 0.000 0.800 1108 P CB 0.328 32.177 31.700 0.249 0.000 0.772 1109 A N -0.896 121.973 122.820 0.082 0.000 1.930 1109 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 1109 A C 1.277 178.880 177.584 0.032 0.000 1.176 1109 A CA 1.130 53.198 52.037 0.052 0.000 0.632 1109 A CB -0.536 18.491 19.000 0.044 0.000 0.819 1109 A HN 0.223 nan 8.150 nan 0.000 0.445 1110 Q N -0.702 119.115 119.800 0.028 0.000 2.849 1110 Q HA 0.227 4.567 4.340 -0.000 0.000 0.289 1110 Q C -2.184 173.829 176.000 0.023 0.000 1.012 1110 Q CA -1.843 53.970 55.803 0.016 0.000 0.899 1110 Q CB 1.146 29.887 28.738 0.005 0.000 1.235 1110 Q HN 0.284 nan 8.270 nan 0.000 0.457 1111 P HA -0.185 nan 4.420 nan 0.000 0.219 1111 P C 1.400 178.725 177.300 0.041 0.000 1.146 1111 P CA 1.237 64.362 63.100 0.043 0.000 0.808 1111 P CB 0.235 31.952 31.700 0.028 0.000 0.779 1112 G N -0.570 108.243 108.800 0.022 0.000 2.432 1112 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 1112 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 1112 G C 0.899 175.807 174.900 0.014 0.000 1.135 1112 G CA -0.033 45.077 45.100 0.017 0.000 0.767 1112 G HN 0.243 nan 8.290 nan 0.000 0.550 1113 R N 0.851 121.355 120.500 0.005 0.000 2.205 1113 R HA 0.349 4.689 4.340 -0.000 0.000 0.342 1113 R C -0.487 175.799 176.300 -0.024 0.000 1.058 1113 R CA -0.405 55.689 56.100 -0.011 0.000 0.904 1113 R CB 0.237 30.525 30.300 -0.019 0.000 1.089 1113 R HN 0.117 nan 8.270 nan 0.000 0.471 1114 R N 4.028 124.507 120.500 -0.036 0.000 2.343 1114 R HA 0.257 4.597 4.340 -0.000 0.000 0.320 1114 R C -0.540 175.688 176.300 -0.120 0.000 0.956 1114 R CA -0.794 55.255 56.100 -0.086 0.000 0.836 1114 R CB 2.177 32.436 30.300 -0.069 0.000 1.151 1114 R HN 0.335 nan 8.270 nan 0.000 0.450 1115 K N 2.094 122.398 120.400 -0.160 0.000 2.249 1115 K HA 0.264 4.584 4.320 -0.000 0.000 0.280 1115 K C -0.169 176.310 176.600 -0.203 0.000 1.033 1115 K CA -0.376 55.819 56.287 -0.154 0.000 0.946 1115 K CB 1.508 33.916 32.500 -0.154 0.000 1.005 1115 K HN 0.374 nan 8.250 nan 0.000 0.469 1116 V N 2.151 121.968 119.914 -0.162 0.000 2.709 1116 V HA 0.555 4.675 4.120 -0.000 0.000 0.308 1116 V C -1.426 174.583 176.094 -0.141 0.000 1.062 1116 V CA -1.132 61.061 62.300 -0.178 0.000 0.901 1116 V CB 1.621 33.358 31.823 -0.142 0.000 1.003 1116 V HN 0.590 nan 8.190 nan 0.000 0.425 1117 L N 4.545 125.672 121.223 -0.159 0.000 2.305 1117 L HA 0.695 5.035 4.340 -0.000 0.000 0.284 1117 L C 0.070 176.876 176.870 -0.106 0.000 1.013 1117 L CA 0.231 54.999 54.840 -0.120 0.000 0.819 1117 L CB 1.388 43.372 42.059 -0.126 0.000 1.227 1117 L HN 0.891 nan 8.230 nan 0.000 0.417 1118 E N 3.124 123.283 120.200 -0.067 0.000 2.267 1118 E HA 0.595 4.945 4.350 -0.000 0.000 0.258 1118 E C 0.447 177.033 176.600 -0.024 0.000 1.074 1118 