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 3f5p_1_A DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEMX XXXXLAPPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEENK 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.669 174.600 0.114 0.000 1.055 980 S CA 0.000 58.253 58.200 0.089 0.000 1.107 980 S CB 0.000 63.238 63.200 0.063 0.000 0.593 981 F N 4.768 124.729 119.950 0.017 0.000 2.472 981 F HA 0.596 5.123 4.527 -0.000 0.000 0.364 981 F C 0.589 176.407 175.800 0.030 0.000 1.090 981 F CA 0.729 58.742 58.000 0.022 0.000 1.188 981 F CB 0.668 39.678 39.000 0.018 0.000 1.105 981 F HN 0.636 nan 8.300 nan 0.000 0.536 982 S N 3.673 119.193 115.700 -0.299 0.000 2.685 982 S HA 0.714 5.184 4.470 -0.000 0.000 0.282 982 S C 0.550 175.015 174.600 -0.225 0.000 1.159 982 S CA -0.475 57.640 58.200 -0.142 0.000 0.833 982 S CB 1.153 64.315 63.200 -0.063 0.000 1.151 982 S HN 0.790 nan 8.310 nan 0.000 0.485 983 A N 0.839 123.638 122.820 -0.034 0.000 1.948 983 A HA 0.097 4.417 4.320 -0.000 0.000 0.220 983 A C 2.296 179.924 177.584 0.072 0.000 1.177 983 A CA 2.221 54.316 52.037 0.097 0.000 0.636 983 A CB -1.715 17.307 19.000 0.036 0.000 0.815 983 A HN 1.558 nan 8.150 nan 0.000 0.449 984 A N -0.391 122.410 122.820 -0.032 0.000 2.032 984 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 984 A C 1.769 179.301 177.584 -0.087 0.000 1.165 984 A CA 1.831 53.847 52.037 -0.036 0.000 0.645 984 A CB -0.510 18.468 19.000 -0.035 0.000 0.807 984 A HN 0.581 nan 8.150 nan 0.000 0.453 985 D N -0.951 119.307 120.400 -0.236 0.000 2.234 985 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 985 D C 2.007 178.179 176.300 -0.214 0.000 0.962 985 D CA 1.568 55.383 54.000 -0.309 0.000 0.855 985 D CB 0.232 40.627 40.800 -0.675 0.000 0.951 985 D HN 0.424 nan 8.370 nan 0.000 0.500 986 V N -1.040 118.754 119.914 -0.200 0.000 2.581 986 V HA -0.050 4.070 4.120 -0.000 0.000 0.240 986 V C 1.523 177.511 176.094 -0.177 0.000 1.054 986 V CA 0.597 62.795 62.300 -0.170 0.000 1.076 986 V CB -0.575 31.118 31.823 -0.217 0.000 0.748 986 V HN -0.007 nan 8.190 nan 0.000 0.474 987 Y N 1.947 122.201 120.300 -0.077 0.000 2.578 987 Y HA 0.326 4.876 4.550 -0.000 0.000 0.297 987 Y C 0.903 176.747 175.900 -0.093 0.000 1.176 987 Y CA 0.831 58.884 58.100 -0.078 0.000 1.315 987 Y CB 0.086 38.489 38.460 -0.096 0.000 1.031 987 Y HN 0.318 nan 8.280 nan 0.000 0.524 988 V N -2.168 117.773 119.914 0.045 0.000 2.444 988 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 988 V C -2.862 173.283 176.094 0.084 0.000 1.022 988 V CA -3.350 58.963 62.300 0.022 0.000 0.850 988 V CB 1.388 33.208 31.823 -0.005 0.000 0.992 988 V HN -0.212 nan 8.190 nan 0.000 0.426 989 P HA 0.132 nan 4.420 nan 0.000 0.261 989 P C 0.111 177.519 177.300 0.181 0.000 1.183 989 P CA 0.274 63.488 63.100 0.189 0.000 0.761 989 P CB 0.417 32.308 31.700 0.318 0.000 0.785 990 D N 1.952 122.399 120.400 0.079 0.000 2.403 990 D HA -0.121 4.519 4.640 -0.000 0.000 0.227 990 D C 0.784 177.094 176.300 0.016 0.000 0.995 990 D CA 0.857 54.887 54.000 0.049 0.000 0.928 990 D CB -0.100 40.712 40.800 0.020 0.000 0.887 990 D HN 0.590 nan 8.370 nan 0.000 0.529 991 E N -1.252 118.936 120.200 -0.019 0.000 2.403 991 E HA 0.006 4.356 4.350 -0.000 0.000 0.187 991 E C 0.407 176.764 176.600 -0.404 0.000 1.073 991 E CA -0.099 56.182 56.400 -0.199 0.000 0.888 991 E CB -0.024 29.516 29.700 -0.266 0.000 1.035 991 E HN 0.427 nan 8.360 nan 0.000 0.471 992 W N 1.309 122.588 121.300 -0.034 0.000 2.252 992 W HA 0.237 4.897 4.660 -0.000 0.000 0.338 992 W C 0.389 176.888 176.519 -0.033 0.000 0.914 992 W CA -0.566 56.756 57.345 -0.038 0.000 1.754 992 W CB 0.837 30.265 29.460 -0.054 0.000 1.135 992 W HN -0.062 nan 8.180 nan 0.000 0.531 993 E N 1.656 121.930 120.200 0.125 0.000 2.248 993 E HA 0.490 4.840 4.350 -0.000 0.000 0.272 993 E C -0.688 175.941 176.600 0.048 0.000 1.008 993 E CA -0.657 55.793 56.400 0.082 0.000 0.856 993 E CB 1.877 31.607 29.700 0.050 0.000 1.120 993 E HN -0.120 nan 8.360 nan 0.000 0.397 994 V N 0.798 120.738 119.914 0.043 0.000 2.932 994 V HA 0.767 4.887 4.120 -0.000 0.000 0.307 994 V C -0.958 175.148 176.094 0.020 0.000 1.147 994 V CA -0.489 61.828 62.300 0.028 0.000 0.951 994 V CB 1.444 33.288 31.823 0.034 0.000 1.031 994 V HN 0.857 nan 8.190 nan 0.000 0.426 995 A N 4.363 127.190 122.820 0.012 0.000 2.524 995 A HA 0.365 4.685 4.320 -0.000 0.000 0.250 995 A C 1.204 178.793 177.584 0.007 0.000 1.078 995 A CA 0.500 52.542 52.037 0.008 0.000 0.761 995 A CB -0.127 18.875 19.000 0.004 0.000 1.012 995 A HN 1.193 nan 8.150 nan 0.000 0.500 996 R N 1.348 121.852 120.500 0.005 0.000 2.276 996 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 996 R C 1.340 177.637 176.300 -0.004 0.000 1.161 996 R CA 1.952 58.053 56.100 0.001 0.000 1.007 996 R CB 0.036 30.334 30.300 -0.003 0.000 0.867 996 R HN 0.904 nan 8.270 nan 0.000 0.472 997 E N 0.351 120.550 120.200 -0.002 0.000 2.158 997 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 997 E C 1.327 177.926 176.600 -0.003 0.000 0.982 997 E CA 0.773 57.171 56.400 -0.004 0.000 0.823 997 E CB -0.139 29.559 29.700 -0.003 0.000 0.766 997 E HN 0.382 nan 8.360 nan 0.000 0.468 998 K N 0.443 120.843 120.400 0.001 0.000 2.283 998 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 998 K C 0.548 177.151 176.600 0.004 0.000 1.048 998 K CA 0.471 56.760 56.287 0.003 0.000 0.948 998 K CB 0.193 32.696 32.500 0.006 0.000 0.742 998 K HN 0.100 nan 8.250 nan 0.000 0.458 999 I N 1.982 122.554 120.570 0.003 0.000 2.304 999 I HA 0.040 4.210 4.170 -0.000 0.000 0.291 999 I C 0.349 176.461 176.117 -0.009 0.000 1.018 999 I CA -0.152 61.150 61.300 0.003 0.000 1.260 999 I CB 0.860 38.865 38.000 0.007 0.000 1.390 999 I HN -0.119 nan 8.210 nan 0.000 0.475 1000 T N 7.216 121.766 114.554 -0.007 0.000 2.779 1000 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 1000 T C -0.206 174.484 174.700 -0.017 0.000 0.987 1000 T CA -0.727 61.363 62.100 -0.016 0.000 0.966 1000 T CB 0.726 69.589 68.868 -0.009 0.000 0.933 1000 T HN 0.408 nan 8.240 nan 0.000 0.442 1001 M N 3.900 123.471 119.600 -0.048 0.000 2.318 1001 M HA 0.376 4.856 4.480 -0.000 0.000 0.347 1001 M C 0.490 176.778 176.300 -0.020 0.000 1.175 1001 M CA -0.757 54.512 55.300 -0.052 0.000 1.075 1001 M CB 1.774 34.252 32.600 -0.203 0.000 1.614 1001 M HN 0.713 nan 8.290 nan 0.000 0.456 1002 S N 1.480 117.202 115.700 0.038 0.000 3.037 1002 S HA 0.309 4.779 4.470 -0.000 0.000 0.173 1002 S C 0.163 174.819 174.600 0.094 0.000 0.681 1002 S CA -0.194 58.035 58.200 0.049 0.000 0.807 1002 S CB 0.398 63.626 63.200 0.046 0.000 0.789 1002 S HN 0.772 nan 8.310 nan 0.000 0.637 1003 R N 1.387 121.962 120.500 0.125 0.000 2.854 1003 R HA 0.636 4.976 4.340 -0.000 0.000 0.271 1003 R C -1.289 175.119 176.300 0.180 0.000 0.996 1003 R CA -0.754 55.431 56.100 0.141 0.000 0.961 1003 R CB 0.817 31.160 30.300 0.072 0.000 1.182 1003 R HN 0.106 nan 8.270 nan 0.000 0.479 1004 E N 1.126 121.393 120.200 0.112 0.000 2.414 1004 E HA -0.007 4.343 4.350 -0.000 0.000 0.263 1004 E C 0.102 176.643 176.600 -0.099 0.000 1.000 1004 E CA 0.014 56.345 56.400 -0.116 0.000 0.914 1004 E CB 0.797 30.400 29.700 -0.162 0.000 0.948 1004 E HN 0.492 nan 8.360 nan 0.000 0.444 1005 L N 1.452 122.580 121.223 -0.158 0.000 2.388 1005 L HA 0.289 4.629 4.340 -0.000 0.000 0.209 1005 L C 1.007 177.814 176.870 -0.105 0.000 1.061 1005 L CA 0.430 55.216 54.840 -0.091 0.000 0.834 1005 L CB 0.305 42.328 42.059 -0.060 0.000 1.029 1005 L HN 0.731 nan 8.230 nan 0.000 0.473 1006 G N -0.926 107.777 108.800 -0.162 0.000 2.321 1006 G HA2 0.133 4.093 3.960 -0.000 0.000 0.298 1006 G HA3 0.133 4.093 3.960 -0.000 0.000 0.298 1006 G C -1.836 172.974 174.900 -0.151 0.000 1.385 1006 G CA -0.711 44.310 45.100 -0.132 0.000 0.856 1006 G HN -0.168 nan 8.290 nan 0.000 0.584 1007 Q N -0.637 119.094 119.800 -0.114 0.000 2.474 1007 Q HA 0.565 4.905 4.340 -0.000 0.000 0.256 1007 Q C 0.570 176.517 176.000 -0.089 0.000 1.048 1007 Q CA 1.287 57.027 55.803 -0.105 0.000 0.922 1007 Q CB 0.943 29.629 28.738 -0.086 0.000 1.288 1007 Q HN 1.317 nan 8.270 nan 0.000 0.484 1008 G N -0.229 108.522 108.800 -0.083 0.000 2.642 1008 G HA2 0.393 4.353 3.960 -0.000 0.000 0.293 1008 G HA3 0.393 4.353 3.960 -0.000 0.000 0.293 1008 G C 0.293 175.133 174.900 -0.100 0.000 1.341 1008 G CA -0.176 44.889 45.100 -0.058 0.000 0.916 1008 G HN 0.722 nan 8.290 nan 0.000 0.474 1009 S N -0.287 115.342 115.700 -0.119 0.000 2.389 1009 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 1009 S C 1.303 175.576 174.600 -0.546 0.000 1.052 1009 S CA 1.839 59.828 58.200 -0.351 0.000 1.053 1009 S CB -0.365 62.595 63.200 -0.399 0.000 0.886 1009 S HN 0.421 nan 8.310 nan 0.000 0.456 1010 F N 1.622 121.487 119.950 -0.143 0.000 2.729 1010 F HA 0.598 5.125 4.527 -0.000 0.000 0.315 1010 F C 1.237 176.849 175.800 -0.313 0.000 1.102 1010 F CA 0.001 57.828 58.000 -0.288 0.000 1.204 1010 F CB 1.289 39.930 39.000 -0.597 0.000 1.052 1010 F HN 0.581 nan 8.300 nan 0.000 0.551 1011 G N 0.193 108.943 108.800 -0.082 0.000 2.325 1011 G HA2 0.360 4.320 3.960 -0.000 0.000 0.295 1011 G HA3 0.360 4.320 3.960 -0.000 0.000 0.295 1011 G C -1.927 172.941 174.900 -0.054 0.000 1.274 1011 G CA -1.017 44.041 45.100 -0.070 0.000 0.857 1011 G HN -0.071 nan 8.290 nan 0.000 0.499 1012 M N 0.984 120.566 119.600 -0.029 0.000 2.300 1012 M HA 0.715 5.195 4.480 -0.000 0.000 0.348 1012 M C -0.633 175.570 176.300 -0.163 0.000 1.151 1012 M CA -0.487 54.735 55.300 -0.130 0.000 1.046 1012 M CB 1.770 34.262 32.600 -0.180 0.000 1.647 1012 M HN 0.392 nan 8.290 nan 0.000 0.451 1013 V N 5.852 125.620 119.914 -0.243 0.000 2.509 1013 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 1013 V C -1.007 174.882 176.094 -0.341 0.000 1.047 1013 V CA -0.351 61.862 62.300 -0.145 0.000 0.952 1013 V CB 0.736 32.524 31.823 -0.059 0.000 0.988 1013 V HN 0.815 nan 8.190 nan 0.000 0.469 1014 Y N 1.387 121.697 120.300 0.016 0.000 2.462 1014 Y HA 0.467 5.017 4.550 -0.000 0.000 0.346 1014 Y C 0.292 176.200 175.900 0.014 0.000 0.976 1014 Y CA -0.771 57.337 58.100 0.012 0.000 1.044 1014 Y CB 1.670 40.137 38.460 0.011 0.000 1.230 1014 Y HN 0.675 nan 8.280 nan 0.000 0.455 1015 E N 1.134 121.425 120.200 0.151 0.000 2.345 1015 E HA 0.656 5.006 4.350 -0.000 0.000 0.259 1015 E C -0.091 176.570 176.600 0.101 0.000 1.117 1015 E CA -0.090 56.368 56.400 0.097 0.000 0.913 1015 E CB 1.133 30.868 29.700 0.058 0.000 1.057 1015 E HN 0.901 nan 8.360 nan 0.000 0.432 1016 G N 0.227 109.066 108.800 0.066 0.000 2.336 1016 G HA2 0.311 4.271 3.960 -0.000 0.000 0.286 1016 G HA3 0.311 4.271 3.960 -0.000 0.000 0.286 1016 G C -1.559 173.361 