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_J DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXXPSL 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 YYSEEN 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 0.000 174.677 174.600 0.128 0.000 1.055 980 S CA 0.000 58.255 58.200 0.093 0.000 1.107 980 S CB 0.000 63.245 63.200 0.075 0.000 0.593 981 F N 2.990 122.951 119.950 0.018 0.000 2.438 981 F HA 0.668 5.195 4.527 -0.000 0.000 0.356 981 F C 0.582 176.401 175.800 0.032 0.000 1.099 981 F CA 0.925 58.939 58.000 0.024 0.000 1.185 981 F CB 1.015 40.027 39.000 0.020 0.000 1.115 981 F HN 1.002 nan 8.300 nan 0.000 0.526 982 S N 3.697 119.198 115.700 -0.332 0.000 2.638 982 S HA 0.689 5.159 4.470 -0.000 0.000 0.274 982 S C 0.498 174.945 174.600 -0.256 0.000 1.157 982 S CA -0.458 57.642 58.200 -0.167 0.000 0.826 982 S CB 1.139 64.291 63.200 -0.080 0.000 1.139 982 S HN 0.914 nan 8.310 nan 0.000 0.474 983 A N 1.385 124.164 122.820 -0.068 0.000 1.940 983 A HA -0.049 4.271 4.320 -0.000 0.000 0.221 983 A C 2.381 179.989 177.584 0.041 0.000 1.190 983 A CA 2.827 54.893 52.037 0.048 0.000 0.647 983 A CB -1.840 17.141 19.000 -0.031 0.000 0.821 983 A HN 1.740 nan 8.150 nan 0.000 0.457 984 A N -0.380 122.409 122.820 -0.052 0.000 1.958 984 A HA -0.275 4.045 4.320 -0.000 0.000 0.221 984 A C 1.804 179.339 177.584 -0.082 0.000 1.178 984 A CA 1.964 53.973 52.037 -0.046 0.000 0.642 984 A CB -0.675 18.297 19.000 -0.045 0.000 0.816 984 A HN 0.602 nan 8.150 nan 0.000 0.453 985 D N -0.790 119.474 120.400 -0.226 0.000 2.178 985 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 985 D C 1.994 178.181 176.300 -0.189 0.000 0.980 985 D CA 1.804 55.632 54.000 -0.286 0.000 0.842 985 D CB 0.010 40.408 40.800 -0.670 0.000 0.948 985 D HN 0.460 nan 8.370 nan 0.000 0.472 986 V N -1.453 118.356 119.914 -0.175 0.000 2.949 986 V HA -0.028 4.092 4.120 -0.000 0.000 0.245 986 V C 1.351 177.335 176.094 -0.184 0.000 1.086 986 V CA 0.590 62.796 62.300 -0.155 0.000 1.097 986 V CB -0.405 31.306 31.823 -0.187 0.000 0.762 986 V HN 0.009 nan 8.190 nan 0.000 0.470 987 Y N 1.443 121.693 120.300 -0.083 0.000 2.466 987 Y HA 0.438 4.988 4.550 -0.000 0.000 0.272 987 Y C 0.816 176.663 175.900 -0.089 0.000 1.169 987 Y CA 0.490 58.541 58.100 -0.081 0.000 1.285 987 Y CB 0.697 39.097 38.460 -0.100 0.000 1.078 987 Y HN 0.289 nan 8.280 nan 0.000 0.523 988 V N -1.660 118.283 119.914 0.048 0.000 2.487 988 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 988 V C -2.827 173.317 176.094 0.083 0.000 1.028 988 V CA -3.203 59.120 62.300 0.038 0.000 0.860 988 V CB 1.316 33.147 31.823 0.013 0.000 0.991 988 V HN -0.178 nan 8.190 nan 0.000 0.427 989 P HA 0.172 nan 4.420 nan 0.000 0.265 989 P C 0.171 177.537 177.300 0.110 0.000 1.193 989 P CA 0.104 63.289 63.100 0.142 0.000 0.765 989 P CB 0.447 32.287 31.700 0.233 0.000 0.823 990 D N 1.971 122.389 120.400 0.030 0.000 2.368 990 D HA -0.082 4.558 4.640 -0.000 0.000 0.250 990 D C 0.692 176.963 176.300 -0.049 0.000 1.142 990 D CA 0.652 54.654 54.000 0.004 0.000 0.925 990 D CB 0.260 41.057 40.800 -0.006 0.000 0.896 990 D HN 0.581 nan 8.370 nan 0.000 0.525 991 E N -1.091 119.039 120.200 -0.116 0.000 2.569 991 E HA 0.017 4.367 4.350 -0.000 0.000 0.205 991 E C 0.593 176.856 176.600 -0.561 0.000 1.006 991 E CA -0.327 55.887 56.400 -0.309 0.000 0.985 991 E CB -0.413 29.055 29.700 -0.386 0.000 1.060 991 E HN 0.342 nan 8.360 nan 0.000 0.460 992 W N 1.358 122.633 121.300 -0.042 0.000 2.714 992 W HA 0.220 4.880 4.660 -0.000 0.000 0.353 992 W C 0.568 177.064 176.519 -0.039 0.000 0.999 992 W CA -0.564 56.753 57.345 -0.046 0.000 1.629 992 W CB 0.801 30.223 29.460 -0.064 0.000 1.106 992 W HN -0.017 nan 8.180 nan 0.000 0.545 993 E N 2.117 122.387 120.200 0.118 0.000 2.437 993 E HA 0.215 4.565 4.350 -0.000 0.000 0.263 993 E C -0.193 176.435 176.600 0.046 0.000 1.030 993 E CA 0.304 56.744 56.400 0.066 0.000 0.934 993 E CB 0.900 30.616 29.700 0.027 0.000 0.943 993 E HN -0.037 nan 8.360 nan 0.000 0.444 994 V N 1.148 121.086 119.914 0.041 0.000 3.159 994 V HA 0.861 4.981 4.120 -0.000 0.000 0.308 994 V C -1.147 174.958 176.094 0.018 0.000 1.190 994 V CA -0.348 61.968 62.300 0.027 0.000 1.037 994 V CB 1.766 33.611 31.823 0.035 0.000 1.060 994 V HN 0.877 nan 8.190 nan 0.000 0.437 995 A N 3.428 126.255 122.820 0.011 0.000 2.289 995 A HA 0.617 4.937 4.320 -0.000 0.000 0.298 995 A C 1.039 178.626 177.584 0.006 0.000 1.208 995 A CA -0.178 51.864 52.037 0.007 0.000 0.845 995 A CB 0.570 19.572 19.000 0.003 0.000 1.125 995 A HN 1.256 nan 8.150 nan 0.000 0.517 996 R N 2.067 122.569 120.500 0.003 0.000 2.341 996 R HA -0.132 4.208 4.340 -0.000 0.000 0.213 996 R C 0.741 177.037 176.300 -0.006 0.000 1.082 996 R CA 1.485 57.583 56.100 -0.002 0.000 1.017 996 R CB -0.093 30.203 30.300 -0.007 0.000 0.860 996 R HN 0.784 nan 8.270 nan 0.000 0.473 997 E N 2.037 122.235 120.200 -0.003 0.000 2.274 997 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 997 E C 0.913 177.512 176.600 -0.002 0.000 0.996 997 E CA 0.813 57.211 56.400 -0.004 0.000 0.840 997 E CB -0.098 29.601 29.700 -0.003 0.000 0.772 997 E HN 0.454 nan 8.360 nan 0.000 0.491 998 K N 0.416 120.816 120.400 0.001 0.000 2.444 998 K HA 0.159 4.479 4.320 -0.000 0.000 0.193 998 K C 0.081 176.684 176.600 0.006 0.000 1.024 998 K CA 0.082 56.371 56.287 0.004 0.000 1.077 998 K CB 0.486 32.990 32.500 0.007 0.000 0.833 998 K HN 0.073 nan 8.250 nan 0.000 0.517 999 I N 1.070 121.640 120.570 0.002 0.000 2.465 999 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 999 I C 0.036 176.147 176.117 -0.010 0.000 1.014 999 I CA -0.554 60.746 61.300 0.001 0.000 1.093 999 I CB 1.622 39.623 38.000 0.001 0.000 1.267 999 I HN -0.167 nan 8.210 nan 0.000 0.431 1000 T N 6.427 120.978 114.554 -0.006 0.000 2.879 1000 T HA 0.679 5.029 4.350 -0.000 0.000 0.290 1000 T C -0.805 173.889 174.700 -0.010 0.000 0.993 1000 T CA -0.582 61.509 62.100 -0.014 0.000 0.975 1000 T CB 1.022 69.887 68.868 -0.005 0.000 0.981 1000 T HN 0.426 nan 8.240 nan 0.000 0.439 1001 M N 4.198 123.775 119.600 -0.038 0.000 2.268 1001 M HA 0.377 4.857 4.480 -0.000 0.000 0.344 1001 M C 1.217 177.530 176.300 0.022 0.000 1.106 1001 M CA -0.628 54.656 55.300 -0.028 0.000 1.010 1001 M CB 2.093 34.575 32.600 -0.197 0.000 1.649 1001 M HN 0.930 nan 8.290 nan 0.000 0.443 1002 S N 3.680 119.435 115.700 0.093 0.000 2.440 1002 S HA 0.356 4.826 4.470 -0.000 0.000 0.194 1002 S C 0.356 175.044 174.600 0.146 0.000 0.952 1002 S CA -0.067 58.187 58.200 0.090 0.000 0.898 1002 S CB 0.300 63.538 63.200 0.064 0.000 0.875 1002 S HN 0.728 nan 8.310 nan 0.000 0.581 1003 R N 1.090 121.689 120.500 0.165 0.000 2.808 1003 R HA 0.603 4.943 4.340 -0.000 0.000 0.272 1003 R C -1.569 174.765 176.300 0.056 0.000 0.995 1003 R CA -0.823 55.357 56.100 0.133 0.000 0.917 1003 R CB 0.564 30.897 30.300 0.054 0.000 1.217 1003 R HN 0.393 nan 8.270 nan 0.000 0.471 1004 E N 1.945 122.063 120.200 -0.136 0.000 2.354 1004 E HA 0.143 4.493 4.350 -0.000 0.000 0.269 1004 E C -0.025 176.420 176.600 -0.260 0.000 1.036 1004 E CA -0.406 55.691 56.400 -0.505 0.000 0.876 1004 E CB 1.100 30.457 29.700 -0.571 0.000 1.009 1004 E HN 0.520 nan 8.360 nan 0.000 0.416 1005 L N 1.015 122.086 121.223 -0.253 0.000 2.515 1005 L HA 0.275 4.615 4.340 -0.000 0.000 0.223 1005 L C 0.989 177.788 176.870 -0.119 0.000 1.079 1005 L CA 0.416 55.179 54.840 -0.128 0.000 0.857 1005 L CB 0.264 42.279 42.059 -0.073 0.000 1.050 1005 L HN 0.825 nan 8.230 nan 0.000 0.476 1006 G N -0.493 108.209 108.800 -0.163 0.000 2.350 1006 G HA2 0.025 3.985 3.960 -0.000 0.000 0.282 1006 G HA3 0.025 3.985 3.960 -0.000 0.000 0.282 1006 G C -1.830 173.001 174.900 -0.114 0.000 1.314 1006 G CA -0.753 44.276 45.100 -0.119 0.000 0.915 1006 G HN -0.150 nan 8.290 nan 0.000 0.499 1007 Q N -0.116 119.636 119.800 -0.081 0.000 2.274 1007 Q HA 0.607 4.947 4.340 -0.000 0.000 0.256 1007 Q C 0.527 176.491 176.000 -0.060 0.000 0.927 1007 Q CA 0.703 56.463 55.803 -0.071 0.000 0.939 1007 Q CB 1.239 29.939 28.738 -0.064 0.000 1.201 1007 Q HN 1.077 nan 8.270 nan 0.000 0.426 1008 G N 0.684 109.453 108.800 -0.053 0.000 2.509 1008 G HA2 0.352 4.312 3.960 -0.000 0.000 0.328 1008 G HA3 0.352 4.312 3.960 -0.000 0.000 0.328 1008 G C 0.575 175.426 174.900 -0.082 0.000 1.194 1008 G CA -0.169 44.908 45.100 -0.039 0.000 0.967 1008 G HN 0.762 nan 8.290 nan 0.000 0.488 1009 S N -0.404 115.237 115.700 -0.099 0.000 2.372 1009 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 1009 S C 1.589 175.910 174.600 -0.465 0.000 1.044 1009 S CA 1.711 59.737 58.200 -0.290 0.000 1.050 1009 S CB -0.387 62.615 63.200 -0.329 0.000 0.901 1009 S HN 0.405 nan 8.310 nan 0.000 0.447 1010 F N 1.591 121.439 119.950 -0.169 0.000 2.720 1010 F HA 0.547 5.074 4.527 -0.000 0.000 0.301 1010 F C 1.449 177.085 175.800 -0.272 0.000 1.103 1010 F CA 0.078 57.915 58.000 -0.272 0.000 1.291 1010 F CB 0.837 39.511 39.000 -0.543 0.000 1.086 1010 F HN 0.535 nan 8.300 nan 0.000 0.592 1011 G N -0.402 108.354 108.800 -0.072 0.000 2.570 1011 G HA2 0.426 4.386 3.960 -0.000 0.000 0.310 1011 G HA3 0.426 4.386 3.960 -0.000 0.000 0.310 1011 G C -1.768 173.115 174.900 -0.027 0.000 1.266 1011 G CA -0.883 44.180 45.100 -0.061 0.000 0.825 1011 G HN -0.142 nan 8.290 nan 0.000 0.483 1012 M N 0.770 120.381 119.600 0.019 0.000 2.277 1012 M HA 0.673 5.153 4.480 -0.000 0.000 0.350 1012 M C -0.580 175.755 176.300 0.057 0.000 1.180 1012 M CA -0.393 54.915 55.300 0.013 0.000 1.103 1012 M CB 1.686 34.321 32.600 0.059 0.000 1.577 1012 M HN 0.282 nan 8.290 nan 0.000 0.459 1013 V N 5.616 125.503 119.914 -0.045 0.000 2.472 1013 V HA 0.437 4.556 4.120 -0.000 0.000 0.290 1013 V C -0.975 175.048 176.094 -0.119 0.000 1.037 1013 V CA -0.477 61.829 62.300 0.010 0.000 0.908 1013 V CB 1.118 32.938 31.823 -0.005 0.000 0.985 1013 V HN 0.791 nan 8.190 nan 0.000 0.454 1014 Y N 1.397 121.703 120.300 0.010 0.000 2.598 1014 Y HA 0.491 5.041 4.550 -0.000 0.000 0.340 1014 Y C 0.316 176.222 175.900 0.010 0.000 1.038 1014 Y CA -0.739 57.366 58.100 0.008 0.000 1.100 1014 Y CB 1.734 40.199 38.460 0.008 0.000 1.281 1014 Y HN 0.586 nan 8.280 nan 0.000 0.488 1015 E N 0.646 120.941 120.200 0.159 0.000 2.231 1015 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 1015 E C -0.631 176.036 176.600 0.112 0.000 0.999 1015 E CA -0.394 56.065 56.400 0.099 0.000 0.827 1015 E CB 1.254 30.987 29.700 0.055 0.000 1.101 1015 E HN 0.868 nan 8.360 nan 0.000 0.393 1016 G N 1.285 110.130 108.800 0.076 