E CA -0.222 56.152 56.400 -0.043 0.000 0.915 1118 E CB 1.131 30.814 29.700 -0.028 0.000 1.186 1118 E HN 0.885 nan 8.360 nan 0.000 0.439 1119 G N 0.354 109.152 108.800 -0.004 0.000 2.141 1119 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 1119 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 1119 G C -0.233 174.688 174.900 0.035 0.000 0.982 1119 G CA -0.215 44.891 45.100 0.009 0.000 0.662 1119 G HN 0.202 nan 8.290 nan 0.000 0.527 1120 L N 1.549 122.784 121.223 0.020 0.000 2.315 1120 L HA 0.345 4.685 4.340 -0.000 0.000 0.283 1120 L C 1.869 178.808 176.870 0.116 0.000 1.089 1120 L CA 0.114 54.967 54.840 0.022 0.000 0.833 1120 L CB 0.949 42.871 42.059 -0.227 0.000 1.170 1120 L HN 0.234 nan 8.230 nan 0.000 0.442 1121 Q N 2.917 122.816 119.800 0.165 0.000 1.942 1121 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 1121 Q C -0.042 176.158 176.000 0.334 0.000 0.987 1121 Q CA 1.834 57.761 55.803 0.205 0.000 0.844 1121 Q CB -0.001 28.846 28.738 0.182 0.000 0.911 1121 Q HN 0.633 nan 8.270 nan 0.000 0.423 1122 Y N 0.223 120.627 120.300 0.173 0.000 2.542 1122 Y HA 0.256 4.806 4.550 -0.000 0.000 0.316 1122 Y C -2.559 173.355 175.900 0.022 0.000 1.107 1122 Y CA -2.148 56.018 58.100 0.109 0.000 1.233 1122 Y CB 1.318 39.883 38.460 0.175 0.000 1.111 1122 Y HN 0.030 nan 8.280 nan 0.000 0.613 1123 P HA 0.101 nan 4.420 nan 0.000 0.271 1123 P C -0.065 177.112 177.300 -0.204 0.000 1.216 1123 P CA 0.334 63.387 63.100 -0.077 0.000 0.776 1123 P CB 0.840 32.335 31.700 -0.342 0.000 0.881 1124 F N 3.012 122.820 119.950 -0.236 0.000 2.532 1124 F HA 0.562 5.089 4.527 -0.000 0.000 0.278 1124 F C 0.190 175.943 175.800 -0.079 0.000 0.975 1124 F CA 0.403 58.191 58.000 -0.353 0.000 1.292 1124 F CB 0.171 38.879 39.000 -0.487 0.000 1.112 1124 F HN 0.336 nan 8.300 nan 0.000 0.703 1125 A N 0.360 123.228 122.820 0.081 0.000 2.527 1125 A HA 0.752 5.072 4.320 -0.000 0.000 0.293 1125 A C -1.776 175.916 177.584 0.180 0.000 1.117 1125 A CA -0.398 51.686 52.037 0.079 0.000 0.723 1125 A CB 1.538 20.723 19.000 0.309 0.000 1.313 1125 A HN 0.245 nan 8.150 nan 0.000 0.411 1126 V N -0.450 119.564 119.914 0.166 0.000 3.120 1126 V HA 0.860 4.980 4.120 -0.000 0.000 0.303 1126 V C -0.695 175.521 176.094 0.203 0.000 1.238 1126 V CA 0.478 62.899 62.300 0.202 0.000 1.008 1126 V CB 2.329 34.235 31.823 0.139 0.000 1.064 1126 V HN 1.539 nan 8.190 nan 0.000 0.434 1127 T N 2.475 117.170 114.554 0.234 0.000 2.843 1127 T HA 0.776 5.126 4.350 -0.000 0.000 0.302 1127 T C -1.008 173.852 174.700 0.266 0.000 1.232 1127 T CA 0.253 62.491 62.100 0.230 0.000 1.009 1127 T CB 1.795 70.793 68.868 0.215 0.000 1.254 1127 T HN 1.521 nan 8.240 nan 0.000 0.504 1128 S N 1.647 117.495 115.700 0.247 0.000 2.599 1128 S HA 0.759 5.229 4.470 -0.000 