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 3kq4_1_F DATA FIRST_RESID 932 DATA SEQUENCE cGEILTESTG TIQSPGHPNV YPHGINcTWH ILVQPNHLIH LMFETFHLEF DATA SEQUENCE HYNcTNDYLE VYDTDSETSL GRYcGKSIPP SLTSSGNSLM LVFVTDSDLA DATA SEQUENCE YEGFLINYEA ISAATAcLQD YTDDLGTFTS PNFPNNYPNN WEcIYRITVR DATA SEQUENCE TGQLIAVHFT NFSLEEAIGN YYTDFLEIRD GGYEKSPLLG IFYGSNLPPT DATA SEQUENCE IISHSNKLWL KFKSDQIDTR SGFSAYWDGS STGcGGNLTT SSGTFISPNY DATA SEQUENCE PMPYYHSSEc YWWLKSSHGS AFELEFKDFH LEHHPNcTLD YLAVYDGPSS DATA SEQUENCE NSHLLTQLcG DEKPPLIRSS GDSMFIKLRT DEGQQGRGFK AEYRQTcENV DATA SEQUENCE VIVNQTYGIL ESIGYPNPYS ENQHcNWTIR ATTGNTVNYT FLAFDLEHHI DATA SEQUENCE NcSTDYLELY DGPRQMGRYc GVDLPPPGST TSSKLQVLLL TDGVGRREKG DATA SEQUENCE FQMQWFV 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 932 c HA 0.000 nan 4.570 nan 0.000 0.325 932 c C 0.000 173.934 174.090 -0.260 0.000 1.270 932 c CA 0.000 56.244 56.329 -0.142 0.000 1.963 932 c CB 0.000 42.444 42.510 -0.109 0.000 2.134 933 G N 1.330 109.866 108.800 -0.441 0.000 2.697 933 G HA2 0.491 4.451 3.960 -0.000 0.000 0.686 933 G HA3 0.491 4.451 3.960 -0.000 0.000 0.686 933 G C -1.217 173.441 174.900 -0.403 0.000 1.179 933 G CA 0.303 44.979 45.100 -0.707 0.000 0.765 933 G HN 2.020 nan 8.290 nan 0.000 0.649 934 E N -0.328 119.634 120.200 -0.397 0.000 2.413 934 E HA 0.708 5.058 4.350 -0.000 0.000 0.277 934 E C -0.391 176.269 176.600 0.101 0.000 0.958 934 E CA -1.210 55.161 56.400 -0.048 0.000 0.779 934 E CB 2.348 32.099 29.700 0.085 0.000 1.278 934 E HN 1.625 nan 8.360 nan 0.000 0.456 935 I N -0.279 120.354 120.570 0.106 0.000 2.441 935 I HA 0.546 4.716 4.170 -0.000 0.000 0.295 935 I C -1.587 174.604 176.117 0.123 0.000 0.994 935 I CA -1.050 60.335 61.300 0.141 0.000 1.144 935 I CB 1.196 39.255 38.000 0.098 0.000 1.314 935 I HN 0.502 nan 8.210 nan 0.000 0.445 936 L N 5.855 127.150 121.223 0.120 0.000 2.322 936 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 936 L C 0.716 177.641 176.870 0.092 0.000 1.014 936 L CA -0.193 54.712 54.840 0.109 0.000 0.815 936 L CB 2.124 44.242 42.059 0.098 0.000 1.247 936 L HN 0.850 nan 8.230 nan 0.000 0.421 937 T N -1.231 113.383 114.554 0.101 0.000 3.038 937 T HA 0.062 4.412 4.350 -0.000 0.000 0.244 937 T C 0.647 175.410 174.700 0.105 0.000 1.016 937 T CA -0.282 61.868 62.100 0.082 0.000 1.098 937 T CB 0.074 68.976 68.868 0.056 0.000 0.954 937 T HN 0.472 nan 8.240 nan 0.000 0.469 938 E N 1.639 121.914 120.200 0.125 0.000 2.492 938 E HA 0.005 4.354 4.350 -0.000 0.000 0.266 938 E C 0.676 177.352 176.600 0.127 0.000 1.047 938 E CA 0.080 56.540 56.400 0.100 0.000 0.968 938 E CB 0.460 30.210 29.700 0.083 0.000 0.960 938 E HN 0.240 nan 8.360 nan 0.000 0.452 939 S N 1.090 116.810 115.700 0.033 0.000 2.436 939 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 939 S C 0.269 174.782 174.600 -0.144 0.000 1.014 939 S CA 0.744 58.951 58.200 0.011 0.000 0.950 939 S CB 0.284 63.473 63.200 -0.018 0.000 0.784 939 S HN 0.538 nan 8.310 nan 0.000 0.504 940 T N 0.425 114.821 114.554 -0.264 0.000 2.906 940 T HA 0.745 5.095 4.350 -0.000 0.000 0.295 940 T C -0.025 174.339 174.700 -0.562 0.000 1.061 940 T CA -0.471 61.293 62.100 -0.560 0.000 1.000 940 T CB 2.111 70.797 68.868 -0.303 0.000 1.103 940 T HN 0.384 nan 8.240 nan 0.000 0.486 941 G N 0.542 108.870 108.800 -0.785 0.000 2.430 941 G HA2 0.603 4.563 3.960 -0.000 0.000 0.300 941 G HA3 0.603 4.563 3.960 -0.000 0.000 0.300 941 G C -1.356 173.472 174.900 -0.121 0.000 1.330 941 G CA -0.705 44.260 45.100 -0.226 0.000 0.813 941 G HN 0.834 nan 8.290 nan 0.000 0.487 942 T N -0.658 113.918 114.554 0.038 0.000 2.888 942 T HA 0.766 5.116 4.350 -0.000 0.000 0.288 942 T C -0.660 174.054 174.700 0.024 0.000 1.063 942 T CA -0.594 61.511 62.100 0.009 0.000 1.010 942 T CB 2.069 70.923 68.868 -0.024 0.000 1.214 942 T HN 0.525 nan 8.240 nan 0.000 0.533 943 I N 1.791 122.315 120.570 -0.076 0.000 2.497 943 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 943 I C -0.836 175.234 176.117 -0.078 0.000 1.060 943 I CA -0.775 60.421 61.300 -0.173 0.000 1.071 943 I CB 1.923 39.639 38.000 -0.475 0.000 1.216 943 I HN 0.366 nan 8.210 nan 0.000 0.442 944 Q N 3.965 123.798 119.800 0.054 0.000 2.303 944 Q HA 0.234 4.574 4.340 -0.000 0.000 0.257 944 Q C 0.164 176.244 176.000 0.133 0.000 0.941 944 Q CA -0.187 55.672 55.803 0.093 0.000 0.931 944 Q CB 2.052 30.878 28.738 0.147 0.000 1.215 944 Q HN 0.718 nan 8.270 nan 0.000 0.437 945 S N 3.811 119.417 115.700 -0.156 0.000 2.546 945 S HA 0.054 4.524 4.470 -0.000 0.000 0.290 945 S C -1.562 173.092 174.600 0.090 0.000 1.290 945 S CA -0.777 57.223 58.200 -0.334 0.000 1.069 945 S CB 0.609 63.302 63.200 -0.846 0.000 0.846 945 S HN 0.317 nan 8.310 nan 0.000 0.495 946 P HA -0.077 nan 4.420 nan 0.000 0.214 946 P C 1.705 179.103 177.300 0.162 0.000 1.169 946 P CA 1.914 65.138 63.100 0.207 0.000 0.908 946 P CB -0.452 31.370 31.700 0.204 0.000 0.791 947 G N -1.759 107.142 108.800 0.169 0.000 2.422 947 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 947 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 947 G C 0.448 175.419 174.900 0.118 0.000 1.146 947 G CA 0.406 45.582 45.100 0.127 0.000 0.769 947 G HN 0.338 nan 8.290 nan 0.000 0.547 948 H N 1.433 120.526 119.070 0.040 0.000 3.163 948 H HA 0.060 4.616 4.556 -0.000 0.000 0.321 948 H C -1.285 174.067 175.328 0.040 0.000 1.006 948 H CA -0.391 55.675 56.048 0.030 0.000 1.344 948 H CB 1.059 30.825 29.762 0.005 0.000 1.272 948 H HN -0.007 nan 8.280 nan 0.000 0.594 949 P HA -0.011 nan 4.420 nan 0.000 0.239 949 P C -1.012 176.013 177.300 -0.459 0.000 1.184 949 P CA 0.953 63.593 63.100 -0.766 0.000 0.760 949 P CB 0.075 31.554 31.700 -0.369 0.000 0.884 950 N N -2.282 116.316 118.700 -0.171 0.000 5.360 950 N HA 0.110 4.850 4.740 -0.000 0.000 0.154 950 N C -1.130 174.357 175.510 -0.039 0.000 1.009 950 N CA -0.566 52.439 53.050 -0.076 0.000 1.167 950 N CB 0.194 38.630 38.487 -0.086 0.000 1.517 950 N HN -0.171 nan 8.380 nan 0.000 0.911 951 V N -0.440 119.450 119.914 -0.040 0.000 3.166 951 V HA 0.829 4.949 4.120 -0.000 0.000 0.317 951 V C -0.067 176.025 176.094 -0.003 0.000 1.136 951 V CA -1.038 61.249 62.300 -0.022 0.000 1.035 951 V CB 1.145 32.881 31.823 -0.145 0.000 1.110 951 V HN 0.648 nan 8.190 nan 0.000 0.450 952 Y N -0.380 119.882 120.300 -0.063 0.000 2.304 952 Y HA 0.814 5.364 4.550 -0.000 0.000 0.327 952 Y C -2.548 173.258 175.900 -0.157 0.000 1.209 952 Y CA -2.800 55.273 58.100 -0.045 0.000 1.299 952 Y CB -0.269 38.222 38.460 0.053 0.000 1.249 952 Y HN 0.422 nan 8.280 nan 0.000 0.519 953 P HA 0.067 nan 4.420 nan 0.000 0.271 953 P C -0.877 176.327 177.300 -0.160 0.000 1.218 953 P CA 0.037 63.072 63.100 -0.107 0.000 0.780 953 P CB 0.391 32.111 31.700 0.033 0.000 0.901 954 H N 0.836 119.818 119.070 -0.147 0.000 2.562 954 H HA 0.348 4.904 4.556 -0.000 0.000 0.352 954 H C 1.217 176.489 175.328 -0.092 0.000 1.125 954 H CA -0.273 55.700 56.048 -0.126 0.000 1.379 954 H CB 0.390 30.069 29.762 -0.139 0.000 1.464 954 H HN 0.801 nan 8.280 nan 0.000 0.563 955 G N 2.308 111.120 108.800 0.020 0.000 2.171 955 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.238 955 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.238 955 G C 0.050 174.902 174.900 -0.080 0.000 1.039 955 G CA -0.286 44.794 45.100 -0.034 0.000 0.759 955 G HN 0.429 nan 8.290 nan 0.000 0.501 956 I N -0.409 120.074 120.570 -0.146 0.000 2.886 956 I HA 0.388 4.558 4.170 -0.000 0.000 0.299 956 I C 0.920 176.922 176.117 -0.192 0.000 1.044 956 I CA -0.611 60.582 61.300 -0.179 0.000 1.310 956 I CB 1.358 39.200 38.000 -0.264 0.000 1.441 956 I HN 0.103 nan 8.210 nan 0.000 0.578 957 N N 0.986 119.601 118.700 -0.142 0.000 2.301 957 N HA 0.077 4.817 4.740 -0.000 0.000 0.247 957 N C -0.627 174.836 175.510 -0.078 0.000 1.347 957 N CA -0.225 52.765 53.050 -0.100 0.000 0.844 957 N CB 0.273 38.719 38.487 -0.069 0.000 1.332 957 N HN 0.571 nan 8.380 nan 0.000 0.494 958 c N 0.342 118.885 118.600 -0.096 0.000 2.676 958 c HA 0.564 5.134 4.570 -0.000 0.000 0.416 958 c C 0.439 174.468 174.090 -0.101 0.000 1.299 958 c CA 0.768 57.008 56.329 -0.148 0.000 2.048 958 c CB -0.333 42.082 42.510 -0.159 0.000 2.713 958 c HN 0.400 nan 8.230 nan 0.000 0.624 959 T N 4.905 119.303 114.554 -0.260 0.000 2.993 959 T HA 0.448 4.798 4.350 -0.000 0.000 0.312 959 T C -1.180 173.414 174.700 -0.175 0.000 1.115 959 T CA -0.270 61.795 62.100 -0.059 0.000 1.027 959 T CB 0.695 69.611 68.868 0.079 0.000 1.116 959 T HN 0.752 nan 8.240 nan 0.000 0.464 960 W N 1.919 123.292 121.300 0.122 0.000 2.647 960 W HA 0.516 5.176 4.660 -0.000 0.000 0.353 960 W C -0.033 176.507 176.519 0.035 0.000 1.080 960 W CA -0.557 56.842 57.345 0.090 0.000 1.208 960 W CB 1.322 30.806 29.460 0.040 0.000 1.396 960 W HN 0.504 nan 8.180 nan 0.000 0.573 961 H N 2.493 121.701 119.070 0.230 0.000 3.018 961 H HA 0.233 4.789 4.556 -0.000 0.000 0.334 961 H C -1.303 174.054 175.328 0.048 0.000 0.983 961 H CA -0.669 55.446 56.048 0.111 0.000 1.363 961 H CB 2.682 32.488 29.762 0.073 0.000 1.668 961 H HN 0.181 nan 8.280 nan 0.000 0.513 962 I N 5.481 126.064 120.570 0.021 0.000 2.355 962 I HA 0.248 4.418 4.170 -0.000 0.000 0.288 962 I C -1.549 174.547 176.117 -0.035 0.000 0.999 962 I CA -0.672 60.569 61.300 -0.098 0.000 1.163 962 I CB 0.796 38.552 38.000 -0.408 0.000 1.316 962 I HN 0.370 nan 8.210 nan 0.000 0.454 963 L N 9.198 130.426 121.223 0.010 0.000 2.381 963 L HA 0.839 5.179 4.340 -0.000 0.000 0.274 963 L C -1.470 175.426 176.870 0.043 0.000 0.988 963 L CA -0.501 54.362 54.840 0.038 0.000 0.824 963 L CB 1.624 43.718 42.059 0.058 0.000 1.263 963 L HN 0.476 nan 8.230 nan 0.000 0.410 964 V N 4.907 124.847 119.914 0.044 0.000 3.130 964 V HA 0.540 4.660 4.120 -0.000 0.000 0.310 964 V C -0.582 175.513 176.094 0.003 0.000 1.158 964 V CA -0.402 61.925 62.300 0.044 0.000 1.029 964 V CB 2.198 34.078 31.823 0.095 0.000 1.057 964 V HN 1.105 nan 8.190 nan 0.000 0.436 965 Q N 4.074 123.831 119.800 -0.071 0.000 2.523 965 Q HA 0.251 4.591 4.340 -0.000 0.000 0.283 965 Q C -2.343 173.616 176.000 -0.069 0.000 1.140 965 Q CA -0.552 55.176 55.803 -0.126 0.000 0.981 965 Q CB -0.152 28.419 28.738 -0.278 0.000 1.310 965 Q HN 0.594 nan 8.270 nan 0.000 0.483 966 P HA -0.007 nan 4.420 nan 0.000 0.279 966 P C -0.847 176.554 177.300 0.167 0.000 1.282 966 P CA 0.002 63.138 63.100 0.060 0.000 0.788 966 P CB 0.282 32.007 31.700 0.042 0.000 1.139 967 N N -3.017 115.771 118.700 0.147 0.000 2.681 967 N HA -0.268 4.472 4.740 -0.000 0.000 0.250 967 N C -0.768 174.866 175.510 0.206 0.000 1.133 967 N CA 1.201 54.346 53.050 0.158 0.000 0.732 967 N CB -2.196 36.384 38.487 0.154 0.000 1.107 967 N HN 0.570 nan 8.380 nan 0.000 0.559 968 H N -1.200 117.875 119.070 0.008 0.000 2.941 968 H HA 0.830 5.385 4.556 -0.000 0.000 0.344 968 H C -0.521 174.811 175.328 0.006 0.000 1.235 968 H CA -0.505 55.547 56.048 0.006 0.000 1.149 968 H CB 1.020 30.791 29.762 0.014 0.000 1.885 968 H HN 0.045 nan 8.280 nan 0.000 0.558 969 L N 0.828 122.124 121.223 0.121 0.000 2.350 969 L HA 0.501 4.841 4.340 -0.000 0.000 0.260 969 L C -0.841 176.085 176.870 0.093 0.000 1.015 969 L CA -0.472 54.406 54.840 0.063 0.000 0.821 969 L CB 1.721 43.779 42.059 -0.001 0.000 1.370 969 L HN 0.483 nan 8.230 nan 0.000 0.416 970 I N 1.085 121.697 120.570 0.071 0.000 2.336 970 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 970 I C -0.237 175.946 176.117 0.109 0.000 0.991 970 I CA -0.303 61.053 61.300 0.092 0.000 1.227 970 I CB 1.005 39.015 38.000 0.017 0.000 1.366 970 I HN 0.463 nan 8.210 nan 0.000 0.466 971 H N 7.305 126.382 119.070 0.012 0.000 2.541 971 H HA 0.500 5.056 4.556 -0.000 0.000 0.316 971 H C -1.341 173.947 175.328 -0.068 0.000 1.043 971 H CA -0.873 55.152 56.048 -0.038 0.000 1.232 971 H CB 1.117 30.853 29.762 -0.043 0.000 1.406 971 H HN 0.515 nan 8.280 nan 0.000 0.469 972 L N 6.636 127.646 121.223 -0.355 0.000 2.257 972 L HA 0.219 4.559 4.340 -0.000 0.000 0.290 972 L C 0.411 176.821 176.870 -0.768 0.000 1.044 972 L CA -0.667 53.827 54.840 -0.577 0.000 0.810 972 L CB 1.134 42.827 42.059 -0.611 0.000 1.193 972 L HN 0.537 nan 8.230 nan 0.000 0.425 973 M N 2.168 121.319 119.600 -0.749 0.000 2.116 973 M HA 0.416 4.896 4.480 -0.000 0.000 0.235 973 M C -0.569 175.324 176.300 -0.679 0.000 1.193 973 M CA -0.174 54.800 55.300 -0.545 0.000 0.959 973 M CB 0.327 32.705 32.600 -0.371 0.000 1.313 973 M HN 0.310 nan 8.290 nan 0.000 0.530 974 F N 0.152 119.939 119.950 -0.273 0.000 2.806 974 F HA 0.199 4.726 4.527 -0.000 0.000 0.394 974 F C 0.929 176.611 175.800 -0.196 0.000 1.352 974 F CA -0.535 57.290 58.000 -0.292 0.000 1.122 974 F CB 0.165 38.928 39.000 -0.395 0.000 2.253 974 F HN 0.550 nan 8.300 nan 0.000 0.553 975 E N -0.097 120.107 120.200 0.006 0.000 2.055 975 E HA -0.153 4.197 4.350 -0.000 0.000 0.209 975 E C 0.416 177.052 176.600 0.061 0.000 1.036 975 E CA 1.690 58.100 56.400 0.018 0.000 0.849 975 E CB -0.179 29.528 29.700 0.011 0.000 0.767 975 E HN 0.364 nan 8.360 nan 0.000 0.461 976 T N -0.867 113.755 114.554 0.114 0.000 2.916 976 T HA 0.562 4.912 4.350 -0.000 0.000 0.292 976 T C -0.840 174.034 174.700 0.290 0.000 1.055 976 T CA -0.642 61.561 62.100 0.173 0.000 1.009 976 T CB 1.910 70.919 68.868 0.235 0.000 1.118 976 T HN 0.144 nan 8.240 nan 0.000 0.497 977 F N 1.717 121.688 119.950 0.035 0.000 3.692 977 F HA 0.290 4.816 4.527 -0.000 0.000 0.410 977 F C -1.174 174.610 175.800 -0.026 0.000 1.124 977 F CA -0.466 57.536 58.000 0.004 0.000 1.474 977 F CB 0.437 39.313 39.000 -0.207 0.000 2.346 977 F HN 0.759 nan 8.300 nan 0.000 0.789 978 H N 4.655 123.565 119.070 -0.267 0.000 2.472 978 H HA 0.901 5.457 4.556 -0.000 0.000 0.338 978 H C -1.052 174.023 175.328 -0.422 0.000 1.133 978 H CA -0.363 55.485 56.048 -0.333 0.000 1.216 978 H CB 1.482 31.163 29.762 -0.135 0.000 1.497 978 H HN 0.535 nan 8.280 nan 0.000 0.500 979 L N 2.193 123.297 121.223 -0.197 0.000 2.540 979 L HA 0.216 4.556 4.340 -0.000 0.000 0.256 979 L C -0.615 176.392 176.870 0.228 0.000 1.001 979 L CA -1.002 53.877 54.840 0.064 0.000 0.843 979 L CB 2.392 44.368 42.059 -0.139 0.000 1.436 979 L HN 0.720 nan 8.230 nan 0.000 0.410 980 E N 1.603 122.154 120.200 0.585 0.000 2.384 980 E HA 0.137 4.487 4.350 -0.000 0.000 0.266 980 E C -1.284 175.558 176.600 0.403 0.000 1.012 980 E CA -0.328 56.409 56.400 0.561 0.000 0.901 980 E CB 1.096 31.116 29.700 0.532 0.000 0.967 980 E HN 0.356 nan 8.360 nan 0.000 0.435 981 F N 4.236 124.315 119.950 0.215 0.000 2.378 981 F HA 0.443 4.970 4.527 -0.000 0.000 0.325 981 F C -0.792 175.177 175.800 0.282 0.000 1.097 981 F CA -0.505 57.604 58.000 0.182 0.000 1.079 981 F CB 1.222 40.258 39.000 0.060 0.000 1.240 981 F HN 0.594 nan 8.300 nan 0.000 0.519 982 H N 4.523 123.203 119.070 -0.651 0.000 3.159 982 H HA 0.026 4.582 4.556 -0.000 0.000 0.313 982 H C -0.651 174.512 175.328 -0.275 0.000 1.071 982 H CA -0.534 55.219 56.048 -0.491 0.000 1.451 982 H CB 0.814 30.521 29.762 -0.092 0.000 2.075 982 H HN 0.892 nan 8.280 nan 0.000 0.443 983 Y N 5.240 125.344 120.300 -0.327 0.000 2.070 983 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 983 Y C 2.132 178.074 175.900 0.070 0.000 1.148 983 Y CA 2.655 60.746 58.100 -0.014 0.000 1.125 983 Y CB -0.050 38.398 38.460 -0.019 0.000 0.975 983 Y HN 0.707 nan 8.280 nan 0.000 0.492 984 N N -0.280 118.502 118.700 0.138 0.000 2.520 984 N HA -0.181 4.559 4.740 -0.000 0.000 0.185 984 N C 0.078 175.584 175.510 -0.007 0.000 1.068 984 N CA 0.987 54.054 53.050 0.029 0.000 0.911 984 N CB -0.215 38.362 38.487 0.150 0.000 0.961 984 N HN 0.489 nan 8.380 nan 0.000 0.446 985 c N 0.246 118.905 118.600 0.098 0.000 4.533 985 c HA -0.120 4.450 4.570 -0.000 0.000 0.304 985 c C 1.397 175.471 174.090 -0.026 0.000 1.316 985 c CA 0.541 56.900 56.329 0.050 0.000 2.053 985 c CB -2.598 39.876 42.510 -0.061 0.000 1.242 985 c HN 0.599 nan 8.230 nan 0.000 0.758 986 T N -1.088 113.333 114.554 -0.222 0.000 3.045 986 T HA -0.012 4.338 4.350 -0.000 0.000 0.239 986 T C 1.619 176.233 174.700 -0.144 0.000 1.008 986 T CA 1.060 63.038 62.100 -0.204 0.000 1.143 986 T CB -0.048 68.655 68.868 -0.276 0.000 0.894 986 T HN 0.545 nan 8.240 nan 0.000 0.451 987 N N 1.728 120.110 118.700 -0.530 0.000 2.038 987 N HA -0.001 4.739 4.740 -0.000 0.000 0.192 987 N C 0.351 175.859 175.510 -0.003 0.000 1.080 987 N CA 1.198 54.147 53.050 -0.168 0.000 0.867 987 N CB -0.497 37.992 38.487 0.003 0.000 1.055 987 N HN 0.343 nan 8.380 nan 0.000 0.430 988 D N -1.241 119.224 120.400 0.109 0.000 