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_D DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX 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 0.000 174.673 174.600 0.122 0.000 1.055 980 S CA 0.000 58.255 58.200 0.092 0.000 1.107 980 S CB 0.000 63.251 63.200 0.085 0.000 0.593 981 F N 2.927 122.886 119.950 0.015 0.000 2.467 981 F HA 0.637 5.164 4.527 0.000 0.000 0.362 981 F C 0.698 176.515 175.800 0.029 0.000 1.090 981 F CA 1.140 59.152 58.000 0.021 0.000 1.202 981 F CB 0.955 39.965 39.000 0.017 0.000 1.113 981 F HN 0.969 nan 8.300 nan 0.000 0.541 982 S N 3.466 119.049 115.700 -0.195 0.000 2.685 982 S HA 0.698 5.168 4.470 0.000 0.000 0.282 982 S C 0.445 174.969 174.600 -0.127 0.000 1.159 982 S CA -0.441 57.718 58.200 -0.067 0.000 0.833 982 S CB 1.150 64.326 63.200 -0.040 0.000 1.151 982 S HN 0.818 nan 8.310 nan 0.000 0.485 983 A N 0.865 123.691 122.820 0.010 0.000 1.986 983 A HA 0.123 4.443 4.320 0.000 0.000 0.220 983 A C 2.299 179.946 177.584 0.104 0.000 1.171 983 A CA 2.235 54.342 52.037 0.117 0.000 0.640 983 A CB -1.690 17.330 19.000 0.033 0.000 0.811 983 A HN 1.572 nan 8.150 nan 0.000 0.451 984 A N -0.316 122.501 122.820 -0.005 0.000 1.978 984 A HA -0.227 4.093 4.320 0.000 0.000 0.220 984 A C 1.811 179.352 177.584 -0.072 0.000 1.170 984 A CA 1.775 53.804 52.037 -0.013 0.000 0.636 984 A CB -0.536 18.452 19.000 -0.020 0.000 0.810 984 A HN 0.555 nan 8.150 nan 0.000 0.448 985 D N -0.876 119.393 120.400 -0.218 0.000 2.219 985 D HA -0.086 4.554 4.640 0.000 0.000 0.205 985 D C 1.912 178.059 176.300 -0.256 0.000 0.970 985 D CA 1.691 55.492 54.000 -0.332 0.000 0.851 985 D CB 0.216 40.563 40.800 -0.755 0.000 0.943 985 D HN 0.396 nan 8.370 nan 0.000 0.488 986 V N -1.202 118.580 119.914 -0.221 0.000 3.048 986 V HA -0.031 4.089 4.120 0.000 0.000 0.241 986 V C 1.390 177.348 176.094 -0.226 0.000 1.129 986 V CA 0.417 62.593 62.300 -0.207 0.000 1.128 986 V CB -0.345 31.340 31.823 -0.229 0.000 0.849 986 V HN -0.006 nan 8.190 nan 0.000 0.475 987 Y N 1.547 121.798 120.300 -0.082 0.000 2.546 987 Y HA 0.345 4.895 4.550 0.000 0.000 0.287 987 Y C 0.983 176.820 175.900 -0.105 0.000 1.158 987 Y CA 0.973 59.023 58.100 -0.083 0.000 1.307 987 Y CB 0.358 38.767 38.460 -0.085 0.000 1.036 987 Y HN 0.284 nan 8.280 nan 0.000 0.532 988 V N -1.391 118.536 119.914 0.022 0.000 2.409 988 V HA 0.584 4.704 4.120 0.000 0.000 0.291 988 V C -2.863 173.236 176.094 0.007 0.000 1.020 988 V CA -3.097 59.190 62.300 -0.022 0.000 0.848 988 V CB 1.462 33.274 31.823 -0.018 0.000 0.990 988 V HN -0.183 nan 8.190 nan 0.000 0.430 989 P HA 0.178 nan 4.420 nan 0.000 0.264 989 P C -0.528 176.858 177.300 0.142 0.000 1.193 989 P CA 0.248 63.399 63.100 0.086 0.000 0.763 989 P CB 0.132 31.921 31.700 0.149 0.000 0.810 990 D N 3.100 123.547 120.400 0.079 0.000 2.738 990 D HA -0.032 4.608 4.640 0.000 0.000 0.226 990 D C 0.658 176.997 176.300 0.066 0.000 1.070 990 D CA 0.810 54.847 54.000 0.061 0.000 1.153 990 D CB -0.362 40.455 40.800 0.028 0.000 1.141 990 D HN 0.450 nan 8.370 nan 0.000 0.459 991 E N -0.571 119.701 120.200 0.119 0.000 2.534 991 E HA 0.028 4.378 4.350 0.000 0.000 0.179 991 E C -0.065 176.406 176.600 -0.215 0.000 0.916 991 E CA -0.124 56.272 56.400 -0.006 0.000 1.354 991 E CB 0.255 29.986 29.700 0.051 0.000 1.321 991 E HN 0.379 nan 8.360 nan 0.000 0.663 992 W N 1.915 123.195 121.300 -0.033 0.000 1.948 992 W HA 0.283 4.943 4.660 0.000 0.000 0.300 992 W C 0.342 176.843 176.519 -0.030 0.000 0.890 992 W CA -0.371 56.953 57.345 -0.035 0.000 1.799 992 W CB 0.712 30.144 29.460 -0.047 0.000 1.073 992 W HN -0.086 nan 8.180 nan 0.000 0.499 993 E N 1.648 121.913 120.200 0.109 0.000 2.319 993 E HA 0.492 4.842 4.350 0.000 0.000 0.268 993 E C -0.499 176.117 176.600 0.027 0.000 1.050 993 E CA -0.516 55.922 56.400 0.064 0.000 0.878 993 E CB 1.732 31.454 29.700 0.036 0.000 1.066 993 E HN -0.097 nan 8.360 nan 0.000 0.406 994 V N 0.443 120.372 119.914 0.024 0.000 3.048 994 V HA 0.785 4.905 4.120 0.000 0.000 0.303 994 V C -1.198 174.899 176.094 0.006 0.000 1.214 994 V CA -0.445 61.859 62.300 0.007 0.000 0.984 994 V CB 1.503 33.331 31.823 0.008 0.000 1.054 994 V HN 0.835 nan 8.190 nan 0.000 0.430 995 A N 3.964 126.783 122.820 -0.002 0.000 2.409 995 A HA 0.511 4.831 4.320 0.000 0.000 0.267 995 A C 1.075 178.657 177.584 -0.004 0.000 1.127 995 A CA 0.190 52.225 52.037 -0.003 0.000 0.795 995 A CB 0.198 19.194 19.000 -0.006 0.000 1.061 995 A HN 1.165 nan 8.150 nan 0.000 0.502 996 R N 1.285 121.782 120.500 -0.005 0.000 2.261 996 R HA -0.177 4.163 4.340 0.000 0.000 0.236 996 R C 1.488 177.780 176.300 -0.014 0.000 1.141 996 R CA 1.957 58.051 56.100 -0.011 0.000 1.001 996 R CB 0.033 30.325 30.300 -0.014 0.000 0.866 996 R HN 0.918 nan 8.270 nan 0.000 0.468 997 E N 0.307 120.500 120.200 -0.011 0.000 2.152 997 E HA -0.184 4.166 4.350 0.000 0.000 0.192 997 E C 1.212 177.806 176.600 -0.011 0.000 0.983 997 E CA 0.933 57.326 56.400 -0.012 0.000 0.818 997 E CB -0.130 29.565 29.700 -0.010 0.000 0.758 997 E HN 0.377 nan 8.360 nan 0.000 0.467 998 K N 0.240 120.634 120.400 -0.010 0.000 2.365 998 K HA 0.066 4.386 4.320 0.000 0.000 0.199 998 K C 0.550 177.146 176.600 -0.007 0.000 1.045 998 K CA 0.326 56.608 56.287 -0.008 0.000 0.962 998 K CB 0.269 32.764 32.500 -0.008 0.000 0.759 998 K HN 0.087 nan 8.250 nan 0.000 0.469 999 I N 1.629 122.194 120.570 -0.009 0.000 2.353 999 I HA 0.068 4.238 4.170 0.000 0.000 0.293 999 I C 0.326 176.431 176.117 -0.020 0.000 0.992 999 I CA -0.147 61.147 61.300 -0.010 0.000 1.268 999 I CB 1.256 39.251 38.000 -0.009 0.000 1.387 999 I HN -0.096 nan 8.210 nan 0.000 0.478 1000 T N 6.812 121.356 114.554 -0.017 0.000 2.879 1000 T HA 0.665 5.015 4.350 0.000 0.000 0.290 1000 T C -0.667 174.018 174.700 -0.024 0.000 0.993 1000 T CA -0.737 61.349 62.100 -0.023 0.000 0.975 1000 T CB 0.854 69.715 68.868 -0.012 0.000 0.981 1000 T HN 0.415 nan 8.240 nan 0.000 0.439 1001 M N 4.223 123.792 119.600 -0.052 0.000 2.205 1001 M HA 0.411 4.891 4.480 0.000 0.000 0.344 1001 M C 1.061 177.359 176.300 -0.002 0.000 1.085 1001 M CA -0.870 54.398 55.300 -0.053 0.000 1.001 1001 M CB 1.936 34.402 32.600 -0.223 0.000 1.626 1001 M HN 0.727 nan 8.290 nan 0.000 0.442 1002 S N 3.048 118.783 115.700 0.059 0.000 2.541 1002 S HA 0.297 4.767 4.470 0.000 0.000 0.219 1002 S C 0.271 174.933 174.600 0.103 0.000 1.025 1002 S CA 0.190 58.428 58.200 0.063 0.000 0.917 1002 S CB 0.535 63.765 63.200 0.051 0.000 0.859 1002 S HN 0.792 nan 8.310 nan 0.000 0.584 1003 R N 0.869 121.452 120.500 0.138 0.000 2.698 1003 R HA 0.536 4.876 4.340 0.000 0.000 0.275 1003 R C -1.336 175.043 176.300 0.133 0.000 1.001 1003 R CA -0.794 55.383 56.100 0.129 0.000 0.896 1003 R CB 1.099 31.436 30.300 0.062 0.000 1.218 1003 R HN 0.124 nan 8.270 nan 0.000 0.462 1004 E N 1.784 122.007 120.200 0.038 0.000 2.442 1004 E HA -0.053 4.297 4.350 0.000 0.000 0.262 1004 E C 0.174 176.691 176.600 -0.139 0.000 1.004 1004 E CA 0.192 56.456 56.400 -0.227 0.000 0.928 1004 E CB 0.847 30.400 29.700 -0.244 0.000 0.937 1004 E HN 0.497 nan 8.360 nan 0.000 0.446 1005 L N 1.015 122.126 121.223 -0.186 0.000 2.445 1005 L HA 0.296 4.636 4.340 0.000 0.000 0.207 1005 L C 0.987 177.797 176.870 -0.100 0.000 1.053 1005 L CA 0.427 55.211 54.840 -0.094 0.000 0.841 1005 L CB 0.428 42.457 42.059 -0.050 0.000 1.074 1005 L HN 0.711 nan 8.230 nan 0.000 0.479 1006 G N -0.531 108.181 108.800 -0.147 0.000 2.328 1006 G HA2 0.215 4.175 3.960 0.000 0.000 0.295 1006 G HA3 0.215 4.175 3.960 0.000 0.000 0.295 1006 G C -1.995 172.832 174.900 -0.123 0.000 1.413 1006 G CA -0.595 44.438 45.100 -0.111 0.000 0.817 1006 G HN -0.144 nan 8.290 nan 0.000 0.546 1007 Q N 0.205 119.952 119.800 -0.088 0.000 2.314 1007 Q HA 0.593 4.933 4.340 0.000 0.000 0.257 1007 Q C 0.567 176.537 176.000 -0.051 0.000 0.975 1007 Q CA 0.474 56.232 55.803 -0.074 0.000 0.933 1007 Q CB 0.816 29.516 28.738 -0.064 0.000 1.195 1007 Q HN 0.979 nan 8.270 nan 0.000 0.426 1008 G N 1.643 110.424 108.800 -0.032 0.000 2.531 1008 G HA2 0.327 4.287 3.960 0.000 0.000 0.313 1008 G HA3 0.327 4.287 3.960 0.000 0.000 0.313 1008 G C 0.659 175.545 174.900 -0.023 0.000 1.238 1008 G CA -0.167 44.932 45.100 -0.002 0.000 0.994 1008 G HN 0.829 nan 8.290 nan 0.000 0.493 1009 S N -0.246 115.442 115.700 -0.020 0.000 2.414 1009 S HA -0.252 4.218 4.470 0.000 0.000 0.238 1009 S C 1.584 176.016 174.600 -0.280 0.000 1.055 1009 S CA 1.964 60.056 58.200 -0.181 0.000 1.174 1009 S CB -0.627 62.465 63.200 -0.182 0.000 1.087 1009 S HN 0.381 nan 8.310 nan 0.000 0.428 1010 F N 2.599 122.526 119.950 -0.039 0.000 2.641 1010 F HA 0.588 5.115 4.527 0.000 0.000 0.302 1010 F C 1.397 177.056 175.800 -0.236 0.000 1.098 1010 F CA 0.192 58.080 58.000 -0.187 0.000 1.318 1010 F CB 0.678 39.415 39.000 -0.438 0.000 1.035 1010 F HN 0.690 nan 8.300 nan 0.000 0.551 1011 G N -0.192 108.601 108.800 -0.012 0.000 2.323 1011 G HA2 0.328 4.288 3.960 0.000 0.000 0.291 1011 G HA3 0.328 4.288 3.960 0.000 0.000 0.291 1011 G C -1.827 173.075 174.900 0.002 0.000 1.278 1011 G CA -1.098 43.990 45.100 -0.019 0.000 0.860 1011 G HN -0.121 nan 8.290 nan 0.000 0.504 1012 M N 0.962 120.578 119.600 0.027 0.000 2.233 1012 M HA 0.691 5.171 4.480 0.000 0.000 0.355 1012 M C -0.409 175.877 176.300 -0.023 0.000 1.191 1012 M CA -0.488 54.786 55.300 -0.043 0.000 1.101 1012 M CB 1.418 33.980 32.600 -0.063 0.000 1.592 1012 M HN 0.420 nan 8.290 nan 0.000 0.461 1013 V N 6.376 126.203 119.914 -0.145 0.000 2.532 1013 V HA 0.475 4.595 4.120 0.000 0.000 0.295 1013 V C -0.973 174.974 176.094 -0.246 0.000 1.041 1013 V CA -0.422 61.849 62.300 -0.048 0.000 0.926 1013 V CB 1.111 32.931 31.823 -0.004 0.000 0.992 1013 V HN 0.822 nan 8.190 nan 0.000 0.457 1014 Y N 1.119 121.434 120.300 0.025 0.000 2.545 1014 Y HA 0.494 5.044 4.550 0.000 0.000 0.348 1014 Y C 0.172 176.084 175.900 0.020 0.000 1.002 1014 Y CA -0.803 57.309 58.100 0.019 0.000 1.039 1014 Y CB 1.763 40.234 38.460 0.017 0.000 1.271 1014 Y HN 0.601 nan 8.280 nan 0.000 0.467 1015 E N 0.947 121.246 120.200 0.164 0.000 2.277 1015 E HA 0.682 5.032 4.350 0.000 0.000 0.274 1015 E C -0.425 176.238 176.600 0.105 0.000 1.022 1015 E CA -0.330 56.133 56.400 0.104 0.000 0.853 1015 E CB 1.403 31.139 29.700 0.060 0.000 1.086 1015 E HN 0.905 nan 8.360 nan 0.000 0.397 1016 G N 1.069 109.910 108.800 0.070 0.000 2.494 1016 G HA2 0.384 4.344 3.960 0.000 0.000 0.308 1016 G HA3 0.384 4.344 3.960 0.000 0.000 0.308 