0.000 0.287 1128 S C -1.770 173.036 174.600 0.343 0.000 1.105 1128 S CA -0.723 57.633 58.200 0.259 0.000 0.899 1128 S CB 1.868 65.143 63.200 0.125 0.000 1.100 1128 S HN 0.743 nan 8.310 nan 0.000 0.482 1129 Y N 1.111 121.524 120.300 0.189 0.000 2.484 1129 Y HA 0.526 5.076 4.550 -0.000 0.000 0.348 1129 Y C 0.659 176.611 175.900 0.087 0.000 1.103 1129 Y CA 0.237 58.424 58.100 0.145 0.000 1.317 1129 Y CB 0.570 39.152 38.460 0.204 0.000 1.096 1129 Y HN 1.478 nan 8.280 nan 0.000 0.568 1130 G N 4.712 113.390 108.800 -0.204 0.000 2.557 1130 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.292 1130 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.292 1130 G C 1.005 175.838 174.900 -0.113 0.000 1.162 1130 G CA 0.613 45.574 45.100 -0.232 0.000 0.964 1130 G HN 0.718 nan 8.290 nan 0.000 0.541 1131 K N 0.854 121.186 120.400 -0.112 0.000 2.400 1131 K HA 0.233 4.553 4.320 -0.000 0.000 0.194 1131 K C 0.537 177.087 176.600 -0.084 0.000 1.033 1131 K CA 0.647 56.884 56.287 -0.083 0.000 1.021 1131 K CB 0.117 32.569 32.500 -0.079 0.000 0.808 1131 K HN 0.284 nan 8.250 nan 0.000 0.505 1132 N N 1.293 119.948 118.700 -0.076 0.000 2.473 1132 N HA 0.333 5.073 4.740 -0.000 0.000 0.291 1132 N C -1.187 174.211 175.510 -0.186 0.000 1.083 1132 N CA -0.443 52.508 53.050 -0.165 0.000 0.951 1132 N CB 1.155 39.513 38.487 -0.215 0.000 1.164 1132 N HN 0.059 nan 8.380 nan 0.000 0.480 1133 L N 2.220 123.274 121.223 -0.281 0.000 2.334 1133 L HA 0.471 4.811 4.340 -0.000 0.000 0.276 1133 L C -1.043 175.642 176.870 -0.309 0.000 1.014 1133 L CA -0.823 53.931 54.840 -0.143 0.000 0.815 1133 L CB 0.981 43.018 42.059 -0.035 0.000 1.268 1133 L HN 0.466 nan 8.230 nan 0.000 0.428 1134 Y N 2.435 122.807 120.300 0.120 0.000 2.326 1134 Y HA 0.427 4.976 4.550 -0.000 0.000 0.329 1134 Y C -0.432 175.557 175.900 0.147 0.000 0.973 1134 Y CA -0.835 57.313 58.100 0.079 0.000 1.162 1134 Y CB 1.338 39.828 38.460 0.051 0.000 1.147 1134 Y HN 0.398 nan 8.280 nan 0.000 0.456 1135 Y N -0.320 120.048 120.300 0.114 0.000 2.536 1135 Y HA 0.836 5.386 4.550 -0.000 0.000 0.347 1135 Y C -0.410 175.523 175.900 0.055 0.000 1.000 1135 Y CA -1.525 56.622 58.100 0.079 0.000 1.051 1135 Y CB 1.273 39.748 38.460 0.025 0.000 1.259 1135 Y HN 0.499 nan 8.280 nan 0.000 0.468 1136 T N 0.193 114.893 114.554 0.244 0.000 2.837 1136 T HA 0.349 4.699 4.350 -0.000 0.000 0.285 1136 T C -1.049 173.803 174.700 0.252 0.000 0.984 1136 T CA -0.664 61.513 62.100 0.128 0.000 1.049 1136 T CB 1.489 70.473 68.868 0.193 0.000 0.947 1136 T HN 0.804 nan 8.240 nan 0.000 0.472 1137 D N 1.735 122.226 120.400 0.151 0.000 2.505 1137 D HA 0.180 4.820 4.640 -0.000 0.000 0.249 1137 D C -0.286 176.203 176.300 0.314 0.000 1.082 1137 D CA -0.591 53.564 54.000 0.257 0.000 0.839 1137 D CB 1.225 