2.277 988 D HA 0.447 5.087 4.640 -0.000 0.000 0.250 988 D C -0.824 175.628 176.300 0.253 0.000 1.032 988 D CA -0.058 54.020 54.000 0.129 0.000 0.947 988 D CB 0.893 41.860 40.800 0.279 0.000 1.159 988 D HN 0.298 nan 8.370 nan 0.000 0.460 989 Y N -0.372 120.081 120.300 0.255 0.000 2.927 989 Y HA 0.390 4.940 4.550 -0.000 0.000 0.392 989 Y C -2.594 173.570 175.900 0.441 0.000 1.159 989 Y CA -1.324 56.950 58.100 0.290 0.000 1.220 989 Y CB 0.455 39.019 38.460 0.172 0.000 1.506 989 Y HN 0.386 nan 8.280 nan 0.000 0.481 990 L N 2.772 124.481 121.223 0.812 0.000 2.438 990 L HA 0.631 4.971 4.340 -0.000 0.000 0.270 990 L C -1.268 175.926 176.870 0.540 0.000 0.972 990 L CA -0.474 54.766 54.840 0.667 0.000 0.831 990 L CB 1.877 44.216 42.059 0.466 0.000 1.273 990 L HN 0.960 nan 8.230 nan 0.000 0.405 991 E N 3.732 124.211 120.200 0.465 0.000 2.299 991 E HA 0.614 4.964 4.350 -0.000 0.000 0.265 991 E C -1.793 174.961 176.600 0.258 0.000 0.911 991 E CA -0.875 55.708 56.400 0.304 0.000 0.789 991 E CB 2.920 32.726 29.700 0.177 0.000 1.246 991 E HN 0.278 nan 8.360 nan 0.000 0.427 992 V N 3.207 123.252 119.914 0.218 0.000 2.462 992 V HA 0.331 4.450 4.120 -0.000 0.000 0.288 992 V C -1.833 174.352 176.094 0.153 0.000 1.020 992 V CA -0.575 61.818 62.300 0.156 0.000 0.857 992 V CB 0.736 32.618 31.823 0.098 0.000 1.013 992 V HN 0.772 nan 8.190 nan 0.000 0.431 993 Y N 4.440 124.756 120.300 0.026 0.000 2.309 993 Y HA 0.479 5.029 4.550 -0.000 0.000 0.327 993 Y C 0.534 176.434 175.900 -0.000 0.000 1.172 993 Y CA -0.095 58.015 58.100 0.016 0.000 1.280 993 Y CB 1.436 39.907 38.460 0.018 0.000 1.234 993 Y HN 0.805 nan 8.280 nan 0.000 0.512 994 D N 3.675 123.817 120.400 -0.429 0.000 2.435 994 D HA 0.083 4.723 4.640 -0.000 0.000 0.230 994 D C 0.899 177.089 176.300 -0.183 0.000 1.215 994 D CA 0.407 54.249 54.000 -0.264 0.000 0.947 994 D CB 0.653 41.292 40.800 -0.268 0.000 1.048 994 D HN 0.768 nan 8.370 nan 0.000 0.512 995 T N 1.958 116.555 114.554 0.071 0.000 2.624 995 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 995 T C 1.274 176.056 174.700 0.137 0.000 1.041 995 T CA 1.392 63.622 62.100 0.217 0.000 1.159 995 T CB -0.164 68.813 68.868 0.183 0.000 0.863 995 T HN 0.425 nan 8.240 nan 0.000 0.434 996 D N 1.004 121.441 120.400 0.060 0.000 2.384 996 D HA -0.005 4.635 4.640 -0.000 0.000 0.222 996 D C 0.183 176.500 176.300 0.027 0.000 0.976 996 D CA 0.312 54.340 54.000 0.047 0.000 0.915 996 D CB 0.094 40.911 40.800 0.028 0.000 0.896 996 D HN 0.365 nan 8.370 nan 0.000 0.523 997 S N -0.388 115.306 115.700 -0.009 0.000 2.661 997 S HA 0.364 4.834 4.470 -0.000 0.000 0.285 997 S C -0.468 174.095 174.600 -0.061 0.000 1.138 997 S CA -1.069 57.107 58.200 -0.040 0.000 0.855 997 S CB 2.366 65.515 63.200 -0.086 0.000 1.136 997 S HN -0.082 nan 8.310 nan 0.000 0.484 998 E N 1.299 121.486 120.200 -0.021 0.000 2.391 998 E HA 0.531 4.881 4.350 -0.000 0.000 0.255 998 E C 0.284 176.791 176.600 -0.155 0.000 1.187 998 E CA 0.144 56.555 56.400 0.019 0.000 0.941 998 E CB -0.042 29.689 29.700 0.052 0.000 1.010 998 E HN 0.740 nan 8.360 nan 0.000 0.458 999 T N -0.275 114.231 114.554 -0.081 0.000 0.541 999 T HA -0.124 4.226 4.350 -0.000 0.000 0.774 999 T C -0.231 174.183 174.700 -0.476 0.000 0.992 999 T CA 0.722 62.741 62.100 -0.136 0.000 4.077 999 T CB -0.807 68.003 68.868 -0.096 0.000 2.303 999 T HN 0.678 nan 8.240 nan 0.000 0.398 1000 S N -1.163 114.399 115.700 -0.230 0.000 2.541 1000 S HA 0.621 5.091 4.470 -0.000 0.000 0.271 1000 S C 0.805 175.361 174.600 -0.073 0.000 1.133 1000 S CA -0.735 57.345 58.200 -0.199 0.000 0.876 1000 S CB 1.288 64.564 63.200 0.127 0.000 1.105 1000 S HN 0.721 nan 8.310 nan 0.000 0.470 1001 L N 2.735 123.939 121.223 -0.033 0.000 2.275 1001 L HA 0.364 4.704 4.340 -0.000 0.000 0.215 1001 L C 1.479 178.394 176.870 0.076 0.000 1.119 1001 L CA 0.863 55.723 54.840 0.034 0.000 0.790 1001 L CB -0.935 41.165 42.059 0.069 0.000 0.919 1001 L HN 0.995 nan 8.230 nan 0.000 0.443 1002 G N -0.318 108.506 108.800 0.039 0.000 2.339 1002 G HA2 0.056 4.016 3.960 -0.000 0.000 0.381 1002 G HA3 0.056 4.016 3.960 -0.000 0.000 0.381 1002 G C -1.561 173.185 174.900 -0.256 0.000 1.400 1002 G CA -0.925 44.069 45.100 -0.177 0.000 1.002 1002 G HN -0.006 nan 8.290 nan 0.000 0.633 1003 R N -0.525 119.672 120.500 -0.505 0.000 2.532 1003 R HA 0.727 5.067 4.340 -0.000 0.000 0.295 1003 R C -1.383 174.586 176.300 -0.552 0.000 0.968 1003 R CA -0.816 55.073 56.100 -0.351 0.000 0.916 1003 R CB 1.055 31.134 30.300 -0.369 0.000 1.124 1003 R HN 0.548 nan 8.270 nan 0.000 0.463 1004 Y N 3.259 123.606 120.300 0.077 0.000 2.322 1004 Y HA 0.281 4.831 4.550 -0.000 0.000 0.324 1004 Y C -0.129 175.958 175.900 0.312 0.000 1.027 1004 Y CA -0.763 57.402 58.100 0.109 0.000 1.179 1004 Y CB 1.317 39.738 38.460 -0.066 0.000 1.136 1004 Y HN 0.654 nan 8.280 nan 0.000 0.449 1005 c N 0.007 118.827 118.600 0.367 0.000 2.531 1005 c HA 1.028 5.598 4.570 -0.000 0.000 0.369 1005 c C 1.111 175.381 174.090 0.300 0.000 1.258 1005 c CA -0.111 56.431 56.329 0.355 0.000 1.876 1005 c CB 0.947 43.661 42.510 0.341 0.000 2.256 1005 c HN 1.272 nan 8.230 nan 0.000 0.510 1006 G N 1.245 110.164 108.800 0.198 0.000 2.498 1006 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.251 1006 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.251 1006 G C 0.281 175.102 174.900 -0.132 0.000 1.170 1006 G CA 0.406 45.528 45.100 0.037 0.000 0.944 1006 G HN 0.841 nan 8.290 nan 0.000 0.567 1007 K N 0.669 120.954 120.400 -0.192 0.000 2.367 1007 K HA 0.248 4.568 4.320 -0.000 0.000 0.195 1007 K C 1.358 177.912 176.600 -0.077 0.000 1.060 1007 K CA 0.950 57.127 56.287 -0.184 0.000 1.022 1007 K CB 0.550 32.862 32.500 -0.314 0.000 0.894 1007 K HN 0.785 nan 8.250 nan 0.000 0.540 1008 S N 1.515 117.150 115.700 -0.109 0.000 2.528 1008 S HA 0.507 4.977 4.470 -0.000 0.000 0.277 1008 S C -0.043 174.403 174.600 -0.258 0.000 1.297 1008 S CA -0.667 57.400 58.200 -0.221 0.000 1.052 1008 S CB 0.737 63.821 63.200 -0.193 0.000 0.917 1008 S HN 0.244 nan 8.310 nan 0.000 0.492 1009 I N 1.878 122.123 120.570 -0.542 0.000 2.776 1009 I HA 0.237 4.407 4.170 -0.000 0.000 0.281 1009 I C -3.016 172.583 176.117 -0.864 0.000 1.620 1009 I CA -0.973 59.770 61.300 -0.929 0.000 1.172 1009 I CB 1.160 38.132 38.000 -1.712 0.000 1.593 1009 I HN 0.441 nan 8.210 nan 0.000 0.418 1010 P HA 0.132 nan 4.420 nan 0.000 0.260 1010 P C -2.119 175.001 177.300 -0.300 0.000 1.172 1010 P CA -0.598 62.232 63.100 -0.449 0.000 0.760 1010 P CB 0.092 31.762 31.700 -0.049 0.000 0.773 1011 P HA -0.130 nan 4.420 nan 0.000 0.218 1011 P C -0.078 177.245 177.300 0.038 0.000 1.146 1011 P CA 1.597 64.628 63.100 -0.114 0.000 0.820 1011 P CB 0.293 31.908 31.700 -0.142 0.000 0.778 1012 S N -1.145 114.590 115.700 0.058 0.000 2.536 1012 S HA 0.604 5.074 4.470 -0.000 0.000 0.287 1012 S C -0.713 173.954 174.600 0.111 0.000 1.101 1012 S CA -0.617 57.648 58.200 0.108 0.000 0.950 1012 S CB 1.179 64.537 63.200 0.262 0.000 1.056 1012 S HN -0.151 nan 8.310 nan 0.000 0.481 1013 L N 1.597 122.866 121.223 0.078 0.000 2.376 1013 L HA 0.732 5.072 4.340 -0.000 0.000 0.258 1013 L C -0.880 176.050 176.870 0.099 0.000 1.013 1013 L CA -0.576 54.304 54.840 0.066 0.000 0.822 1013 L CB 2.731 44.801 42.059 0.018 0.000 1.388 1013 L HN 0.590 nan 8.230 nan 0.000 0.413 1014 T N -0.042 114.550 114.554 0.063 0.000 3.032 1014 T HA 0.289 4.639 4.350 -0.000 0.000 0.312 1014 T C -0.439 174.265 174.700 0.007 0.000 1.078 1014 T CA -0.671 61.460 62.100 0.053 0.000 1.028 1014 T CB 1.801 70.690 68.868 0.034 0.000 1.091 1014 T HN 0.678 nan 8.240 nan 0.000 0.457 1015 S N 1.424 117.123 115.700 -0.001 0.000 2.614 1015 S HA 0.329 4.799 4.470 -0.000 0.000 0.265 1015 S C 1.695 176.281 174.600 -0.023 0.000 1.303 1015 S CA -0.070 58.119 58.200 -0.019 0.000 1.000 1015 S CB 1.057 64.246 63.200 -0.018 0.000 0.935 1015 S HN 0.834 nan 8.310 nan 0.000 0.551 1016 S N 1.092 116.773 115.700 -0.033 0.000 2.406 1016 S HA 0.246 4.716 4.470 -0.000 0.000 0.224 1016 S C 1.011 175.602 174.600 -0.014 0.000 1.030 1016 S CA 0.292 58.474 58.200 -0.030 0.000 0.958 1016 S CB -0.955 62.221 63.200 -0.041 0.000 0.811 1016 S HN 1.073 nan 8.310 nan 0.000 0.489 1017 G N 1.656 110.452 108.800 -0.007 0.000 2.857 1017 G HA2 0.411 4.371 3.960 -0.000 0.000 0.217 1017 G HA3 0.411 4.371 3.960 -0.000 0.000 0.217 1017 G C 0.009 174.926 174.900 0.029 0.000 1.357 1017 G CA -0.148 44.960 45.100 0.013 0.000 1.033 1017 G HN 0.444 nan 8.290 nan 0.000 0.571 1018 N N -0.823 117.902 118.700 0.042 0.000 2.238 1018 N HA 0.121 4.861 4.740 -0.000 0.000 0.222 1018 N C -0.169 175.365 175.510 0.040 0.000 1.133 1018 N CA 0.077 53.159 53.050 0.053 0.000 0.854 1018 N CB 0.573 39.099 38.487 0.065 0.000 1.041 1018 N HN 0.396 nan 8.380 nan 0.000 0.510 1019 S N -0.262 115.458 115.700 0.033 0.000 2.541 1019 S HA 0.729 5.199 4.470 -0.000 0.000 0.271 1019 S C -0.956 173.656 174.600 0.020 0.000 1.133 1019 S CA -0.873 57.352 58.200 0.042 0.000 0.876 1019 S CB 2.165 65.413 63.200 0.081 0.000 1.105 1019 S HN 0.115 nan 8.310 nan 0.000 0.470 1020 L N 2.270 123.490 121.223 -0.005 0.000 2.493 1020 L HA 0.472 4.812 4.340 -0.000 0.000 0.265 1020 L C -0.801 175.993 176.870 -0.126 0.000 0.954 1020 L CA -0.657 54.155 54.840 -0.048 0.000 0.844 1020 L CB 2.296 44.297 42.059 -0.096 0.000 1.302 1020 L HN 0.619 nan 8.230 nan 0.000 0.405 1021 M N 4.007 123.552 119.600 -0.092 0.000 2.235 1021 M HA 0.400 4.880 4.480 -0.000 0.000 0.351 1021 M C -0.762 175.495 176.300 -0.073 0.000 1.178 1021 M CA -0.146 55.018 55.300 -0.226 0.000 1.143 1021 M CB 1.231 33.825 32.600 -0.011 0.000 1.530 1021 M HN 0.458 nan 8.290 nan 0.000 0.461 1022 L N 4.200 125.402 121.223 -0.035 0.000 2.489 1022 L HA 0.312 4.652 4.340 -0.000 0.000 0.257 1022 L C -1.004 176.069 176.870 0.339 0.000 1.215 1022 L CA -0.423 54.496 54.840 0.132 0.000 0.915 1022 L CB 1.667 43.772 42.059 0.077 0.000 1.146 1022 L HN 0.385 nan 8.230 nan 0.000 0.494 1023 V N 3.439 123.540 119.914 0.311 0.000 2.407 1023 V HA 0.465 4.584 4.120 -0.000 0.000 0.278 1023 V C -0.945 175.459 176.094 0.516 0.000 1.037 1023 V CA -0.238 62.288 62.300 0.377 0.000 0.900 1023 V CB 1.630 33.608 31.823 0.260 0.000 0.983 1023 V HN 0.389 nan 8.190 nan 0.000 0.459 1024 F N 6.670 126.838 119.950 0.364 0.000 2.444 1024 F HA 0.769 5.296 4.527 -0.000 0.000 0.342 1024 F C -0.571 175.282 175.800 0.089 0.000 1.121 1024 F CA -1.012 57.173 58.000 0.308 0.000 0.997 1024 F CB 1.714 41.039 39.000 0.541 0.000 1.130 1024 F HN 0.341 nan 8.300 nan 0.000 0.454 1025 V N 5.870 125.614 119.914 -0.283 0.000 2.711 1025 V HA 0.559 4.679 4.120 -0.000 0.000 0.304 1025 V C -0.434 175.255 176.094 -0.675 0.000 1.097 1025 V CA 0.086 62.071 62.300 -0.526 0.000 0.906 1025 V CB 2.288 33.873 31.823 -0.397 0.000 1.015 1025 V HN 1.076 nan 8.190 nan 0.000 0.427 1026 T N 1.882 116.135 114.554 -0.501 0.000 2.644 1026 T HA 0.817 5.167 4.350 -0.000 0.000 0.253 1026 T C -0.954 173.655 174.700 -0.151 0.000 0.910 1026 T CA -0.074 61.848 62.100 -0.296 0.000 1.066 1026 T CB 2.139 70.889 68.868 -0.196 0.000 1.484 1026 T HN 0.785 nan 8.240 nan 0.000 0.560 1027 D N -1.504 118.867 120.400 -0.047 0.000 2.677 1027 D HA 0.329 4.968 4.640 -0.000 0.000 0.298 1027 D C 1.244 177.572 176.300 0.047 0.000 1.250 1027 D CA 0.102 54.096 54.000 -0.010 0.000 0.888 1027 D CB 0.985 41.784 40.800 -0.002 0.000 1.397 1027 D HN 0.614 nan 8.370 nan 0.000 0.461 1028 S N -0.285 115.438 115.700 0.038 0.000 2.338 1028 S HA -0.098 4.372 4.470 -0.000 0.000 0.218 1028 S C 0.484 175.129 174.600 0.074 0.000 1.032 1028 S CA 1.165 59.383 58.200 0.030 0.000 0.999 1028 S CB -0.939 62.243 63.200 -0.030 0.000 0.905 1028 S HN 0.679 nan 8.310 nan 0.000 0.439 1029 D N 2.926 123.364 120.400 0.063 0.000 2.308 1029 D HA 0.483 5.123 4.640 -0.000 0.000 0.251 1029 D C 0.026 176.387 176.300 0.102 0.000 1.127 1029 D CA -0.383 53.660 54.000 0.071 0.000 0.876 1029 D CB 0.581 41.403 40.800 0.036 0.000 1.176 1029 D HN 0.530 nan 8.370 nan 0.000 0.446 1030 L N -0.606 120.659 121.223 0.071 0.000 0.994 1030 L HA 0.081 4.421 4.340 -0.000 0.000 0.407 1030 L C -0.764 175.850 176.870 -0.426 0.000 1.003 1030 L CA -0.158 54.597 54.840 -0.141 0.000 1.203 1030 L CB -1.562 40.493 42.059 -0.005 0.000 0.989 1030 L HN 0.877 nan 8.230 nan 0.000 0.553 1031 A N 2.240 124.529 122.820 -0.884 0.000 2.588 1031 A HA 1.009 5.329 4.320 -0.000 0.000 0.290 1031 A C -1.655 175.114 177.584 -1.358 0.000 1.136 1031 A CA -0.551 50.730 52.037 -1.261 0.000 0.681 1031 A CB 1.672 19.745 19.000 -1.544 0.000 1.282 1031 A HN 0.726 nan 8.150 nan 0.000 0.421 1032 Y N -1.323 118.817 120.300 -0.267 0.000 2.853 1032 Y HA 0.372 4.922 4.550 -0.000 0.000 0.326 1032 Y C 1.321 177.288 175.900 0.112 0.000 1.384 1032 Y CA -0.268 57.800 58.100 -0.052 0.000 1.077 1032 Y CB 0.674 39.084 38.460 -0.084 0.000 1.395 1032 Y HN 0.712 nan 8.280 nan 0.000 0.451 1033 E N 1.126 121.465 120.200 0.232 0.000 2.455 1033 E HA 0.093 4.442 4.350 -0.000 0.000 0.202 1033 E C 0.991 177.766 176.600 0.293 0.000 1.045 1033 E CA 1.404 57.905 56.400 0.168 0.000 0.872 1033 E CB -0.479 29.287 29.700 0.109 0.000 0.792 1033 E HN 0.944 nan 8.360 nan 0.000 0.542 1034 G N 1.328 110.320 108.800 0.320 0.000 2.520 1034 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.248 1034 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.248 1034 G C -0.307 174.553 174.900 -0.065 0.000 1.161 1034 G CA 0.246 45.342 45.100 -0.007 0.000 0.946 1034 G HN 0.642 nan 8.290 nan 0.000 0.565 1035 F N -1.884 118.036 119.950 -0.049 0.000 2.639 1035 F HA 0.783 5.310 4.527 -0.000 0.000 0.320 1035 F C -1.075 174.442 175.800 -0.472 0.000 1.128 1035 F CA -1.683 56.229 58.000 -0.148 0.000 1.037 1035 F CB 0.624 39.633 39.000 0.014 0.000 1.288 1035 F HN 0.951 nan 8.300 nan 0.000 0.463 1036 L N 5.168 126.292 121.223 -0.164 0.000 2.379 1036 L HA 0.848 5.188 4.340 -0.000 0.000 0.269 1036 L C -0.743 176.095 176.870 -0.054 0.000 1.084 1036 L CA -0.994 53.730 54.840 -0.194 0.000 0.802 1036 L CB 1.535 43.488 42.059 -0.177 0.000 1.175 1036 L HN 0.876 nan 8.230 nan 0.000 0.448 1037 I N 2.804 123.277 120.570 -0.161 0.000 2.686 1037 I HA 0.348 4.518 4.170 -0.000 0.000 0.280 1037 I C -1.500 174.407 176.117 -0.350 0.000 1.322 1037 I CA -0.271 60.818 61.300 -0.351 0.000 1.107 1037 I CB 1.080 38.730 38.000 -0.584 0.000 1.366 1037 I HN 0.714 nan 8.210 nan 0.000 0.443 1038 N N 5.278 123.776 118.700 -0.337 0.000 2.434 1038 N HA 0.730 5.470 4.740 -0.000 0.000 0.266 1038 N C -1.468 173.885 175.510 -0.262 0.000 1.223 1038 N CA 0.092 52.989 53.050 -0.255 0.000 0.972 1038 N CB 0.971 39.319 38.487 -0.232 0.000 1.207 1038 N HN 0.591 nan 8.380 nan 0.000 0.525 1039 Y N -2.050 118.064 120.300 -0.311 0.000 2.656 1039 Y HA 0.538 5.088 4.550 -0.000 0.000 0.334 1039 Y C -1.821 173.975 175.900 -0.173 0.000 1.179 1039 Y CA -1.081 56.841 58.100 -0.297 0.000 1.050 1039 Y CB 1.065 39.361 38.460 -0.273 0.000 1.308 1039 Y HN 0.644 nan 8.280 nan 0.000 0.456 1040 E N 1.964 122.074 120.200 -0.151 0.000 2.401 1040 E HA 0.737 5.087 4.350 -0.000 0.000 0.280 1040 E C -1.703 174.943 176.600 0.076 0.000 1.039 1040 E CA -1.269 55.029 56.400 -0.170 0.000 0.814 1040 E CB 1.896 31.528 29.700 -0.113 0.000 1.275 1040 E HN 1.101 nan 8.360 nan 0.000 0.448 1041 A N 1.870 124.731 122.820 0.068 0.000 2.351 1041 A HA 0.679 4.999 4.320 -0.000 0.000 0.257 1041 A C -0.297 177.367 177.584 0.133 0.000 1.087 1041 A CA -0.374 51.753 52.037 0.150 0.000 0.798 1041 A CB 0.289 19.381 19.000 0.154 0.000 1.033 1041 A HN 0.558 nan 8.150 nan 0.000 0.488 1042 I N 0.698 121.354 120.570 0.144 0.000 2.627 1042 I HA 0.133 4.303 4.170 -0.000 0.000 0.288 1042 I C 0.148 176.126 176.117 -0.231 0.000 1.202 1042 I CA -0.217 61.072 61.300 -0.019 0.000 1.050 1042 I CB 2.144 40.118 38.000 -0.042 0.000 1.264 1042 I HN 0.688 nan 8.210 nan 0.000 0.429 1043 S N 3.870 119.311 115.700 -0.432 0.000 2.562 1043 S HA 0.310 4.780 4.470 -0.000 0.000 0.281 1043 S C 1.111 175.478 174.600 -0.389 0.000 1.333 1043 S CA 0.423 58.175 58.200 -0.748 0.000 1.052 1043 S CB 1.382 64.302 63.200 -0.466 0.000 0.884 1043 S HN 0.715 nan 8.310 nan 0.000 0.506 1044 A N 4.450 127.077 122.820 -0.322 0.000 2.123 1044 A HA 0.375 4.695 4.320 -0.000 0.000 0.214 1044 A C 2.124 179.646 177.584 -0.103 0.000 1.152 1044 A CA 1.020 52.961 52.037 -0.160 0.000 0.728 1044 A CB -0.917 18.028 19.000 -0.091 0.000 0.814 1044 A HN 1.035 nan 8.150 nan 0.000 0.464 1045 A N -0.119 122.646 122.820 -0.092 0.000 1.825 1045 