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_D 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 56.243 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 1.329 109.865 108.800 -0.441 0.000 2.697 933 G HA2 0.491 4.452 3.960 0.002 0.000 0.686 933 G HA3 0.491 4.452 3.960 0.002 0.000 0.686 933 G C -1.217 173.441 174.900 -0.404 0.000 1.179 933 G CA 0.304 44.979 45.100 -0.707 0.000 0.765 933 G HN 2.021 nan 8.290 nan 0.000 0.649 934 E N -0.330 119.632 120.200 -0.397 0.000 2.413 934 E HA 0.708 5.059 4.350 0.002 0.000 0.277 934 E C -0.391 176.270 176.600 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 1.626 nan 8.360 nan 0.000 0.456 935 I N -0.278 120.356 120.570 0.106 0.000 2.441 935 I HA 0.546 4.717 4.170 0.002 0.000 0.295 935 I C -1.587 174.604 176.117 0.123 0.000 0.994 935 I CA -1.050 60.334 61.300 0.141 0.000 1.144 935 I CB 1.197 39.256 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 4.867 4.340 0.002 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 -1.230 113.385 114.554 0.101 0.000 3.038 937 T HA 0.062 4.413 4.350 0.002 0.000 0.244 937 T C 0.647 175.410 174.700 0.105 0.000 1.016 937 T CA -0.282 61.867 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 1.637 121.912 120.200 0.125 0.000 2.492 938 E HA 0.004 4.355 4.350 0.002 0.000 0.266 938 E C 0.675 177.351 176.600 0.127 0.000 1.047 938 E CA 0.081 56.542 56.400 0.100 0.000 0.968 938 E CB 0.460 30.209 29.700 0.083 0.000 0.960 938 E HN 0.240 nan 8.360 nan 0.000 0.452 939 S N 1.082 116.802 115.700 0.033 0.000 2.436 939 S HA -0.018 4.453 4.470 0.002 0.000 0.228 939 S C 0.267 174.781 174.600 -0.144 0.000 1.014 939 S CA 0.741 58.948 58.200 0.011 0.000 0.950 939 S CB 0.286 63.475 63.200 -0.018 0.000 0.784 939 S HN 0.538 nan 8.310 nan 0.000 0.504 940 T N 0.428 114.824 114.554 -0.264 0.000 2.906 940 T HA 0.745 5.096 4.350 0.002 0.000 0.295 940 T C -0.025 174.338 174.700 -0.562 0.000 1.061 940 T CA -0.472 61.292 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 0.383 nan 8.240 nan 0.000 0.486 941 G N 0.542 108.871 108.800 -0.786 0.000 2.430 941 G HA2 0.603 4.564 3.960 0.002 0.000 0.300 941 G HA3 0.603 4.564 3.960 0.002 0.000 0.300 941 G C -1.356 173.472 174.900 -0.121 0.000 1.330 941 G CA -0.704 44.260 45.100 -0.227 0.000 0.813 941 G HN 0.834 nan 8.290 nan 0.000 0.487 942 T N -0.659 113.918 114.554 0.038 0.000 2.888 942 T HA 0.766 5.117 4.350 0.002 0.000 0.288 942 T C -0.662 174.053 174.700 0.024 0.000 1.063 942 T CA -0.594 61.511 62.100 0.009 0.000 1.010 942 T CB 2.068 70.922 68.868 -0.024 0.000 1.214 942 T HN 0.525 nan 8.240 nan 0.000 0.533 943 I N 1.789 122.314 120.570 -0.076 0.000 2.497 943 I HA 0.225 4.396 4.170 0.002 0.000 0.284 943 I C -0.837 175.233 176.117 -0.078 0.000 1.060 943 I CA -0.775 60.421 61.300 -0.173 0.000 1.071 943 I CB 1.924 39.640 38.000 -0.474 0.000 1.216 943 I HN 0.366 nan 8.210 nan 0.000 0.442 944 Q N 3.967 123.799 119.800 0.055 0.000 2.303 944 Q HA 0.234 4.575 4.340 0.002 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 3.811 119.418 115.700 -0.155 0.000 2.546 945 S HA 0.054 4.525 4.470 0.002 0.000 0.290 945 S C -1.562 173.092 174.600 0.090 0.000 1.290 945 S CA -0.777 57.224 58.200 -0.333 0.000 1.069 945 S CB 0.609 63.302 63.200 -0.845 0.000 0.846 945 S HN 0.316 nan 8.310 nan 0.000 0.495 946 P HA -0.076 nan 4.420 nan 0.000 0.214 946 P C 1.705 179.102 177.300 0.162 0.000 1.169 946 P CA 1.912 65.137 63.100 0.207 0.000 0.908 946 P CB -0.451 31.372 31.700 0.205 0.000 0.791 947 G N -1.760 107.142 108.800 0.169 0.000 2.422 947 G HA2 -0.231 3.730 3.960 0.002 0.000 0.218 947 G HA3 -0.231 3.730 3.960 0.002 0.000 0.218 947 G C 0.448 175.419 174.900 0.118 0.000 1.146 947 G CA 0.405 45.581 45.100 0.127 0.000 0.769 947 G HN 0.338 nan 8.290 nan 0.000 0.547 948 H N 1.433 120.527 119.070 0.040 0.000 3.163 948 H HA 0.059 4.616 4.556 0.002 0.000 0.321 948 H C -1.285 174.067 175.328 0.040 0.000 1.006 948 H CA -0.390 55.676 56.048 0.030 0.000 1.344 948 H CB 1.058 30.823 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 -1.011 176.013 177.300 -0.459 0.000 1.184 949 P CA 0.955 63.595 63.100 -0.767 0.000 0.760 949 P CB 0.074 31.553 31.700 -0.369 0.000 0.884 950 N N -2.284 116.314 118.700 -0.171 0.000 5.360 950 N HA 0.110 4.851 4.740 0.002 0.000 0.154 950 N C -1.131 174.356 175.510 -0.039 0.000 1.009 950 N CA -0.566 52.439 53.050 -0.075 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 -0.442 119.449 119.914 -0.039 0.000 3.166 951 V HA 0.829 4.950 4.120 0.002 0.000 0.317 951 V C -0.066 176.026 176.094 -0.003 0.000 1.136 951 V CA -1.038 61.248 62.300 -0.022 0.000 1.035 951 V CB 1.146 32.882 31.823 -0.144 0.000 1.110 951 V HN 0.649 nan 8.190 nan 0.000 0.450 952 Y N -0.373 119.889 120.300 -0.063 0.000 2.304 952 Y HA 0.813 5.364 4.550 0.002 0.000 0.327 952 Y C -2.548 173.258 175.900 -0.156 0.000 1.209 952 Y CA -2.799 55.275 58.100 -0.045 0.000 1.299 952 Y CB -0.271 38.221 38.460 0.053 0.000 1.249 952 Y HN 0.423 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 0.038 63.074 63.100 -0.107 0.000 0.780 953 P CB 0.390 32.110 31.700 0.033 0.000 0.901 954 H N 0.836 119.817 119.070 -0.147 0.000 2.562 954 H HA 0.348 4.905 4.556 0.002 0.000 0.352 954 H C 1.217 176.490 175.328 -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 2.307 111.120 108.800 0.020 0.000 2.171 955 G HA2 -0.219 3.742 3.960 0.002 0.000 0.238 955 G HA3 -0.219 3.742 3.960 0.002 0.000 0.238 955 G C 0.050 174.902 174.900 -0.080 0.000 1.039 955 G CA -0.285 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 -0.408 120.075 120.570 -0.146 0.000 2.886 956 I HA 0.388 4.559 4.170 0.002 0.000 0.299 956 I C 0.919 176.921 176.117 -0.192 0.000 1.044 956 I CA -0.610 60.582 61.300 -0.179 0.000 1.310 956 I CB 1.358 39.200 38.000 -0.263 0.000 1.441 956 I HN 0.103 nan 8.210 nan 0.000 0.578 957 N N 0.990 119.604 118.700 -0.142 0.000 2.301 957 N HA 0.078 4.819 4.740 0.002 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 38.718 38.487 -0.069 0.000 1.332 957 N HN 0.571 nan 8.380 nan 0.000 0.494 958 c N 0.340 118.882 118.600 -0.096 0.000 2.676 958 c HA 0.565 5.136 4.570 0.002 0.000 0.416 958 c C 0.438 174.468 174.090 -0.101 0.000 1.299 958 c CA 0.767 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 4.904 119.302 114.554 -0.260 0.000 2.993 959 T HA 0.449 4.800 4.350 0.002 0.000 0.312 959 T C -1.181 173.414 174.700 -0.175 0.000 1.115 959 T CA -0.270 61.795 62.100 -0.058 0.000 1.027 959 T CB 0.695 69.611 68.868 0.080 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 5.177 4.660 0.002 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 1.323 30.807 29.460 0.040 0.000 1.396 960 W HN 0.504 nan 8.180 nan 0.000 0.573 961 H N 2.494 121.702 119.070 0.230 0.000 3.018 961 H HA 0.233 4.790 4.556 0.002 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 2.683 32.489 29.762 0.073 0.000 1.668 961 H HN 0.181 nan 8.280 nan 0.000 0.513 962 I N 5.482 126.064 120.570 0.021 0.000 2.355 962 I HA 0.248 4.419 4.170 0.002 0.000 0.288 962 I C -1.549 174.546 176.117 -0.035 0.000 0.999 962 I CA -0.672 60.569 61.300 -0.098 0.000 1.163 962 I CB 0.797 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 9.197 130.426 121.223 0.010 0.000 2.381 963 L HA 0.839 5.180 4.340 0.002 0.000 0.274 963 L C -1.470 175.426 176.870 0.043 0.000 0.988 963 L CA -0.502 54.361 54.840 0.038 0.000 0.824 963 L CB 1.625 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 4.908 124.849 119.914 0.044 0.000 3.130 964 V HA 0.539 4.660 4.120 0.002 0.000 0.310 964 V C -0.583 175.512 176.094 0.003 0.000 1.158 964 V CA -0.402 61.924 62.300 0.044 0.000 1.029 964 V CB 2.197 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 4.082 123.839 119.800 -0.071 0.000 2.523 965 Q HA 0.250 4.591 4.340 0.002 0.000 0.283 965 Q C -2.342 173.616 176.000 -0.069 0.000 1.140 965 Q CA -0.549 55.179 55.803 -0.126 0.000 0.981 965 Q CB -0.154 28.418 28.738 -0.278 0.000 1.310 965 Q HN 0.594 nan 8.270 nan 0.000 0.483 966 P HA -0.008 nan 4.420 nan 0.000 0.279 966 P C -0.842 176.558 177.300 0.167 0.000 1.282 966 P CA 0.006 63.142 63.100 0.060 0.000 0.788 966 P CB 0.283 32.008 31.700 0.042 0.000 1.139 967 N N -3.041 115.747 118.700 0.147 0.000 2.681 967 N HA -0.267 4.474 4.740 0.002 0.000 0.250 967 N C -0.762 174.871 175.510 0.204 0.000 1.133 967 N CA 1.207 54.352 53.050 0.158 0.000 0.732 967 N CB -2.195 36.385 38.487 0.154 0.000 1.107 967 N HN 0.570 nan 8.380 nan 0.000 0.559 968 H N -1.183 117.892 119.070 0.008 0.000 2.941 968 H HA 0.831 5.388 4.556 0.002 0.000 0.344 968 H C -0.512 174.819 175.328 0.006 0.000 1.235 968 H CA -0.504 55.548 56.048 0.006 0.000 1.149 968 H CB 1.024 30.794 29.762 0.015 0.000 1.885 968 H HN 0.045 nan 8.280 nan 0.000 0.558 969 L N 0.827 122.123 121.223 0.121 0.000 2.350 969 L HA 0.500 4.841 4.340 0.002 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 1.720 43.778 42.059 -0.001 0.000 1.370 969 L HN 0.483 nan 8.230 nan 0.000 0.416 970 I N 1.087 121.700 120.570 0.071 0.000 2.336 970 I HA 0.325 4.495 4.170 0.002 0.000 0.292 970 I C -0.236 175.947 176.117 0.109 0.000 0.991 970 I CA -0.302 61.053 61.300 0.092 0.000 1.227 970 I CB 1.002 39.013 38.000 0.017 0.000 1.366 970 I HN 0.463 nan 8.210 nan 0.000 0.466 971 H N 7.306 126.383 119.070 0.012 0.000 2.541 971 H HA 0.500 5.057 4.556 0.002 0.000 0.316 971 H C -1.339 173.948 175.328 -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 6.635 127.645 121.223 -0.355 0.000 2.257 972 L HA 0.219 4.560 4.340 0.002 0.000 0.290 972 L C 0.410 176.819 176.870 -0.768 0.000 1.044 972 L CA -0.666 53.828 54.840 -0.577 0.000 0.810 972 L CB 1.133 42.826 42.059 -0.611 0.000 1.193 972 L HN 0.537 nan 8.230 nan 0.000 0.425 973 M N 2.170 121.321 119.600 -0.749 0.000 2.116 973 M HA 0.416 4.897 4.480 0.002 0.000 0.235 973 M C -0.569 175.324 176.300 -0.678 0.000 1.193 973 M CA -0.176 54.798 55.300 -0.545 0.000 0.959 973 M CB 0.329 32.706 32.600 -0.371 0.000 1.313 973 M HN 0.310 nan 8.290 nan 0.000 0.530 974 F N 0.152 119.938 119.950 -0.273 0.000 2.806 974 F HA 0.199 4.727 4.527 0.002 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 0.549 nan 8.300 nan 0.000 0.553 975 E N -0.096 120.108 120.200 0.006 0.000 2.055 975 E HA -0.152 4.199 4.350 0.002 0.000 0.209 975 E C 0.416 177.053 176.600 0.061 0.000 1.036 975 E CA 1.688 58.099 56.400 0.018 0.000 0.849 975 E CB -0.176 29.530 29.700 0.011 0.000 0.767 975 E HN 0.364 nan 8.360 nan 0.000 0.461 976 T N -0.871 113.752 114.554 0.114 0.000 2.916 976 T HA 0.562 4.913 4.350 0.002 0.000 0.292 976 T C -0.840 174.033 174.700 0.290 0.000 1.055 976 T CA -0.642 61.561 62.100 0.173 0.000 1.009 976 T CB 1.911 70.920 68.868 0.235 0.000 1.118 976 T HN 0.143 nan 8.240 nan 0.000 0.497 977 F N 1.712 121.683 119.950 0.035 0.000 3.764 977 F HA 0.288 4.816 4.527 0.002 0.000 0.411 977 F C -1.172 174.612 175.800 -0.028 0.000 1.073 977 F CA -0.468 57.534 58.000 0.003 0.000 1.540 977 F CB 0.429 39.304 39.000 -0.208 0.000 2.372 977 F HN 0.757 nan 8.300 nan 0.000 0.816 978 H N 4.652 123.563 119.070 -0.266 0.000 2.472 978 H HA 0.898 5.455 4.556 0.002 0.000 0.338 978 H C -1.037 174.039 175.328 -0.420 0.000 1.133 978 H CA -0.343 55.505 56.048 -0.332 0.000 1.216 978 H CB 1.465 31.146 29.762 -0.135 0.000 1.497 978 H HN 0.534 nan 8.280 nan 0.000 0.500 979 L N 2.206 123.309 121.223 -0.200 0.000 2.540 979 L HA 0.217 4.558 4.340 0.002 0.000 0.256 979 L C -0.607 176.400 176.870 0.228 0.000 1.001 979 L CA -1.004 53.875 54.840 0.064 0.000 0.843 979 L CB 2.392 44.367 42.059 -0.139 0.000 1.436 979 L HN 0.719 nan 8.230 nan 0.000 0.410 980 E N 1.603 122.155 120.200 0.586 0.000 2.384 980 E HA 0.137 4.488 4.350 0.002 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 1.095 31.115 29.700 0.533 0.000 0.967 980 E HN 0.356 nan 8.360 nan 0.000 0.435 981 F N 4.238 124.317 119.950 0.215 0.000 2.378 981 F HA 0.444 4.972 4.527 0.002 0.000 0.325 981 F C -0.792 175.177 175.800 0.282 0.000 1.097 981 F CA -0.506 57.603 58.000 0.181 0.000 1.079 981 F CB 1.223 40.259 39.000 0.060 0.000 1.240 981 F HN 0.594 nan 8.300 nan 0.000 0.519 982 H N 4.522 123.200 119.070 -0.653 0.000 3.159 982 H HA 0.026 4.583 4.556 0.002 0.000 0.313 982 H C -0.650 174.512 175.328 -0.276 0.000 1.071 982 H CA -0.534 55.219 56.048 -0.492 0.000 1.451 982 H CB 0.813 30.519 29.762 -0.092 0.000 2.075 982 H HN 0.892 nan 8.280 nan 0.000 0.443 983 Y N 5.239 125.343 120.300 -0.327 0.000 2.070 983 Y HA -0.259 4.292 4.550 0.002 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 38.399 38.460 -0.019 0.000 0.975 983 Y HN 0.707 nan 8.280 nan 0.000 0.492 984 N N -0.282 118.501 118.700 0.138 0.000 2.520 984 N HA -0.179 4.562 4.740 0.002 0.000 0.185 984 N C 0.059 175.565 175.510 -0.007 0.000 1.068 984 N CA 0.989 54.056 53.050 0.029 0.000 0.911 984 N CB -0.213 38.364 38.487 0.150 0.000 0.961 984 N HN 0.489 nan 8.380 nan 0.000 0.446 985 c N 0.230 118.889 118.600 0.098 0.000 4.533 985 c HA -0.119 4.452 4.570 0.002 0.000 0.304 985 c C 1.395 175.470 174.090 -0.026 0.000 1.316 985 c CA 0.538 56.897 56.329 0.050 0.000 2.053 985 c CB -2.615 39.858 42.510 -0.061 0.000 1.242 985 c HN 0.596 nan 8.230 nan 0.000 0.758 986 T N -1.114 113.307 114.554 -0.222 0.000 3.045 986 T HA -0.013 4.338 4.350 0.002 0.000 0.239 986 T C 1.623 176.236 174.700 -0.145 0.000 1.008 986 T CA 1.059 63.037 62.100 -0.204 0.000 1.143 986 T CB -0.041 68.661 68.868 -0.276 0.000 0.894 986 T HN 0.543 nan 8.240 nan 0.000 0.451 987 N N 1.728 120.109 118.700 -0.531 0.000 2.038 987 N HA -0.001 4.740 4.740 0.002 0.000 0.192 987 N C 0.351 175.860 175.510 -0.003 0.000 1.080 987 N CA 1.198 54.148 53.050 -0.168 0.000 0.867 987 N CB -0.496 37.993 38.487 0.003 0.000 1.055 987 N HN 0.343 nan 8.380 nan 0.000 0.430 988 D N -1.243 119.223 120.400 0.109 0.000 2.277 988 D HA 0.447 5.088 4.640 0.002 0.000 0.250 988 D C -0.825 175.627 176.300 0.253 0.000 1.032 988 D CA -0.059 54.018 54.000 0.129 0.000 0.947 988 D CB 0.894 41.861 40.800 0.279 0.000 1.159 988 D HN 0.297 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 0.002 0.000 0.392 989 Y C -2.595 173.570 175.900 0.441 0.000 1.159 989 