0.000 2.606 1016 G HA2 0.415 4.375 3.960 -0.000 0.000 0.300 1016 G HA3 0.415 4.375 3.960 -0.000 0.000 0.300 1016 G C -1.623 173.300 174.900 0.038 0.000 1.360 1016 G CA -0.500 44.634 45.100 0.057 0.000 0.783 1016 G HN 0.435 nan 8.290 nan 0.000 0.484 1017 V N 0.324 120.255 119.914 0.028 0.000 2.495 1017 V HA 0.727 4.847 4.120 -0.000 0.000 0.298 1017 V C 0.140 176.246 176.094 0.020 0.000 1.031 1017 V CA -0.357 61.956 62.300 0.022 0.000 0.871 1017 V CB 1.400 33.233 31.823 0.017 0.000 0.988 1017 V HN 1.311 nan 8.190 nan 0.000 0.432 1018 A N 5.073 127.906 122.820 0.021 0.000 2.273 1018 A HA 0.576 4.895 4.320 -0.000 0.000 0.315 1018 A C -0.176 177.418 177.584 0.018 0.000 1.256 1018 A CA -0.642 51.408 52.037 0.021 0.000 0.851 1018 A CB 0.474 19.491 19.000 0.029 0.000 1.172 1018 A HN 0.765 nan 8.150 nan 0.000 0.508 1019 K N 1.751 122.159 120.400 0.013 0.000 2.379 1019 K HA 0.331 4.651 4.320 -0.000 0.000 0.284 1019 K C 1.064 177.670 176.600 0.010 0.000 1.044 1019 K CA 1.018 57.311 56.287 0.010 0.000 0.974 1019 K CB 0.326 32.830 32.500 0.007 0.000 0.962 1019 K HN 1.404 nan 8.250 nan 0.000 0.474 1020 G N 2.647 111.452 108.800 0.009 0.000 2.395 1020 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.292 1020 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.292 1020 G C 0.440 175.346 174.900 0.009 0.000 0.953 1020 G CA 0.633 45.736 45.100 0.006 0.000 1.207 1020 G HN 0.533 nan 8.290 nan 0.000 0.503 1021 V N -3.340 116.584 119.914 0.016 0.000 3.212 1021 V HA 0.421 4.541 4.120 -0.000 0.000 0.244 1021 V C 1.169 177.279 176.094 0.025 0.000 1.151 1021 V CA 0.731 63.046 62.300 0.024 0.000 1.119 1021 V CB 0.340 32.186 31.823 0.038 0.000 0.838 1021 V HN 0.354 nan 8.190 nan 0.000 0.470 1022 V N 1.914 121.842 119.914 0.023 0.000 2.472 1022 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 1022 V C 0.112 176.214 176.094 0.013 0.000 1.037 1022 V CA -0.939 61.375 62.300 0.023 0.000 0.908 1022 V CB 1.271 33.109 31.823 0.026 0.000 0.985 1022 V HN 0.353 nan 8.190 nan 0.000 0.454 1023 K N 3.314 123.720 120.400 0.010 0.000 2.511 1023 K HA 0.112 4.432 4.320 -0.000 0.000 0.280 1023 K C 0.453 177.056 176.600 0.005 0.000 1.008 1023 K CA 0.685 56.974 56.287 0.003 0.000 1.050 1023 K CB -0.162 32.338 32.500 0.000 0.000 0.889 1023 K HN 0.764 nan 8.250 nan 0.000 0.484 1024 D N 0.626 121.027 120.400 0.002 0.000 2.792 1024 D HA -0.179 4.461 4.640 -0.000 0.000 0.192 1024 D C -0.887 175.416 176.300 0.005 0.000 1.007 1024 D CA 1.425 55.427 54.000 0.003 0.000 1.020 1024 D CB -0.752 40.050 40.800 0.003 0.000 1.089 1024 D HN 0.739 nan 8.370 nan 0.000 0.438 1025 E N 0.104 120.309 120.200 0.007 0.000 2.092 1025 E HA 0.301 4.651 4.350 -0.000 0.000 0.271 1025 E C -1.906 174.699 176.600 0.008 0.000 0.919 1025 E CA -1.766 54.640 56.400 0.009 0.000 0.760 1025 E CB 1.673 31.381 29.700 0.013 0.000 1.106 1025 E HN -0.011 nan 8.360 nan 0.000 0.408 1026 P HA -0.165 nan 4.420 nan 0.000 0.216 1026 P C -0.262 177.043 177.300 0.008 0.000 1.150 1026 P CA 1.397 64.501 63.100 0.006 0.000 0.837 1026 P CB 0.406 32.109 31.700 0.005 0.000 0.786 1027 E N -2.126 118.080 120.200 0.010 0.000 2.359 1027 E HA 0.556 4.906 4.350 -0.000 0.000 0.266 1027 E C -0.865 175.744 176.600 0.015 0.000 0.920 1027 E CA -0.651 55.757 56.400 0.012 0.000 0.788 1027 E CB 2.194 31.901 29.700 0.011 0.000 1.279 1027 E HN -0.261 nan 8.360 nan 0.000 0.438 1028 T N 1.022 115.586 114.554 0.017 0.000 3.097 1028 T HA 0.284 4.634 4.350 -0.000 0.000 0.332 1028 T C -0.827 173.885 174.700 0.020 0.000 1.269 1028 T CA -0.856 61.256 62.100 0.019 0.000 1.076 1028 T CB 1.179 70.060 68.868 0.022 0.000 1.209 1028 T HN 0.270 nan 8.240 nan 0.000 0.474 1029 R N 1.803 122.314 120.500 0.018 0.000 2.316 1029 R HA 0.580 4.920 4.340 -0.000 0.000 0.314 1029 R C 0.174 176.487 176.300 0.022 0.000 1.069 1029 R CA -0.476 55.635 56.100 0.019 0.000 0.959 1029 R CB 0.495 30.803 30.300 0.012 0.000 0.987 1029 R HN 0.525 nan 8.270 nan 0.000 0.446 1030 V N -0.808 119.123 119.914 0.029 0.000 3.141 1030 V HA 0.884 5.004 4.120 -0.000 0.000 0.312 1030 V C -0.430 175.690 176.094 0.044 0.000 1.157 1030 V CA -1.334 60.986 62.300 0.035 0.000 1.041 1030 V CB 1.992 33.839 31.823 0.040 0.000 1.071 1030 V HN 0.755 nan 8.190 nan 0.000 0.441 1031 A N 2.224 125.072 122.820 0.047 0.000 2.305 1031 A HA 0.910 5.230 4.320 -0.000 0.000 0.322 1031 A C -0.562 177.071 177.584 0.081 0.000 1.187 1031 A CA -0.639 51.436 52.037 0.062 0.000 0.825 1031 A CB 0.392 19.422 19.000 0.050 0.000 1.164 1031 A HN 0.898 nan 8.150 nan 0.000 0.498 1032 I N 1.640 122.277 120.570 0.112 0.000 2.478 1032 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 1032 I C -0.198 176.017 176.117 0.164 0.000 1.042 1032 I CA -0.468 60.904 61.300 0.121 0.000 1.067 1032 I CB 2.156 40.216 38.000 0.099 0.000 1.233 1032 I HN 0.698 nan 8.210 nan 0.000 0.431 1033 K N 4.687 125.177 120.400 0.150 0.000 2.235 1033 K HA 0.512 4.832 4.320 -0.000 0.000 0.266 1033 K C -0.278 176.388 176.600 0.111 0.000 0.980 1033 K CA -0.382 55.993 56.287 0.147 0.000 0.849 1033 K CB 1.313 33.909 32.500 0.160 0.000 1.098 1033 K HN 0.698 nan 8.250 nan 0.000 0.445 1034 T N 0.338 114.949 114.554 0.095 0.000 2.795 1034 T HA 0.430 4.780 4.350 -0.000 0.000 0.282 1034 T C -0.435 174.238 174.700 -0.045 0.000 0.980 1034 T CA -0.790 61.329 62.100 0.032 0.000 1.012 1034 T CB 1.146 70.033 68.868 0.032 0.000 0.936 1034 T HN 0.179 nan 8.240 nan 0.000 0.457 1035 V N 5.727 125.593 119.914 -0.080 0.000 2.350 1035 V HA 0.313 4.433 4.120 -0.000 0.000 0.285 1035 V C 1.591 177.653 176.094 -0.053 0.000 1.014 1035 V CA -0.894 61.328 62.300 -0.130 0.000 0.831 1035 V CB 0.732 32.406 31.823 -0.250 0.000 1.000 1035 V HN 1.065 nan 8.190 nan 0.000 0.433 1036 N N 3.784 122.462 118.700 -0.036 0.000 2.207 1036 N HA -0.112 4.628 4.740 -0.000 0.000 0.182 1036 N C 1.034 176.538 175.510 -0.011 0.000 1.020 1036 N CA 1.371 54.411 53.050 -0.016 0.000 0.858 1036 N CB 0.622 39.105 38.487 -0.006 0.000 0.991 1036 N HN 0.753 nan 8.380 nan 0.000 0.427 1037 E N -1.111 119.083 120.200 -0.010 0.000 1.739 1037 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 1037 E C 0.735 177.336 176.600 0.000 0.000 0.719 1037 E CA 0.674 57.072 56.400 -0.002 0.000 1.551 1037 E CB -1.544 28.156 29.700 0.001 0.000 4.431 1037 E HN 0.264 nan 8.360 nan 0.000 0.638 1038 A N 1.719 124.538 122.820 -0.001 0.000 2.248 1038 A HA 0.440 4.760 4.320 -0.000 0.000 0.210 1038 A C 1.101 178.685 177.584 0.001 0.000 1.174 1038 A CA 1.194 53.232 52.037 0.001 0.000 0.750 1038 A CB -0.473 18.527 19.000 -0.000 0.000 0.780 1038 A HN 0.348 nan 8.150 nan 0.000 0.478 1039 A N 1.046 123.865 122.820 -0.002 0.000 2.409 1039 A HA 0.511 4.831 4.320 -0.000 0.000 0.262 1039 A C 0.888 178.476 177.584 0.007 0.000 1.113 1039 A CA 0.160 52.198 52.037 0.002 0.000 0.790 1039 A CB -0.096 18.898 19.000 -0.010 0.000 1.046 1039 A HN 0.932 nan 8.150 nan 0.000 0.496 1040 S N 2.921 118.629 115.700 0.015 0.000 2.563 1040 S HA 0.052 4.522 4.470 -0.000 0.000 0.284 1040 S C 1.110 175.713 174.600 0.005 0.000 1.331 1040 S CA 0.349 58.557 58.200 0.014 0.000 1.047 1040 S CB 0.141 63.352 63.200 0.019 0.000 0.859 1040 S HN 0.887 nan 8.310 nan 0.000 0.514 1041 M N 1.259 120.861 119.600 0.002 0.000 2.279 1041 M HA -0.127 4.352 4.480 -0.000 0.000 0.264 1041 M C 2.337 178.613 176.300 -0.040 0.000 1.062 1041 M CA 1.416 56.708 55.300 -0.015 0.000 1.099 1041 M CB -0.167 32.438 32.600 0.007 0.000 1.394 1041 M HN 0.852 nan 8.290 nan 0.000 0.426 1042 R N 0.121 120.612 120.500 -0.014 0.000 2.073 1042 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 1042 R C 1.950 178.246 176.300 -0.006 0.000 1.134 1042 R CA 1.736 57.827 56.100 -0.015 0.000 0.952 1042 R CB -0.182 30.124 30.300 0.011 0.000 0.850 1042 R HN 0.421 nan 8.270 nan 0.000 0.433 1043 E N 0.170 120.391 120.200 0.036 0.000 2.110 1043 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 1043 E C 1.964 178.575 176.600 0.019 0.000 0.988 1043 E CA 0.928 57.398 56.400 0.117 0.000 0.804 1043 E CB -0.185 29.613 29.700 0.163 0.000 0.745 1043 E HN 0.312 nan 8.360 nan 0.000 0.458 1044 R N 0.494 120.973 120.500 -0.036 0.000 2.115 1044 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 1044 R C 2.368 178.578 176.300 -0.150 0.000 1.100 1044 R CA 0.614 56.681 56.100 -0.055 0.000 0.980 1044 R CB -0.071 30.208 30.300 -0.035 0.000 0.875 1044 R HN 0.110 nan 8.270 nan 0.000 0.445 1045 I N 0.603 121.021 120.570 -0.253 0.000 2.193 1045 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 1045 I C 2.522 178.433 176.117 -0.342 0.000 1.084 1045 I CA 1.349 62.364 61.300 -0.475 0.000 1.365 1045 I CB -0.408 37.248 38.000 -0.573 0.000 1.064 1045 I HN 0.332 nan 8.210 nan 0.000 0.410 1046 E N 0.953 121.033 120.200 -0.199 0.000 2.118 1046 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 1046 E C 2.178 178.641 176.600 -0.228 0.000 0.992 1046 E CA 1.523 57.855 56.400 -0.113 0.000 0.804 1046 E CB -0.109 29.627 29.700 0.058 0.000 0.741 1046 E HN 0.437 nan 8.360 nan 0.000 0.458 1047 F N 0.786 120.329 119.950 -0.678 0.000 2.128 1047 F HA -0.126 4.401 4.527 -0.000 0.000 0.295 1047 F C 1.827 177.301 175.800 -0.544 0.000 1.100 1047 F CA 0.798 58.137 58.000 -1.101 0.000 1.260 1047 F CB -0.351 37.792 39.000 -1.429 0.000 1.009 1047 F HN 0.040 nan 8.300 nan 0.000 0.476 1048 L N 0.861 121.702 121.223 -0.637 0.000 2.141 1048 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 1048 L C 2.004 178.619 176.870 -0.426 0.000 1.094 1048 L CA 1.619 56.100 54.840 -0.598 0.000 0.763 1048 L CB -1.535 40.309 42.059 -0.358 0.000 0.908 1048 L HN 0.262 nan 8.230 nan 0.000 0.437 1049 N N -1.165 117.343 118.700 -0.321 0.000 2.300 1049 N HA -0.168 4.572 4.740 -0.000 0.000 0.179 1049 N C 1.676 177.056 175.510 -0.217 0.000 1.016 1049 N CA 0.563 53.489 53.050 -0.207 0.000 0.876 1049 N CB 0.150 38.563 38.487 -0.123 0.000 0.979 1049 N HN 0.406 nan 8.380 nan 0.000 0.432 1050 E N 1.150 121.213 120.200 -0.228 0.000 2.110 1050 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 1050 E C 1.797 178.244 176.600 -0.256 0.000 0.988 1050 E CA 1.012 57.312 56.400 -0.165 0.000 0.804 1050 E CB 0.023 29.695 29.700 -0.046 0.000 0.745 1050 E HN 0.340 nan 8.360 nan 0.000 0.458 1051 A N 0.028 122.607 122.820 -0.401 0.000 2.066 1051 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 1051 A C 2.221 179.510 177.584 -0.491 0.000 1.157 1051 A CA 1.117 52.884 52.037 -0.450 0.000 0.670 1051 A CB -0.164 18.488 19.000 -0.579 0.000 0.804 1051 A HN 0.205 nan 8.150 