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 1045 A C 2.072 179.657 177.584 0.002 0.000 1.206 1045 A CA 2.071 54.106 52.037 -0.004 0.000 0.609 1045 A CB -1.510 17.507 19.000 0.028 0.000 0.851 1045 A HN 0.386 nan 8.150 nan 0.000 0.445 1046 T N 0.650 115.144 114.554 -0.100 0.000 3.093 1046 T HA 0.191 4.541 4.350 -0.000 0.000 0.270 1046 T C 0.706 175.095 174.700 -0.518 0.000 1.170 1046 T CA 0.799 62.677 62.100 -0.370 0.000 1.072 1046 T CB -0.676 67.990 68.868 -0.338 0.000 0.863 1046 T HN 0.613 nan 8.240 nan 0.000 0.562 1047 A N 1.305 123.956 122.820 -0.282 0.000 2.444 1047 A HA 0.508 4.828 4.320 -0.000 0.000 0.332 1047 A C 0.425 177.895 177.584 -0.190 0.000 1.430 1047 A CA -0.874 51.007 52.037 -0.261 0.000 0.975 1047 A CB -0.299 18.586 19.000 -0.192 0.000 1.147 1047 A HN 0.598 nan 8.150 nan 0.000 0.524 1048 c N 4.824 123.279 118.600 -0.241 0.000 2.273 1048 c HA 0.851 5.421 4.570 -0.000 0.000 0.328 1048 c C -0.722 173.241 174.090 -0.213 0.000 1.275 1048 c CA -0.589 55.654 56.329 -0.142 0.000 1.704 1048 c CB -1.327 41.181 42.510 -0.004 0.000 2.326 1048 c HN 0.726 nan 8.230 nan 0.000 0.517 1049 L N 6.918 128.025 121.223 -0.194 0.000 2.588 1049 L HA 0.503 4.842 4.340 -0.000 0.000 0.263 1049 L C -1.024 175.725 176.870 -0.201 0.000 0.935 1049 L CA -0.323 54.389 54.840 -0.214 0.000 0.891 1049 L CB 1.828 43.790 42.059 -0.161 0.000 1.318 1049 L HN 0.825 nan 8.230 nan 0.000 0.409 1050 Q N 0.895 120.550 119.800 -0.241 0.000 2.289 1050 Q HA 0.560 4.900 4.340 -0.000 0.000 0.270 1050 Q C -1.959 173.849 176.000 -0.320 0.000 1.038 1050 Q CA -0.986 54.650 55.803 -0.278 0.000 0.812 1050 Q CB 3.025 31.595 28.738 -0.281 0.000 1.300 1050 Q HN 0.373 nan 8.270 nan 0.000 0.427 1051 D N 1.900 122.086 120.400 -0.356 0.000 2.175 1051 D HA 0.480 5.120 4.640 -0.000 0.000 0.248 1051 D C -1.254 174.792 176.300 -0.423 0.000 1.047 1051 D CA 0.128 53.967 54.000 -0.269 0.000 0.883 1051 D CB 0.824 41.538 40.800 -0.144 0.000 1.180 1051 D HN 0.356 nan 8.370 nan 0.000 0.438 1052 Y N -0.661 119.609 120.300 -0.050 0.000 2.499 1052 Y HA 0.416 4.966 4.550 -0.000 0.000 0.347 1052 Y C 1.216 177.140 175.900 0.039 0.000 0.987 1052 Y CA -0.590 57.521 58.100 0.018 0.000 1.044 1052 Y CB 2.513 40.956 38.460 -0.029 0.000 1.245 1052 Y HN 0.434 nan 8.280 nan 0.000 0.461 1053 T N -4.703 110.068 114.554 0.361 0.000 3.154 1053 T HA 0.023 4.373 4.350 -0.000 0.000 0.258 1053 T C 0.462 175.389 174.700 0.379 0.000 0.899 1053 T CA 0.000 62.280 62.100 0.299 0.000 0.908 1053 T CB -0.118 68.841 68.868 0.151 0.000 1.260 1053 T HN 0.414 nan 8.240 nan 0.000 0.521 1054 D N 2.890 123.493 120.400 0.339 0.000 2.420 1054 D HA 0.053 4.693 4.640 -0.000 0.000 0.233 1054 D C -0.009 176.284 176.300 -0.010 0.000 1.017 1054 D CA 0.829 54.913 54.000 0.140 0.000 0.951 1054 D CB -0.584 40.271 40.800 0.091 0.000 0.877 1054 D HN 0.462 nan 8.370 nan 0.000 0.528 1055 D N -0.826 119.568 120.400 -0.010 0.000 2.945 1055 D HA -0.197 4.443 4.640 -0.000 0.000 0.225 1055 D C -0.449 175.380 176.300 -0.785 0.000 1.158 1055 D CA 0.509 54.333 54.000 -0.292 0.000 0.805 1055 D CB -1.500 39.252 40.800 -0.080 0.000 1.098 1055 D HN 0.353 nan 8.370 nan 0.000 0.426 1056 L N -0.487 119.966 121.223 -1.283 0.000 2.439 1056 L HA 0.563 4.903 4.340 -0.000 0.000 0.270 1056 L C 1.073 177.218 176.870 -1.208 0.000 0.972 1056 L CA -0.922 53.349 54.840 -0.949 0.000 0.836 1056 L CB 2.241 44.068 42.059 -0.387 0.000 1.255 1056 L HN 0.006 nan 8.230 nan 0.000 0.404 1057 G N 0.228 108.440 108.800 -0.979 0.000 2.985 1057 G HA2 0.237 4.197 3.960 -0.000 0.000 0.282 1057 G HA3 0.237 4.197 3.960 -0.000 0.000 0.282 1057 G C 0.826 175.766 174.900 0.067 0.000 0.791 1057 G CA -0.014 44.908 45.100 -0.297 0.000 1.934 1057 G HN 0.711 nan 8.290 nan 0.000 0.563 1058 T N -0.686 113.934 114.554 0.109 0.000 3.278 1058 T HA 0.270 4.620 4.350 -0.000 0.000 0.251 1058 T C 0.334 175.093 174.700 0.098 0.000 1.039 1058 T CA -0.670 61.481 62.100 0.084 0.000 0.935 1058 T CB -0.636 68.308 68.868 0.127 0.000 1.034 1058 T HN 0.383 nan 8.240 nan 0.000 0.575 1059 F N 0.630 120.509 119.950 -0.117 0.000 2.421 1059 F HA 0.786 5.313 4.527 -0.000 0.000 0.337 1059 F C -0.615 175.055 175.800 -0.216 0.000 1.105 1059 F CA -0.625 57.254 58.000 -0.202 0.000 1.049 1059 F CB 1.929 40.650 39.000 -0.464 0.000 1.139 1059 F HN -0.102 nan 8.300 nan 0.000 0.479 1060 T N 2.517 116.845 114.554 -0.377 0.000 3.012 1060 T HA 0.315 4.664 4.350 -0.000 0.000 0.330 1060 T C -0.940 173.338 174.700 -0.704 0.000 1.321 1060 T CA -0.636 61.036 62.100 -0.713 0.000 1.067 1060 T CB 1.395 69.975 68.868 -0.480 0.000 1.235 1060 T HN 0.988 nan 8.240 nan 0.000 0.479 1061 S N 3.651 118.449 115.700 -1.505 0.000 2.566 1061 S HA 0.306 4.776 4.470 -0.000 0.000 0.280 1061 S C -2.559 171.744 174.600 -0.493 0.000 1.343 1061 S CA -0.728 56.716 58.200 -1.259 0.000 1.036 1061 S CB -0.176 62.084 63.200 -1.567 0.000 0.866 1061 S HN 0.370 nan 8.310 nan 0.000 0.526 1062 P HA 0.105 nan 4.420 nan 0.000 0.264 1062 P C 0.366 177.583 177.300 -0.139 0.000 1.179 1062 P CA 0.548 63.547 63.100 -0.169 0.000 0.763 1062 P CB 0.075 31.640 31.700 -0.224 0.000 0.806 1063 N N -0.550 118.086 118.700 -0.108 0.000 2.946 1063 N HA -0.244 4.496 4.740 -0.000 0.000 0.228 1063 N C 0.080 175.550 175.510 -0.067 0.000 0.873 1063 N CA 0.777 53.767 53.050 -0.099 0.000 1.029 1063 N CB -1.960 36.445 38.487 -0.137 0.000 1.047 1063 N HN 0.453 nan 8.380 nan 0.000 0.612 1064 F N 3.414 123.250 119.950 -0.189 0.000 2.629 1064 F HA 0.080 4.607 4.527 -0.000 0.000 0.377 1064 F C -0.939 174.781 175.800 -0.133 0.000 1.101 1064 F CA -0.640 57.249 58.000 -0.185 0.000 1.301 1064 F CB 0.803 39.639 39.000 -0.273 0.000 1.062 1064 F HN -0.038 nan 8.300 nan 0.000 0.583 1065 P HA 0.005 nan 4.420 nan 0.000 0.245 1065 P C -0.452 176.467 177.300 -0.634 0.000 1.206 1065 P CA 0.304 62.505 63.100 -1.498 0.000 0.781 1065 P CB 0.038 31.103 31.700 -1.059 0.000 0.994 1066 N N 1.125 119.600 118.700 -0.375 0.000 2.297 1066 N HA 0.006 4.746 4.740 -0.000 0.000 0.232 1066 N C 0.194 175.574 175.510 -0.216 0.000 1.311 1066 N CA 0.255 53.158 53.050 -0.246 0.000 0.897 1066 N CB 0.052 38.431 38.487 -0.180 0.000 1.137 1066 N HN -0.016 nan 8.380 nan 0.000 0.449 1067 N N 0.686 119.264 118.700 -0.204 0.000 2.497 1067 N HA 0.017 4.757 4.740 -0.000 0.000 0.268 1067 N C -0.476 174.906 175.510 -0.213 0.000 1.171 1067 N CA -0.036 52.859 53.050 -0.259 0.000 0.948 1067 N CB 0.012 38.337 38.487 -0.269 0.000 1.069 1067 N HN 0.326 nan 8.380 nan 0.000 0.460 1068 Y N 1.492 121.739 120.300 -0.088 0.000 2.426 1068 Y HA 0.491 5.041 4.550 -0.000 0.000 0.344 1068 Y C -2.389 173.457 175.900 -0.091 0.000 1.256 1068 Y CA -2.500 55.530 58.100 -0.116 0.000 1.451 1068 Y CB -0.864 37.563 38.460 -0.055 0.000 1.342 1068 Y HN 0.452 nan 8.280 nan 0.000 0.600 1069 P HA 0.206 nan 4.420 nan 0.000 0.277 1069 P C -0.875 176.581 177.300 0.259 0.000 1.271 1069 P CA -0.500 62.599 63.100 -0.000 0.000 0.795 1069 P CB 0.752 32.207 31.700 -0.408 0.000 1.101 1070 N N 0.363 119.179 118.700 0.195 0.000 2.508 1070 N HA 0.137 4.877 4.740 -0.000 0.000 0.285 1070 N C 0.197 175.867 175.510 0.267 0.000 1.144 1070 N CA -0.220 52.963 53.050 0.223 0.000 0.978 1070 N CB -0.233 38.338 38.487 0.140 0.000 1.180 1070 N HN 0.402 nan 8.380 nan 0.000 0.484 1071 N N -1.024 117.794 118.700 0.197 0.000 2.713 1071 N HA -0.208 4.531 4.740 -0.000 0.000 0.251 1071 N C -0.929 174.698 175.510 0.195 0.000 1.117 1071 N CA 0.663 53.804 53.050 0.152 0.000 0.770 1071 N CB -0.638 37.925 38.487 0.126 0.000 1.137 1071 N HN 0.556 nan 8.380 nan 0.000 0.566 1072 W N 1.256 122.553 121.300 -0.004 0.000 2.202 1072 W HA 0.278 4.938 4.660 -0.000 0.000 0.332 1072 W C 0.613 177.084 176.519 -0.080 0.000 1.263 1072 W CA -0.019 57.327 57.345 0.002 0.000 1.223 1072 W CB 0.708 30.231 29.460 0.106 0.000 1.128 1072 W HN 0.079 nan 8.180 nan 0.000 0.573 1073 E N 2.953 122.932 120.200 -0.368 0.000 2.343 1073 E HA 0.506 4.855 4.350 -0.000 0.000 0.270 1073 E C -1.795 174.632 176.600 -0.288 0.000 0.895 1073 E CA -0.597 55.646 56.400 -0.261 0.000 0.767 1073 E CB 2.360 31.914 29.700 -0.244 0.000 1.248 1073 E HN 0.419 nan 8.360 nan 0.000 0.440 1074 c N 4.803 123.345 118.600 -0.096 0.000 3.094 1074 c HA 0.512 5.082 4.570 -0.000 0.000 0.414 1074 c C -1.662 172.308 174.090 -0.200 0.000 0.993 1074 c CA -0.508 55.753 56.329 -0.114 0.000 1.217 1074 c CB -0.018 42.567 42.510 0.124 0.000 1.603 1074 c HN 0.767 nan 8.230 nan 0.000 0.564 1075 I N 4.705 125.048 120.570 -0.380 0.000 2.603 1075 I HA 0.533 4.703 4.170 -0.000 0.000 0.300 1075 I C -1.171 174.624 176.117 -0.535 0.000 1.017 1075 I CA -0.650 60.406 61.300 -0.405 0.000 1.098 1075 I CB 2.030 39.866 38.000 -0.273 0.000 1.279 1075 I HN 0.681 nan 8.210 nan 0.000 0.437 1076 Y N 4.124 124.232 120.300 -0.320 0.000 2.333 1076 Y HA 0.433 4.983 4.550 -0.000 0.000 0.324 1076 Y C -0.455 175.244 175.900 -0.335 0.000 1.033 1076 Y CA -0.972 57.001 58.100 -0.211 0.000 1.224 1076 Y CB 1.198 39.570 38.460 -0.146 0.000 1.120 1076 Y HN 0.413 nan 8.280 nan 0.000 0.457 1077 R N 3.466 123.914 120.500 -0.088 0.000 2.457 1077 R HA 0.777 5.117 4.340 -0.000 0.000 0.284 1077 R C -0.947 175.296 176.300 -0.095 0.000 1.024 1077 R CA -0.928 55.133 56.100 -0.066 0.000 1.025 1077 R CB 1.278 31.579 30.300 0.002 0.000 1.063 1077 R HN 0.717 nan 8.270 nan 0.000 0.493 1078 I N -2.027 118.438 120.570 -0.176 0.000 2.534 1078 I HA 0.426 4.596 4.170 -0.000 0.000 0.286 1078 I C -0.997 175.013 176.117 -0.179 0.000 1.094 1078 I CA -0.288 60.863 61.300 -0.249 0.000 1.055 1078 I CB 2.536 40.147 38.000 -0.650 0.000 1.225 1078 I HN 0.485 nan 8.210 nan 0.000 0.435 1079 T N 5.390 119.897 114.554 -0.078 0.000 2.952 1079 T HA 0.894 5.243 4.350 -0.000 0.000 0.286 1079 T C 0.160 174.879 174.700 0.031 0.000 1.024 1079 T CA -0.428 61.665 62.100 -0.011 0.000 1.029 1079 T CB 2.066 70.948 68.868 0.022 0.000 1.094 1079 T HN 0.846 nan 8.240 nan 0.000 0.515 1080 V N -1.634 118.315 119.914 0.057 0.000 3.087 1080 V HA 0.620 4.740 4.120 -0.000 0.000 0.312 1080 V C -0.728 175.384 176.094 0.029 0.000 1.482 1080 V CA -1.834 60.513 62.300 0.078 0.000 1.015 1080 V CB 0.933 32.827 31.823 0.118 0.000 1.055 1080 V HN 0.735 nan 8.190 nan 0.000 0.478 1081 R N 0.429 120.939 120.500 0.016 0.000 2.570 1081 R HA 0.332 4.671 4.340 -0.000 0.000 0.277 1081 R C 1.203 177.441 176.300 -0.102 0.000 1.039 1081 R CA 0.708 56.782 56.100 -0.044 0.000 1.065 1081 R CB 0.475 30.761 30.300 -0.023 0.000 0.964 1081 R HN 0.853 nan 8.270 nan 0.000 0.428 1082 T N 1.577 115.995 114.554 -0.227 0.000 2.881 1082 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 1082 T C 1.835 176.415 174.700 -0.201 0.000 1.068 1082 T CA 1.372 63.239 62.100 -0.389 0.000 1.131 1082 T CB -0.096 68.320 68.868 -0.753 0.000 0.871 1082 T HN 0.865 nan 8.240 nan 0.000 0.479 1083 G N 1.106 109.828 108.800 -0.130 0.000 2.484 1083 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 1083 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 1083 G C 0.825 175.698 174.900 -0.045 0.000 1.219 1083 G CA 0.405 45.459 45.100 -0.075 0.000 0.791 1083 G HN 0.370 nan 8.290 nan 0.000 0.550 1084 Q N -0.646 119.138 119.800 -0.027 0.000 2.526 1084 Q HA 0.614 4.953 4.340 -0.000 0.000 0.207 1084 Q C -0.034 175.966 176.000 0.001 0.000 1.078 1084 Q CA 0.021 55.821 55.803 -0.005 0.000 1.041 1084 Q CB 0.701 29.448 28.738 0.015 0.000 1.228 1084 Q HN 0.295 nan 8.270 nan 0.000 0.603 1085 L N 0.424 121.649 121.223 0.002 0.000 2.330 1085 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 1085 L C -0.701 176.180 176.870 0.017 0.000 1.013 1085 L CA -0.920 53.916 54.840 -0.006 0.000 0.816 1085 L CB 1.202 43.236 42.059 -0.040 0.000 1.287 1085 L HN 0.462 nan 8.230 nan 0.000 0.435 1086 I N 1.584 122.157 120.570 0.004 0.000 2.396 1086 I HA 0.508 4.677 4.170 -0.000 0.000 0.292 1086 I C 0.141 176.245 176.117 -0.022 0.000 0.999 1086 I CA 0.192 61.502 61.300 0.016 0.000 1.310 1086 I CB 1.583 39.555 38.000 -0.047 0.000 1.404 1086 I HN 0.578 nan 8.210 nan 0.000 0.496 1087 A N 5.989 128.812 122.820 0.005 0.000 2.466 1087 A HA 0.618 4.938 4.320 -0.000 0.000 0.291 1087 A C -0.895 176.570 177.584 -0.198 0.000 1.234 1087 A CA -0.602 51.373 52.037 -0.103 0.000 0.752 1087 A CB 1.114 20.076 19.000 -0.063 0.000 1.153 1087 A HN 0.562 nan 8.150 nan 0.000 0.458 1088 V N 4.754 124.502 119.914 -0.277 0.000 2.407 1088 V HA 0.555 4.675 4.120 -0.000 0.000 0.278 1088 V C -0.599 175.167 176.094 -0.548 0.000 1.037 1088 V CA -0.313 61.794 62.300 -0.322 0.000 0.900 1088 V CB 0.774 32.450 31.823 -0.244 0.000 0.983 1088 V HN 0.827 nan 8.190 nan 0.000 0.459 1089 H N 5.644 124.381 119.070 -0.556 0.000 2.529 1089 H HA 0.452 5.008 4.556 -0.000 0.000 0.348 1089 H C -1.290 173.706 175.328 -0.553 0.000 1.152 1089 H CA -0.348 55.396 56.048 -0.507 0.000 1.202 1089 H CB 1.836 31.149 29.762 -0.747 0.000 1.562 1089 H HN 0.635 nan 8.280 nan 0.000 0.515 1090 F N 0.404 120.313 119.950 -0.069 0.000 2.443 1090 F HA 0.152 4.679 4.527 -0.000 0.000 0.335 1090 F C 1.297 177.155 175.800 0.098 0.000 1.104 1090 F CA -0.402 57.595 58.000 -0.004 0.000 1.013 1090 F CB 1.927 40.919 39.000 -0.013 0.000 1.136 1090 F HN 0.494 nan 8.300 nan 0.000 0.470 1091 T N 0.047 114.751 114.554 0.249 0.000 2.980 1091 T HA 0.079 4.429 4.350 -0.000 0.000 0.239 1091 T C 0.475 175.295 174.700 0.201 0.000 1.011 1091 T CA 0.184 62.407 62.100 0.204 0.000 1.171 1091 T CB 0.006 68.951 68.868 0.129 0.000 0.873 1091 T HN 0.377 nan 8.240 nan 0.000 0.431 1092 N N 0.194 118.998 118.700 0.174 0.000 2.370 1092 N HA 0.581 5.321 4.740 -0.000 0.000 0.303 1092 N C -1.979 173.738 175.510 0.346 0.000 1.103 1092 N CA -0.388 52.805 53.050 0.239 0.000 0.848 1092 N CB 2.404 41.070 38.487 0.299 0.000 1.235 1092 N HN 0.224 nan 8.380 nan 0.000 0.496 1093 F N 1.476 121.545 119.950 0.197 0.000 3.588 1093 F HA 0.087 4.613 4.527 -0.000 0.000 0.396 1093 F C -1.188 174.711 175.800 0.165 0.000 1.213 1093 F CA -0.422 57.689 58.000 0.186 0.000 1.387 1093 F CB 0.727 39.736 39.000 0.015 0.000 2.059 1093 F HN 0.274 nan 8.300 nan 0.000 0.754 1094 S N 7.472 123.399 115.700 0.378 0.000 2.756 1094 S HA 0.760 5.230 4.470 -0.000 0.000 0.303 1094 S C -1.707 173.093 174.600 0.334 0.000 1.135 1094 S CA -0.418 57.999 58.200 0.362 0.000 1.066 1094 S CB 0.850 64.193 63.200 0.238 0.000 1.008 1094 S HN 0.621 nan 8.310 nan 0.000 0.482 1095 L N 2.885 124.365 121.223 0.427 0.000 2.350 1095 L HA 0.554 4.894 4.340 -0.000 0.000 0.260 1095 L C 0.302 177.424 176.870 0.421 0.000 1.015 1095 L CA -0.922 54.196 54.840 0.463 0.000 0.821 1095 L CB 2.031 44.377 42.059 0.478 0.000 1.370 1095 L HN 0.738 nan 8.230 nan 0.000 0.416 1096 E N 1.578 122.022 120.200 0.408 0.000 2.508 1096 E HA -0.061 4.289 4.350 -0.000 0.000 0.266 1096 E C -0.453 176.341 176.600 0.323 0.000 1.010 1096 E CA -0.142 56.444 56.400 0.311 0.000 0.955 1096 E CB 0.715 30.581 29.700 0.278 0.000 0.946 1096 E HN 0.311 nan 8.360 nan 0.000 0.454 1097 E N 0.869 121.221 120.200 0.253 0.000 2.392 1097 E HA 0.208 4.558 4.350 -0.000 0.000 0.256 1097 E C -0.697 176.028 176.600 0.209 0.000 1.145 1097 E CA -0.102 56.452 56.400 0.257 0.000 0.929 1097 E CB 1.126 30.933 29.700 0.178 0.000 0.998 1097 E HN 0.543 nan 8.360 nan 0.000 0.442 1098 A N 2.327 125.243 122.820 0.160 0.000 2.320 1098 A HA 0.305 4.625 4.320 -0.000 0.000 0.287 1098 A C 0.026 177.607 177.584 -0.004 0.000 1.181 1098 A CA -0.616 51.407 52.037 -0.023 0.000 0.831 1098 A CB 0.090 18.873 19.000 -0.362 0.000 1.102 1098 A HN 0.355 nan 8.150 nan 0.000 0.513 1099 I N 3.448 124.020 120.570 0.003 0.000 2.483 1099 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 1099 I C 1.398 177.526 176.117 0.017 0.000 1.112 1099 I CA 1.278 62.577 61.300 -0.001 0.000 1.350 1099 I CB -1.496 36.481 38.000 -0.038 0.000 1.419 1099 I HN 1.075 nan 8.210 nan 0.000 0.523 1100 G N 7.447 116.249 108.800 0.003 0.000 2.614 1100 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.303 1100 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.303 1100 G C 0.756 175.613 174.900 -0.072 0.000 1.270 1100 G CA 0.291 45.398 45.100 0.011 0.000 0.988 1100 G HN 0.602 nan 8.290 nan 0.000 0.551 1101 N N 0.536 119.183 118.700 -0.089 0.000 2.314 1101 N HA 0.167 4.907 4.740 -0.000 0.000 0.200 1101 N C -0.153 175.044 175.510 -0.521 0.000 1.135 1101 N CA 0.322 53.182 53.050 -0.316 0.000 0.835 1101 N CB 0.086 38.400 38.487 -0.289 0.000 0.989 1101 N HN 0.459 nan 8.380 nan 0.000 0.478 1102 Y N 0.018 120.091 120.300 -0.378 0.000 2.310 1102 Y HA 0.213 4.763 4.550 -0.000 0.000 