Y CA -1.324 56.950 58.100 0.290 0.000 1.220 989 Y CB 0.454 39.017 38.460 0.172 0.000 1.506 989 Y HN 0.386 nan 8.280 nan 0.000 0.481 990 L N 2.772 124.482 121.223 0.811 0.000 2.438 990 L HA 0.631 4.972 4.340 0.002 0.000 0.270 990 L C -1.268 175.926 176.870 0.539 0.000 0.972 990 L CA -0.474 54.766 54.840 0.667 0.000 0.831 990 L CB 1.877 44.215 42.059 0.466 0.000 1.273 990 L HN 0.959 nan 8.230 nan 0.000 0.405 991 E N 3.731 124.210 120.200 0.465 0.000 2.299 991 E HA 0.613 4.964 4.350 0.002 0.000 0.265 991 E C -1.794 174.961 176.600 0.257 0.000 0.911 991 E CA -0.875 55.707 56.400 0.304 0.000 0.789 991 E CB 2.920 32.726 29.700 0.176 0.000 1.246 991 E HN 0.278 nan 8.360 nan 0.000 0.427 992 V N 3.213 123.258 119.914 0.217 0.000 2.462 992 V HA 0.330 4.451 4.120 0.002 0.000 0.288 992 V C -1.832 174.354 176.094 0.153 0.000 1.020 992 V CA -0.575 61.818 62.300 0.156 0.000 0.857 992 V CB 0.733 32.615 31.823 0.098 0.000 1.013 992 V HN 0.771 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 0.478 5.029 4.550 0.002 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 1.435 39.906 38.460 0.018 0.000 1.234 993 Y HN 0.804 nan 8.280 nan 0.000 0.512 994 D N 3.679 123.821 120.400 -0.430 0.000 2.435 994 D HA 0.083 4.724 4.640 0.002 0.000 0.230 994 D C 0.900 177.090 176.300 -0.184 0.000 1.215 994 D CA 0.407 54.248 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 1.959 116.556 114.554 0.071 0.000 2.624 995 T HA -0.233 4.118 4.350 0.002 0.000 0.268 995 T C 1.273 176.056 174.700 0.137 0.000 1.041 995 T CA 1.394 63.624 62.100 0.217 0.000 1.159 995 T CB -0.165 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 1.010 121.446 120.400 0.060 0.000 2.384 996 D HA -0.004 4.636 4.640 0.002 0.000 0.222 996 D C 0.172 176.489 176.300 0.027 0.000 0.976 996 D CA 0.311 54.339 54.000 0.047 0.000 0.915 996 D CB 0.092 40.909 40.800 0.028 0.000 0.896 996 D HN 0.364 nan 8.370 nan 0.000 0.523 997 S N -0.372 115.322 115.700 -0.009 0.000 2.661 997 S HA 0.362 4.833 4.470 0.002 0.000 0.285 997 S C -0.473 174.090 174.600 -0.061 0.000 1.138 997 S CA -1.070 57.106 58.200 -0.040 0.000 0.855 997 S CB 2.370 65.519 63.200 -0.086 0.000 1.136 997 S HN -0.082 nan 8.310 nan 0.000 0.484 998 E N 1.309 121.497 120.200 -0.020 0.000 2.391 998 E HA 0.525 4.876 4.350 0.002 0.000 0.255 998 E C 0.294 176.802 176.600 -0.154 0.000 1.187 998 E CA 0.159 56.571 56.400 0.020 0.000 0.941 998 E CB -0.051 29.680 29.700 0.051 0.000 1.010 998 E HN 0.740 nan 8.360 nan 0.000 0.458 999 T N -0.285 114.220 114.554 -0.081 0.000 0.541 999 T HA -0.123 4.228 4.350 0.002 0.000 0.774 999 T C -0.231 174.183 174.700 -0.476 0.000 0.992 999 T CA 0.719 62.737 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 0.680 nan 8.240 nan 0.000 0.398 1000 S N -1.163 114.400 115.700 -0.230 0.000 2.541 1000 S HA 0.621 5.092 4.470 0.002 0.000 0.271 1000 S C 0.806 175.362 174.600 -0.073 0.000 1.133 1000 S CA -0.735 57.346 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 2.734 123.938 121.223 -0.033 0.000 2.275 1001 L HA 0.364 4.705 4.340 0.002 0.000 0.215 1001 L C 1.479 178.394 176.870 0.075 0.000 1.119 1001 L CA 0.864 55.724 54.840 0.034 0.000 0.790 1001 L CB -0.936 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 -0.320 108.504 108.800 0.039 0.000 2.339 1002 G HA2 0.056 4.017 3.960 0.002 0.000 0.381 1002 G HA3 0.056 4.017 3.960 0.002 0.000 0.381 1002 G C -1.561 173.184 174.900 -0.258 0.000 1.400 1002 G CA -0.925 44.068 45.100 -0.178 0.000 1.002 1002 G HN -0.006 nan 8.290 nan 0.000 0.633 1003 R N -0.524 119.673 120.500 -0.506 0.000 2.532 1003 R HA 0.727 5.068 4.340 0.002 0.000 0.295 1003 R C -1.382 174.586 176.300 -0.553 0.000 0.968 1003 R CA -0.816 55.072 56.100 -0.353 0.000 0.916 1003 R CB 1.054 31.132 30.300 -0.370 0.000 1.124 1003 R HN 0.548 nan 8.270 nan 0.000 0.463 1004 Y N 3.262 123.608 120.300 0.077 0.000 2.322 1004 Y HA 0.281 4.832 4.550 0.002 0.000 0.324 1004 Y C -0.131 175.956 175.900 0.312 0.000 1.027 1004 Y CA -0.764 57.401 58.100 0.108 0.000 1.179 1004 Y CB 1.313 39.733 38.460 -0.066 0.000 1.136 1004 Y HN 0.652 nan 8.280 nan 0.000 0.449 1005 c N 0.004 118.824 118.600 0.367 0.000 2.531 1005 c HA 1.028 5.599 4.570 0.002 0.000 0.369 1005 c C 1.113 175.382 174.090 0.300 0.000 1.258 1005 c CA -0.113 56.428 56.329 0.354 0.000 1.876 1005 c CB 0.943 43.657 42.510 0.341 0.000 2.256 1005 c HN 1.270 nan 8.230 nan 0.000 0.510 1006 G N 1.246 110.165 108.800 0.199 0.000 2.498 1006 G HA2 -0.140 3.821 3.960 0.002 0.000 0.251 1006 G HA3 -0.140 3.821 3.960 0.002 0.000 0.251 1006 G C 0.281 175.101 174.900 -0.134 0.000 1.170 1006 G CA 0.404 45.526 45.100 0.036 0.000 0.944 1006 G HN 0.839 nan 8.290 nan 0.000 0.567 1007 K N 0.669 120.953 120.400 -0.193 0.000 2.367 1007 K HA 0.248 4.569 4.320 0.002 0.000 0.195 1007 K C 1.361 177.914 176.600 -0.077 0.000 1.060 1007 K CA 0.950 57.126 56.287 -0.185 0.000 1.022 1007 K CB 0.547 32.858 32.500 -0.315 0.000 0.894 1007 K HN 0.785 nan 8.250 nan 0.000 0.540 1008 S N 1.515 117.149 115.700 -0.109 0.000 2.528 1008 S HA 0.507 4.978 4.470 0.002 0.000 0.277 1008 S C -0.043 174.402 174.600 -0.259 0.000 1.297 1008 S CA -0.667 57.400 58.200 -0.222 0.000 1.052 1008 S CB 0.735 63.819 63.200 -0.194 0.000 0.917 1008 S HN 0.244 nan 8.310 nan 0.000 0.492 1009 I N 1.879 122.123 120.570 -0.543 0.000 2.776 1009 I HA 0.237 4.408 4.170 0.002 0.000 0.281 1009 I C -3.015 172.583 176.117 -0.864 0.000 1.620 1009 I CA -0.973 59.770 61.300 -0.930 0.000 1.172 1009 I CB 1.159 38.131 38.000 -1.713 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 62.233 63.100 -0.450 0.000 0.760 1010 P CB 0.091 31.761 31.700 -0.049 0.000 0.773 1011 P HA -0.130 nan 4.420 nan 0.000 0.218 1011 P C -0.078 177.244 177.300 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 -0.143 0.000 0.778 1012 S N -1.144 114.590 115.700 0.058 0.000 2.536 1012 S HA 0.604 5.075 4.470 0.002 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 1.180 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 1.597 122.867 121.223 0.078 0.000 2.376 1013 L HA 0.732 5.073 4.340 0.002 0.000 0.258 1013 L C -0.880 176.049 176.870 0.099 0.000 1.013 1013 L CA -0.575 54.304 54.840 0.066 0.000 0.822 1013 L CB 2.732 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 0.290 4.641 4.350 0.002 0.000 0.312 1014 T C -0.432 174.272 174.700 0.007 0.000 1.078 1014 T CA -0.671 61.461 62.100 0.053 0.000 1.028 1014 T CB 1.803 70.692 68.868 0.034 0.000 1.091 1014 T HN 0.680 nan 8.240 nan 0.000 0.457 1015 S N 1.433 117.132 115.700 -0.001 0.000 2.624 1015 S HA 0.332 4.803 4.470 0.002 0.000 0.263 1015 S C 1.697 176.283 174.600 -0.023 0.000 1.287 1015 S CA -0.063 58.126 58.200 -0.019 0.000 0.990 1015 S CB 1.043 64.233 63.200 -0.018 0.000 0.950 1015 S HN 0.833 nan 8.310 nan 0.000 0.561 1016 S N 1.039 116.719 115.700 -0.033 0.000 2.406 1016 S HA 0.250 4.721 4.470 0.002 0.000 0.224 1016 S C 1.017 175.609 174.600 -0.014 0.000 1.030 1016 S CA 0.291 58.473 58.200 -0.030 0.000 0.958 1016 S CB -0.975 62.200 63.200 -0.041 0.000 0.811 1016 S HN 1.073 nan 8.310 nan 0.000 0.489 1017 G N 1.663 110.459 108.800 -0.007 0.000 2.857 1017 G HA2 0.410 4.371 3.960 0.002 0.000 0.217 1017 G HA3 0.410 4.371 3.960 0.002 0.000 0.217 1017 G C 0.012 174.930 174.900 0.029 0.000 1.357 1017 G CA -0.144 44.964 45.100 0.013 0.000 1.033 1017 G HN 0.449 nan 8.290 nan 0.000 0.571 1018 N N -0.827 117.898 118.700 0.042 0.000 2.238 1018 N HA 0.120 4.861 4.740 0.002 0.000 0.222 1018 N C -0.169 175.365 175.510 0.040 0.000 1.133 1018 N CA 0.076 53.158 53.050 0.053 0.000 0.854 1018 N CB 0.571 39.097 38.487 0.065 0.000 1.041 1018 N HN 0.395 nan 8.380 nan 0.000 0.510 1019 S N -0.262 115.457 115.700 0.033 0.000 2.541 1019 S HA 0.729 5.200 4.470 0.002 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 2.164 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 4.813 4.340 0.002 0.000 0.265 1020 L C -0.803 175.991 176.870 -0.126 0.000 0.954 1020 L CA -0.656 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 4.008 123.553 119.600 -0.092 0.000 2.235 1021 M HA 0.400 4.881 4.480 0.002 0.000 0.351 1021 M C -0.763 175.494 176.300 -0.072 0.000 1.178 1021 M CA -0.148 55.016 55.300 -0.226 0.000 1.143 1021 M CB 1.233 33.827 32.600 -0.011 0.000 1.530 1021 M HN 0.458 nan 8.290 nan 0.000 0.461 1022 L N 4.203 125.405 121.223 -0.035 0.000 2.489 1022 L HA 0.313 4.654 4.340 0.002 0.000 0.257 1022 L C -1.004 176.070 176.870 0.339 0.000 1.215 1022 L CA -0.424 54.495 54.840 0.132 0.000 0.915 1022 L CB 1.668 43.773 42.059 0.077 0.000 1.146 1022 L HN 0.385 nan 8.230 nan 0.000 0.494 1023 V N 3.441 123.541 119.914 0.311 0.000 2.407 1023 V HA 0.465 4.586 4.120 0.002 0.000 0.278 1023 V C -0.947 175.457 176.094 0.516 0.000 1.037 1023 V CA -0.239 62.287 62.300 0.377 0.000 0.900 1023 V CB 1.632 33.610 31.823 0.260 0.000 0.983 1023 V HN 0.390 nan 8.190 nan 0.000 0.459 1024 F N 6.669 126.837 119.950 0.364 0.000 2.444 1024 F HA 0.769 5.297 4.527 0.002 0.000 0.342 1024 F C -0.574 175.279 175.800 0.089 0.000 1.121 1024 F CA -1.013 57.172 58.000 0.308 0.000 0.997 1024 F CB 1.716 41.040 39.000 0.541 0.000 1.130 1024 F HN 0.341 nan 8.300 nan 0.000 0.454 1025 V N 5.868 125.612 119.914 -0.283 0.000 2.711 1025 V HA 0.561 4.682 4.120 0.002 0.000 0.304 1025 V C -0.435 175.254 176.094 -0.675 0.000 1.097 1025 V CA 0.088 62.072 62.300 -0.526 0.000 0.906 1025 V CB 2.289 33.873 31.823 -0.398 0.000 1.015 1025 V HN 1.076 nan 8.190 nan 0.000 0.427 1026 T N 1.880 116.133 114.554 -0.501 0.000 2.598 1026 T HA 0.817 5.168 4.350 0.002 0.000 0.254 1026 T C -0.956 173.653 174.700 -0.152 0.000 0.889 1026 T CA -0.075 61.847 62.100 -0.296 0.000 1.091 1026 T CB 2.139 70.889 68.868 -0.196 0.000 1.437 1026 T HN 0.785 nan 8.240 nan 0.000 0.542 1027 D N -1.502 118.870 120.400 -0.047 0.000 2.677 1027 D HA 0.329 4.970 4.640 0.002 0.000 0.298 1027 D C 1.245 177.573 176.300 0.047 0.000 1.250 1027 D CA 0.102 54.096 54.000 -0.010 0.000 0.888 1027 D CB 0.987 41.785 40.800 -0.002 0.000 1.397 1027 D HN 0.614 nan 8.370 nan 0.000 0.461 1028 S N -0.279 115.444 115.700 0.038 0.000 2.338 1028 S HA -0.098 4.373 4.470 0.002 0.000 0.218 1028 S C 0.488 175.132 174.600 0.074 0.000 1.032 1028 S CA 1.170 59.388 58.200 0.030 0.000 0.999 1028 S CB -0.942 62.240 63.200 -0.030 0.000 0.905 1028 S HN 0.681 nan 8.310 nan 0.000 0.439 1029 D N 2.924 123.362 120.400 0.063 0.000 2.308 1029 D HA 0.481 5.122 4.640 0.002 0.000 0.251 1029 D C 0.025 176.386 176.300 0.102 0.000 1.127 1029 D CA -0.381 53.661 54.000 0.071 0.000 0.876 1029 D CB 0.577 41.399 40.800 0.036 0.000 1.176 1029 D HN 0.532 nan 8.370 nan 0.000 0.446 1030 L N -0.603 120.663 121.223 0.071 0.000 0.994 1030 L HA 0.083 4.424 4.340 0.002 0.000 0.407 1030 L C -0.766 175.848 176.870 -0.426 0.000 1.003 1030 L CA -0.158 54.597 54.840 -0.141 0.000 1.203 1030 L CB -1.564 40.492 42.059 -0.005 0.000 0.989 1030 L HN 0.878 nan 8.230 nan 0.000 0.553 1031 A N 2.240 124.530 122.820 -0.884 0.000 2.588 1031 A HA 1.009 5.330 4.320 0.002 0.000 0.290 1031 A C -1.660 175.109 177.584 -1.357 0.000 1.136 1031 A CA -0.552 50.728 52.037 -1.261 0.000 0.681 1031 A CB 1.673 19.747 19.000 -1.544 0.000 1.282 1031 A HN 0.726 nan 8.150 nan 0.000 0.421 1032 Y N -1.317 118.824 120.300 -0.266 0.000 2.853 1032 Y HA 0.372 4.923 4.550 0.002 0.000 0.326 1032 Y C 1.331 177.299 175.900 0.113 0.000 1.384 1032 Y CA -0.268 57.802 58.100 -0.050 0.000 1.077 1032 Y CB 0.677 39.090 38.460 -0.079 0.000 1.395 1032 Y HN 0.715 nan 8.280 nan 0.000 0.451 1033 E N 1.115 121.455 120.200 0.233 0.000 2.455 1033 E HA 0.085 4.436 4.350 0.002 0.000 0.202 1033 E C 0.991 177.767 176.600 0.293 0.000 1.045 1033 E CA 1.429 57.930 56.400 0.169 0.000 0.872 1033 E CB -0.469 29.296 29.700 0.109 0.000 0.792 1033 E HN 0.948 nan 8.360 nan 0.000 0.542 1034 G N 1.310 110.302 108.800 0.320 0.000 2.520 1034 G HA2 -0.178 3.783 3.960 0.002 0.000 0.248 1034 G HA3 -0.178 3.783 3.960 0.002 0.000 0.248 1034 G C -0.317 174.543 174.900 -0.066 0.000 1.161 1034 G CA 0.231 45.326 45.100 -0.007 0.000 0.946 1034 G HN 0.642 nan 8.290 nan 0.000 0.565 1035 F N -1.869 118.051 119.950 -0.050 0.000 2.639 1035 F HA 0.784 5.312 4.527 0.002 0.000 0.320 1035 F C -1.076 174.440 175.800 -0.472 0.000 1.128 1035 F CA -1.678 56.233 58.000 -0.148 0.000 1.037 1035 F CB 0.625 39.634 39.000 0.014 0.000 1.288 1035 F HN 0.952 nan 8.300 nan 0.000 0.463 1036 L N 5.166 126.291 121.223 -0.165 0.000 2.379 1036 L HA 0.848 5.189 4.340 0.002 0.000 0.269 1036 L C -0.742 176.096 176.870 -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 2.801 123.274 120.570 -0.161 0.000 2.686 1037 I HA 0.348 4.519 4.170 0.002 0.000 0.280 1037 I C -1.501 174.406 176.117 -0.350 0.000 1.322 1037 I CA -0.271 60.819 61.300 -0.351 0.000 1.107 1037 I CB 1.080 38.730 38.000 -0.583 0.000 1.366 1037 I HN 0.713 nan 8.210 nan 0.000 0.443 1038 N N 5.279 123.776 118.700 -0.337 0.000 2.434 1038 N HA 0.730 5.471 4.740 0.002 0.000 0.266 1038 N C -1.468 173.885 175.510 -0.261 0.000 1.223 1038 N CA 0.090 52.988 53.050 -0.255 0.000 0.972 1038 N CB 0.972 39.321 38.487 -0.231 0.000 1.207 1038 N HN 0.590 nan 8.380 nan 0.000 0.525 1039 Y N -2.047 118.066 120.300 -0.311 0.000 2.656 1039 Y HA 0.539 5.090 4.550 0.002 0.000 0.334 1039 Y C -1.821 173.975 175.900 -0.173 0.000 1.179 1039 Y CA -1.080 56.842 58.100 -0.297 0.000 1.050 1039 Y CB 1.066 39.362 38.460 -0.273 0.000 1.308 1039 Y HN 0.644 nan 8.280 nan 0.000 0.456 1040 E N 1.961 122.071 120.200 -0.150 0.000 2.401 1040 E HA 0.737 5.088 4.350 0.002 0.000 0.280 1040 E C -1.703 174.942 176.600 0.076 0.000 1.039 1040 E CA -1.268 55.030 56.400 -0.170 0.000 0.814 1040 E CB 1.893 31.525 29.700 -0.112 0.000 1.275 1040 E HN 1.101 nan 8.360 nan 0.000 0.448 1041 A N 1.868 124.728 122.820 0.068 0.000 2.351 1041 A HA 0.679 5.000 4.320 0.002 0.000 0.257 1041 A C -0.297 177.367 177.584 0.133 0.000 1.087 1041 A CA -0.372 51.755 52.037 0.150 0.000 0.798 1041 A CB 0.288 19.380 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 0.002 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 -0.018 0.000 1.050 1042 I CB 2.144 40.119 38.000 -0.042 0.000 1.264 1042 I HN 0.688 nan 8.210 nan 0.000 0.429 1043 S N 3.869 119.310 115.700 -0.432 0.000 2.562 1043 S HA 0.309 4.780 4.470 0.002 0.000 0.281 1043 S C 1.111 175.478 174.600 -0.389 0.000 1.333 1043 S CA 0.424 58.175 58.200 -0.748 0.000 1.052 1043 S CB 1.381 64.301 63.200 -0.466 0.000 0.884 1043 S HN 0.715 nan 8.310 nan 0.000 0.506 1044 A N 4.453 127.079 122.820 -0.322 0.000 2.123 1044 A HA 0.375 4.696 4.320 0.002 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 18.029 19.000 -0.091 0.000 0.814 1044 A HN 1.035 nan 8.150 nan 0.000 0.464 1045 A N -0.118 122.647 122.820 -0.092 0.000 1.825 1045 A HA -0.079 4.242 4.320 0.002 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 0.649 115.143 114.554 -0.100 0.000 3.093 1046 T HA 0.190 4.541 4.350 0.002 0.000 0.270 1046 T C 0.706 175.096 174.700 -0.518 0.000 1.170 1046 T CA 0.799 62.678 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 0.614 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 4.829 4.320 0.002 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 -0.300 18.585 19.000 -0.192 0.000 1.147 1047 A HN 0.598 nan 8.150 nan 0.000 0.524 1048 c N 4.822 123.277 118.600 -0.241 0.000 2.273 1048 c HA 0.851 5.422 4.570 0.002 0.000 0.328 1048 c C -0.721 173.241 174.090 -0.212 0.000 1.275 1048 c CA -0.590 55.654 56.329 -0.142 0.000 1.704 1048 c CB -1.326 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 6.915 128.022 121.223 -0.194 0.000 2.588 1049 L HA 0.503 4.844 4.340 0.002 0.000 0.263 1049 L C -1.025 175.725 176.870 -0.201 0.000 0.935 1049 L CA -0.323 54.388 54.840 -0.214 0.000 0.891 1049 L CB 1.829 43.792 42.059 -0.161 0.000 1.318 1049 L HN 0.825 nan 8.230 nan 0.000 0.409 1050 Q N 0.894 120.550 119.800 -0.240 0.000 2.289 1050 Q HA 0.560 4.901 4.340 0.002 0.000 0.270 1050 Q C -1.960 173.848 176.000 -0.320 0.000 1.038 1050 Q CA -0.986 54.651 55.803 -0.277 0.000 0.812 1050 Q CB 3.025 31.594 28.738 -0.281 0.000 1.300 1050 Q HN 0.373 nan 8.270 nan 0.000 0.427 1051 D N 1.900 122.087 120.400 -0.356 0.000 2.175 1051 D HA 0.480 5.121 4.640 0.002 0.000 0.248 1051 D C -1.254 174.792 176.300 -0.423 0.000 1.047 1051 D CA 0.128 53.966 54.000 -0.269 0.000 0.883 1051 D CB 0.826 41.539 40.800 -0.144 0.000 1.180 1051 D HN 0.356 nan 8.370 nan 0.000 0.438 1052 Y N -0.662 119.608 120.300 -0.050 0.000 2.499 1052 Y HA 0.416 4.967 4.550 0.002 0.000 0.347 1052 Y C 1.216 177.139 175.900 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 -4.704 110.066 114.554 0.361 0.000 3.154 1053 T HA 0.023 4.374 4.350 0.002 0.000 0.258 1053 T C 0.460 175.388 174.700 0.379 0.000 0.899 1053 T CA -0.000 62.279 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 2.891 123.495 120.400 0.339 0.000 2.420 1054 D HA 0.053 4.694 4.640 0.002 0.000 0.233 1054 D C -0.009 176.284 176.300 -0.010 0.000 1.017 1054 D CA 0.826 54.910 54.000 0.141 0.000 0.951 1054 D CB -0.585 40.270 40.800 0.091 0.000 0.877 1054 D HN 0.462 nan 8.370 nan 0.000 0.528 1055 D N -0.820 119.573 120.400 -0.010 0.000 2.945 1055 D HA -0.197 4.444 4.640 0.002 0.000 0.225 1055 D C -0.449 175.380 176.300 -0.785 0.000 1.158 1055 D CA 0.510 54.334 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 -0.490 119.964 121.223 -1.282 0.000 2.439 1056 L HA 0.563 4.904 4.340 0.002 0.000 0.270 1056 L C 1.074 177.220 176.870 -1.208 0.000 0.972 1056 L CA -0.923 53.347 54.840 -0.949 0.000 0.836 1056 L CB 2.241 44.067 42.059 -0.387 0.000 1.255 1056 L HN 0.006 nan 8.230 nan 0.000 0.404 1057 G N 0.228 108.441 108.800 -0.979 0.000 2.985 1057 G HA2 0.237 4.198 3.960 0.002 0.000 0.282 1057 G HA3 0.237 4.198 3.960 0.002 0.000 0.282 1057 G C 0.826 175.766 174.900 0.067 0.000 0.791 1057 G CA -0.013 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 0.269 4.620 4.350 0.002 0.000 0.251 1058 T C 0.335 175.094 174.700 0.098 0.000 1.039 1058 T CA -0.669 61.481 62.100 0.085 0.000 0.935 1058 T CB -0.636 68.309 68.868 0.127 0.000 1.034 1058 T HN 0.384 nan 8.240 nan 0.000 0.575 1059 F N 0.630 120.510 119.950 -0.117 0.000 2.421 1059 F HA 0.786 5.314 4.527 0.002 0.000 0.337 1059 F C -0.615 175.056 175.800 -0.216 0.000 1.105 1059 F CA -0.625 57.254 58.000 -0.202 0.000 1.049 1059 F CB 1.928 40.649 39.000 -0.464 0.000 1.139 1059 F HN -0.102 nan 8.300 nan 0.000 0.479 1060 T N 2.515 116.842 114.554 -0.378 0.000 3.012 1060 T HA 0.315 4.666 4.350 0.002 0.000 0.330 1060 T C -0.939 173.339 174.700 -0.703 0.000 1.321 1060 T CA -0.636 61.036 62.100 -0.713 0.000 1.067 1060 T CB 1.397 69.977 68.868 -0.479 0.000 1.235 1060 T HN 0.988 nan 8.240 nan 0.000 0.479 1061 S N 3.645 118.442 115.700 -1.504 0.000 2.566 1061 S HA 0.307 4.778 4.470 0.002 0.000 0.280 1061 S C -2.560 171.744 174.600 -0.493 0.000 1.343 1061 S CA -0.730 56.715 58.200 -1.260 0.000 1.036 1061 S CB -0.175 62.085 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 0.547 63.546 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 -0.550 118.085 118.700 -0.108 0.000 2.946 1063 N HA -0.244 4.497 4.740 0.002 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 -1.959 36.446 38.487 -0.137 0.000 1.047 1063 N HN 0.453 nan 8.380 nan 0.000 0.612 1064 F N 3.410 123.247 119.950 -0.189 0.000 2.629 1064 F HA 0.080 4.608 4.527 0.002 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 -0.452 176.468 177.300 -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 -1.058 0.000 0.994 1066 N N 1.126 119.601 118.700 -0.375 0.000 2.297 1066 N HA 0.006 4.747 4.740 0.002 0.000 0.232 1066 N C 0.194 175.574 175.510 -0.216 0.000 1.311 1066 N CA 0.257 53.159 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 0.687 119.265 118.700 -0.204 0.000 2.497 1067 N HA 0.017 4.758 4.740 0.002 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 0.011 38.336 38.487 -0.269 0.000 1.069 1067 N HN 0.326 nan 8.380 nan 0.000 0.460 1068 Y N 1.493 121.740 120.300 -0.088 0.000 2.426 1068 Y HA 0.491 5.042 4.550 0.002 0.000 0.344 1068 Y C -2.389 173.456 175.900 -0.091 0.000 1.256 1068 Y CA -2.499 55.531 58.100 -0.116 0.000 1.451 1068 Y CB -0.863 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 -0.501 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 0.364 119.181 118.700 0.195 0.000 2.508 1070 N HA 0.137 4.878 4.740 0.002 0.000 0.285 1070 N C 0.197 175.867 175.510 0.267 0.000 1.144 1070 N CA -0.219 52.965 53.050 0.222 0.000 0.978 1070 N CB -0.235 38.336 38.487 0.140 0.000 1.180 1070 N HN 0.402 nan 8.380 nan 0.000 0.484 1071 N N -1.024 117.795 118.700 0.197 0.000 2.713 1071 N HA -0.209 4.532 4.740 0.002 0.000 0.251 1071 N C -0.929 174.697 175.510 0.194 0.000 1.117 1071 N CA 0.664 53.805 53.050 0.152 0.000 0.770 1071 N CB -0.638 37.924 38.487 0.126 0.000 1.137 1071 N HN 0.556 nan 8.380 nan 0.000 0.566 1072 W N 1.255 122.553 121.300 -0.004 0.000 2.202 1072 W HA 0.278 4.939 4.660 0.002 0.000 0.332 1072 W C 0.612 177.083 176.519 -0.080 0.000 1.263 1072 W CA -0.021 57.325 57.345 0.002 0.000 1.223 1072 W CB 0.708 30.232 29.460 0.106 0.000 1.128 1072 W HN 0.079 nan 8.180 nan 0.000 0.573 1073 E N 2.955 122.935 120.200 -0.368 0.000 2.343 1073 E HA 0.506 4.857 4.350 0.002 0.000 0.270 1073 E C -1.796 174.632 176.600 -0.287 0.000 0.895 1073 E CA -0.597 55.646 56.400 -0.261 0.000 0.767 1073 E CB 2.361 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 4.804 123.346 118.600 -0.097 0.000 3.094 1074 c HA 0.512 5.083 4.570 0.002 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 0.766 nan 8.230 nan 0.000 0.564 1075 I N 4.706 125.048 120.570 -0.380 0.000 2.603 1075 I HA 0.533 4.704 4.170 0.002 0.000 0.300 1075 I C -1.171 174.625 176.117 -0.535 0.000 1.017 1075 I CA -0.650 60.407 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 4.125 124.233 120.300 -0.321 0.000 2.333 1076 Y HA 0.433 4.984 4.550 0.002 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 -0.212 0.000 1.224 1076 Y CB 1.198 39.570 38.460 -0.147 0.000 1.120 1076 Y HN 0.413 nan 8.280 nan 0.000 0.457 1077 R N 3.466 123.913 120.500 -0.088 0.000 2.457 1077 R HA 0.777 5.118 4.340 0.002 0.000 0.284 1077 R C -0.947 175.296 176.300 -0.095 0.000 1.024 1077 R CA -0.929 55.132 56.100 -0.066 0.000 1.025 1077 R CB 1.281 31.582 30.300 0.002 0.000 1.063 1077 R HN 0.717 nan 8.270 nan 0.000 0.493 1078 I N -2.027 118.437 120.570 -0.176 0.000 2.534 1078 I HA 0.426 4.597 4.170 0.002 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 40.146 38.000 -0.650 0.000 1.225 1078 I HN 0.485 nan 8.210 nan 0.000 0.435 1079 T N 5.392 119.899 114.554 -0.078 0.000 2.952 1079 T HA 0.894 5.245 4.350 0.002 0.000 0.286 1079 T C 0.161 174.879 174.700 0.031 0.000 1.024 1079 T CA -0.428 61.666 62.100 -0.011 0.000 1.029 1079 T CB 2.066 70.947 68.868 0.022 0.000 1.094 1079 T HN 0.847 nan 8.240 nan 0.000 0.515 1080 V N -1.632 118.317 119.914 0.057 0.000 3.087 1080 V HA 0.620 4.741 4.120 0.002 0.000 0.312 1080 V C -0.727 175.384 176.094 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 0.331 4.672 4.340 0.002 0.000 0.277 1081 R C 1.203 177.442 176.300 -0.102 0.000 1.039 1081 R CA 0.708 56.782 56.100 -0.044 0.000 1.065 1081 R CB 0.474 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 1.578 115.996 114.554 -0.227 0.000 2.881 1082 T HA -0.128 4.223 4.350 0.002 0.000 0.270 1082 T C 1.835 176.415 174.700 -0.201 0.000 1.068 1082 T CA 1.373 63.239 62.100 -0.389 0.000 1.131 1082 T CB -0.097 68.319 68.868 -0.753 0.000 0.871 1082 T HN 0.865 nan 8.240 nan 0.000 0.479 1083 G N 1.107 109.829 108.800 -0.130 0.000 2.484 1083 G HA2 -0.108 3.853 3.960 0.002 0.000 0.215 1083 G HA3 -0.108 3.853 3.960 0.002 0.000 0.215 1083 G C 0.825 175.698 174.900 -0.045 0.000 1.219 1083 G CA 0.406 45.461 45.100 -0.075 0.000 0.791 1083 G HN 0.370 nan 8.290 nan 0.000 0.550 1084 Q N -0.647 119.137 119.800 -0.027 0.000 2.526 1084 Q HA 0.614 4.955 4.340 0.002 0.000 0.207 1084 Q C -0.034 175.967 176.000 0.001 0.000 1.078 1084 Q CA 0.021 55.821 55.803 -0.005 0.000 1.041 1084 Q CB 0.700 29.448 28.738 0.015 0.000 1.228 1084 Q HN 0.296 nan 8.270 nan 0.000 0.603 1085 L N 0.423 121.647 121.223 0.002 0.000 2.330 1085 L HA 0.509 4.850 4.340 0.002 0.000 0.271 1085 L C -0.701 176.179 176.870 0.017 0.000 1.013 1085 L CA -0.920 53.916 54.840 -0.006 0.000 0.816 1085 L CB 1.201 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 1.583 122.156 120.570 0.004 0.000 2.396 1086 I HA 0.508 4.679 4.170 0.002 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 0.577 nan 8.210 nan 0.000 0.496 1087 A N 5.990 128.813 122.820 0.005 0.000 2.466 1087 A HA 0.618 4.939 4.320 0.002 0.000 0.291 1087 A C -0.894 176.571 177.584 -0.198 0.000 1.234 1087 A CA -0.602 51.373 52.037 -0.103 0.000 0.752 1087 A CB 1.113 20.075 19.000 -0.063 0.000 1.153 1087 A HN 0.562 nan 8.150 nan 0.000 0.458 1088 V N 4.759 124.507 119.914 -0.277 0.000 2.407 1088 V HA 0.554 4.675 4.120 0.002 0.000 0.278 1088 V C -0.597 175.168 176.094 -0.548 0.000 1.037 1088 V CA -0.312 61.795 62.300 -0.321 0.000 0.900 1088 V CB 0.770 32.447 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 5.009 4.556 0.002 0.000 0.348 1089 H C -1.290 173.706 175.328 -0.553 0.000 1.152 1089 H CA -0.349 55.395 56.048 -0.507 0.000 1.202 1089 H CB 1.836 31.150 29.762 -0.747 0.000 1.562 1089 H HN 0.635 nan 8.280 nan 0.000 0.515 1090 F N 0.402 120.310 119.950 -0.069 0.000 2.443 1090 F HA 0.152 4.680 4.527 0.002 0.000 0.335 1090 F C 1.296 177.155 175.800 0.098 0.000 1.104 1090 F CA -0.402 57.595 58.000 -0.004 0.000 1.013 1090 F CB 1.928 40.920 39.000 -0.013 0.000 1.136 1090 F HN 0.494 nan 8.300 nan 0.000 0.470 1091 T N 0.048 114.751 114.554 0.248 0.000 2.980 1091 T HA 0.079 4.430 4.350 0.002 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 0.193 118.998 118.700 0.174 0.000 2.370 1092 N HA 0.581 5.322 4.740 0.002 0.000 0.303 1092 N C -1.979 173.739 175.510 0.345 0.000 1.103 1092 N CA -0.389 52.805 53.050 0.239 0.000 0.848 1092 N CB 2.402 41.069 38.487 0.299 0.000 1.235 1092 N HN 0.224 nan 8.380 nan 0.000 0.496 1093 F N 1.474 121.542 119.950 0.197 0.000 3.588 1093 F HA 0.086 4.614 4.527 0.002 0.000 0.396 1093 F C -1.189 174.710 175.800 0.165 0.000 1.213 1093 F CA -0.422 57.689 58.000 0.186 0.000 1.387 1093 F CB 0.725 39.734 39.000 0.015 0.000 2.059 1093 F HN 0.274 nan 8.300 nan 0.000 0.754 1094 S N 7.470 123.396 115.700 0.378 0.000 2.756 1094 S HA 0.760 5.231 4.470 0.002 0.000 0.303 1094 S C -1.706 173.094 174.600 0.334 0.000 1.135 1094 S CA -0.418 57.999 58.200 0.362 0.000 1.066 1094 S CB 0.851 64.194 63.200 0.238 0.000 1.008 1094 S HN 0.621 nan 8.310 nan 0.000 0.482 1095 L N 2.885 124.364 121.223 0.427 0.000 2.350 1095 L HA 0.554 4.895 4.340 0.002 0.000 0.260 1095 L C 0.301 177.424 176.870 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 44.378 42.059 0.479 0.000 1.370 1095 L HN 0.738 nan 8.230 nan 0.000 0.416 1096 E N 1.575 122.020 120.200 0.408 0.000 2.508 1096 E HA -0.061 4.290 4.350 0.002 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 0.868 121.219 120.200 0.253 0.000 2.392 1097 E HA 0.208 4.559 4.350 0.002 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 2.325 125.241 122.820 0.160 0.000 2.320 1098 A HA 0.305 4.626 4.320 0.002 0.000 0.287 1098 A C 0.025 177.606 177.584 -0.004 0.000 1.181 1098 A CA -0.616 51.407 52.037 -0.024 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 3.449 124.021 120.570 0.003 0.000 2.483 1099 I HA 0.267 4.438 4.170 0.002 0.000 0.291 1099 I C 1.399 177.526 176.117 0.017 0.000 1.112 1099 I CA 1.277 62.577 61.300 -0.001 0.000 1.350 1099 I CB -1.494 36.483 38.000 -0.038 0.000 1.419 1099 I HN 1.075 nan 8.210 nan 0.000 0.523 1100 G N 7.448 116.250 108.800 0.003 0.000 2.614 1100 G HA2 -0.345 3.616 3.960 0.002 0.000 0.303 1100 G HA3 -0.345 3.616 3.960 0.002 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 0.537 119.184 118.700 -0.089 0.000 2.314 1101 N HA 0.167 4.908 4.740 0.002 0.000 0.200 1101 N C -0.154 175.044 175.510 -0.520 0.000 1.135 1101 N CA 0.322 53.182 53.050 -0.316 0.000 0.835 1101 N CB 0.087 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 0.018 120.092 120.300 -0.378 0.000 2.310 1102 Y HA 0.213 4.764 4.550 0.002 0.000 0.326 1102 Y C -0.018 175.640 