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 1r3h_1_A DATA FIRST_RESID 1001 DATA SEQUENCE GSHSLRYFYT AVSRPGLGEP WFIIVGYVDD MQVLRFSSKE ETPRMXXXAP DATA SEQUENCE WLEQEEADDW EQQTHIVTIQ GQLSERNLMT LVHFYNKSMD DSHTLQWLQD DATA SEQUENCE cDVEPDRHLc LWYNQLAYDS EDLPTLSENP SScTXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXQHL EGHcSDVLQK YLEKGKERLL RSDPPKAHVT RHPRPEGDVT DATA SEQUENCE LRcWALGFYP ADITLTWQKD GEELTXXVEF VETRPAGDGT FQKWAAVVVP DATA SEQUENCE LGKVQSYTcH VDHEGLPEPL TLRWEP 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 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1001 G C 0.000 174.735 174.900 -0.275 0.000 0.946 1001 G CA 0.000 45.019 45.100 -0.136 0.000 0.502 1002 S N 1.247 116.800 115.700 -0.245 0.000 2.693 1002 S HA 0.819 5.289 4.470 -0.000 0.000 0.276 1002 S C -0.186 174.155 174.600 -0.432 0.000 1.192 1002 S CA -0.797 57.259 58.200 -0.240 0.000 0.994 1002 S CB 1.684 64.859 63.200 -0.041 0.000 1.012 1002 S HN 0.565 nan 8.310 nan 0.000 0.550 1003 H N -0.190 118.940 119.070 0.100 0.000 2.797 1003 H HA 0.667 5.223 4.556 -0.000 0.000 0.372 1003 H C -0.331 175.067 175.328 0.117 0.000 1.168 1003 H CA -0.633 55.480 56.048 0.108 0.000 1.163 1003 H CB 1.898 31.739 29.762 0.132 0.000 1.778 1003 H HN 0.843 nan 8.280 nan 0.000 0.551 1004 S N 1.011 116.853 115.700 0.238 0.000 2.648 1004 S HA 0.590 5.060 4.470 -0.000 0.000 0.305 1004 S C -0.801 173.915 174.600 0.193 0.000 1.094 1004 S CA -0.841 57.456 58.200 0.162 0.000 0.983 1004 S CB 1.860 65.098 63.200 0.063 0.000 1.101 1004 S HN 0.425 nan 8.310 nan 0.000 0.514 1005 L N 1.741 123.075 121.223 0.186 0.000 2.490 1005 L HA 0.525 4.865 4.340 -0.000 0.000 0.261 1005 L C -1.247 175.767 176.870 0.240 0.000 1.232 1005 L CA -0.290 54.691 54.840 0.234 0.000 0.892 1005 L CB 1.052 43.314 42.059 0.339 0.000 1.085 1005 L HN 0.737 nan 8.230 nan 0.000 0.491 1006 R N 2.796 123.382 120.500 0.144 0.000 2.532 1006 R HA 0.531 4.871 4.340 -0.000 0.000 0.295 1006 R C -1.405 174.946 176.300 0.084 0.000 0.968 1006 R CA -0.616 55.508 56.100 0.040 0.000 0.916 1006 R CB 1.355 31.514 30.300 -0.235 0.000 1.124 1006 R HN 0.366 nan 8.270 nan 0.000 0.463 1007 Y N 1.416 121.624 120.300 -0.154 0.000 2.360 1007 Y HA 0.405 4.955 4.550 -0.000 0.000 0.337 1007 Y C 0.025 175.821 175.900 -0.174 0.000 1.039 1007 Y CA -0.852 57.237 58.100 -0.019 0.000 1.109 1007 Y CB 0.974 39.423 38.460 -0.018 0.000 1.201 1007 Y HN 0.357 nan 8.280 nan 0.000 0.458 1008 F N 2.148 122.240 119.950 0.237 0.000 2.432 1008 F HA 0.491 5.018 4.527 -0.000 0.000 0.329 1008 F C -0.708 175.284 175.800 0.321 0.000 1.076 1008 F CA -1.417 56.725 58.000 0.236 0.000 1.018 1008 F CB 1.234 40.361 39.000 0.212 0.000 1.201 1008 F HN 0.381 nan 8.300 nan 0.000 0.489 1009 Y N 0.487 120.987 120.300 0.334 0.000 2.330 1009 Y HA 0.449 4.999 4.550 -0.000 0.000 0.324 1009 Y C -1.165 174.915 175.900 0.301 0.000 1.093 1009 Y CA -0.466 57.816 58.100 