0.326 1102 Y C -0.018 175.639 175.900 -0.405 0.000 1.151 1102 Y CA -0.739 57.160 58.100 -0.335 0.000 1.195 1102 Y CB 0.590 38.959 38.460 -0.152 0.000 1.210 1102 Y HN -0.019 nan 8.280 nan 0.000 0.483 1103 Y N 1.029 121.324 120.300 -0.008 0.000 2.326 1103 Y HA 0.336 4.886 4.550 -0.000 0.000 0.337 1103 Y C 0.424 176.400 175.900 0.127 0.000 1.023 1103 Y CA -1.186 56.904 58.100 -0.016 0.000 1.143 1103 Y CB 1.055 39.486 38.460 -0.049 0.000 1.183 1103 Y HN 0.490 nan 8.280 nan 0.000 0.485 1104 T N 0.307 115.031 114.554 0.284 0.000 2.824 1104 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 1104 T C -1.185 173.698 174.700 0.305 0.000 0.995 1104 T CA -1.083 61.171 62.100 0.257 0.000 1.009 1104 T CB 1.067 70.043 68.868 0.178 0.000 0.955 1104 T HN 0.589 nan 8.240 nan 0.000 0.452 1105 D N 1.272 121.796 120.400 0.206 0.000 8.600 1105 D HA -0.100 4.540 4.640 -0.000 0.000 0.290 1105 D C -0.428 175.989 176.300 0.196 0.000 2.341 1105 D CA 1.264 55.273 54.000 0.016 0.000 2.146 1105 D CB -1.000 39.875 40.800 0.125 0.000 0.949 1105 D HN 0.736 nan 8.370 nan 0.000 0.665 1106 F N -0.811 119.122 119.950 -0.027 0.000 2.745 1106 F HA 0.745 5.272 4.527 -0.000 0.000 0.316 1106 F C -1.624 174.241 175.800 0.108 0.000 1.155 1106 F CA -1.586 56.469 58.000 0.091 0.000 0.937 1106 F CB 1.051 39.982 39.000 -0.115 0.000 1.361 1106 F HN 0.177 nan 8.300 nan 0.000 0.472 1107 L N 1.887 123.387 121.223 0.461 0.000 2.427 1107 L HA 0.440 4.780 4.340 -0.000 0.000 0.264 1107 L C -0.660 176.471 176.870 0.434 0.000 0.989 1107 L CA -0.266 54.784 54.840 0.350 0.000 0.865 1107 L CB 1.334 43.474 42.059 0.136 0.000 1.209 1107 L HN 0.800 nan 8.230 nan 0.000 0.430 1108 E N 4.847 125.300 120.200 0.423 0.000 2.265 1108 E HA 0.306 4.656 4.350 -0.000 0.000 0.272 1108 E C -0.963 175.803 176.600 0.276 0.000 1.067 1108 E CA -0.045 56.551 56.400 0.327 0.000 0.900 1108 E CB 0.530 30.445 29.700 0.358 0.000 1.017 1108 E HN 0.600 nan 8.360 nan 0.000 0.431 1109 I N 5.676 126.433 120.570 0.311 0.000 2.355 1109 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 1109 I C 0.203 176.493 176.117 0.288 0.000 0.999 1109 I CA -0.619 60.844 61.300 0.271 0.000 1.163 1109 I CB 1.307 39.468 38.000 0.268 0.000 1.316 1109 I HN 0.370 nan 8.210 nan 0.000 0.454 1110 R N 3.151 123.858 120.500 0.345 0.000 2.732 1110 R HA 0.245 4.585 4.340 -0.000 0.000 0.278 1110 R C 0.220 176.665 176.300 0.243 0.000 0.976 1110 R CA -0.818 55.471 56.100 0.314 0.000 0.963 1110 R CB 1.771 32.309 30.300 0.397 0.000 1.150 1110 R HN 0.499 nan 8.270 nan 0.000 0.478 1111 D N 0.790 121.312 120.400 0.202 0.000 2.249 1111 D HA 0.007 4.646 4.640 -0.000 0.000 0.205 1111 D C 0.969 177.379 176.300 0.185 0.000 0.962 1111 D CA 0.915 55.038 54.000 0.206 0.000 0.860 1111 D CB 0.250 41.191 40.800 0.235 0.000 0.955 1111 D HN 0.628 nan 8.370 nan 0.000 0.505 1112 G N -1.190 107.708 108.800 0.163 0.000 2.975 1112 G HA2 0.413 4.373 3.960 -0.000 0.000 0.159 1112 G HA3 0.413 4.373 3.960 -0.000 0.000 0.159 1112 G C 0.680 175.626 174.900 0.077 0.000 1.525 1112 G CA 0.112 45.294 45.100 0.138 0.000 1.075 1112 G HN 0.192 nan 8.290 nan 0.000 0.574 1113 G N -1.629 107.132 108.800 -0.065 0.000 3.969 1113 G HA2 0.521 4.481 3.960 -0.000 0.000 0.291 1113 G HA3 0.521 4.481 3.960 -0.000 0.000 0.291 1113 G C -0.814 173.632 174.900 -0.756 0.000 1.016 1113 G CA -0.129 44.775 45.100 -0.326 0.000 0.819 1113 G HN 0.292 nan 8.290 nan 0.000 0.493 1114 Y N -0.776 119.379 120.300 -0.241 0.000 2.615 1114 Y HA 0.286 4.836 4.550 -0.000 0.000 0.341 1114 Y C 0.957 176.152 175.900 -1.175 0.000 1.089 1114 Y CA -1.370 56.375 58.100 -0.592 0.000 1.049 1114 Y CB 1.240 39.484 38.460 -0.359 0.000 1.296 1114 Y HN 0.194 nan 8.280 nan 0.000 0.470 1115 E N -0.201 119.289 120.200 -1.183 0.000 2.515 1115 E HA -0.025 4.325 4.350 -0.000 0.000 0.201 1115 E C 0.320 176.488 176.600 -0.719 0.000 1.071 1115 E CA 1.041 56.503 56.400 -1.564 0.000 0.880 1115 E CB 0.085 29.314 29.700 -0.786 0.000 0.828 1115 E HN 0.514 nan 8.360 nan 0.000 0.540 1116 K N 0.403 120.550 120.400 -0.422 0.000 2.517 1116 K HA 0.169 4.489 4.320 -0.000 0.000 0.210 1116 K C -0.431 176.103 176.600 -0.110 0.000 1.166 1116 K CA -0.182 55.979 56.287 -0.209 0.000 1.030 1116 K CB 1.145 33.545 32.500 -0.166 0.000 0.974 1116 K HN -0.047 nan 8.250 nan 0.000 0.585 1117 S N 2.954 118.596 115.700 -0.096 0.000 2.566 1117 S HA 0.081 4.551 4.470 -0.000 0.000 0.280 1117 S C -2.438 172.189 174.600 0.045 0.000 1.343 1117 S CA -0.816 57.396 58.200 0.019 0.000 1.036 1117 S CB 0.056 63.296 63.200 0.068 0.000 0.866 1117 S HN 0.011 nan 8.310 nan 0.000 0.526 1118 P HA -0.005 nan 4.420 nan 0.000 0.268 1118 P C -0.675 176.685 177.300 0.099 0.000 1.189 1118 P CA -0.218 62.925 63.100 0.070 0.000 0.771 1118 P CB 0.276 32.026 31.700 0.083 0.000 0.822 1119 L N 4.204 125.476 121.223 0.081 0.000 2.270 1119 L HA 0.169 4.509 4.340 -0.000 0.000 0.286 1119 L C 0.882 177.820 176.870 0.112 0.000 1.059 1119 L CA 0.178 55.077 54.840 0.097 0.000 0.839 1119 L CB -0.469 41.621 42.059 0.051 0.000 1.221 1119 L HN 0.378 nan 8.230 nan 0.000 0.431 1120 L N 4.077 125.398 121.223 0.165 0.000 2.131 1120 L HA 0.150 4.490 4.340 -0.000 0.000 0.210 1120 L C 0.993 177.971 176.870 0.181 0.000 1.092 1120 L CA 0.977 55.931 54.840 0.188 0.000 0.759 1120 L CB -0.302 41.890 42.059 0.221 0.000 0.903 1120 L HN 0.861 nan 8.230 nan 0.000 0.435 1121 G N -0.844 108.047 108.800 0.150 0.000 2.368 1121 G HA2 0.250 4.209 3.960 -0.000 0.000 0.303 1121 G HA3 0.250 4.209 3.960 -0.000 0.000 0.303 1121 G C -1.481 173.365 174.900 -0.090 0.000 1.590 1121 G CA -0.863 44.191 45.100 -0.076 0.000 0.938 1121 G HN -0.099 nan 8.290 nan 0.000 0.675 1122 I N 0.144 120.492 120.570 -0.370 0.000 2.441 1122 I HA 0.673 4.843 4.170 -0.000 0.000 0.295 1122 I C -0.820 175.064 176.117 -0.388 0.000 0.994 1122 I CA -0.800 60.373 61.300 -0.211 0.000 1.144 1122 I CB 1.823 39.617 38.000 -0.345 0.000 1.314 1122 I HN 0.335 nan 8.210 nan 0.000 0.445 1123 F N 5.371 125.422 119.950 0.168 0.000 2.556 1123 F HA 0.572 5.099 4.527 -0.000 0.000 0.314 1123 F C -0.299 175.743 175.800 0.403 0.000 1.106 1123 F CA -0.624 57.436 58.000 0.099 0.000 0.911 1123 F CB 1.623 40.554 39.000 -0.115 0.000 1.190 1123 F HN 0.390 nan 8.300 nan 0.000 0.448 1124 Y N -0.172 120.372 120.300 0.406 0.000 2.896 1124 Y HA 0.874 5.424 4.550 -0.000 0.000 0.317 1124 Y C 0.578 176.717 175.900 0.398 0.000 1.444 1124 Y CA -1.353 57.030 58.100 0.472 0.000 1.084 1124 Y CB 0.230 38.937 38.460 0.411 0.000 1.382 1124 Y HN 0.946 nan 8.280 nan 0.000 0.471 1125 G N 0.684 109.834 108.800 0.582 0.000 2.582 1125 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.288 1125 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.288 1125 G C 0.390 175.484 174.900 0.324 0.000 1.247 1125 G CA 0.629 45.955 45.100 0.376 0.000 0.972 1125 G HN 1.208 nan 8.290 nan 0.000 0.557 1126 S N 0.913 116.709 115.700 0.159 0.000 2.733 1126 S HA 0.243 4.712 4.470 -0.000 0.000 0.247 1126 S C 0.285 174.914 174.600 0.049 0.000 1.043 1126 S CA 0.020 58.324 58.200 0.174 0.000 1.066 1126 S CB 0.339 63.627 63.200 0.146 0.000 1.045 1126 S HN 0.637 nan 8.310 nan 0.000 0.586 1127 N N 1.968 120.597 118.700 -0.120 0.000 2.499 1127 N HA 0.290 5.030 4.740 -0.000 0.000 0.281 1127 N C -0.607 174.668 175.510 -0.392 0.000 1.098 1127 N CA -0.255 52.679 53.050 -0.195 0.000 0.979 1127 N CB 0.467 38.838 38.487 -0.193 0.000 1.121 1127 N HN 0.197 nan 8.380 nan 0.000 0.466 1128 L N 3.371 124.444 121.223 -0.250 0.000 2.500 1128 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 1128 L C -1.674 174.938 176.870 -0.431 0.000 1.149 1128 L CA -1.205 53.454 54.840 -0.303 0.000 0.897 1128 L CB -0.016 41.999 42.059 -0.073 0.000 1.178 1128 L HN 0.271 nan 8.230 nan 0.000 0.473 1129 P HA 0.032 nan 4.420 nan 0.000 0.267 1129 P C -2.271 174.822 177.300 -0.345 0.000 1.195 1129 P CA -0.673 61.978 63.100 -0.748 0.000 0.773 1129 P CB -0.175 30.547 31.700 -1.630 0.000 0.837 1130 P HA 0.062 nan 4.420 nan 0.000 0.274 1130 P C -0.420 176.847 177.300 -0.054 0.000 1.264 1130 P CA -0.032 63.031 63.100 -0.062 0.000 0.795 1130 P CB 0.037 31.733 31.700 -0.007 0.000 1.064 1131 T N 1.290 115.819 114.554 -0.043 0.000 2.870 1131 T HA 0.221 4.570 4.350 -0.000 0.000 0.300 1131 T C 0.378 175.007 174.700 -0.119 0.000 0.989 1131 T CA 0.040 62.057 62.100 -0.139 0.000 1.139 1131 T CB -0.327 68.436 68.868 -0.176 0.000 0.920 1131 T HN 0.098 nan 8.240 nan 0.000 0.537 1132 I N 4.376 124.863 120.570 -0.138 0.000 2.385 1132 I HA 0.423 4.593 4.170 -0.000 0.000 0.294 1132 I C 0.014 176.061 176.117 -0.117 0.000 0.988 1132 I CA -0.825 60.429 61.300 -0.077 0.000 1.265 1132 I CB 0.993 38.977 38.000 -0.027 0.000 1.388 1132 I HN 0.429 nan 8.210 nan 0.000 0.480 1133 I N 4.293 124.812 120.570 -0.086 0.000 2.533 1133 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 1133 I C 0.597 176.622 176.117 -0.153 0.000 1.056 1133 I CA -0.354 60.874 61.300 -0.120 0.000 1.057 1133 I CB 1.886 39.807 38.000 -0.131 0.000 1.240 1133 I HN 0.635 nan 8.210 nan 0.000 0.423 1134 S N 4.333 119.950 115.700 -0.138 0.000 2.607 1134 S HA 0.427 4.897 4.470 -0.000 0.000 0.272 1134 S C 0.238 174.655 174.600 -0.305 0.000 1.166 1134 S CA -0.222 57.920 58.200 -0.098 0.000 1.021 1134 S CB 0.760 63.961 63.200 0.002 0.000 1.113 1134 S HN 0.696 nan 8.310 nan 0.000 0.531 1135 H N -1.448 117.654 119.070 0.053 0.000 3.052 1135 H HA 0.604 5.159 4.556 -0.000 0.000 0.257 1135 H C -0.091 175.234 175.328 -0.004 0.000 1.193 1135 H CA 0.047 56.101 56.048 0.010 0.000 1.072 1135 H CB 0.618 30.458 29.762 0.130 0.000 1.685 1135 H HN 0.466 nan 8.280 nan 0.000 0.630 1136 S N 0.065 115.838 115.700 0.121 0.000 2.752 1136 S HA 0.158 4.628 4.470 -0.000 0.000 0.284 1136 S C -0.213 174.438 174.600 0.085 0.000 1.189 1136 S CA -0.653 57.618 58.200 0.118 0.000 0.835 1136 S CB 0.766 64.062 63.200 0.161 0.000 1.192 1136 S HN 0.472 nan 8.310 nan 0.000 0.506 1137 N N 0.868 119.638 118.700 0.116 0.000 2.270 1137 N HA 0.170 4.910 4.740 -0.000 0.000 0.198 1137 N C -0.479 175.070 175.510 0.064 0.000 1.117 1137 N CA -0.056 53.044 53.050 0.084 0.000 0.845 1137 N CB 0.016 38.557 38.487 0.089 0.000 0.980 1137 N HN 0.316 nan 8.380 nan 0.000 0.486 1138 K N 0.634 121.074 120.400 0.067 0.000 2.207 1138 K HA 0.517 4.836 4.320 -0.000 0.000 0.255 1138 K C -0.911 175.694 176.600 0.007 0.000 0.941 1138 K CA -0.609 55.688 56.287 0.018 0.000 0.825 1138 K CB 2.463 34.968 32.500 0.009 0.000 1.119 1138 K HN -0.025 nan 8.250 nan 0.000 0.430 1139 L N 1.821 123.020 121.223 -0.041 0.000 2.409 1139 L HA 0.503 4.843 4.340 -0.000 0.000 0.262 1139 L C -1.666 175.227 176.870 0.038 0.000 0.992 1139 L CA -0.920 53.907 54.840 -0.020 0.000 0.817 1139 L CB 2.067 44.034 42.059 -0.152 0.000 1.350 1139 L HN 0.735 nan 8.230 nan 0.000 0.411 1140 W N 4.721 125.973 121.300 -0.080 0.000 2.781 1140 W HA 0.691 5.351 4.660 -0.000 0.000 0.333 1140 W C -1.964 174.570 176.519 0.024 0.000 1.047 1140 W CA -0.334 56.985 57.345 -0.043 0.000 1.236 1140 W CB 1.234 30.673 29.460 -0.034 0.000 1.394 1140 W HN 0.179 nan 8.180 nan 0.000 0.466 1141 L N 5.741 126.553 121.223 -0.686 0.000 2.388 1141 L HA 0.592 4.932 4.340 -0.000 0.000 0.264 1141 L C -0.614 175.862 176.870 -0.658 0.000 0.998 1141 L CA -1.286 53.285 54.840 -0.448 0.000 0.817 1141 L CB 2.334 44.297 42.059 -0.159 0.000 1.338 1141 L HN 0.366 nan 8.230 nan 0.000 0.414 1142 K N 2.268 122.489 120.400 -0.299 0.000 2.513 1142 K HA 0.432 4.752 4.320 -0.000 0.000 0.251 1142 K C -2.056 174.633 176.600 0.148 0.000 0.939 1142 K CA -0.503 55.708 56.287 -0.127 0.000 0.793 1142 K CB 2.492 34.905 32.500 -0.145 0.000 1.241 1142 K HN 0.449 nan 8.250 nan 0.000 0.431 1143 F N 4.835 124.804 119.950 0.031 0.000 2.403 1143 F HA 0.462 4.989 4.527 -0.000 0.000 0.355 1143 F C -0.866 174.781 175.800 -0.255 0.000 1.119 1143 F CA -0.634 57.333 58.000 -0.055 0.000 1.007 1143 F CB 0.899 40.036 39.000 0.228 0.000 1.194 1143 F HN 0.213 nan 8.300 nan 0.000 0.443 1144 K N 3.737 123.365 120.400 -1.288 0.000 2.164 1144 K HA 0.519 4.839 4.320 -0.000 0.000 0.258 1144 K C -0.867 175.018 176.600 -1.193 0.000 0.951 1144 K CA -0.415 55.210 56.287 -1.105 0.000 0.844 1144 K CB 1.866 33.783 32.500 -0.972 0.000 1.099 1144 K HN 0.743 nan 8.250 nan 0.000 0.435 1145 S N 0.688 116.004 115.700 -0.640 0.000 2.536 1145 S HA 0.510 4.980 4.470 -0.000 0.000 0.287 1145 S C -0.542 174.019 174.600 -0.066 0.000 1.101 1145 S CA -0.929 57.072 58.200 -0.332 0.000 0.950 1145 S CB 1.662 64.770 63.200 -0.154 0.000 1.056 1145 S HN 0.527 nan 8.310 nan 0.000 0.481 1146 D N 1.565 121.976 120.400 0.019 0.000 2.511 1146 D HA 0.266 4.906 4.640 -0.000 0.000 0.276 1146 D C 0.977 177.329 176.300 0.088 0.000 1.220 1146 D CA -0.608 53.431 54.000 0.064 0.000 1.077 1146 D CB -0.065 40.785 40.800 0.084 0.000 1.126 1146 D HN 0.436 nan 8.370 nan 0.000 0.583 1147 Q N -0.956 118.889 119.800 0.076 0.000 2.197 1147 Q HA 0.056 4.396 4.340 -0.000 0.000 0.207 1147 Q C 0.066 176.109 176.000 0.072 0.000 0.984 1147 Q CA 1.286 57.131 55.803 0.070 0.000 0.869 1147 Q CB -0.143 28.627 28.738 0.053 0.000 0.906 1147 Q HN 0.431 nan 8.270 nan 0.000 0.426 1148 I N -0.677 119.939 120.570 0.076 0.000 3.074 1148 I HA 0.280 4.450 4.170 -0.000 0.000 0.310 1148 I C -1.077 175.091 176.117 0.085 0.000 1.153 1148 I CA -0.924 60.416 61.300 0.067 0.000 0.993 1148 I CB 2.140 40.170 38.000 0.049 0.000 1.237 1148 I HN 0.003 nan 8.210 nan 0.000 0.443 1149 D N 1.118 121.557 120.400 0.065 0.000 8.877 1149 D HA -0.087 4.553 4.640 -0.000 0.000 0.270 1149 D C -1.043 175.301 176.300 0.073 0.000 2.474 1149 D CA 0.864 54.901 54.000 0.062 0.000 2.317 1149 D CB 0.117 40.967 40.800 0.083 0.000 0.943 1149 D HN 0.647 nan 8.370 nan 0.000 0.652 1150 T N 2.981 117.514 114.554 -0.035 0.000 2.903 1150 T HA 0.828 5.177 4.350 -0.000 0.000 0.299 1150 T C -0.321 174.162 174.700 -0.361 0.000 1.093 1150 T CA -0.904 61.041 62.100 -0.258 0.000 1.002 1150 T CB 1.931 70.661 68.868 -0.230 0.000 1.127 1150 T HN 0.308 nan 8.240 nan 0.000 0.488 1151 R N 0.273 120.319 120.500 -0.758 0.000 3.145 1151 R HA 0.503 4.843 4.340 -0.000 0.000 0.253 1151 R C 1.473 177.524 176.300 -0.415 0.000 1.289 1151 R CA -0.483 55.394 56.100 -0.372 0.000 1.030 1151 R CB -0.125 30.142 30.300 -0.055 0.000 1.387 1151 R HN 0.686 nan 8.270 nan 0.000 0.466 1152 S N -0.763 114.868 115.700 -0.116 0.000 2.406 1152 S HA 0.151 4.621 4.470 -0.000 0.000 0.224 1152 S C 1.156 175.864 174.600 0.180 0.000 1.030 1152 S CA 1.011 59.176 58.200 -0.057 0.000 0.958 1152 S CB -0.122 63.048 63.200 -0.051 0.000 0.811 1152 S HN 1.064 nan 8.310 nan 0.000 0.489 1153 G N 1.288 110.277 108.800 0.315 0.000 2.466 1153 G HA2 0.063 4.023 3.960 -0.000 0.000 0.218 1153 G HA3 0.063 4.023 3.960 -0.000 0.000 0.218 1153 G C -0.486 174.496 174.900 0.137 0.000 1.237 1153 G CA -0.332 44.945 45.100 0.295 0.000 0.954 1153 G HN 1.302 nan 8.290 nan 0.000 0.580 1154 F N -1.162 118.636 119.950 -0.253 0.000 2.650 1154 F HA 0.916 5.443 4.527 -0.000 0.000 0.320 1154 F C -0.083 175.179 175.800 -0.897 0.000 1.091 1154 F CA -0.607 57.120 58.000 -0.455 0.000 0.962 1154 F CB 1.934 40.654 39.000 -0.468 0.000 1.363 1154 F HN 1.294 nan 8.300 nan 0.000 0.482 1155 S N 1.142 116.477 115.700 -0.608 0.000 2.572 1155 S HA 0.876 5.345 4.470 -0.000 0.000 0.274 1155 S C -1.415 172.929 174.600 -0.426 0.000 1.150 1155 S CA 0.151 57.885 58.200 -0.777 0.000 0.944 1155 S CB 1.082 63.697 63.200 -0.977 0.000 1.071 1155 S HN 1.715 nan 8.310 nan 0.000 0.479 1156 A N 3.048 125.474 122.820 -0.657 0.000 2.594 1156 A HA 0.909 5.229 4.320 -0.000 0.000 0.291 1156 A C -1.469 176.042 177.584 -0.121 0.000 1.105 1156 A CA -0.818 50.891 52.037 -0.547 0.000 0.694 1156 A CB 0.965 19.189 19.000 -1.295 0.000 1.291 1156 A HN 1.534 nan 8.150 nan 0.000 0.410 1157 Y N -1.518 118.776 120.300 -0.009 0.000 2.693 1157 Y HA 0.949 5.499 4.550 -0.000 0.000 0.331 1157 Y C -0.939 175.190 175.900 0.383 0.000 1.092 1157 Y CA -1.559 56.649 58.100 0.179 0.000 1.131 1157 Y CB 1.264 39.688 38.460 -0.059 0.000 1.318 1157 Y HN 0.875 nan 8.280 nan 0.000 0.510 1158 W N -0.223 121.144 121.300 0.111 0.000 3.296 1158 W HA 0.467 5.127 4.660 -0.000 0.000 0.314 1158 W C -2.306 174.273 176.519 0.100 0.000 1.238 1158 W CA -1.137 56.217 57.345 0.015 0.000 1.193 1158 W CB 1.135 30.542 29.460 -0.088 0.000 1.383 1158 W HN 0.464 nan 8.180 nan 0.000 0.545 1159 D N 1.129 121.685 120.400 0.260 0.000 2.303 1159 D HA 0.398 5.038 4.640 -0.000 0.000 0.236 1159 D C 0.661 177.061 176.300 0.166 0.000 1.068 1159 