174.900 0.035 0.000 1.269 1016 G CA -0.251 44.878 45.100 0.048 0.000 0.873 1016 G HN 0.519 nan 8.290 nan 0.000 0.494 1017 V N -0.441 119.488 119.914 0.025 0.000 2.735 1017 V HA 0.847 4.967 4.120 -0.000 0.000 0.310 1017 V C 0.172 176.277 176.094 0.019 0.000 1.061 1017 V CA -0.339 61.973 62.300 0.021 0.000 0.913 1017 V CB 1.464 33.296 31.823 0.015 0.000 1.005 1017 V HN 1.898 nan 8.190 nan 0.000 0.428 1018 A N 3.292 126.125 122.820 0.021 0.000 2.323 1018 A HA 0.614 4.934 4.320 -0.000 0.000 0.305 1018 A C -0.169 177.424 177.584 0.016 0.000 1.275 1018 A CA -0.722 51.327 52.037 0.020 0.000 0.804 1018 A CB 0.407 19.424 19.000 0.028 0.000 1.152 1018 A HN 0.823 nan 8.150 nan 0.000 0.487 1019 K N 1.097 121.504 120.400 0.011 0.000 2.448 1019 K HA 0.349 4.669 4.320 -0.000 0.000 0.278 1019 K C 1.159 177.764 176.600 0.007 0.000 1.009 1019 K CA 0.991 57.283 56.287 0.008 0.000 0.995 1019 K CB 0.466 32.969 32.500 0.005 0.000 0.917 1019 K HN 1.414 nan 8.250 nan 0.000 0.481 1020 G N 1.541 110.344 108.800 0.005 0.000 2.341 1020 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.292 1020 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.292 1020 G C 0.522 175.423 174.900 0.001 0.000 1.021 1020 G CA 0.576 45.677 45.100 0.001 0.000 0.905 1020 G HN 0.481 nan 8.290 nan 0.000 0.508 1021 V N -3.584 116.335 119.914 0.008 0.000 3.431 1021 V HA 0.392 4.512 4.120 -0.000 0.000 0.253 1021 V C 1.139 177.239 176.094 0.010 0.000 1.184 1021 V CA 0.673 62.980 62.300 0.012 0.000 1.104 1021 V CB 0.490 32.328 31.823 0.026 0.000 0.799 1021 V HN 0.352 nan 8.190 nan 0.000 0.462 1022 V N 2.093 122.013 119.914 0.010 0.000 2.370 1022 V HA 0.426 4.546 4.120 -0.000 0.000 0.283 1022 V C -0.164 175.930 176.094 0.001 0.000 1.023 1022 V CA -1.151 61.154 62.300 0.009 0.000 0.857 1022 V CB 1.185 33.018 31.823 0.016 0.000 0.985 1022 V HN 0.389 nan 8.190 nan 0.000 0.443 1023 K N 4.110 124.507 120.400 -0.005 0.000 2.440 1023 K HA 0.138 4.458 4.320 -0.000 0.000 0.275 1023 K C 0.223 176.818 176.600 -0.007 0.000 1.082 1023 K CA 0.517 56.798 56.287 -0.010 0.000 1.135 1023 K CB -0.455 32.035 32.500 -0.015 0.000 0.864 1023 K HN 0.718 nan 8.250 nan 0.000 0.479 1024 D N 0.519 120.915 120.400 -0.007 0.000 2.876 1024 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 1024 D C -0.753 175.546 176.300 -0.002 0.000 1.014 1024 D CA 1.052 55.049 54.000 -0.005 0.000 1.012 1024 D CB -1.104 39.692 40.800 -0.006 0.000 1.080 1024 D HN 0.753 nan 8.370 nan 0.000 0.438 1025 E N -0.197 120.003 120.200 0.000 0.000 2.151 1025 E HA 0.302 4.652 4.350 -0.000 0.000 0.275 1025 E C -1.732 174.869 176.600 0.003 0.000 0.936 1025 E CA -1.804 54.599 56.400 0.003 0.000 0.777 1025 E CB 1.798 31.503 29.700 0.007 0.000 1.108 1025 E HN -0.083 nan 8.360 nan 0.000 0.401 1026 P HA -0.021 nan 4.420 nan 0.000 0.222 1026 P C -0.458 176.844 177.300 0.005 0.000 1.153 1026 P CA 0.890 63.991 63.100 0.003 0.000 0.798 1026 P CB 0.605 32.307 31.700 0.002 0.000 0.796 1027 E N -1.485 118.719 120.200 0.007 0.000 2.383 1027 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 1027 E C -0.962 175.645 176.600 0.012 0.000 0.918 1027 E CA -0.441 55.964 56.400 0.009 0.000 0.764 1027 E CB 2.446 32.152 29.700 0.009 0.000 1.252 1027 E HN -0.217 nan 8.360 nan 0.000 0.449 1028 T N 1.146 115.709 114.554 0.015 0.000 2.916 1028 T HA 0.408 4.758 4.350 -0.000 0.000 0.305 1028 T C -0.381 174.331 174.700 0.020 0.000 1.119 1028 T CA -0.834 61.277 62.100 0.018 0.000 1.008 1028 T CB 1.650 70.531 68.868 0.022 0.000 1.129 1028 T HN 0.216 nan 8.240 nan 0.000 0.480 1029 R N 1.265 121.776 120.500 0.019 0.000 2.357 1029 R HA 0.698 5.038 4.340 -0.000 0.000 0.296 1029 R C -0.205 176.110 176.300 0.025 0.000 1.052 1029 R CA -0.509 55.603 56.100 0.021 0.000 0.988 1029 R CB 0.856 31.165 30.300 0.015 0.000 1.025 1029 R HN 0.560 nan 8.270 nan 0.000 0.469 1030 V N -1.269 118.664 119.914 0.032 0.000 3.188 1030 V HA 0.855 4.975 4.120 -0.000 0.000 0.305 1030 V C -0.924 175.199 176.094 0.049 0.000 1.232 1030 V CA -1.300 61.024 62.300 0.040 0.000 1.043 1030 V CB 1.959 33.809 31.823 0.045 0.000 1.068 1030 V HN 0.806 nan 8.190 nan 0.000 0.439 1031 A N 2.735 125.588 122.820 0.054 0.000 2.305 1031 A HA 0.902 5.222 4.320 -0.000 0.000 0.322 1031 A C -0.564 177.074 177.584 0.090 0.000 1.187 1031 A CA -0.673 51.405 52.037 0.068 0.000 0.825 1031 A CB 0.636 19.669 19.000 0.054 0.000 1.164 1031 A HN 0.851 nan 8.150 nan 0.000 0.498 1032 I N 1.575 122.221 120.570 0.126 0.000 2.465 1032 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 1032 I C -0.058 176.181 176.117 0.204 0.000 1.014 1032 I CA -0.455 60.934 61.300 0.149 0.000 1.093 1032 I CB 1.556 39.637 38.000 0.135 0.000 1.267 1032 I HN 0.763 nan 8.210 nan 0.000 0.431 1033 K N 4.062 124.571 120.400 0.182 0.000 2.207 1033 K HA 0.626 4.946 4.320 -0.000 0.000 0.255 1033 K C -0.475 176.227 176.600 0.171 0.000 0.941 1033 K CA -0.343 56.056 56.287 0.187 0.000 0.825 1033 K CB 1.641 34.259 32.500 0.196 0.000 1.119 1033 K HN 0.787 nan 8.250 nan 0.000 0.430 1034 T N 0.005 114.654 114.554 0.159 0.000 2.786 1034 T HA 0.427 4.777 4.350 -0.000 0.000 0.283 1034 T C -0.438 174.261 174.700 -0.001 0.000 0.992 1034 T CA -0.859 61.301 62.100 0.100 0.000 0.954 1034 T CB 1.021 69.980 68.868 0.151 0.000 0.934 1034 T HN 0.170 nan 8.240 nan 0.000 0.440 1035 V N 4.484 124.359 119.914 -0.064 0.000 2.407 1035 V HA 0.421 4.541 4.120 -0.000 0.000 0.278 1035 V C 0.436 176.495 176.094 -0.058 0.000 1.037 1035 V CA -1.162 61.053 62.300 -0.142 0.000 0.900 1035 V CB 0.310 31.977 31.823 -0.260 0.000 0.983 1035 V HN 1.061 nan 8.190 nan 0.000 0.459 1036 N N 2.173 120.846 118.700 -0.044 0.000 2.508 1036 N HA 0.326 5.066 4.740 -0.000 0.000 0.285 1036 N C 0.578 176.076 175.510 -0.020 0.000 1.144 1036 N CA -0.843 52.196 53.050 -0.019 0.000 0.978 1036 N CB 1.506 39.990 38.487 -0.006 0.000 1.180 1036 N HN 0.602 nan 8.380 nan 0.000 0.484 1037 E N 0.591 120.785 120.200 -0.009 0.000 2.169 1037 E HA -0.287 4.063 4.350 -0.000 0.000 0.202 1037 E C 0.900 177.497 176.600 -0.005 0.000 1.016 1037 E CA 1.518 57.915 56.400 -0.004 0.000 0.817 1037 E CB -0.229 29.473 29.700 0.002 0.000 0.736 1037 E HN 0.758 nan 8.360 nan 0.000 0.462 1038 A N 0.519 123.335 122.820 -0.005 0.000 2.358 1038 A HA 0.311 4.631 4.320 -0.000 0.000 0.232 1038 A C 0.102 177.682 177.584 -0.008 0.000 1.498 1038 A CA 0.679 52.713 52.037 -0.004 0.000 1.400 1038 A CB -0.445 18.553 19.000 -0.004 0.000 0.852 1038 A HN 0.169 nan 8.150 nan 0.000 0.605 1039 A N 0.558 123.373 122.820 -0.009 0.000 2.402 1039 A HA 0.611 4.930 4.320 -0.000 0.000 0.291 1039 A C 0.361 177.943 177.584 -0.004 0.000 1.051 1039 A CA -0.014 52.018 52.037 -0.008 0.000 0.716 1039 A CB 0.395 19.379 19.000 -0.026 0.000 1.223 1039 A HN 1.111 nan 8.150 nan 0.000 0.425 1040 S N 2.523 118.227 115.700 0.006 0.000 2.549 1040 S HA 0.023 4.493 4.470 -0.000 0.000 0.278 1040 S C 1.278 175.877 174.600 -0.002 0.000 1.344 1040 S CA 0.555 58.759 58.200 0.007 0.000 1.025 1040 S CB 0.052 63.260 63.200 0.013 0.000 0.851 1040 S HN 1.026 nan 8.310 nan 0.000 0.530 1041 M N 1.187 120.788 119.600 0.000 0.000 2.159 1041 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 1041 M C 2.450 178.726 176.300 -0.040 0.000 1.063 1041 M CA 1.319 56.613 55.300 -0.011 0.000 1.110 1041 M CB -0.199 32.410 32.600 0.016 0.000 1.374 1041 M HN 0.752 nan 8.290 nan 0.000 0.411 1042 R N 0.469 120.957 120.500 -0.020 0.000 2.103 1042 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 1042 R C 2.061 178.342 176.300 -0.032 0.000 1.132 1042 R CA 2.150 58.235 56.100 -0.026 0.000 0.925 1042 R CB -0.805 29.497 30.300 0.004 0.000 0.842 1042 R HN 0.523 nan 8.270 nan 0.000 0.430 1043 E N 0.063 120.269 120.200 0.010 0.000 2.086 1043 E HA -0.270 4.080 4.350 -0.000 0.000 0.200 1043 E C 2.082 178.650 176.600 -0.053 0.000 1.012 1043 E CA 1.339 57.774 56.400 0.057 0.000 0.812 1043 E CB -0.240 29.514 29.700 0.089 0.000 0.743 1043 E HN 0.278 nan 8.360 nan 0.000 0.453 1044 R N 0.373 120.827 120.500 -0.077 0.000 2.070 1044 R HA -0.096 4.244 4.340 -0.000 0.000 0.233 1044 R C 2.624 178.819 176.300 -0.175 0.000 1.137 1044 R CA 1.186 57.228 56.100 -0.097 0.000 0.945 1044 R CB -0.257 30.003 30.300 -0.067 0.000 0.845 1044 R HN 0.125 nan 8.270 nan 0.000 0.430 1045 I N 0.690 121.099 120.570 -0.268 0.000 2.118 1045 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 1045 I C 2.578 178.453 176.117 -0.403 0.000 1.070 1045 I CA 1.560 62.554 61.300 -0.510 0.000 1.327 1045 I CB -0.553 37.105 38.000 -0.570 0.000 1.034 1045 I HN 0.417 nan 8.210 nan 0.000 0.405 1046 E N 0.857 120.905 120.200 -0.254 0.000 2.033 1046 E HA -0.299 4.051 4.350 -0.000 0.000 0.199 1046 E C 2.213 178.626 176.600 -0.310 0.000 1.011 1046 E CA 1.978 58.262 56.400 -0.195 0.000 0.815 1046 E CB -0.272 29.398 29.700 -0.049 0.000 0.755 1046 E HN 0.389 nan 8.360 nan 0.000 0.451 1047 F N 1.424 120.933 119.950 -0.735 0.000 2.111 1047 F HA -0.292 4.235 4.527 -0.000 0.000 0.300 1047 F C 1.968 177.439 175.800 -0.547 0.000 1.088 1047 F CA 1.314 58.663 58.000 -1.085 0.000 1.243 1047 F CB -0.232 37.883 39.000 -1.475 0.000 0.996 1047 F HN 0.058 nan 8.300 nan 0.000 0.483 1048 L N 0.416 121.291 121.223 -0.579 0.000 2.056 1048 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 1048 L C 2.202 178.800 176.870 -0.452 0.000 1.078 1048 L CA 1.821 56.329 54.840 -0.555 0.000 0.749 1048 L CB -1.888 39.979 42.059 -0.320 0.000 0.901 1048 L HN 0.314 nan 8.230 nan 0.000 0.433 1049 N N -0.239 118.252 118.700 -0.348 0.000 2.166 1049 N HA -0.249 4.491 4.740 -0.000 0.000 0.186 1049 N C 1.739 177.090 175.510 -0.265 0.000 1.019 1049 N CA 1.116 54.019 53.050 -0.245 0.000 0.856 1049 N CB 0.096 38.482 38.487 -0.170 0.000 0.993 1049 N HN 0.429 nan 8.380 nan 0.000 0.426 1050 E N 1.209 121.237 120.200 -0.287 0.000 2.058 1050 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 1050 E C 1.961 178.367 176.600 -0.325 0.000 0.997 1050 E CA 1.257 57.515 56.400 -0.237 0.000 0.801 1050 E CB -0.071 29.536 29.700 -0.154 0.000 0.746 1050 E HN 0.334 nan 8.360 nan 0.000 0.450 1051 A N 0.344 122.887 122.820 -0.462 0.000 1.972 1051 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 1051 A C 2.365 179.625 177.584 -0.541 0.000 1.169 1051 A CA 1.720 53.457 52.037 -0.500 0.000 0.635 1051 A CB -0.608 18.021 19.000 -0.619 0.000 0.810 1051 A HN 0.298 nan 8.150 nan 0.000 0.446 1052 S N -0.569 114.840 115.700 -0.485 0.000 2.400 1052 S HA -0.129 4.341 4.470 -0.000 0.000 0.232 1052 S C 1.837 176.140 174.600 -0.494 0.000 1.025 1052 S CA 1.472 59.386 58.200 -0.476 0.000 0.993 1052 S CB -0.353 62.666 63.200 -0.301 0.000 0.808 1052 S HN 0.407 nan 8.310 nan 0.000 0.478 1053 