nan 0.000 0.453 1052 S N -0.514 114.932 115.700 -0.424 0.000 2.481 1052 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 1052 S C 1.746 176.090 174.600 -0.426 0.000 0.996 1052 S CA 1.141 59.101 58.200 -0.399 0.000 0.942 1052 S CB -0.180 62.873 63.200 -0.245 0.000 0.768 1052 S HN 0.402 nan 8.310 nan 0.000 0.520 1053 V N 1.847 121.490 119.914 -0.451 0.000 2.346 1053 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 1053 V C 2.372 177.812 176.094 -1.090 0.000 1.037 1053 V CA 1.082 63.013 62.300 -0.616 0.000 1.029 1053 V CB -0.639 30.894 31.823 -0.482 0.000 0.663 1053 V HN 0.431 nan 8.190 nan 0.000 0.454 1054 M N 0.855 119.913 119.600 -0.904 0.000 2.308 1054 M HA -0.349 4.131 4.480 -0.000 0.000 0.257 1054 M C 2.635 178.423 176.300 -0.853 0.000 1.070 1054 M CA 3.199 57.972 55.300 -0.879 0.000 1.080 1054 M CB -1.550 30.757 32.600 -0.489 0.000 1.274 1054 M HN 0.520 nan 8.290 nan 0.000 0.434 1055 K N 0.448 120.379 120.400 -0.782 0.000 2.081 1055 K HA -0.315 4.005 4.320 -0.000 0.000 0.222 1055 K C 1.711 178.111 176.600 -0.334 0.000 1.055 1055 K CA 2.793 58.615 56.287 -0.776 0.000 0.954 1055 K CB -1.833 30.165 32.500 -0.837 0.000 0.732 1055 K HN 0.618 nan 8.250 nan 0.000 0.458 1056 E N -0.653 119.309 120.200 -0.396 0.000 2.068 1056 E HA -0.137 4.213 4.350 -0.000 0.000 0.207 1056 E C 0.282 176.887 176.600 0.008 0.000 1.032 1056 E CA 1.482 57.758 56.400 -0.206 0.000 0.839 1056 E CB -0.408 29.097 29.700 -0.325 0.000 0.758 1056 E HN 0.588 nan 8.360 nan 0.000 0.457 1057 F N 0.799 120.694 119.950 -0.091 0.000 2.543 1057 F HA 0.193 4.720 4.527 -0.000 0.000 0.375 1057 F C 0.413 176.258 175.800 0.074 0.000 1.075 1057 F CA -0.110 57.945 58.000 0.090 0.000 1.225 1057 F CB -0.220 38.753 39.000 -0.045 0.000 1.099 1057 F HN 0.049 nan 8.300 nan 0.000 0.561 1058 N N 2.508 121.377 118.700 0.281 0.000 2.750 1058 N HA 0.373 5.113 4.740 -0.000 0.000 0.253 1058 N C -1.754 173.630 175.510 -0.209 0.000 1.408 1058 N CA -0.207 52.880 53.050 0.062 0.000 0.780 1058 N CB 0.477 39.035 38.487 0.118 0.000 1.191 1058 N HN 0.710 nan 8.380 nan 0.000 0.511 1059 C N 1.817 120.888 119.300 -0.381 0.000 2.634 1059 C HA 0.382 4.842 4.460 -0.000 0.000 0.313 1059 C C 1.587 176.431 174.990 -0.244 0.000 1.198 1059 C CA -0.426 58.245 59.018 -0.578 0.000 1.605 1059 C CB 0.936 27.954 27.740 -1.203 0.000 2.196 1059 C HN 0.891 nan 8.230 nan 0.000 0.486 1060 H N 0.933 119.815 119.070 -0.313 0.000 2.521 1060 H HA 0.029 4.585 4.556 -0.000 0.000 0.286 1060 H C 0.973 176.081 175.328 -0.367 0.000 1.034 1060 H CA 2.067 57.908 56.048 -0.345 0.000 1.278 1060 H CB -0.087 29.404 29.762 -0.453 0.000 1.386 1060 H HN 0.861 nan 8.280 nan 0.000 0.567 1061 H N -1.313 117.719 119.070 -0.064 0.000 2.528 1061 H HA 0.343 4.899 4.556 -0.000 0.000 0.282 1061 H C -0.738 174.575 175.328 -0.025 0.000 1.097 1061 H CA -0.226 55.793 56.048 -0.047 0.000 1.121 1061 H CB 0.842 30.642 29.762 0.064 0.000 1.590 1061 H HN 0.012 nan 8.280 nan 0.000 0.553 1062 V N 1.635 121.571 119.914 0.037 0.000 2.531 1062 V HA 0.140 4.259 4.120 -0.000 0.000 0.301 1062 V C 0.097 176.251 176.094 0.100 0.000 1.034 1062 V CA -1.220 61.157 62.300 0.128 0.000 0.865 1062 V CB 2.161 34.094 31.823 0.183 0.000 0.995 1062 V HN 0.004 nan 8.190 nan 0.000 0.424 1063 V N 4.581 124.574 119.914 0.130 0.000 2.509 1063 V HA 0.108 4.228 4.120 -0.000 0.000 0.297 1063 V C 0.669 176.827 176.094 0.107 0.000 1.014 1063 V CA 0.182 62.534 62.300 0.086 0.000 1.127 1063 V CB -0.286 31.585 31.823 0.080 0.000 0.925 1063 V HN 0.860 nan 8.190 nan 0.000 0.480 1064 R N 4.054 124.586 120.500 0.052 0.000 2.368 1064 R HA 0.531 4.871 4.340 -0.000 0.000 0.302 1064 R C -0.544 175.768 176.300 0.020 0.000 1.002 1064 R CA -0.853 55.272 56.100 0.042 0.000 0.929 1064 R CB 1.158 31.480 30.300 0.036 0.000 1.073 1064 R HN 0.767 nan 8.270 nan 0.000 0.464 1065 L N 5.638 126.842 121.223 -0.033 0.000 2.319 1065 L HA 0.158 4.498 4.340 -0.000 0.000 0.280 1065 L C 0.290 177.166 176.870 0.011 0.000 1.099 1065 L CA 0.021 54.811 54.840 -0.083 0.000 0.828 1065 L CB 0.689 42.581 42.059 -0.278 0.000 1.150 1065 L HN 0.798 nan 8.230 nan 0.000 0.442 1066 L N 5.105 126.361 121.223 0.055 0.000 2.616 1066 L HA 0.458 4.798 4.340 -0.000 0.000 0.229 1066 L C 0.775 177.763 176.870 0.197 0.000 1.110 1066 L CA 0.373 55.291 54.840 0.130 0.000 0.884 1066 L CB -0.062 42.046 42.059 0.083 0.000 1.115 1066 L HN 0.887 nan 8.230 nan 0.000 0.481 1067 G N -0.200 108.699 108.800 0.167 0.000 2.359 1067 G HA2 0.215 4.175 3.960 -0.000 0.000 0.314 1067 G HA3 0.215 4.175 3.960 -0.000 0.000 0.314 1067 G C -1.920 173.030 174.900 0.084 0.000 1.364 1067 G CA -0.114 45.113 45.100 0.212 0.000 0.978 1067 G HN -0.110 nan 8.290 nan 0.000 0.615 1068 V N -0.712 119.257 119.914 0.093 0.000 2.777 1068 V HA 0.736 4.856 4.120 -0.000 0.000 0.306 1068 V C -0.613 175.510 176.094 0.049 0.000 1.112 1068 V CA -0.725 61.599 62.300 0.039 0.000 0.917 1068 V CB 1.722 33.528 31.823 -0.029 0.000 1.018 1068 V HN 1.355 nan 8.190 nan 0.000 0.426 1069 V N 6.707 126.644 119.914 0.039 0.000 2.427 1069 V HA 0.360 4.480 4.120 -0.000 0.000 0.268 1069 V C 1.276 177.382 176.094 0.020 0.000 1.046 1069 V CA 0.857 63.174 62.300 0.028 0.000 0.970 1069 V CB 0.882 32.718 31.823 0.021 0.000 1.001 1069 V HN 1.162 nan 8.190 nan 0.000 0.476 1070 S N 3.059 118.765 115.700 0.011 0.000 2.526 1070 S HA 0.165 4.635 4.470 -0.000 0.000 0.220 1070 S C 0.545 175.134 174.600 -0.019 0.000 1.017 1070 S CA -0.416 57.781 58.200 -0.006 0.000 0.930 1070 S CB 0.336 63.528 63.200 -0.013 0.000 0.856 1070 S HN 0.638 nan 8.310 nan 0.000 0.497 1071 Q N 2.108 121.903 119.800 -0.007 0.000 2.503 1071 Q HA 0.691 5.031 4.340 -0.000 0.000 0.227 1071 Q C 0.275 176.274 176.000 -0.001 0.000 1.109 1071 Q CA 0.141 55.941 55.803 -0.005 0.000 0.922 1071 Q CB 0.530 29.270 28.738 0.004 0.000 1.249 1071 Q HN 0.616 nan 8.270 nan 0.000 0.530 1072 G N 1.056 109.855 108.800 -0.003 0.000 2.343 1072 G HA2 0.038 3.998 3.960 -0.000 0.000 0.289 1072 G HA3 0.038 3.998 3.960 -0.000 0.000 0.289 1072 G C -0.310 174.589 174.900 -0.002 0.000 1.295 1072 G CA -0.526 44.574 45.100 -0.000 0.000 0.869 1072 G HN 0.237 nan 8.290 nan 0.000 0.522 1073 Q N -0.022 119.777 119.800 -0.002 0.000 1.984 1073 Q HA 0.202 4.542 4.340 -0.000 0.000 0.196 1073 Q C -1.470 174.527 176.000 -0.005 0.000 0.975 1073 Q CA 1.763 57.565 55.803 -0.002 0.000 0.827 1073 Q CB -0.625 28.111 28.738 -0.003 0.000 0.894 1073 Q HN 0.514 nan 8.270 nan 0.000 0.438 1074 P HA 0.122 nan 4.420 nan 0.000 0.286 1074 P C -1.028 176.274 177.300 0.003 0.000 1.321 1074 P CA 0.054 63.148 63.100 -0.010 0.000 0.790 1074 P CB 0.927 32.612 31.700 -0.025 0.000 0.897 1075 T N 4.906 119.471 114.554 0.018 0.000 2.871 1075 T HA 0.109 4.459 4.350 -0.000 0.000 0.296 1075 T C 0.558 175.302 174.700 0.073 0.000 0.998 1075 T CA 0.429 62.561 62.100 0.052 0.000 1.162 1075 T CB -0.091 68.837 68.868 0.100 0.000 0.947 1075 T HN 0.239 nan 8.240 nan 0.000 0.536 1076 L N 3.597 124.861 121.223 0.069 0.000 2.317 1076 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 1076 L C -0.360 176.573 176.870 0.104 0.000 1.024 1076 L CA -1.119 53.767 54.840 0.078 0.000 0.810 1076 L CB 1.762 43.844 42.059 0.039 0.000 1.240 1076 L HN 0.315 nan 8.230 nan 0.000 0.427 1077 V N 4.086 124.085 119.914 0.143 0.000 2.444 1077 V HA 0.389 4.509 4.120 -0.000 0.000 0.294 1077 V C -0.204 175.939 176.094 0.082 0.000 1.022 1077 V CA -0.400 61.962 62.300 0.102 0.000 0.850 1077 V CB 2.015 33.927 31.823 0.148 0.000 0.992 1077 V HN 0.454 nan 8.190 nan 0.000 0.426 1078 I N 6.456 127.056 120.570 0.050 0.000 2.304 1078 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 1078 I C 0.150 176.290 176.117 0.039 0.000 1.018 1078 I CA 0.289 61.620 61.300 0.051 0.000 1.260 1078 I CB 0.992 39.023 38.000 0.052 0.000 1.390 1078 I HN 0.388 nan 8.210 nan 0.000 0.475 1079 M N 4.516 124.143 119.600 0.045 0.000 2.644 1079 M HA 0.348 4.828 4.480 -0.000 0.000 0.316 1079 M C 0.158 176.480 176.300 0.036 0.000 1.200 1079 M CA -0.760 54.562 55.300 0.036 0.000 0.944 1079 M CB 1.605 34.231 32.600 0.044 0.000 1.691 1079 M HN 0.571 nan 8.290 nan 0.000 0.471 1080 E N 1.821 122.040 120.200 0.030 0.000 2.442 1080 E HA 0.076 4.426 4.350 -0.000 0.000 0.262 1080 E C -1.291 175.319 176.600 0.015 0.000 1.004 1080 E CA -0.096 56.317 56.400 0.022 0.000 0.928 1080 E CB 0.730 30.438 29.700 0.014 0.000 0.937 1080 E HN 0.589 nan 8.360 nan 0.000 0.446 1081 L N 5.143 126.371 121.223 0.009 0.000 2.290 1081 L HA 0.178 4.518 4.340 -0.000 0.000 0.284 1081 L C -0.386 176.473 176.870 -0.018 0.000 1.078 1081 L CA -0.481 54.360 54.840 0.002 0.000 0.815 1081 L CB 0.844 42.906 42.059 0.004 0.000 1.162 1081 L HN 0.740 nan 8.230 nan 0.000 0.435 1082 M N 4.587 124.173 119.600 -0.024 0.000 2.480 1082 M HA 0.130 4.610 4.480 -0.000 0.000 0.320 1082 M C 1.275 177.538 176.300 -0.061 0.000 1.141 1082 M CA -0.350 54.921 55.300 -0.048 0.000 1.102 1082 M CB 0.452 33.027 32.600 -0.042 0.000 1.249 1082 M HN 0.613 nan 8.290 nan 0.000 0.446 1083 T N -0.842 113.666 114.554 -0.077 0.000 2.869 1083 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 1083 T C 1.471 176.120 174.700 -0.086 0.000 1.082 1083 T CA 1.266 63.321 62.100 -0.075 0.000 1.123 1083 T CB -0.062 68.754 68.868 -0.086 0.000 0.856 1083 T HN 0.577 nan 8.240 nan 0.000 0.499 1084 R N 0.902 121.326 120.500 -0.126 0.000 2.334 1084 R HA 0.441 4.781 4.340 -0.000 0.000 0.216 1084 R C 1.556 177.835 176.300 -0.036 0.000 0.905 1084 R CA 0.221 56.254 56.100 -0.112 0.000 1.064 1084 R CB 0.046 30.185 30.300 -0.269 0.000 1.046 1084 R HN 0.596 nan 8.270 nan 0.000 0.508 1085 G N 2.058 110.837 108.800 -0.035 0.000 2.593 1085 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.237 1085 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.237 1085 G C -0.837 174.064 174.900 0.002 0.000 1.312 1085 G CA -0.119 44.978 45.100 -0.004 0.000 0.896 1085 G HN 0.509 nan 8.290 nan 0.000 0.574 1086 D N -0.499 119.916 120.400 0.026 0.000 2.304 1086 D HA 0.446 5.086 4.640 -0.000 0.000 0.247 1086 D C 1.527 177.874 176.300 0.078 0.000 1.089 1086 D CA -0.264 53.754 54.000 0.029 0.000 0.910 1086 D CB 1.176 41.987 40.800 0.018 0.000 1.199 1086 D HN 0.718 nan 8.370 nan 0.000 0.426 1087 L N 1.783 123.048 121.223 0.071 0.000 2.127 1087 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 1087 L C 2.033 179.005 176.870 0.170 0.000 1.089 1087 L CA 1.758 56.678 54.840 0.132 0.000 0.757 1087 L CB -0.659 41.455 42.059 0.091 0.000 0.899 1087 L HN 0.650 