D CA -0.363 53.728 54.000 0.152 0.000 0.830 1159 D CB 1.903 42.796 40.800 0.156 0.000 1.109 1159 D HN 0.655 nan 8.370 nan 0.000 0.496 1160 G N 1.046 109.923 108.800 0.128 0.000 3.939 1160 G HA2 0.334 4.294 3.960 -0.000 0.000 0.268 1160 G HA3 0.334 4.294 3.960 -0.000 0.000 0.268 1160 G C -0.296 174.643 174.900 0.066 0.000 1.172 1160 G CA -0.371 44.805 45.100 0.127 0.000 1.614 1160 G HN 0.245 nan 8.290 nan 0.000 0.639 1161 S N -0.379 115.355 115.700 0.055 0.000 2.614 1161 S HA 0.701 5.171 4.470 -0.000 0.000 0.288 1161 S C 0.272 174.888 174.600 0.027 0.000 1.137 1161 S CA -0.247 57.974 58.200 0.034 0.000 0.992 1161 S CB 2.058 65.276 63.200 0.030 0.000 1.026 1161 S HN 0.454 nan 8.310 nan 0.000 0.486 1162 S N 1.754 117.464 115.700 0.017 0.000 2.013 1162 S HA -0.089 4.381 4.470 -0.000 0.000 0.101 1162 S C 0.660 175.264 174.600 0.008 0.000 0.534 1162 S CA 1.006 59.214 58.200 0.013 0.000 1.602 1162 S CB -1.081 62.125 63.200 0.011 0.000 0.832 1162 S HN 1.158 nan 8.310 nan 0.000 0.378 1163 T N 0.829 115.382 114.554 -0.000 0.000 8.089 1163 T HA -0.150 4.200 4.350 -0.000 0.000 0.315 1163 T C 0.885 175.576 174.700 -0.015 0.000 2.025 1163 T CA 1.715 63.809 62.100 -0.011 0.000 3.021 1163 T CB -2.217 66.647 68.868 -0.005 0.000 2.356 1163 T HN 1.361 nan 8.240 nan 0.000 1.220 1164 G N -0.110 108.685 108.800 -0.010 0.000 2.634 1164 G HA2 0.468 4.428 3.960 -0.000 0.000 0.255 1164 G HA3 0.468 4.428 3.960 -0.000 0.000 0.255 1164 G C 0.336 175.200 174.900 -0.059 0.000 1.205 1164 G CA 0.099 45.188 45.100 -0.018 0.000 0.884 1164 G HN 1.538 nan 8.290 nan 0.000 0.549 1165 c N -0.620 117.914 118.600 -0.110 0.000 3.241 1165 c HA 0.881 5.450 4.570 -0.000 0.000 0.348 1165 c C 0.492 174.366 174.090 -0.360 0.000 1.180 1165 c CA 0.778 57.003 56.329 -0.174 0.000 1.273 1165 c CB 0.829 43.264 42.510 -0.124 0.000 1.620 1165 c HN 2.812 nan 8.230 nan 0.000 0.510 1166 G N 1.761 110.285 108.800 -0.459 0.000 2.660 1166 G HA2 0.565 4.524 3.960 -0.000 0.000 0.247 1166 G HA3 0.565 4.524 3.960 -0.000 0.000 0.247 1166 G C 0.024 174.839 174.900 -0.142 0.000 1.328 1166 G CA 0.285 44.925 45.100 -0.766 0.000 0.884 1166 G HN 3.054 nan 8.290 nan 0.000 0.531 1167 G N -2.150 106.687 108.800 0.062 0.000 2.490 1167 G HA2 0.550 4.510 3.960 -0.000 0.000 0.308 1167 G HA3 0.550 4.510 3.960 -0.000 0.000 0.308 1167 G C 0.084 175.091 174.900 0.178 0.000 1.286 1167 G CA 0.598 45.797 45.100 0.164 0.000 0.825 1167 G HN 0.932 nan 8.290 nan 0.000 0.479 1168 N N -0.593 118.191 118.700 0.140 0.000 2.398 1168 N HA 0.103 4.843 4.740 -0.000 0.000 0.188 1168 N C 0.570 176.026 175.510 -0.090 0.000 1.122 1168 N CA -0.109 52.989 53.050 0.080 0.000 0.866 1168 N CB -0.244 38.294 38.487 0.085 0.000 0.970 1168 N HN 0.404 nan 8.380 nan 0.000 0.462 1169 L N 0.921 122.125 121.223 -0.033 0.000 3.469 1169 L HA -0.239 4.101 4.340 -0.000 0.000 0.552 1169 L C 1.244 177.998 176.870 -0.194 0.000 1.007 1169 L CA 0.763 55.517 54.840 -0.144 0.000 1.100 1169 L CB -1.404 40.421 42.059 -0.390 0.000 0.965 1169 L HN 0.057 nan 8.230 nan 0.000 0.634 1170 T N -1.025 113.482 114.554 -0.078 0.000 3.023 1170 T HA 0.103 4.452 4.350 -0.000 0.000 0.253 1170 T C 0.833 175.537 174.700 0.007 0.000 1.038 1170 T CA 0.731 62.788 62.100 -0.072 0.000 0.962 1170 T CB 0.009 68.840 68.868 -0.060 0.000 1.018 1170 T HN 0.777 nan 8.240 nan 0.000 0.521 1171 T N -0.199 114.388 114.554 0.055 0.000 2.889 1171 T HA 0.302 4.652 4.350 -0.000 0.000 0.291 1171 T C 1.287 176.085 174.700 0.162 0.000 0.995 1171 T CA -0.535 61.610 62.100 0.074 0.000 1.092 1171 T CB 1.450 70.337 68.868 0.032 0.000 0.954 1171 T HN -0.105 nan 8.240 nan 0.000 0.506 1172 S N 1.622 117.407 115.700 0.142 0.000 2.528 1172 S HA 0.068 4.538 4.470 -0.000 0.000 0.244 1172 S C 0.937 175.641 174.600 0.173 0.000 0.982 1172 S CA 0.664 58.999 58.200 0.225 0.000 0.953 1172 S CB -0.642 62.625 63.200 0.112 0.000 0.754 1172 S HN 1.182 nan 8.310 nan 0.000 0.529 1173 S N -1.359 114.314 115.700 -0.045 0.000 2.580 1173 S HA 0.659 5.129 4.470 -0.000 0.000 0.281 1173 S C -0.603 173.627 174.600 -0.616 0.000 1.129 1173 S CA -0.192 57.738 58.200 -0.451 0.000 0.862 1173 S CB 1.170 64.225 63.200 -0.243 0.000 1.090 1173 S HN 0.537 nan 8.310 nan 0.000 0.451 1174 G N 0.689 108.822 108.800 -1.112 0.000 2.428 1174 G HA2 0.652 4.612 3.960 -0.000 0.000 0.305 1174 G HA3 0.652 4.612 3.960 -0.000 0.000 0.305 1174 G C -1.389 173.304 174.900 -0.345 0.000 1.260 1174 G CA -0.083 44.682 45.100 -0.558 0.000 0.853 1174 G HN 1.180 nan 8.290 nan 0.000 0.480 1175 T N 0.439 115.032 114.554 0.064 0.000 3.041 1175 T HA 0.652 5.002 4.350 -0.000 0.000 0.321 1175 T C -1.400 173.467 174.700 0.279 0.000 1.184 1175 T CA -0.276 61.918 62.100 0.157 0.000 1.050 1175 T CB 1.433 70.307 68.868 0.009 0.000 1.159 1175 T HN 1.247 nan 8.240 nan 0.000 0.469 1176 F N 1.230 121.073 119.950 -0.178 0.000 2.692 1176 F HA 0.930 5.457 4.527 -0.000 0.000 0.320 1176 F C -1.984 173.571 175.800 -0.409 0.000 1.123 1176 F CA -1.944 55.871 58.000 -0.308 0.000 0.961 1176 F CB 0.809 39.504 39.000 -0.508 0.000 1.383 1176 F HN 0.273 nan 8.300 nan 0.000 0.483 1177 I N 1.909 122.239 120.570 -0.400 0.000 2.534 1177 I HA 0.267 4.437 4.170 -0.000 0.000 0.288 1177 I C -0.414 175.410 176.117 -0.487 0.000 1.077 1177 I CA -0.778 60.208 61.300 -0.524 0.000 1.051 1177 I CB 1.719 39.645 38.000 -0.124 0.000 1.234 1177 I HN 0.829 nan 8.210 nan 0.000 0.425 1178 S N 7.203 122.205 115.700 -1.164 0.000 2.525 1178 S HA 0.292 4.761 4.470 -0.000 0.000 0.285 1178 S C -2.436 172.058 174.600 -0.177 0.000 1.283 1178 S CA -0.751 57.032 58.200 -0.696 0.000 1.072 1178 S CB -0.113 62.484 63.200 -1.005 0.000 0.867 1178 S HN 0.359 nan 8.310 nan 0.000 0.492 1179 P HA -0.087 nan 4.420 nan 0.000 0.272 1179 P C 0.750 178.059 177.300 0.016 0.000 1.194 1179 P CA 0.651 63.788 63.100 0.063 0.000 0.777 1179 P CB 0.153 31.914 31.700 0.100 0.000 0.814 1180 N N -2.106 116.598 118.700 0.006 0.000 2.922 1180 N HA -0.283 4.456 4.740 -0.000 0.000 0.224 1180 N C 0.233 175.816 175.510 0.121 0.000 0.833 1180 N CA 1.152 54.215 53.050 0.022 0.000 1.103 1180 N CB -2.002 36.364 38.487 -0.202 0.000 1.000 1180 N HN 0.535 nan 8.380 nan 0.000 0.621 1181 Y N 3.211 123.471 120.300 -0.067 0.000 3.073 1181 Y HA -0.047 4.502 4.550 -0.000 0.000 0.343 1181 Y C -1.213 174.574 175.900 -0.187 0.000 1.274 1181 Y CA -0.010 58.000 58.100 -0.151 0.000 1.554 1181 Y CB 0.514 38.846 38.460 -0.213 0.000 1.250 1181 Y HN 0.063 nan 8.280 nan 0.000 0.622 1182 P HA -0.047 nan 4.420 nan 0.000 0.242 1182 P C -0.277 176.665 177.300 -0.598 0.000 1.197 1182 P CA 0.614 62.881 63.100 -1.388 0.000 0.765 1182 P CB 0.047 31.012 31.700 -1.224 0.000 0.936 1183 M N 0.847 120.212 119.600 -0.392 0.000 2.233 1183 M HA 0.285 4.764 4.480 -0.000 0.000 0.350 1183 M C -2.183 174.057 176.300 -0.100 0.000 1.176 1183 M CA -2.868 52.316 55.300 -0.194 0.000 1.150 1183 M CB -0.502 32.048 32.600 -0.082 0.000 1.530 1183 M HN -0.295 nan 8.290 nan 0.000 0.459 1184 P HA -0.087 nan 4.420 nan 0.000 0.264 1184 P C -1.287 175.890 177.300 -0.204 0.000 1.173 1184 P CA 0.513 63.510 63.100 -0.173 0.000 0.761 1184 P CB -0.102 31.492 31.700 -0.178 0.000 0.794 1185 Y N 1.747 122.025 120.300 -0.038 0.000 2.282 1185 Y HA 0.419 4.969 4.550 -0.000 0.000 0.335 1185 Y C 0.438 176.291 175.900 -0.078 0.000 1.335 1185 Y CA -0.822 57.206 58.100 -0.120 0.000 1.529 1185 Y CB -0.466 37.984 38.460 -0.016 0.000 1.429 1185 Y HN 0.286 nan 8.280 nan 0.000 0.563 1186 Y N -0.004 120.486 120.300 0.317 0.000 2.298 1186 Y HA 0.254 4.804 4.550 -0.000 0.000 0.329 1186 Y C 0.412 176.484 175.900 0.287 0.000 1.293 1186 Y CA -0.896 57.316 58.100 0.186 0.000 1.388 1186 Y CB 0.143 38.635 38.460 0.053 0.000 1.309 1186 Y HN 0.744 nan 8.280 nan 0.000 0.544 1187 H N -2.624 116.678 119.070 0.386 0.000 2.544 1187 H HA 0.421 4.977 4.556 -0.000 0.000 0.342 1187 H C 0.616 176.066 175.328 0.204 0.000 1.185 1187 H CA -0.903 55.318 56.048 0.288 0.000 1.264 1187 H CB 1.170 31.062 29.762 0.217 0.000 1.607 1187 H HN 0.582 nan 8.280 nan 0.000 0.550 1188 S N -0.252 115.630 115.700 0.302 0.000 3.402 1188 S HA -0.273 4.197 4.470 -0.000 0.000 0.329 1188 S C 0.050 174.706 174.600 0.093 0.000 1.194 1188 S CA 0.728 59.045 58.200 0.194 0.000 0.951 1188 S CB -2.783 60.556 63.200 0.231 0.000 0.975 1188 S HN 1.409 nan 8.310 nan 0.000 0.574 1189 S N -0.307 115.441 115.700 0.080 0.000 2.608 1189 S HA 0.734 5.204 4.470 -0.000 0.000 0.291 1189 S C -0.638 173.939 174.600 -0.039 0.000 1.146 1189 S CA -0.771 57.435 58.200 0.009 0.000 1.043 1189 S CB 1.656 64.868 63.200 0.019 0.000 1.037 1189 S HN 0.499 nan 8.310 nan 0.000 0.520 1190 E N 0.991 121.105 120.200 -0.144 0.000 2.207 1190 E HA 0.408 4.758 4.350 -0.000 0.000 0.250 1190 E C -1.188 174.981 176.600 -0.719 0.000 0.890 1190 E CA -0.548 55.664 56.400 -0.314 0.000 0.749 1190 E CB 1.271 30.867 29.700 -0.174 0.000 1.193 1190 E HN 0.619 nan 8.360 nan 0.000 0.423 1191 c N 2.771 121.019 118.600 -0.586 0.000 2.364 1191 c HA 0.559 5.129 4.570 -0.000 0.000 0.356 1191 c C -0.779 172.868 174.090 -0.738 0.000 1.201 1191 c CA -0.496 55.438 56.329 -0.659 0.000 2.227 1191 c CB -0.197 42.107 42.510 -0.342 0.000 2.387 1191 c HN 0.625 nan 8.230 nan 0.000 0.546 1192 Y N -0.011 119.978 120.300 -0.519 0.000 2.504 1192 Y HA 0.595 5.145 4.550 -0.000 0.000 0.344 1192 Y C -0.879 174.598 175.900 -0.705 0.000 1.023 1192 Y CA -1.230 56.614 58.100 -0.425 0.000 1.020 1192 Y CB 0.874 39.260 38.460 -0.124 0.000 1.282 1192 Y HN 0.782 nan 8.280 nan 0.000 0.454 1193 W N 1.936 123.126 121.300 -0.183 0.000 3.259 1193 W HA 0.482 5.142 4.660 -0.000 0.000 0.331 1193 W C -1.708 174.593 176.519 -0.363 0.000 1.144 1193 W CA -1.583 55.627 57.345 -0.226 0.000 1.227 1193 W CB 0.936 30.232 29.460 -0.273 0.000 1.371 1193 W HN 0.546 nan 8.180 nan 0.000 0.491 1194 W N 5.543 126.732 121.300 -0.185 0.000 2.362 1194 W HA 0.690 5.350 4.660 -0.000 0.000 0.316 1194 W C -1.491 174.908 176.519 -0.200 0.000 1.024 1194 W CA -2.344 54.913 57.345 -0.147 0.000 1.270 1194 W CB 0.801 30.293 29.460 0.053 0.000 1.273 1194 W HN 0.330 nan 8.180 nan 0.000 0.424 1195 L N 7.218 128.278 121.223 -0.272 0.000 2.283 1195 L HA 0.385 4.725 4.340 -0.000 0.000 0.287 1195 L C 0.236 176.795 176.870 -0.518 0.000 1.073 1195 L CA -0.249 54.141 54.840 -0.750 0.000 0.822 1195 L CB 0.518 41.805 42.059 -1.288 0.000 1.186 1195 L HN 0.401 nan 8.230 nan 0.000 0.436 1196 K N 2.199 122.289 120.400 -0.518 0.000 2.553 1196 K HA 0.443 4.763 4.320 -0.000 0.000 0.250 1196 K C -0.385 176.244 176.600 0.048 0.000 0.953 1196 K CA -0.241 56.035 56.287 -0.020 0.000 0.800 1196 K CB 1.967 34.249 32.500 -0.364 0.000 1.243 1196 K HN 0.628 nan 8.250 nan 0.000 0.435 1197 S N 1.523 117.433 115.700 0.350 0.000 4.002 1197 S HA 0.252 4.722 4.470 -0.000 0.000 0.167 1197 S C -0.344 174.253 174.600 -0.005 0.000 0.914 1197 S CA -0.286 57.995 58.200 0.134 0.000 1.110 1197 S CB 0.087 63.411 63.200 0.206 0.000 1.714 1197 S HN 0.377 nan 8.310 nan 0.000 0.858 1198 S N 2.859 118.546 115.700 -0.021 0.000 2.505 1198 S HA 0.411 4.880 4.470 -0.000 0.000 0.276 1198 S C -0.747 173.810 174.600 -0.072 0.000 1.274 1198 S CA -0.369 57.756 58.200 -0.125 0.000 1.053 1198 S CB -0.099 63.062 63.200 -0.065 0.000 0.919 1198 S HN 0.478 nan 8.310 nan 0.000 0.490 1199 H N 1.480 120.496 119.070 -0.090 0.000 3.004 1199 H HA 0.269 4.825 4.556 -0.000 0.000 0.316 1199 H C 1.497 176.774 175.328 -0.086 0.000 1.014 1199 H CA 0.827 56.821 56.048 -0.090 0.000 1.454 1199 H CB -0.081 29.604 29.762 -0.128 0.000 1.472 1199 H HN 1.037 nan 8.280 nan 0.000 0.571 1200 G N 2.829 111.702 108.800 0.121 0.000 2.176 1200 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.253 1200 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.253 1200 G C -0.181 174.818 174.900 0.166 0.000 0.979 1200 G CA 0.187 45.347 45.100 0.100 0.000 0.641 1200 G HN 0.650 nan 8.290 nan 0.000 0.530 1201 S N 0.008 115.783 115.700 0.126 0.000 2.532 1201 S HA 0.819 5.289 4.470 -0.000 0.000 0.299 1201 S C 0.281 174.818 174.600 -0.106 0.000 1.105 1201 S CA 0.025 58.331 58.200 0.178 0.000 1.018 1201 S CB 2.067 65.413 63.200 0.243 0.000 1.021 1201 S HN 1.575 nan 8.310 nan 0.000 0.483 1202 A N 2.546 125.335 122.820 -0.053 0.000 2.371 1202 A HA 0.699 5.019 4.320 -0.000 0.000 0.257 1202 A C -0.375 177.118 177.584 -0.151 0.000 1.089 1202 A CA -0.331 51.649 52.037 -0.096 0.000 0.794 1202 A CB -0.104 18.916 19.000 0.032 0.000 1.029 1202 A HN 0.693 nan 8.150 nan 0.000 0.488 1203 F N 0.216 120.240 119.950 0.124 0.000 2.378 1203 F HA 0.460 4.987 4.527 -0.000 0.000 0.319 1203 F C 1.064 176.930 175.800 0.109 0.000 1.155 1203 F CA 0.337 58.411 58.000 0.125 0.000 1.157 1203 F CB 1.035 40.102 39.000 0.110 0.000 1.252 1203 F HN 0.715 nan 8.300 nan 0.000 0.550 1204 E N 1.569 121.975 120.200 0.342 0.000 2.321 1204 E HA 0.411 4.761 4.350 -0.000 0.000 0.278 1204 E C -1.992 174.712 176.600 0.173 0.000 0.902 1204 E CA -0.828 55.696 56.400 0.206 0.000 0.758 1204 E CB 1.794 31.576 29.700 0.138 0.000 1.213 1204 E HN 0.397 nan 8.360 nan 0.000 0.426 1205 L N 1.716 123.003 121.223 0.107 0.000 2.416 1205 L HA 0.647 4.987 4.340 -0.000 0.000 0.263 1205 L C 0.038 176.878 176.870 -0.049 0.000 1.065 1205 L CA -0.435 54.405 54.840 0.000 0.000 0.798 1205 L CB 1.261 43.294 42.059 -0.044 0.000 1.267 1205 L HN 0.922 nan 8.230 nan 0.000 0.467 1206 E N -0.317 119.719 120.200 -0.273 0.000 2.405 1206 E HA 0.350 4.700 4.350 -0.000 0.000 0.283 1206 E C -2.070 174.266 176.600 -0.441 0.000 1.140 1206 E CA -0.509 55.809 56.400 -0.137 0.000 0.904 1206 E CB 1.747 31.428 29.700 -0.032 0.000 1.209 1206 E HN 0.269 nan 8.360 nan 0.000 0.428 1207 F N 1.914 121.872 119.950 0.013 0.000 2.539 1207 F HA 0.388 4.915 4.527 -0.000 0.000 0.318 1207 F C 0.969 176.777 175.800 0.014 0.000 1.135 1207 F CA -0.922 57.079 58.000 0.001 0.000 0.915 1207 F CB 1.565 40.599 39.000 0.056 0.000 1.176 1207 F HN 0.168 nan 8.300 nan 0.000 0.440 1208 K N 1.177 121.653 120.400 0.127 0.000 2.551 1208 K HA 0.076 4.396 4.320 -0.000 0.000 0.192 1208 K C -0.545 176.133 176.600 0.128 0.000 1.027 1208 K CA 0.508 56.854 56.287 0.098 0.000 1.059 1208 K CB -0.228 32.298 32.500 0.045 0.000 0.831 1208 K HN 0.589 nan 8.250 nan 0.000 0.508 1209 D N -0.778 119.735 120.400 0.188 0.000 2.085 1209 D HA 0.083 4.722 4.640 -0.000 0.000 0.147 1209 D C -1.803 174.604 176.300 0.179 0.000 1.121 1209 D CA -0.315 53.784 54.000 0.164 0.000 0.941 1209 D CB -0.052 40.835 40.800 0.144 0.000 2.846 1209 D HN -0.080 nan 8.370 nan 0.000 0.517 1210 F N 3.999 123.982 119.950 0.055 0.000 2.540 1210 F HA 0.555 5.082 4.527 -0.000 0.000 0.317 1210 F C -1.006 174.850 175.800 0.093 0.000 1.104 1210 F CA -0.414 57.582 58.000 -0.006 0.000 0.913 1210 F CB 1.744 40.590 39.000 -0.256 0.000 1.170 1210 F HN 0.328 nan 8.300 nan 0.000 0.450 1211 H N 7.234 126.531 119.070 0.378 0.000 3.163 1211 H HA 0.527 5.082 4.556 -0.000 0.000 0.322 1211 H C -1.978 173.531 175.328 0.302 0.000 1.047 1211 H CA -0.304 55.927 56.048 0.305 0.000 1.418 1211 H CB 1.370 31.177 29.762 0.074 0.000 2.016 1211 H HN 0.762 nan 8.280 nan 0.000 0.454 1212 L N 1.870 123.036 121.223 -0.095 0.000 2.801 1212 L HA 0.245 4.585 4.340 -0.000 0.000 0.264 1212 L C -0.249 176.618 176.870 -0.006 0.000 1.086 1212 L CA -1.043 53.854 54.840 0.094 0.000 0.920 1212 L CB 2.171 44.413 42.059 0.304 0.000 1.529 1212 L HN 0.574 nan 8.230 nan 0.000 0.399 1213 E N 0.932 121.222 120.200 0.149 0.000 2.406 1213 E HA 0.019 4.369 4.350 -0.000 0.000 0.258 1213 E C -0.774 175.918 176.600 0.153 0.000 1.043 1213 E CA 0.040 56.532 56.400 0.153 0.000 0.929 1213 E CB 0.228 30.017 29.700 0.150 0.000 0.969 1213 E HN 0.287 nan 8.360 nan 0.000 0.462 1214 H N 3.357 122.468 119.070 0.069 0.000 2.897 1214 H HA -0.009 4.546 4.556 -0.000 0.000 0.347 1214 H C -0.793 174.625 175.328 0.150 0.000 1.068 1214 H CA 0.731 56.822 56.048 0.072 0.000 1.426 1214 H CB 0.388 30.186 29.762 0.059 0.000 1.410 1214 H HN 0.512 nan 8.280 nan 0.000 0.597 1215 H N 5.259 123.964 119.070 -0.608 0.000 3.128 1215 H HA 0.206 4.762 4.556 -0.000 0.000 0.336 1215 H C -2.892 172.180 175.328 -0.427 0.000 1.026 1215 H CA -2.011 53.785 56.048 -0.419 0.000 1.376 1215 H CB 1.435 31.095 29.762 -0.170 0.000 1.882 1215 H HN 0.590 nan 8.280 nan 0.000 0.479 1216 P HA -0.027 nan 4.420 nan 0.000 0.264 1216 P C 0.491 177.342 177.300 -0.748 0.000 1.183 1216 P CA 0.647 63.396 63.100 -0.586 0.000 0.763 1216 P CB 0.422 31.870 31.700 -0.419 0.000 0.807 1217 N N 0.731 119.211 118.700 -0.366 0.000 2.946 1217 N