175.900 -0.404 0.000 1.151 1102 Y CA -0.738 57.161 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 1.028 121.323 120.300 -0.008 0.000 2.326 1103 Y HA 0.336 4.887 4.550 0.002 0.000 0.337 1103 Y C 0.424 176.400 175.900 0.127 0.000 1.023 1103 Y CA -1.185 56.905 58.100 -0.016 0.000 1.143 1103 Y CB 1.053 39.484 38.460 -0.049 0.000 1.183 1103 Y HN 0.489 nan 8.280 nan 0.000 0.485 1104 T N 0.309 115.033 114.554 0.284 0.000 2.824 1104 T HA 0.469 4.820 4.350 0.002 0.000 0.280 1104 T C -1.186 173.697 174.700 0.305 0.000 0.995 1104 T CA -1.083 61.171 62.100 0.257 0.000 1.009 1104 T CB 1.068 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 1.274 121.797 120.400 0.206 0.000 8.600 1105 D HA -0.100 4.541 4.640 0.002 0.000 0.290 1105 D C -0.428 175.989 176.300 0.196 0.000 2.341 1105 D CA 1.263 55.272 54.000 0.016 0.000 2.146 1105 D CB -1.001 39.874 40.800 0.125 0.000 0.949 1105 D HN 0.736 nan 8.370 nan 0.000 0.665 1106 F N -0.812 119.122 119.950 -0.027 0.000 2.745 1106 F HA 0.745 5.273 4.527 0.002 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 1.888 123.388 121.223 0.462 0.000 2.427 1107 L HA 0.440 4.781 4.340 0.002 0.000 0.264 1107 L C -0.659 176.472 176.870 0.434 0.000 0.989 1107 L CA -0.266 54.785 54.840 0.351 0.000 0.865 1107 L CB 1.332 43.473 42.059 0.136 0.000 1.209 1107 L HN 0.800 nan 8.230 nan 0.000 0.430 1108 E N 4.845 125.299 120.200 0.423 0.000 2.265 1108 E HA 0.305 4.656 4.350 0.002 0.000 0.272 1108 E C -0.962 175.804 176.600 0.276 0.000 1.067 1108 E CA -0.044 56.552 56.400 0.326 0.000 0.900 1108 E CB 0.530 30.444 29.700 0.358 0.000 1.017 1108 E HN 0.600 nan 8.360 nan 0.000 0.431 1109 I N 5.678 126.434 120.570 0.311 0.000 2.355 1109 I HA 0.365 4.536 4.170 0.002 0.000 0.288 1109 I C 0.204 176.493 176.117 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 4.586 4.340 0.002 0.000 0.278 1110 R C 0.219 176.665 176.300 0.243 0.000 0.976 1110 R CA -0.818 55.471 56.100 0.314 0.000 0.963 1110 R CB 1.770 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 0.788 121.309 120.400 0.202 0.000 2.249 1111 D HA 0.007 4.648 4.640 0.002 0.000 0.205 1111 D C 0.968 177.379 176.300 0.185 0.000 0.962 1111 D CA 0.914 55.038 54.000 0.206 0.000 0.860 1111 D CB 0.251 41.192 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 4.374 3.960 0.002 0.000 0.159 1112 G HA3 0.413 4.374 3.960 0.002 0.000 0.159 1112 G C 0.680 175.627 174.900 0.077 0.000 1.525 1112 G CA 0.112 45.295 45.100 0.138 0.000 1.075 1112 G HN 0.192 nan 8.290 nan 0.000 0.574 1113 G N -1.630 107.131 108.800 -0.065 0.000 3.969 1113 G HA2 0.521 4.482 3.960 0.002 0.000 0.291 1113 G HA3 0.521 4.482 3.960 0.002 0.000 0.291 1113 G C -0.813 173.633 174.900 -0.756 0.000 1.016 1113 G CA -0.129 44.776 45.100 -0.326 0.000 0.819 1113 G HN 0.291 nan 8.290 nan 0.000 0.493 1114 Y N -0.774 119.382 120.300 -0.241 0.000 2.615 1114 Y HA 0.286 4.837 4.550 0.002 0.000 0.341 1114 Y C 0.958 176.153 175.900 -1.175 0.000 1.089 1114 Y CA -1.369 56.375 58.100 -0.592 0.000 1.049 1114 Y CB 1.239 39.484 38.460 -0.359 0.000 1.296 1114 Y HN 0.193 nan 8.280 nan 0.000 0.470 1115 E N -0.203 119.288 120.200 -1.182 0.000 2.515 1115 E HA -0.025 4.326 4.350 0.002 0.000 0.201 1115 E C 0.320 176.489 176.600 -0.719 0.000 1.071 1115 E CA 1.043 56.505 56.400 -1.563 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 0.405 120.552 120.400 -0.422 0.000 2.517 1116 K HA 0.169 4.490 4.320 0.002 0.000 0.210 1116 K C -0.431 176.104 176.600 -0.110 0.000 1.166 1116 K CA -0.183 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 2.952 118.595 115.700 -0.096 0.000 2.566 1117 S HA 0.081 4.552 4.470 0.002 0.000 0.280 1117 S C -2.437 172.190 174.600 0.045 0.000 1.343 1117 S CA -0.816 57.395 58.200 0.019 0.000 1.036 1117 S CB 0.057 63.298 63.200 0.068 0.000 0.866 1117 S HN 0.010 nan 8.310 nan 0.000 0.526 1118 P HA -0.004 nan 4.420 nan 0.000 0.268 1118 P C -0.676 176.684 177.300 0.099 0.000 1.189 1118 P CA -0.219 62.923 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 4.194 125.466 121.223 0.081 0.000 2.270 1119 L HA 0.169 4.510 4.340 0.002 0.000 0.286 1119 L C 0.881 177.819 176.870 0.112 0.000 1.059 1119 L CA 0.177 55.076 54.840 0.097 0.000 0.839 1119 L CB -0.468 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 4.076 125.398 121.223 0.164 0.000 2.131 1120 L HA 0.150 4.491 4.340 0.002 0.000 0.210 1120 L C 0.993 177.971 176.870 0.181 0.000 1.092 1120 L CA 0.979 55.932 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 -0.844 108.046 108.800 0.150 0.000 2.368 1121 G HA2 0.249 4.210 3.960 0.002 0.000 0.303 1121 G HA3 0.249 4.210 3.960 0.002 0.000 0.303 1121 G C -1.480 173.366 174.900 -0.091 0.000 1.590 1121 G CA -0.864 44.190 45.100 -0.077 0.000 0.938 1121 G HN -0.099 nan 8.290 nan 0.000 0.675 1122 I N 0.147 120.495 120.570 -0.370 0.000 2.441 1122 I HA 0.673 4.844 4.170 0.002 0.000 0.295 1122 I C -0.819 175.065 176.117 -0.387 0.000 0.994 1122 I CA -0.799 60.374 61.300 -0.212 0.000 1.144 1122 I CB 1.820 39.613 38.000 -0.344 0.000 1.314 1122 I HN 0.335 nan 8.210 nan 0.000 0.445 1123 F N 5.378 125.428 119.950 0.168 0.000 2.556 1123 F HA 0.572 5.100 4.527 0.002 0.000 0.314 1123 F C -0.298 175.744 175.800 0.403 0.000 1.106 1123 F CA -0.624 57.435 58.000 0.099 0.000 0.911 1123 F CB 1.622 40.553 39.000 -0.115 0.000 1.190 1123 F HN 0.390 nan 8.300 nan 0.000 0.448 1124 Y N -0.171 120.372 120.300 0.406 0.000 2.896 1124 Y HA 0.874 5.425 4.550 0.002 0.000 0.317 1124 Y C 0.578 176.716 175.900 0.397 0.000 1.444 1124 Y CA -1.353 57.030 58.100 0.472 0.000 1.084 1124 Y CB 0.231 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 3.712 3.960 0.002 0.000 0.288 1125 G HA3 -0.249 3.712 3.960 0.002 0.000 0.288 1125 G C 0.390 175.485 174.900 0.324 0.000 1.247 1125 G CA 0.629 45.954 45.100 0.376 0.000 0.972 1125 G HN 1.207 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 0.242 4.713 4.470 0.002 0.000 0.247 1126 S C 0.286 174.915 174.600 0.049 0.000 1.043 1126 S CA 0.021 58.325 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 1.969 120.597 118.700 -0.120 0.000 2.499 1127 N HA 0.290 5.031 4.740 0.002 0.000 0.281 1127 N C -0.607 174.668 175.510 -0.392 0.000 1.098 1127 N CA -0.255 52.678 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 4.479 4.340 0.002 0.000 0.272 1128 L C -1.673 174.938 176.870 -0.431 0.000 1.149 1128 L CA -1.204 53.455 54.840 -0.302 0.000 0.897 1128 L CB -0.017 41.998 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 -0.674 61.977 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 -0.420 176.848 177.300 -0.054 0.000 1.264 1130 P CA -0.033 63.030 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 1.290 115.818 114.554 -0.043 0.000 2.870 1131 T HA 0.220 4.571 4.350 0.002 0.000 0.300 1131 T C 0.378 175.007 174.700 -0.119 0.000 0.989 1131 T CA 0.042 62.059 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 0.097 nan 8.240 nan 0.000 0.537 1132 I N 4.374 124.861 120.570 -0.138 0.000 2.385 1132 I HA 0.424 4.595 4.170 0.002 0.000 0.294 1132 I C 0.012 176.059 176.117 -0.117 0.000 0.988 1132 I CA -0.828 60.426 61.300 -0.077 0.000 1.265 1132 I CB 0.998 38.981 38.000 -0.028 0.000 1.388 1132 I HN 0.429 nan 8.210 nan 0.000 0.480 1133 I N 4.291 124.810 120.570 -0.086 0.000 2.533 1133 I HA 0.305 4.476 4.170 0.002 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 4.336 119.953 115.700 -0.138 0.000 2.607 1134 S HA 0.427 4.898 4.470 0.002 0.000 0.272 1134 S C 0.237 174.654 174.600 -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 -1.446 117.655 119.070 0.053 0.000 3.052 1135 H HA 0.604 5.161 4.556 0.002 0.000 0.257 1135 H C -0.093 175.232 175.328 -0.004 0.000 1.193 1135 H CA 0.046 56.100 56.048 0.010 0.000 1.072 1135 H CB 0.617 30.457 29.762 0.130 0.000 1.685 1135 H HN 0.466 nan 8.280 nan 0.000 0.630 1136 S N 0.066 115.839 115.700 0.121 0.000 2.752 1136 S HA 0.158 4.629 4.470 0.002 0.000 0.284 1136 S C -0.215 174.436 174.600 0.085 0.000 1.189 1136 S CA -0.654 57.617 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 0.869 119.638 118.700 0.116 0.000 2.270 1137 N HA 0.171 4.912 4.740 0.002 0.000 0.198 1137 N C -0.480 175.069 175.510 0.064 0.000 1.117 1137 N CA -0.058 53.042 53.050 0.084 0.000 0.845 1137 N CB 0.017 38.558 38.487 0.089 0.000 0.980 1137 N HN 0.315 nan 8.380 nan 0.000 0.486 1138 K N 0.634 121.074 120.400 0.066 0.000 2.207 1138 K HA 0.517 4.838 4.320 0.002 0.000 0.255 1138 K C -0.912 175.693 176.600 0.007 0.000 0.941 1138 K CA -0.610 55.687 56.287 0.017 0.000 0.825 1138 K CB 2.463 34.969 32.500 0.009 0.000 1.119 1138 K HN -0.025 nan 8.250 nan 0.000 0.430 1139 L N 1.821 123.019 121.223 -0.041 0.000 2.409 1139 L HA 0.502 4.843 4.340 0.002 0.000 0.262 1139 L C -1.668 175.225 176.870 0.038 0.000 0.992 1139 L CA -0.919 53.908 54.840 -0.020 0.000 0.817 1139 L CB 2.068 44.035 42.059 -0.153 0.000 1.350 1139 L HN 0.735 nan 8.230 nan 0.000 0.411 1140 W N 4.732 125.984 121.300 -0.080 0.000 2.781 1140 W HA 0.691 5.352 4.660 0.002 0.000 0.333 1140 W C -1.963 174.571 176.519 0.024 0.000 1.047 1140 W CA -0.334 56.985 57.345 -0.043 0.000 1.236 1140 W CB 1.233 30.672 29.460 -0.034 0.000 1.394 1140 W HN 0.180 nan 8.180 nan 0.000 0.466 1141 L N 5.745 126.556 121.223 -0.686 0.000 2.388 1141 L HA 0.592 4.933 4.340 0.002 0.000 0.264 1141 L C -0.612 175.863 176.870 -0.658 0.000 0.998 1141 L CA -1.286 53.285 54.840 -0.447 0.000 0.817 1141 L CB 2.333 44.296 42.059 -0.159 0.000 1.338 1141 L HN 0.366 nan 8.230 nan 0.000 0.414 1142 K N 2.269 122.489 120.400 -0.299 0.000 2.513 1142 K HA 0.432 4.753 4.320 0.002 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 2.494 34.906 32.500 -0.146 0.000 1.241 1142 K HN 0.448 nan 8.250 nan 0.000 0.431 1143 F N 4.831 124.800 119.950 0.031 0.000 2.403 1143 F HA 0.462 4.990 4.527 0.002 0.000 0.355 1143 F C -0.868 174.780 175.800 -0.254 0.000 1.119 1143 F CA -0.634 57.333 58.000 -0.055 0.000 1.007 1143 F CB 0.900 40.037 39.000 0.228 0.000 1.194 1143 F HN 0.213 nan 8.300 nan 0.000 0.443 1144 K N 3.736 123.364 120.400 -1.288 0.000 2.164 1144 K HA 0.520 4.841 4.320 0.002 0.000 0.258 1144 K C -0.869 175.016 176.600 -1.192 0.000 0.951 1144 K CA -0.415 55.209 56.287 -1.105 0.000 0.844 1144 K CB 1.867 33.784 32.500 -0.972 0.000 1.099 1144 K HN 0.743 nan 8.250 nan 0.000 0.435 1145 S N 0.687 116.003 115.700 -0.640 0.000 2.536 1145 S HA 0.510 4.981 4.470 0.002 0.000 0.287 1145 S C -0.542 174.018 174.600 -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 1.564 121.976 120.400 0.019 0.000 2.511 1146 D HA 0.266 4.907 4.640 0.002 0.000 0.276 1146 D C 0.977 177.330 176.300 0.087 0.000 1.220 1146 D CA -0.608 53.431 54.000 0.064 0.000 1.077 1146 D CB -0.065 40.786 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 4.397 4.340 0.002 0.000 0.207 1147 Q C 0.065 176.108 176.000 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 -0.676 119.940 120.570 0.076 0.000 3.074 1148 I HA 0.280 4.451 4.170 0.002 0.000 0.310 1148 I C -1.078 175.089 176.117 0.085 0.000 1.153 1148 I CA -0.923 60.417 61.300 0.067 0.000 0.993 1148 I CB 2.142 40.172 38.000 0.049 0.000 1.237 1148 I HN 0.003 nan 8.210 nan 0.000 0.443 1149 D N 1.118 121.558 120.400 0.065 0.000 8.877 1149 D HA -0.086 4.555 4.640 0.002 0.000 0.270 1149 D C -1.043 175.301 176.300 0.073 0.000 2.474 1149 D CA 0.863 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 2.980 117.513 114.554 -0.035 0.000 2.903 1150 T HA 0.828 5.179 4.350 0.002 0.000 0.299 1150 T C -0.322 174.161 174.700 -0.361 0.000 1.093 1150 T CA -0.904 61.041 62.100 -0.258 0.000 1.002 1150 T CB 1.932 70.662 68.868 -0.230 0.000 1.127 1150 T HN 0.309 nan 8.240 nan 0.000 0.488 1151 R N 0.272 120.317 120.500 -0.758 0.000 3.145 1151 R HA 0.503 4.844 4.340 0.002 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 -0.124 30.143 30.300 -0.055 0.000 1.387 1151 R HN 0.686 nan 8.270 nan 0.000 0.466 1152 S N -0.762 114.869 115.700 -0.116 0.000 2.406 1152 S HA 0.150 4.621 4.470 0.002 0.000 0.224 1152 S C 1.156 175.864 174.600 0.181 0.000 1.030 1152 S CA 1.012 59.178 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 1.287 110.276 108.800 0.315 0.000 2.466 1153 G HA2 0.064 4.025 3.960 0.002 0.000 0.218 1153 G HA3 0.064 4.025 3.960 0.002 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 0.294 0.000 0.954 1153 G HN 1.303 nan 8.290 nan 0.000 0.580 1154 F N -1.163 118.635 119.950 -0.253 0.000 2.650 1154 F HA 0.916 5.444 4.527 0.002 0.000 0.320 1154 F C -0.084 175.178 175.800 -0.897 0.000 1.091 1154 F CA -0.607 57.120 58.000 -0.456 0.000 0.962 1154 F CB 1.933 40.652 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 5.347 4.470 0.002 0.000 0.274 1155 S C -1.416 172.929 174.600 -0.425 0.000 1.150 1155 S CA 0.152 57.886 58.200 -0.777 0.000 0.944 1155 S CB 1.082 63.696 63.200 -0.977 0.000 1.071 1155 S HN 1.716 nan 8.310 nan 0.000 0.479 1156 A N 3.047 125.473 122.820 -0.657 0.000 2.594 1156 A HA 0.910 5.231 4.320 0.002 0.000 0.291 1156 A C -1.470 176.041 177.584 -0.121 0.000 1.105 1156 A CA -0.817 50.891 52.037 -0.547 0.000 0.694 1156 A CB 0.965 19.188 19.000 -1.294 0.000 1.291 1156 A HN 1.534 nan 8.150 nan 0.000 0.410 1157 Y N -1.521 118.773 120.300 -0.009 0.000 2.693 1157 Y HA 0.950 5.501 4.550 0.002 0.000 0.331 1157 Y C -0.939 175.191 175.900 0.383 0.000 1.092 1157 Y CA -1.559 56.649 58.100 0.179 0.000 1.131 1157 Y CB 1.263 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 -0.226 121.140 121.300 0.111 0.000 3.296 1158 W HA 0.466 5.127 4.660 0.002 0.000 0.314 1158 W C -2.306 174.273 176.519 0.100 0.000 1.238 1158 W CA -1.136 56.218 57.345 0.015 0.000 1.193 1158 W CB 1.134 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 1.128 121.684 120.400 0.260 0.000 2.303 1159 D HA 0.398 5.039 4.640 0.002 0.000 0.236 1159 D C 0.661 177.060 176.300 0.166 0.000 1.068 1159 D CA -0.363 53.729 54.000 0.152 0.000 0.830 1159 D CB 1.903 42.797 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 0.335 4.296 3.960 0.002 0.000 0.268 1160 G HA3 0.335 4.296 3.960 0.002 0.000 0.268 1160 G C -0.296 174.643 174.900 0.065 0.000 1.172 1160 G CA -0.370 44.806 45.100 0.127 0.000 1.614 