nan 8.230 nan 0.000 0.434 1088 K N -1.214 119.254 120.400 0.115 0.000 2.025 1088 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 1088 K C 2.084 178.744 176.600 0.099 0.000 1.049 1088 K CA 1.558 57.910 56.287 0.108 0.000 0.933 1088 K CB -0.072 32.480 32.500 0.086 0.000 0.714 1088 K HN 0.363 nan 8.250 nan 0.000 0.438 1089 S N 0.267 116.023 115.700 0.094 0.000 2.368 1089 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 1089 S C 1.658 176.314 174.600 0.093 0.000 1.030 1089 S CA 1.263 59.509 58.200 0.077 0.000 0.999 1089 S CB -0.496 62.744 63.200 0.067 0.000 0.844 1089 S HN 0.428 nan 8.310 nan 0.000 0.459 1090 Y N 2.432 122.749 120.300 0.029 0.000 2.128 1090 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 1090 Y C 1.841 177.768 175.900 0.045 0.000 1.154 1090 Y CA 1.408 59.533 58.100 0.042 0.000 1.149 1090 Y CB -0.508 37.983 38.460 0.053 0.000 0.976 1090 Y HN 0.143 nan 8.280 nan 0.000 0.505 1091 L N -0.211 121.014 121.223 0.003 0.000 2.191 1091 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 1091 L C 2.561 179.360 176.870 -0.118 0.000 1.103 1091 L CA 0.963 55.750 54.840 -0.087 0.000 0.769 1091 L CB -0.496 41.584 42.059 0.036 0.000 0.908 1091 L HN 0.168 nan 8.230 nan 0.000 0.438 1092 R N 0.021 120.480 120.500 -0.067 0.000 2.090 1092 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 1092 R C 2.508 178.755 176.300 -0.088 0.000 1.110 1092 R CA 1.514 57.581 56.100 -0.055 0.000 0.973 1092 R CB -0.783 29.510 30.300 -0.011 0.000 0.869 1092 R HN 0.467 nan 8.270 nan 0.000 0.440 1093 S N 0.576 116.203 115.700 -0.121 0.000 2.547 1093 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 1093 S C 1.835 176.339 174.600 -0.160 0.000 0.980 1093 S CA 0.602 58.731 58.200 -0.119 0.000 0.941 1093 S CB -0.307 62.833 63.200 -0.099 0.000 0.763 1093 S HN 0.224 nan 8.310 nan 0.000 0.532 1094 L N 0.517 121.609 121.223 -0.219 0.000 2.591 1094 L HA 0.204 4.544 4.340 -0.000 0.000 0.228 1094 L C 1.003 177.802 176.870 -0.119 0.000 1.133 1094 L CA -0.028 54.697 54.840 -0.192 0.000 0.880 1094 L CB -0.207 41.709 42.059 -0.240 0.000 1.033 1094 L HN 0.240 nan 8.230 nan 0.000 0.450 1095 R N 1.023 121.466 120.500 -0.096 0.000 2.560 1095 R HA 0.305 4.645 4.340 -0.000 0.000 0.270 1095 R C -1.751 174.516 176.300 -0.056 0.000 1.074 1095 R CA -1.483 54.575 56.100 -0.070 0.000 1.140 1095 R CB -0.367 29.898 30.300 -0.057 0.000 1.073 1095 R HN -0.047 nan 8.270 nan 0.000 0.527 1108 S N -0.362 115.312 115.700 -0.042 0.000 2.652 1108 S HA 0.351 4.821 4.470 -0.000 0.000 0.267 1108 S C 1.003 175.582 174.600 -0.036 0.000 1.201 1108 S CA -0.878 57.298 58.200 -0.039 0.000 0.996 1108 S CB 0.456 63.633 63.200 -0.038 0.000 1.054 1108 S HN 0.591 nan 8.310 nan 0.000 0.561 1109 L N 0.333 121.536 121.223 -0.033 0.000 2.109 1109 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 1109 L C 2.563 179.414 176.870 -0.031 0.000 1.086 1109 L CA 1.489 56.310 54.840 -0.032 0.000 0.760 1109 L CB -0.684 41.358 42.059 -0.028 0.000 0.910 1109 L HN 0.906 nan 8.230 nan 0.000 0.437 1110 S N -0.490 115.193 115.700 -0.030 0.000 2.383 1110 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 1110 S C 1.943 176.526 174.600 -0.028 0.000 1.026 1110 S CA 0.912 59.095 58.200 -0.029 0.000 0.981 1110 S CB 0.051 63.236 63.200 -0.026 0.000 0.818 1110 S HN 0.307 nan 8.310 nan 0.000 0.472 1111 K N 1.078 121.461 120.400 -0.028 0.000 2.026 1111 K HA 0.031 4.351 4.320 -0.000 0.000 0.208 1111 K C 2.082 178.676 176.600 -0.009 0.000 1.048 1111 K CA 1.346 57.620 56.287 -0.021 0.000 0.929 1111 K CB -0.632 31.851 32.500 -0.028 0.000 0.713 1111 K HN 0.467 nan 8.250 nan 0.000 0.439 1112 M N 0.283 119.873 119.600 -0.015 0.000 2.175 1112 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 1112 M C 1.997 178.284 176.300 -0.022 0.000 1.063 1112 M CA 1.050 56.341 55.300 -0.015 0.000 1.119 1112 M CB -0.236 32.346 32.600 -0.029 0.000 1.377 1112 M HN -0.018 nan 8.290 nan 0.000 0.415 1113 I N 0.309 120.860 120.570 -0.032 0.000 2.286 1113 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 1113 I C 2.457 178.539 176.117 -0.057 0.000 1.115 1113 I CA 1.603 62.877 61.300 -0.044 0.000 1.392 1113 I CB -1.258 36.710 38.000 -0.055 0.000 1.065 1113 I HN 0.352 nan 8.210 nan 0.000 0.418 1114 Q N 0.884 120.656 119.800 -0.047 0.000 2.061 1114 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 1114 Q C 2.282 178.266 176.000 -0.027 0.000 0.984 1114 Q CA 1.877 57.652 55.803 -0.046 0.000 0.846 1114 Q CB -0.230 28.505 28.738 -0.005 0.000 0.902 1114 Q HN 0.450 nan 8.270 nan 0.000 0.421 1115 M N -0.924 118.678 119.600 0.004 0.000 2.132 1115 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 1115 M C 2.174 178.496 176.300 0.036 0.000 1.065 1115 M CA 1.421 56.735 55.300 0.023 0.000 1.122 1115 M CB -0.435 32.187 32.600 0.037 0.000 1.365 1115 M HN 0.302 nan 8.290 nan 0.000 0.411 1116 A N 0.778 123.620 122.820 0.037 0.000 1.883 1116 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 1116 A C 2.374 180.070 177.584 0.187 0.000 1.186 1116 A CA 2.099 54.221 52.037 0.141 0.000 0.624 1116 A CB -1.607 17.450 19.000 0.095 0.000 0.822 1116 A HN 0.553 nan 8.150 nan 0.000 0.444 1117 G N -0.902 107.896 108.800 -0.003 0.000 2.422 1117 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 1117 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 1117 G C 1.440 176.268 174.900 -0.119 0.000 1.140 1117 G CA 0.949 45.974 45.100 -0.126 0.000 0.775 1117 G HN 0.658 nan 8.290 nan 0.000 0.545 1118 E N -0.070 120.041 120.200 -0.149 0.000 2.072 1118 E HA 0.014 4.364 4.350 -0.000 0.000 0.190 1118 E C 2.471 178.951 176.600 -0.201 0.000 0.982 1118 E CA 0.368 56.545 56.400 -0.371 0.000 0.803 1118 E CB -0.089 29.456 29.700 -0.259 0.000 0.755 1118 E HN 0.429 nan 8.360 nan 0.000 0.453 1119 I N 1.173 121.743 120.570 -0.001 0.000 2.226 1119 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 1119 I C 2.521 178.632 176.117 -0.011 0.000 1.100 1119 I CA 0.956 62.309 61.300 0.089 0.000 1.374 1119 I CB -0.274 37.892 38.000 0.278 0.000 1.057 1119 I HN 0.094 nan 8.210 nan 0.000 0.413 1120 A N 0.185 122.993 122.820 -0.019 0.000 1.933 1120 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 1120 A C 1.960 179.438 177.584 -0.177 0.000 1.175 1120 A CA 2.314 54.176 52.037 -0.291 0.000 0.628 1120 A CB -0.661 18.228 19.000 -0.184 0.000 0.814 1120 A HN 0.458 nan 8.150 nan 0.000 0.444 1121 D N -0.811 119.589 120.400 0.000 0.000 2.097 1121 D HA -0.015 4.625 4.640 -0.000 0.000 0.197 1121 D C 2.010 178.416 176.300 0.176 0.000 0.984 1121 D CA 1.577 55.702 54.000 0.207 0.000 0.826 1121 D CB -0.420 40.617 40.800 0.394 0.000 0.973 1121 D HN 0.283 nan 8.370 nan 0.000 0.460 1122 G N -0.066 108.795 108.800 0.102 0.000 2.432 1122 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 1122 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 1122 G C 1.535 176.401 174.900 -0.056 0.000 1.135 1122 G CA 0.564 45.718 45.100 0.089 0.000 0.767 1122 G HN 0.180 nan 8.290 nan 0.000 0.550 1123 M N 0.968 120.389 119.600 -0.299 0.000 2.156 1123 M HA 0.134 4.614 4.480 -0.000 0.000 0.264 1123 M C 3.023 179.032 176.300 -0.486 0.000 1.067 1123 M CA 1.166 56.109 55.300 -0.596 0.000 1.131 1123 M CB -1.050 30.643 32.600 -1.511 0.000 1.368 1123 M HN 0.311 nan 8.290 nan 0.000 0.416 1124 A N -0.710 121.911 122.820 -0.331 0.000 1.902 1124 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 1124 A C 2.116 179.579 177.584 -0.201 0.000 1.181 1124 A CA 1.479 53.525 52.037 0.016 0.000 0.623 1124 A CB -1.166 18.011 19.000 0.295 0.000 0.818 1124 A HN 0.510 nan 8.150 nan 0.000 0.443 1125 Y N 0.324 120.296 120.300 -0.546 0.000 2.128 1125 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 1125 Y C 2.069 177.640 175.900 -0.548 0.000 1.154 1125 Y CA 1.639 59.168 58.100 -0.952 0.000 1.149 1125 Y CB -0.299 37.775 38.460 -0.643 0.000 0.976 1125 Y HN 0.201 nan 8.280 nan 0.000 0.505 1126 L N 0.561 121.521 121.223 -0.438 0.000 1.971 1126 L HA -0.342 3.998 4.340 -0.000 0.000 0.215 1126 L C 2.042 178.772 176.870 -0.233 0.000 1.072 1126 L CA 2.501 57.082 54.840 -0.432 0.000 0.758 1126 L CB -1.043 40.886 42.059 -0.216 0.000 0.889 1126 L HN 0.456 nan 8.230 nan 0.000 0.433 1127 N N -0.635 117.997 118.700 -0.114 0.000 2.223 1127 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 1127 N C 1.764 177.236 175.510 -0.063 0.000 1.016 1127 N CA 1.020 54.065 53.050 -0.008 0.000 0.863 1127 N CB -0.017 38.541 38.487 0.118 0.000 0.983 1127 N HN 0.365 nan 8.380 nan 0.000 0.429 1128 A N 1.365 124.094 122.820 -0.152 0.000 1.972 1128 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 1128 A C 1.604 179.104 177.584 -0.140 0.000 1.169 1128 A CA 1.133 53.096 52.037 -0.123 0.000 0.635 1128 A CB -0.256 18.632 19.000 -0.186 0.000 0.810 1128 A HN 0.345 nan 8.150 nan 0.000 0.446 1129 N N -0.796 117.774 118.700 -0.217 0.000 2.314 1129 N HA 0.050 4.790 4.740 -0.000 0.000 0.200 1129 N C -0.606 174.886 175.510 -0.030 0.000 1.135 1129 N CA 0.003 53.004 53.050 -0.082 0.000 0.835 1129 N CB 0.381 38.829 38.487 -0.065 0.000 0.989 1129 N HN 0.040 nan 8.380 nan 0.000 0.478 1130 K N 0.240 120.585 120.400 -0.092 0.000 3.181 1130 K HA -0.126 4.194 4.320 -0.000 0.000 0.269 1130 K C -1.502 174.879 176.600 -0.365 0.000 1.097 1130 K CA 0.550 56.722 56.287 -0.192 0.000 0.783 1130 K CB -2.099 30.262 32.500 -0.231 0.000 1.267 1130 K HN 0.183 nan 8.250 nan 0.000 0.484 1131 F N -1.272 118.632 119.950 -0.077 0.000 2.520 1131 F HA 0.533 5.060 4.527 -0.000 0.000 0.322 1131 F C 0.383 176.183 175.800 0.000 0.000 1.103 1131 F CA -1.086 56.889 58.000 -0.042 0.000 0.926 1131 F CB 1.863 40.816 39.000 -0.078 0.000 1.154 1131 F HN -0.196 nan 8.300 nan 0.000 0.453 1132 V N 4.272 124.320 119.914 0.224 0.000 2.435 1132 V HA 0.183 4.303 4.120 -0.000 0.000 0.290 1132 V C 0.720 176.976 176.094 0.269 0.000 1.030 1132 V CA -0.154 62.282 62.300 0.226 0.000 0.881 1132 V CB 1.202 33.138 31.823 0.189 0.000 0.983 1132 V HN 0.866 nan 8.190 nan 0.000 0.445 1133 H N 5.377 124.573 119.070 0.210 0.000 2.363 1133 H HA 0.039 4.595 4.556 -0.000 0.000 0.301 1133 H C 1.820 177.241 175.328 0.154 0.000 1.074 1133 H CA 2.008 58.171 56.048 0.193 0.000 1.354 1133 H CB 0.390 30.248 29.762 0.160 0.000 1.397 1133 H HN 0.813 nan 8.280 nan 0.000 0.516 1134 R N -1.226 119.518 120.500 0.408 0.000 3.872 1134 R HA -0.200 4.140 4.340 -0.000 0.000 0.377 1134 R C 0.233 176.741 176.300 0.346 0.000 0.628 1134 R CA 1.756 58.062 56.100 0.343 0.000 1.612 1134 R CB -1.397 28.904 30.300 0.002 0.000 2.008 