HA -0.222 4.518 4.740 -0.000 0.000 0.228 1217 N C -0.832 174.623 175.510 -0.091 0.000 0.873 1217 N CA 1.254 54.171 53.050 -0.221 0.000 1.029 1217 N CB -1.740 36.627 38.487 -0.199 0.000 1.047 1217 N HN 0.597 nan 8.380 nan 0.000 0.612 1218 c N -3.025 115.568 118.600 -0.013 0.000 0.180 1218 c HA -0.036 4.534 4.570 -0.000 0.000 0.020 1218 c C 1.182 175.400 174.090 0.213 0.000 0.174 1218 c CA 1.180 57.636 56.329 0.213 0.000 0.540 1218 c CB -1.451 41.079 42.510 0.034 0.000 3.209 1218 c HN 0.757 nan 8.230 nan 0.000 1.116 1219 T N 0.869 115.450 114.554 0.045 0.000 5.063 1219 T HA -0.011 4.339 4.350 -0.000 0.000 0.304 1219 T C 1.007 175.550 174.700 -0.262 0.000 1.004 1219 T CA 0.457 62.411 62.100 -0.243 0.000 0.503 1219 T CB -0.593 68.171 68.868 -0.173 0.000 0.746 1219 T HN 0.607 nan 8.240 nan 0.000 0.503 1220 L N 0.838 121.915 121.223 -0.244 0.000 1.960 1220 L HA 0.286 4.626 4.340 -0.000 0.000 0.209 1220 L C 0.090 177.031 176.870 0.117 0.000 1.090 1220 L CA 1.234 56.002 54.840 -0.118 0.000 0.759 1220 L CB -0.254 41.720 42.059 -0.141 0.000 0.892 1220 L HN 0.146 nan 8.230 nan 0.000 0.436 1221 D N -1.050 119.467 120.400 0.195 0.000 2.502 1221 D HA 0.497 5.137 4.640 -0.000 0.000 0.249 1221 D C -1.082 175.420 176.300 0.336 0.000 1.092 1221 D CA -0.271 53.905 54.000 0.293 0.000 0.839 1221 D CB 1.342 42.281 40.800 0.231 0.000 1.264 1221 D HN 0.199 nan 8.370 nan 0.000 0.511 1222 Y N -0.532 119.804 120.300 0.060 0.000 2.655 1222 Y HA 0.676 5.226 4.550 -0.000 0.000 0.336 1222 Y C -1.778 174.171 175.900 0.082 0.000 1.154 1222 Y CA -1.492 56.647 58.100 0.066 0.000 1.055 1222 Y CB 1.784 40.272 38.460 0.048 0.000 1.295 1222 Y HN 0.280 nan 8.280 nan 0.000 0.465 1223 L N 2.772 124.010 121.223 0.025 0.000 2.406 1223 L HA 0.769 5.108 4.340 -0.000 0.000 0.270 1223 L C -1.161 175.716 176.870 0.012 0.000 0.982 1223 L CA -0.758 54.044 54.840 -0.063 0.000 0.843 1223 L CB 1.371 43.407 42.059 -0.039 0.000 1.225 1223 L HN 1.017 nan 8.230 nan 0.000 0.412 1224 A N 4.793 127.632 122.820 0.031 0.000 2.260 1224 A HA 0.577 4.896 4.320 -0.000 0.000 0.308 1224 A C -0.646 176.943 177.584 0.009 0.000 1.254 1224 A CA -0.293 51.753 52.037 0.014 0.000 0.874 1224 A CB 1.519 20.561 19.000 0.069 0.000 1.153 1224 A HN 0.480 nan 8.150 nan 0.000 0.527 1225 V N 2.826 122.693 119.914 -0.078 0.000 2.837 1225 V HA 0.628 4.748 4.120 -0.000 0.000 0.310 1225 V C -1.315 174.704 176.094 -0.125 0.000 1.059 1225 V CA -0.229 62.083 62.300 0.020 0.000 1.004 1225 V CB 1.510 33.368 31.823 0.060 0.000 1.045 1225 V HN 0.764 nan 8.190 nan 0.000 0.465 1226 Y N 2.116 122.537 120.300 0.202 0.000 2.301 1226 Y HA 0.272 4.822 4.550 -0.000 0.000 0.325 1226 Y C -0.172 175.846 175.900 0.196 0.000 1.103 1226 Y CA -1.193 57.013 58.100 0.176 0.000 1.182 1226 Y CB 1.287 39.876 38.460 0.215 0.000 1.139 1226 Y HN 0.643 nan 8.280 nan 0.000 0.443 1227 D N 3.022 123.611 120.400 0.315 0.000 2.479 1227 D HA 0.398 5.038 4.640 -0.000 0.000 0.253 1227 D C 0.382 176.846 176.300 0.274 0.000 1.278 1227 D CA 1.696 55.870 54.000 0.290 0.000 1.145 1227 D CB -0.259 40.712 40.800 0.284 0.000 1.118 1227 D HN 0.856 nan 8.370 nan 0.000 0.513 1228 G N 3.151 112.123 108.800 0.287 0.000 2.347 1228 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.321 1228 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.321 1228 G C -2.470 172.549 174.900 0.198 0.000 1.412 1228 G CA -0.813 44.416 45.100 0.216 0.000 0.990 1228 G HN 0.064 nan 8.290 nan 0.000 0.637 1229 P HA 0.089 nan 4.420 nan 0.000 0.226 1229 P C 0.860 177.851 177.300 -0.515 0.000 1.153 1229 P CA 1.779 64.746 63.100 -0.220 0.000 0.777 1229 P CB 0.203 31.753 31.700 -0.250 0.000 0.794 1230 S N -3.555 111.840 115.700 -0.508 0.000 2.651 1230 S HA 0.353 4.822 4.470 -0.000 0.000 0.279 1230 S C 1.112 175.122 174.600 -0.984 0.000 1.148 1230 S CA -0.022 57.632 58.200 -0.910 0.000 0.837 1230 S CB 1.135 63.949 63.200 -0.644 0.000 1.138 1230 S HN -0.085 nan 8.310 nan 0.000 0.478 1231 S N 1.218 116.170 115.700 -1.246 0.000 2.419 1231 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 1231 S C 1.316 175.428 174.600 -0.814 0.000 1.019 1231 S CA 1.661 59.056 58.200 -1.342 0.000 0.982 1231 S CB -1.117 61.557 63.200 -0.876 0.000 0.789 1231 S HN 0.684 nan 8.310 nan 0.000 0.490 1232 N N 1.894 120.301 118.700 -0.488 0.000 2.192 1232 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 1232 N C 0.799 176.227 175.510 -0.136 0.000 1.013 1232 N CA 0.947 53.849 53.050 -0.247 0.000 0.863 1232 N CB -0.732 37.636 38.487 -0.198 0.000 0.990 1232 N HN 0.425 nan 8.380 nan 0.000 0.430 1233 S N 0.267 115.874 115.700 -0.154 0.000 2.587 1233 S HA -0.054 4.416 4.470 -0.000 0.000 0.260 1233 S C 0.312 175.042 174.600 0.216 0.000 1.353 1233 S CA -0.432 57.793 58.200 0.041 0.000 0.995 1233 S CB 0.382 63.621 63.200 0.064 0.000 0.912 1233 S HN 0.409 nan 8.310 nan 0.000 0.568 1234 H N 1.032 120.201 119.070 0.166 0.000 3.091 1234 H HA 0.194 4.750 4.556 -0.000 0.000 0.289 1234 H C -0.133 175.338 175.328 0.238 0.000 0.995 1234 H CA -0.465 55.688 56.048 0.175 0.000 1.461 1234 H CB -0.181 29.648 29.762 0.112 0.000 1.510 1234 H HN 0.367 nan 8.280 nan 0.000 0.546 1235 L N 6.370 127.417 121.223 -0.293 0.000 2.530 1235 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 1235 L C 0.072 176.573 176.870 -0.616 0.000 1.141 1235 L CA 0.398 54.961 54.840 -0.462 0.000 0.905 1235 L CB -0.124 41.713 42.059 -0.371 0.000 1.202 1235 L HN 0.893 nan 8.230 nan 0.000 0.473 1236 L N 3.625 124.640 121.223 -0.347 0.000 2.109 1236 L HA 0.068 4.408 4.340 -0.000 0.000 0.207 1236 L C 0.364 177.164 176.870 -0.116 0.000 1.086 1236 L CA 0.887 55.645 54.840 -0.137 0.000 0.760 1236 L CB -0.339 41.731 42.059 0.019 0.000 0.910 1236 L HN 0.801 nan 8.230 nan 0.000 0.437 1237 T N -2.213 112.244 114.554 -0.161 0.000 2.886 1237 T HA 0.250 4.600 4.350 -0.000 0.000 0.330 1237 T C -1.270 173.358 174.700 -0.120 0.000 1.488 1237 T CA -0.698 61.335 62.100 -0.112 0.000 1.054 1237 T CB 2.597 71.428 68.868 -0.062 0.000 1.348 1237 T HN -0.010 nan 8.240 nan 0.000 0.489 1238 Q N 1.323 121.081 119.800 -0.069 0.000 2.337 1238 Q HA 0.727 5.066 4.340 -0.000 0.000 0.270 1238 Q C -2.040 173.949 176.000 -0.017 0.000 1.043 1238 Q CA -0.919 54.886 55.803 0.005 0.000 0.794 1238 Q CB 1.169 29.941 28.738 0.058 0.000 1.281 1238 Q HN 0.426 nan 8.270 nan 0.000 0.446 1239 L N 3.548 124.765 121.223 -0.009 0.000 2.381 1239 L HA 0.717 5.056 4.340 -0.000 0.000 0.268 1239 L C -0.755 176.080 176.870 -0.059 0.000 0.997 1239 L CA -0.434 54.320 54.840 -0.143 0.000 0.818 1239 L CB 1.700 43.553 42.059 -0.342 0.000 1.310 1239 L HN 1.010 nan 8.230 nan 0.000 0.416 1240 c N -0.235 118.284 118.600 -0.135 0.000 3.320 1240 c HA 0.997 5.567 4.570 -0.000 0.000 0.335 1240 c C 0.347 174.389 174.090 -0.081 0.000 1.430 1240 c CA -0.307 56.016 56.329 -0.011 0.000 1.271 1240 c CB 1.099 43.669 42.510 0.101 0.000 1.609 1240 c HN 1.547 nan 8.230 nan 0.000 0.457 1241 G N 1.034 109.858 108.800 0.040 0.000 2.615 1241 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 1241 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 1241 G C -0.219 174.669 174.900 -0.020 0.000 1.339 1241 G CA 1.267 46.404 45.100 0.062 0.000 0.884 1241 G HN 1.837 nan 8.290 nan 0.000 0.559 1242 D N -0.238 120.161 120.400 -0.002 0.000 2.407 1242 D HA 0.320 4.960 4.640 -0.000 0.000 0.208 1242 D C 0.682 177.015 176.300 0.055 0.000 1.083 1242 D CA 0.849 54.885 54.000 0.060 0.000 0.844 1242 D CB 0.318 41.196 40.800 0.130 0.000 0.967 1242 D HN 0.469 nan 8.370 nan 0.000 0.506 1243 E N 1.070 121.232 120.200 -0.063 0.000 2.313 1243 E HA 0.155 4.505 4.350 -0.000 0.000 0.272 1243 E C -0.609 175.893 176.600 -0.164 0.000 1.038 1243 E CA -0.575 55.778 56.400 -0.080 0.000 0.863 1243 E CB 0.999 30.647 29.700 -0.086 0.000 1.060 1243 E HN 0.125 nan 8.360 nan 0.000 0.402 1244 K N 5.155 125.513 120.400 -0.070 0.000 2.267 1244 K HA 0.316 4.636 4.320 -0.000 0.000 0.282 1244 K C -2.122 174.423 176.600 -0.091 0.000 1.078 1244 K CA -1.583 54.670 56.287 -0.057 0.000 0.903 1244 K CB 0.346 32.880 32.500 0.057 0.000 1.111 1244 K HN 0.294 nan 8.250 nan 0.000 0.475 1245 P HA 0.041 nan 4.420 nan 0.000 0.270 1245 P C -2.571 174.745 177.300 0.026 0.000 1.216 1245 P CA -0.693 62.327 63.100 -0.134 0.000 0.788 1245 P CB -0.130 31.430 31.700 -0.234 0.000 0.883 1246 P HA 0.233 nan 4.420 nan 0.000 0.288 1246 P C -0.804 176.556 177.300 0.100 0.000 1.267 1246 P CA -0.728 62.407 63.100 0.058 0.000 0.815 1246 P CB 0.282 31.999 31.700 0.030 0.000 0.989 1247 L N 0.911 122.193 121.223 0.099 0.000 2.503 1247 L HA 0.187 4.527 4.340 -0.000 0.000 0.287 1247 L C -0.225 176.707 176.870 0.104 0.000 1.252 1247 L CA 0.752 55.658 54.840 0.109 0.000 0.835 1247 L CB -0.552 41.554 42.059 0.078 0.000 1.099 1247 L HN 0.260 nan 8.230 nan 0.000 0.516 1248 I N 2.175 122.813 120.570 0.115 0.000 2.555 1248 I HA 0.317 4.487 4.170 -0.000 0.000 0.275 1248 I C -0.003 176.184 176.117 0.116 0.000 1.082 1248 I CA -0.513 60.855 61.300 0.113 0.000 1.167 1248 I CB 0.701 38.781 38.000 0.134 0.000 1.312 1248 I HN 0.754 nan 8.210 nan 0.000 0.493 1249 R N 4.613 125.175 120.500 0.103 0.000 2.291 1249 R HA 0.179 4.519 4.340 -0.000 0.000 0.333 1249 R C 0.470 176.847 176.300 0.127 0.000 1.082 1249 R CA 0.051 56.217 56.100 0.111 0.000 0.948 1249 R CB 0.713 31.061 30.300 0.081 0.000 1.009 1249 R HN 0.641 nan 8.270 nan 0.000 0.460 1250 S N 2.435 118.234 115.700 0.165 0.000 2.560 1250 S HA -0.083 4.387 4.470 -0.000 0.000 0.276 1250 S C 1.097 175.782 174.600 0.143 0.000 1.350 1250 S CA 0.308 58.618 58.200 0.183 0.000 1.024 1250 S CB 0.791 64.140 63.200 0.249 0.000 0.864 1250 S HN 0.828 nan 8.310 nan 0.000 0.536 1251 S N 2.118 117.903 115.700 0.141 0.000 2.539 1251 S HA 0.433 4.903 4.470 -0.000 0.000 0.221 1251 S C 0.644 175.308 174.600 0.106 0.000 0.987 1251 S CA 0.134 58.398 58.200 0.106 0.000 0.929 1251 S CB -0.183 63.073 63.200 0.092 0.000 0.832 1251 S HN 1.097 nan 8.310 nan 0.000 0.492 1252 G N 0.142 109.021 108.800 0.132 0.000 2.798 1252 G HA2 0.448 4.408 3.960 -0.000 0.000 0.286 1252 G HA3 0.448 4.408 3.960 -0.000 0.000 0.286 1252 G C -0.329 174.641 174.900 0.117 0.000 1.389 1252 G CA -0.275 44.901 45.100 0.127 0.000 0.894 1252 G HN 0.018 nan 8.290 nan 0.000 0.488 1253 D N -0.093 120.374 120.400 0.111 0.000 2.230 1253 D HA -0.125 4.515 4.640 -0.000 0.000 0.189 1253 D C 1.606 178.009 176.300 0.171 0.000 1.006 1253 D CA 1.706 55.757 54.000 0.084 0.000 0.853 1253 D CB -0.151 40.728 40.800 0.131 0.000 0.959 1253 D HN 0.322 nan 8.370 nan 0.000 0.449 1254 S N -0.954 114.950 115.700 0.340 0.000 2.693 1254 S HA 0.519 4.989 4.470 -0.000 0.000 0.276 1254 S C 0.217 175.155 174.600 0.563 0.000 1.192 1254 S CA -0.730 57.811 58.200 0.567 0.000 0.994 1254 S CB 2.185 65.831 63.200 0.744 0.000 1.012 1254 S HN 0.349 nan 8.310 nan 0.000 0.550 1255 M N 2.121 122.076 119.600 0.592 0.000 2.284 1255 M HA 0.458 4.938 4.480 -0.000 0.000 0.281 1255 M C -2.316 174.263 176.300 0.465 0.000 1.083 1255 M CA -0.465 55.103 55.300 0.447 0.000 0.965 1255 M CB 1.250 34.053 32.600 0.339 0.000 1.717 1255 M HN 0.728 nan 8.290 nan 0.000 0.479 1256 F N 5.280 125.421 119.950 0.318 0.000 2.432 1256 F HA 0.818 5.345 4.527 -0.000 0.000 0.329 1256 F C -1.302 174.693 175.800 0.326 0.000 1.076 1256 F CA -0.408 57.767 58.000 0.293 0.000 1.018 1256 F CB 1.162 40.240 39.000 0.131 0.000 1.201 1256 F HN 0.510 nan 8.300 nan 0.000 0.489 1257 I N 4.850 125.302 120.570 -0.197 0.000 2.586 1257 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 1257 I C -1.250 175.011 176.117 0.240 0.000 1.147 1257 I CA -0.609 60.791 61.300 0.166 0.000 1.047 1257 I CB 2.066 40.165 38.000 0.166 0.000 1.244 1257 I HN 0.505 nan 8.210 nan 0.000 0.429 1258 K N 7.594 128.265 120.400 0.450 0.000 2.371 1258 K HA 0.845 5.165 4.320 -0.000 0.000 0.251 1258 K C -1.925 174.814 176.600 0.232 0.000 0.934 1258 K CA -0.700 55.903 56.287 0.525 0.000 0.798 1258 K CB 2.654 35.636 32.500 0.803 0.000 1.204 1258 K HN 0.657 nan 8.250 nan 0.000 0.427 1259 L N 2.800 124.083 121.223 0.100 0.000 2.431 1259 L HA 0.653 4.993 4.340 -0.000 0.000 0.266 1259 L C -1.592 175.130 176.870 -0.246 0.000 0.978 1259 L CA -0.658 54.093 54.840 -0.149 0.000 0.822 1259 L CB 2.011 44.093 42.059 0.037 0.000 1.310 1259 L HN 0.803 nan 8.230 nan 0.000 0.409 1260 R N 2.327 122.548 120.500 -0.465 0.000 2.686 1260 R HA 0.721 5.061 4.340 -0.000 0.000 0.283 1260 R C -1.570 174.738 176.300 0.013 0.000 0.978 1260 R CA -0.090 55.916 56.100 -0.157 0.000 0.897 1260 R CB 2.270 32.617 30.300 0.078 0.000 1.192 1260 R HN 0.870 nan 8.270 nan 0.000 0.457 1261 T N 0.013 114.630 114.554 0.106 0.000 2.848 1261 T HA 0.276 4.626 4.350 -0.000 0.000 0.285 1261 T C -0.464 174.369 174.700 0.223 0.000 0.995 1261 T CA -1.062 61.154 62.100 0.194 0.000 0.970 1261 T CB 1.598 70.618 68.868 0.254 0.000 0.976 1261 T HN 0.592 nan 8.240 nan 0.000 0.441 1262 D N 1.849 122.376 120.400 0.212 0.000 2.313 1262 D HA 0.120 4.760 4.640 -0.000 0.000 0.247 1262 D C 0.190 176.604 176.300 0.190 0.000 1.094 1262 D CA -0.603 53.497 54.000 0.167 0.000 0.925 1262 D CB 0.639 41.497 40.800 0.097 0.000 1.188 1262 D HN 0.626 nan 8.370 nan 0.000 0.430 1263 E N 0.544 120.846 120.200 0.170 0.000 2.534 1263 E HA 0.293 4.643 4.350 -0.000 0.000 0.264 1263 E C 1.004 177.602 176.600 -0.003 0.000 0.981 1263 E CA 0.453 56.916 56.400 0.104 0.000 0.948 1263 E CB -0.455 29.272 29.700 0.044 0.000 0.934 1263 E HN 0.861 nan 8.360 nan 0.000 0.459 1264 G N 1.591 110.331 108.800 -0.101 0.000 2.892 1264 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.686 1264 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.686 1264 G C -0.416 174.393 174.900 -0.152 0.000 1.244 1264 G CA 0.311 45.311 45.100 -0.167 0.000 0.947 1264 G HN 0.912 nan 8.290 nan 0.000 0.584 1265 Q N -0.793 118.769 119.800 -0.397 0.000 3.185 1265 Q HA 0.014 4.354 4.340 -0.000 0.000 0.034 1265 Q C -0.602 175.458 176.000 0.100 0.000 1.683 1265 Q CA 2.065 57.745 55.803 -0.205 0.000 0.263 1265 Q CB -0.338 28.346 28.738 -0.090 0.000 0.583 1265 Q HN 1.368 nan 8.270 nan 0.000 0.322 1266 Q N 1.695 121.591 119.800 0.161 0.000 2.280 1266 Q HA 0.693 5.032 4.340 -0.000 0.000 0.259 1266 Q C -0.166 175.777 176.000 -0.096 0.000 0.964 1266 Q CA 0.155 55.801 55.803 -0.262 0.000 0.844 1266 Q CB 2.098 30.530 28.738 -0.509 0.000 1.334 1266 Q HN 0.777 nan 8.270 nan 0.000 0.423 1267 G N 0.686 109.544 108.800 0.096 0.000 2.557 1267 G HA2 0.284 4.244 3.960 -0.000 0.000 0.292 1267 G HA3 0.284 4.244 3.960 -0.000 0.000 0.292 1267 G C 0.622 175.633 174.900 0.184 0.000 1.237 1267 G CA -0.340 44.970 45.100 0.350 0.000 0.978 1267 G HN 0.752 nan 8.290 nan 0.000 0.498 1268 R N -0.792 119.752 120.500 0.073 0.000 2.081 1268 R HA 0.325 4.665 4.340 -0.000 0.000 0.235 1268 R C 1.160 177.607 176.300 0.245 0.000 1.131 1268 R CA 1.264 57.368 56.100 0.007 0.000 0.960 1268 R CB -0.468 29.739 30.300 -0.154 0.000 0.856 1268 R HN 1.389 nan 8.270 nan 0.000 0.436 1269 G N -0.133 108.829 108.800 0.270 0.000 2.280 1269 G HA2 0.088 4.048 3.960 -0.000 0.000 0.277 1269 G HA3 0.088 4.048 3.960 -0.000 0.000 0.277 1269 G C -0.916 173.852 174.900 -0.220 0.000 1.288 1269 G CA -0.463 44.678 45.100 0.068 0.000 1.075 1269 G HN 0.439 nan 8.290 nan 0.000 0.480 1270 F N -0.993 118.569 119.950 -0.646 0.000 2.640 1270 F HA 0.947 5.474 4.527 -0.000 0.000 0.324 1270 F C -0.482 174.701 175.800 -1.029 0.000 1.077 1270 F CA -1.266 56.271 58.000 -0.772 0.000 0.965 1270 F CB 2.333 40.861 39.000 -0.786 0.000 1.351 1270 F HN 0.633 nan 8.300 nan 0.000 0.487 1271 K N 1.395 121.506 120.400 -0.481 0.000 2.507 1271 K HA 0.792 5.111 4.320 -0.000 0.000 0.251 1271 K C -1.957 174.484 176.600 -0.266 0.000 0.943 1271 K CA -0.933 55.050 56.287 -0.506 0.000 0.794 1271 K CB 1.965 34.240 32.500 -0.375 0.000 1.188 1271 K HN 1.079 nan 8.250 nan 0.000 0.428 1272 A N 4.086 126.640 122.820 -0.443 0.000 2.323 1272 A HA 0.267 4.587 4.320 -0.000 0.000 0.305 1272 A C -0.744 176.707 177.584 -0.222 0.000 1.275 1272 A CA -0.636 51.068 52.037 -0.555 0.000 0.804 1272 A CB 0.868 19.256 19.000 -1.020 0.000 1.152 1272 A HN 0.810 nan 8.150 nan 0.000 0.487 1273 E N 1.965 122.058 120.200 -0.179 0.000 2.338 1273 E HA 0.396 4.746 4.350 -0.000 0.000 0.272 1273 E C -1.424 175.164 176.600 -0.021 0.000 1.029 1273 E CA -0.073 56.272 56.400 -0.091 0.000 0.872 1273 E CB 0.625 30.271 29.700 -0.090 0.000 1.015 1273 E HN 0.661 nan 8.360 nan 0.000 0.417 1274 Y N 1.312 121.574 120.300 -0.064 0.000 2.396 1274 Y HA 0.544 5.093 4.550 -0.000 0.000 0.332 1274 Y C -1.237 174.667 175.900 0.007 0.000 1.034 1274 Y CA -1.154 56.919 58.100 -0.044 0.000 1.057 1274 Y CB 0.843 39.264 38.460 -0.065 0.000 1.220 1274 Y HN 0.317 nan 8.280 nan 0.000 0.440 1275 R N 2.263 122.817 120.500 0.090 0.000 2.828 1275 R HA 0.516 4.856 4.340 -0.000 0.000 0.264 1275 R C -1.228 175.235 176.300 0.271 0.000 1.022 1275 R CA -1.174 54.959 56.100 0.055 0.000 1.021 1275 R CB 1.729 32.044 30.300 0.025 0.000 1.163 1275 R HN 0.791 nan 8.270 nan 0.000 0.494 1276 Q N 0.973 120.920 119.800 0.246 0.000 2.307 1276 Q HA 0.295 4.635 4.340 -0.000 0.000 0.262 1276 Q C -0.954 175.095 176.000 0.081 0.000 0.961 1276 Q CA -0.420 55.521 55.803 0.229 0.000 0.882 1276 Q CB 1.554 30.399 28.738 0.180 0.000 1.264 1276 Q HN 0.648 nan 8.270 nan 0.000 0.446 1277 T N 1.015 115.594 114.554 0.043 0.000 2.862 1277 T HA 0.324 4.674 4.350 -0.000 0.000 0.276 1277 T C 0.392 175.076 174.700 -0.028 0.000 0.974 1277 T CA -0.559 61.545 62.100 0.006 0.000 0.966 1277 T CB 1.167 70.034 68.868 -0.001 0.000 1.072 1277 T HN 0.890 nan 8.240 nan 0.000 0.538 1278 c N -0.989 117.544 118.600 -0.111 0.000 3.981 1278 c HA 0.420 4.990 4.570 -0.000 0.000 0.306 1278 c C 0.094 173.931 174.090 -0.421 0.000 2.005 1278 c CA -0.543 55.604 56.329 -0.304 0.000 1.655 1278 c CB -1.168 41.127 42.510 -0.359 0.000 3.164 1278 c HN 0.885 nan 8.230 nan 0.000 0.554 1279 E N 2.184 122.248 120.200 -0.226 0.000 2.105 1279 E HA 0.337 4.687 4.350 -0.000 0.000 0.285 1279 E C -0.229 176.274 176.600 -0.162 0.000 1.055 1279 E CA 0.042 56.322 56.400 -0.199 0.000 0.843 1279 E CB 0.054 29.688 29.700 -0.110 0.000 1.067 1279 E HN 0.595 nan 8.360 nan 0.000 0.398 1280 N N 1.323 119.909 118.700 -0.190 0.000 2.815 1280 N HA -0.182 4.557 4.740 -0.000 0.000 0.248 1280 N C -0.369 175.089 175.510 -0.087 0.000 1.110 1280 N CA 0.381 53.359 53.050 -0.121 0.000 0.699 1280 N CB -1.185 37.253 38.487 -0.082 0.000 1.040 1280 N HN 0.263 nan 8.380 nan 0.000 0.555 1281 V N -2.916 116.934 119.914 -0.107 0.000 3.083 1281 V HA 0.775 4.895 4.120 -0.000 0.000 0.306 1281 V C 0.766 176.877 176.094 0.029 0.000 1.077 1281 V CA -0.451 61.840 62.300 -0.014 0.000 1.073 1281 V CB 2.002 33.855 31.823 0.051 0.000 1.081 1281 V HN -0.091 nan 8.190 nan 0.000 0.474 1282 V N 3.967 123.904 119.914 0.039 0.000 2.612 1282 V HA 0.378 4.498 4.120 -0.000 0.000 0.301 1282 V C -0.565 175.540 176.094 0.017 0.000 1.059 1282 V CA -0.421 61.891 62.300 0.019 0.000 0.886 1282 V CB 1.775 33.602 31.823 0.006 0.000 1.007 1282 V HN 0.793 nan 8.190 nan 0.000 0.426 1283 I N 6.506 127.060 120.570 -0.027 0.000 2.308 1283 I HA 0.143 4.313 4.170 -0.000 0.000 0.293 1283 I C 1.408 177.514 176.117 -0.018 0.000 1.078 1283 I CA 0.242 61.526 61.300 -0.028 0.000 1.292 1283 I CB 0.812 38.727 38.000 -0.142 0.000 1.423 1283 I HN 0.490 nan 8.210 nan 0.000 0.493 1284 V N 3.887 123.812 119.914 0.018 0.000 2.379 1284 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 1284 V C 0.572 176.685 176.094 0.032 0.000 1.044 1284 V CA 1.067 63.377 62.300 0.018 0.000 1.036 1284 V CB -1.152 30.684 31.823 0.021 0.000 0.664 1284 V HN 0.938 nan 8.190 nan 0.000 0.453 1285 N N -0.691 118.043 118.700 0.056 0.000 2.493 1285 N HA 0.528 5.268 4.740 -0.000 0.000 0.279 1285 N C -1.302 174.279 175.510 0.118 0.000 1.082 1285 N CA -0.574 52.524 53.050 0.080 0.000 0.963 1285 N CB 1.571 40.097 38.487 0.063 0.000 1.627 1285 N HN 0.373 nan 8.380 nan 0.000 0.499 1286 Q N 0.940 120.844 119.800 0.174 0.000 2.443 1286 Q HA 0.242 4.582 4.340 -0.000 0.000 0.258 1286 Q C -0.211 175.961 176.000 0.287 0.000 0.967 1286 Q CA -0.583 55.349 55.803 0.214 0.000 0.951 1286 Q CB 1.832 30.746 28.738 0.293 0.000 1.459 1286 Q HN 0.784 nan 8.270 nan 0.000 0.415 1287 T N 0.642 115.345 114.554 0.249 0.000 2.652 1287 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 1287 T C 0.594 175.518 174.700 0.373 0.000 1.039 1287 T CA 1.897 64.183 62.100 0.310 0.000 1.153 1287 T CB -0.341 68.730 68.868 0.339 0.000 0.863 1287 T HN 0.634 nan 8.240 nan 0.000 0.428 1288 Y N -0.766 119.488 120.300 -0.076 0.000 2.715 1288 Y HA 0.760 5.310 4.550 -0.000 0.000 0.331 1288 Y C -0.031 175.213 175.900 -1.093 0.000 1.197 1288 Y CA -1.234 56.561 58.100 -0.509 0.000 1.079 1288 Y CB 1.291 39.519 38.460 -0.388 0.000 1.298 1288 Y HN 0.306 nan 8.280 nan 0.000 0.477 1289 G N 0.342 107.977 108.800 -1.943 0.000 2.317 1289 G HA2 0.411 4.370 3.960 -0.000 0.000 0.293 1289 G HA3 0.411 4.370 3.960 -0.000 0.000 0.293 1289 G C -2.569 171.333 174.900 -1.663 0.000 1.287 1289 G CA -0.891 42.941 45.100 -2.113 0.000 0.850 1289 G HN 0.521 nan 8.290 nan 0.000 0.515 1290 I N 0.392 120.370 120.570 -0.986 0.000 2.646 1290 I HA 0.562 4.732 4.170 -0.000 0.000 0.299 1290 I C -0.362 175.814 176.117 0.098 0.000 1.036 1290 I CA -1.059 60.048 61.300 -0.322 0.000 1.074 1290 I CB 1.626 39.511 38.000 -0.192 0.000 1.258 1290 I HN 0.417 nan 8.210 nan 0.000 0.430 1291 L N 5.475 126.724 121.223 0.043 0.000 2.316 1291 L HA 0.422 4.761 4.340 -0.000 0.000 0.280 1291 L C -0.342 176.225 176.870 -0.506 0.000 1.006 1291 L CA -0.377 54.365 54.840 -0.163 0.000 0.836 1291 L CB 1.268 43.250 42.059 -0.127 0.000 1.221 1291 L HN 0.704 nan 8.230 nan 0.000 0.418 1292 E N 2.501 122.330 120.200 -0.618 0.000 2.248 1292 E HA 0.377 4.727 4.350 -0.000 0.000 0.267 1292 E C -0.691 175.491 176.600 -0.696 0.000 0.877 1292 E CA -0.842 55.030 56.400 -0.880 0.000 0.759 1292 E CB 1.882 31.233 29.700 -0.582 0.000 1.182 1292 E HN 0.470 nan 8.360 nan 0.000 0.418 1293 S N 3.672 118.878 115.700 -0.823 0.000 2.515 1293 S HA 0.006 4.476 4.470 -0.000 0.000 0.285 1293 S C 1.633 176.257 174.600 0.039 0.000 1.265 1293 S CA -0.168 57.945 58.200 -0.144 0.000 1.079 1293 S CB -0.413 62.795 63.200 0.015 0.000 0.877 1293 S HN 0.690 nan 8.310 nan 0.000 0.493 1294 I N 2.368 123.023 120.570 0.142 0.000 2.203 1294 I HA -0.250 3.920 4.170 -0.000 0.000 0.237 1294 I C 2.347 178.503 176.117 0.066 0.000 0.993 1294 I CA 2.049 63.409 61.300 0.099 0.000 1.277 1294 I CB -1.645 36.421 38.000 0.110 0.000 0.984 1294 I HN 0.664 nan 8.210 nan 0.000 0.402 1295 G N -0.542 108.305 108.800 0.077 0.000 2.475 1295 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 1295 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 1295 G C 0.736 175.655 174.900 0.031 0.000 1.125 1295 G CA 0.614 45.737 45.100 0.038 0.000 0.755 1295 G HN 0.586 nan 8.290 nan 0.000 0.565 1296 Y N 1.988 122.243 120.300 -0.075 0.000 3.032 1296 Y HA 0.052 4.602 4.550 -0.000 0.000 0.344 1296 Y C -1.141 174.695 175.900 -0.107 0.000 1.273 1296 Y CA -0.899 57.140 58.100 -0.100 0.000 1.588 1296 Y CB 1.020 39.373 38.460 -0.177 0.000 1.209 1296 Y HN 0.055 nan 8.280 nan 0.000 0.597 1297 P HA 0.013 nan 4.420 nan 0.000 0.255 1297 P C -0.918 176.048 177.300 -0.557 0.000 1.301 1297 P CA 0.293 62.745 63.100 -1.080 0.000 0.817 1297 P CB 0.097 31.375 31.700 -0.704 0.000 1.259 1298 N N 2.173 120.715 118.700 -0.264 0.000 2.492 1298 N HA 0.069 4.809 4.740 -0.000 0.000 0.260 1298 N C -2.201 173.222 175.510 -0.145 0.000 1.215 1298 N CA -1.351 51.596 53.050 -0.172 0.000 0.923 1298 N CB -0.312 38.116 38.487 -0.098 0.000 1.092 1298 N HN 0.178 nan 8.380 nan 0.000 0.448 1299 P HA -0.047 nan 4.420 nan 0.000 0.267 1299 P C -0.668 176.547 177.300 -0.142 0.000 1.200 1299 P CA 0.167 63.161 63.100 -0.178 0.000 0.772 1299 P CB 0.078 31.645 31.700 -0.221 0.000 0.855 1300 Y N -0.358 119.932 120.300 -0.017 0.000 2.309 1300 Y HA 0.368 4.918 4.550 -0.000 0.000 0.327 1300 Y C 0.571 176.467 175.900 -0.008 0.000 1.172 1300 Y CA -1.293 56.810 58.100 0.006 0.000 1.280 1300 Y CB -0.351 38.136 38.460 0.045 0.000 1.234 1300 Y HN 0.272 nan 8.280 nan 0.000 0.512 1301 S N 1.244 117.039 115.700 0.158 0.000 2.560 1301 S HA 0.084 4.553 4.470 -0.000 0.000 0.284 1301 S C -0.404 174.250 174.600 0.089 0.000 1.327 1301 S CA -0.880 57.360 58.200 0.068 0.000 1.055 1301 S CB 0.304 63.532 63.200 0.046 0.000 0.868 1301 S HN 0.686 nan 8.310 nan 0.000 0.506 1302 E N 1.758 121.971 120.200 0.022 0.000 2.392 1302 E HA 0.230 4.580 4.350 -0.000 0.000 0.264 1302 E C 0.091 176.681 176.600 -0.017 0.000 1.024 1302 E CA 0.045 56.452 56.400 0.013 0.000 0.903 1302 E CB 0.097 29.788 29.700 -0.015 0.000 0.963 1302 E HN 0.593 nan 8.360 nan 0.000 0.432 1303 N N 1.806 120.474 118.700 -0.054 0.000 2.862 1303 N HA -0.171 4.569 4.740 -0.000 0.000 0.246 1303 N C -1.332 174.036 175.510 -0.237 0.000 1.111 1303 N CA 0.565 53.536 53.050 -0.131 0.000 0.688 1303 N CB -1.153 37.296 38.487 -0.064 0.000 1.018 1303 N HN 0.514 nan 8.380 nan 0.000 0.556 1304 Q N 0.342 119.984 119.800 -0.263 0.000 2.271 1304 Q HA 0.291 4.631 4.340 -0.000 0.000 0.258 1304 Q C -0.256 175.462 176.000 -0.470 0.000 0.936 1304 Q CA -0.333 55.308 55.803 -0.271 0.000 0.909 1304 Q CB 1.463 30.129 28.738 -0.120 0.000 1.253 1304 Q HN 0.290 nan 8.270 nan 0.000 0.440 1305 H N 1.572 120.579 119.070 -0.104 0.000 2.643 1305 H HA 0.240 4.796 4.556 -0.000 0.000 0.259 1305 H C -0.676 174.540 175.328 -0.187 0.000 1.298 1305 H CA -0.397 55.577 56.048 -0.125 0.000 1.301 1305 H CB 0.313 30.018 29.762 -0.095 0.000 1.422 1305 H HN 0.514 nan 8.280 nan 0.000 0.521 1306 c N 2.990 121.486 118.600 -0.174 0.000 2.330 1306 c HA 0.247 4.817 4.570 -0.000 0.000 0.344 1306 c C 0.955 174.790 174.090 -0.424 0.000 1.273 1306 c CA -0.509 55.565 56.329 -0.425 0.000 1.879 1306 c CB 0.135 42.325 42.510 -0.533 0.000 2.376 1306 c HN 0.771 nan 8.230 nan 0.000 0.534 1307 N N 3.393 121.746 118.700 -0.577 0.000 2.640 1307 N HA 0.213 4.953 4.740 -0.000 0.000 0.262 1307 N C -1.116 174.212 175.510 -0.304 0.000 1.174 1307 N CA -0.264 52.606 53.050 -0.299 0.000 0.791 1307 N CB 0.628 39.012 38.487 -0.173 0.000 1.279 1307 N HN 0.746 nan 8.380 nan 0.000 0.535 1308 W N 1.605 122.906 121.300 0.001 0.000 2.436 1308 W HA 0.466 5.126 4.660 -0.000 0.000 0.347 1308 W C -0.189 176.299 176.519 -0.051 0.000 1.136 1308 W CA -0.489 56.839 57.345 -0.030 0.000 1.286 1308 W CB 1.653 31.094 29.460 -0.032 0.000 1.253 1308 W HN 0.232 nan 8.180 nan 0.000 0.617 1309 T N 1.313 115.953 114.554 0.145 0.000 3.170 1309 T HA 0.406 4.756 4.350 -0.000 0.000 0.315 1309 T C -0.640 174.027 174.700 -0.055 0.000 0.967 1309 T CA -0.613 61.509 62.100 0.036 0.000 1.024 1309 T CB 0.916 69.792 68.868 0.014 0.000 1.018 1309 T HN 0.147 nan 8.240 nan 0.000 0.449 1310 I N 2.994 123.476 120.570 -0.147 0.000 2.342 1310 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 1310 I C 0.554 176.583 176.117 -0.147 0.000 1.010 1310 I CA -0.671 60.460 61.300 -0.281 0.000 1.308 1310 I CB 1.096 38.732 38.000 -0.606 0.000 1.400 1310 I HN 0.318 nan 8.210 nan 0.000 0.488 1311 R N 4.803 125.245 120.500 -0.097 0.000 2.343 1311 R HA 0.598 4.938 4.340 -0.000 0.000 0.320 1311 R C -0.545 175.750 176.300 -0.009 0.000 0.956 1311 R CA -0.676 55.402 56.100 -0.037 0.000 0.836 1311 R CB 1.914 32.204 30.300 -0.017 0.000 1.151 1311 R HN 0.737 nan 8.270 nan 0.000 0.450 1312 A N 2.793 125.617 122.820 0.006 0.000 2.302 1312 A HA 0.187 4.507 4.320 -0.000 0.000 0.295 1312 A C 0.537 178.140 177.584 0.031 0.000 1.235 1312 A CA -0.502 51.555 52.037 0.033 0.000 0.876 1312 A CB 0.182 19.204 19.000 0.037 0.000 1.133 1312 A HN 0.793 nan 8.150 nan 0.000 0.533 1313 T N 1.985 116.562 114.554 0.039 0.000 2.934 1313 T HA 0.359 4.709 4.350 -0.000 0.000 0.321 1313 T C 1.004 175.720 174.700 0.026 0.000 1.080 1313 T CA 0.552 62.671 62.100 0.032 0.000 1.132 1313 T CB -0.304 68.587 68.868 0.038 0.000 1.039 1313 T HN 1.617 nan 8.240 nan 0.000 0.543 1314 T N 2.311 116.877 114.554 0.020 0.000 14.133 1314 T HA -0.203 4.147 4.350 -0.000 0.000 0.419 1314 T C 0.988 175.697 174.700 0.014 0.000 1.441 1314 T CA 0.978 63.088 62.100 0.016 0.000 2.333 1314 T CB -1.717 67.161 68.868 0.016 0.000 2.760 1314 T HN 1.682 nan 8.240 nan 0.000 0.272 1315 G N 2.164 110.972 108.800 0.013 0.000 4.222 1315 G HA2 0.475 4.435 3.960 -0.000 0.000 0.301 1315 G HA3 0.475 4.435 3.960 -0.000 0.000 0.301 1315 G C 0.086 174.993 174.900 0.011 0.000 1.171 1315 G CA -0.220 44.887 45.100 0.011 0.000 0.937 1315 G HN 0.522 nan 8.290 nan 0.000 0.557 1316 N N 0.653 119.363 118.700 0.016 0.000 2.514 1316 N HA 0.573 5.313 4.740 -0.000 0.000 0.299 1316 N C 0.809 176.328 175.510 0.015 0.000 1.292 1316 N CA 0.038 53.098 53.050 0.017 0.000 0.963 1316 N CB 0.776 39.281 38.487 0.029 0.000 1.124 1316 N HN 0.318 nan 8.380 nan 0.000 0.580 1317 T N -3.748 110.816 114.554 0.017 0.000 2.590 1317 T HA 0.707 5.056 4.350 -0.000 0.000 0.282 1317 T C -1.122 173.591 174.700 0.021 0.000 0.989 1317 T CA -0.657 61.447 62.100 0.006 0.000 1.091 1317 T CB 0.520 69.381 68.868 -0.012 0.000 1.460 1317 T HN 0.103 nan 8.240 nan 0.000 0.499 1318 V N 1.942 121.844 119.914 -0.020 0.000 2.567 1318 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 1318 V C -1.091 174.925 176.094 -0.130 0.000 1.047 1318 V CA -1.129 61.165 62.300 -0.010 0.000 0.880 1318 V CB 1.312 33.099 31.823 -0.060 0.000 1.009 1318 V HN 0.856 nan 8.190 nan 0.000 0.429 1319 N N 2.836 121.581 118.700 0.074 0.000 2.525 1319 N HA 0.519 5.259 4.740 -0.000 0.000 0.271 1319 N C -0.801 174.688 175.510 -0.035 0.000 1.194 1319 N CA -0.117 52.974 53.050 0.069 0.000 0.964 1319 N CB 0.585 39.306 38.487 0.390 0.000 1.126 1319 N HN 0.543 nan 8.380 nan 0.000 0.452 1320 Y N -0.292 120.098 120.300 0.149 0.000 2.488 1320 Y HA 0.613 5.163 4.550 -0.000 0.000 0.325 1320 Y C 0.483 176.407 175.900 0.041 0.000 1.204 1320 Y CA -0.591 57.535 58.100 0.044 0.000 1.229 1320 Y CB 1.317 39.803 38.460 0.042 0.000 1.274 1320 Y HN 0.322 nan 8.280 nan 0.000 0.493 1321 T N 0.926 115.562 114.554 0.138 0.000 3.225 1321 T HA 0.408 4.758 4.350 -0.000 0.000 0.356 1321 T C -1.362 173.320 174.700 -0.031 0.000 1.460 1321 T CA -0.915 61.256 62.100 0.119 0.000 1.126 1321 T CB 0.715 69.631 68.868 0.081 0.000 1.321 1321 T HN 0.243 nan 8.240 nan 0.000 0.478 1322 F N 1.255 121.248 119.950 0.071 0.000 2.440 1322 F HA 0.643 5.170 4.527 -0.000 0.000 0.328 1322 F C 0.727 176.574 175.800 0.078 0.000 1.070 1322 F CA -0.713 57.335 58.000 0.081 0.000 1.011 1322 F CB 1.304 40.357 39.000 0.089 0.000 1.226 1322 F HN 0.411 nan 8.300 nan 0.000 0.491 1323 L N 1.365 122.754 121.223 0.278 0.000 2.806 1323 L HA 0.497 4.837 4.340 -0.000 0.000 0.242 1323 L C 0.005 176.987 176.870 0.187 0.000 1.068 1323 L CA 0.228 55.164 54.840 0.159 0.000 0.923 1323 L CB 0.290 42.376 42.059 0.045 0.000 1.364 1323 L HN 0.577 nan 8.230 nan 0.000 0.511 1324 A N -0.662 122.304 122.820 0.244 0.000 2.520 1324 A HA 0.736 5.055 4.320 -0.000 0.000 0.298 1324 A C -1.888 175.933 177.584 0.396 0.000 1.051 1324 A CA -0.262 51.935 52.037 0.266 0.000 0.690 1324 A CB 1.466 20.589 19.000 0.206 0.000 1.281 1324 A HN -0.062 nan 8.150 nan 0.000 0.402 1325 F N 1.134 121.216 119.950 0.220 0.000 2.615 1325 F HA 0.609 5.136 4.527 -0.000 0.000 0.312 1325 F C -1.353 174.559 175.800 0.187 0.000 1.119 1325 F CA -0.027 58.091 58.000 0.197 0.000 0.979 1325 F CB 2.288 41.314 39.000 0.045 0.000 1.266 1325 F HN 0.567 nan 8.300 nan 0.000 0.444 1326 D N 5.714 126.219 120.400 0.175 0.000 2.684 1326 D HA 0.266 4.906 4.640 -0.000 0.000 0.233 1326 D C -1.742 174.692 176.300 0.224 0.000 1.374 1326 D CA 0.037 54.188 54.000 0.252 0.000 0.906 1326 D CB 0.374 41.304 40.800 0.217 0.000 1.526 1326 D HN 0.405 nan 8.370 nan 0.000 0.518 1327 L N 0.798 122.173 121.223 0.253 0.000 2.335 1327 L HA 0.549 4.889 4.340 -0.000 0.000 0.268 1327 L C 1.384 178.428 176.870 0.291 0.000 1.016 1327 L CA -1.053 53.953 54.840 0.277 0.000 0.805 1327 L CB 1.198 43.364 42.059 0.177 0.000 1.311 1327 L HN 0.187 nan 8.230 nan 0.000 0.456 1328 E N -0.337 120.039 120.200 0.294 0.000 2.563 1328 E HA -0.019 4.331 4.350 -0.000 0.000 0.260 1328 E C -0.716 176.024 176.600 0.233 0.000 1.391 1328 E CA 0.142 56.683 56.400 0.234 0.000 1.079 1328 E CB 0.290 30.110 29.700 0.199 0.000 0.984 1328 E HN 0.335 nan 8.360 nan 0.000 0.563 1329 H N -0.469 118.689 119.070 0.146 0.000 2.572 1329 H HA 0.115 4.671 4.556 -0.000 0.000 0.359 1329 H C 0.354 175.786 175.328 0.173 0.000 1.134 1329 H CA -0.444 55.697 56.048 0.155 0.000 1.187 1329 H CB 0.859 30.700 29.762 0.131 0.000 1.597 1329 H HN 0.649 nan 8.280 nan 0.000 0.524 1330 H N 3.315 122.351 119.070 -0.057 0.000 1.452 1330 H HA -0.304 4.252 4.556 -0.000 0.000 0.090 1330 H C 0.812 176.193 175.328 0.089 0.000 1.657 1330 H CA 2.300 58.392 56.048 0.073 0.000 1.901 1330 H CB -0.502 29.435 29.762 0.291 0.000 2.257 1330 H HN 0.692 nan 8.280 nan 0.000 0.961 1331 I N 0.066 120.164 120.570 -0.786 0.000 6.521 1331 I HA -0.327 3.843 