42.151 40.800 0.211 0.000 1.317 1137 D HN 0.593 nan 8.370 nan 0.000 0.497 1138 W N 3.019 124.409 121.300 0.150 0.000 2.518 1138 W HA 0.013 4.673 4.660 -0.000 0.000 0.273 1138 W C 2.142 178.644 176.519 -0.029 0.000 1.247 1138 W CA 0.199 57.549 57.345 0.008 0.000 1.288 1138 W CB -0.281 29.169 29.460 -0.017 0.000 1.107 1138 W HN 0.457 nan 8.180 nan 0.000 0.586 1139 K N 0.589 121.160 120.400 0.285 0.000 2.044 1139 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 1139 K C 2.006 178.663 176.600 0.095 0.000 1.049 1139 K CA 2.407 58.791 56.287 0.162 0.000 0.945 1139 K CB -0.779 31.846 32.500 0.210 0.000 0.724 1139 K HN 0.023 nan 8.250 nan 0.000 0.440 1140 T N -1.795 112.813 114.554 0.089 0.000 3.081 1140 T HA 0.090 4.440 4.350 -0.000 0.000 0.255 1140 T C 0.168 174.842 174.700 -0.044 0.000 1.113 1140 T CA 0.045 62.162 62.100 0.028 0.000 1.082 1140 T CB -0.386 68.478 68.868 -0.006 0.000 0.939 1140 T HN 0.304 nan 8.240 nan 0.000 0.506 1141 N N 1.996 120.669 118.700 -0.045 0.000 2.714 1141 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 1141 N C -0.406 174.945 175.510 -0.264 0.000 1.024 1141 N CA 1.214 54.198 53.050 -0.111 0.000 0.726 1141 N CB -1.458 36.983 38.487 -0.077 0.000 0.908 1141 N HN 0.938 nan 8.380 nan 0.000 0.542 1142 S N -3.008 112.495 115.700 -0.328 0.000 2.625 1142 S HA 0.645 5.114 4.470 -0.000 0.000 0.271 1142 S C -0.549 173.807 174.600 -0.407 0.000 1.161 1142 S CA -0.836 57.059 58.200 -0.509 0.000 0.820 1142 S CB 2.716 65.406 63.200 -0.851 0.000 1.137 1142 S HN -0.066 nan 8.310 nan 0.000 0.470 1143 V N 2.001 121.684 119.914 -0.385 0.000 2.383 1143 V HA 0.472 4.592 4.120 -0.000 0.000 0.275 1143 V C -0.452 175.483 176.094 -0.266 0.000 1.036 1143 V CA -0.450 61.672 62.300 -0.297 0.000 0.889 1143 V CB 0.575 32.273 31.823 -0.209 0.000 0.985 1143 V HN 0.760 nan 8.190 nan 0.000 0.459 1144 I N 4.202 124.491 120.570 -0.469 0.000 2.378 1144 I HA 0.662 4.832 4.170 -0.000 0.000 0.291 1144 I C 0.378 176.285 176.117 -0.349 0.000 0.992 1144 I CA -0.543 60.458 61.300 -0.499 0.000 1.154 1144 I CB 1.806 39.284 38.000 -0.871 0.000 1.315 1144 I HN 0.633 nan 8.210 nan 0.000 0.448 1145 A N 8.390 131.096 122.820 -0.190 0.000 2.260 1145 A HA 0.821 5.141 4.320 -0.000 0.000 0.314 1145 A C -0.356 177.096 177.584 -0.219 0.000 1.257 1145 A CA -0.480 51.375 52.037 -0.304 0.000 0.871 1145 A CB 0.652 19.519 19.000 -0.221 0.000 1.166 1145 A HN 0.625 nan 8.150 nan 0.000 0.522 1146 M N 2.094 121.563 119.600 -0.218 0.000 2.464 1146 M HA 0.327 4.806 4.480 -0.000 0.000 0.308 1146 M C -1.274 174.942 176.300 -0.140 0.000 1.127 1146 M CA -0.692 54.547 55.300 -0.103 0.000 0.913 1146 M CB 1.958 34.568 32.600 0.017 0.000 1.689 1146 M HN 0.741 nan 8.290 nan 0.000 0.445 1147 D N 2.590 122.929 120.400 -0.100 0.000 