0.305 0.000 1.103 1009 Y CB 1.547 40.150 38.460 0.237 0.000 1.183 1009 Y HN 0.557 nan 8.280 nan 0.000 0.433 1010 T N 5.602 120.207 114.554 0.084 0.000 2.815 1010 T HA 0.786 5.136 4.350 -0.000 0.000 0.289 1010 T C -0.874 173.783 174.700 -0.073 0.000 1.000 1010 T CA -0.468 61.680 62.100 0.079 0.000 0.958 1010 T CB 0.944 69.889 68.868 0.129 0.000 0.944 1010 T HN 0.717 nan 8.240 nan 0.000 0.442 1011 A N 3.329 126.112 122.820 -0.060 0.000 2.331 1011 A HA 0.827 5.147 4.320 -0.000 0.000 0.320 1011 A C -0.649 176.770 177.584 -0.275 0.000 1.138 1011 A CA -0.621 51.337 52.037 -0.132 0.000 0.790 1011 A CB 1.010 20.032 19.000 0.037 0.000 1.206 1011 A HN 0.658 nan 8.150 nan 0.000 0.470 1012 V N 2.209 121.712 119.914 -0.686 0.000 2.604 1012 V HA 0.562 4.682 4.120 -0.000 0.000 0.305 1012 V C 0.432 176.128 176.094 -0.663 0.000 1.043 1012 V CA -0.501 61.283 62.300 -0.860 0.000 0.888 1012 V CB 1.930 32.757 31.823 -1.661 0.000 0.995 1012 V HN 1.054 nan 8.190 nan 0.000 0.429 1013 S N 4.237 119.752 115.700 -0.310 0.000 2.513 1013 S HA 0.586 5.056 4.470 -0.000 0.000 0.276 1013 S C -0.252 174.317 174.600 -0.053 0.000 1.254 1013 S CA -0.695 57.446 58.200 -0.100 0.000 1.053 1013 S CB 0.882 64.114 63.200 0.053 0.000 0.958 1013 S HN 0.726 nan 8.310 nan 0.000 0.491 1014 R N 2.763 123.294 120.500 0.050 0.000 2.332 1014 R HA 0.359 4.699 4.340 -0.000 0.000 0.306 1014 R C -2.853 173.509 176.300 0.104 0.000 1.117 1014 R CA -2.146 54.029 56.100 0.126 0.000 1.108 1014 R CB 0.357 30.790 30.300 0.223 0.000 1.126 1014 R HN 0.449 nan 8.270 nan 0.000 0.548 1015 P HA 0.035 nan 4.420 nan 0.000 0.259 1015 P C 0.307 177.652 177.300 0.076 0.000 1.211 1015 P CA 0.692 63.841 63.100 0.082 0.000 0.810 1015 P CB 0.772 32.514 31.700 0.069 0.000 0.815 1016 G N 3.337 112.183 108.800 0.076 0.000 2.361 1016 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.294 1016 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.294 1016 G C 0.045 174.982 174.900 0.063 0.000 1.004 1016 G CA 0.184 45.324 45.100 0.067 0.000 0.870 1016 G HN 0.549 nan 8.290 nan 0.000 0.510 1017 L N -1.102 120.164 121.223 0.072 0.000 2.725 1017 L HA 0.613 4.953 4.340 -0.000 0.000 0.270 1017 L C 1.111 178.028 176.870 0.078 0.000 1.422 1017 L CA -0.126 54.754 54.840 0.067 0.000 0.770 1017 L CB 0.311 42.408 42.059 0.064 0.000 1.081 1017 L HN 0.895 nan 8.230 nan 0.000 0.527 1018 G N 1.448 110.294 108.800 0.077 0.000 2.715 1018 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.221 1018 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.221 1018 G C -0.762 174.200 174.900 0.103 0.000 1.204 1018 G CA 0.014 45.165 45.100 0.085 0.000 1.063 1018 G HN 0.520 nan 8.290 nan 0.000 0.586 1019 E N 0.622 120.903 120.200 0.134 0.000 2.433 1019 E HA 0.700 5.050 4.350 -0.000 0.000 0.278 1019 E C -2.973 173.748 176.600 0.200 0.000 0.976 1019 E CA -1.918 54.570 56.400 0.147 0.000 0.793 1019 E CB 2.247 32.029 29.700 