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_R DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXPPSL 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 0.000 174.668 174.600 0.113 0.000 1.055 980 S CA 0.000 58.253 58.200 0.088 0.000 1.107 980 S CB 0.000 63.230 63.200 0.050 0.000 0.593 981 F N 4.695 124.655 119.950 0.017 0.000 2.572 981 F HA 0.547 5.074 4.527 0.000 0.000 0.370 981 F C 0.802 176.619 175.800 0.029 0.000 1.103 981 F CA 1.433 59.447 58.000 0.023 0.000 1.286 981 F CB 0.815 39.827 39.000 0.021 0.000 1.105 981 F HN 0.701 nan 8.300 nan 0.000 0.583 982 S N 3.040 118.583 115.700 -0.262 0.000 2.615 982 S HA 0.650 5.120 4.470 0.000 0.000 0.269 982 S C 0.331 174.831 174.600 -0.166 0.000 1.161 982 S CA -0.544 57.595 58.200 -0.102 0.000 0.817 982 S CB 1.040 64.204 63.200 -0.060 0.000 1.131 982 S HN 0.869 nan 8.310 nan 0.000 0.467 983 A N 0.976 123.782 122.820 -0.023 0.000 1.997 983 A HA 0.051 4.371 4.320 0.000 0.000 0.221 983 A C 2.287 179.902 177.584 0.052 0.000 1.172 983 A CA 2.457 54.531 52.037 0.063 0.000 0.645 983 A CB -1.681 17.266 19.000 -0.089 0.000 0.813 983 A HN 1.689 nan 8.150 nan 0.000 0.454 984 A N -0.553 122.234 122.820 -0.054 0.000 2.076 984 A HA -0.196 4.124 4.320 0.000 0.000 0.220 984 A C 1.719 179.248 177.584 -0.091 0.000 1.160 984 A CA 1.772 53.777 52.037 -0.053 0.000 0.653 984 A CB -0.437 18.532 19.000 -0.053 0.000 0.801 984 A HN 0.547 nan 8.150 nan 0.000 0.455 985 D N -0.971 119.288 120.400 -0.234 0.000 2.234 985 D HA -0.044 4.596 4.640 0.000 0.000 0.205 985 D C 1.965 178.145 176.300 -0.200 0.000 0.962 985 D CA 1.564 55.369 54.000 -0.325 0.000 0.855 985 D CB 0.293 40.620 40.800 -0.787 0.000 0.951 985 D HN 0.434 nan 8.370 nan 0.000 0.500 986 V N -1.457 118.376 119.914 -0.133 0.000 3.212 986 V HA 0.028 4.148 4.120 0.000 0.000 0.244 986 V C 1.238 177.247 176.094 -0.140 0.000 1.151 986 V CA 0.395 62.634 62.300 -0.103 0.000 1.119 986 V CB -0.415 31.347 31.823 -0.102 0.000 0.838 986 V HN -0.017 nan 8.190 nan 0.000 0.470 987 Y N 1.793 122.049 120.300 -0.073 0.000 2.490 987 Y HA 0.443 4.993 4.550 0.000 0.000 0.281 987 Y C 0.764 176.609 175.900 -0.091 0.000 1.174 987 Y CA 0.506 58.561 58.100 -0.076 0.000 1.295 987 Y CB 0.598 39.004 38.460 -0.090 0.000 1.062 987 Y HN 0.297 nan 8.280 nan 0.000 0.522 988 V N -1.404 118.539 119.914 0.047 0.000 2.483 988 V HA 0.559 4.679 4.120 0.000 0.000 0.297 988 V C -2.691 173.438 176.094 0.059 0.000 1.027 988 V CA -2.842 59.471 62.300 0.021 0.000 0.855 988 V CB 1.462 33.290 31.823 0.009 0.000 0.995 988 V HN -0.144 nan 8.190 nan 0.000 0.424 989 P HA 0.151 nan 4.420 nan 0.000 0.268 989 P C 0.122 177.506 177.300 0.141 0.000 1.204 989 P CA 0.182 63.362 63.100 0.133 0.000 0.768 989 P CB 0.818 32.653 31.700 0.224 0.000 0.842 990 D N 1.481 121.919 120.400 0.064 0.000 2.403 990 D HA -0.150 4.490 4.640 0.000 0.000 0.227 990 D C 0.500 176.803 176.300 0.005 0.000 0.995 990 D CA 0.784 54.806 54.000 0.036 0.000 0.928 990 D CB -0.376 40.431 40.800 0.012 0.000 0.887 990 D HN 0.478 nan 8.370 nan 0.000 0.529 991 E N -1.269 118.923 120.200 -0.013 0.000 2.479 991 E HA 0.083 4.433 4.350 0.000 0.000 0.193 991 E C 0.314 176.661 176.600 -0.421 0.000 1.049 991 E CA -0.005 56.273 56.400 -0.204 0.000 0.870 991 E CB -0.038 29.506 29.700 -0.261 0.000 0.944 991 E HN 0.413 nan 8.360 nan 0.000 0.492 992 W N 0.855 122.132 121.300 -0.038 0.000 2.714 992 W HA 0.227 4.887 4.660 0.000 0.000 0.353 992 W C 0.343 176.840 176.519 -0.036 0.000 0.999 992 W CA -0.605 56.715 57.345 -0.042 0.000 1.629 992 W CB 0.671 30.097 29.460 -0.057 0.000 1.106 992 W HN -0.098 nan 8.180 nan 0.000 0.545 993 E N 1.853 122.126 120.200 0.121 0.000 2.338 993 E HA 0.311 4.661 4.350 0.000 0.000 0.272 993 E C -0.540 176.081 176.600 0.035 0.000 1.029 993 E CA -0.256 56.187 56.400 0.071 0.000 0.872 993 E CB 1.382 31.106 29.700 0.040 0.000 1.015 993 E HN -0.103 nan 8.360 nan 0.000 0.417 994 V N 2.547 122.483 119.914 0.036 0.000 2.962 994 V HA 0.773 4.893 4.120 0.000 0.000 0.313 994 V C -0.905 175.196 176.094 0.013 0.000 1.099 994 V CA -0.385 61.926 62.300 0.019 0.000 0.971 994 V CB 1.727 33.565 31.823 0.025 0.000 1.028 994 V HN 0.834 nan 8.190 nan 0.000 0.430 995 A N 4.739 127.562 122.820 0.005 0.000 2.454 995 A HA 0.388 4.708 4.320 0.000 0.000 0.260 995 A C 1.213 178.798 177.584 0.002 0.000 1.106 995 A CA 0.305 52.343 52.037 0.002 0.000 0.780 995 A CB 0.021 19.020 19.000 -0.001 0.000 1.044 995 A HN 1.149 nan 8.150 nan 0.000 0.498 996 R N 2.019 122.519 120.500 -0.000 0.000 2.249 996 R HA -0.172 4.168 4.340 0.000 0.000 0.230 996 R C 1.298 177.593 176.300 -0.008 0.000 1.121 996 R CA 1.880 57.977 56.100 -0.005 0.000 0.997 996 R CB -0.058 30.236 30.300 -0.009 0.000 0.867 996 R HN 0.905 nan 8.270 nan 0.000 0.465 997 E N 1.108 121.304 120.200 -0.006 0.000 2.106 997 E HA -0.203 4.147 4.350 0.000 0.000 0.192 997 E C 1.019 177.616 176.600 -0.005 0.000 0.984 997 E CA 1.137 57.533 56.400 -0.007 0.000 0.806 997 E CB -0.257 29.440 29.700 -0.005 0.000 0.750 997 E HN 0.390 nan 8.360 nan 0.000 0.458 998 K N 0.333 120.731 120.400 -0.003 0.000 2.551 998 K HA 0.106 4.426 4.320 0.000 0.000 0.192 998 K C 0.038 176.639 176.600 0.002 0.000 1.027 998 K CA 0.126 56.412 56.287 -0.000 0.000 1.059 998 K CB 0.255 32.755 32.500 0.001 0.000 0.831 998 K HN 0.081 nan 8.250 nan 0.000 0.508 999 I N 1.200 121.769 120.570 -0.001 0.000 2.474 999 I HA 0.104 4.274 4.170 0.000 0.000 0.294 999 I C 0.219 176.331 176.117 -0.010 0.000 1.005 999 I CA -0.639 60.660 61.300 -0.001 0.000 1.113 999 I CB 1.608 39.608 38.000 -0.001 0.000 1.289 999 I HN -0.090 nan 8.210 nan 0.000 0.436 1000 T N 5.556 120.107 114.554 -0.005 0.000 2.841 1000 T HA 0.714 5.064 4.350 0.000 0.000 0.285 1000 T C -0.520 174.177 174.700 -0.006 0.000 0.991 1000 T CA -0.778 61.316 62.100 -0.011 0.000 0.966 1000 T CB 1.032 69.899 68.868 -0.002 0.000 0.962 1000 T HN 0.404 nan 8.240 nan 0.000 0.438 1001 M N 3.492 123.074 119.600 -0.030 0.000 2.423 1001 M HA 0.446 4.926 4.480 0.000 0.000 0.335 1001 M C 1.049 177.365 176.300 0.026 0.000 1.177 1001 M CA -1.001 54.290 55.300 -0.015 0.000 1.038 1001 M CB 2.139 34.646 32.600 -0.156 0.000 1.641 1001 M HN 0.913 nan 8.290 nan 0.000 0.455 1002 S N 2.384 118.145 115.700 0.102 0.000 2.998 1002 S HA 0.315 4.785 4.470 0.000 0.000 0.208 1002 S C 0.329 175.029 174.600 0.167 0.000 0.876 1002 S CA -0.341 57.919 58.200 0.100 0.000 0.836 1002 S CB 0.324 63.564 63.200 0.067 0.000 0.817 1002 S HN 0.804 nan 8.310 nan 0.000 0.631 1003 R N 1.649 122.257 120.500 0.181 0.000 2.673 1003 R HA 0.531 4.871 4.340 0.000 0.000 0.281 1003 R C -1.040 175.277 176.300 0.028 0.000 0.991 1003 R CA -0.814 55.365 56.100 0.132 0.000 0.896 1003 R CB 0.954 31.282 30.300 0.047 0.000 1.201 1003 R HN 0.330 nan 8.270 nan 0.000 0.457 1004 E N 3.385 123.444 120.200 -0.236 0.000 2.437 1004 E HA -0.054 4.296 4.350 0.000 0.000 0.263 1004 E C -0.081 176.362 176.600 -0.262 0.000 1.030 1004 E CA -0.013 56.025 56.400 -0.603 0.000 0.934 1004 E CB 0.854 30.151 29.700 -0.671 0.000 0.943 1004 E HN 0.688 nan 8.360 nan 0.000 0.444 1005 L N 0.452 121.534 121.223 -0.235 0.000 2.500 1005 L HA 0.287 4.627 4.340 0.000 0.000 0.219 1005 L C 1.143 177.944 176.870 -0.115 0.000 1.057 1005 L CA 0.737 55.506 54.840 -0.120 0.000 0.854 1005 L CB 0.284 42.303 42.059 -0.067 0.000 1.078 1005 L HN 0.831 nan 8.230 nan 0.000 0.480 1006 G N -0.928 107.782 108.800 -0.150 0.000 2.327 1006 G HA2 0.130 4.090 3.960 0.000 0.000 0.291 1006 G HA3 0.130 4.090 3.960 0.000 0.000 0.291 1006 G C -1.883 172.952 174.900 -0.109 0.000 1.290 1006 G CA -0.701 44.330 45.100 -0.115 0.000 0.857 1006 G HN -0.208 nan 8.290 nan 0.000 0.520 1007 Q N -0.050 119.702 119.800 -0.080 0.000 2.288 1007 Q HA 0.570 4.910 4.340 0.000 0.000 0.258 1007 Q C 0.625 176.589 176.000 -0.060 0.000 0.957 1007 Q CA 0.932 56.693 55.803 -0.070 0.000 0.919 1007 Q CB 1.153 29.852 28.738 -0.064 0.000 1.185 1007 Q HN 0.965 nan 8.270 nan 0.000 0.408 1008 G N 0.648 109.415 108.800 -0.055 0.000 2.491 1008 G HA2 0.347 4.307 3.960 0.000 0.000 0.327 1008 G HA3 0.347 4.307 3.960 0.000 0.000 0.327 1008 G C 0.614 175.460 174.900 -0.090 0.000 1.189 1008 G CA -0.152 44.922 45.100 -0.043 0.000 0.956 1008 G HN 0.745 nan 8.290 nan 0.000 0.491 1009 S N -0.320 115.321 115.700 -0.098 0.000 2.372 1009 S HA -0.184 4.286 4.470 0.000 0.000 0.227 1009 S C 1.536 175.858 174.600 -0.463 0.000 1.044 1009 S CA 1.593 59.630 58.200 -0.273 0.000 1.050 1009 S CB -0.370 62.681 63.200 -0.248 0.000 0.901 1009 S HN 0.409 nan 8.310 nan 0.000 0.447 1010 F N 1.694 121.534 119.950 -0.184 0.000 2.682 1010 F HA 0.544 5.071 4.527 0.000 0.000 0.308 1010 F C 1.375 177.002 175.800 -0.287 0.000 1.093 1010 F CA 0.105 57.925 58.000 -0.300 0.000 1.244 1010 F CB 1.109 39.743 39.000 -0.610 0.000 1.052 1010 F HN 0.538 nan 8.300 nan 0.000 0.573 1011 G N -0.217 108.532 108.800 -0.085 0.000 2.428 1011 G HA2 0.387 4.347 3.960 0.000 0.000 0.305 1011 G HA3 0.387 4.347 3.960 0.000 0.000 0.305 1011 G C -1.870 173.014 174.900 -0.028 0.000 1.260 1011 G CA -0.930 44.133 45.100 -0.062 0.000 0.853 1011 G HN -0.138 nan 8.290 nan 0.000 0.480 1012 M N 0.915 120.529 119.600 0.023 0.000 2.264 1012 M HA 0.686 5.167 4.480 0.000 0.000 0.352 1012 M C -0.660 175.688 176.300 0.080 0.000 1.173 1012 M CA -0.483 54.834 55.300 0.027 0.000 1.075 1012 M CB 1.735 34.374 32.600 0.064 0.000 1.621 1012 M HN 0.321 nan 8.290 nan 0.000 0.457 1013 V N 6.144 126.043 119.914 -0.026 0.000 2.394 1013 V HA 0.411 4.531 4.120 0.000 0.000 0.282 1013 V C -0.979 175.070 176.094 -0.076 0.000 1.031 1013 V CA -0.460 61.855 62.300 0.026 0.000 0.881 1013 V CB 0.721 32.547 31.823 0.005 0.000 0.982 1013 V HN 0.781 nan 8.190 nan 0.000 0.451 1014 Y N 1.806 122.112 120.300 0.010 0.000 2.509 1014 Y HA 0.478 5.028 4.550 0.000 0.000 0.341 1014 Y C 0.423 176.328 175.900 0.010 0.000 1.038 1014 Y CA -0.726 57.379 58.100 0.008 0.000 1.089 1014 Y CB 1.758 40.223 38.460 0.007 0.000 1.241 1014 Y HN 0.671 nan 8.280 nan 0.000 0.468 1015 E N 0.799 121.087 120.200 0.147 0.000 2.319 1015 E HA 0.643 4.993 4.350 0.000 0.000 0.268 1015 E C -0.396 176.270 176.600 0.110 0.000 1.050 1015 E CA -0.309 56.148 56.400 0.095 0.000 0.878 1015 E CB 1.074 30.806 29.700 0.053 0.000 1.066 1015 E HN 0.843 nan 8.360 nan 0.000 0.406 1016 G N 0.648 109.491 108.800 0.071 0.000 