2.232 1147 D HA 0.347 4.987 4.640 -0.000 0.000 0.242 1147 D C 0.953 177.203 176.300 -0.082 0.000 1.093 1147 D CA -0.266 53.678 54.000 -0.094 0.000 0.845 1147 D CB 1.206 41.963 40.800 -0.072 0.000 1.124 1147 D HN 0.559 nan 8.370 nan 0.000 0.467 1148 L N 3.202 124.372 121.223 -0.088 0.000 1.944 1148 L HA -0.229 4.111 4.340 -0.000 0.000 0.218 1148 L C 2.429 179.251 176.870 -0.080 0.000 1.075 1148 L CA 1.761 56.547 54.840 -0.091 0.000 0.767 1148 L CB -0.773 41.230 42.059 -0.095 0.000 0.890 1148 L HN 0.507 nan 8.230 nan 0.000 0.434 1149 A N 1.039 123.818 122.820 -0.068 0.000 1.842 1149 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 1149 A C 2.102 179.655 177.584 -0.052 0.000 1.206 1149 A CA 2.275 54.278 52.037 -0.057 0.000 0.630 1149 A CB -1.127 17.845 19.000 -0.048 0.000 0.839 1149 A HN 0.602 nan 8.150 nan 0.000 0.447 1150 I N -3.250 117.292 120.570 -0.047 0.000 3.083 1150 I HA -0.011 4.158 4.170 -0.000 0.000 0.273 1150 I C 0.534 176.626 176.117 -0.041 0.000 1.297 1150 I CA 1.021 62.297 61.300 -0.040 0.000 1.452 1150 I CB -0.711 37.268 38.000 -0.034 0.000 1.078 1150 I HN 0.185 nan 8.210 nan 0.000 0.484 1151 S N 1.246 116.916 115.700 -0.050 0.000 3.549 1151 S HA -0.224 4.246 4.470 -0.000 0.000 0.366 1151 S C 0.234 174.811 174.600 -0.037 0.000 1.012 1151 S CA 1.162 59.332 58.200 -0.050 0.000 1.141 1151 S CB -1.542 61.627 63.200 -0.052 0.000 0.910 1151 S HN 0.842 nan 8.310 nan 0.000 0.471 1152 K N 1.058 121.437 120.400 -0.035 0.000 2.221 1152 K HA 0.414 4.734 4.320 -0.000 0.000 0.243 1152 K C -0.282 176.303 176.600 -0.025 0.000 0.968 1152 K CA -0.813 55.459 56.287 -0.026 0.000 0.846 1152 K CB 1.191 33.676 32.500 -0.025 0.000 1.141 1152 K HN 0.274 nan 8.250 nan 0.000 0.434 1153 E N 4.417 124.609 120.200 -0.014 0.000 2.044 1153 E HA 0.044 4.394 4.350 -0.000 0.000 0.282 1153 E C 0.818 177.405 176.600 -0.023 0.000 1.031 1153 E CA -0.532 55.860 56.400 -0.013 0.000 0.824 1153 E CB 0.582 30.283 29.700 0.002 0.000 1.076 1153 E HN 0.553 nan 8.360 nan 0.000 0.395 1154 M N 2.201 121.777 119.600 -0.041 0.000 2.099 1154 M HA 0.048 4.528 4.480 -0.000 0.000 0.262 1154 M C 0.514 176.808 176.300 -0.011 0.000 1.067 1154 M CA 1.344 56.625 55.300 -0.032 0.000 1.124 1154 M CB -0.830 31.739 32.600 -0.053 0.000 1.353 1154 M HN 0.471 nan 8.290 nan 0.000 0.410 1155 D N -1.054 119.337 120.400 -0.014 0.000 2.710 1155 D HA 0.337 4.977 4.640 -0.000 0.000 0.276 1155 D C -1.418 174.885 176.300 0.005 0.000 1.267 1155 D CA -0.179 53.832 54.000 0.017 0.000 0.772 1155 D CB 1.540 42.368 40.800 0.047 0.000 1.299 1155 D HN 0.181 nan 8.370 nan 0.000 0.421 1156 T N -1.170 113.407 114.554 0.039 0.000 2.909 1156 T HA 0.677 5.027 4.350 -0.000 0.000 0.299 1156 T C -1.330 173.440 174.700 0.116 0.000 1.073 1156 T CA -0.768 61.334 