1160 G HN 0.245 nan 8.290 nan 0.000 0.639 1161 S N -0.380 115.354 115.700 0.055 0.000 2.614 1161 S HA 0.702 5.173 4.470 0.002 0.000 0.288 1161 S C 0.272 174.888 174.600 0.027 0.000 1.137 1161 S CA -0.246 57.974 58.200 0.034 0.000 0.992 1161 S CB 2.060 65.278 63.200 0.030 0.000 1.026 1161 S HN 0.454 nan 8.310 nan 0.000 0.486 1162 S N 1.750 117.460 115.700 0.017 0.000 2.013 1162 S HA -0.089 4.382 4.470 0.002 0.000 0.101 1162 S C 0.659 175.264 174.600 0.008 0.000 0.534 1162 S CA 1.008 59.216 58.200 0.013 0.000 1.602 1162 S CB -1.082 62.125 63.200 0.011 0.000 0.832 1162 S HN 1.160 nan 8.310 nan 0.000 0.378 1163 T N 0.828 115.382 114.554 -0.000 0.000 8.089 1163 T HA -0.149 4.202 4.350 0.002 0.000 0.315 1163 T C 0.885 175.576 174.700 -0.015 0.000 2.025 1163 T CA 1.715 63.808 62.100 -0.011 0.000 3.021 1163 T CB -2.218 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 -0.109 108.685 108.800 -0.010 0.000 2.634 1164 G HA2 0.468 4.429 3.960 0.002 0.000 0.255 1164 G HA3 0.468 4.429 3.960 0.002 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 1.539 nan 8.290 nan 0.000 0.549 1165 c N -0.625 117.909 118.600 -0.110 0.000 3.241 1165 c HA 0.881 5.452 4.570 0.002 0.000 0.348 1165 c C 0.491 174.366 174.090 -0.360 0.000 1.180 1165 c CA 0.777 57.002 56.329 -0.174 0.000 1.273 1165 c CB 0.830 43.266 42.510 -0.124 0.000 1.620 1165 c HN 2.813 nan 8.230 nan 0.000 0.510 1166 G N 1.755 110.279 108.800 -0.459 0.000 2.660 1166 G HA2 0.565 4.526 3.960 0.002 0.000 0.247 1166 G HA3 0.565 4.526 3.960 0.002 0.000 0.247 1166 G C 0.024 174.839 174.900 -0.142 0.000 1.328 1166 G CA 0.284 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 -2.149 106.689 108.800 0.063 0.000 2.489 1167 G HA2 0.550 4.511 3.960 0.002 0.000 0.305 1167 G HA3 0.550 4.511 3.960 0.002 0.000 0.305 1167 G C 0.082 175.090 174.900 0.179 0.000 1.311 1167 G CA 0.597 45.796 45.100 0.165 0.000 0.813 1167 G HN 0.932 nan 8.290 nan 0.000 0.480 1168 N N -0.590 118.194 118.700 0.140 0.000 2.398 1168 N HA 0.103 4.844 4.740 0.002 0.000 0.188 1168 N C 0.569 176.026 175.510 -0.090 0.000 1.122 1168 N CA -0.111 52.987 53.050 0.080 0.000 0.866 1168 N CB -0.243 38.295 38.487 0.085 0.000 0.970 1168 N HN 0.404 nan 8.380 nan 0.000 0.462 1169 L N 0.921 122.124 121.223 -0.033 0.000 3.469 1169 L HA -0.239 4.102 4.340 0.002 0.000 0.552 1169 L C 1.245 177.999 176.870 -0.194 0.000 1.007 1169 L CA 0.764 55.517 54.840 -0.144 0.000 1.100 1169 L CB -1.403 40.422 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 4.454 4.350 0.002 0.000 0.253 1170 T C 0.833 175.537 174.700 0.007 0.000 1.038 1170 T CA 0.732 62.789 62.100 -0.072 0.000 0.962 1170 T CB 0.008 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 -0.200 114.387 114.554 0.055 0.000 2.889 1171 T HA 0.302 4.653 4.350 0.002 0.000 0.291 1171 T C 1.287 176.085 174.700 0.162 0.000 0.995 1171 T CA -0.535 61.609 62.100 0.074 0.000 1.092 1171 T CB 1.451 70.338 68.868 0.032 0.000 0.954 1171 T HN -0.106 nan 8.240 nan 0.000 0.506 1172 S N 1.623 117.408 115.700 0.142 0.000 2.528 1172 S HA 0.067 4.538 4.470 0.002 0.000 0.244 1172 S C 0.937 175.641 174.600 0.173 0.000 0.982 1172 S CA 0.667 59.002 58.200 0.225 0.000 0.953 1172 S CB -0.642 62.626 63.200 0.112 0.000 0.754 1172 S HN 1.182 nan 8.310 nan 0.000 0.529 1173 S N -1.360 114.313 115.700 -0.045 0.000 2.580 1173 S HA 0.659 5.130 4.470 0.002 0.000 0.281 1173 S C -0.603 173.627 174.600 -0.616 0.000 1.129 1173 S CA -0.191 57.738 58.200 -0.451 0.000 0.862 1173 S CB 1.171 64.225 63.200 -0.243 0.000 1.090 1173 S HN 0.536 nan 8.310 nan 0.000 0.451 1174 G N 0.690 108.823 108.800 -1.113 0.000 2.428 1174 G HA2 0.653 4.613 3.960 0.002 0.000 0.305 1174 G HA3 0.653 4.613 3.960 0.002 0.000 0.305 1174 G C -1.388 173.305 174.900 -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 0.436 115.029 114.554 0.064 0.000 3.041 1175 T HA 0.652 5.003 4.350 0.002 0.000 0.321 1175 T C -1.401 173.466 174.700 0.279 0.000 1.184 1175 T CA -0.276 61.918 62.100 0.157 0.000 1.050 1175 T CB 1.435 70.309 68.868 0.009 0.000 1.159 1175 T HN 1.247 nan 8.240 nan 0.000 0.469 1176 F N 1.227 121.071 119.950 -0.178 0.000 2.692 1176 F HA 0.930 5.458 4.527 0.002 0.000 0.320 1176 F C -1.984 173.570 175.800 -0.408 0.000 1.123 1176 F CA -1.943 55.872 58.000 -0.308 0.000 0.961 1176 F CB 0.810 39.505 39.000 -0.508 0.000 1.383 1176 F HN 0.273 nan 8.300 nan 0.000 0.483 1177 I N 1.912 122.242 120.570 -0.399 0.000 2.534 1177 I HA 0.267 4.438 4.170 0.002 0.000 0.288 1177 I C -0.414 175.411 176.117 -0.487 0.000 1.077 1177 I CA -0.777 60.209 61.300 -0.524 0.000 1.051 1177 I CB 1.719 39.644 38.000 -0.124 0.000 1.234 1177 I HN 0.829 nan 8.210 nan 0.000 0.425 1178 S N 7.205 122.207 115.700 -1.164 0.000 2.525 1178 S HA 0.291 4.762 4.470 0.002 0.000 0.285 1178 S C -2.436 172.058 174.600 -0.177 0.000 1.283 1178 S CA -0.750 57.032 58.200 -0.695 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 -0.086 nan 4.420 nan 0.000 0.272 1179 P C 0.749 178.059 177.300 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 31.913 31.700 0.100 0.000 0.814 1180 N N -2.104 116.600 118.700 0.006 0.000 2.922 1180 N HA -0.283 4.458 4.740 0.002 0.000 0.224 1180 N C 0.233 175.816 175.510 0.121 0.000 0.833 1180 N CA 1.151 54.214 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 3.208 123.468 120.300 -0.067 0.000 3.073 1181 Y HA -0.047 4.504 4.550 0.002 0.000 0.343 1181 Y C -1.214 174.574 175.900 -0.187 0.000 1.274 1181 Y CA -0.008 58.001 58.100 -0.151 0.000 1.554 1181 Y CB 0.513 38.845 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 -0.278 176.663 177.300 -0.598 0.000 1.197 1182 P CA 0.613 62.880 63.100 -1.388 0.000 0.765 1182 P CB 0.046 31.012 31.700 -1.224 0.000 0.936 1183 M N 0.847 120.212 119.600 -0.393 0.000 2.233 1183 M HA 0.285 4.766 4.480 0.002 0.000 0.350 1183 M C -2.184 174.057 176.300 -0.100 0.000 1.176 1183 M CA -2.867 52.316 55.300 -0.194 0.000 1.150 1183 M CB -0.500 32.050 32.600 -0.082 0.000 1.530 1183 M HN -0.295 nan 8.290 nan 0.000 0.459 1184 P HA -0.086 nan 4.420 nan 0.000 0.264 1184 P C -1.288 175.890 177.300 -0.204 0.000 1.173 1184 P CA 0.513 63.509 63.100 -0.173 0.000 0.761 1184 P CB -0.100 31.493 31.700 -0.178 0.000 0.794 1185 Y N 1.742 122.019 120.300 -0.038 0.000 2.282 1185 Y HA 0.420 4.971 4.550 0.002 0.000 0.335 1185 Y C 0.438 176.291 175.900 -0.078 0.000 1.335 1185 Y CA -0.822 57.205 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 4.805 4.550 0.002 0.000 0.329 1186 Y C 0.412 176.484 175.900 0.287 0.000 1.293 1186 Y CA -0.895 57.317 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 4.978 4.556 0.002 0.000 0.342 1187 H C 0.616 176.067 175.328 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 -0.256 115.625 115.700 0.302 0.000 3.402 1188 S HA -0.273 4.198 4.470 0.002 0.000 0.329 1188 S C 0.050 174.705 174.600 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 1.410 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 5.205 4.470 0.002 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 64.867 63.200 0.019 0.000 1.037 1189 S HN 0.499 nan 8.310 nan 0.000 0.520 1190 E N 0.996 121.109 120.200 -0.144 0.000 2.207 1190 E HA 0.408 4.759 4.350 0.002 0.000 0.250 1190 E C -1.186 174.982 176.600 -0.719 0.000 0.890 1190 E CA -0.548 55.664 56.400 -0.314 0.000 0.749 1190 E CB 1.269 30.865 29.700 -0.174 0.000 1.193 1190 E HN 0.619 nan 8.360 nan 0.000 0.423 1191 c N 2.772 121.021 118.600 -0.586 0.000 2.364 1191 c HA 0.559 5.130 4.570 0.002 0.000 0.356 1191 c C -0.779 172.869 174.090 -0.738 0.000 1.201 1191 c CA -0.496 55.438 56.329 -0.659 0.000 2.227 1191 c CB -0.198 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 -0.012 119.977 120.300 -0.519 0.000 2.504 1192 Y HA 0.596 5.147 4.550 0.002 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 1.934 123.124 121.300 -0.183 0.000 3.259 1193 W HA 0.482 5.143 4.660 0.002 0.000 0.331 1193 W C -1.709 174.592 176.519 -0.363 0.000 1.144 1193 W CA -1.583 55.626 57.345 -0.226 0.000 1.227 1193 W CB 0.934 30.231 29.460 -0.273 0.000 1.371 1193 W HN 0.546 nan 8.180 nan 0.000 0.491 1194 W N 5.544 126.733 121.300 -0.185 0.000 2.362 1194 W HA 0.690 5.351 4.660 0.001 0.000 0.316 1194 W C -1.490 174.909 176.519 -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 7.220 128.279 121.223 -0.272 0.000 2.283 1195 L HA 0.386 4.726 4.340 0.002 0.000 0.287 1195 L C 0.235 176.794 176.870 -0.519 0.000 1.073 1195 L CA -0.250 54.140 54.840 -0.750 0.000 0.822 1195 L CB 0.518 41.804 42.059 -1.288 0.000 1.186 1195 L HN 0.401 nan 8.230 nan 0.000 0.436 1196 K N 2.198 122.287 120.400 -0.518 0.000 2.553 1196 K HA 0.443 4.764 4.320 0.002 0.000 0.250 1196 K C -0.385 176.244 176.600 0.047 0.000 0.953 1196 K CA -0.240 56.035 56.287 -0.020 0.000 0.800 1196 K CB 1.968 34.249 32.500 -0.364 0.000 1.243 1196 K HN 0.627 nan 8.250 nan 0.000 0.435 1197 S N 1.522 117.432 115.700 0.349 0.000 4.002 1197 S HA 0.252 4.723 4.470 0.002 0.000 0.167 1197 S C -0.345 174.252 174.600 -0.005 0.000 0.914 1197 S CA -0.286 57.995 58.200 0.134 0.000 1.110 1197 S CB 0.088 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 4.882 4.470 0.002 0.000 0.276 1198 S C -0.747 173.810 174.600 -0.072 0.000 1.274 1198 S CA -0.370 57.755 58.200 -0.125 0.000 1.053 1198 S CB -0.098 63.063 63.200 -0.065 0.000 0.919 1198 S HN 0.478 nan 8.310 nan 0.000 0.490 1199 H N 1.480 120.495 119.070 -0.090 0.000 3.004 1199 H HA 0.269 4.825 4.556 0.002 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 -0.083 29.602 29.762 -0.128 0.000 1.472 1199 H HN 1.037 nan 8.280 nan 0.000 0.571 1200 G N 2.831 111.703 108.800 0.121 0.000 2.176 1200 G HA2 -0.250 3.711 3.960 0.002 0.000 0.253 1200 G HA3 -0.250 3.711 3.960 0.002 0.000 0.253 1200 G C -0.182 174.818 174.900 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 0.007 115.783 115.700 0.126 0.000 2.532 1201 S HA 0.819 5.290 4.470 0.002 0.000 0.299 1201 S C 0.281 174.817 174.600 -0.106 0.000 1.105 1201 S CA 0.024 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 2.550 125.338 122.820 -0.053 0.000 2.371 1202 A HA 0.699 5.020 4.320 0.002 0.000 0.257 1202 A C -0.375 177.119 177.584 -0.151 0.000 1.089 1202 A CA -0.330 51.649 52.037 -0.096 0.000 0.794 1202 A CB -0.105 18.915 19.000 0.032 0.000 1.029 1202 A HN 0.693 nan 8.150 nan 0.000 0.488 1203 F N 0.219 120.243 119.950 0.124 0.000 2.378 1203 F HA 0.460 4.988 4.527 0.002 0.000 0.319 1203 F C 1.065 176.930 175.800 0.109 0.000 1.155 1203 F CA 0.338 58.413 58.000 0.125 0.000 1.157 1203 F CB 1.035 40.101 39.000 0.110 0.000 1.252 1203 F HN 0.715 nan 8.300 nan 0.000 0.550 1204 E N 1.571 121.976 120.200 0.342 0.000 2.321 1204 E HA 0.412 4.763 4.350 0.002 0.000 0.278 1204 E C -1.992 174.712 176.600 0.173 0.000 0.902 1204 E CA -0.828 55.695 56.400 0.206 0.000 0.758 1204 E CB 1.795 31.578 29.700 0.138 0.000 1.213 1204 E HN 0.397 nan 8.360 nan 0.000 0.426 1205 L N 1.714 123.001 121.223 0.107 0.000 2.416 1205 L HA 0.647 4.988 4.340 0.002 0.000 0.263 1205 L C 0.036 176.877 176.870 -0.049 0.000 1.065 1205 L CA -0.436 54.404 54.840 0.000 0.000 0.798 1205 L CB 1.262 43.295 42.059 -0.044 0.000 1.267 1205 L HN 0.922 nan 8.230 nan 0.000 0.467 1206 E N -0.315 119.721 120.200 -0.273 0.000 2.405 1206 E HA 0.350 4.701 4.350 0.002 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 0.268 nan 8.360 nan 0.000 0.428 1207 F N 1.915 121.873 119.950 0.013 0.000 2.539 1207 F HA 0.387 4.915 4.527 0.002 0.000 0.318 1207 F C 0.967 176.775 175.800 0.014 0.000 1.135 1207 F CA -0.922 57.078 58.000 0.001 0.000 0.915 1207 F CB 1.567 40.600 39.000 0.056 0.000 1.176 1207 F HN 0.168 nan 8.300 nan 0.000 0.440 1208 K N 1.191 121.667 120.400 0.127 0.000 2.551 1208 K HA 0.076 4.397 4.320 0.002 0.000 0.192 1208 K C -0.548 176.129 176.600 0.128 0.000 1.027 1208 K CA 0.503 56.849 56.287 0.098 0.000 1.059 1208 K CB -0.234 32.293 32.500 0.045 0.000 0.831 1208 K HN 0.590 nan 8.250 nan 0.000 0.508 1209 D N -0.772 119.741 120.400 0.188 0.000 2.085 1209 D HA 0.081 4.722 4.640 0.002 0.000 0.147 1209 D C -1.804 174.603 176.300 0.179 0.000 1.121 1209 D CA -0.314 53.785 54.000 0.165 0.000 0.941 1209 D CB -0.063 40.823 40.800 0.144 0.000 2.846 1209 D HN -0.077 nan 8.370 nan 0.000 0.517 1210 F N 4.008 123.991 119.950 0.055 0.000 2.540 1210 F HA 0.557 5.085 4.527 0.002 0.000 0.317 1210 F C -1.005 174.851 175.800 0.093 0.000 1.104 1210 F CA -0.413 57.583 58.000 -0.006 0.000 0.913 1210 F CB 1.745 40.592 39.000 -0.256 0.000 1.170 1210 F HN 0.328 nan 8.300 nan 0.000 0.450 1211 H N 7.231 126.528 119.070 0.378 0.000 3.163 1211 H HA 0.527 5.084 4.556 0.002 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 0.306 0.000 1.418 1211 H CB 1.371 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 1.869 123.035 121.223 -0.095 0.000 2.801 1212 L HA 0.245 4.586 4.340 0.002 0.000 0.264 1212 L C -0.249 176.617 176.870 -0.006 0.000 1.086 1212 L CA -1.042 53.854 54.840 0.094 0.000 0.920 1212 L CB 2.169 44.411 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 4.370 4.350 0.002 0.000 0.258 1213 E C -0.776 175.916 176.600 0.153 0.000 1.043 1213 E CA 0.039 56.531 56.400 0.153 0.000 0.929 1213 E CB 0.229 30.019 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 4.548 4.556 0.002 0.000 0.347 1214 H C -0.794 174.624 175.328 0.150 0.000 1.068 1214 H CA 0.727 56.818 56.048 0.072 0.000 1.426 1214 H CB 0.389 30.187 29.762 0.059 0.000 1.410 1214 H HN 0.512 nan 8.280 nan 0.000 0.597 1215 H N 5.261 123.966 119.070 -0.608 0.000 3.128 1215 H HA 0.207 4.764 4.556 0.002 0.000 0.336 1215 H C -2.892 172.179 175.328 -0.427 0.000 1.026 1215 H CA -2.012 53.785 56.048 -0.419 0.000 1.376 1215 H CB 1.435 31.095 29.762 -0.171 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 0.490 177.342 177.300 -0.748 0.000 1.183 1216 P CA 0.647 63.395 63.100 -0.585 0.000 0.763 1216 P CB 0.422 31.870 31.700 -0.419 0.000 0.807 1217 N N 0.731 119.212 118.700 -0.365 0.000 2.946 1217 N HA -0.222 4.519 4.740 0.002 0.000 0.228 1217 N C -0.833 174.623 175.510 -0.090 0.000 0.873 1217 N CA 1.253 54.171 53.050 -0.220 0.000 1.029 1217 N CB -1.741 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 -3.023 115.570 118.600 -0.012 0.000 0.180 1218 c HA -0.036 4.535 4.570 0.002 0.000 0.020 1218 c C 1.182 175.400 174.090 0.212 0.000 0.174 1218 c CA 1.180 57.637 56.329 0.213 0.000 0.540 1218 c CB -1.452 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 0.868 115.449 114.554 0.044 0.000 5.063 1219 T HA -0.010 4.341 4.350 0.002 0.000 0.304 1219 T C 1.007 175.550 174.700 -0.263 0.000 1.004 1219 T CA 0.457 62.410 62.100 -0.244 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 0.838 121.914 121.223 -0.244 0.000 1.960 1220 L HA 0.287 4.628 4.340 0.002 0.000 0.209 1220 L C 0.090 177.030 176.870 0.117 0.000 1.090 1220 L CA 1.232 56.001 54.840 -0.119 0.000 0.759 1220 L CB -0.254 41.720 42.059 -0.141 0.000 0.892 1220 L HN 0.145 nan 8.230 nan 0.000 0.436 1221 D N -1.051 119.466 120.400 0.195 0.000 2.502 1221 D HA 0.497 5.138 4.640 0.002 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 1.344 42.282 40.800 0.231 0.000 1.264 1221 D HN 0.199 nan 8.370 nan 0.000 0.511 1222 Y N -0.533 119.803 120.300 0.060 0.000 2.655 1222 Y HA 0.676 5.227 4.550 0.002 0.000 0.336 1222 Y C -1.779 174.170 175.900 0.082 0.000 1.154 1222 Y CA -1.492 56.648 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 2.771 124.009 121.223 0.025 0.000 2.406 1223 L HA 0.768 5.109 4.340 0.002 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 1.372 43.408 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 0.576 4.897 4.320 0.002 0.000 0.308 1224 A C -0.646 176.943 177.584 0.008 0.000 1.254 1224 A CA -0.292 51.753 52.037 0.014 0.000 0.874 1224 A CB 1.518 20.559 19.000 0.069 0.000 1.153 1224 A HN 0.480 nan 8.150 nan 0.000 0.527 1225 V N 2.830 122.697 119.914 -0.078 0.000 2.837 1225 V HA 0.629 4.750 4.120 0.002 0.000 0.310 1225 V C -1.315 174.704 176.094 -0.125 0.000 1.059 1225 V CA -0.230 62.082 62.300 0.020 0.000 1.004 1225 V CB 1.510 33.369 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 4.823 4.550 0.002 0.000 0.325 1226 Y C -0.171 175.846 175.900 0.196 0.000 1.103 1226 Y CA -1.193 57.013 58.100 0.176 0.000 1.182 1226 Y CB 1.289 39.877 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 5.039 4.640 0.002 0.000 0.253 1227 D C 0.381 176.846 176.300 0.274 0.000 1.278 1227 D CA 1.694 55.868 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 3.150 112.122 108.800 0.287 0.000 2.347 1228 G HA2 -0.041 3.920 3.960 0.002 0.000 0.321 1228 G HA3 -0.041 3.920 3.960 0.002 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 0.063 nan 8.290 nan 0.000 0.637 1229 P HA 0.089 nan 4.420 nan 0.000 0.226 1229 P C 0.860 177.852 177.300 -0.515 0.000 1.153 1229 P CA 1.779 64.747 63.100 -0.221 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 4.824 4.470 0.002 0.000 0.279 1230 S C 1.112 175.122 174.600 -0.983 0.000 1.148 1230 S CA -0.022 57.633 58.200 -0.909 0.000 0.837 1230 S CB 1.136 63.950 63.200 -0.644 0.000 1.138 1230 S HN -0.085 nan 8.310 nan 0.000 0.478 1231 S N 1.218 116.171 115.700 -1.246 0.000 2.419 1231 S HA -0.199 4.272 4.470 0.002 0.000 0.235 1231 S C 1.316 175.428 174.600 -0.814 0.000 1.019 1231 S CA 1.660 59.055 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 1.895 120.302 118.700 -0.488 0.000 2.192 1232 N HA -0.040 4.701 4.740 0.002 0.000 0.188 1232 N C 0.799 176.228 175.510 -0.136 0.000 1.013 1232 N CA 0.948 53.850 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 0.424 nan 8.380 nan 0.000 0.430 1233 S N 0.264 115.872 115.700 -0.154 0.000 2.587 1233 S HA -0.054 4.417 4.470 0.002 0.000 0.260 1233 S C 0.311 175.041 174.600 0.216 0.000 1.353 1233 S CA -0.433 57.792 58.200 0.041 0.000 0.995 1233 S CB 0.384 63.623 63.200 0.064 0.000 0.912 1233 S HN 0.409 nan 8.310 nan 0.000 0.568 1234 H N 1.033 120.202 119.070 0.166 0.000 3.091 1234 H HA 0.194 4.751 4.556 0.002 0.000 0.289 1234 H C -0.133 175.337 175.328 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 4.402 4.340 0.002 0.000 0.273 1235 L C 0.073 176.573 176.870 -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 0.892 nan 8.230 nan 0.000 0.473 1236 L N 3.624 124.639 121.223 -0.347 0.000 2.109 1236 L HA 0.068 4.409 4.340 0.002 0.000 0.207 1236 L C 0.365 177.165 176.870 -0.116 0.000 1.086 1236 L CA 0.889 55.647 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 -2.212 112.245 114.554 -0.161 0.000 2.886 1237 T HA 0.250 4.601 4.350 0.002 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 2.598 71.429 68.868 -0.062 0.000 1.348 1237 T HN -0.009 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 5.068 4.340 0.002 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 29.942 28.738 0.058 0.000 1.281 1238 Q HN 0.426 nan 8.270 nan 0.000 0.446 1239 L N 3.546 124.764 121.223 -0.009 0.000 2.381 1239 L HA 0.717 5.058 4.340 0.002 0.000 0.268 1239 L C -0.756 176.078 176.870 -0.059 0.000 0.997 1239 L CA -0.434 54.320 54.840 -0.143 0.000 0.818 1239 L CB 1.699 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 -0.234 118.286 118.600 -0.135 0.000 3.320 1240 c HA 0.997 5.568 4.570 0.002 0.000 0.335 1240 c C 0.346 174.388 174.090 -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 43.670 42.510 0.101 0.000 1.609 1240 c HN 1.548 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 0.015 3.976 3.960 0.002 0.000 0.218 1241 G HA3 0.015 3.976 3.960 0.002 0.000 0.218 1241 G C -0.220 174.668 174.900 -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 4.961 4.640 0.002 0.000 0.208 1242 D C 0.684 177.016 176.300 0.055 0.000 1.083 1242 D CA 0.851 54.887 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 1.066 121.229 120.200 -0.063 0.000 2.313 1243 E HA 0.156 4.507 4.350 0.002 0.000 0.272 1243 E C -0.611 175.891 176.600 -0.164 0.000 1.038 1243 E CA -0.574 55.779 56.400 -0.080 0.000 0.863 1243 E CB 1.000 30.648 29.700 -0.086 0.000 1.060 1243 E HN 0.125 nan 8.360 nan 0.000 0.402 1244 K N 5.132 125.490 120.400 -0.070 0.000 2.267 1244 K HA 0.317 4.638 4.320 0.002 0.000 0.282 1244 K C -2.125 174.420 176.600 -0.091 0.000 1.078 1244 K CA -1.584 54.668 56.287 -0.058 0.000 0.903 1244 K CB 0.352 32.885 32.500 0.056 0.000 1.111 1244 K HN 0.294 nan 8.250 nan 0.000 0.475 1245 P HA 0.042 nan 4.420 nan 0.000 0.270 1245 P C -2.572 174.744 177.300 0.027 0.000 1.216 1245 P CA -0.698 62.322 63.100 -0.134 0.000 0.788 1245 P CB -0.127 31.432 31.700 -0.235 0.000 0.883 1246 P HA 0.232 nan 4.420 nan 0.000 0.288 1246 P C -0.803 176.557 177.300 0.100 0.000 1.267 1246 P CA -0.727 62.408 63.100 0.059 0.000 0.815 1246 P CB 0.280 31.998 31.700 0.030 0.000 0.989 1247 L N 0.915 122.198 121.223 0.099 0.000 2.503 1247 L HA 0.187 4.528 4.340 0.002 0.000 0.287 1247 L C -0.224 176.708 176.870 0.104 0.000 1.252 1247 L CA 0.751 55.657 54.840 0.109 0.000 0.835 1247 L CB -0.553 41.553 42.059 0.078 0.000 1.099 1247 L HN 0.260 nan 8.230 nan 0.000 0.516 1248 I N 2.178 122.817 120.570 0.115 0.000 2.555 1248 I HA 0.317 4.488 4.170 0.002 0.000 0.275 1248 I C -0.001 176.186 176.117 0.116 0.000 1.082 1248 I CA -0.513 60.855 61.300 0.113 0.000 1.167 1248 I CB 0.700 38.780 38.000 0.134 0.000 1.312 1248 I HN 0.754 nan 8.210 nan 0.000 0.493 1249 R N 4.614 125.176 120.500 0.103 0.000 2.291 1249 R HA 0.179 4.520 4.340 0.002 0.000 0.333 1249 R C 0.471 176.847 176.300 0.127 0.000 1.082 1249 R CA 0.051 56.217 56.100 0.110 0.000 0.948 1249 R CB 0.712 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 4.388 4.470 0.002 0.000 0.276 1250 S C 1.097 175.783 174.600 0.143 0.000 1.350 1250 S CA 0.308 58.618 58.200 0.183 0.000 1.024 1250 S CB 0.790 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 2.120 117.905 115.700 0.142 0.000 2.539 1251 S HA 0.433 4.904 4.470 0.002 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 63.072 63.200 0.092 0.000 0.832 1251 S HN 1.097 nan 8.310 nan 0.000 0.492 1252 G N 0.141 109.021 108.800 0.132 0.000 2.798 1252 G HA2 0.448 4.409 3.960 0.002 0.000 0.286 1252 G HA3 0.448 4.409 3.960 0.002 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 0.128 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 4.516 4.640 0.002 0.000 0.189 1253 D C 1.606 178.009 176.300 0.172 0.000 1.006 1253 D CA 1.706 55.757 54.000 0.085 0.000 0.853 1253 D CB -0.150 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 -0.954 114.951 115.700 0.340 0.000 2.693 1254 S HA 0.519 4.990 4.470 0.002 0.000 0.276 1254 S C 0.217 175.154 174.600 0.563 0.000 1.192 1254 S CA -0.730 57.810 58.200 0.567 0.000 0.994 1254 S CB 2.184 65.830 63.200 0.744 0.000 1.012 1254 S HN 0.349 nan 8.310 nan 0.000 0.550 1255 M N 2.123 122.078 119.600 0.592 0.000 2.284 1255 M HA 0.458 4.939 4.480 0.002 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 0.446 0.000 0.965 1255 M CB 1.249 34.052 32.600 0.339 0.000 1.717 1255 M HN 0.729 nan 8.290 nan 0.000 0.479 1256 F N 5.281 125.421 119.950 0.318 0.000 2.432 1256 F HA 0.818 5.346 4.527 0.002 0.000 0.329 1256 F C -1.303 174.693 175.800 0.326 0.000 1.076 1256 F CA -0.409 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 4.847 125.299 120.570 -0.196 0.000 2.586 1257 I HA 0.290 4.461 4.170 0.002 0.000 0.288 1257 I C -1.250 175.011 176.117 0.241 0.000 1.147 1257 I CA -0.609 60.791 61.300 0.166 0.000 1.047 1257 I CB 2.066 40.166 38.000 0.166 0.000 1.244 1257 I HN 0.505 nan 8.210 nan 0.000 0.429 1258 K N 7.595 128.265 120.400 0.451 0.000 2.371 1258 K HA 0.845 5.166 4.320 0.002 0.000 0.251 1258 K C -1.926 174.813 176.600 0.232 0.000 0.934 1258 K CA -0.700 55.903 56.287 0.526 0.000 0.798 1258 K CB 2.654 35.637 32.500 0.804 0.000 1.204 1258 K HN 0.657 nan 8.250 nan 0.000 0.427 1259 L N 2.799 124.081 121.223 0.100 0.000 2.431 1259 L HA 0.653 4.994 4.340 0.002 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 0.720 5.061 4.340 0.002 0.000 0.283 1260 R C -1.569 174.738 176.300 0.013 0.000 0.978 1260 R CA -0.089 55.916 56.100 -0.157 0.000 0.897 1260 R CB 2.270 32.616 30.300 0.078 0.000 1.192 1260 R HN 0.870 nan 8.270 nan 0.000 0.457 1261 T N 0.013 114.631 114.554 0.106 0.000 2.848 1261 T HA 0.276 4.627 4.350 0.002 0.000 0.285 1261 T C -0.464 174.370 174.700 0.223 0.000 0.995 1261 T CA -1.062 61.154 62.100 0.194 0.000 0.970 1261 T CB 1.597 70.617 68.868 0.254 0.000 0.976 1261 T HN 0.592 nan 8.240 nan 0.000 0.441 1262 D N 1.850 122.377 120.400 0.212 0.000 2.313 1262 D HA 0.120 4.761 4.640 0.002 0.000 0.247 1262 D C 0.190 176.604 176.300 0.190 0.000 1.094 1262 D CA -0.604 53.496 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 0.540 120.842 120.200 0.170 0.000 2.534 1263 E HA 0.294 4.645 4.350 0.002 0.000 0.264 1263 E C 1.003 177.601 176.600 -0.003 0.000 0.981 1263 E CA 0.449 56.911 56.400 0.104 0.000 0.948 1263 E CB -0.453 29.274 29.700 0.044 0.000 0.934 1263 E HN 0.861 nan 8.360 nan 0.000 0.459 1264 G N 1.591 110.330 108.800 -0.101 0.000 2.892 1264 G HA2 -0.110 3.851 3.960 0.002 0.000 0.686 1264 G HA3 -0.110 3.851 3.960 0.002 0.000 0.686 1264 G C -0.416 174.393 174.900 -0.152 0.000 1.244 1264 G CA 0.310 45.310 45.100 -0.167 0.000 0.947 1264 G HN 0.911 nan 8.290 nan 0.000 0.584 1265 Q N -0.793 118.770 119.800 -0.396 0.000 3.185 1265 Q HA 0.014 4.355 4.340 0.002 0.000 0.034 1265 Q C -0.602 175.458 176.000 0.101 0.000 1.683 1265 Q CA 2.066 57.746 55.803 -0.204 0.000 0.263 1265 Q CB -0.337 28.347 28.738 -0.090 0.000 0.583 1265 Q HN 1.369 nan 8.270 nan 0.000 0.322 1266 Q N 1.695 121.591 119.800 0.162 0.000 2.280 1266 Q HA 0.692 5.033 4.340 0.002 0.000 0.259 1266 Q C -0.166 175.776 176.000 -0.096 0.000 0.964 1266 Q CA 0.156 55.801 55.803 -0.262 0.000 0.844 1266 Q CB 2.096 30.529 28.738 -0.510 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 4.245 3.960 0.002 0.000 0.292 1267 G HA3 0.284 4.245 3.960 0.002 0.000 0.292 1267 G C 0.623 175.633 174.900 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 4.666 4.340 0.002 0.000 0.235 1268 R C 1.160 177.607 176.300 0.245 0.000 1.131 1268 R CA 1.265 57.369 56.100 0.006 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 0.089 4.050 3.960 0.002 0.000 0.277 1269 G HA3 0.089 4.050 3.960 0.002 0.000 0.277 1269 G C -0.917 173.851 174.900 -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 5.475 4.527 0.002 0.000 0.324 1270 F C -0.483 174.699 175.800 -1.029 0.000 1.077 1270 F CA -1.266 56.271 58.000 -0.771 0.000 0.965 1270 F CB 2.333 40.862 39.000 -0.786 0.000 1.351 1270 F HN 0.633 nan 8.300 nan 0.000 0.487 1271 K N 1.398 121.510 120.400 -0.480 0.000 2.507 1271 K HA 0.792 5.113 4.320 0.002 0.000 0.251 1271 K C -1.956 174.485 176.600 -0.266 0.000 0.943 1271 K CA -0.934 55.050 56.287 -0.506 0.000 0.794 1271 K CB 1.965 34.240 32.500 -0.374 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 4.588 4.320 0.002 0.000 0.305 1272 A C -0.743 176.707 177.584 -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 19.255 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 4.747 4.350 0.002 0.000 0.272 1273 E C -1.423 175.164 176.600 -0.021 0.000 1.029 1273 E CA -0.073 56.273 56.400 -0.091 0.000 0.872 1273 E CB 0.624 30.270 29.700 -0.090 0.000 1.015 1273 E HN 0.661 nan 8.360 nan 0.000 0.417 1274 Y N 1.314 121.575 120.300 -0.064 0.000 2.396 1274 Y HA 0.544 5.095 4.550 0.002 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 0.844 39.265 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 4.857 4.340 0.002 0.000 0.264 1275 R C -1.228 175.234 176.300 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 0.971 120.919 119.800 0.246 0.000 2.307 1276 Q HA 0.295 4.636 4.340 0.002 0.000 0.262 1276 Q C -0.954 175.094 176.000 0.080 0.000 0.961 1276 Q CA -0.419 55.521 55.803 0.228 0.000 0.882 1276 Q CB 1.554 30.400 28.738 0.179 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 0.042 0.000 2.862 1277 T HA 0.324 4.675 4.350 0.002 0.000 0.276 1277 T C 0.392 175.075 174.700 -0.028 0.000 0.974 1277 T CA -0.559 61.545 62.100 0.006 0.000 0.966 1277 T CB 1.168 70.035 68.868 -0.001 0.000 1.072 1277 T HN 0.890 nan 8.240 nan 0.000 0.538 1278 c N -0.992 117.541 118.600 -0.112 0.000 3.981 1278 c HA 0.420 4.991 4.570 0.002 0.000 0.306 1278 c C 0.095 173.933 174.090 -0.421 0.000 2.005 1278 c CA -0.542 55.605 56.329 -0.304 0.000 1.655 1278 c CB -1.168 41.127 