2.548 1016 G HA2 0.416 4.376 3.960 0.000 0.000 0.301 1016 G HA3 0.416 4.376 3.960 0.000 0.000 0.301 1016 G C -1.692 173.230 174.900 0.036 0.000 1.349 1016 G CA -0.566 44.567 45.100 0.054 0.000 0.792 1016 G HN 0.471 nan 8.290 nan 0.000 0.481 1017 V N 0.283 120.213 119.914 0.026 0.000 2.531 1017 V HA 0.721 4.842 4.120 0.000 0.000 0.301 1017 V C 0.106 176.210 176.094 0.017 0.000 1.034 1017 V CA -0.349 61.963 62.300 0.020 0.000 0.865 1017 V CB 1.507 33.339 31.823 0.015 0.000 0.995 1017 V HN 1.431 nan 8.190 nan 0.000 0.424 1018 A N 5.294 128.125 122.820 0.019 0.000 2.316 1018 A HA 0.541 4.861 4.320 0.000 0.000 0.324 1018 A C 0.107 177.699 177.584 0.012 0.000 1.375 1018 A CA -0.667 51.381 52.037 0.017 0.000 0.882 1018 A CB 0.074 19.089 19.000 0.025 0.000 1.152 1018 A HN 0.794 nan 8.150 nan 0.000 0.512 1019 K N 1.526 121.931 120.400 0.008 0.000 2.451 1019 K HA 0.283 4.603 4.320 0.000 0.000 0.280 1019 K C 0.996 177.597 176.600 0.002 0.000 1.020 1019 K CA 0.751 57.041 56.287 0.004 0.000 1.008 1019 K CB 0.354 32.855 32.500 0.002 0.000 0.917 1019 K HN 1.294 nan 8.250 nan 0.000 0.478 1020 G N 2.001 110.801 108.800 -0.000 0.000 2.395 1020 G HA2 -0.237 3.723 3.960 0.000 0.000 0.292 1020 G HA3 -0.237 3.723 3.960 0.000 0.000 0.292 1020 G C 0.475 175.370 174.900 -0.007 0.000 0.953 1020 G CA 0.624 45.721 45.100 -0.005 0.000 1.207 1020 G HN 0.614 nan 8.290 nan 0.000 0.503 1021 V N -2.555 117.358 119.914 -0.002 0.000 3.359 1021 V HA 0.460 4.580 4.120 0.000 0.000 0.245 1021 V C 1.118 177.209 176.094 -0.004 0.000 1.247 1021 V CA 1.060 63.358 62.300 -0.002 0.000 1.145 1021 V CB 0.419 32.251 31.823 0.015 0.000 0.906 1021 V HN 0.546 nan 8.190 nan 0.000 0.464 1022 V N 4.092 124.008 119.914 0.003 0.000 2.607 1022 V HA 0.453 4.573 4.120 0.000 0.000 0.289 1022 V C 0.339 176.429 176.094 -0.007 0.000 1.053 1022 V CA -1.001 61.300 62.300 0.002 0.000 0.996 1022 V CB 1.035 32.865 31.823 0.011 0.000 0.995 1022 V HN 0.717 nan 8.190 nan 0.000 0.476 1023 K N 2.013 122.406 120.400 -0.012 0.000 2.336 1023 K HA 0.136 4.456 4.320 0.000 0.000 0.262 1023 K C 0.044 176.639 176.600 -0.007 0.000 0.992 1023 K CA -0.149 56.130 56.287 -0.014 0.000 0.927 1023 K CB -0.543 31.946 32.500 -0.019 0.000 0.956 1023 K HN 0.760 nan 8.250 nan 0.000 0.495 1024 D N -1.153 119.242 120.400 -0.008 0.000 3.077 1024 D HA -0.191 4.449 4.640 0.000 0.000 0.217 1024 D C -1.104 175.195 176.300 -0.001 0.000 1.162 1024 D CA 1.718 55.715 54.000 -0.005 0.000 0.943 1024 D CB -1.247 39.551 40.800 -0.004 0.000 1.122 1024 D HN 0.783 nan 8.370 nan 0.000 0.413 1025 E N -1.220 118.979 120.200 -0.001 0.000 2.409 1025 E HA 0.220 4.570 4.350 0.000 0.000 0.259 1025 E C -2.190 174.410 176.600 0.001 0.000 0.932 1025 E CA -1.754 54.647 56.400 0.002 0.000 0.809 1025 E CB 1.891 31.594 29.700 0.005 0.000 1.341 1025 E HN -0.096 nan 8.360 nan 0.000 0.405 1026 P HA -0.186 nan 4.420 nan 0.000 0.217 1026 P C -0.183 177.118 177.300 0.002 0.000 1.151 1026 P CA 1.472 64.572 63.100 0.000 0.000 0.849 1026 P CB 0.434 32.134 31.700 0.001 0.000 0.787 1027 E N -2.100 118.102 120.200 0.004 0.000 2.336 1027 E HA 0.506 4.856 4.350 0.000 0.000 0.267 1027 E C -0.873 175.732 176.600 0.009 0.000 0.906 1027 E CA -0.605 55.799 56.400 0.007 0.000 0.781 1027 E CB 2.124 31.828 29.700 0.007 0.000 1.261 1027 E HN -0.254 nan 8.360 nan 0.000 0.436 1028 T N 1.469 116.030 114.554 0.012 0.000 3.172 1028 T HA 0.286 4.636 4.350 0.000 0.000 0.320 1028 T C -0.728 173.982 174.700 0.017 0.000 1.085 1028 T CA -0.847 61.262 62.100 0.014 0.000 1.052 1028 T CB 1.081 69.959 68.868 0.017 0.000 1.107 1028 T HN 0.285 nan 8.240 nan 0.000 0.458 1029 R N 1.838 122.347 120.500 0.015 0.000 2.401 1029 R HA 0.543 4.883 4.340 0.000 0.000 0.299 1029 R C 0.087 176.399 176.300 0.020 0.000 1.064 1029 R CA -0.420 55.689 56.100 0.016 0.000 1.000 1029 R CB 0.374 30.679 30.300 0.009 0.000 0.973 1029 R HN 0.524 nan 8.270 nan 0.000 0.438 1030 V N -1.264 118.666 119.914 0.027 0.000 3.159 1030 V HA 0.836 4.956 4.120 0.000 0.000 0.308 1030 V C -0.607 175.514 176.094 0.044 0.000 1.190 1030 V CA -1.379 60.942 62.300 0.035 0.000 1.037 1030 V CB 2.036 33.884 31.823 0.041 0.000 1.060 1030 V HN 0.794 nan 8.190 nan 0.000 0.437 1031 A N 2.941 125.790 122.820 0.050 0.000 2.305 1031 A HA 0.915 5.235 4.320 0.000 0.000 0.322 1031 A C -0.472 177.163 177.584 0.085 0.000 1.187 1031 A CA -0.685 51.391 52.037 0.064 0.000 0.825 1031 A CB 0.490 19.521 19.000 0.051 0.000 1.164 1031 A HN 0.928 nan 8.150 nan 0.000 0.498 1032 I N 1.769 122.408 120.570 0.115 0.000 2.439 1032 I HA 0.334 4.504 4.170 0.000 0.000 0.285 1032 I C -0.259 175.955 176.117 0.163 0.000 1.021 1032 I CA -0.789 60.584 61.300 0.122 0.000 1.091 1032 I CB 1.849 39.905 38.000 0.094 0.000 1.242 1032 I HN 0.653 nan 8.210 nan 0.000 0.439 1033 K N 4.426 124.915 120.400 0.149 0.000 2.172 1033 K HA 0.430 4.750 4.320 0.000 0.000 0.276 1033 K C -0.142 176.526 176.600 0.113 0.000 1.013 1033 K CA -0.199 56.176 56.287 0.146 0.000 0.913 1033 K CB 1.096 33.700 32.500 0.173 0.000 1.055 1033 K HN 0.732 nan 8.250 nan 0.000 0.461 1034 T N 0.614 115.224 114.554 0.094 0.000 2.772 1034 T HA 0.425 4.775 4.350 0.000 0.000 0.288 1034 T C -0.560 174.128 174.700 -0.020 0.000 0.994 1034 T CA -0.943 61.179 62.100 0.037 0.000 0.951 1034 T CB 0.871 69.757 68.868 0.030 0.000 0.933 1034 T HN 0.163 nan 8.240 nan 0.000 0.447 1035 V N 5.552 125.428 119.914 -0.063 0.000 2.348 1035 V HA 0.339 4.459 4.120 0.000 0.000 0.270 1035 V C 0.724 176.786 176.094 -0.054 0.000 1.037 1035 V CA -1.005 61.223 62.300 -0.120 0.000 0.872 1035 V CB -0.226 31.471 31.823 -0.209 0.000 1.002 1035 V HN 1.057 nan 8.190 nan 0.000 0.464 1036 N N 2.729 121.406 118.700 -0.038 0.000 2.447 1036 N HA 0.292 5.032 4.740 0.000 0.000 0.271 1036 N C 0.793 176.293 175.510 -0.018 0.000 1.226 1036 N CA -0.829 52.209 53.050 -0.020 0.000 0.980 1036 N CB 1.339 39.821 38.487 -0.008 0.000 1.206 1036 N HN 0.509 nan 8.380 nan 0.000 0.558 1037 E N -0.174 120.020 120.200 -0.010 0.000 2.086 1037 E HA -0.267 4.083 4.350 0.000 0.000 0.200 1037 E C 1.227 177.825 176.600 -0.004 0.000 1.012 1037 E CA 1.679 58.076 56.400 -0.005 0.000 0.812 1037 E CB -0.348 29.352 29.700 -0.000 0.000 0.743 1037 E HN 0.737 nan 8.360 nan 0.000 0.453 1038 A N 0.498 123.316 122.820 -0.003 0.000 2.223 1038 A HA 0.247 4.567 4.320 0.000 0.000 0.222 1038 A C 0.371 177.955 177.584 -0.000 0.000 1.317 1038 A CA 0.581 52.617 52.037 -0.000 0.000 0.985 1038 A CB -0.404 18.596 19.000 0.000 0.000 0.858 1038 A HN 0.177 nan 8.150 nan 0.000 0.496 1039 A N 0.796 123.613 122.820 -0.004 0.000 2.271 1039 A HA 0.601 4.921 4.320 0.000 0.000 0.317 1039 A C 0.707 178.291 177.584 0.000 0.000 1.245 1039 A CA 0.032 52.069 52.037 0.000 0.000 0.857 1039 A CB 0.293 19.285 19.000 -0.013 0.000 1.175 1039 A HN 0.954 nan 8.150 nan 0.000 0.512 1040 S N 2.707 118.413 115.700 0.009 0.000 2.563 1040 S HA 0.034 4.504 4.470 0.000 0.000 0.269 1040 S C 1.231 175.826 174.600 -0.009 0.000 1.364 1040 S CA 0.497 58.700 58.200 0.006 0.000 1.010 1040 S CB 0.063 63.272 63.200 0.014 0.000 0.877 1040 S HN 0.890 nan 8.310 nan 0.000 0.549 1041 M N 0.703 120.297 119.600 -0.010 0.000 2.159 1041 M HA -0.110 4.370 4.480 0.000 0.000 0.263 1041 M C 2.438 178.701 176.300 -0.060 0.000 1.063 1041 M CA 1.659 56.941 55.300 -0.031 0.000 1.110 1041 M CB -0.230 32.367 32.600 -0.005 0.000 1.374 1041 M HN 0.892 nan 8.290 nan 0.000 0.411 1042 R N 0.292 120.773 120.500 -0.030 0.000 2.083 1042 R HA -0.164 4.176 4.340 0.000 0.000 0.237 1042 R C 1.714 177.991 176.300 -0.037 0.000 1.137 1042 R CA 2.064 58.145 56.100 -0.032 0.000 0.951 1042 R CB -0.270 30.031 30.300 0.002 0.000 0.851 1042 R HN 0.452 nan 8.270 nan 0.000 0.434 1043 E N -0.001 120.202 120.200 0.005 0.000 2.347 1043 E HA -0.182 4.168 4.350 0.000 0.000 0.196 1043 E C 1.873 178.400 176.600 -0.120 0.000 1.008 1043 E CA 0.644 57.081 56.400 0.061 0.000 0.852 1043 E CB -0.118 29.686 29.700 0.174 0.000 0.783 1043 E HN 0.398 nan 8.360 nan 0.000 0.505 1044 R N 0.533 120.957 120.500 -0.127 0.000 2.127 1044 R HA 0.094 4.434 4.340 0.000 0.000 0.217 1044 R C 2.308 178.475 176.300 -0.222 0.000 1.074 1044 R CA 0.316 56.324 56.100 -0.153 0.000 0.991 1044 R CB 0.141 30.379 30.300 -0.102 0.000 0.895 1044 R HN 0.089 nan 8.270 nan 0.000 0.450 1045 I N 0.394 120.779 120.570 -0.308 0.000 2.333 1045 I HA -0.168 4.002 4.170 0.000 0.000 0.246 1045 I C 2.367 178.269 176.117 -0.358 0.000 1.106 1045 I CA 0.795 61.788 61.300 -0.513 0.000 1.411 1045 I CB -0.360 37.256 38.000 -0.639 0.000 1.082 1045 I HN 0.238 nan 8.210 nan 0.000 0.420 1046 E N 1.134 121.189 120.200 -0.241 0.000 2.049 1046 E HA -0.289 4.061 4.350 0.000 0.000 0.198 1046 E C 2.152 178.596 176.600 -0.260 0.000 1.007 1046 E CA 1.844 58.146 56.400 -0.162 0.000 0.809 1046 E CB -0.285 29.398 29.700 -0.029 0.000 0.749 1046 E HN 0.388 nan 8.360 nan 0.000 0.450 1047 F N 0.907 120.413 119.950 -0.741 0.000 2.161 1047 F HA -0.213 4.314 4.527 0.000 0.000 0.300 1047 F C 2.044 177.575 175.800 -0.448 0.000 1.089 1047 F CA 0.961 58.407 58.000 -0.923 0.000 1.282 1047 F CB -0.164 38.013 39.000 -1.371 0.000 1.010 1047 F HN 0.022 nan 8.300 nan 0.000 0.485 1048 L N 0.125 121.048 121.223 -0.500 0.000 2.395 1048 L HA -0.027 4.313 4.340 0.000 0.000 0.218 1048 L C 1.811 178.463 176.870 -0.364 0.000 1.130 1048 L CA 1.338 55.887 54.840 -0.484 0.000 0.826 1048 L CB -1.193 40.685 42.059 -0.302 0.000 0.941 1048 L HN 0.198 nan 8.230 nan 0.000 0.451 1049 N N -1.287 117.238 118.700 -0.291 0.000 2.409 1049 N HA -0.116 4.624 4.740 0.000 0.000 0.174 1049 N C 1.606 176.987 175.510 -0.215 0.000 1.037 1049 N CA 0.276 53.210 53.050 -0.193 0.000 0.898 1049 N CB 0.331 38.755 38.487 -0.105 0.000 1.010 1049 N HN 0.337 nan 8.380 nan 0.000 0.445 1050 E N 1.257 121.318 120.200 -0.232 0.000 2.051 1050 E HA -0.163 4.187 4.350 0.000 0.000 0.192 1050 E C 1.859 178.298 176.600 -0.269 0.000 0.991 1050 E CA 1.136 57.428 56.400 -0.180 0.000 0.799 1050 E CB 0.005 29.651 29.700 -0.090 0.000 0.748 1050 E HN 0.340 nan 8.360 nan 0.000 0.449 1051 A N 0.124 122.691 122.820 -0.420 0.000 2.019 1051 A HA -0.109 4.211 4.320 0.000 0.000 0.219 1051 A C 2.275 179.568 177.584 -0.484 0.000 1.164 1051 A CA 1.438 53.197 52.037 -0.464 0.000 0.644 1051 A CB -0.394 18.246 19.000 -0.601 0.000 0.805 1051 A HN 0.230 nan 8.150 nan 0.000 0.449 