V N 1.900 121.519 119.914 -0.491 0.000 2.379 1053 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 1053 V C 2.359 177.802 176.094 -1.086 0.000 1.044 1053 V CA 1.131 63.044 62.300 -0.645 0.000 1.036 1053 V CB -0.612 30.887 31.823 -0.539 0.000 0.664 1053 V HN 0.439 nan 8.190 nan 0.000 0.453 1054 M N 0.802 119.858 119.600 -0.906 0.000 2.151 1054 M HA -0.325 4.155 4.480 -0.000 0.000 0.256 1054 M C 2.654 178.493 176.300 -0.769 0.000 1.072 1054 M CA 3.045 57.832 55.300 -0.854 0.000 1.090 1054 M CB -1.494 30.825 32.600 -0.469 0.000 1.294 1054 M HN 0.510 nan 8.290 nan 0.000 0.415 1055 K N 0.488 120.448 120.400 -0.733 0.000 2.148 1055 K HA -0.285 4.035 4.320 -0.000 0.000 0.213 1055 K C 1.710 178.213 176.600 -0.162 0.000 1.050 1055 K CA 2.562 58.445 56.287 -0.673 0.000 0.932 1055 K CB -1.711 30.128 32.500 -1.102 0.000 0.717 1055 K HN 0.632 nan 8.250 nan 0.000 0.462 1056 E N -1.001 118.981 120.200 -0.362 0.000 2.118 1056 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 1056 E C -0.023 176.625 176.600 0.080 0.000 0.992 1056 E CA 0.738 57.036 56.400 -0.169 0.000 0.804 1056 E CB -0.233 29.285 29.700 -0.303 0.000 0.741 1056 E HN 0.565 nan 8.360 nan 0.000 0.458 1057 F N 0.857 120.776 119.950 -0.052 0.000 2.427 1057 F HA 0.306 4.832 4.527 -0.000 0.000 0.352 1057 F C 0.174 176.023 175.800 0.082 0.000 1.100 1057 F CA -0.910 57.147 58.000 0.094 0.000 1.191 1057 F CB 0.365 39.329 39.000 -0.060 0.000 1.128 1057 F HN -0.051 nan 8.300 nan 0.000 0.533 1058 N N 2.414 121.281 118.700 0.278 0.000 2.690 1058 N HA 0.437 5.177 4.740 -0.000 0.000 0.255 1058 N C -1.866 173.485 175.510 -0.265 0.000 1.195 1058 N CA -0.134 52.946 53.050 0.050 0.000 0.790 1058 N CB 0.608 39.162 38.487 0.112 0.000 1.216 1058 N HN 0.703 nan 8.380 nan 0.000 0.528 1059 C N 2.467 121.539 119.300 -0.381 0.000 2.783 1059 C HA 0.364 4.824 4.460 -0.000 0.000 0.312 1059 C C 1.391 176.235 174.990 -0.244 0.000 1.182 1059 C CA -0.477 58.222 59.018 -0.532 0.000 1.432 1059 C CB 0.853 27.946 27.740 -1.079 0.000 1.933 1059 C HN 0.946 nan 8.230 nan 0.000 0.473 1060 H N 1.342 120.202 119.070 -0.350 0.000 2.518 1060 H HA 0.027 4.583 4.556 -0.000 0.000 0.289 1060 H C 1.066 176.176 175.328 -0.364 0.000 1.051 1060 H CA 2.240 58.062 56.048 -0.375 0.000 1.280 1060 H CB -0.070 29.398 29.762 -0.489 0.000 1.380 1060 H HN 0.867 nan 8.280 nan 0.000 0.566 1061 H N -1.538 117.463 119.070 -0.114 0.000 2.528 1061 H HA 0.348 4.904 4.556 -0.000 0.000 0.282 1061 H C -0.531 174.769 175.328 -0.048 0.000 1.097 1061 H CA -0.259 55.728 56.048 -0.102 0.000 1.121 1061 H CB 0.922 30.687 29.762 0.006 0.000 1.590 1061 H HN 0.014 nan 8.280 nan 0.000 0.553 1062 V N 1.858 121.786 119.914 0.024 0.000 2.459 1062 V HA 0.130 4.250 4.120 -0.000 0.000 0.295 1062 V C 0.142 176.302 176.094 0.110 0.000 1.029 1062 V CA -1.071 61.304 62.300 0.125 0.000 0.874 1062 V CB 2.289 34.193 31.823 0.135 0.000 0.985 1062 V HN 0.030 nan 8.190 nan 0.000 0.438 1063 V N 5.769 125.778 119.914 0.158 0.000 2.540 1063 V HA 0.158 4.278 4.120 -0.000 0.000 0.297 1063 V C 0.632 176.808 176.094 0.136 0.000 1.024 1063 V CA -0.042 62.325 62.300 0.112 0.000 1.105 1063 V CB 0.163 32.047 31.823 0.103 0.000 0.938 1063 V HN 0.988 nan 8.190 nan 0.000 0.482 1064 R N 5.199 125.751 120.500 0.087 0.000 2.486 1064 R HA 0.673 5.013 4.340 -0.000 0.000 0.286 1064 R C -0.697 175.647 176.300 0.074 0.000 0.999 1064 R CA -0.833 55.320 56.100 0.087 0.000 0.993 1064 R CB 1.276 31.624 30.300 0.080 0.000 1.084 1064 R HN 0.666 nan 8.270 nan 0.000 0.487 1065 L N 4.679 125.932 121.223 0.051 0.000 2.319 1065 L HA 0.188 4.528 4.340 -0.000 0.000 0.280 1065 L C 0.192 177.144 176.870 0.137 0.000 1.099 1065 L CA -0.287 54.570 54.840 0.029 0.000 0.828 1065 L CB 0.728 42.708 42.059 -0.132 0.000 1.150 1065 L HN 0.864 nan 8.230 nan 0.000 0.442 1066 L N 5.142 126.438 121.223 0.121 0.000 2.529 1066 L HA 0.408 4.748 4.340 -0.000 0.000 0.223 1066 L C 0.825 177.807 176.870 0.186 0.000 1.113 1066 L CA 0.483 55.408 54.840 0.142 0.000 0.861 1066 L CB -0.253 41.859 42.059 0.088 0.000 1.012 1066 L HN 0.918 nan 8.230 nan 0.000 0.461 1067 G N -0.166 108.758 108.800 0.207 0.000 2.334 1067 G HA2 0.148 4.107 3.960 -0.000 0.000 0.566 1067 G HA3 0.148 4.107 3.960 -0.000 0.000 0.566 1067 G C -1.630 173.341 174.900 0.119 0.000 1.413 1067 G CA -0.285 44.956 45.100 0.235 0.000 0.993 1067 G HN -0.058 nan 8.290 nan 0.000 0.642 1068 V N -0.948 119.033 119.914 0.112 0.000 2.735 1068 V HA 0.849 4.969 4.120 -0.000 0.000 0.310 1068 V C -0.180 175.950 176.094 0.061 0.000 1.061 1068 V CA -0.917 61.418 62.300 0.059 0.000 0.913 1068 V CB 1.898 33.723 31.823 0.004 0.000 1.005 1068 V HN 1.329 nan 8.190 nan 0.000 0.428 1069 V N 6.166 126.109 119.914 0.049 0.000 2.372 1069 V HA 0.328 4.448 4.120 -0.000 0.000 0.261 1069 V C 1.311 177.420 176.094 0.026 0.000 1.055 1069 V CA 0.827 63.148 62.300 0.035 0.000 0.930 1069 V CB 0.550 32.390 31.823 0.028 0.000 1.031 1069 V HN 1.195 nan 8.190 nan 0.000 0.479 1070 S N 3.301 119.011 115.700 0.017 0.000 2.514 1070 S HA 0.104 4.574 4.470 -0.000 0.000 0.223 1070 S C 0.649 175.239 174.600 -0.018 0.000 1.046 1070 S CA -0.362 57.837 58.200 -0.001 0.000 0.914 1070 S CB 0.255 63.450 63.200 -0.008 0.000 0.807 1070 S HN 0.674 nan 8.310 nan 0.000 0.497 1071 Q N 2.122 121.917 119.800 -0.008 0.000 2.490 1071 Q HA 0.663 5.003 4.340 -0.000 0.000 0.226 1071 Q C 0.167 176.166 176.000 -0.002 0.000 1.132 1071 Q CA -0.012 55.786 55.803 -0.008 0.000 0.928 1071 Q CB 0.476 29.215 28.738 0.001 0.000 1.299 1071 Q HN 0.580 nan 8.270 nan 0.000 0.528 1072 G N 0.649 109.446 108.800 -0.004 0.000 2.322 1072 G HA2 0.054 4.014 3.960 -0.000 0.000 0.295 1072 G HA3 0.054 4.014 3.960 -0.000 0.000 0.295 1072 G C -0.349 174.551 174.900 -0.001 0.000 1.369 1072 G CA -0.506 44.593 45.100 -0.001 0.000 0.821 1072 G HN 0.310 nan 8.290 nan 0.000 0.536 1073 Q N -0.879 118.920 119.800 -0.001 0.000 2.204 1073 Q HA 0.113 4.453 4.340 -0.000 0.000 0.198 1073 Q C -1.588 174.410 176.000 -0.003 0.000 0.946 1073 Q CA 0.688 56.490 55.803 -0.001 0.000 0.859 1073 Q CB 0.058 28.796 28.738 0.000 0.000 0.946 1073 Q HN 0.357 nan 8.270 nan 0.000 0.474 1074 P HA 0.185 nan 4.420 nan 0.000 0.300 1074 P C -1.243 176.061 177.300 0.007 0.000 1.375 1074 P CA -0.115 62.982 63.100 -0.004 0.000 0.864 1074 P CB 1.442 33.136 31.700 -0.010 0.000 0.958 1075 T N 4.270 118.832 114.554 0.015 0.000 2.908 1075 T HA 0.129 4.479 4.350 -0.000 0.000 0.301 1075 T C 0.496 175.239 174.700 0.070 0.000 1.019 1075 T CA 0.331 62.458 62.100 0.045 0.000 1.152 1075 T CB -0.052 68.861 68.868 0.075 0.000 0.966 1075 T HN 0.194 nan 8.240 nan 0.000 0.540 1076 L N 3.360 124.626 121.223 0.072 0.000 2.317 1076 L HA 0.623 4.963 4.340 -0.000 0.000 0.281 1076 L C -0.297 176.640 176.870 0.111 0.000 1.024 1076 L CA -1.111 53.781 54.840 0.087 0.000 0.810 1076 L CB 1.569 43.660 42.059 0.053 0.000 1.240 1076 L HN 0.336 nan 8.230 nan 0.000 0.427 1077 V N 3.877 123.878 119.914 0.145 0.000 2.495 1077 V HA 0.408 4.528 4.120 -0.000 0.000 0.298 1077 V C -0.309 175.841 176.094 0.093 0.000 1.031 1077 V CA -0.467 61.899 62.300 0.109 0.000 0.871 1077 V CB 2.103 34.008 31.823 0.136 0.000 0.988 1077 V HN 0.421 nan 8.190 nan 0.000 0.432 1078 I N 6.073 126.684 120.570 0.068 0.000 2.330 1078 I HA 0.458 4.628 4.170 -0.000 0.000 0.286 1078 I C 0.053 176.207 176.117 0.062 0.000 1.025 1078 I CA 0.012 61.353 61.300 0.069 0.000 1.197 1078 I CB 1.178 39.218 38.000 0.066 0.000 1.358 1078 I HN 0.397 nan 8.210 nan 0.000 0.467 1079 M N 4.040 123.678 119.600 0.063 0.000 2.537 1079 M HA 0.351 4.831 4.480 -0.000 0.000 0.324 1079 M C 0.300 176.631 176.300 0.053 0.000 1.187 1079 M CA -0.717 54.617 55.300 0.057 0.000 0.993 1079 M CB 1.352 33.987 32.600 0.058 0.000 1.666 1079 M HN 0.506 nan 8.290 nan 0.000 0.461 1080 E N 2.002 122.232 120.200 0.051 0.000 2.529 1080 E HA -0.007 4.343 4.350 -0.000 0.000 0.259 1080 E C -1.008 175.610 176.600 0.030 0.000 0.966 1080 E CA 0.008 56.432 56.400 0.040 0.000 0.937 1080 E CB 0.592 30.314 29.700 0.038 0.000 0.923 1080 E HN 0.543 nan 8.360 nan 0.000 0.468 1081 L N 5.549 126.785 121.223 0.023 0.000 2.410 1081 L HA 0.082 4.422 4.340 -0.000 0.000 0.273 1081 L C -0.254 176.612 176.870 -0.007 0.000 1.144 1081 L CA -0.115 54.732 54.840 0.012 0.000 0.863 1081 L CB 0.474 42.539 42.059 0.011 0.000 1.140 1081 L HN 0.643 nan 8.230 nan 0.000 0.463 1082 M N 4.608 124.198 119.600 -0.015 0.000 2.131 1082 M HA 0.148 4.628 4.480 -0.000 0.000 0.345 1082 M C 1.176 177.442 176.300 -0.056 0.000 1.060 1082 M CA -0.398 54.877 55.300 -0.041 0.000 1.011 1082 M CB 0.623 33.201 32.600 -0.037 0.000 1.328 1082 M HN 0.599 nan 8.290 nan 0.000 0.396 1083 T N -0.701 113.808 114.554 -0.075 0.000 2.897 1083 T HA -0.084 4.266 4.350 -0.000 0.000 0.271 1083 T C 1.351 176.002 174.700 -0.080 0.000 1.084 1083 T CA 1.089 63.146 62.100 -0.072 0.000 1.123 1083 T CB -0.030 68.787 68.868 -0.084 0.000 0.865 1083 T HN 0.605 nan 8.240 nan 0.000 0.496 1084 R N 1.114 121.543 120.500 -0.117 0.000 2.393 1084 R HA 0.448 4.788 4.340 -0.000 0.000 0.244 1084 R C 1.545 177.827 176.300 -0.029 0.000 0.920 1084 R CA 0.190 56.233 56.100 -0.095 0.000 1.076 1084 R CB 0.176 30.346 30.300 -0.217 0.000 1.119 1084 R HN 0.542 nan 8.270 nan 0.000 0.524 1085 G N 2.564 111.345 108.800 -0.033 0.000 2.598 1085 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.244 1085 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.244 1085 G C -0.770 174.132 174.900 0.004 0.000 1.302 1085 G CA -0.020 45.077 45.100 -0.005 0.000 0.903 1085 G HN 0.530 nan 8.290 nan 0.000 0.575 1086 D N -0.315 120.100 120.400 0.024 0.000 2.302 1086 D HA 0.448 5.088 4.640 -0.000 0.000 0.248 1086 D C 1.516 177.864 176.300 0.079 0.000 1.094 1086 D CA -0.306 53.711 54.000 0.028 0.000 0.897 1086 D CB 1.232 42.040 40.800 0.013 0.000 1.200 1086 D HN 0.695 nan 8.370 nan 0.000 0.429 1087 L N 2.105 123.372 121.223 0.073 0.000 2.129 1087 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 1087 L C 1.994 178.968 176.870 0.174 0.000 1.087 1087 L CA 1.795 56.720 54.840 0.140 0.000 0.757 1087 L CB -0.705 41.413 42.059 0.097 0.000 0.896 1087 L HN 0.642 nan 8.230 nan 0.000 0.434 1088 K N -1.021 119.447 120.400 0.114 0.000 2.002 1088 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 1088 K C 2.048 178.706 176.600 0.096 0.000 1.048 1088 K CA 1.714 58.065 56.287 0.106 0.000 0.930 1088 K CB -0.117 32.432 32.500 0.081 0.000 0.714 1088 K HN 0.404 nan 8.250 nan 0.000 0.438 1089 S N 0.285 116.039 115.700 0.091 0.000 2.368 1089 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 1089 S C 1.678 176.335 174.600 0.095 0.000 1.030 1089 S CA 1.349 59.594 58.200 0.075 