1016 G C -1.514 173.405 174.900 0.032 0.000 1.263 1016 G CA -0.426 44.703 45.100 0.048 0.000 0.840 1016 G HN 0.444 nan 8.290 nan 0.000 0.479 1017 V N -0.076 119.850 119.914 0.020 0.000 2.680 1017 V HA 0.811 4.931 4.120 0.000 0.000 0.309 1017 V C 0.104 176.205 176.094 0.011 0.000 1.052 1017 V CA -0.393 61.916 62.300 0.015 0.000 0.908 1017 V CB 1.507 33.336 31.823 0.009 0.000 1.001 1017 V HN 1.593 nan 8.190 nan 0.000 0.431 1018 A N 3.561 126.387 122.820 0.011 0.000 2.323 1018 A HA 0.621 4.941 4.320 0.000 0.000 0.305 1018 A C -0.200 177.385 177.584 0.001 0.000 1.275 1018 A CA -0.760 51.281 52.037 0.007 0.000 0.804 1018 A CB 0.364 19.373 19.000 0.014 0.000 1.152 1018 A HN 0.833 nan 8.150 nan 0.000 0.487 1019 K N 1.312 121.710 120.400 -0.003 0.000 2.379 1019 K HA 0.422 4.742 4.320 0.000 0.000 0.284 1019 K C 1.020 177.613 176.600 -0.011 0.000 1.044 1019 K CA 0.706 56.989 56.287 -0.007 0.000 0.974 1019 K CB 0.609 33.104 32.500 -0.007 0.000 0.962 1019 K HN 1.447 nan 8.250 nan 0.000 0.474 1020 G N 1.628 110.420 108.800 -0.014 0.000 2.221 1020 G HA2 -0.257 3.703 3.960 0.000 0.000 0.265 1020 G HA3 -0.257 3.703 3.960 0.000 0.000 0.265 1020 G C 0.451 175.334 174.900 -0.028 0.000 1.041 1020 G CA 0.394 45.482 45.100 -0.021 0.000 0.807 1020 G HN 0.553 nan 8.290 nan 0.000 0.502 1021 V N -1.302 118.597 119.914 -0.025 0.000 2.672 1021 V HA 0.374 4.494 4.120 0.000 0.000 0.242 1021 V C 1.375 177.444 176.094 -0.041 0.000 1.059 1021 V CA 1.525 63.805 62.300 -0.033 0.000 1.081 1021 V CB 0.454 32.268 31.823 -0.016 0.000 0.752 1021 V HN 0.492 nan 8.190 nan 0.000 0.472 1022 V N 2.820 122.717 119.914 -0.029 0.000 2.461 1022 V HA 0.353 4.473 4.120 0.000 0.000 0.275 1022 V C 0.025 176.099 176.094 -0.035 0.000 1.047 1022 V CA -0.867 61.415 62.300 -0.030 0.000 0.955 1022 V CB 0.797 32.610 31.823 -0.018 0.000 0.988 1022 V HN 0.503 nan 8.190 nan 0.000 0.471 1023 K N 4.231 124.605 120.400 -0.043 0.000 2.437 1023 K HA 0.150 4.470 4.320 0.000 0.000 0.277 1023 K C 0.244 176.825 176.600 -0.033 0.000 1.073 1023 K CA 0.523 56.786 56.287 -0.041 0.000 1.105 1023 K CB -0.377 32.095 32.500 -0.046 0.000 0.881 1023 K HN 0.741 nan 8.250 nan 0.000 0.475 1024 D N 1.021 121.404 120.400 -0.029 0.000 2.981 1024 D HA -0.159 4.481 4.640 0.000 0.000 0.203 1024 D C -0.838 175.450 176.300 -0.019 0.000 1.049 1024 D CA 0.993 54.979 54.000 -0.024 0.000 1.003 1024 D CB -1.141 39.645 40.800 -0.024 0.000 1.085 1024 D HN 0.714 nan 8.370 nan 0.000 0.432 1025 E N -0.237 119.952 120.200 -0.019 0.000 2.145 1025 E HA 0.271 4.621 4.350 0.000 0.000 0.262 1025 E C -1.824 174.768 176.600 -0.013 0.000 0.883 1025 E CA -1.862 54.530 56.400 -0.014 0.000 0.748 1025 E CB 1.704 31.397 29.700 -0.012 0.000 1.140 1025 E HN -0.112 nan 8.360 nan 0.000 0.417 1026 P HA -0.172 nan 4.420 nan 0.000 0.216 1026 P C -0.567 176.728 177.300 -0.009 0.000 1.150 1026 P CA 1.364 64.457 63.100 -0.010 0.000 0.843 1026 P CB 0.356 32.051 31.700 -0.008 0.000 0.787 1027 E N -2.817 117.379 120.200 -0.006 0.000 2.416 1027 E HA 0.566 4.916 4.350 0.000 0.000 0.273 1027 E C -0.929 175.670 176.600 -0.001 0.000 0.935 1027 E CA -0.735 55.663 56.400 -0.003 0.000 0.784 1027 E CB 2.087 31.787 29.700 -0.001 0.000 1.301 1027 E HN -0.334 nan 8.360 nan 0.000 0.454 1028 T N 0.828 115.384 114.554 0.003 0.000 2.993 1028 T HA 0.339 4.689 4.350 0.000 0.000 0.312 1028 T C -0.836 173.871 174.700 0.012 0.000 1.115 1028 T CA -0.828 61.275 62.100 0.006 0.000 1.027 1028 T CB 1.273 70.144 68.868 0.006 0.000 1.116 1028 T HN 0.241 nan 8.240 nan 0.000 0.464 1029 R N 1.696 122.203 120.500 0.013 0.000 2.389 1029 R HA 0.583 4.923 4.340 0.000 0.000 0.295 1029 R C -0.042 176.273 176.300 0.024 0.000 1.075 1029 R CA -0.388 55.723 56.100 0.017 0.000 1.005 1029 R CB 0.536 30.844 30.300 0.013 0.000 0.987 1029 R HN 0.501 nan 8.270 nan 0.000 0.452 1030 V N -1.032 118.902 119.914 0.033 0.000 3.159 1030 V HA 0.843 4.963 4.120 0.000 0.000 0.308 1030 V C -0.634 175.493 176.094 0.056 0.000 1.190 1030 V CA -1.342 60.984 62.300 0.043 0.000 1.037 1030 V CB 1.974 33.825 31.823 0.046 0.000 1.060 1030 V HN 0.786 nan 8.190 nan 0.000 0.437 1031 A N 2.828 125.687 122.820 0.066 0.000 2.301 1031 A HA 0.877 5.197 4.320 0.000 0.000 0.312 1031 A C -0.450 177.198 177.584 0.107 0.000 1.182 1031 A CA -0.635 51.453 52.037 0.085 0.000 0.826 1031 A CB 0.448 19.494 19.000 0.075 0.000 1.134 1031 A HN 0.867 nan 8.150 nan 0.000 0.501 1032 I N 1.831 122.489 120.570 0.146 0.000 2.418 1032 I HA 0.393 4.563 4.170 0.000 0.000 0.287 1032 I C -0.057 176.197 176.117 0.230 0.000 1.008 1032 I CA -0.435 60.958 61.300 0.156 0.000 1.104 1032 I CB 1.377 39.444 38.000 0.112 0.000 1.264 1032 I HN 0.769 nan 8.210 nan 0.000 0.438 1033 K N 4.894 125.414 120.400 0.199 0.000 2.159 1033 K HA 0.587 4.907 4.320 0.000 0.000 0.266 1033 K C -0.373 176.329 176.600 0.170 0.000 0.975 1033 K CA -0.268 56.148 56.287 0.215 0.000 0.865 1033 K CB 1.459 34.092 32.500 0.221 0.000 1.087 1033 K HN 0.779 nan 8.250 nan 0.000 0.446 1034 T N 0.016 114.671 114.554 0.169 0.000 2.779 1034 T HA 0.406 4.756 4.350 0.000 0.000 0.280 1034 T C -0.315 174.383 174.700 -0.004 0.000 0.987 1034 T CA -0.905 61.242 62.100 0.077 0.000 0.966 1034 T CB 1.222 70.140 68.868 0.083 0.000 0.933 1034 T HN 0.202 nan 8.240 nan 0.000 0.442 1035 V N 4.889 124.750 119.914 -0.087 0.000 2.333 1035 V HA 0.354 4.474 4.120 0.000 0.000 0.274 1035 V C 0.947 176.991 176.094 -0.084 0.000 1.028 1035 V CA -1.280 60.917 62.300 -0.171 0.000 0.851 1035 V CB 0.046 31.655 31.823 -0.357 0.000 1.000 1035 V HN 1.038 nan 8.190 nan 0.000 0.456 1036 N N 3.008 121.677 118.700 -0.051 0.000 2.371 1036 N HA 0.099 4.839 4.740 0.000 0.000 0.243 1036 N C 0.584 176.077 175.510 -0.029 0.000 1.287 1036 N CA -0.459 52.575 53.050 -0.025 0.000 0.911 1036 N CB 1.646 40.128 38.487 -0.008 0.000 1.142 1036 N HN 0.648 nan 8.380 nan 0.000 0.451 1037 E N 0.444 120.635 120.200 -0.016 0.000 2.058 1037 E HA -0.178 4.172 4.350 0.000 0.000 0.194 1037 E C 1.106 177.701 176.600 -0.008 0.000 0.997 1037 E CA 1.508 57.902 56.400 -0.010 0.000 0.801 1037 E CB -0.263 29.436 29.700 -0.001 0.000 0.746 1037 E HN 0.763 nan 8.360 nan 0.000 0.450 1038 A N 0.723 123.540 122.820 -0.005 0.000 2.167 1038 A HA 0.200 4.520 4.320 0.000 0.000 0.220 1038 A C 0.174 177.755 177.584 -0.004 0.000 1.548 1038 A CA 0.748 52.784 52.037 -0.003 0.000 1.583 1038 A CB -0.764 18.235 19.000 -0.001 0.000 0.761 1038 A HN 0.182 nan 8.150 nan 0.000 0.627 1039 A N 0.378 123.193 122.820 -0.007 0.000 2.359 1039 A HA 0.636 4.956 4.320 0.000 0.000 0.303 1039 A C 0.428 178.013 177.584 0.002 0.000 1.066 1039 A CA 0.099 52.134 52.037 -0.003 0.000 0.730 1039 A CB 0.576 19.564 19.000 -0.021 0.000 1.211 1039 A HN 1.212 nan 8.150 nan 0.000 0.439 1040 S N 2.677 118.385 115.700 0.013 0.000 2.572 1040 S HA 0.069 4.539 4.470 0.000 0.000 0.267 1040 S C 1.281 175.884 174.600 0.004 0.000 1.361 1040 S CA 0.616 58.824 58.200 0.013 0.000 1.009 1040 S CB 0.114 63.325 63.200 0.019 0.000 0.888 1040 S HN 0.921 nan 8.310 nan 0.000 0.553 1041 M N 0.876 120.479 119.600 0.005 0.000 2.175 1041 M HA -0.073 4.407 4.480 0.000 0.000 0.264 1041 M C 2.483 178.763 176.300 -0.034 0.000 1.063 1041 M CA 1.228 56.523 55.300 -0.008 0.000 1.119 1041 M CB -0.219 32.390 32.600 0.015 0.000 1.377 1041 M HN 0.785 nan 8.290 nan 0.000 0.415 1042 R N 0.335 120.826 120.500 -0.014 0.000 2.103 1042 R HA -0.171 4.169 4.340 0.000 0.000 0.234 1042 R C 2.032 178.328 176.300 -0.007 0.000 1.132 1042 R CA 2.111 58.201 56.100 -0.017 0.000 0.925 1042 R CB -0.656 29.650 30.300 0.010 0.000 0.842 1042 R HN 0.480 nan 8.270 nan 0.000 0.430 1043 E N 0.221 120.449 120.200 0.045 0.000 2.065 1043 E HA -0.283 4.067 4.350 0.000 0.000 0.201 1043 E C 2.027 178.646 176.600 0.032 0.000 1.016 1043 E CA 1.246 57.726 56.400 0.135 0.000 0.818 1043 E CB -0.424 29.375 29.700 0.165 0.000 0.749 1043 E HN 0.315 nan 8.360 nan 0.000 0.453 1044 R N 0.620 121.099 120.500 -0.035 0.000 2.081 1044 R HA -0.093 4.247 4.340 0.000 0.000 0.235 1044 R C 2.534 178.754 176.300 -0.134 0.000 1.131 1044 R CA 1.051 57.095 56.100 -0.093 0.000 0.960 1044 R CB -0.153 30.104 30.300 -0.071 0.000 0.856 1044 R HN 0.166 nan 8.270 nan 0.000 0.436 1045 I N 0.317 120.768 120.570 -0.198 0.000 2.252 1045 I HA -0.219 3.951 4.170 0.000 0.000 0.245 1045 I C 2.425 178.350 176.117 -0.321 0.000 1.102 1045 I CA 1.171 62.240 61.300 -0.384 0.000 1.385 1045 I CB -0.494 37.214 38.000 -0.487 0.000 1.064 1045 I HN 0.368 nan 8.210 nan 0.000 0.414 1046 E N 0.982 121.068 120.200 -0.189 0.000 2.051 1046 E HA -0.275 4.075 4.350 0.000 0.000 0.192 1046 E C 2.188 178.636 176.600 -0.254 0.000 0.991 1046 E CA 1.507 57.827 56.400 -0.134 0.000 0.799 1046 E CB -0.155 29.561 29.700 0.027 0.000 0.748 1046 E HN 0.390 nan 8.360 nan 0.000 0.449 1047 F N 1.397 120.942 119.950 -0.675 0.000 2.120 1047 F HA -0.268 4.259 4.527 0.000 0.000 0.300 1047 F C 1.847 177.318 175.800 -0.549 0.000 1.095 1047 F CA 1.161 58.495 58.000 -1.111 0.000 1.249 1047 F CB -0.124 37.945 39.000 -1.551 0.000 0.995 1047 F HN 0.018 nan 8.300 nan 0.000 0.480 1048 L N 0.452 121.387 121.223 -0.480 0.000 2.027 1048 L HA -0.196 4.144 4.340 0.000 0.000 0.206 1048 L C 2.073 178.702 176.870 -0.402 0.000 1.074 1048 L CA 1.872 56.441 54.840 -0.452 0.000 0.745 1048 L CB -2.110 39.819 42.059 -0.217 0.000 0.898 1048 L HN 0.257 nan 8.230 nan 0.000 0.433 1049 N N -0.241 118.274 118.700 -0.308 0.000 2.272 1049 N HA -0.235 4.505 4.740 0.000 0.000 0.185 1049 N C 1.807 177.171 175.510 -0.243 0.000 1.014 1049 N CA 0.998 53.913 53.050 -0.226 0.000 0.870 1049 N CB 0.035 38.427 38.487 -0.158 0.000 0.975 1049 N HN 0.475 nan 8.380 nan 0.000 0.433 1050 E N 0.970 121.001 120.200 -0.281 0.000 2.047 1050 E HA -0.119 4.231 4.350 0.000 0.000 0.191 1050 E C 1.908 178.321 176.600 -0.312 0.000 0.987 1050 E CA 0.996 57.253 56.400 -0.237 0.000 0.799 1050 E CB -0.046 29.557 29.700 -0.162 0.000 0.752 1050 E HN 0.355 nan 8.360 nan 0.000 0.449 1051 A N 0.433 122.987 122.820 -0.443 0.000 2.067 1051 A HA -0.114 4.206 4.320 0.000 0.000 0.219 1051 A C 2.252 179.558 177.584 -0.463 0.000 1.158 1051 A CA 1.439 53.213 52.037 -0.439 0.000 0.661 1051 A CB -0.616 18.072 19.000 -0.521 0.000 0.801 1051 A HN 0.316 nan 8.150 nan 0.000 0.452 1052 S N -0.845 114.602 115.700 -0.421 0.000 2.447 1052 S HA -0.077 4.393 4.470 0.000 0.000 0.233 1052 S C 1.725 176.047 174.600 -0.464 0.000 1.006 1052 S CA 1.407 59.357 58.200 -0.417 