1052 S N -0.879 114.570 115.700 -0.419 0.000 2.447 1052 S HA -0.060 4.410 4.470 0.000 0.000 0.233 1052 S C 1.669 176.002 174.600 -0.446 0.000 1.006 1052 S CA 1.213 59.168 58.200 -0.409 0.000 0.957 1052 S CB -0.168 62.878 63.200 -0.257 0.000 0.773 1052 S HN 0.366 nan 8.310 nan 0.000 0.507 1053 V N 1.672 121.310 119.914 -0.460 0.000 2.725 1053 V HA -0.028 4.092 4.120 0.000 0.000 0.247 1053 V C 2.199 177.623 176.094 -1.116 0.000 1.058 1053 V CA 0.811 62.736 62.300 -0.626 0.000 1.080 1053 V CB -0.386 31.166 31.823 -0.451 0.000 0.713 1053 V HN 0.454 nan 8.190 nan 0.000 0.465 1054 M N 0.846 119.946 119.600 -0.833 0.000 2.110 1054 M HA -0.268 4.212 4.480 0.000 0.000 0.257 1054 M C 2.642 178.463 176.300 -0.799 0.000 1.071 1054 M CA 2.859 57.692 55.300 -0.778 0.000 1.096 1054 M CB -1.493 30.861 32.600 -0.410 0.000 1.300 1054 M HN 0.457 nan 8.290 nan 0.000 0.411 1055 K N 0.671 120.596 120.400 -0.791 0.000 2.127 1055 K HA -0.248 4.072 4.320 0.000 0.000 0.208 1055 K C 1.719 178.134 176.600 -0.309 0.000 1.047 1055 K CA 2.324 58.117 56.287 -0.824 0.000 0.927 1055 K CB -1.517 30.130 32.500 -1.422 0.000 0.716 1055 K HN 0.658 nan 8.250 nan 0.000 0.450 1056 E N -0.911 119.003 120.200 -0.478 0.000 2.070 1056 E HA -0.116 4.234 4.350 0.000 0.000 0.197 1056 E C -0.166 176.419 176.600 -0.026 0.000 1.004 1056 E CA 0.957 57.188 56.400 -0.281 0.000 0.805 1056 E CB -0.232 29.201 29.700 -0.446 0.000 0.744 1056 E HN 0.573 nan 8.360 nan 0.000 0.451 1057 F N 1.291 121.210 119.950 -0.052 0.000 2.466 1057 F HA 0.217 4.744 4.527 0.000 0.000 0.363 1057 F C 0.221 176.038 175.800 0.028 0.000 1.109 1057 F CA -0.598 57.456 58.000 0.089 0.000 1.161 1057 F CB -0.135 38.817 39.000 -0.080 0.000 1.117 1057 F HN -0.004 nan 8.300 nan 0.000 0.539 1058 N N 3.212 122.037 118.700 0.210 0.000 2.851 1058 N HA 0.368 5.108 4.740 0.000 0.000 0.248 1058 N C -1.577 173.776 175.510 -0.262 0.000 1.221 1058 N CA -0.208 52.858 53.050 0.028 0.000 0.847 1058 N CB 0.433 38.984 38.487 0.107 0.000 1.150 1058 N HN 0.664 nan 8.380 nan 0.000 0.507 1059 C N 2.101 121.136 119.300 -0.442 0.000 2.493 1059 C HA 0.349 4.809 4.460 0.000 0.000 0.326 1059 C C 1.717 176.578 174.990 -0.215 0.000 1.200 1059 C CA -0.431 58.258 59.018 -0.549 0.000 1.739 1059 C CB 0.867 28.039 27.740 -0.946 0.000 2.300 1059 C HN 0.908 nan 8.230 nan 0.000 0.500 1060 H N 1.074 119.980 119.070 -0.273 0.000 2.456 1060 H HA -0.046 4.510 4.556 0.000 0.000 0.296 1060 H C 1.052 176.169 175.328 -0.352 0.000 1.079 1060 H CA 2.280 58.132 56.048 -0.327 0.000 1.322 1060 H CB -0.031 29.460 29.762 -0.452 0.000 1.388 1060 H HN 0.867 nan 8.280 nan 0.000 0.538 1061 H N -1.403 117.630 119.070 -0.061 0.000 2.505 1061 H HA 0.345 4.901 4.556 0.000 0.000 0.286 1061 H C -0.605 174.701 175.328 -0.037 0.000 1.072 1061 H CA -0.160 55.856 56.048 -0.054 0.000 1.141 1061 H CB 0.770 30.569 29.762 0.062 0.000 1.550 1061 H HN 0.014 nan 8.280 nan 0.000 0.547 1062 V N 1.465 121.386 119.914 0.012 0.000 2.604 1062 V HA 0.153 4.273 4.120 0.000 0.000 0.305 1062 V C 0.048 176.188 176.094 0.077 0.000 1.043 1062 V CA -1.173 61.186 62.300 0.099 0.000 0.888 1062 V CB 2.423 34.313 31.823 0.112 0.000 0.995 1062 V HN -0.019 nan 8.190 nan 0.000 0.429 1063 V N 5.056 125.047 119.914 0.129 0.000 2.450 1063 V HA 0.193 4.313 4.120 0.000 0.000 0.281 1063 V C 0.784 176.947 176.094 0.116 0.000 1.019 1063 V CA -0.037 62.313 62.300 0.083 0.000 1.062 1063 V CB -0.008 31.855 31.823 0.067 0.000 0.979 1063 V HN 0.754 nan 8.190 nan 0.000 0.477 1064 R N 3.394 123.932 120.500 0.064 0.000 2.531 1064 R HA 0.465 4.805 4.340 0.000 0.000 0.273 1064 R C -0.479 175.859 176.300 0.064 0.000 1.070 1064 R CA -0.726 55.416 56.100 0.070 0.000 1.112 1064 R CB 1.063 31.398 30.300 0.059 0.000 1.049 1064 R HN 0.673 nan 8.270 nan 0.000 0.508 1065 L N 4.995 126.244 121.223 0.044 0.000 2.265 1065 L HA 0.189 4.529 4.340 0.000 0.000 0.288 1065 L C 0.673 177.632 176.870 0.149 0.000 1.058 1065 L CA -0.193 54.658 54.840 0.018 0.000 0.809 1065 L CB 0.764 42.725 42.059 -0.162 0.000 1.179 1065 L HN 0.706 nan 8.230 nan 0.000 0.429 1066 L N 5.073 126.380 121.223 0.140 0.000 2.477 1066 L HA 0.400 4.740 4.340 0.000 0.000 0.220 1066 L C 0.908 177.921 176.870 0.238 0.000 1.106 1066 L CA 0.601 55.545 54.840 0.173 0.000 0.851 1066 L CB -0.297 41.821 42.059 0.098 0.000 0.994 1066 L HN 0.894 nan 8.230 nan 0.000 0.462 1067 G N -0.343 108.607 108.800 0.251 0.000 2.369 1067 G HA2 0.198 4.158 3.960 0.000 0.000 0.295 1067 G HA3 0.198 4.158 3.960 0.000 0.000 0.295 1067 G C -1.875 173.107 174.900 0.137 0.000 1.298 1067 G CA -0.036 45.234 45.100 0.284 0.000 0.940 1067 G HN -0.144 nan 8.290 nan 0.000 0.536 1068 V N -0.759 119.229 119.914 0.124 0.000 2.777 1068 V HA 0.714 4.834 4.120 0.000 0.000 0.306 1068 V C -0.760 175.369 176.094 0.059 0.000 1.112 1068 V CA -0.686 61.652 62.300 0.063 0.000 0.917 1068 V CB 1.692 33.519 31.823 0.007 0.000 1.018 1068 V HN 1.316 nan 8.190 nan 0.000 0.426 1069 V N 6.734 126.675 119.914 0.044 0.000 2.408 1069 V HA 0.385 4.505 4.120 0.000 0.000 0.267 1069 V C 1.259 177.364 176.094 0.018 0.000 1.047 1069 V CA 0.855 63.172 62.300 0.028 0.000 0.937 1069 V CB 0.971 32.806 31.823 0.019 0.000 0.999 1069 V HN 1.164 nan 8.190 nan 0.000 0.472 1070 S N 3.090 118.794 115.700 0.007 0.000 2.524 1070 S HA 0.133 4.603 4.470 0.000 0.000 0.222 1070 S C 0.598 175.180 174.600 -0.030 0.000 1.040 1070 S CA -0.395 57.797 58.200 -0.013 0.000 0.915 1070 S CB 0.289 63.477 63.200 -0.021 0.000 0.831 1070 S HN 0.649 nan 8.310 nan 0.000 0.492 1071 Q N 2.270 122.059 119.800 -0.019 0.000 2.472 1071 Q HA 0.651 4.991 4.340 0.000 0.000 0.227 1071 Q C 0.294 176.287 176.000 -0.011 0.000 1.156 1071 Q CA 0.194 55.986 55.803 -0.019 0.000 0.924 1071 Q CB 0.329 29.062 28.738 -0.008 0.000 1.354 1071 Q HN 0.639 nan 8.270 nan 0.000 0.525 1072 G N 0.959 109.751 108.800 -0.013 0.000 2.341 1072 G HA2 -0.011 3.949 3.960 0.000 0.000 0.293 1072 G HA3 -0.011 3.949 3.960 0.000 0.000 0.293 1072 G C -0.118 174.776 174.900 -0.010 0.000 1.298 1072 G CA -0.531 44.564 45.100 -0.008 0.000 0.868 1072 G HN 0.172 nan 8.290 nan 0.000 0.540 1073 Q N -0.609 119.186 119.800 -0.009 0.000 2.033 1073 Q HA 0.141 4.481 4.340 0.000 0.000 0.196 1073 Q C -1.439 174.554 176.000 -0.011 0.000 0.970 1073 Q CA 1.395 57.193 55.803 -0.008 0.000 0.828 1073 Q CB -1.140 27.593 28.738 -0.008 0.000 0.895 1073 Q HN 0.483 nan 8.270 nan 0.000 0.440 1074 P HA 0.215 nan 4.420 nan 0.000 0.297 1074 P C -0.949 176.347 177.300 -0.007 0.000 1.319 1074 P CA -0.094 62.996 63.100 -0.016 0.000 0.810 1074 P CB 1.100 32.782 31.700 -0.029 0.000 0.947 1075 T N 4.064 118.621 114.554 0.004 0.000 2.888 1075 T HA 0.209 4.559 4.350 0.000 0.000 0.301 1075 T C 0.362 175.092 174.700 0.050 0.000 1.001 1075 T CA 0.156 62.274 62.100 0.030 0.000 1.147 1075 T CB -0.082 68.820 68.868 0.057 0.000 0.931 1075 T HN 0.194 nan 8.240 nan 0.000 0.541 1076 L N 3.629 124.883 121.223 0.052 0.000 2.307 1076 L HA 0.576 4.916 4.340 0.000 0.000 0.284 1076 L C -0.379 176.550 176.870 0.099 0.000 1.023 1076 L CA -1.100 53.780 54.840 0.067 0.000 0.810 1076 L CB 1.606 43.685 42.059 0.034 0.000 1.231 1076 L HN 0.325 nan 8.230 nan 0.000 0.423 1077 V N 4.477 124.477 119.914 0.143 0.000 2.384 1077 V HA 0.414 4.534 4.120 0.000 0.000 0.287 1077 V C 0.063 176.217 176.094 0.101 0.000 1.020 1077 V CA -0.396 61.979 62.300 0.126 0.000 0.850 1077 V CB 1.802 33.752 31.823 0.211 0.000 0.987 1077 V HN 0.500 nan 8.190 nan 0.000 0.436 1078 I N 5.995 126.609 120.570 0.074 0.000 2.312 1078 I HA 0.420 4.590 4.170 0.000 0.000 0.290 1078 I C 0.011 176.168 176.117 0.066 0.000 1.008 1078 I CA 0.023 61.366 61.300 0.071 0.000 1.226 1078 I CB 0.980 39.021 38.000 0.068 0.000 1.371 1078 I HN 0.380 nan 8.210 nan 0.000 0.468 1079 M N 4.751 124.390 119.600 0.065 0.000 2.644 1079 M HA 0.338 4.818 4.480 0.000 0.000 0.316 1079 M C 0.075 176.405 176.300 0.049 0.000 1.200 1079 M CA -0.652 54.682 55.300 0.056 0.000 0.944 1079 M CB 1.719 34.354 32.600 0.058 0.000 1.691 1079 M HN 0.556 nan 8.290 nan 0.000 0.471 1080 E N 1.956 122.181 120.200 0.042 0.000 2.392 1080 E HA 0.156 4.506 4.350 0.000 0.000 0.264 1080 E C -1.281 175.329 176.600 0.017 0.000 1.024 1080 E CA -0.218 56.198 56.400 0.027 0.000 0.903 1080 E CB 0.882 30.593 29.700 0.017 0.000 0.963 1080 E HN 0.621 nan 8.360 nan 0.000 0.432 1081 L N 4.903 126.132 121.223 0.010 0.000 2.331 1081 L HA 0.151 4.492 4.340 0.000 0.000 0.278 1081 L C -0.251 176.607 176.870 -0.020 0.000 1.106 1081 L CA -0.290 54.551 54.840 0.001 0.000 0.824 1081 L CB 0.716 42.778 42.059 0.004 0.000 1.142 1081 L HN 0.729 nan 8.230 nan 0.000 0.443 1082 M N 4.647 124.231 119.600 -0.027 0.000 2.325 1082 M HA 0.117 4.597 4.480 0.000 0.000 0.305 1082 M C 1.076 177.339 176.300 -0.063 0.000 1.047 1082 M CA -0.331 54.938 55.300 -0.052 0.000 0.981 1082 M CB 0.508 33.079 32.600 -0.048 0.000 1.307 1082 M HN 0.611 nan 8.290 nan 0.000 0.418 1083 T N -1.467 113.042 114.554 -0.075 0.000 3.139 1083 T HA -0.016 4.334 4.350 0.000 0.000 0.267 1083 T C 1.160 175.812 174.700 -0.079 0.000 1.164 1083 T CA 0.910 62.968 62.100 -0.070 0.000 1.075 1083 T CB -0.094 68.730 68.868 -0.072 0.000 0.904 1083 T HN 0.614 nan 8.240 nan 0.000 0.540 1084 R N 0.260 120.699 120.500 -0.102 0.000 2.508 1084 R HA 0.466 4.806 4.340 0.000 0.000 0.300 1084 R C 1.382 177.675 176.300 -0.011 0.000 0.970 1084 R CA 0.046 56.103 56.100 -0.072 0.000 1.102 1084 R CB 0.597 30.790 30.300 -0.179 0.000 1.246 1084 R HN 0.480 nan 8.270 nan 0.000 0.539 1085 G N 2.598 111.382 108.800 -0.027 0.000 2.693 1085 G HA2 -0.275 3.685 3.960 0.000 0.000 0.226 1085 G HA3 -0.275 3.685 3.960 0.000 0.000 0.226 1085 G C -0.800 174.102 174.900 0.002 0.000 1.354 1085 G CA -0.186 44.912 45.100 -0.002 0.000 0.873 1085 G HN 0.436 nan 8.290 nan 0.000 0.562 1086 D N 0.148 120.559 120.400 0.019 0.000 2.345 1086 D HA 0.258 4.898 4.640 0.000 0.000 0.247 1086 D C 1.721 178.061 176.300 0.068 0.000 1.108 1086 D CA -0.228 53.783 54.000 0.019 0.000 0.894 1086 D CB 1.633 42.436 40.800 0.005 0.000 1.203 1086 D HN 0.655 nan 8.370 nan 0.000 0.430 1087 L N 2.207 123.464 121.223 0.057 0.000 2.129 1087 L HA -0.222 4.118 4.340 0.000 0.000 0.212 1087 L C 2.242 179.210 176.870 0.162 0.000 1.087 1087 L CA 1.782 56.692 54.840 0.117 0.000 0.757 1087 L CB -0.638 41.465 42.059 0.072 0.000 0.896 1087 