0.000 0.999 1089 S CB -0.511 62.730 63.200 0.068 0.000 0.844 1089 S HN 0.428 nan 8.310 nan 0.000 0.459 1090 Y N 2.534 122.852 120.300 0.030 0.000 2.145 1090 Y HA -0.104 4.446 4.550 -0.000 0.000 0.286 1090 Y C 1.862 177.789 175.900 0.045 0.000 1.145 1090 Y CA 1.248 59.375 58.100 0.045 0.000 1.148 1090 Y CB -0.604 37.890 38.460 0.058 0.000 0.981 1090 Y HN 0.122 nan 8.280 nan 0.000 0.507 1091 L N 0.036 121.231 121.223 -0.048 0.000 2.043 1091 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 1091 L C 2.601 179.374 176.870 -0.162 0.000 1.075 1091 L CA 1.423 56.173 54.840 -0.150 0.000 0.752 1091 L CB -0.589 41.476 42.059 0.010 0.000 0.891 1091 L HN 0.182 nan 8.230 nan 0.000 0.432 1092 R N -0.005 120.448 120.500 -0.078 0.000 2.148 1092 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 1092 R C 2.434 178.681 176.300 -0.089 0.000 1.103 1092 R CA 1.483 57.547 56.100 -0.059 0.000 0.983 1092 R CB -0.822 29.470 30.300 -0.013 0.000 0.874 1092 R HN 0.518 nan 8.270 nan 0.000 0.451 1093 S N 0.352 115.975 115.700 -0.127 0.000 2.515 1093 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 1093 S C 1.869 176.383 174.600 -0.143 0.000 0.987 1093 S CA 0.397 58.531 58.200 -0.111 0.000 0.936 1093 S CB -0.216 62.938 63.200 -0.077 0.000 0.766 1093 S HN 0.238 nan 8.310 nan 0.000 0.528 1094 L N 0.516 121.616 121.223 -0.206 0.000 2.558 1094 L HA 0.229 4.569 4.340 -0.000 0.000 0.225 1094 L C 1.023 177.823 176.870 -0.116 0.000 1.128 1094 L CA -0.061 54.669 54.840 -0.183 0.000 0.868 1094 L CB -0.173 41.740 42.059 -0.243 0.000 1.006 1094 L HN 0.212 nan 8.230 nan 0.000 0.454 1095 R N 0.239 120.681 120.500 -0.097 0.000 2.560 1095 R HA 0.192 4.532 4.340 -0.000 0.000 0.270 1095 R C -1.394 174.874 176.300 -0.054 0.000 1.074 1095 R CA -1.602 54.455 56.100 -0.072 0.000 1.140 1095 R CB -0.289 29.974 30.300 -0.061 0.000 1.073 1095 R HN -0.212 nan 8.270 nan 0.000 0.527 1096 P HA -0.147 nan 4.420 nan 0.000 0.219 1096 P C -0.924 176.360 177.300 -0.028 0.000 1.146 1096 P CA 1.073 64.151 63.100 -0.036 0.000 0.808 1096 P CB 0.236 31.915 31.700 -0.035 0.000 0.779 1097 E N -2.661 117.523 120.200 -0.026 0.000 3.253 1097 E HA -0.059 4.291 4.350 -0.000 0.000 0.255 1097 E C -0.197 176.394 176.600 -0.016 0.000 1.164 1097 E CA -0.241 56.148 56.400 -0.019 0.000 0.936 1097 E CB -2.023 27.667 29.700 -0.016 0.000 1.135 1097 E HN 0.098 nan 8.360 nan 0.000 0.437 1105 A N 1.559 124.333 122.820 -0.076 0.000 2.448 1105 A HA 0.705 5.025 4.320 -0.000 0.000 0.239 1105 A C -2.423 175.106 177.584 -0.091 0.000 1.080 1105 A CA -0.385 51.604 52.037 -0.080 0.000 0.779 1105 A CB -0.326 18.634 19.000 -0.067 0.000 1.026 1105 A HN 0.334 nan 8.150 nan 0.000 0.499 1106 P HA 0.571 nan 4.420 nan 0.000 0.292 1106 P C -2.677 174.577 177.300 -0.077 0.000 1.304 1106 P CA -1.748 61.294 63.100 -0.097 0.000 0.848 1106 P CB -0.404 31.231 31.700 -0.109 0.000 1.260 1107 P HA 0.058 nan 4.420 nan 0.000 0.272 1107 P C -0.133 177.138 177.300 -0.049 0.000 1.248 1107 P CA -0.062 63.009 63.100 -0.050 0.000 0.799 1107 P CB -0.106 31.582 31.700 -0.021 0.000 0.997 1108 S N 0.301 115.973 115.700 -0.046 0.000 2.572 1108 S HA 0.044 4.514 4.470 -0.000 0.000 0.279 1108 S C 1.339 175.915 174.600 -0.040 0.000 1.341 1108 S CA -0.693 57.481 58.200 -0.043 0.000 1.043 1108 S CB -0.006 63.169 63.200 -0.042 0.000 0.887 1108 S HN 0.468 nan 8.310 nan 0.000 0.516 1109 L N 1.756 122.956 121.223 -0.039 0.000 2.137 1109 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 1109 L C 2.555 179.403 176.870 -0.036 0.000 1.085 1109 L CA 2.089 56.907 54.840 -0.037 0.000 0.760 1109 L CB -0.833 41.206 42.059 -0.033 0.000 0.893 1109 L HN 0.988 nan 8.230 nan 0.000 0.434 1110 S N -0.804 114.875 115.700 -0.035 0.000 2.371 1110 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 1110 S C 1.903 176.482 174.600 -0.035 0.000 1.029 1110 S CA 0.762 58.941 58.200 -0.036 0.000 0.978 1110 S CB 0.074 63.255 63.200 -0.032 0.000 0.833 1110 S HN 0.358 nan 8.310 nan 0.000 0.466 1111 K N 0.793 121.173 120.400 -0.033 0.000 2.097 1111 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 1111 K C 2.099 178.691 176.600 -0.013 0.000 1.049 1111 K CA 1.118 57.391 56.287 -0.024 0.000 0.933 1111 K CB -0.492 31.994 32.500 -0.023 0.000 0.717 1111 K HN 0.446 nan 8.250 nan 0.000 0.442 1112 M N 0.289 119.876 119.600 -0.021 0.000 2.099 1112 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 1112 M C 1.952 178.234 176.300 -0.030 0.000 1.067 1112 M CA 1.094 56.381 55.300 -0.022 0.000 1.124 1112 M CB -0.125 32.454 32.600 -0.035 0.000 1.353 1112 M HN -0.027 nan 8.290 nan 0.000 0.410 1113 I N 0.237 120.783 120.570 -0.040 0.000 2.208 1113 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 1113 I C 2.394 178.466 176.117 -0.074 0.000 1.097 1113 I CA 1.636 62.905 61.300 -0.052 0.000 1.363 1113 I CB -1.416 36.546 38.000 -0.063 0.000 1.051 1113 I HN 0.375 nan 8.210 nan 0.000 0.413 1114 Q N 0.816 120.575 119.800 -0.069 0.000 2.030 1114 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 1114 Q C 2.329 178.292 176.000 -0.062 0.000 0.986 1114 Q CA 1.880 57.633 55.803 -0.083 0.000 0.843 1114 Q CB -0.238 28.478 28.738 -0.036 0.000 0.904 1114 Q HN 0.418 nan 8.270 nan 0.000 0.420 1115 M N -0.535 119.053 119.600 -0.019 0.000 2.073 1115 M HA -0.242 4.238 4.480 -0.000 0.000 0.258 1115 M C 2.222 178.533 176.300 0.017 0.000 1.070 1115 M CA 1.837 57.138 55.300 0.002 0.000 1.103 1115 M CB -0.679 31.936 32.600 0.025 0.000 1.321 1115 M HN 0.368 nan 8.290 nan 0.000 0.405 1116 A N 0.422 123.256 122.820 0.024 0.000 1.948 1116 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 1116 A C 2.335 180.033 177.584 0.189 0.000 1.177 1116 A CA 2.104 54.214 52.037 0.123 0.000 0.636 1116 A CB -1.480 17.570 19.000 0.083 0.000 0.815 1116 A HN 0.617 nan 8.150 nan 0.000 0.449 1117 G N -0.911 107.888 108.800 -0.001 0.000 2.430 1117 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.216 1117 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.216 1117 G C 1.410 176.259 174.900 -0.085 0.000 1.146 1117 G CA 0.804 45.833 45.100 -0.117 0.000 0.793 1117 G HN 0.652 nan 8.290 nan 0.000 0.537 1118 E N -0.095 120.029 120.200 -0.126 0.000 2.158 1118 E HA 0.081 4.431 4.350 -0.000 0.000 0.191 1118 E C 2.365 178.867 176.600 -0.164 0.000 0.982 1118 E CA 0.124 56.327 56.400 -0.330 0.000 0.823 1118 E CB 0.021 29.517 29.700 -0.340 0.000 0.766 1118 E HN 0.426 nan 8.360 nan 0.000 0.468 1119 I N 1.294 121.872 120.570 0.012 0.000 2.202 1119 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 1119 I C 2.528 178.664 176.117 0.032 0.000 1.091 1119 I CA 0.874 62.230 61.300 0.093 0.000 1.368 1119 I CB -0.217 37.927 38.000 0.241 0.000 1.058 1119 I HN 0.067 nan 8.210 nan 0.000 0.410 1120 A N 0.160 123.016 122.820 0.060 0.000 1.972 1120 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 1120 A C 1.925 179.472 177.584 -0.062 0.000 1.169 1120 A CA 2.302 54.238 52.037 -0.168 0.000 0.635 1120 A CB -0.662 18.274 19.000 -0.107 0.000 0.810 1120 A HN 0.447 nan 8.150 nan 0.000 0.446 1121 D N -0.781 119.683 120.400 0.107 0.000 2.084 1121 D HA -0.016 4.624 4.640 -0.000 0.000 0.196 1121 D C 2.090 178.519 176.300 0.216 0.000 0.985 1121 D CA 1.708 55.886 54.000 0.298 0.000 0.826 1121 D CB -0.501 40.607 40.800 0.514 0.000 0.978 1121 D HN 0.266 nan 8.370 nan 0.000 0.456 1122 G N 0.512 109.396 108.800 0.140 0.000 2.491 1122 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 1122 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 1122 G C 1.564 176.420 174.900 -0.075 0.000 1.180 1122 G CA 1.241 46.377 45.100 0.060 0.000 0.774 1122 G HN 0.187 nan 8.290 nan 0.000 0.562 1123 M N 1.153 120.581 119.600 -0.287 0.000 2.108 1123 M HA -0.035 4.445 4.480 -0.000 0.000 0.261 1123 M C 3.041 179.085 176.300 -0.428 0.000 1.066 1123 M CA 1.419 56.356 55.300 -0.604 0.000 1.107 1123 M CB -1.371 30.252 32.600 -1.629 0.000 1.356 1123 M HN 0.339 nan 8.290 nan 0.000 0.406 1124 A N -0.947 121.738 122.820 -0.226 0.000 1.972 1124 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 1124 A C 2.130 179.673 177.584 -0.068 0.000 1.169 1124 A CA 1.423 53.531 52.037 0.117 0.000 0.635 1124 A CB -1.049 18.192 19.000 0.401 0.000 0.810 1124 A HN 0.513 nan 8.150 nan 0.000 0.446 1125 Y N 0.297 120.294 120.300 -0.504 0.000 2.089 1125 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 1125 Y C 2.096 177.684 175.900 -0.521 0.000 1.139 1125 Y CA 1.596 59.127 58.100 -0.949 0.000 1.123 1125 Y CB -0.436 37.585 38.460 -0.732 0.000 0.980 1125 Y HN 0.178 nan 8.280 nan 0.000 0.493 1126 L N 0.763 121.766 121.223 -0.367 0.000 2.011 1126 L HA -0.425 3.915 4.340 -0.000 0.000 0.225 1126 L C 2.026 178.807 176.870 -0.149 0.000 1.084 1126 L CA 2.689 57.326 54.840 -0.338 0.000 0.791 1126 L CB -1.166 40.803 42.059 -0.150 0.000 0.898 1126 L HN 0.503 nan 8.230 nan 0.000 0.440 1127 N N -1.059 117.603 118.700 -0.064 0.000 2.244 1127 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 1127 N C 1.729 177.224 175.510 -0.025 0.000 1.016 1127 N CA 0.916 53.984 53.050 0.031 0.000 0.866 1127 N CB 0.037 38.620 38.487 0.160 0.000 0.980 1127 N HN 0.380 nan 8.380 nan 0.000 0.430 1128 A N 1.201 123.961 122.820 -0.101 0.000 1.969 1128 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 1128 A C 1.618 179.120 177.584 -0.136 0.000 1.169 1128 A CA 0.954 52.943 52.037 -0.081 0.000 0.635 1128 A CB -0.123 18.841 19.000 -0.060 0.000 0.810 1128 A HN 0.274 nan 8.150 nan 0.000 0.445 1129 N N 0.035 118.600 118.700 -0.225 0.000 2.313 1129 N HA 0.012 4.752 4.740 -0.000 0.000 0.207 1129 N C -0.647 174.843 175.510 -0.034 0.000 1.141 1129 N CA 0.053 53.038 53.050 -0.109 0.000 0.830 1129 N CB 0.285 38.689 38.487 -0.139 0.000 1.008 1129 N HN 0.058 nan 8.380 nan 0.000 0.481 1130 K N 0.100 120.441 120.400 -0.099 0.000 3.162 1130 K HA -0.164 4.156 4.320 -0.000 0.000 0.268 1130 K C -1.030 175.322 176.600 -0.414 0.000 1.062 1130 K CA 0.792 56.950 56.287 -0.215 0.000 0.769 1130 K CB -2.296 30.046 32.500 -0.264 0.000 1.274 1130 K HN 0.201 nan 8.250 nan 0.000 0.478 1131 F N -1.198 118.726 119.950 -0.044 0.000 2.561 1131 F HA 0.567 5.094 4.527 -0.000 0.000 0.321 1131 F C 0.630 176.452 175.800 0.036 0.000 1.065 1131 F CA -1.145 56.856 58.000 0.001 0.000 0.934 1131 F CB 1.752 40.758 39.000 0.010 0.000 1.215 1131 F HN -0.213 nan 8.300 nan 0.000 0.471 1132 V N 2.343 122.410 119.914 0.255 0.000 2.409 1132 V HA 0.172 4.292 4.120 -0.000 0.000 0.291 1132 V C 0.795 177.039 176.094 0.249 0.000 1.020 1132 V CA -0.606 61.832 62.300 0.230 0.000 0.848 1132 V CB 1.175 33.107 31.823 0.182 0.000 0.990 1132 V HN 0.868 nan 8.190 nan 0.000 0.430 1133 H N 4.707 123.896 119.070 0.199 0.000 2.357 1133 H HA -0.039 