4.170 -0.000 0.000 0.126 1331 I C 0.384 176.146 176.117 -0.591 0.000 1.822 1331 I CA 1.530 62.371 61.300 -0.765 0.000 2.063 1331 I CB -2.365 35.493 38.000 -0.235 0.000 3.493 1331 I HN 0.774 nan 8.210 nan 0.000 0.177 1332 N N -0.701 117.555 118.700 -0.741 0.000 2.740 1332 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 1332 N C 0.776 176.261 175.510 -0.043 0.000 1.062 1332 N CA 1.149 54.174 53.050 -0.041 0.000 0.704 1332 N CB -1.489 36.966 38.487 -0.053 0.000 0.968 1332 N HN 0.725 nan 8.380 nan 0.000 0.547 1333 c N -0.409 118.200 118.600 0.014 0.000 3.744 1333 c HA -0.195 4.375 4.570 -0.000 0.000 0.290 1333 c C 1.783 175.909 174.090 0.059 0.000 1.385 1333 c CA 1.062 57.410 56.329 0.031 0.000 2.099 1333 c CB -2.530 39.969 42.510 -0.017 0.000 1.359 1333 c HN 0.780 nan 8.230 nan 0.000 0.629 1334 S N -2.478 113.253 115.700 0.052 0.000 2.523 1334 S HA 0.037 4.507 4.470 -0.000 0.000 0.217 1334 S C 1.237 175.922 174.600 0.141 0.000 0.996 1334 S CA 0.899 59.159 58.200 0.100 0.000 0.921 1334 S CB 0.190 63.397 63.200 0.012 0.000 0.829 1334 S HN 0.750 nan 8.310 nan 0.000 0.495 1335 T N 1.545 116.170 114.554 0.118 0.000 2.697 1335 T HA 0.107 4.457 4.350 -0.000 0.000 0.244 1335 T C -0.261 174.503 174.700 0.108 0.000 1.090 1335 T CA 0.984 63.145 62.100 0.102 0.000 1.255 1335 T CB -0.445 68.477 68.868 0.091 0.000 0.931 1335 T HN 0.308 nan 8.240 nan 0.000 0.406 1336 D N 0.342 120.817 120.400 0.124 0.000 2.248 1336 D HA 0.562 5.202 4.640 -0.000 0.000 0.246 1336 D C -0.932 175.450 176.300 0.136 0.000 1.027 1336 D CA -0.240 53.796 54.000 0.059 0.000 0.853 1336 D CB 1.654 42.528 40.800 0.124 0.000 1.243 1336 D HN 0.618 nan 8.370 nan 0.000 0.462 1337 Y N -0.480 119.833 120.300 0.022 0.000 2.764 1337 Y HA 0.664 5.214 4.550 -0.000 0.000 0.331 1337 Y C -2.164 173.751 175.900 0.025 0.000 1.280 1337 Y CA -1.409 56.716 58.100 0.043 0.000 1.065 1337 Y CB 1.201 39.694 38.460 0.054 0.000 1.319 1337 Y HN 0.292 nan 8.280 nan 0.000 0.453 1338 L N 1.313 122.799 121.223 0.437 0.000 2.438 1338 L HA 0.679 5.019 4.340 -0.000 0.000 0.270 1338 L C -1.470 175.604 176.870 0.340 0.000 0.972 1338 L CA -0.349 54.653 54.840 0.271 0.000 0.831 1338 L CB 2.245 44.322 42.059 0.031 0.000 1.273 1338 L HN 0.890 nan 8.230 nan 0.000 0.405 1339 E N 4.241 124.627 120.200 0.309 0.000 2.235 1339 E HA 0.641 4.991 4.350 -0.000 0.000 0.265 1339 E C -1.370 175.301 176.600 0.118 0.000 0.940 1339 E CA -0.778 55.750 56.400 0.214 0.000 0.819 1339 E CB 2.521 32.392 29.700 0.284 0.000 1.206 1339 E HN 0.522 nan 8.360 nan 0.000 0.409 1340 L N 2.136 123.339 121.223 -0.032 0.000 2.354 1340 L HA 0.538 4.878 4.340 -0.000 0.000 0.269 1340 L C -1.316 175.447 176.870 -0.177 0.000 1.005 1340 L CA -0.891 53.921 54.840 -0.045 0.000 0.819 1340 L CB 1.126 43.085 42.059 -0.166 0.000 1.311 1340 L HN 0.557 nan 8.230 nan 0.000 0.423 1341 Y N 0.062 120.428 120.300 0.110 0.000 2.457 1341 Y HA 0.253 4.802 4.550 -0.000 0.000 0.343 1341 Y C -0.413 175.565 175.900 0.130 0.000 0.994 1341 Y CA -0.816 57.349 58.100 0.109 0.000 1.031 1341 Y CB 2.179 40.688 38.460 0.082 0.000 1.246 1341 Y HN 0.389 nan 8.280 nan 0.000 0.449 1342 D N 2.626 123.175 120.400 0.248 0.000 2.485 1342 D HA 0.389 5.029 4.640 -0.000 0.000 0.221 1342 D C 0.817 177.215 176.300 0.164 0.000 1.112 1342 D CA 1.157 55.263 54.000 0.176 0.000 0.911 1342 D CB 0.441 41.316 40.800 0.124 0.000 1.019 1342 D HN 0.872 nan 8.370 nan 0.000 0.516 1343 G N 5.596 114.481 108.800 0.143 0.000 2.634 1343 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.318 1343 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.318 1343 G C -1.426 173.554 174.900 0.132 0.000 1.207 1343 G CA 0.321 45.482 45.100 0.103 0.000 0.987 1343 G HN 0.491 nan 8.290 nan 0.000 0.547 1344 P HA 0.165 nan 4.420 nan 0.000 0.230 1344 P C 0.823 178.283 177.300 0.266 0.000 1.168 1344 P CA 1.162 64.338 63.100 0.127 0.000 0.793 1344 P CB 0.050 31.795 31.700 0.075 0.000 0.851 1345 R N 0.920 121.560 120.500 0.233 0.000 2.340 1345 R HA 0.262 4.602 4.340 -0.000 0.000 0.300 1345 R C 0.014 176.390 176.300 0.127 0.000 1.069 1345 R CA -0.501 55.706 56.100 0.178 0.000 0.984 1345 R CB 0.406 30.762 30.300 0.094 0.000 1.003 1345 R HN -0.011 nan 8.270 nan 0.000 0.459 1346 Q N 4.246 124.012 119.800 -0.057 0.000 2.288 1346 Q HA 0.109 4.449 4.340 -0.000 0.000 0.258 1346 Q C 0.089 175.954 176.000 -0.225 0.000 0.957 1346 Q CA -0.270 55.244 55.803 -0.481 0.000 0.919 1346 Q CB 1.185 29.631 28.738 -0.486 0.000 1.185 1346 Q HN 0.882 nan 8.270 nan 0.000 0.408 1347 M N 2.333 121.812 119.600 -0.201 0.000 2.465 1347 M HA 0.371 4.850 4.480 -0.000 0.000 0.249 1347 M C 0.565 176.870 176.300 0.008 0.000 1.130 1347 M CA 0.331 55.610 55.300 -0.035 0.000 1.067 1347 M CB 0.896 33.535 32.600 0.066 0.000 1.394 1347 M HN 0.725 nan 8.290 nan 0.000 0.483 1348 G N 1.101 109.881 108.800 -0.033 0.000 2.339 1348 G HA2 0.390 4.350 3.960 -0.000 0.000 0.302 1348 G HA3 0.390 4.350 3.960 -0.000 0.000 0.302 1348 G C -2.049 172.890 174.900 0.064 0.000 1.425 1348 G CA -1.075 44.035 45.100 0.017 0.000 0.899 1348 G HN 0.179 nan 8.290 nan 0.000 0.619 1349 R N -0.023 120.364 120.500 -0.189 0.000 2.502 1349 R HA 0.710 5.050 4.340 -0.000 0.000 0.300 1349 R C -1.529 174.626 176.300 -0.241 0.000 0.984 1349 R CA -0.751 55.290 56.100 -0.098 0.000 0.882 1349 R CB 1.151 31.289 30.300 -0.269 0.000 1.180 1349 R HN 0.590 nan 8.270 nan 0.000 0.444 1350 Y N 2.824 123.077 120.300 -0.077 0.000 2.570 1350 Y HA 0.668 5.218 4.550 -0.000 0.000 0.345 1350 Y C 0.213 176.150 175.900 0.063 0.000 1.014 1350 Y CA -0.618 57.415 58.100 -0.112 0.000 1.063 1350 Y CB 2.083 40.368 38.460 -0.292 0.000 1.272 1350 Y HN 0.860 nan 8.280 nan 0.000 0.477 1351 c N -1.037 117.644 118.600 0.134 0.000 3.271 1351 c HA 0.934 5.503 4.570 -0.000 0.000 0.362 1351 c C 0.304 174.446 174.090 0.087 0.000 1.567 1351 c CA -0.524 55.950 56.329 0.242 0.000 1.144 1351 c CB 1.010 43.594 42.510 0.125 0.000 1.807 1351 c HN 1.705 nan 8.230 nan 0.000 0.423 1352 G N -0.609 108.230 108.800 0.065 0.000 2.632 1352 G HA2 0.140 4.100 3.960 -0.000 0.000 0.224 1352 G HA3 0.140 4.100 3.960 -0.000 0.000 0.224 1352 G C 0.078 175.137 174.900 0.265 0.000 1.341 1352 G CA 0.328 45.446 45.100 0.030 0.000 0.880 1352 G HN 2.445 nan 8.290 nan 0.000 0.566 1353 V N 0.743 120.803 119.914 0.242 0.000 3.376 1353 V HA 0.322 4.442 4.120 -0.000 0.000 0.313 1353 V C 0.178 176.373 176.094 0.169 0.000 1.393 1353 V CA 0.824 63.281 62.300 0.261 0.000 1.125 1353 V CB -0.379 31.570 31.823 0.211 0.000 1.037 1353 V HN 0.577 nan 8.190 nan 0.000 0.440 1354 D N 1.603 122.031 120.400 0.046 0.000 2.343 1354 D HA 0.245 4.885 4.640 -0.000 0.000 0.255 1354 D C -0.180 175.959 176.300 -0.268 0.000 1.187 1354 D CA 0.015 53.969 54.000 -0.077 0.000 0.875 1354 D CB 1.530 42.266 40.800 -0.107 0.000 1.136 1354 D HN 0.184 nan 8.370 nan 0.000 0.469 1355 L N 5.570 126.707 121.223 -0.144 0.000 2.433 1355 L HA 0.224 4.564 4.340 -0.000 0.000 0.275 1355 L C -1.986 174.705 176.870 -0.297 0.000 1.128 1355 L CA -1.090 53.633 54.840 -0.194 0.000 0.875 1355 L CB 0.098 42.168 42.059 0.018 0.000 1.171 1355 L HN 0.242 nan 8.230 nan 0.000 0.463 1356 P HA 0.230 nan 4.420 nan 0.000 0.272 1356 P C -2.573 174.643 177.300 -0.140 0.000 1.230 1356 P CA -1.071 61.765 63.100 -0.440 0.000 0.788 1356 P CB -0.330 30.696 31.700 -1.123 0.000 0.949 1357 P HA 0.176 nan 4.420 nan 0.000 0.269 1357 P C -2.371 175.046 177.300 0.195 0.000 1.215 1357 P CA -0.903 62.257 63.100 0.099 0.000 0.780 1357 P CB -0.780 30.985 31.700 0.108 0.000 0.898 1358 P HA 0.300 nan 4.420 nan 0.000 0.276 1358 P C 0.272 177.745 177.300 0.289 0.000 1.264 1358 P CA 0.290 63.542 63.100 0.254 0.000 0.815 1358 P CB -0.024 31.785 31.700 0.183 0.000 1.121 1359 G N -2.170 106.810 108.800 0.300 0.000 2.342 1359 G HA2 0.526 4.486 3.960 -0.000 0.000 0.297 1359 G HA3 0.526 4.486 3.960 -0.000 0.000 0.297 1359 G C -1.807 173.084 174.900 -0.016 0.000 1.313 1359 G CA -0.359 44.890 45.100 0.248 0.000 0.830 1359 G HN 0.437 nan 8.290 nan 0.000 0.506 1360 S N -0.627 115.031 115.700 -0.070 0.000 2.543 1360 S HA 0.670 5.140 4.470 -0.000 0.000 0.273 1360 S C -0.186 174.346 174.600 -0.114 0.000 1.152 1360 S CA -0.244 57.844 58.200 -0.187 0.000 0.910 1360 S CB 1.649 64.803 63.200 -0.076 0.000 1.105 1360 S HN 1.362 nan 8.310 nan 0.000 0.465 1361 T N -0.346 114.117 114.554 -0.152 0.000 2.907 1361 T HA 0.303 4.652 4.350 -0.000 0.000 0.298 1361 T C 1.415 176.107 174.700 -0.014 0.000 1.017 1361 T CA -0.085 61.992 62.100 -0.038 0.000 1.118 1361 T CB 0.837 69.689 68.868 -0.026 0.000 0.948 1361 T HN 0.722 nan 8.240 nan 0.000 0.531 1362 T N -0.712 113.850 114.554 0.013 0.000 3.129 1362 T HA 0.186 4.535 4.350 -0.000 0.000 0.251 1362 T C 0.856 175.566 174.700 0.017 0.000 1.117 1362 T CA 0.002 62.109 62.100 0.013 0.000 1.034 1362 T CB -0.011 68.869 68.868 0.020 0.000 0.968 1362 T HN 0.561 nan 8.240 nan 0.000 0.526 1363 S N 0.265 115.979 115.700 0.022 0.000 2.786 1363 S HA 0.560 5.030 4.470 -0.000 0.000 0.307 1363 S C 1.278 175.889 174.600 0.018 0.000 1.121 1363 S CA -0.104 58.111 58.200 0.025 0.000 0.975 1363 S CB 1.647 64.871 63.200 0.040 0.000 1.220 1363 S HN 0.389 nan 8.310 nan 0.000 0.550 1364 S N 0.259 115.971 115.700 0.019 0.000 2.511 1364 S HA 0.330 4.800 4.470 -0.000 0.000 0.214 1364 S C 0.295 174.903 174.600 0.013 0.000 0.997 1364 S CA -0.118 58.091 58.200 0.015 0.000 0.908 1364 S CB -0.087 63.122 63.200 0.014 0.000 0.803 1364 S HN 0.475 nan 8.310 nan 0.000 0.504 1365 K N 2.003 122.417 120.400 0.023 0.000 2.172 1365 K HA 0.353 4.673 4.320 -0.000 0.000 0.276 1365 K C -1.178 175.454 176.600 0.054 0.000 1.013 1365 K CA -0.491 55.813 56.287 0.028 0.000 0.913 1365 K CB 1.472 33.991 32.500 0.032 0.000 1.055 1365 K HN 0.357 nan 8.250 nan 0.000 0.461 1366 L N 3.797 125.051 121.223 0.051 0.000 2.518 1366 L HA 0.307 4.646 4.340 -0.000 0.000 0.262 1366 L C -1.272 175.668 176.870 0.117 0.000 0.982 1366 L CA -0.346 54.560 54.840 0.109 0.000 0.873 1366 L CB 1.516 43.626 42.059 0.085 0.000 1.198 1366 L HN 0.678 nan 8.230 nan 0.000 0.427 1367 Q N 3.389 123.298 119.800 0.181 0.000 2.257 1367 Q HA 0.588 4.928 4.340 -0.000 0.000 0.255 1367 Q C -0.489 175.661 176.000 0.249 0.000 0.920 1367 Q CA -0.591 55.317 55.803 0.175 0.000 0.927 1367 Q CB 2.762 31.561 28.738 0.103 0.000 1.229 1367 Q HN 0.591 nan 8.270 nan 0.000 0.433 1368 V N 1.223 121.286 119.914 0.248 0.000 2.384 1368 V HA 0.576 4.696 4.120 -0.000 0.000 0.287 1368 V C -0.594 175.699 176.094 0.332 0.000 1.020 1368 V CA -0.894 61.573 62.300 0.279 0.000 0.850 1368 V CB 0.907 32.890 31.823 0.265 0.000 0.987 1368 V HN 0.600 nan 8.190 nan 0.000 0.436 1369 L N 5.685 127.072 121.223 0.274 0.000 2.313 1369 L HA 0.649 4.988 4.340 -0.000 0.000 0.283 1369 L C -0.708 176.264 176.870 0.170 0.000 1.013 1369 L CA -0.613 54.351 54.840 0.207 0.000 0.816 1369 L CB 1.880 44.087 42.059 0.248 0.000 1.236 1369 L HN 0.659 nan 8.230 nan 0.000 0.419 1370 L N 5.032 126.306 121.223 0.084 0.000 2.345 1370 L HA 0.546 4.886 4.340 -0.000 0.000 0.274 1370 L C -1.385 175.371 176.870 -0.190 0.000 0.999 1370 L CA -0.239 54.590 54.840 -0.019 0.000 0.849 1370 L CB 1.197 43.328 42.059 0.120 0.000 1.220 1370 L HN 0.358 nan 8.230 nan 0.000 0.422 1371 L N 4.261 125.220 121.223 -0.440 0.000 2.282 1371 L HA 0.690 5.029 4.340 -0.000 0.000 0.288 1371 L C 0.409 177.010 176.870 -0.448 0.000 1.033 1371 L CA 0.237 54.768 54.840 -0.515 0.000 0.807 1371 L CB 1.659 43.296 42.059 -0.704 0.000 1.209 1371 L HN 0.700 nan 8.230 nan 0.000 0.423 1372 T N 1.788 116.172 114.554 -0.284 0.000 2.893 1372 T HA 0.573 4.923 4.350 -0.000 0.000 0.291 1372 T C -0.652 173.990 174.700 -0.096 0.000 1.028 1372 T CA -0.726 61.300 62.100 -0.123 0.000 0.995 1372 T CB 0.985 69.866 68.868 0.021 0.000 1.051 1372 T HN 0.700 nan 8.240 nan 0.000 0.470 1373 D N 1.871 122.262 120.400 -0.015 0.000 2.567 1373 D HA 0.353 4.993 4.640 -0.000 0.000 0.275 1373 D C 1.134 177.434 176.300 0.000 0.000 1.195 1373 D CA -0.347 53.643 54.000 -0.017 0.000 1.087 1373 D CB 0.460 41.265 40.800 0.008 0.000 1.165 1373 D HN 0.689 nan 8.370 nan 0.000 0.609 1374 G N -1.244 107.554 108.800 -0.003 0.000 3.314 1374 G HA2 0.421 4.381 3.960 -0.000 0.000 0.238 1374 G HA3 0.421 4.381 3.960 -0.000 0.000 0.238 1374 G C 0.171 175.064 174.900 -0.011 0.000 1.184 1374 G CA 0.403 45.498 45.100 -0.008 0.000 0.806 1374 G HN 0.552 nan 8.290 nan 0.000 0.536 1375 V N -4.170 115.739 119.914 -0.008 0.000 3.181 1375 V HA 1.042 5.162 4.120 -0.000 0.000 0.308 1375 V C -0.183 175.889 176.094 -0.037 0.000 1.214 1375 V CA -0.579 61.709 62.300 -0.020 0.000 1.053 1375 V CB 1.643 33.461 31.823 -0.008 0.000 1.069 1375 V HN 0.687 nan 8.190 nan 0.000 0.441 1376 G N 1.231 109.997 108.800 -0.057 0.000 2.556 1376 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 1376 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 1376 G C -0.431 174.422 174.900 -0.078 0.000 1.516 1376 G CA -0.247 44.803 45.100 -0.083 0.000 0.824 1376 G HN 1.477 nan 8.290 nan 0.000 0.535 1377 R N -0.199 120.264 120.500 -0.062 0.000 2.323 1377 R HA 0.241 4.581 4.340 -0.000 0.000 0.198 1377 R C 0.659 176.908 176.300 -0.085 0.000 0.988 1377 R CA 0.251 56.319 56.100 -0.053 0.000 1.041 1377 R CB -0.023 30.264 30.300 -0.022 0.000 0.926 1377 R HN 0.360 nan 8.270 nan 0.000 0.476 1378 R N 1.250 121.664 120.500 -0.144 0.000 3.008 1378 R HA -0.087 4.253 4.340 -0.000 0.000 0.267 1378 R C -1.206 174.988 176.300 -0.177 0.000 1.021 1378 R CA 0.791 56.775 56.100 -0.194 0.000 0.668 1378 R CB -2.691 27.525 30.300 -0.140 0.000 1.321 1378 R HN 0.785 nan 8.270 nan 0.000 0.394 1379 E N 1.678 121.749 120.200 -0.216 0.000 2.343 1379 E HA 0.216 4.566 4.350 -0.000 0.000 0.269 1379 E C 0.467 177.017 176.600 -0.083 0.000 1.047 1379 E CA -0.589 55.761 56.400 -0.084 0.000 0.874 1379 E CB 1.203 30.940 29.700 0.061 0.000 1.033 1379 E HN -0.004 nan 8.360 nan 0.000 0.409 1380 K N 1.034 121.460 120.400 0.044 0.000 2.057 1380 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 1380 K C 1.154 177.875 176.600 0.203 0.000 1.050 1380 K CA 1.418 57.690 56.287 -0.025 0.000 0.935 1380 K CB -0.265 32.156 32.500 -0.132 0.000 0.715 1380 K HN 0.847 nan 8.250 nan 0.000 0.439 1381 G N 0.249 109.304 108.800 0.425 0.000 2.217 1381 G HA2 0.018 3.978 3.960 -0.000 0.000 0.173 1381 G HA3 0.018 3.978 3.960 -0.000 0.000 0.173 1381 G C -1.204 173.847 174.900 0.252 0.000 1.324 1381 G CA -0.275 45.078 45.100 0.423 0.000 1.225 1381 G HN 0.248 nan 8.290 nan 0.000 0.494 1382 F N -0.905 119.047 119.950 0.003 0.000 2.711 1382 F HA 0.906 5.433 4.527 -0.000 0.000 0.313 1382 F C -1.099 174.456 175.800 -0.409 0.000 1.141 1382 F CA -0.909 56.965 58.000 -0.209 0.000 0.941 1382 F CB 1.780 40.580 39.000 -0.334 0.000 1.349 1382 F HN 0.722 nan 8.300 nan 0.000 0.464 1383 Q N 2.025 121.656 119.800 -0.281 0.000 2.320 1383 Q HA 0.709 5.049 4.340 -0.000 0.000 0.272 1383 Q C -1.722 174.259 176.000 -0.032 0.000 1.023 1383 Q CA -0.983 54.548 55.803 -0.454 0.000 0.855 1383 Q CB 3.023 31.405 28.738 -0.593 0.000 1.367 1383 Q HN 0.859 nan 8.270 nan 0.000 0.406 1384 M N -0.366 119.155 119.600 -0.132 0.000 2.520 1384 M HA 0.476 4.956 4.480 -0.000 0.000 0.280 1384 M C -1.516 174.675 176.300 -0.182 0.000 1.232 1384 M CA -0.780 54.356 55.300 -0.273 0.000 0.892 1384 M CB 1.927 33.979 32.600 -0.913 0.000 1.728 1384 M HN 0.327 nan 8.290 nan 0.000 0.475 1385 Q N 0.859 120.541 119.800 -0.197 0.000 2.221 1385 Q HA 0.769 5.109 4.340 -0.000 0.000 0.242 1385 Q C -1.626 174.325 176.000 -0.083 0.000 0.940 1385 Q CA -0.374 55.298 55.803 -0.217 0.000 0.896 1385 Q CB 1.702 30.269 28.738 -0.285 0.000 1.226 1385 Q HN 0.819 nan 8.270 nan 0.000 0.463 1386 W N 0.543 121.650 121.300 -0.321 0.000 3.118 1386 W HA 0.696 5.356 4.660 -0.000 0.000 0.328 1386 W C -2.293 174.027 176.519 -0.332 0.000 1.239 1386 W CA -0.811 56.369 57.345 -0.275 0.000 1.176 1386 W CB 0.486 29.882 29.460 -0.107 0.000 1.433 1386 W HN 0.419 nan 8.180 nan 0.000 0.562 1387 F N 0.838 120.998 119.950 0.350 0.000 2.835 1387 F HA 0.858 5.385 4.527 -0.000 0.000 0.373 1387 F C 0.171 176.107 175.800 0.227 0.000 1.209 1387 F CA -1.396 56.725 58.000 0.201 0.000 1.082 1387 F CB 1.128 40.175 39.000 0.079 0.000 1.472 1387 F HN 0.321 nan 8.300 nan 0.000 0.519 1388 V N 0.000 120.154 119.914 0.400 0.000 2.409 1388 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1388 V CA 0.000 62.427 62.300 0.211 0.000 1.235 1388 V CB 0.000 31.944 31.823 0.202 0.000 1.184 1388 V HN 0.000 nan 8.190 nan 0.000 0.556