42.510 -0.360 0.000 3.164 1278 c HN 0.885 nan 8.230 nan 0.000 0.554 1279 E N 2.197 122.261 120.200 -0.226 0.000 2.105 1279 E HA 0.337 4.688 4.350 0.002 0.000 0.285 1279 E C -0.237 176.266 176.600 -0.162 0.000 1.055 1279 E CA 0.041 56.322 56.400 -0.199 0.000 0.843 1279 E CB 0.048 29.682 29.700 -0.110 0.000 1.067 1279 E HN 0.597 nan 8.360 nan 0.000 0.398 1280 N N 1.330 119.916 118.700 -0.190 0.000 2.815 1280 N HA -0.182 4.559 4.740 0.002 0.000 0.248 1280 N C -0.368 175.090 175.510 -0.087 0.000 1.110 1280 N CA 0.374 53.351 53.050 -0.121 0.000 0.699 1280 N CB -1.196 37.242 38.487 -0.082 0.000 1.040 1280 N HN 0.262 nan 8.380 nan 0.000 0.555 1281 V N -2.921 116.929 119.914 -0.107 0.000 3.083 1281 V HA 0.776 4.897 4.120 0.002 0.000 0.306 1281 V C 0.764 176.875 176.094 0.029 0.000 1.077 1281 V CA -0.454 61.838 62.300 -0.014 0.000 1.073 1281 V CB 2.005 33.859 31.823 0.051 0.000 1.081 1281 V HN -0.089 nan 8.190 nan 0.000 0.474 1282 V N 3.964 123.902 119.914 0.039 0.000 2.612 1282 V HA 0.378 4.499 4.120 0.002 0.000 0.301 1282 V C -0.566 175.539 176.094 0.017 0.000 1.059 1282 V CA -0.420 61.892 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 4.314 4.170 0.002 0.000 0.293 1283 I C 1.408 177.515 176.117 -0.017 0.000 1.078 1283 I CA 0.241 61.524 61.300 -0.028 0.000 1.292 1283 I CB 0.814 38.729 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 -0.044 4.077 4.120 0.002 0.000 0.245 1284 V C 0.572 176.686 176.094 0.032 0.000 1.044 1284 V CA 1.069 63.380 62.300 0.018 0.000 1.036 1284 V CB -1.153 30.683 31.823 0.021 0.000 0.664 1284 V HN 0.938 nan 8.190 nan 0.000 0.453 1285 N N -0.691 118.042 118.700 0.057 0.000 2.493 1285 N HA 0.528 5.269 4.740 0.002 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 1.570 40.095 38.487 0.064 0.000 1.627 1285 N HN 0.373 nan 8.380 nan 0.000 0.499 1286 Q N 0.940 120.845 119.800 0.174 0.000 2.443 1286 Q HA 0.242 4.583 4.340 0.002 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 0.641 115.344 114.554 0.249 0.000 2.652 1287 T HA -0.147 4.204 4.350 0.002 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 68.731 68.868 0.339 0.000 0.863 1287 T HN 0.634 nan 8.240 nan 0.000 0.428 1288 Y N -0.769 119.485 120.300 -0.076 0.000 2.715 1288 Y HA 0.760 5.311 4.550 0.001 0.000 0.331 1288 Y C -0.032 175.213 175.900 -1.093 0.000 1.197 1288 Y CA -1.234 56.560 58.100 -0.509 0.000 1.079 1288 Y CB 1.291 39.518 38.460 -0.388 0.000 1.298 1288 Y HN 0.306 nan 8.280 nan 0.000 0.477 1289 G N 0.343 107.977 108.800 -1.942 0.000 2.317 1289 G HA2 0.411 4.372 3.960 0.002 0.000 0.293 1289 G HA3 0.411 4.372 3.960 0.002 0.000 0.293 1289 G C -2.569 171.334 174.900 -1.663 0.000 1.287 1289 G CA -0.892 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 0.392 120.371 120.570 -0.986 0.000 2.646 1290 I HA 0.562 4.733 4.170 0.002 0.000 0.299 1290 I C -0.361 175.815 176.117 0.099 0.000 1.036 1290 I CA -1.059 60.048 61.300 -0.322 0.000 1.074 1290 I CB 1.625 39.510 38.000 -0.192 0.000 1.258 1290 I HN 0.417 nan 8.210 nan 0.000 0.430 1291 L N 5.476 126.725 121.223 0.043 0.000 2.316 1291 L HA 0.422 4.763 4.340 0.002 0.000 0.280 1291 L C -0.342 176.224 176.870 -0.507 0.000 1.006 1291 L CA -0.377 54.365 54.840 -0.163 0.000 0.836 1291 L CB 1.270 43.253 42.059 -0.128 0.000 1.221 1291 L HN 0.704 nan 8.230 nan 0.000 0.418 1292 E N 2.500 122.329 120.200 -0.618 0.000 2.248 1292 E HA 0.377 4.728 4.350 0.002 0.000 0.267 1292 E C -0.692 175.490 176.600 -0.696 0.000 0.877 1292 E CA -0.842 55.029 56.400 -0.881 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 3.669 118.875 115.700 -0.823 0.000 2.515 1293 S HA 0.007 4.478 4.470 0.002 0.000 0.285 1293 S C 1.633 176.257 174.600 0.039 0.000 1.265 1293 S CA -0.169 57.945 58.200 -0.144 0.000 1.079 1293 S CB -0.414 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 2.368 123.022 120.570 0.141 0.000 2.203 1294 I HA -0.250 3.921 4.170 0.002 0.000 0.237 1294 I C 2.346 178.503 176.117 0.066 0.000 0.993 1294 I CA 2.050 63.409 61.300 0.099 0.000 1.277 1294 I CB -1.644 36.422 38.000 0.110 0.000 0.984 1294 I HN 0.664 nan 8.210 nan 0.000 0.402 1295 G N -0.544 108.302 108.800 0.077 0.000 2.475 1295 G HA2 -0.282 3.679 3.960 0.002 0.000 0.220 1295 G HA3 -0.282 3.679 3.960 0.002 0.000 0.220 1295 G C 0.736 175.654 174.900 0.031 0.000 1.125 1295 G CA 0.611 45.733 45.100 0.037 0.000 0.755 1295 G HN 0.585 nan 8.290 nan 0.000 0.565 1296 Y N 1.988 122.244 120.300 -0.075 0.000 3.032 1296 Y HA 0.051 4.602 4.550 0.002 0.000 0.344 1296 Y C -1.142 174.694 175.900 -0.107 0.000 1.273 1296 Y CA -0.898 57.142 58.100 -0.101 0.000 1.588 1296 Y CB 1.019 39.373 38.460 -0.177 0.000 1.209 1296 Y HN 0.056 nan 8.280 nan 0.000 0.597 1297 P HA 0.013 nan 4.420 nan 0.000 0.255 1297 P C -0.917 176.048 177.300 -0.557 0.000 1.301 1297 P CA 0.292 62.745 63.100 -1.079 0.000 0.817 1297 P CB 0.097 31.374 31.700 -0.704 0.000 1.259 1298 N N 2.174 120.715 118.700 -0.264 0.000 2.492 1298 N HA 0.069 4.810 4.740 0.002 0.000 0.260 1298 N C -2.201 173.222 175.510 -0.145 0.000 1.215 1298 N CA -1.349 51.598 53.050 -0.172 0.000 0.923 1298 N CB -0.312 38.117 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 0.166 63.159 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 4.919 4.550 0.002 0.000 0.327 1300 Y C 0.571 176.466 175.900 -0.008 0.000 1.172 1300 Y CA -1.293 56.810 58.100 0.006 0.000 1.280 1300 Y CB -0.353 38.134 38.460 0.045 0.000 1.234 1300 Y HN 0.272 nan 8.280 nan 0.000 0.512 1301 S N 1.247 117.041 115.700 0.158 0.000 2.560 1301 S HA 0.083 4.554 4.470 0.002 0.000 0.284 1301 S C -0.404 174.250 174.600 0.089 0.000 1.327 1301 S CA -0.880 57.361 58.200 0.067 0.000 1.055 1301 S CB 0.302 63.529 63.200 0.046 0.000 0.868 1301 S HN 0.686 nan 8.310 nan 0.000 0.506 1302 E N 1.762 121.975 120.200 0.022 0.000 2.392 1302 E HA 0.229 4.580 4.350 0.002 0.000 0.264 1302 E C 0.092 176.682 176.600 -0.017 0.000 1.024 1302 E CA 0.046 56.453 56.400 0.012 0.000 0.903 1302 E CB 0.096 29.787 29.700 -0.015 0.000 0.963 1302 E HN 0.593 nan 8.360 nan 0.000 0.432 1303 N N 1.808 120.476 118.700 -0.054 0.000 2.862 1303 N HA -0.171 4.570 4.740 0.002 0.000 0.246 1303 N C -1.332 174.036 175.510 -0.237 0.000 1.111 1303 N CA 0.564 53.536 53.050 -0.131 0.000 0.688 1303 N CB -1.152 37.297 38.487 -0.064 0.000 1.018 1303 N HN 0.515 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 4.632 4.340 0.002 0.000 0.258 1304 Q C -0.256 175.463 176.000 -0.470 0.000 0.936 1304 Q CA -0.332 55.308 55.803 -0.271 0.000 0.909 1304 Q CB 1.462 30.127 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 4.797 4.556 0.002 0.000 0.259 1305 H C -0.675 174.540 175.328 -0.188 0.000 1.298 1305 H CA -0.397 55.577 56.048 -0.125 0.000 1.301 1305 H CB 0.311 30.016 29.762 -0.095 0.000 1.422 1305 H HN 0.514 nan 8.280 nan 0.000 0.521 1306 c N 2.990 121.485 118.600 -0.174 0.000 2.330 1306 c HA 0.247 4.818 4.570 0.002 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 3.394 121.748 118.700 -0.578 0.000 2.640 1307 N HA 0.213 4.954 4.740 0.002 0.000 0.262 1307 N C -1.115 174.212 175.510 -0.304 0.000 1.174 1307 N CA -0.264 52.607 53.050 -0.299 0.000 0.791 1307 N CB 0.629 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 1.605 122.905 121.300 0.001 0.000 2.436 1308 W HA 0.466 5.126 4.660 0.001 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 1.654 31.095 29.460 -0.032 0.000 1.253 1308 W HN 0.232 nan 8.180 nan 0.000 0.617 1309 T N 1.310 115.951 114.554 0.145 0.000 3.170 1309 T HA 0.406 4.757 4.350 0.002 0.000 0.315 1309 T C -0.641 174.026 174.700 -0.055 0.000 0.967 1309 T CA -0.613 61.509 62.100 0.036 0.000 1.024 1309 T CB 0.917 69.793 68.868 0.014 0.000 1.018 1309 T HN 0.147 nan 8.240 nan 0.000 0.449 1310 I N 2.991 123.473 120.570 -0.147 0.000 2.342 1310 I HA 0.418 4.589 4.170 0.002 0.000 0.291 1310 I C 0.553 176.583 176.117 -0.146 0.000 1.010 1310 I CA -0.673 60.459 61.300 -0.281 0.000 1.308 1310 I CB 1.099 38.735 38.000 -0.606 0.000 1.400 1310 I HN 0.318 nan 8.210 nan 0.000 0.488 1311 R N 4.804 125.246 120.500 -0.097 0.000 2.343 1311 R HA 0.598 4.939 4.340 0.002 0.000 0.320 1311 R C -0.545 175.750 176.300 -0.008 0.000 0.956 1311 R CA -0.675 55.403 56.100 -0.037 0.000 0.836 1311 R CB 1.913 32.203 30.300 -0.017 0.000 1.151 1311 R HN 0.737 nan 8.270 nan 0.000 0.450 1312 A N 2.794 125.617 122.820 0.006 0.000 2.302 1312 A HA 0.187 4.508 4.320 0.002 0.000 0.295 1312 A C 0.538 178.140 177.584 0.031 0.000 1.235 1312 A CA -0.502 51.556 52.037 0.034 0.000 0.876 1312 A CB 0.183 19.205 19.000 0.037 0.000 1.133 1312 A HN 0.793 nan 8.150 nan 0.000 0.533 1313 T N 1.985 116.563 114.554 0.039 0.000 2.934 1313 T HA 0.359 4.710 4.350 0.002 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 -0.302 68.589 68.868 0.038 0.000 1.039 1313 T HN 1.617 nan 8.240 nan 0.000 0.543 1314 T N 2.310 116.876 114.554 0.020 0.000 14.133 1314 T HA -0.203 4.148 4.350 0.002 0.000 0.419 1314 T C 0.987 175.696 174.700 0.014 0.000 1.441 1314 T CA 0.976 63.086 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 2.165 110.973 108.800 0.013 0.000 4.222 1315 G HA2 0.475 4.436 3.960 0.002 0.000 0.301 1315 G HA3 0.475 4.436 3.960 0.002 0.000 0.301 1315 G C 0.084 174.991 174.900 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 0.655 119.364 118.700 0.016 0.000 2.514 1316 N HA 0.573 5.314 4.740 0.002 0.000 0.299 1316 N C 0.803 176.322 175.510 0.015 0.000 1.292 1316 N CA 0.034 53.094 53.050 0.017 0.000 0.963 1316 N CB 0.779 39.283 38.487 0.030 0.000 1.124 1316 N HN 0.318 nan 8.380 nan 0.000 0.580 1317 T N -3.761 110.803 114.554 0.017 0.000 2.618 1317 T HA 0.704 5.054 4.350 0.002 0.000 0.286 1317 T C -1.126 173.587 174.700 0.022 0.000 1.027 1317 T CA -0.662 61.442 62.100 0.007 0.000 1.063 1317 T CB 0.524 69.385 68.868 -0.012 0.000 1.440 1317 T HN 0.101 nan 8.240 nan 0.000 0.505 1318 V N 1.966 121.869 119.914 -0.019 0.000 2.532 1318 V HA 0.495 4.616 4.120 0.002 0.000 0.294 1318 V C -1.064 174.951 176.094 -0.132 0.000 1.036 1318 V CA -1.132 61.162 62.300 -0.010 0.000 0.876 1318 V CB 1.245 33.033 31.823 -0.059 0.000 1.012 1318 V HN 0.852 nan 8.190 nan 0.000 0.432 1319 N N 2.868 121.611 118.700 0.072 0.000 2.525 1319 N HA 0.507 5.248 4.740 0.002 0.000 0.271 1319 N C -0.788 174.702 175.510 -0.033 0.000 1.194 1319 N CA -0.096 52.994 53.050 0.066 0.000 0.964 1319 N CB 0.571 39.290 38.487 0.387 0.000 1.126 1319 N HN 0.542 nan 8.380 nan 0.000 0.452 1320 Y N -0.291 120.098 120.300 0.149 0.000 2.488 1320 Y HA 0.610 5.161 4.550 0.001 0.000 0.325 1320 Y C 0.487 176.412 175.900 0.041 0.000 1.204 1320 Y CA -0.597 57.529 58.100 0.044 0.000 1.229 1320 Y CB 1.320 39.806 38.460 0.043 0.000 1.274 1320 Y HN 0.320 nan 8.280 nan 0.000 0.493 1321 T N 0.962 115.598 114.554 0.138 0.000 3.225 1321 T HA 0.412 4.763 4.350 0.002 0.000 0.356 1321 T C -1.357 173.325 174.700 -0.031 0.000 1.460 1321 T CA -0.912 61.260 62.100 0.119 0.000 1.126 1321 T CB 0.729 69.645 68.868 0.081 0.000 1.321 1321 T HN 0.243 nan 8.240 nan 0.000 0.478 1322 F N 1.258 121.250 119.950 0.071 0.000 2.440 1322 F HA 0.641 5.169 4.527 0.001 0.000 0.328 1322 F C 0.726 176.573 175.800 0.078 0.000 1.070 1322 F CA -0.714 57.334 58.000 0.081 0.000 1.011 1322 F CB 1.305 40.358 39.000 0.089 0.000 1.226 1322 F HN 0.410 nan 8.300 nan 0.000 0.491 1323 L N 1.370 122.759 121.223 0.277 0.000 2.806 1323 L HA 0.497 4.838 4.340 0.002 0.000 0.242 1323 L C 0.005 176.988 176.870 0.187 0.000 1.068 1323 L CA 0.228 55.164 54.840 0.159 0.000 0.923 1323 L CB 0.291 42.377 42.059 0.045 0.000 1.364 1323 L HN 0.577 nan 8.230 nan 0.000 0.511 1324 A N -0.661 122.305 122.820 0.244 0.000 2.520 1324 A HA 0.735 5.056 4.320 0.002 0.000 0.298 1324 A C -1.888 175.933 177.584 0.395 0.000 1.051 1324 A CA -0.262 51.935 52.037 0.266 0.000 0.690 1324 A CB 1.465 20.588 19.000 0.206 0.000 1.281 1324 A HN -0.062 nan 8.150 nan 0.000 0.402 1325 F N 1.135 121.217 119.950 0.220 0.000 2.615 1325 F HA 0.609 5.137 4.527 0.002 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 2.287 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 5.716 126.221 120.400 0.175 0.000 2.684 1326 D HA 0.266 4.907 4.640 0.002 0.000 0.233 1326 D C -1.742 174.693 176.300 0.224 0.000 1.374 1326 D CA 0.037 54.188 54.000 0.252 0.000 0.906 1326 D CB 0.375 41.305 40.800 0.217 0.000 1.526 1326 D HN 0.405 nan 8.370 nan 0.000 0.518 1327 L N 0.799 122.174 121.223 0.253 0.000 2.335 1327 L HA 0.549 4.890 4.340 0.002 0.000 0.268 1327 L C 1.383 178.428 176.870 0.291 0.000 1.016 1327 L CA -1.053 53.953 54.840 0.277 0.000 0.805 1327 L CB 1.199 43.364 42.059 0.177 0.000 1.311 1327 L HN 0.188 nan 8.230 nan 0.000 0.456 1328 E N -0.337 120.040 120.200 0.294 0.000 2.563 1328 E HA -0.019 4.332 4.350 0.002 0.000 0.260 1328 E C -0.716 176.024 176.600 0.233 0.000 1.391 1328 E CA 0.143 56.683 56.400 0.234 0.000 1.079 1328 E CB 0.290 30.109 29.700 0.199 0.000 0.984 1328 E HN 0.335 nan 8.360 nan 0.000 0.563 1329 H N -0.469 118.688 119.070 0.146 0.000 2.572 1329 H HA 0.115 4.673 4.556 0.002 0.000 0.359 1329 H C 0.352 175.783 175.328 0.173 0.000 1.134 1329 H CA -0.444 55.696 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 3.314 122.350 119.070 -0.057 0.000 1.452 1330 H HA -0.304 4.253 4.556 0.001 0.000 0.090 1330 H C 0.812 176.193 175.328 0.089 0.000 1.657 1330 H CA 2.300 58.391 56.048 0.073 0.000 1.901 1330 H CB -0.499 29.437 29.762 0.291 0.000 2.257 1330 H HN 0.692 nan 8.280 nan 0.000 0.961 1331 I N 0.050 120.145 120.570 -0.791 0.000 6.521 1331 I HA -0.326 3.845 4.170 0.002 0.000 0.126 1331 I C 0.391 176.152 176.117 -0.594 0.000 1.822 1331 I CA 1.526 62.364 61.300 -0.770 0.000 2.063 1331 I CB -2.364 35.493 38.000 -0.237 0.000 3.493 1331 I HN 0.774 nan 8.210 nan 0.000 0.177 1332 N N -0.702 117.552 118.700 -0.743 0.000 2.740 1332 N HA -0.221 4.520 4.740 0.002 0.000 0.248 1332 N C 0.781 176.265 175.510 -0.043 0.000 1.062 1332 N CA 1.158 54.184 53.050 -0.041 0.000 0.704 1332 N CB -1.484 36.971 38.487 -0.053 0.000 0.968 1332 N HN 0.727 nan 8.380 nan 0.000 0.547 1333 c N -0.438 118.169 118.600 0.012 0.000 3.886 1333 c HA -0.195 4.376 4.570 0.002 0.000 0.295 1333 c C 1.779 