0.000 0.957 1052 S CB -0.321 62.711 63.200 -0.280 0.000 0.773 1052 S HN 0.322 nan 8.310 nan 0.000 0.507 1053 V N 2.270 121.895 119.914 -0.481 0.000 2.379 1053 V HA -0.079 4.041 4.120 0.000 0.000 0.243 1053 V C 2.445 177.884 176.094 -1.091 0.000 1.035 1053 V CA 1.336 63.247 62.300 -0.648 0.000 1.035 1053 V CB -0.526 30.970 31.823 -0.544 0.000 0.673 1053 V HN 0.462 nan 8.190 nan 0.000 0.457 1054 M N 0.926 119.989 119.600 -0.895 0.000 2.308 1054 M HA -0.338 4.142 4.480 0.000 0.000 0.257 1054 M C 2.595 178.443 176.300 -0.754 0.000 1.070 1054 M CA 3.178 57.987 55.300 -0.818 0.000 1.080 1054 M CB -1.653 30.732 32.600 -0.359 0.000 1.274 1054 M HN 0.461 nan 8.290 nan 0.000 0.434 1055 K N 0.544 120.520 120.400 -0.708 0.000 2.184 1055 K HA -0.286 4.034 4.320 0.000 0.000 0.210 1055 K C 1.677 178.085 176.600 -0.320 0.000 1.048 1055 K CA 2.572 58.376 56.287 -0.804 0.000 0.931 1055 K CB -1.642 29.872 32.500 -1.643 0.000 0.718 1055 K HN 0.642 nan 8.250 nan 0.000 0.465 1056 E N -0.661 119.258 120.200 -0.469 0.000 2.033 1056 E HA -0.099 4.251 4.350 0.000 0.000 0.199 1056 E C 0.150 176.739 176.600 -0.018 0.000 1.011 1056 E CA 1.021 57.263 56.400 -0.264 0.000 0.815 1056 E CB -0.343 29.112 29.700 -0.409 0.000 0.755 1056 E HN 0.575 nan 8.360 nan 0.000 0.451 1057 F N 1.384 121.304 119.950 -0.049 0.000 2.557 1057 F HA 0.128 4.655 4.527 0.000 0.000 0.384 1057 F C 0.424 176.282 175.800 0.095 0.000 1.057 1057 F CA 0.015 58.082 58.000 0.111 0.000 1.169 1057 F CB -0.567 38.390 39.000 -0.072 0.000 1.070 1057 F HN 0.068 nan 8.300 nan 0.000 0.554 1058 N N 3.429 122.309 118.700 0.300 0.000 2.682 1058 N HA 0.450 5.191 4.740 0.000 0.000 0.252 1058 N C -1.740 173.609 175.510 -0.268 0.000 1.081 1058 N CA -0.252 52.834 53.050 0.061 0.000 0.844 1058 N CB 0.691 39.245 38.487 0.112 0.000 1.167 1058 N HN 0.684 nan 8.380 nan 0.000 0.523 1059 C N 2.646 121.732 119.300 -0.356 0.000 2.797 1059 C HA 0.352 4.812 4.460 0.000 0.000 0.306 1059 C C 1.347 176.227 174.990 -0.183 0.000 1.207 1059 C CA -0.468 58.251 59.018 -0.499 0.000 1.507 1059 C CB 1.086 28.255 27.740 -0.951 0.000 2.028 1059 C HN 0.949 nan 8.230 nan 0.000 0.475 1060 H N 1.171 120.060 119.070 -0.303 0.000 2.491 1060 H HA 0.054 4.610 4.556 0.000 0.000 0.290 1060 H C 1.013 176.106 175.328 -0.392 0.000 1.050 1060 H CA 2.103 57.936 56.048 -0.358 0.000 1.309 1060 H CB -0.093 29.383 29.762 -0.476 0.000 1.392 1060 H HN 0.846 nan 8.280 nan 0.000 0.554 1061 H N -1.374 117.641 119.070 -0.092 0.000 2.528 1061 H HA 0.359 4.915 4.556 0.000 0.000 0.282 1061 H C -0.515 174.792 175.328 -0.035 0.000 1.097 1061 H CA -0.216 55.767 56.048 -0.110 0.000 1.121 1061 H CB 0.835 30.568 29.762 -0.049 0.000 1.590 1061 H HN -0.014 nan 8.280 nan 0.000 0.553 1062 V N 1.617 121.560 119.914 0.049 0.000 2.555 1062 V HA 0.145 4.265 4.120 0.000 0.000 0.302 1062 V C 0.188 176.364 176.094 0.137 0.000 1.038 1062 V CA -1.121 61.257 62.300 0.130 0.000 0.887 1062 V CB 2.305 34.201 31.823 0.122 0.000 0.991 1062 V HN 0.010 nan 8.190 nan 0.000 0.434 1063 V N 5.115 125.134 119.914 0.175 0.000 2.529 1063 V HA 0.154 4.274 4.120 0.000 0.000 0.292 1063 V C 0.679 176.877 176.094 0.173 0.000 1.028 1063 V CA 0.068 62.452 62.300 0.141 0.000 1.074 1063 V CB 0.219 32.109 31.823 0.111 0.000 0.958 1063 V HN 0.797 nan 8.190 nan 0.000 0.481 1064 R N 3.848 124.425 120.500 0.129 0.000 2.349 1064 R HA 0.475 4.815 4.340 0.000 0.000 0.299 1064 R C -0.525 175.853 176.300 0.130 0.000 1.027 1064 R CA -0.756 55.423 56.100 0.132 0.000 0.958 1064 R CB 0.963 31.327 30.300 0.106 0.000 1.047 1064 R HN 0.715 nan 8.270 nan 0.000 0.468 1065 L N 5.876 127.184 121.223 0.141 0.000 2.313 1065 L HA 0.134 4.474 4.340 0.000 0.000 0.282 1065 L C 0.629 177.645 176.870 0.244 0.000 1.092 1065 L CA -0.093 54.835 54.840 0.147 0.000 0.831 1065 L CB 0.718 42.810 42.059 0.055 0.000 1.159 1065 L HN 0.803 nan 8.230 nan 0.000 0.442 1066 L N 4.842 126.171 121.223 0.178 0.000 2.145 1066 L HA 0.381 4.721 4.340 0.000 0.000 0.201 1066 L C 1.015 177.993 176.870 0.179 0.000 1.075 1066 L CA 0.695 55.619 54.840 0.140 0.000 0.773 1066 L CB -0.300 41.804 42.059 0.076 0.000 0.936 1066 L HN 0.812 nan 8.230 nan 0.000 0.451 1067 G N -1.007 107.915 108.800 0.204 0.000 2.328 1067 G HA2 0.364 4.324 3.960 0.000 0.000 0.295 1067 G HA3 0.364 4.324 3.960 0.000 0.000 0.295 1067 G C -2.140 172.855 174.900 0.158 0.000 1.413 1067 G CA -0.077 45.165 45.100 0.236 0.000 0.817 1067 G HN -0.181 nan 8.290 nan 0.000 0.546 1068 V N -0.243 119.760 119.914 0.149 0.000 2.638 1068 V HA 0.746 4.866 4.120 0.000 0.000 0.306 1068 V C -0.620 175.519 176.094 0.076 0.000 1.052 1068 V CA -0.762 61.596 62.300 0.097 0.000 0.885 1068 V CB 1.643 33.507 31.823 0.069 0.000 0.999 1068 V HN 0.975 nan 8.190 nan 0.000 0.424 1069 V N 6.953 126.901 119.914 0.056 0.000 2.427 1069 V HA 0.308 4.428 4.120 0.000 0.000 0.268 1069 V C 1.286 177.396 176.094 0.026 0.000 1.046 1069 V CA 0.799 63.119 62.300 0.034 0.000 0.970 1069 V CB 0.595 32.431 31.823 0.021 0.000 1.001 1069 V HN 1.139 nan 8.190 nan 0.000 0.476 1070 S N 3.143 118.852 115.700 0.014 0.000 2.502 1070 S HA 0.121 4.591 4.470 0.000 0.000 0.228 1070 S C 0.681 175.266 174.600 -0.024 0.000 1.061 1070 S CA -0.272 57.925 58.200 -0.005 0.000 0.935 1070 S CB -0.037 63.154 63.200 -0.014 0.000 0.809 1070 S HN 0.717 nan 8.310 nan 0.000 0.510 1071 Q N 1.809 121.598 119.800 -0.018 0.000 2.297 1071 Q HA 0.536 4.876 4.340 0.000 0.000 0.267 1071 Q C 0.304 176.298 176.000 -0.010 0.000 1.006 1071 Q CA 0.392 56.185 55.803 -0.017 0.000 0.896 1071 Q CB 0.804 29.537 28.738 -0.007 0.000 1.186 1071 Q HN 0.657 nan 8.270 nan 0.000 0.392 1072 G N 1.256 110.051 108.800 -0.009 0.000 2.343 1072 G HA2 -0.151 3.809 3.960 0.000 0.000 0.465 1072 G HA3 -0.151 3.809 3.960 0.000 0.000 0.465 1072 G C -0.242 174.654 174.900 -0.007 0.000 1.282 1072 G CA -0.684 44.413 45.100 -0.006 0.000 0.996 1072 G HN 0.533 nan 8.290 nan 0.000 0.521 1073 Q N -0.451 119.345 119.800 -0.008 0.000 2.200 1073 Q HA 0.106 4.446 4.340 0.000 0.000 0.197 1073 Q C -1.541 174.451 176.000 -0.012 0.000 0.953 1073 Q CA 1.026 56.825 55.803 -0.007 0.000 0.851 1073 Q CB -0.141 28.594 28.738 -0.005 0.000 0.938 1073 Q HN 0.451 nan 8.270 nan 0.000 0.488 1074 P HA 0.166 nan 4.420 nan 0.000 0.297 1074 P C -1.145 176.146 177.300 -0.015 0.000 1.319 1074 P CA 0.027 63.114 63.100 -0.021 0.000 0.810 1074 P CB 1.376 33.058 31.700 -0.029 0.000 0.947 1075 T N 3.951 118.497 114.554 -0.012 0.000 2.870 1075 T HA 0.266 4.616 4.350 0.000 0.000 0.300 1075 T C 0.342 175.064 174.700 0.037 0.000 0.989 1075 T CA -0.054 62.054 62.100 0.014 0.000 1.139 1075 T CB 0.017 68.903 68.868 0.030 0.000 0.920 1075 T HN 0.194 nan 8.240 nan 0.000 0.537 1076 L N 3.626 124.880 121.223 0.052 0.000 2.295 1076 L HA 0.562 4.903 4.340 0.000 0.000 0.285 1076 L C -0.412 176.526 176.870 0.114 0.000 1.035 1076 L CA -1.065 53.817 54.840 0.069 0.000 0.806 1076 L CB 1.532 43.613 42.059 0.037 0.000 1.214 1076 L HN 0.353 nan 8.230 nan 0.000 0.426 1077 V N 4.270 124.279 119.914 0.158 0.000 2.417 1077 V HA 0.412 4.532 4.120 0.000 0.000 0.291 1077 V C -0.132 176.036 176.094 0.124 0.000 1.024 1077 V CA -0.493 61.898 62.300 0.151 0.000 0.861 1077 V CB 1.832 33.781 31.823 0.210 0.000 0.985 1077 V HN 0.449 nan 8.190 nan 0.000 0.436 1078 I N 6.041 126.672 120.570 0.102 0.000 2.330 1078 I HA 0.483 4.653 4.170 0.000 0.000 0.289 1078 I C 0.099 176.273 176.117 0.094 0.000 1.001 1078 I CA 0.119 61.474 61.300 0.092 0.000 1.193 1078 I CB 1.257 39.302 38.000 0.074 0.000 1.345 1078 I HN 0.407 nan 8.210 nan 0.000 0.461 1079 M N 4.141 123.795 119.600 0.091 0.000 2.664 1079 M HA 0.361 4.841 4.480 0.000 0.000 0.314 1079 M C 0.128 176.473 176.300 0.075 0.000 1.200 1079 M CA -0.808 54.545 55.300 0.088 0.000 0.916 1079 M CB 1.674 34.328 32.600 0.089 0.000 1.717 1079 M HN 0.578 nan 8.290 nan 0.000 0.470 1080 E N 1.418 121.662 120.200 0.074 0.000 2.508 1080 E HA -0.008 4.342 4.350 0.000 0.000 0.266 1080 E C -1.237 175.391 176.600 0.048 0.000 1.010 1080 E CA 0.082 56.517 56.400 0.059 0.000 0.955 1080 E CB 0.653 30.390 29.700 0.063 0.000 0.946 1080 E HN 0.533 nan 8.360 nan 0.000 0.454 1081 L N 4.764 126.008 121.223 0.035 0.000 2.292 1081 L HA 0.228 4.568 4.340 0.000 0.000 0.284 1081 L C -0.582 176.292 176.870 0.005 0.000 1.065 1081 L CA -0.606 54.247 54.840 0.023 0.000 0.806 1081 L CB 0.964 43.033 42.059 0.018 0.000 1.175 1081 L HN 0.701 nan 8.230 nan 0.000 0.431 1082 M N 4.270 123.866 119.600 -0.006 0.000 2.016 1082 M HA 0.155 4.635 4.480 0.000 0.000 0.315 1082 M C 1.105 177.371 176.300 -0.056 0.000 0.930 1082 M CA -0.442 54.837 55.300 -0.035 0.000 0.899 1082 M CB 0.642 33.225 32.600 -0.028 0.000 1.401 1082 M HN 0.602 nan 8.290 nan 0.000 0.386 1083 T N -0.706 113.801 114.554 -0.078 0.000 2.897 1083 T HA -0.108 4.242 4.350 0.000 0.000 0.271 1083 T C 1.435 176.076 174.700 -0.099 0.000 1.084 1083 T CA 1.223 63.274 62.100 -0.081 0.000 1.123 1083 T CB -0.040 68.772 68.868 -0.094 0.000 0.865 1083 T HN 0.583 nan 8.240 nan 0.000 0.496 1084 R N 0.915 121.325 120.500 -0.149 0.000 2.359 1084 R HA 0.449 4.789 4.340 0.000 0.000 0.231 1084 R C 1.516 177.776 176.300 -0.068 0.000 0.913 1084 R CA 0.214 56.221 56.100 -0.154 0.000 1.075 1084 R CB 0.080 30.172 30.300 -0.347 0.000 1.087 1084 R HN 0.576 nan 8.270 nan 0.000 0.515 1085 G N 1.946 110.718 108.800 -0.047 0.000 2.645 1085 G HA2 -0.298 3.662 3.960 0.000 0.000 0.246 1085 G HA3 -0.298 3.662 3.960 0.000 0.000 0.246 1085 G C -0.826 174.075 174.900 0.001 0.000 1.322 1085 G CA -0.153 44.941 45.100 -0.009 0.000 0.898 1085 G HN 0.454 nan 8.290 nan 0.000 0.573 1086 D N 0.060 120.475 120.400 0.025 0.000 2.341 1086 D HA 0.309 4.949 4.640 0.000 0.000 0.245 1086 D C 1.649 177.999 176.300 0.082 0.000 1.106 1086 D CA -0.385 53.633 54.000 0.030 0.000 0.905 1086 D CB 1.458 42.268 40.800 0.016 0.000 1.202 1086 D HN 0.613 nan 8.370 nan 0.000 0.426 1087 L N 1.407 122.678 121.223 0.080 0.000 2.127 1087 L HA -0.198 4.142 4.340 0.000 0.000 0.211 1087 L C 2.195 179.169 176.870 0.172 0.000 1.089 1087 L CA 1.799 56.730 54.840 0.152 0.000 0.757 1087 L CB -0.679 41.444 42.059 0.107 0.000 0.899 1087 L HN 0.527 nan 8.230 nan 0.000 0.434 1088 K N -0.599 119.866 120.400 0.108 0.000 1.973 1088 K HA -0.159 4.161 4.320 0.000 0.000 0.212 1088 K C 1.999 178.651 176.600 0.086 0.000 1.047 1088 K CA 1.954 58.298 56.287 0.095 0.000 0.937 1088 K CB -0.234 32.308 32.500 0.070 0.000 0.721 1088 K HN 