62.100 0.004 0.000 0.999 1156 T CB 1.130 69.976 68.868 -0.036 0.000 1.098 1156 T HN 0.259 nan 8.240 nan 0.000 0.477 1157 F N 2.363 122.229 119.950 -0.139 0.000 2.507 1157 F HA 0.588 5.115 4.527 -0.000 0.000 0.328 1157 F C -1.147 174.541 175.800 -0.187 0.000 1.136 1157 F CA -1.069 56.880 58.000 -0.086 0.000 0.930 1157 F CB 1.276 40.235 39.000 -0.067 0.000 1.166 1157 F HN 0.790 nan 8.300 nan 0.000 0.436 1158 H N 6.514 125.135 119.070 -0.748 0.000 2.623 1158 H HA 0.361 4.917 4.556 -0.000 0.000 0.299 1158 H C -2.291 172.386 175.328 -1.084 0.000 1.052 1158 H CA -1.797 53.818 56.048 -0.720 0.000 1.231 1158 H CB 0.583 30.114 29.762 -0.385 0.000 1.389 1158 H HN 0.379 nan 8.280 nan 0.000 0.469 1159 P HA -0.030 nan 4.420 nan 0.000 0.271 1159 P C 0.687 177.811 177.300 -0.293 0.000 1.216 1159 P CA -0.111 62.638 63.100 -0.585 0.000 0.776 1159 P CB 1.377 33.019 31.700 -0.097 0.000 0.881 1160 H N 1.081 120.119 119.070 -0.052 0.000 2.353 1160 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 1160 H C 0.848 176.170 175.328 -0.011 0.000 1.103 1160 H CA 1.541 57.579 56.048 -0.017 0.000 1.293 1160 H CB -0.080 29.695 29.762 0.022 0.000 1.372 1160 H HN 0.378 nan 8.280 nan 0.000 0.501 1161 K N 2.337 122.808 120.400 0.117 0.000 2.220 1161 K HA 0.026 4.346 4.320 -0.000 0.000 0.283 1161 K C -0.011 176.603 176.600 0.023 0.000 1.098 1161 K CA 0.007 56.336 56.287 0.070 0.000 0.928 1161 K CB 0.180 32.729 32.500 0.082 0.000 1.214 1161 K HN 0.166 nan 8.250 nan 0.000 0.442 1162 Q N 2.671 122.471 119.800 -0.000 0.000 2.800 1162 Q HA -0.010 4.330 4.340 -0.000 0.000 0.261 1162 Q C 0.025 175.993 176.000 -0.054 0.000 1.093 1162 Q CA -0.015 55.768 55.803 -0.033 0.000 0.943 1162 Q CB -0.408 28.315 28.738 -0.025 0.000 1.591 1162 Q HN 0.673 nan 8.270 nan 0.000 0.429 1163 T N -3.046 111.477 114.554 -0.051 0.000 2.881 1163 T HA 0.385 4.735 4.350 -0.000 0.000 0.278 1163 T C 0.208 174.808 174.700 -0.168 0.000 0.982 1163 T CA -1.111 60.938 62.100 -0.086 0.000 0.989 1163 T CB 1.281 70.124 68.868 -0.041 0.000 1.058 1163 T HN 0.162 nan 8.240 nan 0.000 0.529 1164 R N 0.799 121.129 120.500 -0.282 0.000 2.480 1164 R HA 0.224 4.564 4.340 -0.000 0.000 0.303 1164 R C -0.383 175.506 176.300 -0.686 0.000 0.985 1164 R CA -0.007 55.755 56.100 -0.565 0.000 1.051 1164 R CB -0.958 28.872 30.300 -0.783 0.000 0.935 1164 R HN 0.604 nan 8.270 nan 0.000 0.410 1165 L N 5.735 126.667 121.223 -0.486 0.000 2.350 1165 L HA 0.269 4.609 4.340 -0.000 0.000 0.275 1165 L C -0.048 176.563 176.870 -0.432 0.000 1.099 1165 L CA -0.330 54.337 54.840 -0.289 0.000 0.808 1165 L CB 0.601 42.588 42.059 -0.121 0.000 1.149 1165 L HN 0.661 nan 8.230 nan 0.000 0.442 1166 Y N 1.040 121.459 120.300 0.198 0.000 2.915 1166 Y HA 0.435 4.985 4.550 -0.000 0.000 0.244 1166 