4.517 4.556 -0.000 0.000 0.301 1133 H C 1.710 177.093 175.328 0.093 0.000 1.082 1133 H CA 2.192 58.348 56.048 0.180 0.000 1.342 1133 H CB 0.392 30.251 29.762 0.161 0.000 1.389 1133 H HN 0.760 nan 8.280 nan 0.000 0.511 1134 R N -1.214 119.444 120.500 0.263 0.000 3.928 1134 R HA -0.203 4.137 4.340 -0.000 0.000 0.417 1134 R C 0.036 176.441 176.300 0.174 0.000 0.647 1134 R CA 1.684 57.822 56.100 0.063 0.000 1.610 1134 R CB -1.395 28.694 30.300 -0.352 0.000 2.164 1134 R HN 0.320 nan 8.270 nan 0.000 0.406 1135 D N 0.364 120.966 120.400 0.336 0.000 2.804 1135 D HA 0.179 4.819 4.640 -0.000 0.000 0.308 1135 D C -1.039 175.367 176.300 0.176 0.000 1.371 1135 D CA -0.391 53.746 54.000 0.228 0.000 0.823 1135 D CB 0.357 41.223 40.800 0.111 0.000 1.126 1135 D HN 0.034 nan 8.370 nan 0.000 0.467 1136 L N 1.519 122.807 121.223 0.107 0.000 2.360 1136 L HA 0.645 4.985 4.340 -0.000 0.000 0.276 1136 L C -0.554 176.326 176.870 0.017 0.000 1.121 1136 L CA 0.150 54.912 54.840 -0.130 0.000 0.845 1136 L CB 0.545 42.577 42.059 -0.045 0.000 1.143 1136 L HN 0.162 nan 8.230 nan 0.000 0.452 1137 A N 3.871 126.641 122.820 -0.083 0.000 2.599 1137 A HA 0.656 4.976 4.320 -0.000 0.000 0.294 1137 A C 0.536 178.110 177.584 -0.017 0.000 1.055 1137 A CA -0.170 51.814 52.037 -0.088 0.000 0.683 1137 A CB 0.318 18.906 19.000 -0.686 0.000 1.278 1137 A HN 1.115 nan 8.150 nan 0.000 0.412 1138 A N 1.089 123.983 122.820 0.122 0.000 1.958 1138 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 1138 A C 1.975 179.577 177.584 0.029 0.000 1.178 1138 A CA 2.357 54.457 52.037 0.104 0.000 0.642 1138 A CB -0.640 18.468 19.000 0.180 0.000 0.816 1138 A HN 1.250 nan 8.150 nan 0.000 0.453 1139 R N -1.099 119.382 120.500 -0.031 0.000 2.237 1139 R HA -0.033 4.307 4.340 -0.000 0.000 0.219 1139 R C 0.608 176.868 176.300 -0.067 0.000 1.080 1139 R CA 1.557 57.626 56.100 -0.052 0.000 0.995 1139 R CB -0.388 29.850 30.300 -0.103 0.000 0.875 1139 R HN 0.396 nan 8.270 nan 0.000 0.462 1140 N N 0.020 118.667 118.700 -0.088 0.000 2.236 1140 N HA 0.088 4.828 4.740 -0.000 0.000 0.196 1140 N C -0.504 174.952 175.510 -0.090 0.000 1.114 1140 N CA 0.041 53.034 53.050 -0.095 0.000 0.859 1140 N CB 0.484 38.908 38.487 -0.106 0.000 0.982 1140 N HN 0.157 nan 8.380 nan 0.000 0.493 1141 C N 1.702 120.968 119.300 -0.056 0.000 2.370 1141 C HA 0.535 4.995 4.460 -0.000 0.000 0.354 1141 C C 0.504 175.480 174.990 -0.023 0.000 1.218 1141 C CA -0.904 58.091 59.018 -0.039 0.000 2.154 1141 C CB 0.649 28.381 27.740 -0.014 0.000 2.391 1141 C HN 0.183 nan 8.230 nan 0.000 0.540 1142 M N 2.033 121.618 119.600 -0.025 0.000 2.598 1142 M HA 0.567 5.047 4.480 -0.000 0.000 0.317 1142 M C -0.577 175.690 176.300 -0.056 0.000 1.201 1142 M CA -0.556 54.725 55.300 -0.031 0.000 0.971 1142 M CB 1.257 33.842 32.600 -0.026 0.000 1.657 1142 M HN 0.354 nan 8.290 nan 0.000 0.470 1143 V N 1.195 121.051 119.914 -0.097 0.000 2.487 1143 V HA 0.700 4.820 4.120 -0.000 0.000 0.298 1143 V C 0.256 176.237 176.094 -0.188 0.000 1.028 1143 V CA -1.036 61.157 62.300 -0.177 0.000 0.860 1143 V CB 1.216 32.832 31.823 -0.344 0.000 0.991 1143 V HN 1.022 nan 8.190 nan 0.000 0.427 1144 A N 2.731 125.451 122.820 -0.168 0.000 2.246 1144 A HA 0.532 4.852 4.320 -0.000 0.000 0.291 1144 A C 1.253 178.680 177.584 -0.263 0.000 1.103 1144 A CA 0.051 51.996 52.037 -0.154 0.000 0.844 1144 A CB 0.364 19.314 19.000 -0.083 0.000 1.136 1144 A HN 0.969 nan 8.150 nan 0.000 0.500 1145 E N 0.063 120.138 120.200 -0.209 0.000 2.130 1145 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 1145 E C 0.742 177.129 176.600 -0.355 0.000 0.998 1145 E CA 1.963 58.200 56.400 -0.272 0.000 0.806 1145 E CB -0.068 29.553 29.700 -0.132 0.000 0.738 1145 E HN 0.717 nan 8.360 nan 0.000 0.459 1146 D N -1.140 119.169 120.400 -0.152 0.000 2.413 1146 D HA -0.069 4.571 4.640 -0.000 0.000 0.237 1146 D C -0.170 176.227 176.300 0.162 0.000 1.171 1146 D CA -0.270 53.749 54.000 0.033 0.000 0.839 1146 D CB -0.740 40.120 40.800 0.100 0.000 0.950 1146 D HN 0.332 nan 8.370 nan 0.000 0.499 1147 F N -1.258 118.658 119.950 -0.058 0.000 2.871 1147 F HA -0.265 4.262 4.527 -0.000 0.000 0.326 1147 F C 0.546 176.286 175.800 -0.099 0.000 0.675 1147 F CA 0.887 58.812 58.000 -0.126 0.000 1.188 1147 F CB -2.583 36.365 39.000 -0.088 0.000 1.567 1147 F HN -0.067 nan 8.300 nan 0.000 0.325 1148 T N 1.636 116.230 114.554 0.067 0.000 2.928 1148 T HA 0.415 4.765 4.350 -0.000 0.000 0.305 1148 T C 0.475 175.175 174.700 -0.001 0.000 1.035 1148 T CA -0.211 61.927 62.100 0.063 0.000 1.145 1148 T CB 1.487 70.403 68.868 0.081 0.000 0.963 1148 T HN 0.034 nan 8.240 nan 0.000 0.545 1149 V N 4.464 124.384 119.914 0.009 0.000 2.472 1149 V HA 0.465 4.585 4.120 -0.000 0.000 0.290 1149 V C 0.152 176.254 176.094 0.014 0.000 1.037 1149 V CA -0.607 61.686 62.300 -0.011 0.000 0.908 1149 V CB 1.501 33.320 31.823 -0.007 0.000 0.985 1149 V HN 0.766 nan 8.190 nan 0.000 0.454 1150 K N 3.753 124.159 120.400 0.010 0.000 2.426 1150 K HA 0.591 4.911 4.320 -0.000 0.000 0.251 1150 K C -1.351 175.265 176.600 0.026 0.000 0.941 1150 K CA -1.049 55.262 56.287 0.040 0.000 0.808 1150 K CB 2.461 34.975 32.500 0.024 0.000 1.265 1150 K HN 0.307 nan 8.250 nan 0.000 0.432 1151 I N 1.325 121.925 120.570 0.050 0.000 2.692 1151 I HA 0.064 4.234 4.170 -0.000 0.000 0.284 1151 I C 1.338 177.458 176.117 0.004 0.000 1.159 1151 I CA 0.579 61.885 61.300 0.010 0.000 1.423 1151 I CB 0.742 38.798 38.000 0.093 0.000 1.380 1151 I HN 1.003 nan 8.210 nan 0.000 0.580 1152 G N 3.158 111.852 108.800 -0.177 0.000 2.535 1152 G HA2 0.038 3.998 3.960 -0.000 0.000 0.191 1152 G HA3 0.038 3.998 3.960 -0.000 0.000 0.191 1152 G C -0.262 174.457 174.900 -0.301 0.000 1.242 1152 G CA 0.059 45.072 45.100 -0.144 0.000 0.797 1152 G HN 0.516 nan 8.290 nan 0.000 0.863 1153 D N 0.123 120.208 120.400 -0.524 0.000 2.469 1153 D HA 0.425 5.065 4.640 -0.000 0.000 0.251 1153 D C -1.057 174.912 176.300 -0.552 0.000 1.173 1153 D CA -0.865 52.913 54.000 -0.370 0.000 0.882 1153 D CB 0.774 41.484 40.800 -0.149 0.000 1.129 1153 D HN 0.031 nan 8.370 nan 0.000 0.549 1154 F N 1.653 121.566 119.950 -0.062 0.000 2.928 1154 F HA 0.350 4.877 4.527 -0.000 0.000 0.337 1154 F C 1.825 177.544 175.800 -0.134 0.000 1.259 1154 F CA -0.765 57.122 58.000 -0.190 0.000 1.267 1154 F CB 1.342 40.273 39.000 -0.116 0.000 0.986 1154 F HN 0.469 nan 8.300 nan 0.000 0.507 1155 G N -0.240 108.572 108.800 0.019 0.000 2.650 1155 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 1155 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 1155 G C 1.234 176.135 174.900 0.001 0.000 1.136 1155 G CA 0.418 45.541 45.100 0.040 0.000 0.789 1155 G HN 0.345 nan 8.290 nan 0.000 0.536 1156 M N 0.897 120.467 119.600 -0.049 0.000 2.306 1156 M HA 0.250 4.730 4.480 -0.000 0.000 0.292 1156 M C 1.077 177.328 176.300 -0.082 0.000 1.018 1156 M CA 0.032 55.287 55.300 -0.074 0.000 1.007 1156 M CB 0.910 33.456 32.600 -0.090 0.000 1.510 1156 M HN 0.056 nan 8.290 nan 0.000 0.537 1157 T N 0.421 114.945 114.554 -0.049 0.000 2.909 1157 T HA 0.568 4.918 4.350 -0.000 0.000 0.289 1157 T C 0.008 174.783 174.700 0.125 0.000 1.005 1157 T CA -0.588 61.529 62.100 0.028 0.000 1.084 1157 T CB 1.024 69.935 68.868 0.073 0.000 0.975 1157 T HN 0.116 nan 8.240 nan 0.000 0.509 1158 R N 2.262 122.870 120.500 0.179 0.000 2.803 1158 R HA 0.450 4.790 4.340 -0.000 0.000 0.276 1158 R C -0.802 175.612 176.300 0.190 0.000 0.978 1158 R CA -0.911 55.289 56.100 0.167 0.000 0.939 1158 R CB 1.451 31.786 30.300 0.058 0.000 1.179 1158 R HN 0.829 nan 8.270 nan 0.000 0.472 1159 D N 1.881 122.297 120.400 0.027 0.000 2.345 1159 D HA 0.353 4.993 4.640 -0.000 0.000 0.247 1159 D C 0.143 176.307 176.300 -0.227 0.000 1.108 1159 D CA -0.157 53.630 54.000 -0.355 0.000 0.894 1159 D CB 0.656 41.285 40.800 -0.285 0.000 1.203 1159 D HN 0.468 nan 8.370 nan 0.000 0.430 1163 T N 0.439 114.980 114.554 -0.021 0.000 10.514 1163 T HA -0.181 4.169 4.350 -0.000 0.000 0.352 1163 T C 0.114 174.808 174.700 -0.010 0.000 1.865 1163 T CA 0.884 62.977 62.100 -0.011 0.000 3.075 1163 T CB -1.147 67.715 68.868 -0.010 0.000 2.118 1163 T HN 0.796 nan 8.240 nan 0.000 0.636 1168 K N 2.412 122.924 120.400 0.187 0.000 2.378 1168 K HA 0.239 4.559 4.320 -0.000 0.000 0.288 1168 K C 0.807 177.461 176.600 0.090 0.000 1.057 1168 K CA 0.620 57.000 56.287 0.156 0.000 0.971 1168 K CB 0.969 33.611 32.500 0.237 0.000 0.975 1168 K HN 0.698 nan 8.250 nan 0.000 0.475 1169 G N 2.759 111.598 108.800 0.065 0.000 2.424 1169 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.214 1169 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.214 1169 G C 0.677 175.601 174.900 0.040 0.000 1.202 1169 G CA 0.664 45.791 45.100 0.045 0.000 0.793 1169 G HN 0.697 nan 8.290 nan 0.000 0.534 1170 G N -0.633 108.191 108.800 0.040 0.000 2.849 1170 G HA2 0.441 4.401 3.960 -0.000 0.000 0.174 1170 G HA3 0.441 4.401 3.960 -0.000 0.000 0.174 1170 G C -0.416 174.507 174.900 0.038 0.000 1.370 1170 G CA -0.555 44.565 45.100 0.033 0.000 1.040 1170 G HN 0.108 nan 8.290 nan 0.000 0.582 1171 K N 0.691 121.110 120.400 0.032 0.000 2.412 1171 K HA 0.300 4.620 4.320 -0.000 0.000 0.281 1171 K C 0.213 176.837 176.600 0.040 0.000 1.027 1171 K CA 0.136 56.443 56.287 0.033 0.000 0.989 1171 K CB 0.661 33.176 32.500 0.024 0.000 0.935 1171 K HN 0.474 nan 8.250 nan 0.000 0.475 1172 G N 2.757 111.588 108.800 0.051 0.000 2.416 1172 G HA2 0.477 4.436 3.960 -0.000 0.000 0.329 1172 G HA3 0.477 4.436 3.960 -0.000 0.000 0.329 1172 G C 0.368 175.299 174.900 0.052 0.000 1.173 1172 G CA -0.594 44.543 45.100 0.060 0.000 0.929 1172 G HN 0.567 nan 8.290 nan 0.000 0.475 1173 L N 1.904 123.150 121.223 0.038 0.000 2.728 1173 L HA 0.290 4.630 4.340 -0.000 0.000 0.238 1173 L C 0.625 177.518 176.870 0.039 0.000 1.143 1173 L CA -0.167 54.692 54.840 0.031 0.000 0.937 1173 L CB -0.045 42.021 42.059 0.011 0.000 1.225 1173 L HN 0.260 nan 8.230 nan 0.000 0.507 1174 L N 1.888 123.147 121.223 0.060 0.000 2.490 1174 L HA 0.110 4.450 4.340 -0.000 0.000 0.274 1174 L C -1.804 175.139 176.870 0.122 0.000 1.201 1174 L CA -1.573 53.316 54.840 0.082 0.000 0.869 1174 L CB -0.044 42.093 42.059 0.130 0.000 1.123 1174 L HN -0.129 nan 8.230 nan 0.000 0.484 1175 P HA -0.035 nan 4.420 nan 0.000 0.267 1175 P C 0.788 178.278 177.300 0.317 0.000 1.205 1175 P CA -0.299 62.933 63.100 0.220 0.000 0.765 1175 P CB 0.772 32.600 31.700 0.214 0.000 0.828 1176 V N 2.440 122.498 119.914 0.241 0.000 2.759 1176 V HA -0.172 3.948 4.120 -0.000 0.000 0.256 1176 V C 1.613 177.816 176.094 0.182 0.000 1.080 1176 V CA 1.106 63.506 62.300 0.166 0.000 1.101 1176 V CB -1.009 30.855 31.823 0.067 0.000 0.698 1176 V