1134 R HN 0.320 nan 8.270 nan 0.000 0.414 1135 D N 0.385 121.025 120.400 0.401 0.000 2.571 1135 D HA 0.137 4.777 4.640 -0.000 0.000 0.239 1135 D C -0.704 175.602 176.300 0.010 0.000 1.267 1135 D CA -0.357 53.781 54.000 0.229 0.000 0.823 1135 D CB 0.295 41.225 40.800 0.216 0.000 1.056 1135 D HN 0.037 nan 8.370 nan 0.000 0.494 1136 L N 1.648 122.810 121.223 -0.103 0.000 2.534 1136 L HA 0.477 4.817 4.340 -0.000 0.000 0.271 1136 L C -0.467 176.366 176.870 -0.061 0.000 1.178 1136 L CA 0.245 54.912 54.840 -0.288 0.000 0.907 1136 L CB 0.233 42.229 42.059 -0.105 0.000 1.164 1136 L HN 0.122 nan 8.230 nan 0.000 0.482 1137 A N 4.026 126.762 122.820 -0.140 0.000 2.605 1137 A HA 0.693 5.013 4.320 -0.000 0.000 0.294 1137 A C 0.567 178.134 177.584 -0.028 0.000 1.062 1137 A CA -0.180 51.781 52.037 -0.127 0.000 0.682 1137 A CB 0.630 19.285 19.000 -0.576 0.000 1.278 1137 A HN 1.084 nan 8.150 nan 0.000 0.410 1138 A N 1.229 124.110 122.820 0.102 0.000 1.927 1138 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 1138 A C 1.985 179.586 177.584 0.028 0.000 1.185 1138 A CA 2.317 54.408 52.037 0.089 0.000 0.639 1138 A CB -0.656 18.438 19.000 0.156 0.000 0.820 1138 A HN 1.288 nan 8.150 nan 0.000 0.451 1139 R N -0.818 119.671 120.500 -0.018 0.000 2.249 1139 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 1139 R C 0.944 177.208 176.300 -0.061 0.000 1.121 1139 R CA 1.796 57.869 56.100 -0.046 0.000 0.997 1139 R CB -0.398 29.837 30.300 -0.108 0.000 0.867 1139 R HN 0.445 nan 8.270 nan 0.000 0.465 1140 N N -0.197 118.455 118.700 -0.079 0.000 2.322 1140 N HA 0.073 4.813 4.740 -0.000 0.000 0.181 1140 N C -0.202 175.267 175.510 -0.070 0.000 1.088 1140 N CA 0.174 53.174 53.050 -0.083 0.000 0.885 1140 N CB 0.366 38.791 38.487 -0.104 0.000 1.013 1140 N HN 0.137 nan 8.380 nan 0.000 0.472 1141 C N 1.642 120.915 119.300 -0.044 0.000 2.520 1141 C HA 0.482 4.942 4.460 -0.000 0.000 0.376 1141 C C 0.584 175.566 174.990 -0.014 0.000 1.268 1141 C CA -0.581 58.423 59.018 -0.023 0.000 2.414 1141 C CB 0.452 28.193 27.740 0.002 0.000 2.521 1141 C HN 0.221 nan 8.230 nan 0.000 0.618 1142 M N 1.486 121.076 119.600 -0.017 0.000 2.644 1142 M HA 0.565 5.045 4.480 -0.000 0.000 0.304 1142 M C -0.970 175.296 176.300 -0.056 0.000 1.215 1142 M CA -0.497 54.785 55.300 -0.029 0.000 0.871 1142 M CB 1.685 34.270 32.600 -0.026 0.000 1.740 1142 M HN 0.345 nan 8.290 nan 0.000 0.464 1143 V N 1.074 120.927 119.914 -0.102 0.000 2.487 1143 V HA 0.744 4.864 4.120 -0.000 0.000 0.298 1143 V C 0.169 176.149 176.094 -0.189 0.000 1.028 1143 V CA -0.881 61.308 62.300 -0.186 0.000 0.860 1143 V CB 1.335 32.927 31.823 -0.385 0.000 0.991 1143 V HN 1.022 nan 8.190 nan 0.000 0.427 1144 A N 2.662 125.381 122.820 -0.167 0.000 2.239 1144 A HA 0.605 4.925 4.320 -0.000 0.000 0.303 1144 A C 1.229 178.666 177.584 -0.245 0.000 1.114 1144 A CA -0.212 51.734 52.037 -0.152 0.000 0.871 1144 A CB 0.327 19.275 19.000 -0.086 0.000 1.201 1144 A HN 0.765 nan 8.150 nan 0.000 0.506 1145 E N 0.504 120.593 120.200 -0.185 0.000 2.086 1145 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 1145 E C 0.961 177.386 176.600 -0.291 0.000 1.012 1145 E CA 2.058 58.328 56.400 -0.217 0.000 0.812 1145 E CB -0.289 29.352 29.700 -0.099 0.000 0.743 1145 E HN 0.772 nan 8.360 nan 0.000 0.453 1146 D N -1.866 118.460 120.400 -0.123 0.000 2.336 1146 D HA -0.042 4.598 4.640 -0.000 0.000 0.228 1146 D C 0.086 176.511 176.300 0.209 0.000 1.120 1146 D CA -0.247 53.785 54.000 0.054 0.000 0.839 1146 D CB -0.592 40.277 40.800 0.116 0.000 0.932 1146 D HN 0.149 nan 8.370 nan 0.000 0.509 1147 F N -1.469 118.455 119.950 -0.044 0.000 2.582 1147 F HA -0.232 4.295 4.527 -0.000 0.000 0.350 1147 F C 0.299 176.059 175.800 -0.067 0.000 0.615 1147 F CA 0.640 58.579 58.000 -0.102 0.000 1.488 1147 F CB -2.502 36.466 39.000 -0.054 0.000 1.958 1147 F HN -0.107 nan 8.300 nan 0.000 0.294 1148 T N 1.920 116.529 114.554 0.091 0.000 2.870 1148 T HA 0.458 4.808 4.350 -0.000 0.000 0.300 1148 T C 0.439 175.163 174.700 0.040 0.000 0.989 1148 T CA -0.182 61.982 62.100 0.106 0.000 1.139 1148 T CB 1.351 70.302 68.868 0.139 0.000 0.920 1148 T HN 0.016 nan 8.240 nan 0.000 0.537 1149 V N 5.546 125.495 119.914 0.058 0.000 2.439 1149 V HA 0.389 4.509 4.120 -0.000 0.000 0.282 1149 V C 0.207 176.336 176.094 0.059 0.000 1.039 1149 V CA -0.472 61.843 62.300 0.026 0.000 0.913 1149 V CB 1.150 32.986 31.823 0.022 0.000 0.983 1149 V HN 0.770 nan 8.190 nan 0.000 0.460 1150 K N 4.198 124.621 120.400 0.038 0.000 2.385 1150 K HA 0.625 4.945 4.320 -0.000 0.000 0.248 1150 K C -1.235 175.388 176.600 0.038 0.000 0.955 1150 K CA -1.062 55.261 56.287 0.061 0.000 0.816 1150 K CB 2.261 34.783 32.500 0.036 0.000 1.250 1150 K HN 0.294 nan 8.250 nan 0.000 0.434 1151 I N 1.437 122.043 120.570 0.060 0.000 2.588 1151 I HA 0.100 4.270 4.170 -0.000 0.000 0.283 1151 I C 1.227 177.331 176.117 -0.022 0.000 1.119 1151 I CA 0.593 61.904 61.300 0.019 0.000 1.419 1151 I CB 0.917 38.970 38.000 0.088 0.000 1.394 1151 I HN 0.997 nan 8.210 nan 0.000 0.562 1152 G N 3.541 112.231 108.800 -0.182 0.000 2.626 1152 G HA2 0.054 4.014 3.960 -0.000 0.000 0.193 1152 G HA3 0.054 4.014 3.960 -0.000 0.000 0.193 1152 G C -0.308 174.415 174.900 -0.296 0.000 1.195 1152 G CA 0.053 45.057 45.100 -0.160 0.000 0.864 1152 G HN 0.506 nan 8.290 nan 0.000 0.790 1153 D N -0.295 119.817 120.400 -0.480 0.000 2.620 1153 D HA 0.447 5.087 4.640 -0.000 0.000 0.252 1153 D C -0.844 175.132 176.300 -0.539 0.000 1.207 1153 D CA -0.890 52.906 54.000 -0.341 0.000 0.884 1153 D CB 1.230 41.959 40.800 -0.119 0.000 1.262 1153 D HN 0.011 nan 8.370 nan 0.000 0.552 1154 F N 1.480 121.398 119.950 -0.052 0.000 2.735 1154 F HA 0.311 4.838 4.527 -0.000 0.000 0.304 1154 F C 2.093 177.837 175.800 -0.093 0.000 1.119 1154 F CA -0.635 57.270 58.000 -0.159 0.000 1.280 1154 F CB 1.217 40.160 39.000 -0.094 0.000 0.994 1154 F HN 0.524 nan 8.300 nan 0.000 0.520 1155 G N 0.094 108.935 108.800 0.068 0.000 2.498 1155 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 1155 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 1155 G C 1.353 176.278 174.900 0.042 0.000 1.119 1155 G CA 0.752 45.898 45.100 0.076 0.000 0.766 1155 G HN 0.334 nan 8.290 nan 0.000 0.552 1156 M N 0.541 120.148 119.600 0.011 0.000 2.306 1156 M HA 0.251 4.731 4.480 -0.000 0.000 0.292 1156 M C 1.172 177.466 176.300 -0.011 0.000 1.018 1156 M CA 0.063 55.358 55.300 -0.009 0.000 1.007 1156 M CB 0.936 33.531 32.600 -0.008 0.000 1.510 1156 M HN 0.082 nan 8.290 nan 0.000 0.537 1157 T N 0.455 115.018 114.554 0.015 0.000 2.882 1157 T HA 0.524 4.874 4.350 -0.000 0.000 0.287 1157 T C 0.025 174.813 174.700 0.146 0.000 1.014 1157 T CA -0.494 61.652 62.100 0.076 0.000 1.049 1157 T CB 0.934 69.858 68.868 0.093 0.000 1.001 1157 T HN 0.179 nan 8.240 nan 0.000 0.525 1158 R N 1.804 122.421 120.500 0.196 0.000 2.771 1158 R HA 0.391 4.731 4.340 -0.000 0.000 0.274 1158 R C -1.076 175.302 176.300 0.130 0.000 0.987 1158 R CA -0.850 55.344 56.100 0.157 0.000 0.908 1158 R CB 1.517 31.840 30.300 0.039 0.000 1.213 1158 R HN 0.813 nan 8.270 nan 0.000 0.468 1159 D N 2.414 122.791 120.400 -0.038 0.000 2.389 1159 D HA 0.276 4.916 4.640 -0.000 0.000 0.247 1159 D C 0.250 176.398 176.300 -0.253 0.000 1.128 1159 D CA 0.017 53.766 54.000 -0.418 0.000 0.884 1159 D CB 0.662 41.266 40.800 -0.326 0.000 1.194 1159 D HN 0.453 nan 8.370 nan 0.000 0.441 1163 T N -0.212 114.328 114.554 -0.024 0.000 10.514 1163 T HA -0.230 4.120 4.350 -0.000 0.000 0.352 1163 T C 0.401 175.091 174.700 -0.016 0.000 1.865 1163 T CA 0.629 62.721 62.100 -0.013 0.000 3.075 1163 T CB -1.580 67.283 68.868 -0.008 0.000 2.118 1163 T HN 0.633 nan 8.240 nan 0.000 0.636 1168 K N 2.130 122.631 120.400 0.169 0.000 2.322 1168 K HA 0.373 4.693 4.320 -0.000 0.000 0.283 1168 K C 0.589 177.235 176.600 0.077 0.000 1.042 1168 K CA 0.669 57.019 56.287 0.104 0.000 0.958 1168 K CB 1.288 33.877 32.500 0.149 0.000 0.984 1168 K HN 0.629 nan 8.250 nan 0.000 0.473 1169 G N 2.614 111.442 108.800 0.046 0.000 2.615 1169 G HA2 0.094 4.054 3.960 -0.000 0.000 0.213 1169 G HA3 0.094 4.054 3.960 -0.000 0.000 0.213 1169 G C 0.683 175.602 174.900 0.033 0.000 1.215 1169 G CA 0.401 45.523 45.100 0.036 0.000 0.843 1169 G HN 0.728 nan 8.290 nan 0.000 0.571 1170 G N -0.208 108.608 108.800 0.027 0.000 3.086 1170 G HA2 0.378 4.338 3.960 -0.000 0.000 0.159 1170 G HA3 0.378 4.338 3.960 -0.000 0.000 0.159 1170 G C -0.177 174.740 174.900 0.029 0.000 1.654 1170 G CA -0.368 44.747 45.100 0.024 0.000 1.078 1170 G HN 0.194 nan 8.290 nan 0.000 0.558 1171 K N 0.708 121.122 120.400 0.024 0.000 2.201 1171 K HA 0.471 4.791 4.320 -0.000 0.000 0.278 1171 K C -0.105 176.512 176.600 0.028 0.000 1.027 1171 K CA -0.120 56.183 56.287 0.027 0.000 0.909 1171 K CB 1.020 33.532 32.500 0.021 0.000 1.062 1171 K HN 0.462 nan 8.250 nan 0.000 0.465 1172 G N 2.385 111.210 108.800 0.041 0.000 2.482 1172 G HA2 0.507 4.467 3.960 -0.000 0.000 0.317 1172 G HA3 0.507 4.467 3.960 -0.000 0.000 0.317 1172 G C 0.014 174.942 174.900 0.046 0.000 1.241 1172 G CA -0.607 44.518 45.100 0.042 0.000 0.967 1172 G HN 0.537 nan 8.290 nan 0.000 0.482 1173 L N 1.548 122.793 121.223 0.035 0.000 3.017 1173 L HA 0.332 4.672 4.340 -0.000 0.000 0.255 1173 L C 0.217 177.115 176.870 0.048 0.000 1.247 1173 L CA -0.159 54.702 54.840 0.036 0.000 1.038 1173 L CB -0.025 42.044 42.059 0.016 0.000 1.380 1173 L HN 0.182 nan 8.230 nan 0.000 0.548 1174 L N 3.160 124.429 121.223 0.076 0.000 2.367 1174 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 1174 L C -1.529 175.420 176.870 0.132 0.000 1.129 1174 L CA -1.721 53.179 54.840 0.100 0.000 0.839 1174 L CB 0.508 42.663 42.059 0.161 0.000 1.133 1174 L HN -0.054 nan 8.230 nan 0.000 0.453 1175 P HA -0.094 nan 4.420 nan 0.000 0.256 1175 P C 0.971 178.466 177.300 0.325 0.000 1.173 1175 P CA 0.060 63.290 63.100 0.218 0.000 0.768 1175 P CB 0.491 32.291 31.700 0.168 0.000 0.758 1176 V N 2.532 122.586 119.914 0.233 0.000 2.720 1176 V HA -0.228 3.892 4.120 -0.000 0.000 0.256 1176 V C 1.931 178.135 176.094 0.184 0.000 1.082 1176 V CA 1.175 63.572 62.300 0.162 0.000 1.101 1176 V CB -1.232 30.623 31.823 0.054 0.000 0.693 1176 V HN 0.394 nan 8.190 nan 0.000 0.479 1177 R N -0.957 119.730 120.500 0.312 0.000 2.316 1177 R HA 0.034 4.374 4.340 -0.000 0.000 0.202 1177 R C 1.624 177.941 176.300 0.029 0.000 1.029 1177 R CA 1.249 57.401 56.100 0.087 0.000 1.018 1177 R CB -0.206 30.043 30.300 -0.085 0.000 0.888 1177 R HN 0.644 nan 