L HN 0.529 nan 8.230 nan 0.000 0.434 1088 K N -1.150 119.313 120.400 0.104 0.000 2.031 1088 K HA -0.107 4.213 4.320 0.000 0.000 0.205 1088 K C 2.067 178.724 176.600 0.095 0.000 1.049 1088 K CA 1.487 57.834 56.287 0.101 0.000 0.939 1088 K CB -0.071 32.474 32.500 0.075 0.000 0.717 1088 K HN 0.399 nan 8.250 nan 0.000 0.438 1089 S N 0.428 116.180 115.700 0.086 0.000 2.359 1089 S HA -0.187 4.283 4.470 0.000 0.000 0.224 1089 S C 1.698 176.352 174.600 0.091 0.000 1.035 1089 S CA 1.446 59.689 58.200 0.072 0.000 1.018 1089 S CB -0.567 62.670 63.200 0.063 0.000 0.876 1089 S HN 0.424 nan 8.310 nan 0.000 0.448 1090 Y N 2.375 122.689 120.300 0.024 0.000 2.128 1090 Y HA -0.172 4.378 4.550 0.000 0.000 0.284 1090 Y C 1.919 177.843 175.900 0.040 0.000 1.154 1090 Y CA 1.409 59.532 58.100 0.037 0.000 1.149 1090 Y CB -0.516 37.974 38.460 0.049 0.000 0.976 1090 Y HN 0.141 nan 8.280 nan 0.000 0.505 1091 L N -0.188 121.072 121.223 0.062 0.000 2.042 1091 L HA -0.265 4.075 4.340 0.000 0.000 0.210 1091 L C 2.643 179.453 176.870 -0.101 0.000 1.076 1091 L CA 1.398 56.216 54.840 -0.036 0.000 0.749 1091 L CB -0.571 41.524 42.059 0.061 0.000 0.893 1091 L HN 0.160 nan 8.230 nan 0.000 0.432 1092 R N 0.032 120.502 120.500 -0.050 0.000 2.152 1092 R HA -0.108 4.232 4.340 0.000 0.000 0.232 1092 R C 2.491 178.741 176.300 -0.084 0.000 1.117 1092 R CA 1.558 57.628 56.100 -0.049 0.000 0.981 1092 R CB -0.653 29.641 30.300 -0.010 0.000 0.870 1092 R HN 0.530 nan 8.270 nan 0.000 0.451 1093 S N 0.475 116.098 115.700 -0.129 0.000 2.453 1093 S HA -0.008 4.462 4.470 0.000 0.000 0.231 1093 S C 1.869 176.367 174.600 -0.170 0.000 1.005 1093 S CA 0.552 58.669 58.200 -0.138 0.000 0.949 1093 S CB -0.255 62.857 63.200 -0.148 0.000 0.774 1093 S HN 0.249 nan 8.310 nan 0.000 0.510 1094 L N 0.765 121.853 121.223 -0.225 0.000 2.591 1094 L HA 0.244 4.584 4.340 0.000 0.000 0.228 1094 L C 0.911 177.710 176.870 -0.119 0.000 1.133 1094 L CA -0.149 54.576 54.840 -0.192 0.000 0.880 1094 L CB -0.299 41.620 42.059 -0.234 0.000 1.033 1094 L HN 0.171 nan 8.230 nan 0.000 0.450 1095 R N 0.608 121.049 120.500 -0.098 0.000 2.560 1095 R HA 0.427 4.767 4.340 0.000 0.000 0.270 1095 R C -1.953 174.312 176.300 -0.058 0.000 1.074 1095 R CA -1.526 54.531 56.100 -0.072 0.000 1.140 1095 R CB -0.308 29.955 30.300 -0.061 0.000 1.073 1095 R HN -0.095 nan 8.270 nan 0.000 0.527 1107 P HA 0.288 nan 4.420 nan 0.000 0.267 1107 P C -0.093 177.181 177.300 -0.043 0.000 1.205 1107 P CA -0.145 62.929 63.100 -0.044 0.000 0.765 1107 P CB 0.702 32.381 31.700 -0.035 0.000 0.828 1108 S N 2.322 117.999 115.700 -0.039 0.000 2.655 1108 S HA 0.154 4.624 4.470 0.000 0.000 0.265 1108 S C 1.295 175.875 174.600 -0.033 0.000 1.240 1108 S CA -0.966 57.212 58.200 -0.037 0.000 0.986 1108 S CB 0.661 63.840 63.200 -0.036 0.000 0.985 1108 S HN 0.501 nan 8.310 nan 0.000 0.562 1109 L N 0.530 121.734 121.223 -0.031 0.000 2.056 1109 L HA -0.087 4.253 4.340 0.000 0.000 0.207 1109 L C 2.685 179.538 176.870 -0.029 0.000 1.078 1109 L CA 1.732 56.555 54.840 -0.029 0.000 0.749 1109 L CB -0.822 41.221 42.059 -0.025 0.000 0.901 1109 L HN 0.941 nan 8.230 nan 0.000 0.433 1110 S N -0.175 115.507 115.700 -0.030 0.000 2.359 1110 S HA -0.240 4.230 4.470 0.000 0.000 0.224 1110 S C 1.918 176.500 174.600 -0.030 0.000 1.035 1110 S CA 1.621 59.802 58.200 -0.031 0.000 1.018 1110 S CB -0.038 63.145 63.200 -0.029 0.000 0.876 1110 S HN 0.251 nan 8.310 nan 0.000 0.448 1111 K N 0.940 121.323 120.400 -0.028 0.000 2.103 1111 K HA 0.045 4.365 4.320 0.000 0.000 0.207 1111 K C 2.001 178.598 176.600 -0.005 0.000 1.048 1111 K CA 1.595 57.870 56.287 -0.020 0.000 0.930 1111 K CB -0.338 32.148 32.500 -0.023 0.000 0.716 1111 K HN 0.430 nan 8.250 nan 0.000 0.444 1112 M N -0.495 119.097 119.600 -0.012 0.000 2.193 1112 M HA -0.070 4.410 4.480 0.000 0.000 0.265 1112 M C 1.605 177.894 176.300 -0.018 0.000 1.071 1112 M CA 0.889 56.182 55.300 -0.011 0.000 1.140 1112 M CB -0.131 32.455 32.600 -0.023 0.000 1.369 1112 M HN 0.001 nan 8.290 nan 0.000 0.423 1113 I N 0.230 120.782 120.570 -0.030 0.000 2.264 1113 I HA -0.265 3.905 4.170 0.000 0.000 0.248 1113 I C 2.407 178.490 176.117 -0.056 0.000 1.111 1113 I CA 1.538 62.812 61.300 -0.043 0.000 1.382 1113 I CB -1.378 36.587 38.000 -0.059 0.000 1.060 1113 I HN 0.352 nan 8.210 nan 0.000 0.418 1114 Q N 1.005 120.779 119.800 -0.044 0.000 2.050 1114 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 1114 Q C 2.280 178.273 176.000 -0.012 0.000 0.980 1114 Q CA 1.806 57.585 55.803 -0.039 0.000 0.840 1114 Q CB -0.244 28.493 28.738 -0.002 0.000 0.898 1114 Q HN 0.454 nan 8.270 nan 0.000 0.424 1115 M N -0.981 118.626 119.600 0.011 0.000 2.099 1115 M HA -0.110 4.370 4.480 0.000 0.000 0.262 1115 M C 2.144 178.464 176.300 0.034 0.000 1.067 1115 M CA 1.528 56.844 55.300 0.027 0.000 1.124 1115 M CB -0.390 32.230 32.600 0.034 0.000 1.353 1115 M HN 0.285 nan 8.290 nan 0.000 0.410 1116 A N 0.423 123.261 122.820 0.030 0.000 1.933 1116 A HA -0.058 4.262 4.320 0.000 0.000 0.218 1116 A C 2.331 180.033 177.584 0.197 0.000 1.175 1116 A CA 1.952 54.054 52.037 0.108 0.000 0.628 1116 A CB -1.408 17.637 19.000 0.075 0.000 0.814 1116 A HN 0.566 nan 8.150 nan 0.000 0.444 1117 G N -0.866 107.948 108.800 0.023 0.000 2.430 1117 G HA2 -0.075 3.885 3.960 0.000 0.000 0.216 1117 G HA3 -0.075 3.885 3.960 0.000 0.000 0.216 1117 G C 1.406 176.265 174.900 -0.068 0.000 1.146 1117 G CA 0.775 45.828 45.100 -0.078 0.000 0.793 1117 G HN 0.625 nan 8.290 nan 0.000 0.537 1118 E N -0.027 120.121 120.200 -0.086 0.000 2.106 1118 E HA 0.001 4.351 4.350 0.000 0.000 0.192 1118 E C 2.393 178.924 176.600 -0.115 0.000 0.984 1118 E CA 0.396 56.656 56.400 -0.233 0.000 0.806 1118 E CB -0.060 29.605 29.700 -0.058 0.000 0.750 1118 E HN 0.457 nan 8.360 nan 0.000 0.458 1119 I N 0.976 121.569 120.570 0.038 0.000 2.286 1119 I HA -0.212 3.958 4.170 0.000 0.000 0.245 1119 I C 2.513 178.649 176.117 0.031 0.000 1.104 1119 I CA 0.764 62.121 61.300 0.095 0.000 1.397 1119 I CB -0.224 37.892 38.000 0.194 0.000 1.072 1119 I HN 0.069 nan 8.210 nan 0.000 0.417 1120 A N 0.447 123.311 122.820 0.073 0.000 1.902 1120 A HA -0.296 4.024 4.320 0.000 0.000 0.217 1120 A C 1.971 179.468 177.584 -0.145 0.000 1.181 1120 A CA 2.339 54.249 52.037 -0.211 0.000 0.623 1120 A CB -0.749 18.186 19.000 -0.107 0.000 0.818 1120 A HN 0.415 nan 8.150 nan 0.000 0.443 1121 D N -0.730 119.683 120.400 0.020 0.000 2.087 1121 D HA -0.073 4.567 4.640 0.000 0.000 0.192 1121 D C 2.074 178.456 176.300 0.136 0.000 0.993 1121 D CA 1.939 56.046 54.000 0.179 0.000 0.828 1121 D CB -0.546 40.382 40.800 0.213 0.000 0.968 1121 D HN 0.297 nan 8.370 nan 0.000 0.448 1122 G N 0.121 108.968 108.800 0.078 0.000 2.469 1122 G HA2 -0.283 3.677 3.960 0.000 0.000 0.219 1122 G HA3 -0.283 3.677 3.960 0.000 0.000 0.219 1122 G C 1.541 176.409 174.900 -0.052 0.000 1.150 1122 G CA 1.118 46.259 45.100 0.068 0.000 0.763 1122 G HN 0.206 nan 8.290 nan 0.000 0.561 1123 M N 0.938 120.379 119.600 -0.265 0.000 2.175 1123 M HA 0.100 4.580 4.480 0.000 0.000 0.264 1123 M C 3.066 179.161 176.300 -0.342 0.000 1.063 1123 M CA 1.178 56.175 55.300 -0.506 0.000 1.119 1123 M CB -1.239 30.531 32.600 -1.383 0.000 1.377 1123 M HN 0.323 nan 8.290 nan 0.000 0.415 1124 A N -0.688 122.015 122.820 -0.194 0.000 1.940 1124 A HA -0.242 4.078 4.320 0.000 0.000 0.219 1124 A C 2.144 179.643 177.584 -0.142 0.000 1.176 1124 A CA 1.613 53.721 52.037 0.120 0.000 0.631 1124 A CB -1.178 18.056 19.000 0.390 0.000 0.814 1124 A HN 0.538 nan 8.150 nan 0.000 0.446 1125 Y N -0.069 119.912 120.300 -0.533 0.000 2.200 1125 Y HA -0.123 4.427 4.550 0.000 0.000 0.290 1125 Y C 2.070 177.651 175.900 -0.531 0.000 1.137 1125 Y CA 1.412 58.917 58.100 -0.992 0.000 1.163 1125 Y CB -0.127 37.891 38.460 -0.737 0.000 0.988 1125 Y HN 0.189 nan 8.280 nan 0.000 0.518 1126 L N 0.669 121.713 121.223 -0.298 0.000 1.970 1126 L HA -0.313 4.027 4.340 0.000 0.000 0.212 1126 L C 1.824 178.601 176.870 -0.156 0.000 1.071 1126 L CA 2.499 57.152 54.840 -0.312 0.000 0.751 1126 L CB -1.121 40.856 42.059 -0.137 0.000 0.889 1126 L HN 0.455 nan 8.230 nan 0.000 0.432 1127 N N -0.581 118.088 118.700 -0.052 0.000 2.166 1127 N HA -0.149 4.591 4.740 0.000 0.000 0.186 1127 N C 1.786 177.277 175.510 -0.032 0.000 1.019 1127 N CA 1.018 54.085 53.050 0.029 0.000 0.856 1127 N CB -0.047 38.526 38.487 0.143 0.000 0.993 1127 N HN 0.358 nan 8.380 nan 0.000 0.426 1128 A N 1.390 124.153 122.820 -0.096 0.000 2.024 1128 A HA -0.098 4.222 4.320 0.000 0.000 0.220 1128 A C 1.552 179.068 177.584 -0.113 0.000 1.164 1128 A CA 1.152 53.147 52.037 -0.069 0.000 0.643 1128 A CB -0.208 18.777 19.000 -0.025 0.000 0.806 1128 A HN 0.323 nan 8.150 nan 0.000 0.451 1129 N N -0.244 118.348 118.700 -0.179 0.000 2.276 1129 N HA 0.027 4.767 4.740 0.000 0.000 0.212 1129 N C -0.604 174.873 175.510 -0.055 0.000 1.127 1129 N CA 0.016 53.028 53.050 -0.064 0.000 0.834 1129 N CB 0.363 38.838 38.487 -0.019 0.000 1.014 1129 N HN 0.077 nan 8.380 nan 0.000 0.491 1130 K N 0.316 120.650 120.400 -0.109 0.000 3.181 1130 K HA -0.140 4.180 4.320 0.000 0.000 0.269 1130 K C -1.249 175.102 176.600 -0.415 0.000 1.097 1130 K CA 0.676 56.828 56.287 -0.224 0.000 0.783 1130 K CB -2.043 30.298 32.500 -0.265 0.000 1.267 1130 K HN 0.189 nan 8.250 nan 0.000 0.484 1131 F N -0.987 118.928 119.950 -0.059 0.000 2.551 1131 F HA 0.452 4.979 4.527 0.000 0.000 0.316 1131 F C 0.598 176.404 175.800 0.010 0.000 1.089 1131 F CA -1.051 56.931 58.000 -0.030 0.000 0.915 1131 F CB 1.763 40.721 39.000 -0.069 0.000 1.186 1131 F HN -0.221 nan 8.300 nan 0.000 0.456 1132 V N 3.533 123.587 119.914 0.233 0.000 2.347 1132 V HA 0.134 4.254 4.120 0.000 0.000 0.280 1132 V C 1.001 177.239 176.094 0.239 0.000 1.021 1132 V CA -0.515 61.915 62.300 0.217 0.000 0.847 1132 V CB 0.960 32.886 31.823 0.170 0.000 0.990 1132 V HN 0.861 nan 8.190 nan 0.000 0.444 1133 H N 4.996 124.178 119.070 0.187 0.000 2.321 1133 H HA -0.090 4.466 4.556 0.000 0.000 0.300 1133 H C 1.816 177.205 175.328 0.100 0.000 1.087 1133 H CA 2.334 58.484 56.048 0.171 0.000 1.319 1133 H CB 0.365 30.225 29.762 0.164 0.000 1.379 1133 H HN 0.747 nan 8.280 nan 0.000 0.501 1134 R N -1.312 119.373 120.500 0.309 0.000 3.872 1134 R HA -0.199 4.141 4.340 0.000 0.000 0.377 1134 R C 0.155 176.592 176.300 0.228 0.000 0.628 1134 R CA 1.688 