0.574 nan 8.250 nan 0.000 0.440 1089 S N -0.221 115.530 115.700 0.084 0.000 2.481 1089 S HA -0.130 4.340 4.470 0.000 0.000 0.231 1089 S C 1.829 176.484 174.600 0.091 0.000 0.996 1089 S CA 0.547 58.787 58.200 0.067 0.000 0.942 1089 S CB -0.503 62.729 63.200 0.053 0.000 0.768 1089 S HN 0.468 nan 8.310 nan 0.000 0.520 1090 Y N 2.595 122.911 120.300 0.026 0.000 2.184 1090 Y HA 0.118 4.668 4.550 0.000 0.000 0.290 1090 Y C 1.797 177.723 175.900 0.042 0.000 1.129 1090 Y CA 0.918 59.041 58.100 0.039 0.000 1.144 1090 Y CB -0.544 37.945 38.460 0.047 0.000 0.995 1090 Y HN 0.165 nan 8.280 nan 0.000 0.513 1091 L N 0.200 121.349 121.223 -0.123 0.000 2.131 1091 L HA -0.220 4.120 4.340 0.000 0.000 0.210 1091 L C 2.581 179.336 176.870 -0.191 0.000 1.092 1091 L CA 1.392 56.102 54.840 -0.218 0.000 0.759 1091 L CB -0.471 41.571 42.059 -0.028 0.000 0.903 1091 L HN 0.181 nan 8.230 nan 0.000 0.435 1092 R N -0.322 120.119 120.500 -0.098 0.000 2.115 1092 R HA -0.084 4.256 4.340 0.000 0.000 0.226 1092 R C 2.499 178.744 176.300 -0.092 0.000 1.100 1092 R CA 1.447 57.505 56.100 -0.069 0.000 0.980 1092 R CB -0.435 29.855 30.300 -0.016 0.000 0.875 1092 R HN 0.482 nan 8.270 nan 0.000 0.445 1093 S N 0.974 116.603 115.700 -0.119 0.000 2.474 1093 S HA -0.035 4.435 4.470 0.000 0.000 0.235 1093 S C 1.936 176.459 174.600 -0.129 0.000 0.997 1093 S CA 0.715 58.858 58.200 -0.096 0.000 0.949 1093 S CB -0.295 62.877 63.200 -0.047 0.000 0.766 1093 S HN 0.245 nan 8.310 nan 0.000 0.517 1094 L N 0.479 121.576 121.223 -0.210 0.000 2.492 1094 L HA 0.163 4.503 4.340 0.000 0.000 0.223 1094 L C 1.289 178.089 176.870 -0.117 0.000 1.132 1094 L CA 0.103 54.833 54.840 -0.183 0.000 0.850 1094 L CB -0.305 41.600 42.059 -0.256 0.000 0.966 1094 L HN 0.220 nan 8.230 nan 0.000 0.454 1095 R N 0.371 120.811 120.500 -0.100 0.000 2.637 1095 R HA 0.306 4.646 4.340 0.000 0.000 0.269 1095 R C -1.837 174.431 176.300 -0.054 0.000 1.089 1095 R CA -1.637 54.419 56.100 -0.073 0.000 1.177 1095 R CB -0.587 29.676 30.300 -0.063 0.000 1.091 1095 R HN -0.118 nan 8.270 nan 0.000 0.540 1105 A N 1.479 124.255 122.820 -0.074 0.000 2.354 1105 A HA 0.874 5.194 4.320 0.000 0.000 0.269 1105 A C -2.170 175.362 177.584 -0.088 0.000 1.109 1105 A CA -0.678 51.313 52.037 -0.076 0.000 0.800 1105 A CB 0.261 19.223 19.000 -0.063 0.000 1.045 1105 A HN 0.265 nan 8.150 nan 0.000 0.489 1106 P HA 0.512 nan 4.420 nan 0.000 0.281 1106 P C -2.573 174.680 177.300 -0.079 0.000 1.281 1106 P CA -1.464 61.577 63.100 -0.099 0.000 0.811 1106 P CB -0.445 31.189 31.700 -0.110 0.000 1.154 1107 P HA 0.019 nan 4.420 nan 0.000 0.270 1107 P C -0.154 177.116 177.300 -0.049 0.000 1.221 1107 P CA 0.008 63.077 63.100 -0.051 0.000 0.788 1107 P CB -0.041 31.642 31.700 -0.027 0.000 0.904 1108 S N 0.899 116.573 115.700 -0.043 0.000 2.568 1108 S HA 0.029 4.499 4.470 0.000 0.000 0.282 1108 S C 1.347 175.924 174.600 -0.038 0.000 1.338 1108 S CA -0.651 57.525 58.200 -0.041 0.000 1.045 1108 S CB -0.009 63.167 63.200 -0.038 0.000 0.873 1108 S HN 0.462 nan 8.310 nan 0.000 0.516 1109 L N 1.598 122.798 121.223 -0.037 0.000 2.189 1109 L HA -0.151 4.189 4.340 0.000 0.000 0.214 1109 L C 2.552 179.401 176.870 -0.034 0.000 1.097 1109 L CA 1.694 56.513 54.840 -0.036 0.000 0.764 1109 L CB -0.684 41.356 42.059 -0.032 0.000 0.900 1109 L HN 0.953 nan 8.230 nan 0.000 0.436 1110 S N -0.902 114.779 115.700 -0.032 0.000 2.377 1110 S HA -0.097 4.373 4.470 0.000 0.000 0.223 1110 S C 1.870 176.452 174.600 -0.030 0.000 1.030 1110 S CA 0.673 58.854 58.200 -0.032 0.000 0.970 1110 S CB 0.119 63.302 63.200 -0.028 0.000 0.830 1110 S HN 0.313 nan 8.310 nan 0.000 0.473 1111 K N 0.936 121.319 120.400 -0.027 0.000 2.097 1111 K HA 0.058 4.378 4.320 0.000 0.000 0.206 1111 K C 1.988 178.585 176.600 -0.006 0.000 1.049 1111 K CA 1.045 57.323 56.287 -0.015 0.000 0.933 1111 K CB -0.451 32.040 32.500 -0.015 0.000 0.717 1111 K HN 0.425 nan 8.250 nan 0.000 0.442 1112 M N 0.111 119.700 119.600 -0.018 0.000 2.098 1112 M HA -0.121 4.359 4.480 0.000 0.000 0.262 1112 M C 1.895 178.177 176.300 -0.029 0.000 1.072 1112 M CA 1.049 56.336 55.300 -0.021 0.000 1.133 1112 M CB -0.210 32.368 32.600 -0.037 0.000 1.344 1112 M HN -0.057 nan 8.290 nan 0.000 0.414 1113 I N 0.600 121.147 120.570 -0.039 0.000 2.185 1113 I HA -0.333 3.837 4.170 0.000 0.000 0.246 1113 I C 2.430 178.505 176.117 -0.069 0.000 1.088 1113 I CA 1.735 63.004 61.300 -0.052 0.000 1.347 1113 I CB -1.414 36.548 38.000 -0.062 0.000 1.041 1113 I HN 0.387 nan 8.210 nan 0.000 0.415 1114 Q N 0.390 120.154 119.800 -0.060 0.000 2.061 1114 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 1114 Q C 2.314 178.284 176.000 -0.050 0.000 0.984 1114 Q CA 1.861 57.625 55.803 -0.065 0.000 0.846 1114 Q CB -0.253 28.474 28.738 -0.019 0.000 0.902 1114 Q HN 0.475 nan 8.270 nan 0.000 0.421 1115 M N -0.910 118.682 119.600 -0.012 0.000 2.117 1115 M HA -0.133 4.347 4.480 0.000 0.000 0.262 1115 M C 2.159 178.465 176.300 0.011 0.000 1.065 1115 M CA 1.415 56.718 55.300 0.005 0.000 1.114 1115 M CB -0.462 32.158 32.600 0.032 0.000 1.361 1115 M HN 0.314 nan 8.290 nan 0.000 0.408 1116 A N 0.703 123.531 122.820 0.014 0.000 1.883 1116 A HA -0.111 4.209 4.320 0.000 0.000 0.217 1116 A C 2.354 180.051 177.584 0.189 0.000 1.186 1116 A CA 2.150 54.252 52.037 0.109 0.000 0.624 1116 A CB -1.541 17.509 19.000 0.083 0.000 0.822 1116 A HN 0.558 nan 8.150 nan 0.000 0.444 1117 G N -1.007 107.791 108.800 -0.002 0.000 2.421 1117 G HA2 -0.091 3.869 3.960 0.000 0.000 0.217 1117 G HA3 -0.091 3.869 3.960 0.000 0.000 0.217 1117 G C 1.422 176.250 174.900 -0.120 0.000 1.143 1117 G CA 0.858 45.887 45.100 -0.117 0.000 0.784 1117 G HN 0.644 nan 8.290 nan 0.000 0.541 1118 E N 0.104 120.198 120.200 -0.175 0.000 2.051 1118 E HA -0.056 4.294 4.350 0.000 0.000 0.192 1118 E C 2.470 178.937 176.600 -0.223 0.000 0.991 1118 E CA 0.644 56.799 56.400 -0.407 0.000 0.799 1118 E CB -0.139 29.370 29.700 -0.318 0.000 0.748 1118 E HN 0.444 nan 8.360 nan 0.000 0.449 1119 I N 1.126 121.687 120.570 -0.014 0.000 2.226 1119 I HA -0.272 3.898 4.170 0.000 0.000 0.245 1119 I C 2.519 178.660 176.117 0.040 0.000 1.100 1119 I CA 0.994 62.348 61.300 0.090 0.000 1.374 1119 I CB -0.317 37.825 38.000 0.235 0.000 1.057 1119 I HN 0.089 nan 8.210 nan 0.000 0.413 1120 A N 0.062 122.922 122.820 0.067 0.000 2.019 1120 A HA -0.275 4.045 4.320 0.000 0.000 0.219 1120 A C 1.927 179.433 177.584 -0.130 0.000 1.164 1120 A CA 2.213 54.120 52.037 -0.216 0.000 0.644 1120 A CB -0.599 18.302 19.000 -0.165 0.000 0.805 1120 A HN 0.464 nan 8.150 nan 0.000 0.449 1121 D N -0.863 119.552 120.400 0.025 0.000 2.120 1121 D HA 0.017 4.657 4.640 0.000 0.000 0.202 1121 D C 2.051 178.443 176.300 0.155 0.000 0.972 1121 D CA 1.470 55.596 54.000 0.210 0.000 0.837 1121 D CB -0.404 40.611 40.800 0.358 0.000 0.989 1121 D HN 0.258 nan 8.370 nan 0.000 0.469 1122 G N 0.342 109.191 108.800 0.082 0.000 2.440 1122 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 1122 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 1122 G C 1.533 176.389 174.900 -0.073 0.000 1.154 1122 G CA 0.819 45.947 45.100 0.048 0.000 0.767 1122 G HN 0.196 nan 8.290 nan 0.000 0.552 1123 M N 0.998 120.433 119.600 -0.276 0.000 2.229 1123 M HA 0.088 4.568 4.480 0.000 0.000 0.264 1123 M C 2.990 179.054 176.300 -0.394 0.000 1.063 1123 M CA 1.176 56.153 55.300 -0.539 0.000 1.114 1123 M CB -1.015 30.714 32.600 -1.451 0.000 1.387 1123 M HN 0.324 nan 8.290 nan 0.000 0.420 1124 A N -0.813 121.876 122.820 -0.218 0.000 1.969 1124 A HA -0.207 4.113 4.320 0.000 0.000 0.218 1124 A C 2.095 179.582 177.584 -0.162 0.000 1.169 1124 A CA 1.212 53.308 52.037 0.098 0.000 0.635 1124 A CB -0.972 18.261 19.000 0.388 0.000 0.810 1124 A HN 0.503 nan 8.150 nan 0.000 0.445 1125 Y N 0.223 120.153 120.300 -0.616 0.000 2.200 1125 Y HA -0.097 4.454 4.550 0.000 0.000 0.290 1125 Y C 1.997 177.589 175.900 -0.512 0.000 1.137 1125 Y CA 1.406 58.873 58.100 -1.055 0.000 1.163 1125 Y CB -0.222 37.768 38.460 -0.784 0.000 0.988 1125 Y HN 0.191 nan 8.280 nan 0.000 0.518 1126 L N 0.348 121.380 121.223 -0.317 0.000 1.970 1126 L HA -0.328 4.012 4.340 0.000 0.000 0.212 1126 L C 1.895 178.689 176.870 -0.127 0.000 1.071 1126 L CA 2.404 57.071 54.840 -0.288 0.000 0.751 1126 L CB -0.834 41.136 42.059 -0.149 0.000 0.889 1126 L HN 0.409 nan 8.230 nan 0.000 0.432 1127 N N -0.567 118.106 118.700 -0.046 0.000 2.309 1127 N HA -0.127 4.613 4.740 0.000 0.000 0.182 1127 N C 1.766 177.260 175.510 -0.028 0.000 1.018 1127 N CA 0.823 53.892 53.050 0.031 0.000 0.876 1127 N CB -0.037 38.541 38.487 0.151 0.000 0.972 1127 N HN 0.336 nan 8.380 nan 0.000 0.434 1128 A N 1.313 124.074 122.820 -0.098 0.000 1.969 1128 A HA -0.044 4.277 4.320 0.000 0.000 0.218 1128 A C 1.518 179.027 177.584 -0.125 0.000 1.169 1128 A CA 0.921 52.919 52.037 -0.066 0.000 0.635 1128 A CB -0.124 18.874 19.000 -0.004 0.000 0.810 1128 A HN 0.298 nan 8.150 nan 0.000 0.445 1129 N N 0.263 118.836 118.700 -0.212 0.000 2.322 1129 N HA 0.032 4.772 4.740 0.000 0.000 0.216 1129 N C -0.667 174.724 175.510 -0.199 0.000 1.144 1129 N CA -0.058 52.915 53.050 -0.129 0.000 0.830 1129 N CB 0.241 38.703 38.487 -0.043 0.000 1.034 1129 N HN 0.131 nan 8.380 nan 0.000 0.484 1130 K N 0.506 120.794 120.400 -0.187 0.000 3.244 1130 K HA -0.165 4.156 4.320 0.000 0.000 0.270 1130 K C -1.131 175.188 176.600 -0.468 0.000 1.016 1130 K CA 0.876 57.000 56.287 -0.272 0.000 0.754 1130 K CB -1.784 30.536 32.500 -0.300 0.000 1.326 1130 K HN 0.205 nan 8.250 nan 0.000 0.465 1131 F N -1.105 118.815 119.950 -0.050 0.000 2.546 1131 F HA 0.463 4.990 4.527 0.000 0.000 0.320 1131 F C 0.645 176.456 175.800 0.018 0.000 1.076 1131 F CA -1.027 56.963 58.000 -0.016 0.000 0.928 1131 F CB 1.707 40.693 39.000 -0.024 0.000 1.189 1131 F HN -0.228 nan 8.300 nan 0.000 0.465 1132 V N 3.140 123.205 119.914 0.251 0.000 2.398 1132 V HA 0.153 4.273 4.120 0.000 0.000 0.286 1132 V C 0.734 176.973 176.094 0.242 0.000 1.026 1132 V CA -0.314 62.120 62.300 0.224 0.000 0.868 1132 V CB 1.248 33.180 31.823 0.181 0.000 0.982 1132 V HN 0.834 nan 8.190 nan 0.000 0.443 1133 H N 4.972 124.152 119.070 0.183 0.000 2.363 1133 H HA 0.015 4.571 4.556 0.000 0.000 0.301 1133 H C 1.831 177.204 175.328 0.076 0.000 1.074 1133 H CA 2.025 58.168 56.048 0.157 0.000 1.354 1133 H CB 0.372 30.221 29.762 0.144 0.000 1.397 1133 H HN 0.759 nan 8.280 nan 0.000 0.516 1134 R N -1.285 119.389 120.500 0.290 0.000 3.928 