8.270 nan 0.000 0.471 1178 W N 0.199 121.630 121.300 0.219 0.000 3.008 1178 W HA 0.308 4.968 4.660 -0.000 0.000 0.355 1178 W C 0.209 176.927 176.519 0.332 0.000 1.095 1178 W CA -0.566 56.956 57.345 0.295 0.000 1.738 1178 W CB 0.354 29.956 29.460 0.237 0.000 1.091 1178 W HN -0.048 nan 8.180 nan 0.000 0.574 1179 M N 1.264 121.079 119.600 0.359 0.000 2.235 1179 M HA 0.094 4.574 4.480 -0.000 0.000 0.351 1179 M C 1.095 177.207 176.300 -0.313 0.000 1.178 1179 M CA 0.295 55.652 55.300 0.095 0.000 1.143 1179 M CB 1.144 33.764 32.600 0.034 0.000 1.530 1179 M HN -0.258 nan 8.290 nan 0.000 0.461 1180 S N 2.274 117.578 115.700 -0.660 0.000 2.614 1180 S HA 0.287 4.757 4.470 -0.000 0.000 0.265 1180 S C -2.122 171.866 174.600 -1.021 0.000 1.303 1180 S CA -1.183 56.142 58.200 -1.457 0.000 1.000 1180 S CB 0.520 63.163 63.200 -0.927 0.000 0.935 1180 S HN 0.429 nan 8.310 nan 0.000 0.551 1181 P HA -0.211 nan 4.420 nan 0.000 0.216 1181 P C 1.677 178.645 177.300 -0.554 0.000 1.157 1181 P CA 1.698 64.336 63.100 -0.770 0.000 0.880 1181 P CB -0.093 30.993 31.700 -1.023 0.000 0.791 1182 E N -0.529 119.334 120.200 -0.561 0.000 2.208 1182 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 1182 E C 1.658 178.043 176.600 -0.357 0.000 0.988 1182 E CA 1.315 57.490 56.400 -0.374 0.000 0.828 1182 E CB -1.070 28.449 29.700 -0.301 0.000 0.763 1182 E HN 0.180 nan 8.360 nan 0.000 0.478 1183 S N 1.708 117.119 115.700 -0.482 0.000 2.355 1183 S HA -0.013 4.457 4.470 -0.000 0.000 0.222 1183 S C 2.217 176.602 174.600 -0.360 0.000 1.031 1183 S CA 0.987 58.824 58.200 -0.605 0.000 0.993 1183 S CB -0.365 62.263 63.200 -0.954 0.000 0.859 1183 S HN 0.189 nan 8.310 nan 0.000 0.453 1184 L N 1.230 122.273 121.223 -0.301 0.000 2.131 1184 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 1184 L C 2.557 179.343 176.870 -0.140 0.000 1.092 1184 L CA 1.223 55.953 54.840 -0.183 0.000 0.759 1184 L CB -0.370 41.572 42.059 -0.196 0.000 0.903 1184 L HN 0.274 nan 8.230 nan 0.000 0.435 1185 K N -0.626 119.674 120.400 -0.168 0.000 2.137 1185 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 1185 K C 0.953 177.504 176.600 -0.082 0.000 1.052 1185 K CA 1.230 57.450 56.287 -0.112 0.000 0.961 1185 K CB 0.354 32.785 32.500 -0.114 0.000 0.741 1185 K HN 0.262 nan 8.250 nan 0.000 0.452 1186 D N -1.933 118.407 120.400 -0.100 0.000 2.480 1186 D HA 0.105 4.745 4.640 -0.000 0.000 0.243 1186 D C 0.497 176.779 176.300 -0.029 0.000 1.120 1186 D CA 0.747 54.713 54.000 -0.057 0.000 0.835 1186 D CB 1.324 42.091 40.800 -0.055 0.000 1.204 1186 D HN 0.354 nan 8.370 nan 0.000 0.513 1187 G N 1.905 110.665 108.800 -0.066 0.000 2.160 1187 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 1187 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 1187 G C 0.101 175.071 174.900 0.117 0.000 1.022 1187 G CA 0.345 45.478 45.100 0.056 0.000 0.741 1187 G HN 0.327 nan 8.290 nan 0.000 0.508 1188 V N 0.422 120.270 119.914 -0.109 0.000 2.439 1188 V HA 0.807 4.927 4.120 -0.000 0.000 0.282 1188 V C -0.401 175.569 176.094 -0.207 0.000 1.039 1188 V CA -0.799 61.492 62.300 -0.015 0.000 0.913 1188 V CB 0.820 32.621 31.823 -0.036 0.000 0.983 1188 V HN 0.249 nan 8.190 nan 0.000 0.460 1189 F N 4.323 124.286 119.950 0.023 0.000 2.507 1189 F HA 0.754 5.281 4.527 -0.000 0.000 0.325 1189 F C 0.479 176.297 175.800 0.031 0.000 1.116 1189 F CA -0.434 57.591 58.000 0.041 0.000 0.930 1189 F CB 2.243 41.280 39.000 0.062 0.000 1.146 1189 F HN 0.611 nan 8.300 nan 0.000 0.447 1190 T N -3.264 111.386 114.554 0.160 0.000 2.778 1190 T HA 0.290 4.640 4.350 -0.000 0.000 0.293 1190 T C 0.929 175.637 174.700 0.014 0.000 1.144 1190 T CA 0.006 62.123 62.100 0.028 0.000 1.010 1190 T CB 1.276 70.105 68.868 -0.064 0.000 1.325 1190 T HN 0.623 nan 8.240 nan 0.000 0.515 1191 T N -1.020 113.442 114.554 -0.153 0.000 2.833 1191 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 1191 T C 1.439 176.135 174.700 -0.007 0.000 1.054 1191 T CA 1.421 63.488 62.100 -0.055 0.000 1.135 1191 T CB -1.011 67.779 68.868 -0.129 0.000 0.869 1191 T HN 0.609 nan 8.240 nan 0.000 0.466 1192 Y N 2.956 123.291 120.300 0.058 0.000 2.165 1192 Y HA -0.071 4.479 4.550 -0.000 0.000 0.286 1192 Y C 3.254 179.208 175.900 0.091 0.000 1.155 1192 Y CA 0.787 58.906 58.100 0.032 0.000 1.164 1192 Y CB -1.249 37.218 38.460 0.012 0.000 0.978 1192 Y HN 0.505 nan 8.280 nan 0.000 0.513 1193 S N -0.684 115.156 115.700 0.234 0.000 2.423 1193 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 1193 S C 1.585 176.385 174.600 0.333 0.000 1.014 1193 S CA 1.246 59.567 58.200 0.202 0.000 0.965 1193 S CB -0.405 62.820 63.200 0.041 0.000 0.785 1193 S HN 0.313 nan 8.310 nan 0.000 0.495 1194 D N 1.582 122.183 120.400 0.334 0.000 2.117 1194 D HA -0.026 4.614 4.640 -0.000 0.000 0.197 1194 D C 2.006 178.591 176.300 0.474 0.000 0.987 1194 D CA 0.856 55.115 54.000 0.432 0.000 0.829 1194 D CB -0.480 40.611 40.800 0.484 0.000 0.961 1194 D HN 0.306 nan 8.370 nan 0.000 0.460 1195 V N 0.703 120.760 119.914 0.239 0.000 2.343 1195 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 1195 V C 2.121 178.407 176.094 0.320 0.000 1.051 1195 V CA 1.269 63.593 62.300 0.039 0.000 1.036 1195 V CB -0.444 31.256 31.823 -0.206 0.000 0.654 1195 V HN 0.422 nan 8.190 nan 0.000 0.451 1196 W N 1.097 122.521 121.300 0.207 0.000 2.315 1196 W HA -0.253 4.406 4.660 -0.000 0.000 0.323 1196 W C 2.548 179.301 176.519 0.390 0.000 1.233 1196 W CA 2.329 59.856 57.345 0.303 0.000 1.267 1196 W CB -0.700 28.892 29.460 0.219 0.000 1.160 1196 W HN 0.316 nan 8.180 nan 0.000 0.474 1197 S N 0.869 116.978 115.700 0.682 0.000 2.387 1197 S HA -0.271 4.199 4.470 -0.000 0.000 0.230 1197 S C 1.537 176.422 174.600 0.474 0.000 1.035 1197 S CA 1.823 60.384 58.200 0.602 0.000 1.014 1197 S CB -1.110 62.425 63.200 0.559 0.000 0.836 1197 S HN 0.375 nan 8.310 nan 0.000 0.466 1198 F N 2.518 122.659 119.950 0.317 0.000 2.126 1198 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 1198 F C 2.286 178.166 175.800 0.133 0.000 1.096 1198 F CA 1.371 59.526 58.000 0.258 0.000 1.255 1198 F CB -1.014 38.206 39.000 0.367 0.000 0.997 1198 F HN 0.219 nan 8.300 nan 0.000 0.479 1199 G N -0.195 108.623 108.800 0.030 0.000 2.450 1199 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 1199 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 1199 G C 1.693 176.573 174.900 -0.034 0.000 1.130 1199 G CA 1.202 46.103 45.100 -0.332 0.000 0.760 1199 G HN 0.376 nan 8.290 nan 0.000 0.557 1200 V N 0.792 120.837 119.914 0.219 0.000 2.453 1200 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 1200 V C 3.023 179.259 176.094 0.236 0.000 1.048 1200 V CA 1.585 64.019 62.300 0.222 0.000 1.049 1200 V CB -0.016 31.792 31.823 -0.025 0.000 0.672 1200 V HN 0.390 nan 8.190 nan 0.000 0.457 1201 V N -1.304 118.711 119.914 0.168 0.000 2.809 1201 V HA -0.088 4.032 4.120 -0.000 0.000 0.256 1201 V C 2.019 178.101 176.094 -0.022 0.000 1.080 1201 V CA 1.500 63.882 62.300 0.137 0.000 1.102 1201 V CB -0.416 31.470 31.823 0.103 0.000 0.705 1201 V HN 0.454 nan 8.190 nan 0.000 0.475 1202 L N -1.475 119.641 121.223 -0.177 0.000 2.027 1202 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 1202 L C 2.405 179.272 176.870 -0.006 0.000 1.074 1202 L CA 2.376 57.097 54.840 -0.198 0.000 0.745 1202 L CB -0.605 41.250 42.059 -0.341 0.000 0.898 1202 L HN 0.563 nan 8.230 nan 0.000 0.433 1203 W N 1.439 122.694 121.300 -0.075 0.000 2.338 1203 W HA -0.217 4.443 4.660 -0.000 0.000 0.304 1203 W C 2.462 178.983 176.519 0.004 0.000 1.212 1203 W CA 1.696 59.052 57.345 0.019 0.000 1.264 1203 W CB 0.003 29.532 29.460 0.115 0.000 1.142 1203 W HN 0.110 nan 8.180 nan 0.000 0.512 1204 E N -0.249 120.109 120.200 0.264 0.000 2.153 1204 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 1204 E C 2.042 178.639 176.600 -0.005 0.000 0.988 1204 E CA 1.662 58.160 56.400 0.163 0.000 0.811 1204 E CB -0.396 29.468 29.700 0.274 0.000 0.746 1204 E HN 0.395 nan 8.360 nan 0.000 0.466 1205 I N 0.629 121.188 120.570 -0.017 0.000 2.333 1205 I HA -0.149 4.021 4.170 -0.000 0.000 0.246 1205 I C 2.389 178.445 176.117 -0.102 0.000 1.106 1205 I CA 0.642 61.920 61.300 -0.036 0.000 1.411 1205 I CB -0.104 37.880 38.000 -0.028 0.000 1.082 1205 I HN 0.024 nan 8.210 nan 0.000 0.420 1206 A N 0.226 122.950 122.820 -0.159 0.000 2.121 1206 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 1206 A C 2.015 179.421 177.584 -0.295 0.000 1.154 1206 A CA 1.956 53.870 52.037 -0.205 0.000 0.679 1206 A CB -0.832 18.047 19.000 -0.202 0.000 0.795 1206 A HN 0.508 nan 8.150 nan 0.000 0.458 1207 T N -3.891 110.434 114.554 -0.382 0.000 3.132 1207 T HA 0.455 4.805 4.350 -0.000 0.000 0.274 1207 T C 0.382 174.939 174.700 -0.238 0.000 1.011 1207 T CA -0.036 61.813 62.100 -0.419 0.000 0.899 1207 T CB -0.442 67.946 68.868 -0.801 0.000 1.089 1207 T HN 0.501 nan 8.240 nan 0.000 0.543 1208 L N 0.843 121.972 121.223 -0.157 0.000 3.677 1208 L HA -0.253 4.087 4.340 -0.000 0.000 0.464 1208 L C 0.907 177.745 176.870 -0.053 0.000 1.278 1208 L CA 0.253 55.038 54.840 -0.092 0.000 0.806 1208 L CB -2.371 39.629 42.059 -0.099 0.000 1.610 1208 L HN 0.852 nan 8.230 nan 0.000 0.867 1209 A N -0.738 122.072 122.820 -0.017 0.000 2.914 1209 A HA -0.182 4.138 4.320 -0.000 0.000 0.280 1209 A C 0.728 178.359 177.584 0.079 0.000 1.447 1209 A CA 1.577 53.654 52.037 0.068 0.000 0.759 1209 A CB -1.229 17.816 19.000 0.075 0.000 1.034 1209 A HN 0.685 nan 8.150 nan 0.000 0.529 1210 E N -0.163 120.057 120.200 0.033 0.000 2.345 1210 E HA 0.282 4.632 4.350 -0.000 0.000 0.259 1210 E C 0.439 177.202 176.600 0.271 0.000 1.117 1210 E CA -0.622 55.833 56.400 0.091 0.000 0.913 1210 E CB 0.565 30.250 29.700 -0.026 0.000 1.057 1210 E HN 0.606 nan 8.360 nan 0.000 0.432 1211 Q N 2.110 122.055 119.800 0.243 0.000 2.293 1211 Q HA 0.147 4.487 4.340 -0.000 0.000 0.263 1211 Q C -2.284 173.828 176.000 0.188 0.000 1.002 1211 Q CA -1.918 54.024 55.803 0.232 0.000 0.910 1211 Q CB 0.581 29.422 28.738 0.173 0.000 1.185 1211 Q HN 0.098 nan 8.270 nan 0.000 0.401 1212 P HA -0.079 nan 4.420 nan 0.000 0.265 1212 P C -1.247 175.889 177.300 -0.273 0.000 1.193 1212 P CA 0.422 63.170 63.100 -0.587 0.000 0.765 1212 P CB 0.086 31.294 31.700 -0.819 0.000 0.823 1213 Y N -0.673 119.406 120.300 -0.369 0.000 3.825 1213 Y HA -0.287 4.263 4.550 -0.000 0.000 0.221 1213 Y C 0.961 176.792 175.900 -0.115 0.000 1.195 1213 Y CA 0.506 58.473 58.100 -0.222 0.000 1.699 1213 Y CB -2.715 35.626 38.460 -0.198 0.000 1.531 1213 Y HN 0.448 nan 