Y C 1.260 177.446 175.900 0.476 0.000 1.600 1166 Y CA -0.258 57.921 58.100 0.132 0.000 1.161 1166 Y CB -0.671 37.804 38.460 0.026 0.000 1.151 1166 Y HN 0.506 nan 8.280 nan 0.000 0.603 1167 G N 0.892 110.118 108.800 0.711 0.000 2.630 1167 G HA2 0.339 4.299 3.960 -0.000 0.000 0.236 1167 G HA3 0.339 4.299 3.960 -0.000 0.000 0.236 1167 G C -1.048 174.123 174.900 0.451 0.000 1.248 1167 G CA 0.029 45.475 45.100 0.576 0.000 0.844 1167 G HN 0.443 nan 8.290 nan 0.000 0.588 1168 I N -0.408 120.384 120.570 0.369 0.000 2.692 1168 I HA 0.620 4.790 4.170 -0.000 0.000 0.293 1168 I C -0.602 175.659 176.117 0.239 0.000 1.200 1168 I CA -0.465 61.020 61.300 0.309 0.000 1.036 1168 I CB 2.468 40.640 38.000 0.285 0.000 1.258 1168 I HN 0.737 nan 8.210 nan 0.000 0.421 1169 T N 6.722 121.380 114.554 0.174 0.000 2.821 1169 T HA 0.603 4.953 4.350 -0.000 0.000 0.306 1169 T C -1.515 173.182 174.700 -0.004 0.000 1.313 1169 T CA -0.456 61.720 62.100 0.127 0.000 1.012 1169 T CB 1.410 70.386 68.868 0.179 0.000 1.298 1169 T HN 0.379 nan 8.240 nan 0.000 0.502 1170 I N 2.631 123.178 120.570 -0.039 0.000 2.378 1170 I HA 0.555 4.725 4.170 -0.000 0.000 0.291 1170 I C 0.361 176.265 176.117 -0.356 0.000 0.992 1170 I CA -1.104 60.075 61.300 -0.201 0.000 1.154 1170 I CB 1.671 39.568 38.000 -0.171 0.000 1.315 1170 I HN 0.774 nan 8.210 nan 0.000 0.448 1171 A N 8.319 130.752 122.820 -0.644 0.000 2.527 1171 A HA 0.524 4.844 4.320 -0.000 0.000 0.313 1171 A C -0.179 177.048 177.584 -0.595 0.000 1.410 1171 A CA -0.326 50.927 52.037 -1.307 0.000 1.060 1171 A CB -0.219 17.988 19.000 -1.323 0.000 1.137 1171 A HN 0.677 nan 8.150 nan 0.000 0.542 1172 L N 2.256 123.345 121.223 -0.224 0.000 2.417 1172 L HA 0.155 4.495 4.340 -0.000 0.000 0.268 1172 L C 1.761 178.715 176.870 0.140 0.000 1.158 1172 L CA -0.077 54.774 54.840 0.018 0.000 0.819 1172 L CB 1.407 43.547 42.059 0.135 0.000 1.112 1172 L HN 0.878 nan 8.230 nan 0.000 0.458 1173 S N 0.830 116.587 115.700 0.095 0.000 2.481 1173 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 1173 S C 0.310 174.997 174.600 0.144 0.000 0.996 1173 S CA 0.143 58.421 58.200 0.130 0.000 0.942 1173 S CB -0.168 63.082 63.200 0.083 0.000 0.768 1173 S HN 0.749 nan 8.310 nan 0.000 0.520 1174 Q N -1.602 118.278 119.800 0.134 0.000 2.633 1174 Q HA 0.548 4.888 4.340 -0.000 0.000 0.289 1174 Q C -1.101 174.956 176.000 0.094 0.000 0.940 1174 Q CA -1.119 54.750 55.803 0.110 0.000 0.785 1174 Q CB 0.402 29.193 28.738 0.088 0.000 1.467 1174 Q HN 0.123 nan 8.270 nan 0.000 0.401 1175 c N 0.000 118.636 118.600 0.061 0.000 2.653 1175 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 1175 c CA 0.000 56.333 56.329 0.006 0.000 1.963 1175 c CB 0.000 42.503 42.510 -0.012 0.000 2.134 1175 c HN 0.000 nan 8.230 nan 0.000 0.568