1134 R HA -0.201 4.139 4.340 0.000 0.000 0.417 1134 R C 0.367 176.766 176.300 0.165 0.000 0.647 1134 R CA 1.759 57.912 56.100 0.088 0.000 1.610 1134 R CB -1.386 28.710 30.300 -0.339 0.000 2.164 1134 R HN 0.322 nan 8.270 nan 0.000 0.406 1135 D N 0.308 120.872 120.400 0.274 0.000 2.535 1135 D HA 0.123 4.763 4.640 0.000 0.000 0.229 1135 D C -0.543 175.687 176.300 -0.117 0.000 1.238 1135 D CA -0.337 53.734 54.000 0.119 0.000 0.824 1135 D CB 0.280 41.169 40.800 0.148 0.000 1.045 1135 D HN 0.017 nan 8.370 nan 0.000 0.500 1136 L N 1.657 122.722 121.223 -0.264 0.000 2.584 1136 L HA 0.398 4.738 4.340 0.000 0.000 0.272 1136 L C -0.325 176.483 176.870 -0.103 0.000 1.195 1136 L CA 0.350 54.960 54.840 -0.384 0.000 0.920 1136 L CB 0.008 41.983 42.059 -0.140 0.000 1.173 1136 L HN 0.119 nan 8.230 nan 0.000 0.489 1137 A N 3.953 126.671 122.820 -0.170 0.000 2.601 1137 A HA 0.701 5.021 4.320 0.000 0.000 0.291 1137 A C 0.457 178.002 177.584 -0.064 0.000 1.075 1137 A CA -0.176 51.765 52.037 -0.159 0.000 0.671 1137 A CB 0.363 18.953 19.000 -0.683 0.000 1.277 1137 A HN 1.026 nan 8.150 nan 0.000 0.417 1138 A N 0.551 123.406 122.820 0.058 0.000 1.972 1138 A HA -0.125 4.195 4.320 0.000 0.000 0.219 1138 A C 1.937 179.526 177.584 0.008 0.000 1.169 1138 A CA 1.988 54.066 52.037 0.069 0.000 0.635 1138 A CB -0.569 18.518 19.000 0.146 0.000 0.810 1138 A HN 1.106 nan 8.150 nan 0.000 0.446 1139 R N -0.837 119.631 120.500 -0.054 0.000 2.237 1139 R HA -0.009 4.331 4.340 0.000 0.000 0.219 1139 R C 0.388 176.644 176.300 -0.073 0.000 1.080 1139 R CA 1.523 57.584 56.100 -0.064 0.000 0.995 1139 R CB -0.353 29.876 30.300 -0.118 0.000 0.875 1139 R HN 0.334 nan 8.270 nan 0.000 0.462 1140 N N 0.036 118.677 118.700 -0.100 0.000 2.230 1140 N HA 0.107 4.847 4.740 0.000 0.000 0.202 1140 N C -0.673 174.787 175.510 -0.084 0.000 1.119 1140 N CA -0.038 52.952 53.050 -0.100 0.000 0.851 1140 N CB 0.515 38.927 38.487 -0.124 0.000 0.990 1140 N HN 0.161 nan 8.380 nan 0.000 0.497 1141 C N 0.975 120.246 119.300 -0.049 0.000 2.399 1141 C HA 0.603 5.063 4.460 0.000 0.000 0.348 1141 C C 0.294 175.276 174.990 -0.013 0.000 1.183 1141 C CA -0.814 58.189 59.018 -0.025 0.000 2.023 1141 C CB 1.235 28.976 27.740 0.001 0.000 2.361 1141 C HN 0.179 nan 8.230 nan 0.000 0.521 1142 M N 1.615 121.207 119.600 -0.013 0.000 2.662 1142 M HA 0.541 5.021 4.480 0.000 0.000 0.310 1142 M C -0.977 175.295 176.300 -0.047 0.000 1.204 1142 M CA -0.503 54.784 55.300 -0.022 0.000 0.891 1142 M CB 1.699 34.290 32.600 -0.016 0.000 1.732 1142 M HN 0.346 nan 8.290 nan 0.000 0.467 1143 V N 1.368 121.225 119.914 -0.095 0.000 2.417 1143 V HA 0.653 4.773 4.120 0.000 0.000 0.291 1143 V C 0.424 176.401 176.094 -0.196 0.000 1.024 1143 V CA -1.054 61.135 62.300 -0.185 0.000 0.861 1143 V CB 1.082 32.679 31.823 -0.376 0.000 0.985 1143 V HN 1.001 nan 8.190 nan 0.000 0.436 1144 A N 2.760 125.480 122.820 -0.167 0.000 2.346 1144 A HA 0.366 4.686 4.320 0.000 0.000 0.252 1144 A C 1.351 178.757 177.584 -0.297 0.000 1.089 1144 A CA 0.195 52.140 52.037 -0.154 0.000 0.797 1144 A CB 0.170 19.131 19.000 -0.065 0.000 1.047 1144 A HN 1.019 nan 8.150 nan 0.000 0.494 1145 E N 0.303 120.359 120.200 -0.240 0.000 2.114 1145 E HA -0.260 4.090 4.350 0.000 0.000 0.199 1145 E C 0.969 177.335 176.600 -0.390 0.000 1.008 1145 E CA 2.151 58.362 56.400 -0.314 0.000 0.810 1145 E CB -0.112 29.503 29.700 -0.142 0.000 0.739 1145 E HN 0.784 nan 8.360 nan 0.000 0.456 1146 D N -1.263 119.056 120.400 -0.134 0.000 2.323 1146 D HA -0.108 4.532 4.640 0.000 0.000 0.239 1146 D C -0.140 176.314 176.300 0.257 0.000 1.129 1146 D CA -0.025 54.038 54.000 0.105 0.000 0.865 1146 D CB -0.632 40.245 40.800 0.129 0.000 0.913 1146 D HN 0.379 nan 8.370 nan 0.000 0.517 1147 F N -1.640 118.274 119.950 -0.059 0.000 2.884 1147 F HA -0.235 4.292 4.527 0.000 0.000 0.294 1147 F C 0.280 176.030 175.800 -0.083 0.000 0.723 1147 F CA 0.718 58.645 58.000 -0.121 0.000 1.294 1147 F CB -2.577 36.370 39.000 -0.088 0.000 1.551 1147 F HN -0.094 nan 8.300 nan 0.000 0.363 1148 T N 1.803 116.393 114.554 0.059 0.000 2.851 1148 T HA 0.505 4.855 4.350 0.000 0.000 0.298 1148 T C 0.443 175.150 174.700 0.012 0.000 0.977 1148 T CA -0.318 61.820 62.100 0.063 0.000 1.126 1148 T CB 1.337 70.247 68.868 0.071 0.000 0.916 1148 T HN 0.031 nan 8.240 nan 0.000 0.529 1149 V N 5.198 125.127 119.914 0.025 0.000 2.509 1149 V HA 0.457 4.577 4.120 0.000 0.000 0.284 1149 V C 0.199 176.315 176.094 0.036 0.000 1.047 1149 V CA -0.533 61.773 62.300 0.010 0.000 0.952 1149 V CB 1.184 33.016 31.823 0.015 0.000 0.988 1149 V HN 0.757 nan 8.190 nan 0.000 0.469 1150 K N 4.070 124.488 120.400 0.030 0.000 2.464 1150 K HA 0.567 4.887 4.320 0.000 0.000 0.253 1150 K C -1.201 175.423 176.600 0.040 0.000 0.933 1150 K CA -0.952 55.369 56.287 0.057 0.000 0.801 1150 K CB 2.343 34.873 32.500 0.050 0.000 1.271 1150 K HN 0.357 nan 8.250 nan 0.000 0.430 1151 I N 2.089 122.695 120.570 0.060 0.000 2.683 1151 I HA -0.012 4.158 4.170 0.000 0.000 0.286 1151 I C 1.254 177.356 176.117 -0.025 0.000 1.175 1151 I CA 0.762 62.077 61.300 0.025 0.000 1.429 1151 I CB 0.304 38.369 38.000 0.108 0.000 1.371 1151 I HN 1.035 nan 8.210 nan 0.000 0.569 1152 G N 4.815 113.498 108.800 -0.195 0.000 2.826 1152 G HA2 -0.010 3.950 3.960 0.000 0.000 0.197 1152 G HA3 -0.010 3.950 3.960 0.000 0.000 0.197 1152 G C 0.022 174.685 174.900 -0.395 0.000 1.072 1152 G CA 0.119 45.110 45.100 -0.181 0.000 0.733 1152 G HN 0.568 nan 8.290 nan 0.000 0.674 1153 D N -0.279 119.786 120.400 -0.559 0.000 2.481 1153 D HA 0.437 5.077 4.640 0.000 0.000 0.246 1153 D C -0.987 174.943 176.300 -0.617 0.000 1.109 1153 D CA -0.899 52.864 54.000 -0.395 0.000 0.845 1153 D CB 1.231 41.942 40.800 -0.149 0.000 1.160 1153 D HN 0.074 nan 8.370 nan 0.000 0.534 1154 F N 1.535 121.431 119.950 -0.089 0.000 2.805 1154 F HA 0.314 4.841 4.527 0.000 0.000 0.317 1154 F C 2.003 177.730 175.800 -0.122 0.000 1.146 1154 F CA -0.736 57.143 58.000 -0.202 0.000 1.265 1154 F CB 1.289 40.205 39.000 -0.139 0.000 0.992 1154 F HN 0.511 nan 8.300 nan 0.000 0.511 1155 G N -0.027 108.801 108.800 0.045 0.000 2.559 1155 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 1155 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 1155 G C 1.285 176.201 174.900 0.027 0.000 1.126 1155 G CA 0.623 45.757 45.100 0.056 0.000 0.778 1155 G HN 0.287 nan 8.290 nan 0.000 0.543 1156 M N 1.002 120.602 119.600 -0.000 0.000 2.306 1156 M HA 0.241 4.721 4.480 0.000 0.000 0.292 1156 M C 1.016 177.297 176.300 -0.031 0.000 1.018 1156 M CA -0.047 55.239 55.300 -0.023 0.000 1.007 1156 M CB 0.817 33.401 32.600 -0.027 0.000 1.510 1156 M HN 0.075 nan 8.290 nan 0.000 0.537 1157 T N -0.010 114.544 114.554 0.001 0.000 2.913 1157 T HA 0.652 5.002 4.350 0.000 0.000 0.287 1157 T C -0.015 174.749 174.700 0.107 0.000 1.008 1157 T CA -0.640 61.488 62.100 0.047 0.000 1.067 1157 T CB 1.251 70.153 68.868 0.056 0.000 0.996 1157 T HN 0.171 nan 8.240 nan 0.000 0.513 1158 R N 1.827 122.428 120.500 0.168 0.000 2.725 1158 R HA 0.389 4.729 4.340 0.000 0.000 0.277 1158 R C -1.222 175.209 176.300 0.217 0.000 0.987 1158 R CA -0.797 55.403 56.100 0.167 0.000 0.901 1158 R CB 1.812 32.155 30.300 0.071 0.000 1.207 1158 R HN 0.879 nan 8.270 nan 0.000 0.463 1159 D N 2.561 123.040 120.400 0.131 0.000 2.350 1159 D HA 0.353 4.993 4.640 0.000 0.000 0.249 1159 D C 0.266 176.482 176.300 -0.141 0.000 1.119 1159 D CA -0.178 53.727 54.000 -0.159 0.000 0.886 1159 D CB 0.670 41.364 40.800 -0.176 0.000 1.195 1159 D HN 0.481 nan 8.370 nan 0.000 0.437 1163 T N 0.353 114.894 114.554 -0.022 0.000 9.673 1163 T HA -0.196 4.154 4.350 0.000 0.000 0.333 1163 T C 0.438 175.129 174.700 -0.014 0.000 1.958 1163 T CA 0.482 62.575 62.100 -0.011 0.000 3.278 1163 T CB -1.997 66.868 68.868 -0.005 0.000 1.811 1163 T HN 0.792 nan 8.240 nan 0.000 0.518 1168 K N 2.197 122.711 120.400 0.190 0.000 2.258 1168 K HA 0.379 4.699 4.320 0.000 0.000 0.284 1168 K C 0.653 177.310 176.600 0.094 0.000 1.051 1168 K CA 0.484 56.867 56.287 0.160 0.000 0.923 1168 K CB 1.367 34.012 32.500 0.242 0.000 1.046 1168 K HN 0.645 nan 8.250 nan 0.000 0.474 1169 G N 2.673 111.514 108.800 0.069 0.000 2.439 1169 G HA2 0.050 4.010 3.960 0.000 0.000 0.212 1169 G HA3 0.050 4.010 3.960 0.000 0.000 0.212 1169 G C 0.609 175.534 174.900 0.042 0.000 1.199 1169 G CA 0.527 45.655 45.100 0.047 0.000 0.807 1169 G HN 0.723 nan 8.290 nan 0.000 0.537 1170 G N -0.504 108.322 108.800 0.042 0.000 2.849 1170 G HA2 0.440 4.400 3.960 0.000 0.000 0.174 1170 G HA3 0.440 4.400 3.960 0.000 0.000 0.174 1170 G C -0.345 174.579 174.900 0.041 0.000 1.370 1170 G CA -0.516 44.605 45.100 0.035 0.000 1.040 1170 G HN 0.110 nan 8.290 nan 0.000 0.582 1171 K N 0.292 120.712 120.400 0.034 0.000 2.469 1171 K HA 0.343 4.663 4.320 0.000 0.000 0.274 1171 K C 0.215 176.842 176.600 0.045 0.000 0.983 1171 K CA 0.319 56.628 56.287 0.036 0.000 0.974 1171 K CB 0.689 33.205 32.500 0.027 0.000 0.913 1171 K HN 0.555 nan 8.250 nan 0.000 0.493 1172 G N 1.886 110.718 108.800 0.054 0.000 2.571 1172 G HA2 0.525 4.485 3.960 0.000 0.000 0.304 1172 G HA3 0.525 4.485 3.960 0.000 0.000 0.304 1172 G C -0.008 174.925 174.900 0.055 0.000 1.314 1172 G CA -0.612 44.526 45.100 0.063 0.000 0.975 1172 G HN 0.518 nan 8.290 nan 0.000 0.485 1173 L N 1.441 122.690 121.223 0.044 0.000 2.857 1173 L HA 0.314 4.654 4.340 0.000 0.000 0.249 1173 L C 0.562 177.459 176.870 0.044 0.000 1.172 1173 L CA -0.167 54.695 54.840 0.037 0.000 0.980 1173 L CB 0.094 42.163 42.059 0.017 0.000 1.299 1173 L HN 0.245 nan 8.230 nan 0.000 0.535 1174 L N 2.955 124.217 121.223 0.065 0.000 2.490 1174 L HA 0.101 4.441 4.340 0.000 0.000 0.274 1174 L C -1.567 175.374 176.870 0.119 0.000 1.201 1174 L CA -1.411 53.480 54.840 0.085 0.000 0.869 1174 L CB 0.026 42.165 42.059 0.132 0.000 1.123 1174 L HN -0.063 nan 8.230 nan 0.000 0.484 1175 P HA -0.033 nan 4.420 nan 0.000 0.267 1175 P C 0.775 178.261 177.300 0.309 0.000 1.205 1175 P CA -0.184 63.040 63.100 0.206 0.000 0.765 1175 P CB 1.015 32.824 31.700 0.182 0.000 0.828 1176 V N 2.496 122.554 119.914 0.241 0.000 2.809 1176 V HA -0.160 3.960 4.120 0.000 0.000 0.256 1176 V C 1.965 178.177 176.094 0.196 0.000 1.080 1176 V CA 0.940 63.343 62.300 0.173 0.000 1.102 1176 V CB -1.108 30.758 31.823 0.071 0.000 0.705 1176 V HN 0.376 nan 8.190 nan 0.000 0.475 1177 R N -0.754 119.924 120.500 0.297 0.000 2.285 1177 R HA -0.019 4.321 4.340 0.000 0.000 0.213 