8.280 nan 0.000 0.640 1214 Q N 0.910 120.739 119.800 0.048 0.000 2.330 1214 Q HA 0.386 4.726 4.340 -0.000 0.000 0.279 1214 Q C 1.296 177.313 176.000 0.028 0.000 1.024 1214 Q CA 0.679 56.518 55.803 0.060 0.000 0.900 1214 Q CB 1.333 30.119 28.738 0.081 0.000 1.221 1214 Q HN 0.825 nan 8.270 nan 0.000 0.396 1215 G N 2.285 111.095 108.800 0.016 0.000 2.179 1215 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 1215 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 1215 G C -0.241 174.639 174.900 -0.033 0.000 0.990 1215 G CA -0.044 45.050 45.100 -0.010 0.000 0.646 1215 G HN 0.529 nan 8.290 nan 0.000 0.517 1216 L N 1.546 122.755 121.223 -0.024 0.000 2.341 1216 L HA 0.711 5.051 4.340 -0.000 0.000 0.267 1216 L C 0.789 177.649 176.870 -0.017 0.000 1.009 1216 L CA -0.599 54.214 54.840 -0.046 0.000 0.819 1216 L CB 2.156 44.165 42.059 -0.083 0.000 1.323 1216 L HN 0.338 nan 8.230 nan 0.000 0.425 1217 S N -0.101 115.585 115.700 -0.023 0.000 2.616 1217 S HA 0.285 4.755 4.470 -0.000 0.000 0.277 1217 S C 0.674 175.265 174.600 -0.014 0.000 1.234 1217 S CA -0.849 57.347 58.200 -0.007 0.000 1.028 1217 S CB 1.345 64.541 63.200 -0.006 0.000 0.988 1217 S HN 0.596 nan 8.310 nan 0.000 0.522 1218 N N 2.189 120.890 118.700 0.003 0.000 2.073 1218 N HA -0.218 4.522 4.740 -0.000 0.000 0.199 1218 N C 1.587 177.085 175.510 -0.020 0.000 1.023 1218 N CA 2.237 55.286 53.050 -0.001 0.000 0.880 1218 N CB -0.670 37.830 38.487 0.021 0.000 1.052 1218 N HN 0.816 nan 8.380 nan 0.000 0.449 1219 E N 0.784 120.977 120.200 -0.011 0.000 2.118 1219 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 1219 E C 1.876 178.464 176.600 -0.020 0.000 0.992 1219 E CA 1.054 57.446 56.400 -0.013 0.000 0.804 1219 E CB -0.303 29.393 29.700 -0.007 0.000 0.741 1219 E HN 0.616 nan 8.360 nan 0.000 0.458 1220 Q N 0.530 120.315 119.800 -0.025 0.000 2.096 1220 Q HA -0.055 4.285 4.340 -0.000 0.000 0.197 1220 Q C 2.531 178.517 176.000 -0.024 0.000 0.964 1220 Q CA 0.945 56.733 55.803 -0.025 0.000 0.838 1220 Q CB -0.011 28.700 28.738 -0.044 0.000 0.906 1220 Q HN 0.093 nan 8.270 nan 0.000 0.444 1221 V N 1.773 121.641 119.914 -0.076 0.000 2.287 1221 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 1221 V C 2.277 178.288 176.094 -0.139 0.000 1.053 1221 V CA 1.371 63.570 62.300 -0.168 0.000 1.027 1221 V CB -0.660 30.980 31.823 -0.306 0.000 0.646 1221 V HN 0.429 nan 8.190 nan 0.000 0.447 1222 L N 0.164 121.324 121.223 -0.104 0.000 2.034 1222 L HA -0.288 4.052 4.340 -0.000 0.000 0.217 1222 L C 2.599 179.429 176.870 -0.067 0.000 1.077 1222 L CA 2.581 57.370 54.840 -0.086 0.000 0.769 1222 L CB -0.913 41.116 42.059 -0.050 0.000 0.890 1222 L HN 0.356 nan 8.230 nan 0.000 0.435 1223 R N -1.822 118.664 120.500 -0.023 0.000 2.119 1223 R HA -0.169 4.171 4.340 -0.000 0.000 0.222 1223 R C 2.314 178.635 176.300 0.035 0.000 1.088 1223 R CA 0.999 57.101 56.100 0.002 0.000 0.984 1223 R CB -0.268 30.044 30.300 0.020 0.000 0.884 1223 R HN 0.295 nan 8.270 nan 0.000 0.447 1224 F N 0.602 120.487 119.950 -0.109 0.000 2.113 1224 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 1224 F C 1.806 177.558 175.800 -0.080 0.000 1.103 1224 F CA 1.277 59.221 58.000 -0.093 0.000 1.248 1224 F CB -0.524 38.404 39.000 -0.119 0.000 0.999 1224 F HN -0.239 nan 8.300 nan 0.000 0.475 1225 V N 0.783 120.525 119.914 -0.287 0.000 2.343 1225 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 1225 V C 2.524 178.488 176.094 -0.215 0.000 1.051 1225 V CA 2.184 64.279 62.300 -0.342 0.000 1.036 1225 V CB -0.631 31.027 31.823 -0.276 0.000 0.654 1225 V HN 0.377 nan 8.190 nan 0.000 0.451 1226 M N -0.796 118.712 119.600 -0.153 0.000 2.279 1226 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 1226 M C 1.792 178.129 176.300 0.062 0.000 1.062 1226 M CA 1.614 56.874 55.300 -0.067 0.000 1.099 1226 M CB -0.283 32.273 32.600 -0.073 0.000 1.394 1226 M HN 0.349 nan 8.290 nan 0.000 0.426 1227 E N -0.845 119.337 120.200 -0.029 0.000 2.463 1227 E HA 0.123 4.473 4.350 -0.000 0.000 0.193 1227 E C 0.803 177.336 176.600 -0.112 0.000 1.041 1227 E CA 0.214 56.580 56.400 -0.058 0.000 0.879 1227 E CB 0.435 30.103 29.700 -0.053 0.000 0.997 1227 E HN 0.611 nan 8.360 nan 0.000 0.478 1228 G N 0.489 109.254 108.800 -0.059 0.000 2.154 1228 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.186 1228 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.186 1228 G C 0.445 175.231 174.900 -0.190 0.000 1.000 1228 G CA -0.455 44.626 45.100 -0.030 0.000 0.664 1228 G HN 0.424 nan 8.290 nan 0.000 0.513 1229 G N -0.411 108.036 108.800 -0.588 0.000 2.544 1229 G HA2 0.601 4.561 3.960 -0.000 0.000 0.242 1229 G HA3 0.601 4.561 3.960 -0.000 0.000 0.242 1229 G C 0.085 174.633 174.900 -0.586 0.000 1.247 1229 G CA -0.087 44.330 45.100 -1.138 0.000 0.840 1229 G HN 0.768 nan 8.290 nan 0.000 0.578 1230 L N 0.141 121.245 121.223 -0.198 0.000 2.350 1230 L HA 0.442 4.782 4.340 -0.000 0.000 0.260 1230 L C 0.021 176.872 176.870 -0.032 0.000 1.015 1230 L CA -1.054 53.705 54.840 -0.134 0.000 0.821 1230 L CB 1.992 44.047 42.059 -0.006 0.000 1.370 1230 L HN 0.307 nan 8.230 nan 0.000 0.416 1231 L N 1.124 122.037 121.223 -0.516 0.000 2.461 1231 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 1231 L C -0.163 176.728 176.870 0.035 0.000 1.197 1231 L CA -0.101 54.397 54.840 -0.571 0.000 0.836 1231 L CB 0.200 41.427 42.059 -1.386 0.000 1.105 1231 L HN 0.478 nan 8.230 nan 0.000 0.477 1232 D N 2.199 122.679 120.400 0.133 0.000 2.341 1232 D HA 0.060 4.700 4.640 -0.000 0.000 0.245 1232 D C 0.067 176.584 176.300 0.362 0.000 1.106 1232 D CA -0.309 53.832 54.000 0.235 0.000 0.905 1232 D CB 0.894 41.772 40.800 0.130 0.000 1.202 1232 D HN 0.289 nan 8.370 nan 0.000 0.426 1233 K N 2.145 122.527 120.400 -0.030 0.000 2.491 1233 K HA 0.050 4.370 4.320 -0.000 0.000 0.279 1233 K C -2.332 174.198 176.600 -0.116 0.000 1.026 1233 K CA -0.822 55.176 56.287 -0.482 0.000 1.070 1233 K CB 0.190 31.966 32.500 -1.208 0.000 0.887 1233 K HN 0.069 nan 8.250 nan 0.000 0.481 1234 P HA 0.020 nan 4.420 nan 0.000 0.271 1234 P C -1.097 176.108 177.300 -0.157 0.000 1.216 1234 P CA -0.308 62.690 63.100 -0.169 0.000 0.771 1234 P CB 0.670 32.166 31.700 -0.339 0.000 0.864 1235 D N 2.658 122.979 120.400 -0.131 0.000 2.455 1235 D HA -0.023 4.617 4.640 -0.000 0.000 0.241 1235 D C 0.940 177.173 176.300 -0.113 0.000 1.138 1235 D CA 0.904 54.837 54.000 -0.110 0.000 0.877 1235 D CB -0.146 40.603 40.800 -0.085 0.000 1.187 1235 D HN 0.420 nan 8.370 nan 0.000 0.451 1236 N N 0.839 119.481 118.700 -0.096 0.000 2.972 1236 N HA -0.245 4.495 4.740 -0.000 0.000 0.225 1236 N C -0.252 175.207 175.510 -0.085 0.000 0.883 1236 N CA 0.579 53.578 53.050 -0.084 0.000 1.010 1236 N CB -1.246 37.192 38.487 -0.082 0.000 1.052 1236 N HN 0.501 nan 8.380 nan 0.000 0.598 1237 C N 3.076 122.316 119.300 -0.101 0.000 2.653 1237 C HA 0.268 4.728 4.460 -0.000 0.000 0.421 1237 C C -1.826 173.133 174.990 -0.051 0.000 1.334 1237 C CA -0.873 58.096 59.018 -0.081 0.000 1.885 1237 C CB -0.147 27.545 27.740 -0.081 0.000 2.645 1237 C HN 0.152 nan 8.230 nan 0.000 0.601 1238 P HA 0.130 nan 4.420 nan 0.000 0.267 1238 P C 0.489 177.800 177.300 0.018 0.000 1.205 1238 P CA 0.293 63.384 63.100 -0.015 0.000 0.765 1238 P CB 0.518 32.207 31.700 -0.018 0.000 0.828 1239 D N 2.660 123.070 120.400 0.018 0.000 2.149 1239 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 1239 D C 1.584 177.932 176.300 0.080 0.000 1.001 1239 D CA 1.387 55.420 54.000 0.056 0.000 0.849 1239 D CB -0.242 40.578 40.800 0.033 0.000 0.939 1239 D HN 0.373 nan 8.370 nan 0.000 0.449 1240 M N 0.510 120.131 119.600 0.034 0.000 2.108 1240 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 1240 M C 2.118 178.419 176.300 0.002 0.000 1.066 1240 M CA 1.128 56.436 55.300 0.013 0.000 1.107 1240 M CB -0.378 32.220 32.600 -0.004 0.000 1.356 1240 M HN 0.022 nan 8.290 nan 0.000 0.406 1241 L N 0.360 121.588 121.223 0.009 0.000 2.093 1241 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 1241 L C 2.217 179.072 176.870 -0.025 0.000 1.085 1241 L CA 1.712 56.541 54.840 -0.019 0.000 0.755 1241 L CB -1.099 40.950 42.059 -0.017 0.000 0.904 1241 L HN 0.390 nan 8.230 nan 0.000 0.435 1242 F N -0.201 119.694 119.950 -0.092 0.000 2.259 1242 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 1242 F C 2.282 178.007 175.800 -0.125 0.000 1.088 1242 F CA 1.084 59.028 58.000 -0.093 0.000 1.358 1242 F CB 0.044 39.031 39.000 -0.023 0.000 1.040 1242 F HN 0.091 nan 8.300 nan 0.000 0.505 1243 E N 0.638 120.804 120.200 -0.057 0.000 2.106 1243 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 1243 E C 2.332 178.781 176.600 -0.251 0.000 0.984 1243 E CA 0.895 57.216 56.400 -0.131 0.000 0.806 1243 E CB -0.501 29.191 29.700 -0.014 0.000 0.750 1243 E HN 0.465 nan 8.360 nan 0.000 0.458 1244 L N -0.308 120.779 121.223 -0.226 0.000 2.017 1244 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 1244 L C 2.232 178.840 176.870 -0.437 0.000 1.073 1244 L CA 1.285 55.982 54.840 -0.239 0.000 0.745 1244 L CB -0.232 41.737 42.059 -0.150 0.000 0.894 1244 L HN 0.307 nan 8.230 nan 0.000 0.432 1245 M N -1.134 118.066 119.600 -0.666 0.000 2.080 1245 M HA -0.287 4.193 4.480 -0.000 0.000 0.260 1245 M C 2.290 177.776 176.300 -1.356 0.000 1.068 1245 M CA 1.783 56.329 55.300 -1.256 0.000 1.109 1245 M CB -0.572 31.126 32.600 -1.504 0.000 1.342 1245 M HN 0.139 nan 8.290 nan 0.000 0.405 1246 R N -0.042 119.893 120.500 -0.942 0.000 2.159 1246 R HA -0.109 4.230 4.340 -0.000 0.000 0.237 1246 R C 2.092 178.216 176.300 -0.294 0.000 1.131 1246 R CA 1.438 57.237 56.100 -0.502 0.000 0.982 1246 R CB -0.263 29.819 30.300 -0.363 0.000 0.868 1246 R HN 0.448 nan 8.270 nan 0.000 0.453 1247 M N -0.882 118.525 119.600 -0.322 0.000 2.098 1247 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 1247 M C 2.399 178.594 176.300 -0.176 0.000 1.072 1247 M CA 1.261 56.450 55.300 -0.185 0.000 1.133 1247 M CB -0.158 32.349 32.600 -0.156 0.000 1.344 1247 M HN 0.198 nan 8.290 nan 0.000 0.414 1248 C N -0.587 118.518 119.300 -0.325 0.000 2.409 1248 C HA -0.153 4.307 4.460 -0.000 0.000 0.284 1248 C C 1.743 176.683 174.990 -0.083 0.000 1.354 1248 C CA 0.337 59.203 59.018 -0.253 0.000 1.787 1248 C CB -1.281 26.221 27.740 -0.397 0.000 1.900 1248 C HN 0.663 nan 8.230 nan 0.000 0.520 1249 W N -0.130 121.029 121.300 -0.235 0.000 3.239 1249 W HA 0.342 5.002 4.660 -0.000 0.000 0.348 1249 W C 0.900 177.501 176.519 0.136 0.000 1.183 1249 W CA -0.726 56.426 57.345 -0.323 0.000 1.819 