175.905 174.090 0.060 0.000 1.411 1333 c CA 1.061 57.409 56.329 0.032 0.000 2.059 1333 c CB -2.524 39.976 42.510 -0.017 0.000 1.329 1333 c HN 0.781 nan 8.230 nan 0.000 0.670 1334 S N -2.481 113.250 115.700 0.052 0.000 2.523 1334 S HA 0.038 4.509 4.470 0.002 0.000 0.217 1334 S C 1.238 175.922 174.600 0.141 0.000 0.996 1334 S CA 0.912 59.172 58.200 0.100 0.000 0.921 1334 S CB 0.193 63.400 63.200 0.012 0.000 0.829 1334 S HN 0.751 nan 8.310 nan 0.000 0.495 1335 T N 1.542 116.166 114.554 0.118 0.000 2.697 1335 T HA 0.107 4.458 4.350 0.002 0.000 0.244 1335 T C -0.259 174.505 174.700 0.108 0.000 1.090 1335 T CA 0.983 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 0.340 120.814 120.400 0.124 0.000 2.248 1336 D HA 0.562 5.203 4.640 0.002 0.000 0.246 1336 D C -0.932 175.449 176.300 0.136 0.000 1.027 1336 D CA -0.240 53.796 54.000 0.059 0.000 0.853 1336 D CB 1.655 42.529 40.800 0.123 0.000 1.243 1336 D HN 0.618 nan 8.370 nan 0.000 0.462 1337 Y N -0.483 119.830 120.300 0.022 0.000 2.764 1337 Y HA 0.663 5.215 4.550 0.002 0.000 0.331 1337 Y C -2.165 173.750 175.900 0.025 0.000 1.280 1337 Y CA -1.409 56.717 58.100 0.043 0.000 1.065 1337 Y CB 1.200 39.693 38.460 0.054 0.000 1.319 1337 Y HN 0.292 nan 8.280 nan 0.000 0.453 1338 L N 1.315 122.801 121.223 0.437 0.000 2.438 1338 L HA 0.679 5.020 4.340 0.002 0.000 0.270 1338 L C -1.469 175.605 176.870 0.340 0.000 0.972 1338 L CA -0.349 54.653 54.840 0.271 0.000 0.831 1338 L CB 2.244 44.321 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 4.992 4.350 0.002 0.000 0.265 1339 E C -1.369 175.302 176.600 0.118 0.000 0.940 1339 E CA -0.778 55.750 56.400 0.213 0.000 0.819 1339 E CB 2.521 32.391 29.700 0.284 0.000 1.206 1339 E HN 0.522 nan 8.360 nan 0.000 0.409 1340 L N 2.134 123.337 121.223 -0.032 0.000 2.354 1340 L HA 0.538 4.879 4.340 0.002 0.000 0.269 1340 L C -1.316 175.448 176.870 -0.177 0.000 1.005 1340 L CA -0.892 53.921 54.840 -0.045 0.000 0.819 1340 L CB 1.127 43.086 42.059 -0.166 0.000 1.311 1340 L HN 0.557 nan 8.230 nan 0.000 0.423 1341 Y N 0.059 120.425 120.300 0.110 0.000 2.457 1341 Y HA 0.252 4.803 4.550 0.000 0.000 0.343 1341 Y C -0.412 175.566 175.900 0.130 0.000 0.994 1341 Y CA -0.815 57.350 58.100 0.109 0.000 1.031 1341 Y CB 2.178 40.687 38.460 0.082 0.000 1.246 1341 Y HN 0.389 nan 8.280 nan 0.000 0.449 1342 D N 2.628 123.177 120.400 0.249 0.000 2.485 1342 D HA 0.388 5.029 4.640 0.002 0.000 0.221 1342 D C 0.817 177.215 176.300 0.164 0.000 1.112 1342 D CA 1.156 55.262 54.000 0.176 0.000 0.911 1342 D CB 0.439 41.313 40.800 0.123 0.000 1.019 1342 D HN 0.872 nan 8.370 nan 0.000 0.516 1343 G N 5.593 114.479 108.800 0.143 0.000 2.634 1343 G HA2 -0.327 3.634 3.960 0.002 0.000 0.318 1343 G HA3 -0.327 3.634 3.960 0.002 0.000 0.318 1343 G C -1.426 173.554 174.900 0.132 0.000 1.207 1343 G CA 0.321 45.483 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 0.823 178.282 177.300 0.266 0.000 1.168 1344 P CA 1.161 64.337 63.100 0.127 0.000 0.793 1344 P CB 0.051 31.796 31.700 0.075 0.000 0.851 1345 R N 0.919 121.559 120.500 0.233 0.000 2.340 1345 R HA 0.262 4.603 4.340 0.002 0.000 0.300 1345 R C 0.013 176.390 176.300 0.127 0.000 1.069 1345 R CA -0.501 55.706 56.100 0.179 0.000 0.984 1345 R CB 0.407 30.763 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 4.450 4.340 0.002 0.000 0.258 1346 Q C 0.090 175.955 176.000 -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 2.332 121.812 119.600 -0.201 0.000 2.465 1347 M HA 0.371 4.852 4.480 0.002 0.000 0.249 1347 M C 0.566 176.871 176.300 0.009 0.000 1.130 1347 M CA 0.331 55.611 55.300 -0.034 0.000 1.067 1347 M CB 0.895 33.536 32.600 0.067 0.000 1.394 1347 M HN 0.725 nan 8.290 nan 0.000 0.483 1348 G N 1.100 109.880 108.800 -0.033 0.000 2.339 1348 G HA2 0.391 4.352 3.960 0.002 0.000 0.302 1348 G HA3 0.391 4.352 3.960 0.002 0.000 0.302 1348 G C -2.049 172.889 174.900 0.064 0.000 1.425 1348 G CA -1.074 44.036 45.100 0.017 0.000 0.899 1348 G HN 0.179 nan 8.290 nan 0.000 0.619 1349 R N -0.024 120.363 120.500 -0.188 0.000 2.502 1349 R HA 0.710 5.051 4.340 0.002 0.000 0.300 1349 R C -1.531 174.625 176.300 -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 0.589 nan 8.270 nan 0.000 0.444 1350 Y N 2.824 123.078 120.300 -0.077 0.000 2.570 1350 Y HA 0.668 5.219 4.550 0.001 0.000 0.345 1350 Y C 0.213 176.150 175.900 0.063 0.000 1.014 1350 Y CA -0.617 57.416 58.100 -0.112 0.000 1.063 1350 Y CB 2.084 40.369 38.460 -0.292 0.000 1.272 1350 Y HN 0.860 nan 8.280 nan 0.000 0.477 1351 c N -1.035 117.645 118.600 0.134 0.000 3.271 1351 c HA 0.934 5.505 4.570 0.002 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 43.595 42.510 0.125 0.000 1.807 1351 c HN 1.704 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 4.101 3.960 0.002 0.000 0.224 1352 G HA3 0.140 4.101 3.960 0.002 0.000 0.224 1352 G C 0.077 175.136 174.900 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 0.744 120.804 119.914 0.242 0.000 3.376 1353 V HA 0.323 4.444 4.120 0.002 0.000 0.313 1353 V C 0.177 176.372 176.094 0.169 0.000 1.393 1353 V CA 0.822 63.279 62.300 0.261 0.000 1.125 1353 V CB -0.380 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 1.603 122.030 120.400 0.046 0.000 2.343 1354 D HA 0.245 4.886 4.640 0.002 0.000 0.255 1354 D C -0.180 175.960 176.300 -0.268 0.000 1.187 1354 D CA 0.015 53.968 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 5.572 126.709 121.223 -0.144 0.000 2.433 1355 L HA 0.223 4.564 4.340 0.002 0.000 0.275 1355 L C -1.986 174.706 176.870 -0.297 0.000 1.128 1355 L CA -1.087 53.637 54.840 -0.194 0.000 0.875 1355 L CB 0.095 42.165 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 -2.573 174.644 177.300 -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 -1.122 0.000 0.949 1357 P HA 0.177 nan 4.420 nan 0.000 0.269 1357 P C -2.371 175.046 177.300 0.196 0.000 1.215 1357 P CA -0.905 62.255 63.100 0.100 0.000 0.780 1357 P CB -0.779 30.986 31.700 0.109 0.000 0.898 1358 P HA 0.300 nan 4.420 nan 0.000 0.273 1358 P C 0.273 177.746 177.300 0.289 0.000 1.252 1358 P CA 0.291 63.544 63.100 0.254 0.000 0.809 1358 P CB -0.024 31.786 31.700 0.183 0.000 1.017 1359 G N -2.166 106.812 108.800 0.297 0.000 2.342 1359 G HA2 0.526 4.487 3.960 0.002 0.000 0.297 1359 G HA3 0.526 4.487 3.960 0.002 0.000 0.297 1359 G C -1.807 173.080 174.900 -0.023 0.000 1.313 1359 G CA -0.359 44.887 45.100 0.243 0.000 0.830 1359 G HN 0.437 nan 8.290 nan 0.000 0.506 1360 S N -0.625 115.029 115.700 -0.076 0.000 2.543 1360 S HA 0.670 5.141 4.470 0.002 0.000 0.273 1360 S C -0.186 174.343 174.600 -0.118 0.000 1.152 1360 S CA -0.244 57.842 58.200 -0.190 0.000 0.910 1360 S CB 1.648 64.802 63.200 -0.078 0.000 1.105 1360 S HN 1.361 nan 8.310 nan 0.000 0.465 1361 T N -0.345 114.116 114.554 -0.154 0.000 2.907 1361 T HA 0.302 4.653 4.350 0.002 0.000 0.298 1361 T C 1.416 176.107 174.700 -0.015 0.000 1.017 1361 T CA -0.085 61.991 62.100 -0.039 0.000 1.118 1361 T CB 0.838 69.689 68.868 -0.027 0.000 0.948 1361 T HN 0.722 nan 8.240 nan 0.000 0.531 1362 T N -0.709 113.852 114.554 0.013 0.000 3.129 1362 T HA 0.185 4.536 4.350 0.002 0.000 0.251 1362 T C 0.857 175.566 174.700 0.017 0.000 1.117 1362 T CA 0.003 62.111 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 0.560 nan 8.240 nan 0.000 0.526 1363 S N 0.270 115.983 115.700 0.022 0.000 2.786 1363 S HA 0.560 5.031 4.470 0.002 0.000 0.307 1363 S C 1.276 175.887 174.600 0.018 0.000 1.121 1363 S CA -0.105 58.110 58.200 0.025 0.000 0.975 1363 S CB 1.645 64.869 63.200 0.040 0.000 1.220 1363 S HN 0.390 nan 8.310 nan 0.000 0.550 1364 S N 0.259 115.970 115.700 0.019 0.000 2.511 1364 S HA 0.331 4.802 4.470 0.002 0.000 0.214 1364 S C 0.291 174.899 174.600 0.013 0.000 0.997 1364 S CA -0.120 58.089 58.200 0.015 0.000 0.908 1364 S CB -0.086 63.123 63.200 0.015 0.000 0.803 1364 S HN 0.474 nan 8.310 nan 0.000 0.504 1365 K N 2.012 122.426 120.400 0.023 0.000 2.172 1365 K HA 0.353 4.674 4.320 0.002 0.000 0.276 1365 K C -1.187 175.446 176.600 0.054 0.000 1.013 1365 K CA -0.491 55.813 56.287 0.028 0.000 0.913 1365 K CB 1.474 33.993 32.500 0.033 0.000 1.055 1365 K HN 0.357 nan 8.250 nan 0.000 0.461 1366 L N 3.821 125.074 121.223 0.051 0.000 2.518 1366 L HA 0.308 4.649 4.340 0.002 0.000 0.262 1366 L C -1.270 175.670 176.870 0.117 0.000 0.982 1366 L CA -0.347 54.559 54.840 0.110 0.000 0.873 1366 L CB 1.517 43.628 42.059 0.086 0.000 1.198 1366 L HN 0.678 nan 8.230 nan 0.000 0.427 1367 Q N 3.394 123.302 119.800 0.181 0.000 2.257 1367 Q HA 0.588 4.929 4.340 0.002 0.000 0.255 1367 Q C -0.491 175.658 176.000 0.249 0.000 0.920 1367 Q CA -0.592 55.316 55.803 0.175 0.000 0.927 1367 Q CB 2.762 31.562 28.738 0.103 0.000 1.229 1367 Q HN 0.591 nan 8.270 nan 0.000 0.433 1368 V N 1.222 121.285 119.914 0.248 0.000 2.384 1368 V HA 0.577 4.698 4.120 0.002 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 0.278 0.000 0.850 1368 V CB 0.909 32.891 31.823 0.264 0.000 0.987 1368 V HN 0.600 nan 8.190 nan 0.000 0.436 1369 L N 5.682 127.070 121.223 0.274 0.000 2.313 1369 L HA 0.649 4.990 4.340 0.002 0.000 0.283 1369 L C -0.710 176.263 176.870 0.170 0.000 1.013 1369 L CA -0.614 54.350 54.840 0.207 0.000 0.816 1369 L CB 1.881 44.089 42.059 0.248 0.000 1.236 1369 L HN 0.659 nan 8.230 nan 0.000 0.419 1370 L N 5.030 126.304 121.223 0.084 0.000 2.345 1370 L HA 0.546 4.887 4.340 0.002 0.000 0.274 1370 L C -1.386 175.370 176.870 -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 4.258 125.216 121.223 -0.441 0.000 2.282 1371 L HA 0.690 5.031 4.340 0.002 0.000 0.288 1371 L C 0.410 177.011 176.870 -0.449 0.000 1.033 1371 L CA 0.238 54.768 54.840 -0.515 0.000 0.807 1371 L CB 1.660 43.297 42.059 -0.704 0.000 1.209 1371 L HN 0.700 nan 8.230 nan 0.000 0.423 1372 T N 1.789 116.172 114.554 -0.284 0.000 2.893 1372 T HA 0.573 4.924 4.350 0.002 0.000 0.291 1372 T C -0.652 173.990 174.700 -0.096 0.000 1.028 1372 T CA -0.727 61.300 62.100 -0.123 0.000 0.995 1372 T CB 0.985 69.865 68.868 0.021 0.000 1.051 1372 T HN 0.700 nan 8.240 nan 0.000 0.470 1373 D N 1.872 122.263 120.400 -0.015 0.000 2.567 1373 D HA 0.353 4.994 4.640 0.002 0.000 0.275 1373 D C 1.135 177.435 176.300 0.000 0.000 1.195 1373 D CA -0.346 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 -1.245 107.553 108.800 -0.003 0.000 3.314 1374 G HA2 0.421 4.382 3.960 0.002 0.000 0.238 1374 G HA3 0.421 4.382 3.960 0.002 0.000 0.238 1374 G C 0.172 175.065 174.900 -0.011 0.000 1.184 1374 G CA 0.404 45.499 45.100 -0.008 0.000 0.806 1374 G HN 0.552 nan 8.290 nan 0.000 0.536 1375 V N -4.171 115.739 119.914 -0.008 0.000 3.181 1375 V HA 1.042 5.163 4.120 0.002 0.000 0.308 1375 V C -0.182 175.890 176.094 -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 0.686 nan 8.190 nan 0.000 0.441 1376 G N 1.227 109.993 108.800 -0.057 0.000 2.556 1376 G HA2 0.496 4.457 3.960 0.002 0.000 0.294 1376 G HA3 0.496 4.457 3.960 0.002 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 1.476 nan 8.290 nan 0.000 0.535 1377 R N -0.203 120.260 120.500 -0.062 0.000 2.323 1377 R HA 0.242 4.583 4.340 0.002 0.000 0.198 1377 R C 0.659 176.908 176.300 -0.085 0.000 0.988 1377 R CA 0.249 56.317 56.100 -0.053 0.000 1.041 1377 R CB -0.022 30.265 30.300 -0.022 0.000 0.926 1377 R HN 0.359 nan 8.270 nan 0.000 0.476 1378 R N 1.249 121.663 120.500 -0.143 0.000 3.008 1378 R HA -0.087 4.254 4.340 0.002 0.000 0.267 1378 R C -1.206 174.988 176.300 -0.177 0.000 1.021 1378 R CA 0.791 56.774 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 1.673 121.743 120.200 -0.216 0.000 2.343 1379 E HA 0.216 4.567 4.350 0.002 0.000 0.269 1379 E C 0.467 177.017 176.600 -0.083 0.000 1.047 1379 E CA -0.589 55.760 56.400 -0.084 0.000 0.874 1379 E CB 1.204 30.940 29.700 0.061 0.000 1.033 1379 E HN -0.005 nan 8.360 nan 0.000 0.409 1380 K N 1.029 121.456 120.400 0.044 0.000 2.057 1380 K HA -0.010 4.311 4.320 0.002 0.000 0.206 1380 K C 1.153 177.875 176.600 0.203 0.000 1.050 1380 K CA 1.417 57.689 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 0.251 109.305 108.800 0.425 0.000 2.217 1381 G HA2 0.018 3.979 3.960 0.002 0.000 0.173 1381 G HA3 0.018 3.979 3.960 0.002 0.000 0.173 1381 G C -1.204 173.846 174.900 0.251 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 -0.904 119.048 119.950 0.003 0.000 2.711 1382 F HA 0.906 5.434 4.527 0.002 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 -0.210 0.000 0.941 1382 F CB 1.781 40.581 39.000 -0.334 0.000 1.349 1382 F HN 0.722 nan 8.300 nan 0.000 0.464 1383 Q N 2.028 121.659 119.800 -0.282 0.000 2.320 1383 Q HA 0.710 5.051 4.340 0.002 0.000 0.272 1383 Q C -1.722 174.259 176.000 -0.033 0.000 1.023 1383 Q CA -0.983 54.548 55.803 -0.455 0.000 0.855 1383 Q CB 3.023 31.405 28.738 -0.594 0.000 1.367 1383 Q HN 0.859 nan 8.270 nan 0.000 0.406 1384 M N -0.366 119.154 119.600 -0.132 0.000 2.520 1384 M HA 0.476 4.957 4.480 0.002 0.000 0.280 1384 M C -1.514 174.676 176.300 -0.182 0.000 1.232 1384 M CA -0.781 54.355 55.300 -0.274 0.000 0.892 1384 M CB 1.927 33.979 32.600 -0.914 0.000 1.728 1384 M HN 0.327 nan 8.290 nan 0.000 0.475 1385 Q N 0.858 120.540 119.800 -0.197 0.000 2.221 1385 Q HA 0.769 5.110 4.340 0.002 0.000 0.242 1385 Q C -1.625 174.325 176.000 -0.083 0.000 0.940 1385 Q CA -0.374 55.299 55.803 -0.217 0.000 0.896 1385 Q CB 1.701 30.268 28.738 -0.285 0.000 1.226 1385 Q HN 0.819 nan 8.270 nan 0.000 0.463 1386 W N 0.540 121.647 121.300 -0.321 0.000 3.118 1386 W HA 0.696 5.358 4.660 0.002 0.000 0.328 1386 W C -2.294 174.026 176.519 -0.331 0.000 1.239 1386 W CA -0.811 56.369 57.345 -0.274 0.000 1.176 1386 W CB 0.486 29.882 29.460 -0.106 0.000 1.433 1386 W HN 0.419 nan 8.180 nan 0.000 0.562 1387 F N 0.840 121.001 119.950 0.351 0.000 2.835 1387 F HA 0.858 5.386 4.527 0.001 0.000 0.373 1387 F C 0.172 176.108 175.800 0.227 0.000 1.209 1387 F CA -1.395 56.726 58.000 0.202 0.000 1.082 1387 F CB 1.129 40.177 39.000 0.080 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 4.121 4.120 0.002 0.000 0.244 1388 V CA 0.000 62.427 62.300 0.212 0.000 1.235 1388 V CB 0.000 31.945 31.823 0.203 0.000 1.184 1388 V HN 0.000 nan 8.190 nan 0.000 0.556