1177 R C 1.730 178.093 176.300 0.104 0.000 1.068 1177 R CA 1.451 57.642 56.100 0.152 0.000 1.004 1177 R CB -0.278 30.025 30.300 0.005 0.000 0.873 1177 R HN 0.647 nan 8.270 nan 0.000 0.467 1178 W N 0.128 121.577 121.300 0.249 0.000 3.127 1178 W HA 0.298 4.958 4.660 0.000 0.000 0.344 1178 W C 0.274 177.008 176.519 0.358 0.000 1.151 1178 W CA -0.605 56.933 57.345 0.322 0.000 1.765 1178 W CB 0.288 29.893 29.460 0.242 0.000 1.085 1178 W HN -0.034 nan 8.180 nan 0.000 0.596 1179 M N 1.173 120.993 119.600 0.368 0.000 2.235 1179 M HA 0.061 4.541 4.480 0.000 0.000 0.351 1179 M C 1.193 177.289 176.300 -0.340 0.000 1.178 1179 M CA 0.259 55.632 55.300 0.121 0.000 1.143 1179 M CB 1.280 33.921 32.600 0.068 0.000 1.530 1179 M HN -0.250 nan 8.290 nan 0.000 0.461 1180 S N 2.963 118.277 115.700 -0.644 0.000 2.608 1180 S HA 0.260 4.730 4.470 0.000 0.000 0.261 1180 S C -2.117 171.873 174.600 -1.016 0.000 1.314 1180 S CA -1.066 56.272 58.200 -1.438 0.000 0.992 1180 S CB 0.335 63.051 63.200 -0.806 0.000 0.935 1180 S HN 0.457 nan 8.310 nan 0.000 0.564 1181 P HA -0.136 nan 4.420 nan 0.000 0.216 1181 P C 1.638 178.615 177.300 -0.537 0.000 1.153 1181 P CA 1.394 64.051 63.100 -0.739 0.000 0.848 1181 P CB -0.118 31.023 31.700 -0.933 0.000 0.787 1182 E N -0.477 119.399 120.200 -0.541 0.000 2.208 1182 E HA -0.082 4.268 4.350 0.000 0.000 0.193 1182 E C 1.633 178.018 176.600 -0.360 0.000 0.988 1182 E CA 1.259 57.438 56.400 -0.369 0.000 0.828 1182 E CB -1.079 28.444 29.700 -0.296 0.000 0.763 1182 E HN 0.134 nan 8.360 nan 0.000 0.478 1183 S N 1.109 116.537 115.700 -0.453 0.000 2.387 1183 S HA 0.046 4.516 4.470 0.000 0.000 0.226 1183 S C 2.095 176.468 174.600 -0.377 0.000 1.026 1183 S CA 0.714 58.573 58.200 -0.568 0.000 0.972 1183 S CB -0.188 62.611 63.200 -0.668 0.000 0.814 1183 S HN 0.216 nan 8.310 nan 0.000 0.477 1184 L N 1.052 122.097 121.223 -0.297 0.000 2.201 1184 L HA -0.007 4.333 4.340 0.000 0.000 0.212 1184 L C 2.444 179.221 176.870 -0.154 0.000 1.105 1184 L CA 1.088 55.813 54.840 -0.190 0.000 0.775 1184 L CB -0.271 41.672 42.059 -0.194 0.000 0.913 1184 L HN 0.226 nan 8.230 nan 0.000 0.440 1185 K N -0.806 119.487 120.400 -0.178 0.000 2.211 1185 K HA -0.062 4.258 4.320 0.000 0.000 0.201 1185 K C 0.902 177.440 176.600 -0.103 0.000 1.052 1185 K CA 0.970 57.184 56.287 -0.123 0.000 0.973 1185 K CB 0.431 32.861 32.500 -0.116 0.000 0.766 1185 K HN 0.214 nan 8.250 nan 0.000 0.466 1186 D N -1.818 118.503 120.400 -0.132 0.000 2.448 1186 D HA 0.109 4.749 4.640 0.000 0.000 0.256 1186 D C 0.542 176.782 176.300 -0.099 0.000 1.108 1186 D CA 0.853 54.792 54.000 -0.100 0.000 0.848 1186 D CB 1.406 42.147 40.800 -0.097 0.000 1.281 1186 D HN 0.341 nan 8.370 nan 0.000 0.509 1187 G N 1.600 110.298 108.800 -0.170 0.000 2.132 1187 G HA2 -0.247 3.713 3.960 0.000 0.000 0.228 1187 G HA3 -0.247 3.713 3.960 0.000 0.000 0.228 1187 G C 0.260 175.037 174.900 -0.205 0.000 1.000 1187 G CA 0.270 45.282 45.100 -0.147 0.000 0.693 1187 G HN 0.229 nan 8.290 nan 0.000 0.515 1188 V N 0.261 119.982 119.914 -0.323 0.000 2.546 1188 V HA 0.730 4.850 4.120 0.000 0.000 0.284 1188 V C 0.126 175.940 176.094 -0.467 0.000 1.050 1188 V CA -0.292 61.873 62.300 -0.224 0.000 0.981 1188 V CB 1.009 32.748 31.823 -0.139 0.000 0.990 1188 V HN 0.221 nan 8.190 nan 0.000 0.474 1189 F N 2.547 122.511 119.950 0.023 0.000 2.518 1189 F HA 0.689 5.216 4.527 0.000 0.000 0.323 1189 F C 0.521 176.338 175.800 0.027 0.000 1.129 1189 F CA -0.405 57.619 58.000 0.041 0.000 0.920 1189 F CB 2.288 41.328 39.000 0.066 0.000 1.160 1189 F HN 0.634 nan 8.300 nan 0.000 0.440 1190 T N -3.326 111.326 114.554 0.164 0.000 2.831 1190 T HA 0.279 4.629 4.350 0.000 0.000 0.287 1190 T C 1.000 175.708 174.700 0.014 0.000 1.070 1190 T CA -0.042 62.068 62.100 0.016 0.000 1.010 1190 T CB 1.272 70.081 68.868 -0.098 0.000 1.264 1190 T HN 0.579 nan 8.240 nan 0.000 0.532 1191 T N -1.272 113.184 114.554 -0.162 0.000 2.788 1191 T HA -0.179 4.171 4.350 0.000 0.000 0.268 1191 T C 1.496 176.185 174.700 -0.019 0.000 1.044 1191 T CA 1.324 63.387 62.100 -0.062 0.000 1.139 1191 T CB -1.026 67.767 68.868 -0.125 0.000 0.867 1191 T HN 0.580 nan 8.240 nan 0.000 0.454 1192 Y N 2.959 123.299 120.300 0.067 0.000 2.114 1192 Y HA -0.112 4.438 4.550 0.000 0.000 0.282 1192 Y C 3.288 179.258 175.900 0.118 0.000 1.165 1192 Y CA 0.670 58.797 58.100 0.045 0.000 1.148 1192 Y CB -1.468 37.008 38.460 0.026 0.000 0.972 1192 Y HN 0.511 nan 8.280 nan 0.000 0.504 1193 S N -0.240 115.620 115.700 0.266 0.000 2.382 1193 S HA -0.191 4.279 4.470 0.000 0.000 0.228 1193 S C 1.677 176.514 174.600 0.396 0.000 1.027 1193 S CA 1.551 59.915 58.200 0.273 0.000 0.991 1193 S CB -0.509 62.798 63.200 0.179 0.000 0.823 1193 S HN 0.363 nan 8.310 nan 0.000 0.469 1194 D N 1.360 121.983 120.400 0.372 0.000 2.117 1194 D HA -0.034 4.606 4.640 0.000 0.000 0.197 1194 D C 2.076 178.684 176.300 0.514 0.000 0.987 1194 D CA 1.115 55.398 54.000 0.471 0.000 0.829 1194 D CB -0.582 40.535 40.800 0.527 0.000 0.961 1194 D HN 0.348 nan 8.370 nan 0.000 0.460 1195 V N 0.820 120.857 119.914 0.205 0.000 2.343 1195 V HA -0.211 3.909 4.120 0.000 0.000 0.247 1195 V C 2.144 178.431 176.094 0.322 0.000 1.051 1195 V CA 1.346 63.637 62.300 -0.015 0.000 1.036 1195 V CB -0.534 31.131 31.823 -0.263 0.000 0.654 1195 V HN 0.416 nan 8.190 nan 0.000 0.451 1196 W N 1.307 122.747 121.300 0.233 0.000 2.315 1196 W HA -0.257 4.403 4.660 0.000 0.000 0.323 1196 W C 2.572 179.351 176.519 0.433 0.000 1.233 1196 W CA 2.426 59.975 57.345 0.341 0.000 1.267 1196 W CB -0.718 28.902 29.460 0.266 0.000 1.160 1196 W HN 0.334 nan 8.180 nan 0.000 0.474 1197 S N 0.965 117.099 115.700 0.724 0.000 2.365 1197 S HA -0.285 4.185 4.470 0.000 0.000 0.225 1197 S C 1.574 176.463 174.600 0.481 0.000 1.039 1197 S CA 1.855 60.430 58.200 0.626 0.000 1.033 1197 S CB -1.291 62.255 63.200 0.577 0.000 0.887 1197 S HN 0.366 nan 8.310 nan 0.000 0.447 1198 F N 2.577 122.733 119.950 0.344 0.000 2.115 1198 F HA -0.187 4.341 4.527 0.000 0.000 0.300 1198 F C 2.277 178.163 175.800 0.143 0.000 1.092 1198 F CA 1.468 59.636 58.000 0.280 0.000 1.245 1198 F CB -1.016 38.237 39.000 0.422 0.000 0.995 1198 F HN 0.226 nan 8.300 nan 0.000 0.481 1199 G N -0.169 108.673 108.800 0.071 0.000 2.446 1199 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 1199 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 1199 G C 1.724 176.634 174.900 0.016 0.000 1.168 1199 G CA 1.337 46.267 45.100 -0.284 0.000 0.771 1199 G HN 0.367 nan 8.290 nan 0.000 0.551 1200 V N 0.698 120.771 119.914 0.265 0.000 2.407 1200 V HA -0.160 3.960 4.120 0.000 0.000 0.248 1200 V C 2.960 179.209 176.094 0.259 0.000 1.055 1200 V CA 1.657 64.100 62.300 0.239 0.000 1.049 1200 V CB -0.261 31.546 31.823 -0.027 0.000 0.662 1200 V HN 0.358 nan 8.190 nan 0.000 0.455 1201 V N -0.996 119.039 119.914 0.202 0.000 2.871 1201 V HA -0.073 4.047 4.120 0.000 0.000 0.256 1201 V C 2.040 178.130 176.094 -0.008 0.000 1.082 1201 V CA 1.374 63.771 62.300 0.161 0.000 1.105 1201 V CB -0.166 31.735 31.823 0.130 0.000 0.713 1201 V HN 0.458 nan 8.190 nan 0.000 0.473 1202 L N -1.232 119.889 121.223 -0.170 0.000 1.994 1202 L HA -0.153 4.187 4.340 0.000 0.000 0.208 1202 L C 2.381 179.254 176.870 0.005 0.000 1.071 1202 L CA 2.655 57.383 54.840 -0.187 0.000 0.745 1202 L CB -0.681 41.192 42.059 -0.310 0.000 0.892 1202 L HN 0.575 nan 8.230 nan 0.000 0.431 1203 W N 1.307 122.579 121.300 -0.047 0.000 2.318 1203 W HA -0.250 4.410 4.660 0.000 0.000 0.313 1203 W C 2.542 179.065 176.519 0.007 0.000 1.221 1203 W CA 1.987 59.354 57.345 0.036 0.000 1.266 1203 W CB -0.070 29.466 29.460 0.128 0.000 1.150 1203 W HN 0.129 nan 8.180 nan 0.000 0.496 1204 E N -0.138 120.247 120.200 0.309 0.000 2.058 1204 E HA -0.285 4.065 4.350 0.000 0.000 0.194 1204 E C 2.099 178.698 176.600 -0.001 0.000 0.997 1204 E CA 2.041 58.561 56.400 0.201 0.000 0.801 1204 E CB -0.666 29.212 29.700 0.297 0.000 0.746 1204 E HN 0.375 nan 8.360 nan 0.000 0.450 1205 I N 1.164 121.731 120.570 -0.005 0.000 2.163 1205 I HA -0.296 3.874 4.170 0.000 0.000 0.243 1205 I C 2.570 178.615 176.117 -0.120 0.000 1.085 1205 I CA 1.126 62.401 61.300 -0.042 0.000 1.347 1205 I CB -0.388 37.592 38.000 -0.035 0.000 1.044 1205 I HN 0.078 nan 8.210 nan 0.000 0.408 1206 A N 0.179 122.887 122.820 -0.187 0.000 2.019 1206 A HA -0.180 4.140 4.320 0.000 0.000 0.219 1206 A C 2.165 179.551 177.584 -0.330 0.000 1.164 1206 A CA 2.135 54.022 52.037 -0.249 0.000 0.644 1206 A CB -0.795 18.038 19.000 -0.278 0.000 0.805 1206 A HN 0.547 nan 8.150 nan 0.000 0.449 1207 T N -3.863 110.436 114.554 -0.425 0.000 3.129 1207 T HA 0.458 4.808 4.350 0.000 0.000 0.267 1207 T C 0.368 174.925 174.700 -0.239 0.000 1.018 1207 T CA 0.138 61.983 62.100 -0.424 0.000 0.903 1207 T CB -0.585 67.842 68.868 -0.734 0.000 1.067 1207 T HN 0.603 nan 8.240 nan 0.000 0.549 1208 L N 0.658 121.778 121.223 -0.172 0.000 3.601 1208 L HA -0.217 4.123 4.340 0.000 0.000 0.469 1208 L C 0.774 177.608 176.870 -0.061 0.000 1.294 1208 L CA 0.129 54.903 54.840 -0.111 0.000 0.829 1208 L CB -2.539 39.450 42.059 -0.118 0.000 1.628 1208 L HN 0.830 nan 8.230 nan 0.000 0.868 1209 A N -0.517 122.292 122.820 -0.018 0.000 2.648 1209 A HA -0.186 4.134 4.320 0.000 0.000 0.297 1209 A C 0.564 178.207 177.584 0.099 0.000 1.467 1209 A CA 1.566 53.650 52.037 0.079 0.000 0.731 1209 A CB -1.124 17.924 19.000 0.080 0.000 1.085 1209 A HN 0.689 nan 8.150 nan 0.000 0.437 1210 E N -0.283 119.973 120.200 0.094 0.000 2.314 1210 E HA 0.341 4.691 4.350 0.000 0.000 0.262 1210 E C 0.502 177.283 176.600 0.302 0.000 1.093 1210 E CA -0.680 55.813 56.400 0.156 0.000 0.908 1210 E CB 0.526 30.281 29.700 0.093 0.000 1.091 1210 E HN 0.584 nan 8.360 nan 0.000 0.425 1211 Q N 2.234 122.172 119.800 0.231 0.000 2.296 1211 Q HA 0.160 4.500 4.340 0.000 0.000 0.263 1211 Q C -2.278 173.755 176.000 0.056 0.000 1.026 1211 Q CA -1.879 54.034 55.803 0.183 0.000 0.912 1211 Q CB 0.655 29.479 28.738 0.144 0.000 1.198 1211 Q HN 0.141 nan 8.270 nan 0.000 0.407 1212 P HA -0.126 nan 4.420 nan 0.000 0.265 1212 P C -1.183 175.835 177.300 -0.471 0.000 1.187 1212 P CA 0.484 63.095 63.100 -0.814 0.000 0.766 1212 P CB 0.103 31.178 31.700 -1.041 0.000 0.820 1213 Y N -1.054 118.972 120.300 -0.458 0.000 3.225 1213 Y HA -0.276 4.274 4.550 0.000 0.000 0.211 1213 Y C 1.019 176.815 175.900 -0.173 0.000 1.223 1213 Y CA 0.370 58.296 58.100 -0.289 0.000 1.284 1213 Y CB -2.600 35.715 