HN 0.403 nan 8.190 nan 0.000 0.477 1177 R N -0.887 119.785 120.500 0.287 0.000 2.280 1177 R HA 0.013 4.353 4.340 -0.000 0.000 0.207 1177 R C 1.722 178.072 176.300 0.083 0.000 1.043 1177 R CA 1.285 57.467 56.100 0.138 0.000 1.006 1177 R CB -0.262 30.036 30.300 -0.004 0.000 0.885 1177 R HN 0.622 nan 8.270 nan 0.000 0.467 1178 W N 0.191 121.637 121.300 0.244 0.000 3.127 1178 W HA 0.302 4.962 4.660 -0.000 0.000 0.344 1178 W C 0.323 177.062 176.519 0.367 0.000 1.151 1178 W CA -0.702 56.832 57.345 0.316 0.000 1.765 1178 W CB 0.271 29.882 29.460 0.252 0.000 1.085 1178 W HN -0.023 nan 8.180 nan 0.000 0.596 1179 M N 1.412 121.236 119.600 0.373 0.000 2.233 1179 M HA 0.089 4.569 4.480 -0.000 0.000 0.355 1179 M C 1.026 177.134 176.300 -0.320 0.000 1.191 1179 M CA 0.173 55.556 55.300 0.138 0.000 1.101 1179 M CB 1.241 33.893 32.600 0.087 0.000 1.592 1179 M HN -0.229 nan 8.290 nan 0.000 0.461 1180 S N 4.145 119.498 115.700 -0.579 0.000 2.593 1180 S HA 0.292 4.762 4.470 -0.000 0.000 0.269 1180 S C -2.168 171.852 174.600 -0.966 0.000 1.334 1180 S CA -1.060 56.352 58.200 -1.314 0.000 1.015 1180 S CB 0.436 63.202 63.200 -0.723 0.000 0.912 1180 S HN 0.529 nan 8.310 nan 0.000 0.541 1181 P HA -0.186 nan 4.420 nan 0.000 0.215 1181 P C 1.719 178.693 177.300 -0.543 0.000 1.157 1181 P CA 1.573 64.219 63.100 -0.757 0.000 0.868 1181 P CB -0.122 30.994 31.700 -0.972 0.000 0.788 1182 E N -0.258 119.618 120.200 -0.540 0.000 2.153 1182 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 1182 E C 1.681 178.067 176.600 -0.356 0.000 0.988 1182 E CA 1.538 57.720 56.400 -0.363 0.000 0.811 1182 E CB -1.221 28.308 29.700 -0.283 0.000 0.746 1182 E HN 0.155 nan 8.360 nan 0.000 0.466 1183 S N 1.226 116.650 115.700 -0.460 0.000 2.387 1183 S HA 0.028 4.498 4.470 -0.000 0.000 0.226 1183 S C 2.141 176.517 174.600 -0.372 0.000 1.026 1183 S CA 0.811 58.661 58.200 -0.583 0.000 0.972 1183 S CB -0.226 62.508 63.200 -0.777 0.000 0.814 1183 S HN 0.223 nan 8.310 nan 0.000 0.477 1184 L N 1.106 122.149 121.223 -0.301 0.000 2.093 1184 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 1184 L C 2.526 179.302 176.870 -0.157 0.000 1.085 1184 L CA 1.215 55.939 54.840 -0.193 0.000 0.755 1184 L CB -0.369 41.569 42.059 -0.201 0.000 0.904 1184 L HN 0.265 nan 8.230 nan 0.000 0.435 1185 K N -0.323 119.967 120.400 -0.182 0.000 2.067 1185 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 1185 K C 1.075 177.613 176.600 -0.103 0.000 1.048 1185 K CA 1.355 57.566 56.287 -0.126 0.000 0.954 1185 K CB 0.308 32.736 32.500 -0.122 0.000 0.737 1185 K HN 0.220 nan 8.250 nan 0.000 0.444 1186 D N -1.793 118.529 120.400 -0.129 0.000 2.479 1186 D HA 0.123 4.763 4.640 -0.000 0.000 0.216 1186 D C 0.643 176.889 176.300 -0.091 0.000 1.110 1186 D CA 0.771 54.714 54.000 -0.095 0.000 0.841 1186 D CB 1.310 42.058 40.800 -0.087 0.000 1.040 1186 D HN 0.451 nan 8.370 nan 0.000 0.505 1187 G N 1.343 110.054 108.800 -0.149 0.000 2.136 1187 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 1187 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 1187 G C 0.322 175.130 174.900 -0.153 0.000 0.989 1187 G CA 0.260 45.297 45.100 -0.105 0.000 0.682 1187 G HN 0.259 nan 8.290 nan 0.000 0.522 1188 V N 0.402 120.148 119.914 -0.280 0.000 2.498 1188 V HA 0.693 4.813 4.120 -0.000 0.000 0.279 1188 V C 0.097 175.928 176.094 -0.438 0.000 1.048 1188 V CA -0.171 62.010 62.300 -0.198 0.000 0.967 1188 V CB 0.975 32.725 31.823 -0.122 0.000 0.988 1188 V HN 0.218 nan 8.190 nan 0.000 0.473 1189 F N 2.828 122.793 119.950 0.024 0.000 2.518 1189 F HA 0.665 5.192 4.527 -0.000 0.000 0.323 1189 F C 0.538 176.357 175.800 0.032 0.000 1.129 1189 F CA -0.398 57.628 58.000 0.043 0.000 0.920 1189 F CB 2.262 41.300 39.000 0.063 0.000 1.160 1189 F HN 0.631 nan 8.300 nan 0.000 0.440 1190 T N -3.262 111.394 114.554 0.171 0.000 2.742 1190 T HA 0.291 4.641 4.350 -0.000 0.000 0.282 1190 T C 0.924 175.640 174.700 0.027 0.000 1.025 1190 T CA -0.048 62.070 62.100 0.030 0.000 1.020 1190 T CB 1.271 70.088 68.868 -0.085 0.000 1.317 1190 T HN 0.513 nan 8.240 nan 0.000 0.538 1191 T N -1.857 112.601 114.554 -0.160 0.000 3.055 1191 T HA -0.037 4.313 4.350 -0.000 0.000 0.265 1191 T C 1.307 175.986 174.700 -0.035 0.000 1.111 1191 T CA 0.669 62.742 62.100 -0.046 0.000 1.118 1191 T CB -0.822 67.998 68.868 -0.079 0.000 0.909 1191 T HN 0.570 nan 8.240 nan 0.000 0.501 1192 Y N 2.857 123.206 120.300 0.082 0.000 2.293 1192 Y HA 0.001 4.551 4.550 -0.000 0.000 0.291 1192 Y C 3.135 179.115 175.900 0.133 0.000 1.137 1192 Y CA 0.433 58.568 58.100 0.059 0.000 1.202 1192 Y CB -1.002 37.481 38.460 0.038 0.000 0.990 1192 Y HN 0.472 nan 8.280 nan 0.000 0.537 1193 S N -0.677 115.186 115.700 0.271 0.000 2.406 1193 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 1193 S C 1.598 176.444 174.600 0.410 0.000 1.020 1193 S CA 1.150 59.518 58.200 0.281 0.000 0.965 1193 S CB -0.352 62.948 63.200 0.167 0.000 0.798 1193 S HN 0.281 nan 8.310 nan 0.000 0.488 1194 D N 1.808 122.440 120.400 0.387 0.000 2.097 1194 D HA -0.050 4.590 4.640 -0.000 0.000 0.195 1194 D C 2.130 178.754 176.300 0.540 0.000 0.989 1194 D CA 1.235 55.530 54.000 0.491 0.000 0.827 1194 D CB -0.660 40.469 40.800 0.549 0.000 0.966 1194 D HN 0.299 nan 8.370 nan 0.000 0.456 1195 V N 1.013 121.078 119.914 0.252 0.000 2.282 1195 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 1195 V C 2.216 178.537 176.094 0.378 0.000 1.057 1195 V CA 1.657 63.990 62.300 0.055 0.000 1.032 1195 V CB -0.622 31.063 31.823 -0.230 0.000 0.645 1195 V HN 0.420 nan 8.190 nan 0.000 0.447 1196 W N 1.225 122.686 121.300 0.268 0.000 2.302 1196 W HA -0.267 4.393 4.660 -0.000 0.000 0.320 1196 W C 2.576 179.366 176.519 0.451 0.000 1.241 1196 W CA 2.491 60.060 57.345 0.372 0.000 1.264 1196 W CB -0.664 28.954 29.460 0.263 0.000 1.154 1196 W HN 0.357 nan 8.180 nan 0.000 0.483 1197 S N 0.752 116.896 115.700 0.739 0.000 2.359 1197 S HA -0.264 4.206 4.470 -0.000 0.000 0.224 1197 S C 1.563 176.476 174.600 0.522 0.000 1.035 1197 S CA 1.710 60.302 58.200 0.653 0.000 1.018 1197 S CB -1.244 62.315 63.200 0.598 0.000 0.876 1197 S HN 0.357 nan 8.310 nan 0.000 0.448 1198 F N 2.698 122.869 119.950 0.369 0.000 2.154 1198 F HA -0.131 4.396 4.527 -0.000 0.000 0.301 1198 F C 2.226 178.136 175.800 0.183 0.000 1.087 1198 F CA 1.351 59.529 58.000 0.297 0.000 1.274 1198 F CB -0.961 38.286 39.000 0.411 0.000 1.009 1198 F HN 0.213 nan 8.300 nan 0.000 0.485 1199 G N -0.069 108.802 108.800 0.118 0.000 2.418 1199 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 1199 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 1199 G C 1.707 176.665 174.900 0.096 0.000 1.158 1199 G CA 1.258 46.237 45.100 -0.202 0.000 0.771 1199 G HN 0.355 nan 8.290 nan 0.000 0.545 1200 V N 1.006 121.108 119.914 0.315 0.000 2.407 1200 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 1200 V C 3.048 179.299 176.094 0.262 0.000 1.055 1200 V CA 1.684 64.129 62.300 0.241 0.000 1.049 1200 V CB -0.381 31.414 31.823 -0.046 0.000 0.662 1200 V HN 0.389 nan 8.190 nan 0.000 0.455 1201 V N -1.082 118.962 119.914 0.216 0.000 2.719 1201 V HA -0.093 4.027 4.120 -0.000 0.000 0.252 1201 V C 2.075 178.180 176.094 0.020 0.000 1.065 1201 V CA 1.473 63.882 62.300 0.182 0.000 1.086 1201 V CB -0.364 31.556 31.823 0.162 0.000 0.700 1201 V HN 0.460 nan 8.190 nan 0.000 0.467 1202 L N -1.356 119.774 121.223 -0.154 0.000 2.046 1202 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 1202 L C 2.413 179.292 176.870 0.015 0.000 1.077 1202 L CA 2.527 57.259 54.840 -0.180 0.000 0.747 1202 L CB -0.656 41.203 42.059 -0.334 0.000 0.896 1202 L HN 0.579 nan 8.230 nan 0.000 0.432 1203 W N 1.317 122.591 121.300 -0.042 0.000 2.374 1203 W HA -0.174 4.486 4.660 -0.000 0.000 0.288 1203 W C 2.415 178.941 176.519 0.011 0.000 1.218 1203 W CA 1.472 58.841 57.345 0.040 0.000 1.245 1203 W CB 0.110 29.660 29.460 0.149 0.000 1.126 1203 W HN 0.114 nan 8.180 nan 0.000 0.545 1204 E N 0.026 120.403 120.200 0.296 0.000 2.072 1204 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 1204 E C 2.123 178.731 176.600 0.014 0.000 0.985 1204 E CA 1.646 58.161 56.400 0.191 0.000 0.801 1204 E CB -0.495 29.386 29.700 0.301 0.000 0.750 1204 E HN 0.330 nan 8.360 nan 0.000 0.452 1205 I N 1.404 121.983 120.570 0.015 0.000 2.194 1205 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 1205 I C 2.570 178.629 176.117 -0.097 0.000 1.093 1205 I CA 1.134 62.422 61.300 -0.021 0.000 1.355 1205 I CB -0.368 37.621 38.000 -0.019 0.000 1.046 1205 I HN 0.089 nan 8.210 nan 0.000 0.413 1206 A N 0.198 122.921 122.820 -0.163 0.000 1.969 1206 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 1206 A C 2.205 179.605 177.584 -0.306 0.000 1.169 1206 A CA 2.148 54.049 52.037 -0.228 0.000 0.635 1206 A CB -0.815 18.030 19.000 -0.258 0.000 0.810 1206 A HN 0.526 nan 8.150 nan 0.000 0.445 1207 T N -3.249 111.057 114.554 -0.414 0.000 3.176 1207 T HA 0.451 4.801 4.350 -0.000 0.000 0.263 1207 T C 0.375 174.935 174.700 -0.234 0.000 1.021 1207 T CA 0.125 61.976 62.100 -0.416 0.000 0.905 1207 T CB -0.744 67.685 68.868 -0.731 0.000 1.057 1207 T HN 0.592 nan 8.240 nan 0.000 0.558 1208 L N 0.466 121.592 121.223 -0.162 0.000 3.660 1208 L HA -0.250 4.090 4.340 -0.000 0.000 0.440 1208 L C 0.854 177.690 176.870 -0.056 0.000 1.262 1208 L CA 0.190 54.969 54.840 -0.101 0.000 0.837 1208 L CB -2.571 39.422 42.059 -0.110 0.000 1.689 1208 L HN 0.804 nan 8.230 nan 0.000 0.890 1209 A N -0.950 121.858 122.820 -0.020 0.000 2.971 1209 A HA -0.184 4.136 4.320 -0.000 0.000 0.280 1209 A C 0.602 178.241 177.584 0.092 0.000 1.430 1209 A CA 1.363 53.446 52.037 0.075 0.000 0.749 1209 A CB -1.290 17.760 19.000 0.084 0.000 1.038 1209 A HN 0.675 nan 8.150 nan 0.000 0.510 1210 E N -0.196 120.040 120.200 0.060 0.000 2.392 1210 E HA 0.240 4.590 4.350 -0.000 0.000 0.259 1210 E C 0.571 177.338 176.600 0.280 0.000 1.108 1210 E CA -0.434 56.040 56.400 0.123 0.000 0.916 1210 E CB 0.413 30.142 29.700 0.050 0.000 0.989 1210 E HN 0.598 nan 8.360 nan 0.000 0.432 1211 Q N 2.704 122.638 119.800 0.223 0.000 2.293 1211 Q HA 0.149 4.489 4.340 -0.000 0.000 0.263 1211 Q C -2.281 173.774 176.000 0.092 0.000 1.002 1211 Q CA -1.840 54.076 55.803 0.188 0.000 0.910 1211 Q CB 0.672 29.496 28.738 0.144 0.000 1.185 1211 Q HN 0.127 nan 8.270 nan 0.000 0.401 1212 P HA -0.066 nan 4.420 nan 0.000 0.268 1212 P C -1.326 175.687 177.300 -0.477 0.000 1.204 1212 P CA 0.340 62.975 63.100 -0.775 0.000 0.768 1212 P CB 0.100 31.171 31.700 -1.048 0.000 0.842 1213 Y N -0.847 119.191 120.300 -0.436 0.000 3.234 1213 Y HA -0.259 4.291 4.550 -0.000 0.000 0.207 1213 Y C 0.886 176.687 175.900 -0.166 0.000 1.316 1213 Y CA 