1249 W CB -1.118 27.941 29.460 -0.669 0.000 1.091 1249 W HN 0.283 nan 8.180 nan 0.000 0.629 1250 Q N 0.260 120.219 119.800 0.264 0.000 2.304 1250 Q HA -0.174 4.166 4.340 -0.000 0.000 0.315 1250 Q C 1.130 177.305 176.000 0.292 0.000 1.075 1250 Q CA 0.609 56.544 55.803 0.220 0.000 0.988 1250 Q CB 0.308 29.108 28.738 0.102 0.000 1.146 1250 Q HN 0.324 nan 8.270 nan 0.000 0.383 1251 Y N 3.276 123.664 120.300 0.147 0.000 2.163 1251 Y HA -0.158 4.392 4.550 -0.000 0.000 0.288 1251 Y C 0.751 176.658 175.900 0.012 0.000 1.136 1251 Y CA 1.420 59.572 58.100 0.087 0.000 1.147 1251 Y CB 0.254 38.729 38.460 0.026 0.000 0.987 1251 Y HN 0.675 nan 8.280 nan 0.000 0.509 1252 N N 1.404 120.217 118.700 0.187 0.000 2.431 1252 N HA 0.008 4.748 4.740 -0.000 0.000 0.265 1252 N C -2.116 173.350 175.510 -0.072 0.000 1.184 1252 N CA -1.575 51.502 53.050 0.046 0.000 0.943 1252 N CB 1.176 39.685 38.487 0.036 0.000 1.080 1252 N HN 0.087 nan 8.380 nan 0.000 0.477 1253 P HA -0.099 nan 4.420 nan 0.000 0.218 1253 P C 0.478 177.443 177.300 -0.557 0.000 1.148 1253 P CA 1.468 64.417 63.100 -0.252 0.000 0.822 1253 P CB 0.284 31.863 31.700 -0.201 0.000 0.784 1254 K N -1.362 118.716 120.400 -0.536 0.000 2.486 1254 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 1254 K C 1.329 177.769 176.600 -0.268 0.000 1.033 1254 K CA 0.614 56.566 56.287 -0.558 0.000 1.004 1254 K CB -0.159 32.140 32.500 -0.336 0.000 0.798 1254 K HN 0.103 nan 8.250 nan 0.000 0.495 1255 M N 0.501 119.998 119.600 -0.171 0.000 2.371 1255 M HA 0.099 4.579 4.480 -0.000 0.000 0.246 1255 M C -0.019 176.246 176.300 -0.057 0.000 1.103 1255 M CA 0.373 55.625 55.300 -0.080 0.000 1.010 1255 M CB 0.061 32.642 32.600 -0.033 0.000 1.457 1255 M HN -0.058 nan 8.290 nan 0.000 0.486 1256 R N 1.462 121.917 120.500 -0.074 0.000 2.528 1256 R HA 0.376 4.716 4.340 -0.000 0.000 0.271 1256 R C -2.065 174.210 176.300 -0.041 0.000 1.056 1256 R CA -1.344 54.735 56.100 -0.035 0.000 1.117 1256 R CB -0.019 30.289 30.300 0.014 0.000 1.085 1256 R HN 0.040 nan 8.270 nan 0.000 0.530 1257 P HA 0.037 nan 4.420 nan 0.000 0.276 1257 P C -0.700 176.542 177.300 -0.097 0.000 1.252 1257 P CA -0.442 62.620 63.100 -0.063 0.000 0.802 1257 P CB 1.124 32.776 31.700 -0.080 0.000 1.035 1258 S N -0.117 115.544 115.700 -0.064 0.000 2.669 1258 S HA 0.258 4.728 4.470 -0.000 0.000 0.270 1258 S C 1.035 175.547 174.600 -0.147 0.000 1.225 1258 S CA -0.408 57.736 58.200 -0.093 0.000 0.991 1258 S CB 0.027 63.249 63.200 0.036 0.000 0.987 1258 S HN 0.222 nan 8.310 nan 0.000 0.552 1259 F N 0.270 120.203 119.950 -0.030 0.000 2.234 1259 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 1259 F C 1.986 177.762 175.800 -0.039 0.000 1.087 1259 F CA 0.799 58.731 58.000 -0.113 0.000 1.340 1259 F CB -0.759 38.175 39.000 -0.111 0.000 1.031 1259 F HN 0.446 nan 8.300 nan 0.000 0.500 1260 L N -0.434 120.929 121.223 0.234 0.000 2.027 1260 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 1260 L C 2.334 179.272 176.870 0.114 0.000 1.074 1260 L CA 1.433 56.416 54.840 0.239 0.000 0.745 1260 L CB -0.646 41.590 42.059 0.295 0.000 0.898 1260 L HN 0.114 nan 8.230 nan 0.000 0.433 1261 E N 0.320 120.562 120.200 0.071 0.000 2.058 1261 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 1261 E C 2.252 178.833 176.600 -0.031 0.000 0.997 1261 E CA 1.391 57.806 56.400 0.024 0.000 0.801 1261 E CB -0.178 29.529 29.700 0.012 0.000 0.746 1261 E HN 0.454 nan 8.360 nan 0.000 0.450 1262 I N 1.006 121.547 120.570 -0.048 0.000 2.194 1262 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 1262 I C 2.350 178.407 176.117 -0.099 0.000 1.093 1262 I CA 1.200 62.464 61.300 -0.060 0.000 1.355 1262 I CB -0.293 37.669 38.000 -0.063 0.000 1.046 1262 I HN 0.129 nan 8.210 nan 0.000 0.413 1263 I N -0.091 120.384 120.570 -0.159 0.000 2.202 1263 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 1263 I C 2.799 178.658 176.117 -0.429 0.000 1.091 1263 I CA 1.520 62.622 61.300 -0.330 0.000 1.368 1263 I CB -0.466 37.248 38.000 -0.477 0.000 1.058 1263 I HN 0.255 nan 8.210 nan 0.000 0.410 1264 S N 0.886 116.357 115.700 -0.382 0.000 2.383 1264 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 1264 S C 2.243 176.790 174.600 -0.088 0.000 1.030 1264 S CA 2.066 60.154 58.200 -0.187 0.000 1.002 1264 S CB -0.485 62.735 63.200 0.033 0.000 0.829 1264 S HN 0.597 nan 8.310 nan 0.000 0.467 1265 S N 1.525 117.176 115.700 -0.082 0.000 2.447 1265 S HA 0.014 4.484 4.470 -0.000 0.000 0.233 1265 S C 1.655 176.220 174.600 -0.059 0.000 1.006 1265 S CA 0.859 59.029 58.200 -0.049 0.000 0.957 1265 S CB -0.811 62.364 63.200 -0.042 0.000 0.773 1265 S HN 0.901 nan 8.310 nan 0.000 0.507 1266 I N -1.595 118.915 120.570 -0.100 0.000 4.240 1266 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 1266 I C 1.702 177.737 176.117 -0.138 0.000 1.381 1266 I CA -0.497 60.741 61.300 -0.104 0.000 1.136 1266 I CB 0.065 38.000 38.000 -0.109 0.000 1.137 1266 I HN 0.122 nan 8.210 nan 0.000 0.411 1267 K N 1.624 121.939 120.400 -0.142 0.000 2.044 1267 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 1267 K C 1.450 178.062 176.600 0.020 0.000 1.049 1267 K CA 2.064 58.297 56.287 -0.091 0.000 0.927 1267 K CB -0.439 32.072 32.500 0.018 0.000 0.713 1267 K HN 0.204 nan 8.250 nan 0.000 0.443 1268 E N 0.927 121.154 120.200 0.044 0.000 2.209 1268 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 1268 E C 1.383 177.994 176.600 0.017 0.000 0.993 1268 E CA 1.308 57.741 56.400 0.054 0.000 0.819 1268 E CB -0.009 29.718 29.700 0.046 0.000 0.745 1268 E HN 0.413 nan 8.360 nan 0.000 0.477 1269 E N -0.937 119.249 120.200 -0.024 0.000 2.489 1269 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 1269 E C -0.279 176.287 176.600 -0.057 0.000 1.057 1269 E CA 0.040 56.418 56.400 -0.036 0.000 0.866 1269 E CB 0.224 29.896 29.700 -0.046 0.000 0.916 1269 E HN 0.110 nan 8.360 nan 0.000 0.500 1270 M N 1.323 120.871 119.600 -0.087 0.000 2.211 1270 M HA 0.155 4.635 4.480 -0.000 0.000 0.356 1270 M C 0.236 176.538 176.300 0.004 0.000 1.216 1270 M CA -0.065 55.159 55.300 -0.126 0.000 1.134 1270 M CB 0.560 32.934 32.600 -0.376 0.000 1.564 1270 M HN -0.019 nan 8.290 nan 0.000 0.463 1271 E N 3.216 123.436 120.200 0.032 0.000 2.467 1271 E HA -0.066 4.284 4.350 -0.000 0.000 0.264 1271 E C -1.528 175.151 176.600 0.132 0.000 1.020 1271 E CA -1.139 55.307 56.400 0.076 0.000 0.945 1271 E CB 0.024 29.774 29.700 0.082 0.000 0.942 1271 E HN 0.404 nan 8.360 nan 0.000 0.449 1272 P HA -0.265 nan 4.420 nan 0.000 0.217 1272 P C 1.423 178.804 177.300 0.135 0.000 1.162 1272 P CA 1.802 64.962 63.100 0.100 0.000 0.901 1272 P CB -0.109 31.626 31.700 0.059 0.000 0.793 1273 G N -0.860 108.016 108.800 0.127 0.000 2.606 1273 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.221 1273 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.221 1273 G C 1.392 176.380 174.900 0.147 0.000 1.152 1273 G CA 1.082 46.247 45.100 0.108 0.000 0.765 1273 G HN 0.196 nan 8.290 nan 0.000 0.595 1274 F N 1.557 121.573 119.950 0.111 0.000 2.106 1274 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 1274 F C 2.635 178.567 175.800 0.221 0.000 1.082 1274 F CA 2.394 60.513 58.000 0.197 0.000 1.244 1274 F CB -0.193 38.947 39.000 0.233 0.000 0.997 1274 F HN 0.178 nan 8.300 nan 0.000 0.486 1275 R N 0.538 121.139 120.500 0.168 0.000 2.193 1275 R HA -0.168 4.172 4.340 -0.000 0.000 0.229 1275 R C 1.439 177.681 176.300 -0.097 0.000 1.110 1275 R CA 1.731 57.806 56.100 -0.042 0.000 0.988 1275 R CB -0.289 29.842 30.300 -0.282 0.000 0.871 1275 R HN 0.642 nan 8.270 nan 0.000 0.458 1276 E N -0.962 119.181 120.200 -0.095 0.000 2.562 1276 E HA 0.008 4.358 4.350 -0.000 0.000 0.214 1276 E C 1.146 177.642 176.600 -0.172 0.000 0.979 1276 E CA 0.207 56.538 56.400 -0.114 0.000 1.002 1276 E CB 0.984 30.627 29.700 -0.095 0.000 1.048 1276 E HN 0.251 nan 8.360 nan 0.000 0.488 1277 V N -1.772 117.994 119.914 -0.246 0.000 3.572 1277 V HA 0.206 4.326 4.120 -0.000 0.000 0.260 1277 V C 0.950 176.856 176.094 -0.314 0.000 1.324 1277 V CA 0.185 62.235 62.300 -0.417 0.000 1.068 1277 V CB 0.329 31.652 31.823 -0.833 0.000 0.837 1277 V HN 0.209 nan 8.190 nan 0.000 0.450 1278 S N 0.055 115.564 115.700 -0.319 0.000 2.592 1278 S HA 0.355 4.825 4.470 -0.000 0.000 0.271 1278 S C 0.641 175.212 174.600 -0.049 0.000 1.326 1278 S CA 0.117 58.146 58.200 -0.285 0.000 1.024 1278 S CB 0.974 63.549 63.200 -1.041 0.000 0.921 1278 S HN 0.494 nan 8.310 nan 0.000 0.527 1279 F N 2.423 122.372 119.950 -0.002 0.000 2.259 1279 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 1279 F C 1.819 177.670 175.800 0.085 0.000 1.088 1279 F CA 1.021 59.059 58.000 0.064 0.000 1.358 1279 F CB -0.612 38.487 39.000 0.166 0.000 1.040 1279 F HN 0.847 nan 8.300 nan 0.000 0.505 1280 Y N -0.285 119.888 120.300 -0.211 0.000 2.181 1280 Y HA -0.265 4.285 4.550 -0.000 0.000 0.288 1280 Y C 1.262 176.901 175.900 -0.435 0.000 1.146 1280 Y CA 2.007 59.898 58.100 -0.348 0.000 1.164 1280 Y CB -0.636 37.736 38.460 -0.145 0.000 0.982 1280 Y HN 0.154 nan 8.280 nan 0.000 0.515 1281 Y N 0.246 120.419 120.300 -0.212 0.000 2.532 1281 Y HA 0.153 4.703 4.550 -0.000 0.000 0.283 1281 Y C 0.914 176.675 175.900 -0.231 0.000 1.181 1281 Y CA -0.336 57.625 58.100 -0.231 0.000 1.256 1281 Y CB 0.093 38.494 38.460 -0.098 0.000 1.112 1281 Y HN 0.011 nan 8.280 nan 0.000 0.521 1282 S N -0.864 114.729 115.700 -0.178 0.000 2.654 1282 S HA 0.161 4.631 4.470 -0.000 0.000 0.283 1282 S C 1.005 175.517 174.600 -0.146 0.000 1.180 1282 S CA -0.785 57.338 58.200 -0.129 0.000 1.021 1282 S CB 1.490 64.640 63.200 -0.084 0.000 1.018 1282 S HN 0.159 nan 8.310 nan 0.000 0.532 1283 E N 1.520 121.681 120.200 -0.064 0.000 2.204 1283 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 1283 E C 1.694 178.276 176.600 -0.030 0.000 0.990 1283 E CA 1.063 57.435 56.400 -0.046 0.000 0.821 1283 E CB -0.347 29.344 29.700 -0.015 0.000 0.750 1283 E HN 0.828 nan 8.360 nan 0.000 0.477 1284 E N 0.806 121.016 120.200 0.017 0.000 2.114 1284 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 1284 E C 1.217 177.841 176.600 0.040 0.000 1.008 1284 E CA 0.692 57.161 56.400 0.114 0.000 0.810 1284 E CB -0.081 29.822 29.700 0.337 0.000 0.739 1284 E HN 0.078 nan 8.360 nan 0.000 0.456 1285 N N 0.000 118.561 118.700 -0.231 0.000 1.763 1285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1285 N CA 0.000 52.844 53.050 -0.344 0.000 0.885 1285 N CB 0.000 37.986 38.487 -0.835 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667