57.881 56.100 0.155 0.000 1.612 1134 R CB -1.373 28.767 30.300 -0.267 0.000 2.008 1134 R HN 0.311 nan 8.270 nan 0.000 0.414 1135 D N 0.579 121.193 120.400 0.356 0.000 2.788 1135 D HA 0.165 4.805 4.640 0.000 0.000 0.289 1135 D C -0.937 175.452 176.300 0.148 0.000 1.340 1135 D CA -0.379 53.764 54.000 0.238 0.000 0.831 1135 D CB 0.250 41.134 40.800 0.141 0.000 1.103 1135 D HN 0.027 nan 8.370 nan 0.000 0.476 1136 L N 1.431 122.676 121.223 0.037 0.000 2.360 1136 L HA 0.592 4.932 4.340 0.000 0.000 0.276 1136 L C -0.492 176.343 176.870 -0.057 0.000 1.121 1136 L CA 0.168 54.873 54.840 -0.225 0.000 0.845 1136 L CB 0.590 42.582 42.059 -0.111 0.000 1.143 1136 L HN 0.140 nan 8.230 nan 0.000 0.452 1137 A N 3.869 126.594 122.820 -0.159 0.000 2.610 1137 A HA 0.712 5.032 4.320 0.000 0.000 0.291 1137 A C 0.535 178.078 177.584 -0.068 0.000 1.086 1137 A CA -0.152 51.770 52.037 -0.192 0.000 0.677 1137 A CB 0.530 19.040 19.000 -0.817 0.000 1.278 1137 A HN 1.026 nan 8.150 nan 0.000 0.414 1138 A N 0.536 123.397 122.820 0.068 0.000 1.940 1138 A HA -0.170 4.150 4.320 0.000 0.000 0.219 1138 A C 1.957 179.543 177.584 0.004 0.000 1.176 1138 A CA 2.140 54.220 52.037 0.071 0.000 0.631 1138 A CB -0.584 18.507 19.000 0.152 0.000 0.814 1138 A HN 1.106 nan 8.150 nan 0.000 0.446 1139 R N -0.878 119.587 120.500 -0.058 0.000 2.237 1139 R HA -0.047 4.293 4.340 0.000 0.000 0.219 1139 R C 0.467 176.718 176.300 -0.083 0.000 1.080 1139 R CA 1.607 57.664 56.100 -0.071 0.000 0.995 1139 R CB -0.325 29.898 30.300 -0.128 0.000 0.875 1139 R HN 0.373 nan 8.270 nan 0.000 0.462 1140 N N -0.224 118.414 118.700 -0.103 0.000 2.236 1140 N HA 0.097 4.837 4.740 0.000 0.000 0.196 1140 N C -0.644 174.810 175.510 -0.093 0.000 1.114 1140 N CA 0.003 52.992 53.050 -0.102 0.000 0.859 1140 N CB 0.550 38.974 38.487 -0.105 0.000 0.982 1140 N HN 0.145 nan 8.380 nan 0.000 0.493 1141 C N 1.538 120.799 119.300 -0.064 0.000 2.358 1141 C HA 0.565 5.025 4.460 0.000 0.000 0.342 1141 C C 0.367 175.337 174.990 -0.033 0.000 1.234 1141 C CA -0.890 58.100 59.018 -0.046 0.000 1.969 1141 C CB 0.716 28.442 27.740 -0.023 0.000 2.346 1141 C HN 0.183 nan 8.230 nan 0.000 0.525 1142 M N 2.076 121.654 119.600 -0.037 0.000 2.578 1142 M HA 0.554 5.034 4.480 0.000 0.000 0.321 1142 M C -0.790 175.469 176.300 -0.069 0.000 1.182 1142 M CA -0.496 54.777 55.300 -0.045 0.000 0.965 1142 M CB 1.618 34.193 32.600 -0.041 0.000 1.694 1142 M HN 0.347 nan 8.290 nan 0.000 0.461 1143 V N 1.430 121.279 119.914 -0.109 0.000 2.409 1143 V HA 0.669 4.789 4.120 0.000 0.000 0.291 1143 V C 0.313 176.294 176.094 -0.187 0.000 1.020 1143 V CA -0.935 61.252 62.300 -0.189 0.000 0.848 1143 V CB 1.130 32.731 31.823 -0.370 0.000 0.990 1143 V HN 1.018 nan 8.190 nan 0.000 0.430 1144 A N 2.820 125.542 122.820 -0.164 0.000 2.259 1144 A HA 0.543 4.863 4.320 0.000 0.000 0.278 1144 A C 1.284 178.721 177.584 -0.244 0.000 1.107 1144 A CA -0.038 51.907 52.037 -0.154 0.000 0.828 1144 A CB 0.314 19.256 19.000 -0.097 0.000 1.111 1144 A HN 0.911 nan 8.150 nan 0.000 0.498 1145 E N 0.200 120.284 120.200 -0.194 0.000 2.114 1145 E HA -0.242 4.108 4.350 0.000 0.000 0.199 1145 E C 0.759 177.163 176.600 -0.327 0.000 1.008 1145 E CA 2.226 58.482 56.400 -0.240 0.000 0.810 1145 E CB -0.125 29.506 29.700 -0.115 0.000 0.739 1145 E HN 0.728 nan 8.360 nan 0.000 0.456 1146 D N -1.592 118.725 120.400 -0.138 0.000 2.370 1146 D HA -0.024 4.616 4.640 0.000 0.000 0.230 1146 D C -0.129 176.300 176.300 0.215 0.000 1.143 1146 D CA -0.286 53.749 54.000 0.058 0.000 0.834 1146 D CB -0.712 40.158 40.800 0.117 0.000 0.944 1146 D HN 0.314 nan 8.370 nan 0.000 0.504 1147 F N -1.499 118.425 119.950 -0.044 0.000 2.748 1147 F HA -0.251 4.276 4.527 0.000 0.000 0.370 1147 F C 0.474 176.224 175.800 -0.083 0.000 0.620 1147 F CA 0.782 58.718 58.000 -0.108 0.000 1.233 1147 F CB -2.480 36.485 39.000 -0.059 0.000 1.708 1147 F HN -0.074 nan 8.300 nan 0.000 0.298 1148 T N 2.230 116.838 114.554 0.090 0.000 2.853 1148 T HA 0.425 4.775 4.350 0.000 0.000 0.298 1148 T C 0.529 175.248 174.700 0.032 0.000 0.978 1148 T CA -0.152 62.008 62.100 0.101 0.000 1.152 1148 T CB 1.008 69.943 68.868 0.112 0.000 0.914 1148 T HN 0.051 nan 8.240 nan 0.000 0.539 1149 V N 5.306 125.256 119.914 0.060 0.000 2.567 1149 V HA 0.476 4.596 4.120 0.000 0.000 0.289 1149 V C 0.269 176.400 176.094 0.063 0.000 1.049 1149 V CA -0.478 61.837 62.300 0.024 0.000 0.969 1149 V CB 1.270 33.105 31.823 0.020 0.000 0.995 1149 V HN 0.775 nan 8.190 nan 0.000 0.471 1150 K N 3.612 124.027 120.400 0.026 0.000 2.508 1150 K HA 0.583 4.903 4.320 0.000 0.000 0.260 1150 K C -1.611 175.002 176.600 0.022 0.000 0.949 1150 K CA -0.973 55.340 56.287 0.043 0.000 0.834 1150 K CB 2.364 34.866 32.500 0.003 0.000 1.365 1150 K HN 0.290 nan 8.250 nan 0.000 0.437 1151 I N 1.507 122.106 120.570 0.049 0.000 2.474 1151 I HA 0.205 4.375 4.170 0.000 0.000 0.287 1151 I C 1.157 177.257 176.117 -0.029 0.000 1.048 1151 I CA 0.150 61.457 61.300 0.012 0.000 1.383 1151 I CB 0.633 38.685 38.000 0.088 0.000 1.412 1151 I HN 1.046 nan 8.210 nan 0.000 0.531 1152 G N 3.990 112.641 108.800 -0.249 0.000 2.626 1152 G HA2 0.006 3.966 3.960 0.000 0.000 0.193 1152 G HA3 0.006 3.966 3.960 0.000 0.000 0.193 1152 G C -0.170 174.430 174.900 -0.499 0.000 1.195 1152 G CA 0.037 44.979 45.100 -0.263 0.000 0.864 1152 G HN 0.507 nan 8.290 nan 0.000 0.790 1153 D N 0.132 120.129 120.400 -0.670 0.000 2.440 1153 D HA 0.433 5.073 4.640 0.000 0.000 0.252 1153 D C -0.620 175.326 176.300 -0.591 0.000 1.180 1153 D CA -0.922 52.808 54.000 -0.450 0.000 0.894 1153 D CB 0.615 41.305 40.800 -0.183 0.000 1.111 1153 D HN 0.052 nan 8.370 nan 0.000 0.544 1154 F N 1.223 121.120 119.950 -0.089 0.000 2.750 1154 F HA 0.316 4.843 4.527 0.000 0.000 0.297 1154 F C 2.147 177.871 175.800 -0.127 0.000 1.138 1154 F CA -0.681 57.197 58.000 -0.203 0.000 1.346 1154 F CB 0.928 39.857 39.000 -0.118 0.000 0.965 1154 F HN 0.475 nan 8.300 nan 0.000 0.514 1155 G N 0.176 108.995 108.800 0.032 0.000 2.479 1155 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 1155 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 1155 G C 1.404 176.315 174.900 0.018 0.000 1.115 1155 G CA 0.763 45.893 45.100 0.050 0.000 0.757 1155 G HN 0.315 nan 8.290 nan 0.000 0.560 1156 M N 1.065 120.648 119.600 -0.029 0.000 2.313 1156 M HA 0.225 4.705 4.480 0.000 0.000 0.273 1156 M C 1.160 177.427 176.300 -0.056 0.000 1.049 1156 M CA 0.031 55.301 55.300 -0.050 0.000 1.004 1156 M CB 0.619 33.181 32.600 -0.063 0.000 1.461 1156 M HN 0.089 nan 8.290 nan 0.000 0.514 1157 T N 0.302 114.841 114.554 -0.025 0.000 2.913 1157 T HA 0.547 4.897 4.350 0.000 0.000 0.297 1157 T C 0.034 174.805 174.700 0.119 0.000 1.029 1157 T CA -0.601 61.522 62.100 0.039 0.000 1.104 1157 T CB 0.960 69.868 68.868 0.065 0.000 0.964 1157 T HN 0.134 nan 8.240 nan 0.000 0.532 1158 R N 1.813 122.414 120.500 0.168 0.000 2.686 1158 R HA 0.406 4.746 4.340 0.000 0.000 0.283 1158 R C -1.006 175.393 176.300 0.165 0.000 0.978 1158 R CA -0.869 55.324 56.100 0.154 0.000 0.897 1158 R CB 1.663 31.995 30.300 0.052 0.000 1.192 1158 R HN 0.810 nan 8.270 nan 0.000 0.457 1159 D N 2.567 122.999 120.400 0.054 0.000 2.389 1159 D HA 0.303 4.943 4.640 0.000 0.000 0.247 1159 D C 0.237 176.410 176.300 -0.212 0.000 1.128 1159 D CA -0.020 53.800 54.000 -0.301 0.000 0.884 1159 D CB 0.639 41.280 40.800 -0.266 0.000 1.194 1159 D HN 0.477 nan 8.370 nan 0.000 0.441 1163 T N 0.397 114.934 114.554 -0.030 0.000 12.550 1163 T HA -0.176 4.174 4.350 0.000 0.000 0.392 1163 T C -0.034 174.648 174.700 -0.029 0.000 1.636 1163 T CA 0.750 62.836 62.100 -0.023 0.000 2.687 1163 T CB -1.288 67.568 68.868 -0.021 0.000 2.506 1163 T HN 0.798 nan 8.240 nan 0.000 0.474 1168 K N 2.170 122.686 120.400 0.193 0.000 2.379 1168 K HA 0.271 4.591 4.320 0.000 0.000 0.284 1168 K C 0.763 177.419 176.600 0.093 0.000 1.044 1168 K CA 0.709 57.087 56.287 0.151 0.000 0.974 1168 K CB 1.122 33.758 32.500 0.227 0.000 0.962 1168 K HN 0.676 nan 8.250 nan 0.000 0.474 1169 G N 2.767 111.606 108.800 0.065 0.000 2.499 1169 G HA2 0.021 3.981 3.960 0.000 0.000 0.213 1169 G HA3 0.021 3.981 3.960 0.000 0.000 0.213 1169 G C 0.679 175.604 174.900 0.042 0.000 1.230 1169 G CA 0.592 45.720 45.100 0.046 0.000 0.813 1169 G HN 0.707 nan 8.290 nan 0.000 0.542 1170 G N -0.468 108.356 108.800 0.040 0.000 2.882 1170 G HA2 0.413 4.373 3.960 0.000 0.000 0.164 1170 G HA3 0.413 4.373 3.960 0.000 0.000 0.164 1170 G C -0.287 174.636 174.900 0.039 0.000 1.429 1170 G CA -0.513 44.608 45.100 0.034 0.000 1.059 1170 G HN 0.164 nan 8.290 nan 0.000 0.581 1171 K N 0.724 121.144 120.400 0.033 0.000 2.368 1171 K HA 0.346 4.666 4.320 0.000 0.000 0.282 1171 K C 0.218 176.843 176.600 0.042 0.000 1.035 1171 K CA 0.118 56.426 56.287 0.036 0.000 0.973 1171 K CB 0.746 33.262 32.500 0.028 0.000 0.957 1171 K HN 0.466 nan 8.250 nan 0.000 0.474 1172 G N 2.122 110.954 108.800 0.054 0.000 2.473 1172 G HA2 0.537 4.497 3.960 0.000 0.000 0.321 1172 G HA3 0.537 4.497 3.960 0.000 0.000 0.321 1172 G C 0.131 175.063 174.900 0.054 0.000 1.200 1172 G CA -0.613 44.521 45.100 0.057 0.000 0.963 1172 G HN 0.553 nan 8.290 nan 0.000 0.483 1173 L N 0.657 121.906 121.223 0.044 0.000 3.069 1173 L HA 0.316 4.656 4.340 0.000 0.000 0.271 1173 L C 0.366 177.267 176.870 0.052 0.000 1.201 1173 L CA -0.156 54.709 54.840 0.041 0.000 1.015 1173 L CB 0.106 42.178 42.059 0.021 0.000 1.371 1173 L HN 0.203 nan 8.230 nan 0.000 0.574 1174 L N 2.209 123.475 121.223 0.071 0.000 2.499 1174 L HA 0.121 4.461 4.340 0.000 0.000 0.273 1174 L C -1.779 175.176 176.870 0.141 0.000 1.195 1174 L CA -1.611 53.287 54.840 0.096 0.000 0.882 1174 L CB -0.060 42.080 42.059 0.134 0.000 1.133 1174 L HN -0.132 nan 8.230 nan 0.000 0.483 1175 P HA -0.064 nan 4.420 nan 0.000 0.263 1175 P C 0.835 178.343 177.300 0.346 0.000 1.195 1175 P CA -0.156 63.098 63.100 0.256 0.000 0.762 1175 P CB 0.673 32.547 31.700 0.289 0.000 0.799 1176 V N 3.017 123.082 119.914 0.252 0.000 2.759 1176 V HA -0.209 3.911 4.120 0.000 0.000 0.256 1176 V C 1.662 177.868 176.094 0.188 0.000 1.080 1176 V CA 1.144 63.552 62.300 0.179 0.000 1.101 1176 V CB -0.942 30.925 31.823 0.073 0.000 0.698 1176 V HN 0.396 nan 8.190 nan 0.000 0.477 1177 R N -0.810 119.848 120.500 0.262 0.000 2.237 1177 R HA -0.025 4.315 4.340 0.000 0.000 0.219 1177 R C 1.860 