0.290 58.215 58.100 -0.292 0.000 1.309 1213 Y CB -2.758 35.535 38.460 -0.278 0.000 1.408 1213 Y HN 0.448 nan 8.280 nan 0.000 0.544 1214 Q N 0.711 120.502 119.800 -0.015 0.000 2.386 1214 Q HA 0.313 4.653 4.340 -0.000 0.000 0.282 1214 Q C 1.520 177.517 176.000 -0.005 0.000 1.050 1214 Q CA 1.403 57.219 55.803 0.022 0.000 0.918 1214 Q CB 0.538 29.306 28.738 0.051 0.000 1.266 1214 Q HN 0.836 nan 8.270 nan 0.000 0.423 1215 G N 2.484 111.282 108.800 -0.003 0.000 2.253 1215 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 1215 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 1215 G C -0.063 174.811 174.900 -0.043 0.000 0.998 1215 G CA 0.218 45.304 45.100 -0.023 0.000 0.621 1215 G HN 0.490 nan 8.290 nan 0.000 0.524 1216 L N 1.577 122.771 121.223 -0.049 0.000 2.344 1216 L HA 0.657 4.997 4.340 -0.000 0.000 0.272 1216 L C 1.122 177.974 176.870 -0.029 0.000 1.035 1216 L CA -0.202 54.598 54.840 -0.067 0.000 0.807 1216 L CB 1.710 43.691 42.059 -0.131 0.000 1.237 1216 L HN 0.415 nan 8.230 nan 0.000 0.442 1217 S N -0.114 115.569 115.700 -0.029 0.000 2.672 1217 S HA 0.249 4.718 4.470 -0.000 0.000 0.276 1217 S C 0.721 175.312 174.600 -0.015 0.000 1.207 1217 S CA -0.814 57.381 58.200 -0.010 0.000 1.002 1217 S CB 1.267 64.463 63.200 -0.007 0.000 0.998 1217 S HN 0.555 nan 8.310 nan 0.000 0.542 1218 N N 1.407 120.109 118.700 0.003 0.000 2.094 1218 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 1218 N C 1.584 177.084 175.510 -0.016 0.000 1.023 1218 N CA 1.415 54.466 53.050 0.001 0.000 0.857 1218 N CB -0.600 37.902 38.487 0.025 0.000 1.013 1218 N HN 0.681 nan 8.380 nan 0.000 0.426 1219 E N 1.209 121.403 120.200 -0.010 0.000 2.048 1219 E HA -0.217 4.133 4.350 -0.000 0.000 0.202 1219 E C 1.889 178.477 176.600 -0.020 0.000 1.021 1219 E CA 1.374 57.767 56.400 -0.012 0.000 0.825 1219 E CB -0.199 29.497 29.700 -0.007 0.000 0.756 1219 E HN 0.600 nan 8.360 nan 0.000 0.454 1220 Q N 0.098 119.884 119.800 -0.024 0.000 2.119 1220 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 1220 Q C 2.442 178.426 176.000 -0.025 0.000 0.972 1220 Q CA 1.185 56.976 55.803 -0.021 0.000 0.847 1220 Q CB -0.202 28.513 28.738 -0.039 0.000 0.903 1220 Q HN 0.103 nan 8.270 nan 0.000 0.433 1221 V N 1.753 121.615 119.914 -0.087 0.000 2.282 1221 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 1221 V C 2.274 178.286 176.094 -0.137 0.000 1.057 1221 V CA 1.427 63.615 62.300 -0.187 0.000 1.032 1221 V CB -0.672 30.986 31.823 -0.275 0.000 0.645 1221 V HN 0.355 nan 8.190 nan 0.000 0.447 1222 L N 0.221 121.387 121.223 -0.095 0.000 1.951 1222 L HA -0.239 4.101 4.340 -0.000 0.000 0.222 1222 L C 2.638 179.469 176.870 -0.065 0.000 1.078 1222 L CA 2.267 57.057 54.840 -0.083 0.000 0.778 1222 L CB -1.262 40.767 42.059 -0.051 0.000 0.893 1222 L HN 0.279 nan 8.230 nan 0.000 0.436 1223 R N -1.589 118.897 120.500 -0.024 0.000 2.115 1223 R HA -0.278 4.062 4.340 -0.000 0.000 0.239 1223 R C 2.233 178.541 176.300 0.013 0.000 1.133 1223 R CA 2.245 58.343 56.100 -0.002 0.000 0.935 1223 R CB -0.760 29.553 30.300 0.022 0.000 0.853 1223 R HN 0.398 nan 8.270 nan 0.000 0.433 1224 F N 0.865 120.751 119.950 -0.108 0.000 2.095 1224 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 1224 F C 1.996 177.738 175.800 -0.096 0.000 1.104 1224 F CA 1.550 59.492 58.000 -0.098 0.000 1.232 1224 F CB -0.331 38.595 39.000 -0.122 0.000 0.987 1224 F HN -0.217 nan 8.300 nan 0.000 0.475 1225 V N 0.464 120.247 119.914 -0.218 0.000 2.379 1225 V HA -0.309 3.811 4.120 -0.000 0.000 0.245 1225 V C 2.443 178.410 176.094 -0.212 0.000 1.044 1225 V CA 2.144 64.267 62.300 -0.295 0.000 1.036 1225 V CB -0.582 31.082 31.823 -0.265 0.000 0.664 1225 V HN 0.395 nan 8.190 nan 0.000 0.453 1226 M N -0.423 119.083 119.600 -0.157 0.000 2.213 1226 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 1226 M C 1.739 178.082 176.300 0.071 0.000 1.062 1226 M CA 1.574 56.830 55.300 -0.073 0.000 1.105 1226 M CB -0.244 32.309 32.600 -0.079 0.000 1.385 1226 M HN 0.380 nan 8.290 nan 0.000 0.417 1227 E N -0.656 119.519 120.200 -0.041 0.000 2.445 1227 E HA 0.147 4.497 4.350 -0.000 0.000 0.189 1227 E C 1.030 177.555 176.600 -0.125 0.000 1.069 1227 E CA 0.420 56.777 56.400 -0.071 0.000 0.871 1227 E CB 0.262 29.913 29.700 -0.082 0.000 0.991 1227 E HN 0.666 nan 8.360 nan 0.000 0.481 1228 G N 1.200 109.966 108.800 -0.056 0.000 2.192 1228 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.193 1228 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.193 1228 G C 0.628 175.416 174.900 -0.186 0.000 0.999 1228 G CA -0.485 44.594 45.100 -0.035 0.000 0.659 1228 G HN 0.473 nan 8.290 nan 0.000 0.503 1229 G N -0.089 108.346 108.800 -0.609 0.000 2.474 1229 G HA2 0.452 4.412 3.960 -0.000 0.000 0.233 1229 G HA3 0.452 4.412 3.960 -0.000 0.000 0.233 1229 G C 0.040 174.682 174.900 -0.430 0.000 1.278 1229 G CA 0.301 44.624 45.100 -1.294 0.000 0.861 1229 G HN 0.798 nan 8.290 nan 0.000 0.567 1230 L N 0.812 122.023 121.223 -0.020 0.000 2.371 1230 L HA 0.394 4.734 4.340 -0.000 0.000 0.262 1230 L C 0.085 177.064 176.870 0.182 0.000 1.006 1230 L CA -0.977 53.914 54.840 0.085 0.000 0.818 1230 L CB 2.167 44.318 42.059 0.154 0.000 1.354 1230 L HN 0.342 nan 8.230 nan 0.000 0.415 1231 L N 1.566 122.650 121.223 -0.232 0.000 2.461 1231 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 1231 L C -0.132 176.861 176.870 0.205 0.000 1.197 1231 L CA -0.261 54.386 54.840 -0.321 0.000 0.836 1231 L CB 0.293 41.700 42.059 -1.087 0.000 1.105 1231 L HN 0.463 nan 8.230 nan 0.000 0.477 1232 D N 2.255 122.785 120.400 0.216 0.000 2.341 1232 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 1232 D C 0.108 176.553 176.300 0.242 0.000 1.106 1232 D CA -0.266 53.874 54.000 0.233 0.000 0.905 1232 D CB 0.920 41.795 40.800 0.126 0.000 1.202 1232 D HN 0.301 nan 8.370 nan 0.000 0.426 1233 K N 2.480 122.713 120.400 -0.278 0.000 2.472 1233 K HA 0.059 4.379 4.320 -0.000 0.000 0.280 1233 K C -2.331 174.098 176.600 -0.285 0.000 1.028 1233 K CA -0.884 54.902 56.287 -0.835 0.000 1.045 1233 K CB 0.194 31.913 32.500 -1.301 0.000 0.902 1233 K HN 0.060 nan 8.250 nan 0.000 0.478 1234 P HA 0.004 nan 4.420 nan 0.000 0.269 1234 P C -1.081 176.102 177.300 -0.195 0.000 1.209 1234 P CA -0.105 62.859 63.100 -0.227 0.000 0.776 1234 P CB 0.481 31.961 31.700 -0.365 0.000 0.876 1235 D N 2.578 122.886 120.400 -0.152 0.000 2.371 1235 D HA 0.053 4.693 4.640 -0.000 0.000 0.256 1235 D C 0.523 176.748 176.300 -0.125 0.000 1.193 1235 D CA 0.613 54.540 54.000 -0.123 0.000 0.881 1235 D CB -0.330 40.415 40.800 -0.092 0.000 1.143 1235 D HN 0.462 nan 8.370 nan 0.000 0.473 1236 N N 0.306 118.939 118.700 -0.112 0.000 3.049 1236 N HA -0.160 4.580 4.740 -0.000 0.000 0.226 1236 N C -0.470 174.976 175.510 -0.105 0.000 0.952 1236 N CA -0.089 52.901 53.050 -0.099 0.000 0.986 1236 N CB -1.114 37.313 38.487 -0.099 0.000 1.073 1236 N HN 0.342 nan 8.380 nan 0.000 0.553 1237 C N 2.398 121.626 119.300 -0.119 0.000 2.285 1237 C HA 0.398 4.858 4.460 -0.000 0.000 0.335 1237 C C -2.003 172.949 174.990 -0.062 0.000 1.267 1237 C CA -1.568 57.389 59.018 -0.102 0.000 1.762 1237 C CB -0.146 27.522 27.740 -0.120 0.000 2.365 1237 C HN 0.107 nan 8.230 nan 0.000 0.527 1238 P HA 0.059 nan 4.420 nan 0.000 0.261 1238 P C 0.700 178.006 177.300 0.010 0.000 1.183 1238 P CA 0.559 63.645 63.100 -0.022 0.000 0.761 1238 P CB 0.518 32.203 31.700 -0.024 0.000 0.785 1239 D N 2.718 123.129 120.400 0.017 0.000 2.192 1239 D HA -0.244 4.396 4.640 -0.000 0.000 0.189 1239 D C 1.643 177.988 176.300 0.076 0.000 1.007 1239 D CA 1.443 55.480 54.000 0.062 0.000 0.859 1239 D CB -0.223 40.603 40.800 0.043 0.000 0.936 1239 D HN 0.335 nan 8.370 nan 0.000 0.447 1240 M N 0.141 119.758 119.600 0.030 0.000 2.088 1240 M HA -0.229 4.251 4.480 -0.000 0.000 0.256 1240 M C 2.274 178.573 176.300 -0.001 0.000 1.071 1240 M CA 1.363 56.668 55.300 0.009 0.000 1.097 1240 M CB -0.653 31.943 32.600 -0.007 0.000 1.315 1240 M HN 0.116 nan 8.290 nan 0.000 0.406 1241 L N 0.020 121.245 121.223 0.004 0.000 2.201 1241 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 1241 L C 2.074 178.932 176.870 -0.021 0.000 1.105 1241 L CA 1.409 56.234 54.840 -0.023 0.000 0.775 1241 L CB -0.713 41.330 42.059 -0.027 0.000 0.913 1241 L HN 0.379 nan 8.230 nan 0.000 0.440 1242 F N -0.858 119.032 119.950 -0.100 0.000 2.569 1242 F HA 0.014 4.541 4.527 -0.000 0.000 0.295 1242 F C 2.179 177.905 175.800 -0.124 0.000 1.115 1242 F CA 0.517 58.454 58.000 -0.105 0.000 1.450 1242 F CB 0.115 39.093 39.000 -0.035 0.000 1.107 1242 F HN 0.045 nan 8.300 nan 0.000 0.563 1243 E N 0.716 120.859 120.200 -0.096 0.000 2.047 1243 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 1243 E C 2.490 178.927 176.600 -0.272 0.000 0.987 1243 E CA 0.895 57.195 56.400 -0.166 0.000 0.799 1243 E CB -0.893 28.775 29.700 -0.054 0.000 0.752 1243 E HN 0.430 nan 8.360 nan 0.000 0.449 1244 L N 0.235 121.325 121.223 -0.221 0.000 2.013 1244 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 1244 L C 2.467 179.091 176.870 -0.410 0.000 1.073 1244 L CA 1.358 56.065 54.840 -0.221 0.000 0.753 1244 L CB -0.206 41.776 42.059 -0.127 0.000 0.890 1244 L HN 0.213 nan 8.230 nan 0.000 0.432 1245 M N -1.174 118.041 119.600 -0.642 0.000 2.080 1245 M HA -0.272 4.208 4.480 -0.000 0.000 0.260 1245 M C 2.280 177.762 176.300 -1.364 0.000 1.068 1245 M CA 1.792 56.353 55.300 -1.231 0.000 1.109 1245 M CB -0.501 31.209 32.600 -1.483 0.000 1.342 1245 M HN 0.145 nan 8.290 nan 0.000 0.405 1246 R N -0.005 119.917 120.500 -0.963 0.000 2.152 1246 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 1246 R C 2.037 178.161 176.300 -0.293 0.000 1.117 1246 R CA 1.329 57.103 56.100 -0.544 0.000 0.981 1246 R CB -0.275 29.771 30.300 -0.423 0.000 0.870 1246 R HN 0.476 nan 8.270 nan 0.000 0.451 1247 M N -0.993 118.423 119.600 -0.306 0.000 2.236 1247 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 1247 M C 2.207 178.420 176.300 -0.145 0.000 1.070 1247 M CA 1.005 56.207 55.300 -0.163 0.000 1.137 1247 M CB -0.032 32.489 32.600 -0.131 0.000 1.378 1247 M HN 0.140 nan 8.290 nan 0.000 0.426 1248 C N -0.395 118.731 119.300 -0.290 0.000 2.449 1248 C HA -0.092 4.368 4.460 -0.000 0.000 0.283 1248 C C 1.463 176.421 174.990 -0.054 0.000 1.453 1248 C CA 0.152 59.050 59.018 -0.200 0.000 1.779 1248 C CB -1.224 26.354 27.740 -0.271 0.000 1.779 1248 C HN 0.664 nan 8.230 nan 0.000 0.546 1249 W N -0.078 121.102 121.300 -0.200 0.000 3.123 1249 W HA 0.353 5.013 4.660 -0.000 0.000 0.383 1249 W C 0.772 177.366 176.519 0.124 0.000 1.102 1249 W CA -0.878 56.305 57.345 -0.271 0.000 1.865 1249 W CB -1.144 27.961 29.460 -0.590 0.000 1.111 1249 W HN 0.222 nan 