38.460 -0.243 0.000 1.367 1213 Y HN 0.446 nan 8.280 nan 0.000 0.566 1214 Q N 0.879 120.661 119.800 -0.030 0.000 2.349 1214 Q HA 0.277 4.617 4.340 0.000 0.000 0.287 1214 Q C 1.466 177.463 176.000 -0.006 0.000 1.044 1214 Q CA 1.390 57.202 55.803 0.015 0.000 0.918 1214 Q CB 0.570 29.335 28.738 0.045 0.000 1.242 1214 Q HN 0.867 nan 8.270 nan 0.000 0.405 1215 G N 2.716 111.513 108.800 -0.004 0.000 2.176 1215 G HA2 -0.228 3.732 3.960 0.000 0.000 0.253 1215 G HA3 -0.228 3.732 3.960 0.000 0.000 0.253 1215 G C -0.168 174.706 174.900 -0.044 0.000 0.979 1215 G CA 0.205 45.291 45.100 -0.023 0.000 0.641 1215 G HN 0.483 nan 8.290 nan 0.000 0.530 1216 L N 1.342 122.541 121.223 -0.040 0.000 2.342 1216 L HA 0.670 5.010 4.340 0.000 0.000 0.271 1216 L C 1.016 177.873 176.870 -0.023 0.000 1.008 1216 L CA -0.465 54.340 54.840 -0.057 0.000 0.818 1216 L CB 2.005 44.000 42.059 -0.106 0.000 1.296 1216 L HN 0.351 nan 8.230 nan 0.000 0.427 1217 S N 0.090 115.775 115.700 -0.025 0.000 2.632 1217 S HA 0.202 4.672 4.470 0.000 0.000 0.267 1217 S C 0.764 175.358 174.600 -0.009 0.000 1.276 1217 S CA -0.753 57.443 58.200 -0.007 0.000 0.998 1217 S CB 1.040 64.236 63.200 -0.007 0.000 0.953 1217 S HN 0.599 nan 8.310 nan 0.000 0.547 1218 N N 1.401 120.106 118.700 0.008 0.000 2.137 1218 N HA -0.143 4.597 4.740 0.000 0.000 0.190 1218 N C 1.517 177.021 175.510 -0.010 0.000 1.017 1218 N CA 1.329 54.384 53.050 0.008 0.000 0.859 1218 N CB -0.544 37.961 38.487 0.029 0.000 1.002 1218 N HN 0.684 nan 8.380 nan 0.000 0.428 1219 E N 1.118 121.313 120.200 -0.007 0.000 2.051 1219 E HA -0.152 4.198 4.350 0.000 0.000 0.192 1219 E C 1.861 178.450 176.600 -0.018 0.000 0.991 1219 E CA 1.034 57.428 56.400 -0.011 0.000 0.799 1219 E CB -0.043 29.653 29.700 -0.006 0.000 0.748 1219 E HN 0.500 nan 8.360 nan 0.000 0.449 1220 Q N -0.148 119.638 119.800 -0.023 0.000 2.083 1220 Q HA -0.082 4.258 4.340 0.000 0.000 0.198 1220 Q C 2.355 178.339 176.000 -0.027 0.000 0.969 1220 Q CA 0.990 56.779 55.803 -0.025 0.000 0.838 1220 Q CB 0.115 28.827 28.738 -0.044 0.000 0.900 1220 Q HN 0.076 nan 8.270 nan 0.000 0.436 1221 V N 1.317 121.187 119.914 -0.073 0.000 2.252 1221 V HA -0.293 3.827 4.120 0.000 0.000 0.249 1221 V C 2.202 178.213 176.094 -0.139 0.000 1.056 1221 V CA 1.467 63.669 62.300 -0.163 0.000 1.022 1221 V CB -0.669 31.018 31.823 -0.225 0.000 0.641 1221 V HN 0.452 nan 8.190 nan 0.000 0.445 1222 L N 0.469 121.633 121.223 -0.099 0.000 1.991 1222 L HA -0.276 4.064 4.340 0.000 0.000 0.221 1222 L C 2.623 179.451 176.870 -0.071 0.000 1.079 1222 L CA 2.802 57.590 54.840 -0.087 0.000 0.778 1222 L CB -1.117 40.911 42.059 -0.051 0.000 0.893 1222 L HN 0.378 nan 8.230 nan 0.000 0.437 1223 R N -1.492 118.993 120.500 -0.026 0.000 2.075 1223 R HA -0.228 4.112 4.340 0.000 0.000 0.232 1223 R C 2.449 178.762 176.300 0.021 0.000 1.126 1223 R CA 1.739 57.837 56.100 -0.004 0.000 0.963 1223 R CB -0.579 29.730 30.300 0.015 0.000 0.858 1223 R HN 0.333 nan 8.270 nan 0.000 0.435 1224 F N 1.027 120.909 119.950 -0.113 0.000 2.046 1224 F HA -0.217 4.310 4.527 0.000 0.000 0.297 1224 F C 1.910 177.650 175.800 -0.100 0.000 1.123 1224 F CA 1.817 59.754 58.000 -0.105 0.000 1.199 1224 F CB -0.630 38.290 39.000 -0.134 0.000 0.972 1224 F HN -0.172 nan 8.300 nan 0.000 0.474 1225 V N 0.740 120.475 119.914 -0.298 0.000 2.343 1225 V HA -0.354 3.766 4.120 0.000 0.000 0.247 1225 V C 2.547 178.508 176.094 -0.221 0.000 1.051 1225 V CA 2.283 64.365 62.300 -0.364 0.000 1.036 1225 V CB -0.758 30.873 31.823 -0.319 0.000 0.654 1225 V HN 0.425 nan 8.190 nan 0.000 0.451 1226 M N -0.641 118.864 119.600 -0.158 0.000 2.267 1226 M HA -0.187 4.293 4.480 0.000 0.000 0.263 1226 M C 1.905 178.238 176.300 0.054 0.000 1.063 1226 M CA 1.644 56.907 55.300 -0.061 0.000 1.090 1226 M CB -0.245 32.311 32.600 -0.072 0.000 1.392 1226 M HN 0.400 nan 8.290 nan 0.000 0.422 1227 E N -1.298 118.870 120.200 -0.053 0.000 2.474 1227 E HA 0.118 4.468 4.350 0.000 0.000 0.195 1227 E C 1.048 177.551 176.600 -0.163 0.000 1.039 1227 E CA 0.386 56.730 56.400 -0.094 0.000 0.881 1227 E CB 0.551 30.201 29.700 -0.082 0.000 0.970 1227 E HN 0.634 nan 8.360 nan 0.000 0.486 1228 G N 0.832 109.556 108.800 -0.127 0.000 2.273 1228 G HA2 -0.164 3.796 3.960 0.000 0.000 0.162 1228 G HA3 -0.164 3.796 3.960 0.000 0.000 0.162 1228 G C 0.509 175.292 174.900 -0.194 0.000 1.006 1228 G CA -0.483 44.555 45.100 -0.103 0.000 0.704 1228 G HN 0.398 nan 8.290 nan 0.000 0.487 1229 G N -0.151 108.297 108.800 -0.588 0.000 2.594 1229 G HA2 0.561 4.521 3.960 0.000 0.000 0.243 1229 G HA3 0.561 4.521 3.960 0.000 0.000 0.243 1229 G C -0.061 174.510 174.900 -0.548 0.000 1.229 1229 G CA 0.040 44.464 45.100 -1.127 0.000 0.843 1229 G HN 0.695 nan 8.290 nan 0.000 0.578 1230 L N 0.122 121.291 121.223 -0.090 0.000 2.393 1230 L HA 0.398 4.738 4.340 0.000 0.000 0.260 1230 L C -0.105 176.846 176.870 0.134 0.000 1.002 1230 L CA -0.993 53.857 54.840 0.016 0.000 0.818 1230 L CB 2.180 44.305 42.059 0.110 0.000 1.369 1230 L HN 0.324 nan 8.230 nan 0.000 0.412 1231 L N 1.396 122.428 121.223 -0.318 0.000 2.456 1231 L HA 0.091 4.431 4.340 0.000 0.000 0.272 1231 L C -0.158 176.779 176.870 0.112 0.000 1.189 1231 L CA -0.098 54.490 54.840 -0.419 0.000 0.846 1231 L CB 0.190 41.525 42.059 -1.206 0.000 1.111 1231 L HN 0.448 nan 8.230 nan 0.000 0.475 1232 D N 2.592 123.078 120.400 0.144 0.000 2.350 1232 D HA 0.040 4.680 4.640 0.000 0.000 0.249 1232 D C 0.129 176.568 176.300 0.230 0.000 1.119 1232 D CA -0.221 53.896 54.000 0.196 0.000 0.886 1232 D CB 0.890 41.753 40.800 0.105 0.000 1.195 1232 D HN 0.282 nan 8.370 nan 0.000 0.437 1233 K N 3.038 123.314 120.400 -0.205 0.000 2.491 1233 K HA 0.033 4.353 4.320 0.000 0.000 0.279 1233 K C -2.308 174.139 176.600 -0.255 0.000 1.026 1233 K CA -0.861 54.990 56.287 -0.727 0.000 1.070 1233 K CB 0.215 31.907 32.500 -1.347 0.000 0.887 1233 K HN 0.086 nan 8.250 nan 0.000 0.481 1234 P HA 0.001 nan 4.420 nan 0.000 0.268 1234 P C -1.132 176.047 177.300 -0.201 0.000 1.205 1234 P CA -0.051 62.907 63.100 -0.236 0.000 0.771 1234 P CB 0.481 31.938 31.700 -0.406 0.000 0.858 1235 D N 2.787 123.092 120.400 -0.158 0.000 2.383 1235 D HA 0.041 4.681 4.640 0.000 0.000 0.252 1235 D C 0.604 176.828 176.300 -0.127 0.000 1.166 1235 D CA 0.517 54.441 54.000 -0.126 0.000 0.879 1235 D CB -0.250 40.493 40.800 -0.094 0.000 1.164 1235 D HN 0.456 nan 8.370 nan 0.000 0.462 1236 N N -0.247 118.387 118.700 -0.111 0.000 3.003 1236 N HA -0.173 4.567 4.740 0.000 0.000 0.237 1236 N C -0.377 175.071 175.510 -0.104 0.000 0.969 1236 N CA 0.101 53.092 53.050 -0.098 0.000 0.941 1236 N CB -1.161 37.269 38.487 -0.095 0.000 1.098 1236 N HN 0.401 nan 8.380 nan 0.000 0.563 1237 C N 2.056 121.284 119.300 -0.120 0.000 2.325 1237 C HA 0.432 4.892 4.460 0.000 0.000 0.347 1237 C C -1.926 173.028 174.990 -0.060 0.000 1.263 1237 C CA -1.689 57.267 59.018 -0.103 0.000 1.806 1237 C CB -0.155 27.509 27.740 -0.126 0.000 2.405 1237 C HN 0.128 nan 8.230 nan 0.000 0.537 1238 P HA 0.057 nan 4.420 nan 0.000 0.264 1238 P C 0.586 177.899 177.300 0.021 0.000 1.183 1238 P CA 0.495 63.585 63.100 -0.016 0.000 0.763 1238 P CB 0.553 32.241 31.700 -0.020 0.000 0.807 1239 D N 1.944 122.361 120.400 0.029 0.000 2.149 1239 D HA -0.172 4.468 4.640 0.000 0.000 0.198 1239 D C 1.615 177.964 176.300 0.082 0.000 0.990 1239 D CA 1.230 55.275 54.000 0.075 0.000 0.839 1239 D CB -0.110 40.721 40.800 0.052 0.000 0.948 1239 D HN 0.367 nan 8.370 nan 0.000 0.460 1240 M N 0.397 120.017 119.600 0.034 0.000 2.065 1240 M HA -0.203 4.277 4.480 0.000 0.000 0.259 1240 M C 2.147 178.446 176.300 -0.001 0.000 1.069 1240 M CA 1.241 56.546 55.300 0.009 0.000 1.110 1240 M CB -0.430 32.166 32.600 -0.007 0.000 1.328 1240 M HN 0.028 nan 8.290 nan 0.000 0.405 1241 L N 0.185 121.412 121.223 0.007 0.000 2.141 1241 L HA -0.143 4.197 4.340 0.000 0.000 0.209 1241 L C 2.156 179.021 176.870 -0.008 0.000 1.094 1241 L CA 1.490 56.319 54.840 -0.017 0.000 0.763 1241 L CB -0.919 41.128 42.059 -0.020 0.000 0.908 1241 L HN 0.349 nan 8.230 nan 0.000 0.437 1242 F N -0.063 119.837 119.950 -0.084 0.000 2.206 1242 F HA -0.107 4.420 4.527 0.000 0.000 0.298 1242 F C 2.312 178.051 175.800 -0.103 0.000 1.090 1242 F CA 1.140 59.094 58.000 -0.077 0.000 1.323 1242 F CB -0.077 38.914 39.000 -0.015 0.000 1.028 1242 F HN 0.081 nan 8.300 nan 0.000 0.492 1243 E N 0.603 120.735 120.200 -0.113 0.000 2.118 1243 E HA -0.212 4.138 4.350 0.000 0.000 0.195 1243 E C 2.543 178.974 176.600 -0.281 0.000 0.992 1243 E CA 0.937 57.220 56.400 -0.196 0.000 0.804 1243 E CB -0.856 28.805 29.700 -0.064 0.000 0.741 1243 E HN 0.424 nan 8.360 nan 0.000 0.458 1244 L N -0.019 121.065 121.223 -0.232 0.000 2.046 1244 L HA -0.178 4.162 4.340 0.000 0.000 0.208 1244 L C 2.382 179.008 176.870 -0.406 0.000 1.077 1244 L CA 1.120 55.824 54.840 -0.227 0.000 0.747 1244 L CB -0.221 41.761 42.059 -0.129 0.000 0.896 1244 L HN 0.223 nan 8.230 nan 0.000 0.432 1245 M N -0.976 118.255 119.600 -0.615 0.000 2.065 1245 M HA -0.268 4.212 4.480 0.000 0.000 0.259 1245 M C 2.283 177.798 176.300 -1.307 0.000 1.069 1245 M CA 1.806 56.396 55.300 -1.185 0.000 1.110 1245 M CB -0.564 31.212 32.600 -1.373 0.000 1.328 1245 M HN 0.135 nan 8.290 nan 0.000 0.405 1246 R N 0.156 120.102 120.500 -0.923 0.000 2.119 1246 R HA -0.180 4.160 4.340 0.000 0.000 0.246 1246 R C 2.144 178.270 176.300 -0.291 0.000 1.146 1246 R CA 1.850 57.658 56.100 -0.488 0.000 0.962 1246 R CB -0.520 29.531 30.300 -0.415 0.000 0.863 1246 R HN 0.466 nan 8.270 nan 0.000 0.442 1247 M N -0.465 118.953 119.600 -0.303 0.000 2.086 1247 M HA -0.187 4.293 4.480 0.000 0.000 0.261 1247 M C 2.508 178.706 176.300 -0.170 0.000 1.067 1247 M CA 1.368 56.561 55.300 -0.179 0.000 1.116 1247 M CB -0.426 32.083 32.600 -0.153 0.000 1.348 1247 M HN 0.228 nan 8.290 nan 0.000 0.407 1248 C N -0.576 118.535 119.300 -0.316 0.000 2.419 1248 C HA -0.140 4.320 4.460 0.000 0.000 0.283 1248 C C 1.774 176.693 174.990 -0.118 0.000 1.373 1248 C CA 0.298 59.163 59.018 -0.254 0.000 1.781 1248 C CB -1.177 26.345 27.740 -0.363 0.000 1.886 1248 C HN 0.663 nan 8.230 nan 0.000 0.520 1249 W N 0.295 121.471 121.300 -0.207 0.000 3.239 1249 W HA 0.276 4.936 4.660 0.000 0.000 0.368 1249 W C 0.565 177.166 176.519 0.136 0.000 1.154 1249 W CA -0.560 56.635 57.345 -0.251 0.000 1.860 1249 W CB -1.043 28.076 29.460 -0.569 0.000 1.094 1249 W HN 0.341 nan 8.180 nan 0.000 0.643 1250 Q N 0.421 120.381 119.800 0.268 