178.183 176.300 0.038 0.000 1.080 1177 R CA 1.513 57.658 56.100 0.076 0.000 0.995 1177 R CB -0.331 29.901 30.300 -0.114 0.000 0.875 1177 R HN 0.636 nan 8.270 nan 0.000 0.462 1178 W N 0.376 121.833 121.300 0.263 0.000 3.220 1178 W HA 0.285 4.945 4.660 0.000 0.000 0.328 1178 W C 0.371 177.121 176.519 0.385 0.000 1.205 1178 W CA -0.532 57.014 57.345 0.335 0.000 1.773 1178 W CB 0.221 29.838 29.460 0.262 0.000 1.086 1178 W HN -0.017 nan 8.180 nan 0.000 0.622 1179 M N 1.131 120.968 119.600 0.394 0.000 2.249 1179 M HA 0.070 4.550 4.480 0.000 0.000 0.351 1179 M C 1.070 177.200 176.300 -0.283 0.000 1.180 1179 M CA 0.153 55.545 55.300 0.152 0.000 1.127 1179 M CB 1.350 34.012 32.600 0.103 0.000 1.546 1179 M HN -0.262 nan 8.290 nan 0.000 0.461 1180 S N 2.711 118.053 115.700 -0.597 0.000 2.593 1180 S HA 0.258 4.728 4.470 0.000 0.000 0.269 1180 S C -2.146 171.887 174.600 -0.946 0.000 1.334 1180 S CA -1.143 56.260 58.200 -1.329 0.000 1.015 1180 S CB 0.368 63.099 63.200 -0.782 0.000 0.912 1180 S HN 0.462 nan 8.310 nan 0.000 0.541 1181 P HA -0.159 nan 4.420 nan 0.000 0.216 1181 P C 1.586 178.575 177.300 -0.518 0.000 1.150 1181 P CA 1.354 64.035 63.100 -0.699 0.000 0.837 1181 P CB -0.048 31.146 31.700 -0.844 0.000 0.786 1182 E N -0.598 119.284 120.200 -0.531 0.000 2.158 1182 E HA -0.052 4.298 4.350 0.000 0.000 0.191 1182 E C 1.635 178.018 176.600 -0.362 0.000 0.982 1182 E CA 1.148 57.326 56.400 -0.370 0.000 0.823 1182 E CB -1.041 28.479 29.700 -0.301 0.000 0.766 1182 E HN 0.134 nan 8.360 nan 0.000 0.468 1183 S N 1.663 117.083 115.700 -0.467 0.000 2.368 1183 S HA -0.004 4.466 4.470 0.000 0.000 0.224 1183 S C 2.148 176.528 174.600 -0.366 0.000 1.029 1183 S CA 0.898 58.738 58.200 -0.601 0.000 0.988 1183 S CB -0.321 62.415 63.200 -0.773 0.000 0.838 1183 S HN 0.211 nan 8.310 nan 0.000 0.462 1184 L N 1.017 122.064 121.223 -0.293 0.000 2.127 1184 L HA -0.110 4.230 4.340 0.000 0.000 0.211 1184 L C 2.548 179.329 176.870 -0.148 0.000 1.089 1184 L CA 1.232 55.961 54.840 -0.185 0.000 0.757 1184 L CB -0.344 41.597 42.059 -0.196 0.000 0.899 1184 L HN 0.292 nan 8.230 nan 0.000 0.434 1185 K N -0.871 119.424 120.400 -0.175 0.000 2.166 1185 K HA -0.067 4.253 4.320 0.000 0.000 0.201 1185 K C 0.759 177.300 176.600 -0.099 0.000 1.052 1185 K CA 1.013 57.227 56.287 -0.121 0.000 0.969 1185 K CB 0.443 32.871 32.500 -0.120 0.000 0.761 1185 K HN 0.207 nan 8.250 nan 0.000 0.459 1186 D N -1.918 118.407 120.400 -0.127 0.000 2.510 1186 D HA 0.113 4.753 4.640 0.000 0.000 0.234 1186 D C 0.195 176.442 176.300 -0.087 0.000 1.178 1186 D CA 0.634 54.579 54.000 -0.091 0.000 0.816 1186 D CB 1.459 42.208 40.800 -0.085 0.000 1.143 1186 D HN 0.322 nan 8.370 nan 0.000 0.526 1187 G N 1.550 110.261 108.800 -0.148 0.000 2.182 1187 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 1187 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 1187 G C 0.136 174.946 174.900 -0.150 0.000 1.042 1187 G CA 0.232 45.272 45.100 -0.101 0.000 0.775 1187 G HN 0.233 nan 8.290 nan 0.000 0.501 1188 V N 0.171 119.872 119.914 -0.354 0.000 2.427 1188 V HA 0.767 4.887 4.120 0.000 0.000 0.286 1188 V C -0.041 175.766 176.094 -0.478 0.000 1.034 1188 V CA -0.534 61.621 62.300 -0.242 0.000 0.893 1188 V CB 1.230 32.961 31.823 -0.153 0.000 0.982 1188 V HN 0.247 nan 8.190 nan 0.000 0.452 1189 F N 2.746 122.702 119.950 0.011 0.000 2.507 1189 F HA 0.733 5.260 4.527 0.000 0.000 0.325 1189 F C 0.506 176.310 175.800 0.006 0.000 1.116 1189 F CA -0.390 57.626 58.000 0.027 0.000 0.930 1189 F CB 2.391 41.423 39.000 0.052 0.000 1.146 1189 F HN 0.607 nan 8.300 nan 0.000 0.447 1190 T N -3.376 111.264 114.554 0.144 0.000 2.804 1190 T HA 0.269 4.619 4.350 0.000 0.000 0.290 1190 T C 0.849 175.544 174.700 -0.010 0.000 1.099 1190 T CA -0.056 62.027 62.100 -0.028 0.000 1.011 1190 T CB 1.272 70.029 68.868 -0.185 0.000 1.291 1190 T HN 0.575 nan 8.240 nan 0.000 0.523 1191 T N -1.530 112.909 114.554 -0.190 0.000 2.962 1191 T HA -0.102 4.248 4.350 0.000 0.000 0.270 1191 T C 1.323 176.048 174.700 0.042 0.000 1.088 1191 T CA 0.960 63.038 62.100 -0.036 0.000 1.127 1191 T CB -0.848 67.971 68.868 -0.082 0.000 0.883 1191 T HN 0.573 nan 8.240 nan 0.000 0.493 1192 Y N 2.919 123.257 120.300 0.063 0.000 2.242 1192 Y HA -0.009 4.541 4.550 0.000 0.000 0.291 1192 Y C 3.212 179.182 175.900 0.118 0.000 1.137 1192 Y CA 0.416 58.541 58.100 0.041 0.000 1.181 1192 Y CB -1.202 37.270 38.460 0.020 0.000 0.989 1192 Y HN 0.494 nan 8.280 nan 0.000 0.527 1193 S N -0.469 115.396 115.700 0.274 0.000 2.387 1193 S HA -0.147 4.323 4.470 0.000 0.000 0.226 1193 S C 1.584 176.424 174.600 0.399 0.000 1.026 1193 S CA 1.228 59.589 58.200 0.269 0.000 0.972 1193 S CB -0.501 62.791 63.200 0.153 0.000 0.814 1193 S HN 0.289 nan 8.310 nan 0.000 0.477 1194 D N 1.832 122.463 120.400 0.385 0.000 2.133 1194 D HA -0.071 4.569 4.640 0.000 0.000 0.195 1194 D C 2.046 178.665 176.300 0.533 0.000 0.997 1194 D CA 1.170 55.455 54.000 0.475 0.000 0.840 1194 D CB -0.677 40.429 40.800 0.509 0.000 0.947 1194 D HN 0.326 nan 8.370 nan 0.000 0.452 1195 V N 0.760 120.844 119.914 0.283 0.000 2.407 1195 V HA -0.205 3.915 4.120 0.000 0.000 0.248 1195 V C 2.103 178.424 176.094 0.379 0.000 1.055 1195 V CA 1.313 63.666 62.300 0.090 0.000 1.049 1195 V CB -0.505 31.174 31.823 -0.240 0.000 0.662 1195 V HN 0.417 nan 8.190 nan 0.000 0.455 1196 W N 1.128 122.585 121.300 0.261 0.000 2.333 1196 W HA -0.219 4.441 4.660 0.000 0.000 0.316 1196 W C 2.515 179.301 176.519 0.446 0.000 1.215 1196 W CA 2.174 59.734 57.345 0.358 0.000 1.278 1196 W CB -0.653 28.976 29.460 0.281 0.000 1.154 1196 W HN 0.312 nan 8.180 nan 0.000 0.486 1197 S N 0.801 116.955 115.700 0.757 0.000 2.383 1197 S HA -0.250 4.220 4.470 0.000 0.000 0.229 1197 S C 1.571 176.486 174.600 0.524 0.000 1.030 1197 S CA 1.729 60.328 58.200 0.665 0.000 1.002 1197 S CB -1.064 62.498 63.200 0.604 0.000 0.829 1197 S HN 0.371 nan 8.310 nan 0.000 0.467 1198 F N 2.487 122.664 119.950 0.377 0.000 2.126 1198 F HA -0.061 4.466 4.527 0.000 0.000 0.299 1198 F C 2.223 178.136 175.800 0.188 0.000 1.096 1198 F CA 1.386 59.573 58.000 0.312 0.000 1.255 1198 F CB -0.901 38.391 39.000 0.486 0.000 0.997 1198 F HN 0.219 nan 8.300 nan 0.000 0.479 1199 G N -0.214 108.670 108.800 0.141 0.000 2.448 1199 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 1199 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 1199 G C 1.649 176.552 174.900 0.006 0.000 1.127 1199 G CA 1.120 46.085 45.100 -0.224 0.000 0.766 1199 G HN 0.375 nan 8.290 nan 0.000 0.552 1200 V N 0.672 120.733 119.914 0.245 0.000 2.488 1200 V HA -0.118 4.002 4.120 0.000 0.000 0.246 1200 V C 2.988 179.250 176.094 0.281 0.000 1.046 1200 V CA 1.467 63.928 62.300 0.268 0.000 1.053 1200 V CB 0.193 32.052 31.823 0.060 0.000 0.679 1200 V HN 0.360 nan 8.190 nan 0.000 0.458 1201 V N -0.844 119.207 119.914 0.229 0.000 2.626 1201 V HA -0.161 3.959 4.120 0.000 0.000 0.252 1201 V C 2.083 178.197 176.094 0.033 0.000 1.067 1201 V CA 1.681 64.091 62.300 0.184 0.000 1.081 1201 V CB -0.431 31.463 31.823 0.119 0.000 0.686 1201 V HN 0.463 nan 8.190 nan 0.000 0.468 1202 L N -1.375 119.774 121.223 -0.122 0.000 1.994 1202 L HA -0.142 4.198 4.340 0.000 0.000 0.208 1202 L C 2.424 179.323 176.870 0.048 0.000 1.071 1202 L CA 2.614 57.370 54.840 -0.140 0.000 0.745 1202 L CB -0.704 41.198 42.059 -0.261 0.000 0.892 1202 L HN 0.593 nan 8.230 nan 0.000 0.431 1203 W N 1.375 122.659 121.300 -0.027 0.000 2.335 1203 W HA -0.238 4.422 4.660 0.000 0.000 0.311 1203 W C 2.493 179.027 176.519 0.025 0.000 1.213 1203 W CA 1.931 59.308 57.345 0.053 0.000 1.274 1203 W CB -0.095 29.461 29.460 0.160 0.000 1.148 1203 W HN 0.115 nan 8.180 nan 0.000 0.498 1204 E N -0.077 120.322 120.200 0.333 0.000 2.070 1204 E HA -0.293 4.057 4.350 0.000 0.000 0.197 1204 E C 2.077 178.678 176.600 0.001 0.000 1.004 1204 E CA 2.088 58.600 56.400 0.187 0.000 0.805 1204 E CB -0.626 29.256 29.700 0.304 0.000 0.744 1204 E HN 0.388 nan 8.360 nan 0.000 0.451 1205 I N 0.661 121.237 120.570 0.010 0.000 2.394 1205 I HA -0.223 3.947 4.170 0.000 0.000 0.251 1205 I C 2.372 178.438 176.117 -0.084 0.000 1.136 1205 I CA 0.789 62.078 61.300 -0.018 0.000 1.425 1205 I CB -0.182 37.809 38.000 -0.014 0.000 1.079 1205 I HN 0.076 nan 8.210 nan 0.000 0.425 1206 A N 0.202 122.933 122.820 -0.149 0.000 2.072 1206 A HA -0.083 4.237 4.320 0.000 0.000 0.216 1206 A C 2.058 179.460 177.584 -0.304 0.000 1.156 1206 A CA 1.552 53.467 52.037 -0.203 0.000 0.701 1206 A CB -0.612 18.266 19.000 -0.203 0.000 0.816 1206 A HN 0.472 nan 8.150 nan 0.000 0.458 1207 T N -3.187 111.119 114.554 -0.413 0.000 3.134 1207 T HA 0.441 4.791 4.350 0.000 0.000 0.260 1207 T C 0.395 174.946 174.700 -0.250 0.000 1.027 1207 T CA -0.081 61.751 62.100 -0.447 0.000 0.913 1207 T CB -0.619 67.757 68.868 -0.819 0.000 1.046 1207 T HN 0.470 nan 8.240 nan 0.000 0.553 1208 L N 0.738 121.863 121.223 -0.163 0.000 3.762 1208 L HA -0.250 4.090 4.340 0.000 0.000 0.460 1208 L C 0.859 177.697 176.870 -0.054 0.000 1.255 1208 L CA 0.198 54.983 54.840 -0.091 0.000 0.783 1208 L CB -2.426 39.575 42.059 -0.096 0.000 1.600 1208 L HN 0.808 nan 8.230 nan 0.000 0.862 1209 A N -0.460 122.349 122.820 -0.019 0.000 2.734 1209 A HA -0.184 4.136 4.320 0.000 0.000 0.296 1209 A C 0.592 178.219 177.584 0.072 0.000 1.474 1209 A CA 1.560 53.638 52.037 0.067 0.000 0.735 1209 A CB -1.215 17.834 19.000 0.082 0.000 1.062 1209 A HN 0.700 nan 8.150 nan 0.000 0.463 1210 E N -0.161 120.058 120.200 0.032 0.000 2.314 1210 E HA 0.351 4.701 4.350 0.000 0.000 0.262 1210 E C 0.460 177.217 176.600 0.262 0.000 1.093 1210 E CA -0.757 55.695 56.400 0.087 0.000 0.908 1210 E CB 0.558 30.245 29.700 -0.021 0.000 1.091 1210 E HN 0.568 nan 8.360 nan 0.000 0.425 1211 Q N 2.075 122.012 119.800 0.227 0.000 2.293 1211 Q HA 0.131 4.471 4.340 0.000 0.000 0.263 1211 Q C -2.250 173.848 176.000 0.163 0.000 1.002 1211 Q CA -1.809 54.122 55.803 0.215 0.000 0.910 1211 Q CB 0.563 29.394 28.738 0.155 0.000 1.185 1211 Q HN 0.126 nan 8.270 nan 0.000 0.401 1212 P HA -0.084 nan 4.420 nan 0.000 0.263 1212 P C -1.281 175.802 177.300 -0.361 0.000 1.195 1212 P CA 0.431 63.155 63.100 -0.626 0.000 0.762 1212 P CB 0.079 31.265 31.700 -0.857 0.000 0.799 1213 Y N -0.401 119.685 120.300 -0.357 0.000 3.689 1213 Y HA -0.254 4.296 4.550 0.000 0.000 0.221 1213 Y C 0.998 