8.180 nan 0.000 0.621 1250 Q N 0.290 120.258 119.800 0.279 0.000 2.304 1250 Q HA -0.157 4.183 4.340 -0.000 0.000 0.315 1250 Q C 1.075 177.272 176.000 0.328 0.000 1.075 1250 Q CA 0.581 56.529 55.803 0.240 0.000 0.988 1250 Q CB 0.309 29.121 28.738 0.122 0.000 1.146 1250 Q HN 0.349 nan 8.270 nan 0.000 0.383 1251 Y N 3.159 123.562 120.300 0.171 0.000 2.163 1251 Y HA -0.138 4.412 4.550 -0.000 0.000 0.288 1251 Y C 0.832 176.754 175.900 0.038 0.000 1.136 1251 Y CA 1.393 59.559 58.100 0.111 0.000 1.147 1251 Y CB 0.289 38.775 38.460 0.043 0.000 0.987 1251 Y HN 0.653 nan 8.280 nan 0.000 0.509 1252 N N 1.704 120.544 118.700 0.233 0.000 2.406 1252 N HA -0.004 4.736 4.740 -0.000 0.000 0.274 1252 N C -2.113 173.379 175.510 -0.029 0.000 1.249 1252 N CA -1.282 51.818 53.050 0.084 0.000 0.951 1252 N CB 0.923 39.444 38.487 0.056 0.000 1.241 1252 N HN 0.128 nan 8.380 nan 0.000 0.485 1253 P HA -0.191 nan 4.420 nan 0.000 0.217 1253 P C 0.763 177.777 177.300 -0.476 0.000 1.151 1253 P CA 1.644 64.648 63.100 -0.160 0.000 0.849 1253 P CB 0.282 31.918 31.700 -0.107 0.000 0.787 1254 K N -1.550 118.536 120.400 -0.523 0.000 2.362 1254 K HA 0.005 4.325 4.320 -0.000 0.000 0.200 1254 K C 1.518 177.947 176.600 -0.285 0.000 1.046 1254 K CA 0.836 56.775 56.287 -0.581 0.000 0.952 1254 K CB -0.224 32.071 32.500 -0.341 0.000 0.753 1254 K HN 0.129 nan 8.250 nan 0.000 0.466 1255 M N 0.482 119.985 119.600 -0.162 0.000 2.561 1255 M HA 0.052 4.532 4.480 -0.000 0.000 0.238 1255 M C 0.265 176.538 176.300 -0.044 0.000 1.131 1255 M CA 0.598 55.856 55.300 -0.070 0.000 1.046 1255 M CB -0.220 32.369 32.600 -0.019 0.000 1.532 1255 M HN -0.050 nan 8.290 nan 0.000 0.497 1256 R N 0.831 121.301 120.500 -0.050 0.000 2.560 1256 R HA 0.335 4.675 4.340 -0.000 0.000 0.270 1256 R C -2.204 174.084 176.300 -0.020 0.000 1.074 1256 R CA -1.507 54.589 56.100 -0.006 0.000 1.140 1256 R CB -0.356 29.978 30.300 0.056 0.000 1.073 1256 R HN -0.016 nan 8.270 nan 0.000 0.527 1257 P HA 0.013 nan 4.420 nan 0.000 0.274 1257 P C -0.561 176.684 177.300 -0.092 0.000 1.231 1257 P CA -0.395 62.673 63.100 -0.053 0.000 0.790 1257 P CB 0.909 32.568 31.700 -0.068 0.000 0.951 1258 S N 0.924 116.592 115.700 -0.052 0.000 2.614 1258 S HA 0.216 4.686 4.470 -0.000 0.000 0.265 1258 S C 0.851 175.370 174.600 -0.135 0.000 1.303 1258 S CA -0.236 57.916 58.200 -0.081 0.000 1.000 1258 S CB -0.106 63.120 63.200 0.043 0.000 0.935 1258 S HN 0.189 nan 8.310 nan 0.000 0.551 1259 F N 0.464 120.411 119.950 -0.005 0.000 2.216 1259 F HA 0.042 4.569 4.527 -0.000 0.000 0.300 1259 F C 2.021 177.828 175.800 0.011 0.000 1.085 1259 F CA 0.869 58.823 58.000 -0.077 0.000 1.326 1259 F CB -0.711 38.248 39.000 -0.068 0.000 1.027 1259 F HN 0.463 nan 8.300 nan 0.000 0.497 1260 L N -0.443 120.936 121.223 0.261 0.000 2.027 1260 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 1260 L C 2.362 179.349 176.870 0.194 0.000 1.074 1260 L CA 1.439 56.445 54.840 0.278 0.000 0.745 1260 L CB -0.625 41.579 42.059 0.242 0.000 0.898 1260 L HN 0.138 nan 8.230 nan 0.000 0.433 1261 E N 0.309 120.574 120.200 0.109 0.000 2.058 1261 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 1261 E C 2.239 178.853 176.600 0.023 0.000 0.997 1261 E CA 1.428 57.864 56.400 0.061 0.000 0.801 1261 E CB -0.150 29.567 29.700 0.029 0.000 0.746 1261 E HN 0.444 nan 8.360 nan 0.000 0.450 1262 I N 0.986 121.556 120.570 -0.000 0.000 2.118 1262 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 1262 I C 2.401 178.493 176.117 -0.042 0.000 1.070 1262 I CA 1.261 62.549 61.300 -0.019 0.000 1.327 1262 I CB -0.321 37.649 38.000 -0.051 0.000 1.034 1262 I HN 0.130 nan 8.210 nan 0.000 0.405 1263 I N -0.186 120.347 120.570 -0.061 0.000 2.264 1263 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 1263 I C 2.683 178.604 176.117 -0.326 0.000 1.111 1263 I CA 1.189 62.357 61.300 -0.221 0.000 1.382 1263 I CB -0.382 37.433 38.000 -0.308 0.000 1.060 1263 I HN 0.158 nan 8.210 nan 0.000 0.418 1264 S N 0.422 116.008 115.700 -0.190 0.000 2.368 1264 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 1264 S C 2.145 176.711 174.600 -0.055 0.000 1.030 1264 S CA 1.805 59.953 58.200 -0.086 0.000 0.999 1264 S CB -0.255 62.992 63.200 0.079 0.000 0.844 1264 S HN 0.643 nan 8.310 nan 0.000 0.459 1265 S N 1.268 116.941 115.700 -0.044 0.000 2.515 1265 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 1265 S C 1.329 175.904 174.600 -0.042 0.000 0.987 1265 S CA 0.803 58.986 58.200 -0.028 0.000 0.936 1265 S CB -0.597 62.591 63.200 -0.020 0.000 0.766 1265 S HN 0.768 nan 8.310 nan 0.000 0.528 1266 I N -2.221 118.303 120.570 -0.077 0.000 4.310 1266 I HA 0.364 4.534 4.170 -0.000 0.000 0.328 1266 I C 1.425 177.466 176.117 -0.126 0.000 1.406 1266 I CA -0.511 60.737 61.300 -0.087 0.000 1.174 1266 I CB 0.156 38.103 38.000 -0.088 0.000 1.279 1266 I HN 0.106 nan 8.210 nan 0.000 0.471 1267 K N 0.794 121.113 120.400 -0.135 0.000 2.280 1267 K HA -0.028 4.292 4.320 -0.000 0.000 0.202 1267 K C 1.022 177.621 176.600 -0.002 0.000 1.047 1267 K CA 1.159 57.372 56.287 -0.122 0.000 0.942 1267 K CB -0.088 32.349 32.500 -0.105 0.000 0.739 1267 K HN 0.235 nan 8.250 nan 0.000 0.457 1268 E N 1.134 121.336 120.200 0.004 0.000 2.502 1268 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 1268 E C 0.277 176.873 176.600 -0.006 0.000 1.062 1268 E CA 0.583 56.999 56.400 0.026 0.000 0.867 1268 E CB 0.525 30.245 29.700 0.033 0.000 0.888 1268 E HN 0.430 nan 8.360 nan 0.000 0.510 1269 E N -0.645 119.529 120.200 -0.043 0.000 2.548 1269 E HA 0.152 4.502 4.350 -0.000 0.000 0.206 1269 E C -0.159 176.393 176.600 -0.079 0.000 1.005 1269 E CA -0.063 56.306 56.400 -0.052 0.000 0.951 1269 E CB 0.442 30.109 29.700 -0.055 0.000 1.035 1269 E HN -0.000 nan 8.360 nan 0.000 0.470 1270 M N 1.633 121.169 119.600 -0.106 0.000 2.264 1270 M HA 0.226 4.706 4.480 -0.000 0.000 0.352 1270 M C 0.137 176.421 176.300 -0.027 0.000 1.173 1270 M CA -0.254 54.953 55.300 -0.155 0.000 1.075 1270 M CB 0.973 33.322 32.600 -0.418 0.000 1.621 1270 M HN 0.001 nan 8.290 nan 0.000 0.457 1271 E N 3.925 124.128 120.200 0.005 0.000 2.534 1271 E HA -0.065 4.285 4.350 -0.000 0.000 0.264 1271 E C -1.501 175.163 176.600 0.107 0.000 0.981 1271 E CA -1.015 55.418 56.400 0.055 0.000 0.948 1271 E CB 0.056 29.797 29.700 0.069 0.000 0.934 1271 E HN 0.417 nan 8.360 nan 0.000 0.459 1272 P HA -0.267 nan 4.420 nan 0.000 0.217 1272 P C 1.470 178.835 177.300 0.109 0.000 1.158 1272 P CA 1.919 65.064 63.100 0.075 0.000 0.887 1272 P CB -0.174 31.553 31.700 0.044 0.000 0.792 1273 G N -0.632 108.239 108.800 0.119 0.000 2.545 1273 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.222 1273 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.222 1273 G C 1.413 176.413 174.900 0.167 0.000 1.126 1273 G CA 0.798 45.968 45.100 0.117 0.000 0.754 1273 G HN 0.173 nan 8.290 nan 0.000 0.583 1274 F N 1.610 121.623 119.950 0.106 0.000 2.045 1274 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 1274 F C 2.768 178.673 175.800 0.175 0.000 1.114 1274 F CA 2.460 60.572 58.000 0.187 0.000 1.207 1274 F CB -0.422 38.697 39.000 0.199 0.000 0.964 1274 F HN 0.172 nan 8.300 nan 0.000 0.486 1275 R N 0.407 120.993 120.500 0.144 0.000 2.119 1275 R HA -0.259 4.081 4.340 -0.000 0.000 0.246 1275 R C 2.048 178.295 176.300 -0.088 0.000 1.146 1275 R CA 2.408 58.432 56.100 -0.127 0.000 0.962 1275 R CB -0.511 29.579 30.300 -0.351 0.000 0.863 1275 R HN 0.529 nan 8.270 nan 0.000 0.442 1276 E N -0.189 119.965 120.200 -0.076 0.000 2.072 1276 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 1276 E C 1.942 178.465 176.600 -0.128 0.000 0.985 1276 E CA 1.588 57.934 56.400 -0.089 0.000 0.801 1276 E CB 0.029 29.680 29.700 -0.082 0.000 0.750 1276 E HN 0.461 nan 8.360 nan 0.000 0.452 1277 V N -0.654 119.150 119.914 -0.183 0.000 3.471 1277 V HA 0.095 4.215 4.120 -0.000 0.000 0.258 1277 V C 1.043 176.986 176.094 -0.252 0.000 1.192 1277 V CA 0.063 62.178 62.300 -0.307 0.000 1.116 1277 V CB 0.114 31.570 31.823 -0.612 0.000 0.792 1277 V HN 0.132 nan 8.190 nan 0.000 0.459 1278 S N -0.058 115.471 115.700 -0.285 0.000 2.603 1278 S HA 0.327 4.797 4.470 -0.000 0.000 0.268 1278 S C 0.629 175.201 174.600 -0.048 0.000 1.317 1278 S CA 0.094 58.111 58.200 -0.304 0.000 1.012 1278 S CB 0.957 63.562 63.200 -0.992 0.000 0.926 1278 S HN 0.473 nan 8.310 nan 0.000 0.539 1279 F N 2.388 122.315 119.950 -0.038 0.000 2.293 1279 F HA 0.038 4.565 4.527 -0.000 0.000 0.297 1279 F C 1.810 177.659 175.800 0.081 0.000 1.089 1279 F CA 0.978 59.004 58.000 0.044 0.000 1.377 1279 F CB -0.729 38.343 39.000 0.119 0.000 1.051 1279 F HN 0.842 nan 8.300 nan 0.000 0.511 1280 Y N 0.358 120.508 120.300 -0.250 0.000 2.040 1280 Y HA -0.333 4.217 4.550 -0.000 0.000 0.275 1280 Y C 1.117 176.740 175.900 -0.463 0.000 1.171 1280 Y CA 2.254 60.116 58.100 -0.397 0.000 1.123 1280 Y CB -0.882 37.466 38.460 -0.186 0.000 0.963 1280 Y HN 0.111 nan 8.280 nan 0.000 0.493 1281 Y N 1.002 121.255 120.300 -0.079 0.000 2.775 1281 Y HA 0.187 4.737 4.550 -0.000 0.000 0.349 1281 Y C 0.479 176.284 175.900 -0.158 0.000 1.094 1281 Y CA -0.310 57.723 58.100 -0.111 0.000 1.467 1281 Y CB -0.297 38.178 38.460 0.024 0.000 1.272 1281 Y HN 0.018 nan 8.280 nan 0.000 0.515 1282 S N -2.315 113.300 115.700 -0.143 0.000 2.689 1282 S HA 0.304 4.774 4.470 -0.000 0.000 0.306 1282 S C 0.878 175.417 174.600 -0.102 0.000 1.104 1282 S CA -0.930 57.219 58.200 -0.085 0.000 0.973 1282 S CB 1.726 64.912 63.200 -0.023 0.000 1.121 1282 S HN 0.175 nan 8.310 nan 0.000 0.523 1283 E N 1.472 121.655 120.200 -0.028 0.000 2.051 1283 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 1283 E C 1.685 178.284 176.600 -0.002 0.000 0.991 1283 E CA 1.542 57.934 56.400 -0.015 0.000 0.799 1283 E CB -0.591 29.116 29.700 0.012 0.000 0.748 1283 E HN 0.829 nan 8.360 nan 0.000 0.449 1284 E N 0.951 121.190 120.200 0.066 0.000 2.284 1284 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 1284 E C 0.773 177.439 176.600 0.111 0.000 1.008 1284 E CA 0.583 57.078 56.400 0.157 0.000 0.829 1284 E CB -0.253 29.663 29.700 0.359 0.000 0.744 1284 E HN 0.009 nan 8.360 nan 0.000 0.491 1285 N N 1.004 119.637 118.700 -0.112 0.000 2.767 1285 N HA 0.143 4.883 4.740 -0.000 0.000 0.238 1285 N C -1.017 174.381 175.510 -0.187 0.000 1.083 1285 N CA 0.202 53.083 53.050 -0.282 0.000 0.964 1285 N CB 0.128 38.120 38.487 -0.825 0.000 1.252 1285 N HN 0.021 nan 8.380 nan 0.000 0.512 1286 K N 0.000 120.356 120.400 -0.073 0.000 2.780 1286 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1286 K CA 0.000 56.251 56.287 -0.059 0.000 0.838 1286 K CB 0.000 32.460 32.500 -0.067 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543