0.000 2.310 1250 Q HA -0.171 4.169 4.340 0.000 0.000 0.315 1250 Q C 1.035 177.215 176.000 0.300 0.000 1.081 1250 Q CA 0.501 56.439 55.803 0.225 0.000 0.981 1250 Q CB 0.422 29.224 28.738 0.107 0.000 1.184 1250 Q HN 0.336 nan 8.270 nan 0.000 0.389 1251 Y N 3.042 123.433 120.300 0.152 0.000 2.114 1251 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 1251 Y C 1.052 176.970 175.900 0.029 0.000 1.143 1251 Y CA 1.669 59.824 58.100 0.091 0.000 1.135 1251 Y CB 0.191 38.667 38.460 0.027 0.000 0.980 1251 Y HN 0.630 nan 8.280 nan 0.000 0.499 1252 N N 1.427 120.234 118.700 0.179 0.000 2.427 1252 N HA 0.002 4.742 4.740 0.000 0.000 0.269 1252 N C -2.082 173.392 175.510 -0.060 0.000 1.235 1252 N CA -1.527 51.549 53.050 0.043 0.000 0.934 1252 N CB 0.988 39.499 38.487 0.040 0.000 1.121 1252 N HN 0.066 nan 8.380 nan 0.000 0.480 1253 P HA -0.198 nan 4.420 nan 0.000 0.216 1253 P C 0.829 177.800 177.300 -0.547 0.000 1.154 1253 P CA 1.641 64.616 63.100 -0.208 0.000 0.865 1253 P CB 0.262 31.890 31.700 -0.121 0.000 0.789 1254 K N -1.433 118.655 120.400 -0.519 0.000 2.281 1254 K HA -0.062 4.258 4.320 0.000 0.000 0.203 1254 K C 1.657 178.073 176.600 -0.306 0.000 1.046 1254 K CA 1.054 57.019 56.287 -0.536 0.000 0.938 1254 K CB -0.286 32.050 32.500 -0.274 0.000 0.737 1254 K HN 0.127 nan 8.250 nan 0.000 0.458 1255 M N 0.663 120.152 119.600 -0.185 0.000 2.556 1255 M HA 0.015 4.495 4.480 0.000 0.000 0.245 1255 M C 0.296 176.554 176.300 -0.070 0.000 1.128 1255 M CA 0.757 56.003 55.300 -0.090 0.000 1.069 1255 M CB -0.270 32.310 32.600 -0.033 0.000 1.469 1255 M HN -0.019 nan 8.290 nan 0.000 0.494 1256 R N 0.735 121.184 120.500 -0.085 0.000 2.560 1256 R HA 0.383 4.723 4.340 0.000 0.000 0.270 1256 R C -2.266 174.002 176.300 -0.052 0.000 1.074 1256 R CA -1.649 54.426 56.100 -0.041 0.000 1.140 1256 R CB -0.644 29.665 30.300 0.015 0.000 1.073 1256 R HN -0.014 nan 8.270 nan 0.000 0.527 1257 P HA 0.001 nan 4.420 nan 0.000 0.272 1257 P C -0.421 176.816 177.300 -0.105 0.000 1.230 1257 P CA -0.374 62.682 63.100 -0.075 0.000 0.788 1257 P CB 0.723 32.367 31.700 -0.093 0.000 0.949 1258 S N 0.263 115.926 115.700 -0.063 0.000 2.645 1258 S HA 0.240 4.710 4.470 0.000 0.000 0.266 1258 S C 0.774 175.286 174.600 -0.147 0.000 1.258 1258 S CA -0.243 57.909 58.200 -0.080 0.000 0.990 1258 S CB -0.097 63.131 63.200 0.046 0.000 0.967 1258 S HN 0.184 nan 8.310 nan 0.000 0.556 1259 F N 0.113 120.051 119.950 -0.020 0.000 2.365 1259 F HA 0.133 4.660 4.527 0.000 0.000 0.300 1259 F C 1.919 177.713 175.800 -0.009 0.000 1.090 1259 F CA 0.594 58.532 58.000 -0.104 0.000 1.408 1259 F CB -0.601 38.343 39.000 -0.093 0.000 1.060 1259 F HN 0.443 nan 8.300 nan 0.000 0.534 1260 L N -0.636 120.734 121.223 0.245 0.000 2.072 1260 L HA -0.157 4.183 4.340 0.000 0.000 0.205 1260 L C 2.296 179.273 176.870 0.177 0.000 1.079 1260 L CA 1.326 56.331 54.840 0.275 0.000 0.752 1260 L CB -0.568 41.652 42.059 0.268 0.000 0.906 1260 L HN 0.102 nan 8.230 nan 0.000 0.436 1261 E N 0.359 120.617 120.200 0.098 0.000 2.077 1261 E HA -0.221 4.129 4.350 0.000 0.000 0.193 1261 E C 2.251 178.850 176.600 -0.002 0.000 0.989 1261 E CA 1.196 57.624 56.400 0.048 0.000 0.800 1261 E CB -0.028 29.685 29.700 0.021 0.000 0.746 1261 E HN 0.427 nan 8.360 nan 0.000 0.452 1262 I N 0.849 121.403 120.570 -0.028 0.000 2.127 1262 I HA -0.321 3.849 4.170 0.000 0.000 0.241 1262 I C 2.384 178.456 176.117 -0.076 0.000 1.075 1262 I CA 1.241 62.511 61.300 -0.050 0.000 1.334 1262 I CB -0.372 37.577 38.000 -0.084 0.000 1.040 1262 I HN 0.133 nan 8.210 nan 0.000 0.405 1263 I N 0.179 120.686 120.570 -0.105 0.000 2.208 1263 I HA -0.339 3.831 4.170 0.000 0.000 0.245 1263 I C 2.730 178.619 176.117 -0.379 0.000 1.097 1263 I CA 1.562 62.703 61.300 -0.264 0.000 1.363 1263 I CB -0.347 37.442 38.000 -0.352 0.000 1.051 1263 I HN 0.209 nan 8.210 nan 0.000 0.413 1264 S N 0.054 115.595 115.700 -0.266 0.000 2.474 1264 S HA -0.131 4.339 4.470 0.000 0.000 0.235 1264 S C 2.005 176.555 174.600 -0.083 0.000 0.997 1264 S CA 1.491 59.596 58.200 -0.157 0.000 0.949 1264 S CB -0.258 62.984 63.200 0.071 0.000 0.766 1264 S HN 0.599 nan 8.310 nan 0.000 0.517 1265 S N 0.564 116.215 115.700 -0.083 0.000 2.535 1265 S HA 0.218 4.688 4.470 0.000 0.000 0.214 1265 S C 1.266 175.829 174.600 -0.063 0.000 0.980 1265 S CA 0.123 58.293 58.200 -0.050 0.000 0.907 1265 S CB -0.422 62.756 63.200 -0.037 0.000 0.790 1265 S HN 0.781 nan 8.310 nan 0.000 0.510 1266 I N -1.928 118.578 120.570 -0.106 0.000 4.442 1266 I HA 0.349 4.519 4.170 0.000 0.000 0.331 1266 I C 1.593 177.620 176.117 -0.151 0.000 1.364 1266 I CA -0.529 60.704 61.300 -0.112 0.000 1.207 1266 I CB 0.058 37.988 38.000 -0.116 0.000 1.298 1266 I HN 0.055 nan 8.210 nan 0.000 0.463 1267 K N 1.311 121.608 120.400 -0.172 0.000 2.160 1267 K HA -0.176 4.144 4.320 0.000 0.000 0.206 1267 K C 1.338 177.924 176.600 -0.023 0.000 1.047 1267 K CA 1.866 58.061 56.287 -0.153 0.000 0.930 1267 K CB -0.323 32.123 32.500 -0.090 0.000 0.720 1267 K HN 0.228 nan 8.250 nan 0.000 0.450 1268 E N 0.902 121.101 120.200 -0.003 0.000 2.482 1268 E HA -0.037 4.313 4.350 0.000 0.000 0.196 1268 E C 0.628 177.227 176.600 -0.001 0.000 1.047 1268 E CA 0.596 57.013 56.400 0.029 0.000 0.869 1268 E CB 0.308 30.029 29.700 0.034 0.000 0.836 1268 E HN 0.370 nan 8.360 nan 0.000 0.520 1269 E N -0.974 119.201 120.200 -0.042 0.000 2.498 1269 E HA 0.142 4.492 4.350 0.000 0.000 0.203 1269 E C -0.294 176.261 176.600 -0.074 0.000 1.013 1269 E CA -0.038 56.333 56.400 -0.049 0.000 0.927 1269 E CB 0.305 29.972 29.700 -0.055 0.000 1.012 1269 E HN 0.092 nan 8.360 nan 0.000 0.482 1270 M N 1.183 120.716 119.600 -0.112 0.000 2.250 1270 M HA 0.191 4.671 4.480 0.000 0.000 0.344 1270 M C 0.467 176.759 176.300 -0.013 0.000 1.150 1270 M CA -0.010 55.196 55.300 -0.157 0.000 1.147 1270 M CB 0.555 32.892 32.600 -0.439 0.000 1.498 1270 M HN -0.005 nan 8.290 nan 0.000 0.461 1271 E N 3.339 123.553 120.200 0.024 0.000 2.438 1271 E HA -0.041 4.309 4.350 0.000 0.000 0.261 1271 E C -1.340 175.343 176.600 0.139 0.000 1.103 1271 E CA -1.133 55.313 56.400 0.077 0.000 0.959 1271 E CB 0.235 29.987 29.700 0.086 0.000 0.958 1271 E HN 0.424 nan 8.360 nan 0.000 0.447 1272 P HA -0.207 nan 4.420 nan 0.000 0.216 1272 P C 1.360 178.752 177.300 0.155 0.000 1.153 1272 P CA 1.608 64.777 63.100 0.114 0.000 0.858 1272 P CB -0.076 31.668 31.700 0.073 0.000 0.789 1273 G N -0.447 108.452 108.800 0.164 0.000 2.507 1273 G HA2 -0.318 3.642 3.960 0.000 0.000 0.221 1273 G HA3 -0.318 3.642 3.960 0.000 0.000 0.221 1273 G C 1.402 176.447 174.900 0.241 0.000 1.119 1273 G CA 0.540 45.743 45.100 0.171 0.000 0.751 1273 G HN 0.149 nan 8.290 nan 0.000 0.574 1274 F N 1.856 121.911 119.950 0.176 0.000 2.063 1274 F HA -0.285 4.242 4.527 0.000 0.000 0.298 1274 F C 2.739 178.716 175.800 0.295 0.000 1.105 1274 F CA 2.386 60.542 58.000 0.260 0.000 1.215 1274 F CB -0.350 38.799 39.000 0.248 0.000 0.972 1274 F HN 0.200 nan 8.300 nan 0.000 0.483 1275 R N 0.765 121.420 120.500 0.259 0.000 2.139 1275 R HA -0.230 4.110 4.340 0.000 0.000 0.243 1275 R C 2.067 178.354 176.300 -0.021 0.000 1.145 1275 R CA 2.030 58.145 56.100 0.024 0.000 0.976 1275 R CB -0.717 29.423 30.300 -0.267 0.000 0.866 1275 R HN 0.669 nan 8.270 nan 0.000 0.449 1276 E N -0.008 120.188 120.200 -0.005 0.000 2.479 1276 E HA -0.032 4.318 4.350 0.000 0.000 0.193 1276 E C 0.992 177.561 176.600 -0.051 0.000 1.049 1276 E CA 0.840 57.222 56.400 -0.030 0.000 0.870 1276 E CB 0.697 30.380 29.700 -0.028 0.000 0.944 1276 E HN 0.388 nan 8.360 nan 0.000 0.492 1277 V N -1.901 117.986 119.914 -0.045 0.000 3.426 1277 V HA 0.195 4.315 4.120 0.000 0.000 0.279 1277 V C 0.915 176.985 176.094 -0.040 0.000 1.544 1277 V CA 0.062 62.314 62.300 -0.080 0.000 1.017 1277 V CB 0.160 31.927 31.823 -0.093 0.000 0.821 1277 V HN 0.230 nan 8.190 nan 0.000 0.432 1278 S N 0.236 115.850 115.700 -0.144 0.000 2.614 1278 S HA 0.403 4.873 4.470 0.000 0.000 0.265 1278 S C 0.665 175.275 174.600 0.016 0.000 1.303 1278 S CA 0.284 58.368 58.200 -0.194 0.000 1.000 1278 S CB 1.047 63.638 63.200 -1.016 0.000 0.935 1278 S HN 0.495 nan 8.310 nan 0.000 0.551 1279 F N 1.248 121.206 119.950 0.013 0.000 2.335 1279 F HA 0.074 4.601 4.527 0.000 0.000 0.296 1279 F C 1.929 177.779 175.800 0.083 0.000 1.091 1279 F CA 0.718 58.762 58.000 0.074 0.000 1.399 1279 F CB -0.700 38.397 39.000 0.162 0.000 1.067 1279 F HN 0.808 nan 8.300 nan 0.000 0.520 1280 Y N -0.181 120.007 120.300 -0.186 0.000 2.193 1280 Y HA -0.288 4.262 4.550 0.000 0.000 0.285 1280 Y C 1.012 176.665 175.900 -0.412 0.000 1.166 1280 Y CA 2.081 59.972 58.100 -0.347 0.000 1.181 1280 Y CB -0.555 37.781 38.460 -0.207 0.000 0.976 1280 Y HN 0.202 nan 8.280 nan 0.000 0.520 1281 Y N -0.010 120.212 120.300 -0.129 0.000 2.658 1281 Y HA 0.205 4.755 4.550 0.000 0.000 0.276 1281 Y C 0.659 176.465 175.900 -0.158 0.000 1.167 1281 Y CA -0.469 57.551 58.100 -0.133 0.000 1.230 1281 Y CB 0.201 38.650 38.460 -0.018 0.000 1.144 1281 Y HN -0.000 nan 8.280 nan 0.000 0.529 1282 S N -1.498 114.142 115.700 -0.101 0.000 2.718 1282 S HA 0.247 4.717 4.470 0.000 0.000 0.300 1282 S C 0.943 175.484 174.600 -0.098 0.000 1.117 1282 S CA -0.806 57.354 58.200 -0.068 0.000 1.002 1282 S CB 1.663 64.853 63.200 -0.016 0.000 1.092 1282 S HN 0.141 nan 8.310 nan 0.000 0.542 1283 E N 1.377 121.556 120.200 -0.034 0.000 2.077 1283 E HA -0.150 4.200 4.350 0.000 0.000 0.193 1283 E C 1.762 178.349 176.600 -0.022 0.000 0.989 1283 E CA 1.591 57.976 56.400 -0.026 0.000 0.800 1283 E CB -0.515 29.186 29.700 0.002 0.000 0.746 1283 E HN 0.847 nan 8.360 nan 0.000 0.452 1284 E N 0.975 121.192 120.200 0.029 0.000 2.219 1284 E HA -0.175 4.175 4.350 0.000 0.000 0.198 1284 E C 0.851 177.463 176.600 0.020 0.000 0.998 1284 E CA 0.594 57.055 56.400 0.102 0.000 0.818 1284 E CB -0.235 29.640 29.700 0.291 0.000 0.741 1284 E HN -0.006 nan 8.360 nan 0.000 0.477 1285 N N 1.315 119.882 118.700 -0.222 0.000 2.663 1285 N HA 0.128 4.868 4.740 0.000 0.000 0.250 1285 N C -1.173 174.198 175.510 -0.231 0.000 1.129 1285 N CA 0.230 53.045 53.050 -0.392 0.000 0.995 1285 N CB 0.094 38.031 38.487 -0.917 0.000 1.324 1285 N HN -0.018 nan 8.380 nan 0.000 0.512 1286 K N 0.000 120.335 120.400 -0.108 0.000 2.780 1286 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1286 K CA 0.000 56.242 56.287 -0.074 0.000 0.838 1286 K CB 0.000 32.463 32.500 -0.061 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543