176.819 175.900 -0.132 0.000 1.247 1213 Y CA 0.340 58.293 58.100 -0.245 0.000 1.671 1213 Y CB -2.581 35.740 38.460 -0.233 0.000 1.521 1213 Y HN 0.443 nan 8.280 nan 0.000 0.632 1214 Q N 1.244 121.058 119.800 0.025 0.000 2.315 1214 Q HA 0.297 4.637 4.340 0.000 0.000 0.289 1214 Q C 1.448 177.455 176.000 0.012 0.000 1.044 1214 Q CA 1.636 57.466 55.803 0.044 0.000 0.920 1214 Q CB 0.697 29.475 28.738 0.067 0.000 1.214 1214 Q HN 0.984 nan 8.270 nan 0.000 0.392 1215 G N 3.048 111.852 108.800 0.007 0.000 2.217 1215 G HA2 -0.231 3.729 3.960 0.000 0.000 0.246 1215 G HA3 -0.231 3.729 3.960 0.000 0.000 0.246 1215 G C -0.083 174.794 174.900 -0.038 0.000 0.990 1215 G CA 0.175 45.264 45.100 -0.017 0.000 0.627 1215 G HN 0.525 nan 8.290 nan 0.000 0.522 1216 L N 1.724 122.926 121.223 -0.036 0.000 2.331 1216 L HA 0.668 5.008 4.340 0.000 0.000 0.275 1216 L C 1.108 177.965 176.870 -0.021 0.000 1.022 1216 L CA -0.348 54.459 54.840 -0.056 0.000 0.812 1216 L CB 1.879 43.875 42.059 -0.106 0.000 1.257 1216 L HN 0.389 nan 8.230 nan 0.000 0.435 1217 S N 0.523 116.209 115.700 -0.024 0.000 2.632 1217 S HA 0.210 4.680 4.470 0.000 0.000 0.271 1217 S C 0.779 175.372 174.600 -0.012 0.000 1.260 1217 S CA -0.726 57.471 58.200 -0.006 0.000 1.010 1217 S CB 1.219 64.416 63.200 -0.005 0.000 0.965 1217 S HN 0.603 nan 8.310 nan 0.000 0.534 1218 N N 1.637 120.341 118.700 0.006 0.000 2.069 1218 N HA -0.170 4.570 4.740 0.000 0.000 0.196 1218 N C 1.591 177.092 175.510 -0.014 0.000 1.024 1218 N CA 1.811 54.864 53.050 0.005 0.000 0.869 1218 N CB -0.636 37.867 38.487 0.028 0.000 1.035 1218 N HN 0.757 nan 8.380 nan 0.000 0.434 1219 E N 0.834 121.029 120.200 -0.007 0.000 2.070 1219 E HA -0.212 4.138 4.350 0.000 0.000 0.197 1219 E C 1.834 178.423 176.600 -0.017 0.000 1.004 1219 E CA 1.218 57.612 56.400 -0.010 0.000 0.805 1219 E CB -0.091 29.606 29.700 -0.004 0.000 0.744 1219 E HN 0.564 nan 8.360 nan 0.000 0.451 1220 Q N -0.189 119.597 119.800 -0.022 0.000 2.123 1220 Q HA -0.080 4.261 4.340 0.000 0.000 0.199 1220 Q C 2.365 178.349 176.000 -0.027 0.000 0.966 1220 Q CA 0.911 56.701 55.803 -0.023 0.000 0.845 1220 Q CB 0.153 28.866 28.738 -0.040 0.000 0.907 1220 Q HN 0.139 nan 8.270 nan 0.000 0.439 1221 V N 1.451 121.315 119.914 -0.083 0.000 2.358 1221 V HA -0.249 3.871 4.120 0.000 0.000 0.246 1221 V C 2.246 178.255 176.094 -0.141 0.000 1.047 1221 V CA 1.169 63.358 62.300 -0.186 0.000 1.035 1221 V CB -0.576 31.071 31.823 -0.293 0.000 0.658 1221 V HN 0.414 nan 8.190 nan 0.000 0.452 1222 L N 0.250 121.416 121.223 -0.094 0.000 1.997 1222 L HA -0.233 4.107 4.340 0.000 0.000 0.216 1222 L C 2.739 179.572 176.870 -0.062 0.000 1.074 1222 L CA 2.250 57.042 54.840 -0.079 0.000 0.763 1222 L CB -0.847 41.185 42.059 -0.046 0.000 0.890 1222 L HN 0.323 nan 8.230 nan 0.000 0.434 1223 R N -1.601 118.886 120.500 -0.021 0.000 2.075 1223 R HA -0.206 4.134 4.340 0.000 0.000 0.232 1223 R C 2.163 178.470 176.300 0.011 0.000 1.126 1223 R CA 1.529 57.627 56.100 -0.004 0.000 0.963 1223 R CB -0.495 29.816 30.300 0.018 0.000 0.858 1223 R HN 0.310 nan 8.270 nan 0.000 0.435 1224 F N 1.115 120.998 119.950 -0.111 0.000 2.134 1224 F HA -0.181 4.346 4.527 0.000 0.000 0.299 1224 F C 1.939 177.685 175.800 -0.089 0.000 1.097 1224 F CA 1.220 59.160 58.000 -0.099 0.000 1.264 1224 F CB -0.150 38.777 39.000 -0.123 0.000 1.001 1224 F HN -0.284 nan 8.300 nan 0.000 0.479 1225 V N 0.466 120.242 119.914 -0.231 0.000 2.488 1225 V HA -0.283 3.837 4.120 0.000 0.000 0.246 1225 V C 2.417 178.407 176.094 -0.173 0.000 1.046 1225 V CA 1.940 64.081 62.300 -0.265 0.000 1.053 1225 V CB -0.570 31.125 31.823 -0.213 0.000 0.679 1225 V HN 0.356 nan 8.190 nan 0.000 0.458 1226 M N -0.357 119.163 119.600 -0.134 0.000 2.279 1226 M HA -0.149 4.331 4.480 0.000 0.000 0.264 1226 M C 1.780 178.109 176.300 0.049 0.000 1.062 1226 M CA 1.594 56.862 55.300 -0.053 0.000 1.099 1226 M CB -0.291 32.269 32.600 -0.066 0.000 1.394 1226 M HN 0.411 nan 8.290 nan 0.000 0.426 1227 E N -0.718 119.445 120.200 -0.061 0.000 2.479 1227 E HA 0.144 4.494 4.350 0.000 0.000 0.193 1227 E C 1.064 177.556 176.600 -0.180 0.000 1.049 1227 E CA 0.428 56.764 56.400 -0.106 0.000 0.870 1227 E CB 0.433 30.071 29.700 -0.102 0.000 0.944 1227 E HN 0.658 nan 8.360 nan 0.000 0.492 1228 G N 1.325 110.051 108.800 -0.124 0.000 2.192 1228 G HA2 -0.198 3.762 3.960 0.000 0.000 0.193 1228 G HA3 -0.198 3.762 3.960 0.000 0.000 0.193 1228 G C 0.610 175.377 174.900 -0.221 0.000 0.999 1228 G CA -0.449 44.590 45.100 -0.101 0.000 0.659 1228 G HN 0.459 nan 8.290 nan 0.000 0.503 1229 G N -0.514 107.910 108.800 -0.626 0.000 2.732 1229 G HA2 0.532 4.492 3.960 0.000 0.000 0.244 1229 G HA3 0.532 4.492 3.960 0.000 0.000 0.244 1229 G C -0.028 174.607 174.900 -0.442 0.000 1.226 1229 G CA 0.327 44.733 45.100 -1.158 0.000 0.860 1229 G HN 0.934 nan 8.290 nan 0.000 0.583 1230 L N -1.024 120.164 121.223 -0.059 0.000 2.479 1230 L HA 0.364 4.704 4.340 0.000 0.000 0.255 1230 L C -0.352 176.544 176.870 0.045 0.000 1.026 1230 L CA -0.984 53.841 54.840 -0.024 0.000 0.842 1230 L CB 2.085 44.156 42.059 0.021 0.000 1.444 1230 L HN 0.323 nan 8.230 nan 0.000 0.409 1231 L N 1.716 122.671 121.223 -0.447 0.000 2.410 1231 L HA 0.154 4.494 4.340 0.000 0.000 0.273 1231 L C -0.201 176.681 176.870 0.020 0.000 1.152 1231 L CA -0.273 54.244 54.840 -0.538 0.000 0.855 1231 L CB 0.236 41.508 42.059 -1.312 0.000 1.129 1231 L HN 0.445 nan 8.230 nan 0.000 0.463 1232 D N 3.418 123.871 120.400 0.088 0.000 2.414 1232 D HA -0.008 4.632 4.640 0.000 0.000 0.242 1232 D C 0.206 176.636 176.300 0.216 0.000 1.129 1232 D CA -0.049 54.048 54.000 0.161 0.000 0.885 1232 D CB 0.922 41.775 40.800 0.089 0.000 1.198 1232 D HN 0.343 nan 8.370 nan 0.000 0.437 1233 K N 2.792 123.080 120.400 -0.187 0.000 2.453 1233 K HA 0.067 4.387 4.320 0.000 0.000 0.280 1233 K C -2.295 174.172 176.600 -0.222 0.000 1.045 1233 K CA -1.023 54.884 56.287 -0.633 0.000 1.059 1233 K CB 0.262 31.890 32.500 -1.453 0.000 0.901 1233 K HN 0.074 nan 8.250 nan 0.000 0.475 1234 P HA -0.012 nan 4.420 nan 0.000 0.266 1234 P C -1.090 176.101 177.300 -0.182 0.000 1.195 1234 P CA -0.123 62.851 63.100 -0.211 0.000 0.768 1234 P CB 0.413 31.885 31.700 -0.380 0.000 0.838 1235 D N 2.184 122.495 120.400 -0.149 0.000 2.493 1235 D HA -0.039 4.601 4.640 0.000 0.000 0.240 1235 D C 0.839 177.067 176.300 -0.120 0.000 1.142 1235 D CA 0.810 54.739 54.000 -0.119 0.000 0.872 1235 D CB -0.521 40.222 40.800 -0.095 0.000 1.173 1235 D HN 0.446 nan 8.370 nan 0.000 0.467 1236 N N -0.726 117.914 118.700 -0.100 0.000 2.965 1236 N HA -0.218 4.522 4.740 0.000 0.000 0.232 1236 N C -0.071 175.388 175.510 -0.085 0.000 0.913 1236 N CA 0.432 53.432 53.050 -0.083 0.000 0.981 1236 N CB -1.007 37.432 38.487 -0.079 0.000 1.077 1236 N HN 0.505 nan 8.380 nan 0.000 0.589 1237 C N 2.017 121.255 119.300 -0.103 0.000 2.653 1237 C HA 0.255 4.715 4.460 0.000 0.000 0.421 1237 C C -1.794 173.171 174.990 -0.042 0.000 1.334 1237 C CA -1.217 57.752 59.018 -0.083 0.000 1.885 1237 C CB -0.219 27.463 27.740 -0.096 0.000 2.645 1237 C HN 0.154 nan 8.230 nan 0.000 0.601 1238 P HA 0.125 nan 4.420 nan 0.000 0.267 1238 P C 0.505 177.827 177.300 0.035 0.000 1.209 1238 P CA 0.366 63.465 63.100 -0.002 0.000 0.763 1238 P CB 0.495 32.190 31.700 -0.008 0.000 0.816 1239 D N 2.314 122.736 120.400 0.037 0.000 2.200 1239 D HA -0.245 4.396 4.640 0.000 0.000 0.192 1239 D C 1.585 177.939 176.300 0.090 0.000 1.008 1239 D CA 1.510 55.555 54.000 0.075 0.000 0.872 1239 D CB -0.328 40.501 40.800 0.048 0.000 0.923 1239 D HN 0.416 nan 8.370 nan 0.000 0.447 1240 M N -0.123 119.502 119.600 0.043 0.000 2.067 1240 M HA -0.180 4.300 4.480 0.000 0.000 0.260 1240 M C 2.168 178.474 176.300 0.010 0.000 1.069 1240 M CA 1.235 56.546 55.300 0.018 0.000 1.117 1240 M CB -0.307 32.292 32.600 -0.001 0.000 1.334 1240 M HN 0.058 nan 8.290 nan 0.000 0.407 1241 L N 0.559 121.794 121.223 0.019 0.000 2.079 1241 L HA -0.200 4.140 4.340 0.000 0.000 0.210 1241 L C 2.217 179.097 176.870 0.017 0.000 1.081 1241 L CA 1.763 56.604 54.840 0.002 0.000 0.752 1241 L CB -0.945 41.115 42.059 0.001 0.000 0.896 1241 L HN 0.441 nan 8.230 nan 0.000 0.433 1242 F N -0.176 119.734 119.950 -0.066 0.000 2.259 1242 F HA -0.110 4.417 4.527 0.000 0.000 0.298 1242 F C 2.319 178.062 175.800 -0.095 0.000 1.088 1242 F CA 1.260 59.225 58.000 -0.060 0.000 1.358 1242 F CB -0.080 38.922 39.000 0.004 0.000 1.040 1242 F HN 0.090 nan 8.300 nan 0.000 0.505 1243 E N 0.556 120.665 120.200 -0.150 0.000 2.106 1243 E HA -0.133 4.217 4.350 0.000 0.000 0.192 1243 E C 2.368 178.792 176.600 -0.294 0.000 0.984 1243 E CA 0.885 57.139 56.400 -0.243 0.000 0.806 1243 E CB -0.515 29.140 29.700 -0.075 0.000 0.750 1243 E HN 0.465 nan 8.360 nan 0.000 0.458 1244 L N -0.334 120.753 121.223 -0.227 0.000 2.046 1244 L HA -0.200 4.140 4.340 0.000 0.000 0.208 1244 L C 2.217 178.852 176.870 -0.392 0.000 1.077 1244 L CA 1.207 55.917 54.840 -0.216 0.000 0.747 1244 L CB -0.206 41.785 42.059 -0.114 0.000 0.896 1244 L HN 0.314 nan 8.230 nan 0.000 0.432 1245 M N -1.084 118.163 119.600 -0.588 0.000 2.108 1245 M HA -0.255 4.225 4.480 0.000 0.000 0.261 1245 M C 2.276 177.801 176.300 -1.293 0.000 1.066 1245 M CA 1.757 56.367 55.300 -1.150 0.000 1.107 1245 M CB -0.423 31.422 32.600 -1.260 0.000 1.356 1245 M HN 0.159 nan 8.290 nan 0.000 0.406 1246 R N -0.035 119.946 120.500 -0.864 0.000 2.120 1246 R HA -0.091 4.249 4.340 0.000 0.000 0.234 1246 R C 2.092 178.219 176.300 -0.288 0.000 1.123 1246 R CA 1.408 57.213 56.100 -0.492 0.000 0.975 1246 R CB -0.367 29.668 30.300 -0.441 0.000 0.866 1246 R HN 0.463 nan 8.270 nan 0.000 0.446 1247 M N -0.408 119.010 119.600 -0.303 0.000 2.156 1247 M HA -0.126 4.354 4.480 0.000 0.000 0.264 1247 M C 2.361 178.567 176.300 -0.157 0.000 1.067 1247 M CA 1.174 56.369 55.300 -0.174 0.000 1.131 1247 M CB -0.253 32.257 32.600 -0.149 0.000 1.368 1247 M HN 0.182 nan 8.290 nan 0.000 0.416 1248 C N -0.531 118.598 119.300 -0.284 0.000 2.422 1248 C HA -0.129 4.331 4.460 0.000 0.000 0.286 1248 C C 1.744 176.689 174.990 -0.075 0.000 1.412 1248 C CA 0.308 59.195 59.018 -0.218 0.000 1.786 1248 C CB -1.218 26.328 27.740 -0.324 0.000 1.835 1248 C HN 0.668 nan 8.230 nan 0.000 0.533 1249 W N -0.186 121.009 121.300 -0.175 0.000 3.132 1249 W HA 0.277 4.937 4.660 0.000 0.000 0.364 1249 W C 0.656 177.255 176.519 0.134 0.000 1.129 1249 W CA -0.546 56.657 57.345 -0.236 0.000 1.815 1249 W CB -0.941 28.188 29.460 -0.550 0.000 1.099 1249 W HN 0.287 nan 8.180 nan 0.000 0.605 1250 Q N 0.578 120.536 119.800 0.263 0.000 2.348 1250 Q HA -0.193 4.147 4.340 0.000 0.000 0.331 1250 Q C 1.021 177.207 176.000 0.311 0.000 1.099 1250 Q CA 0.617 56.553 55.803 0.223 0.000 1.021 1250 Q CB 0.319 29.120 28.738 0.105 0.000 1.166 1250 Q HN 0.338 nan 8.270 nan 0.000 0.393 1251 Y N 3.176 123.571 120.300 0.160 0.000 2.114 1251 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 1251 Y C 1.009 176.932 175.900 0.040 0.000 1.143 1251 Y CA 1.760 59.924 58.100 0.106 0.000 1.135 1251 Y CB 0.157 38.641 38.460 0.039 0.000 0.980 1251 Y HN 0.659 nan 8.280 nan 0.000 0.499 1252 N N 1.138 119.934 118.700 0.161 0.000 2.431 1252 N HA 0.040 4.780 4.740 0.000 0.000 0.265 1252 N C -2.119 173.353 175.510 -0.064 0.000 1.184 1252 N CA -1.713 51.354 53.050 0.030 0.000 0.943 1252 N CB 1.132 39.641 38.487 0.037 0.000 1.080 1252 N HN 0.002 nan 8.380 nan 0.000 0.477 1253 P HA -0.173 nan 4.420 nan 0.000 0.217 1253 P C 0.596 177.583 177.300 -0.521 0.000 1.148 1253 P CA 1.460 64.440 63.100 -0.201 0.000 0.828 1253 P CB 0.249 31.899 31.700 -0.083 0.000 0.783 1254 K N -1.340 118.787 120.400 -0.455 0.000 2.365 1254 K HA 0.073 4.393 4.320 0.000 0.000 0.199 1254 K C 1.594 178.017 176.600 -0.294 0.000 1.045 1254 K CA 0.869 56.854 56.287 -0.504 0.000 0.962 1254 K CB -0.278 32.061 32.500 -0.268 0.000 0.759 1254 K HN 0.267 nan 8.250 nan 0.000 0.469 1255 M N 0.539 120.029 119.600 -0.184 0.000 2.502 1255 M HA 0.047 4.527 4.480 0.000 0.000 0.243 1255 M C 0.439 176.690 176.300 -0.081 0.000 1.130 1255 M CA 0.387 55.630 55.300 -0.095 0.000 1.055 1255 M CB -0.096 32.483 32.600 -0.036 0.000 1.457 1255 M HN -0.037 nan 8.290 nan 0.000 0.488 1256 R N 1.497 121.933 120.500 -0.106 0.000 2.582 1256 R HA 0.254 4.594 4.340 0.000 0.000 0.271 1256 R C -2.064 174.184 176.300 -0.087 0.000 1.078 1256 R CA -1.316 54.742 56.100 -0.069 0.000 1.127 1256 R CB -0.156 30.132 30.300 -0.021 0.000 1.038 1256 R HN 0.035 nan 8.270 nan 0.000 0.500 1257 P HA 0.014 nan 4.420 nan 0.000 0.274 1257 P C -0.756 176.465 177.300 -0.132 0.000 1.237 1257 P CA -0.367 62.678 63.100 -0.090 0.000 0.793 1257 P CB 1.026 32.670 31.700 -0.093 0.000 0.977 1258 S N 0.109 115.753 115.700 -0.093 0.000 2.654 1258 S HA 0.293 4.763 4.470 0.000 0.000 0.283 1258 S C 1.049 175.560 174.600 -0.148 0.000 1.180 1258 S CA -0.473 57.658 58.200 -0.115 0.000 1.021 1258 S CB 0.205 63.418 63.200 0.022 0.000 1.018 1258 S HN 0.195 nan 8.310 nan 0.000 0.532 1259 F N 0.605 120.542 119.950 -0.023 0.000 2.161 1259 F HA -0.043 4.484 4.527 0.000 0.000 0.300 1259 F C 2.124 177.918 175.800 -0.009 0.000 1.089 1259 F CA 1.119 59.056 58.000 -0.105 0.000 1.282 1259 F CB -0.841 38.099 39.000 -0.100 0.000 1.010 1259 F HN 0.494 nan 8.300 nan 0.000 0.485 1260 L N -0.371 121.008 121.223 0.260 0.000 2.042 1260 L HA -0.240 4.100 4.340 0.000 0.000 0.210 1260 L C 2.360 179.345 176.870 0.193 0.000 1.076 1260 L CA 1.587 56.601 54.840 0.289 0.000 0.749 1260 L CB -0.691 41.524 42.059 0.260 0.000 0.893 1260 L HN 0.196 nan 8.230 nan 0.000 0.432 1261 E N 0.166 120.426 120.200 0.099 0.000 2.077 1261 E HA -0.227 4.123 4.350 0.000 0.000 0.193 1261 E C 2.227 178.829 176.600 0.004 0.000 0.989 1261 E CA 1.249 57.677 56.400 0.047 0.000 0.800 1261 E CB -0.099 29.608 29.700 0.011 0.000 0.746 1261 E HN 0.489 nan 8.360 nan 0.000 0.452 1262 I N 0.964 121.524 120.570 -0.017 0.000 2.179 1262 I HA -0.276 3.894 4.170 0.000 0.000 0.242 1262 I C 2.347 178.429 176.117 -0.059 0.000 1.088 1262 I CA 1.061 62.340 61.300 -0.036 0.000 1.357 1262 I CB -0.252 37.713 38.000 -0.058 0.000 1.051 1262 I HN 0.096 nan 8.210 nan 0.000 0.409 1263 I N -0.113 120.411 120.570 -0.077 0.000 2.208 1263 I HA -0.308 3.862 4.170 0.000 0.000 0.245 1263 I C 2.665 178.565 176.117 -0.362 0.000 1.097 1263 I CA 1.246 62.409 61.300 -0.228 0.000 1.363 1263 I CB -0.470 37.371 38.000 -0.265 0.000 1.051 1263 I HN 0.160 nan 8.210 nan 0.000 0.413 1264 S N 0.456 116.002 115.700 -0.256 0.000 2.399 1264 S HA -0.164 4.306 4.470 0.000 0.000 0.231 1264 S C 2.148 176.690 174.600 -0.096 0.000 1.022 1264 S CA 1.730 59.834 58.200 -0.160 0.000 0.983 1264 S CB -0.246 62.981 63.200 0.046 0.000 0.803 1264 S HN 0.649 nan 8.310 nan 0.000 0.480 1265 S N 1.199 116.853 115.700 -0.077 0.000 2.515 1265 S HA 0.050 4.520 4.470 0.000 0.000 0.231 1265 S C 1.414 175.974 174.600 -0.066 0.000 0.987 1265 S CA 0.771 58.940 58.200 -0.052 0.000 0.936 1265 S CB -0.542 62.634 63.200 -0.039 0.000 0.766 1265 S HN 0.761 nan 8.310 nan 0.000 0.528 1266 I N -2.259 118.245 120.570 -0.110 0.000 4.442 1266 I HA 0.356 4.526 4.170 0.000 0.000 0.331 1266 I C 1.520 177.536 176.117 -0.169 0.000 1.364 1266 I CA -0.494 60.734 61.300 -0.120 0.000 1.207 1266 I CB 0.128 38.057 38.000 -0.117 0.000 1.298 1266 I HN 0.082 nan 8.210 nan 0.000 0.463 1267 K N 1.566 121.846 120.400 -0.200 0.000 2.044 1267 K HA -0.171 4.150 4.320 0.000 0.000 0.210 1267 K C 1.508 178.073 176.600 -0.059 0.000 1.049 1267 K CA 2.090 58.255 56.287 -0.204 0.000 0.927 1267 K CB -0.544 31.850 32.500 -0.177 0.000 0.713 1267 K HN 0.176 nan 8.250 nan 0.000 0.443 1268 E N 0.883 121.080 120.200 -0.005 0.000 2.219 1268 E HA -0.188 4.162 4.350 0.000 0.000 0.198 1268 E C 1.663 178.257 176.600 -0.009 0.000 0.998 1268 E CA 1.421 57.836 56.400 0.025 0.000 0.818 1268 E CB -0.057 29.656 29.700 0.022 0.000 0.741 1268 E HN 0.402 nan 8.360 nan 0.000 0.477 1269 E N -0.955 119.213 120.200 -0.054 0.000 2.481 1269 E HA 0.026 4.376 4.350 0.000 0.000 0.195 1269 E C -0.021 176.528 176.600 -0.085 0.000 1.047 1269 E CA 0.099 56.462 56.400 -0.061 0.000 0.867 1269 E CB 0.230 29.887 29.700 -0.072 0.000 0.858 1269 E HN 0.111 nan 8.360 nan 0.000 0.513 1270 M N 0.918 120.437 119.600 -0.134 0.000 2.228 1270 M HA 0.157 4.637 4.480 0.000 0.000 0.326 1270 M C 0.379 176.662 176.300 -0.029 0.000 1.122 1270 M CA 0.097 55.293 55.300 -0.173 0.000 1.161 1270 M CB 0.439 32.754 32.600 -0.475 0.000 1.437 1270 M HN -0.051 nan 8.290 nan 0.000 0.465 1271 E N 1.599 121.808 120.200 0.016 0.000 2.404 1271 E HA 0.040 4.390 4.350 0.000 0.000 0.261 1271 E C -1.527 175.149 176.600 0.126 0.000 1.074 1271 E CA -1.427 55.015 56.400 0.070 0.000 0.917 1271 E CB 0.172 29.920 29.700 0.080 0.000 0.965 1271 E HN 0.377 nan 8.360 nan 0.000 0.433 1272 P HA -0.281 nan 4.420 nan 0.000 0.221 1272 P C 1.267 178.640 177.300 0.121 0.000 1.160 1272 P CA 1.887 65.042 63.100 0.091 0.000 0.933 1272 P CB -0.103 31.634 31.700 0.061 0.000 0.793 1273 G N -2.076 106.801 108.800 0.128 0.000 2.470 1273 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 1273 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 1273 G C 1.336 176.332 174.900 0.159 0.000 1.121 1273 G CA 0.198 45.362 45.100 0.108 0.000 0.766 1273 G HN 0.178 nan 8.290 nan 0.000 0.553 1274 F N 1.289 121.309 119.950 0.117 0.000 2.147 1274 F HA -0.167 4.360 4.527 0.000 0.000 0.301 1274 F C 2.653 178.604 175.800 0.252 0.000 1.084 1274 F CA 1.788 59.911 58.000 0.204 0.000 1.268 1274 F CB -0.056 39.072 39.000 0.212 0.000 1.009 1274 F HN 0.093 nan 8.300 nan 0.000 0.486 1275 R N 0.233 120.860 120.500 0.213 0.000 2.120 1275 R HA -0.168 4.172 4.340 0.000 0.000 0.234 1275 R C 1.692 177.965 176.300 -0.045 0.000 1.123 1275 R CA 1.783 57.875 56.100 -0.014 0.000 0.975 1275 R CB -0.236 29.922 30.300 -0.238 0.000 0.866 1275 R HN 0.573 nan 8.270 nan 0.000 0.446 1276 E N -0.875 119.295 120.200 -0.049 0.000 2.498 1276 E HA -0.003 4.347 4.350 0.000 0.000 0.203 1276 E C 1.115 177.641 176.600 -0.124 0.000 1.013 1276 E CA 0.412 56.767 56.400 -0.076 0.000 0.927 1276 E CB 0.971 30.630 29.700 -0.069 0.000 1.012 1276 E HN 0.297 nan 8.360 nan 0.000 0.482 1277 V N -1.976 117.834 119.914 -0.175 0.000 3.408 1277 V HA 0.163 4.283 4.120 0.000 0.000 0.263 1277 V C 0.931 176.902 176.094 -0.205 0.000 1.503 1277 V CA 0.133 62.246 62.300 -0.312 0.000 1.046 1277 V CB 0.369 31.773 31.823 -0.698 0.000 0.851 1277 V HN 0.181 nan 8.190 nan 0.000 0.435 1278 S N 0.415 115.989 115.700 -0.209 0.000 2.584 1278 S HA 0.299 4.769 4.470 0.000 0.000 0.270 1278 S C 0.714 175.342 174.600 0.046 0.000 1.346 1278 S CA 0.369 58.463 58.200 -0.177 0.000 1.018 1278 S CB 0.783 63.398 63.200 -0.974 0.000 0.899 1278 S HN 0.584 nan 8.310 nan 0.000 0.542 1279 F N 2.190 122.180 119.950 0.068 0.000 2.234 1279 F HA 0.031 4.558 4.527 0.000 0.000 0.296 1279 F C 1.920 177.786 175.800 0.109 0.000 1.089 1279 F CA 0.974 59.049 58.000 0.124 0.000 1.343 1279 F CB -0.784 38.359 39.000 0.239 0.000 1.040 1279 F HN 0.818 nan 8.300 nan 0.000 0.498 1280 Y N 0.351 120.541 120.300 -0.182 0.000 2.062 1280 Y HA -0.358 4.192 4.550 0.000 0.000 0.276 1280 Y C 1.397 177.071 175.900 -0.376 0.000 1.189 1280 Y CA 2.366 60.267 58.100 -0.331 0.000 1.130 1280 Y CB -0.973 37.378 38.460 -0.183 0.000 0.959 1280 Y HN 0.170 nan 8.280 nan 0.000 0.499 1281 Y N 0.667 120.941 120.300 -0.043 0.000 2.547 1281 Y HA 0.139 4.689 4.550 0.000 0.000 0.325 1281 Y C 0.753 176.567 175.900 -0.144 0.000 1.165 1281 Y CA -0.365 57.686 58.100 -0.082 0.000 1.300 1281 Y CB -0.207 38.266 38.460 0.022 0.000 1.126 1281 Y HN 0.037 nan 8.280 nan 0.000 0.513 1282 S N -1.697 113.936 115.700 -0.111 0.000 2.681 1282 S HA 0.232 4.702 4.470 0.000 0.000 0.299 1282 S C 0.969 175.509 174.600 -0.100 0.000 1.113 1282 S CA -0.877 57.278 58.200 -0.075 0.000 1.013 1282 S CB 1.637 64.814 63.200 -0.039 0.000 1.076 1282 S HN 0.200 nan 8.310 nan 0.000 0.534 1283 E N 1.238 121.418 120.200 -0.032 0.000 2.110 1283 E HA -0.149 4.201 4.350 0.000 0.000 0.193 1283 E C 1.711 178.299 176.600 -0.019 0.000 0.988 1283 E CA 1.260 57.647 56.400 -0.022 0.000 0.804 1283 E CB -0.416 29.289 29.700 0.007 0.000 0.745 1283 E HN 0.801 nan 8.360 nan 0.000 0.458 1284 E N 0.848 121.067 120.200 0.031 0.000 2.114 1284 E HA -0.170 4.180 4.350 0.000 0.000 0.199 1284 E C 1.237 177.842 176.600 0.009 0.000 1.008 1284 E CA 0.693 57.157 56.400 0.107 0.000 0.810 1284 E CB -0.062 29.840 29.700 0.336 0.000 0.739 1284 E HN 0.055 nan 8.360 nan 0.000 0.456 1285 N N 0.000 118.551 118.700 -0.249 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.830 53.050 -0.367 0.000 0.885 1285 N CB 0.000 38.016 38.487 -0.786 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667