0.138 0.000 1.311 1019 E HN 0.576 nan 8.360 nan 0.000 0.460 1020 P HA 0.104 nan 4.420 nan 0.000 0.273 1020 P C -0.989 176.468 177.300 0.262 0.000 1.250 1020 P CA -0.198 62.975 63.100 0.123 0.000 0.793 1020 P CB 0.320 32.043 31.700 0.039 0.000 1.011 1021 W N 0.819 122.189 121.300 0.116 0.000 3.518 1021 W HA 0.771 5.431 4.660 -0.000 0.000 0.331 1021 W C -1.410 175.232 176.519 0.206 0.000 1.205 1021 W CA -0.815 56.594 57.345 0.108 0.000 0.956 1021 W CB 0.328 29.787 29.460 -0.003 0.000 1.645 1021 W HN 0.519 nan 8.180 nan 0.000 0.615 1022 F N -0.738 119.366 119.950 0.258 0.000 2.926 1022 F HA 0.766 5.293 4.527 -0.000 0.000 0.321 1022 F C -1.934 173.925 175.800 0.098 0.000 1.168 1022 F CA -2.053 55.957 58.000 0.017 0.000 0.890 1022 F CB 1.401 40.267 39.000 -0.223 0.000 1.357 1022 F HN 0.686 nan 8.300 nan 0.000 0.468 1023 I N 2.364 122.995 120.570 0.102 0.000 2.763 1023 I HA 0.464 4.634 4.170 -0.000 0.000 0.279 1023 I C -2.127 174.113 176.117 0.206 0.000 1.495 1023 I CA -0.157 61.154 61.300 0.018 0.000 1.125 1023 I CB 0.892 38.902 38.000 0.017 0.000 1.467 1023 I HN 0.716 nan 8.210 nan 0.000 0.423 1024 I N 7.108 127.871 120.570 0.321 0.000 2.577 1024 I HA 0.632 4.802 4.170 -0.000 0.000 0.305 1024 I C -0.544 175.736 176.117 0.271 0.000 0.986 1024 I CA -0.892 60.633 61.300 0.375 0.000 1.189 1024 I CB 1.943 40.246 38.000 0.506 0.000 1.355 1024 I HN 0.242 nan 8.210 nan 0.000 0.476 1025 V N 2.425 122.506 119.914 0.279 0.000 2.823 1025 V HA 0.708 4.828 4.120 -0.000 0.000 0.312 1025 V C 0.087 176.260 176.094 0.132 0.000 1.072 1025 V CA -0.725 61.650 62.300 0.125 0.000 0.937 1025 V CB 1.745 33.579 31.823 0.019 0.000 1.013 1025 V HN 0.872 nan 8.190 nan 0.000 0.430 1026 G N 1.365 110.076 108.800 -0.148 0.000 2.502 1026 G HA2 0.628 4.588 3.960 -0.000 0.000 0.311 1026 G HA3 0.628 4.588 3.960 -0.000 0.000 0.311 1026 G C -1.667 173.063 174.900 -0.283 0.000 1.270 1026 G CA -0.283 44.626 45.100 -0.318 0.000 0.948 1026 G HN 0.520 nan 8.290 nan 0.000 0.487 1027 Y N 1.939 122.227 120.300 -0.021 0.000 2.328 1027 Y HA 0.374 4.924 4.550 -0.000 0.000 0.336 1027 Y C 0.014 175.920 175.900 0.009 0.000 0.960 1027 Y CA -0.659 57.462 58.100 0.035 0.000 1.134 1027 Y CB 2.754 41.335 38.460 0.201 0.000 1.166 1027 Y HN 0.289 nan 8.280 nan 0.000 0.464 1028 V N 5.771 125.746 119.914 0.102 0.000 2.247 1028 V HA 0.189 4.309 4.120 -0.000 0.000 0.262 1028 V C -0.061 176.156 176.094 0.205 0.000 1.096 1028 V CA -0.065 62.299 62.300 0.107 0.000 0.895 1028 V CB -0.477 31.325 31.823 -0.034 0.000 1.141 1028 V HN 1.021 nan 8.190 nan 0.000 0.478 1029 D N 2.632 123.167 120.400 0.224 0.000 4.517 1029 D HA -0.181 4.459 4.640 -0.000 0.000 0.136 1029 D C 0.259 176.695 176.300 0.227 0.000 0.779 1029 D CA 1.281 55.406 54.000 0.207 0.000 1.041 1029 D CB -0.408 40.539 40.800 0.245 0.000 0.602 1029 D HN 0.560 nan 8.370 nan 0.000 0.590 1030 D N 0.687 121.256 120.400 0.281 0.000 2.587 1030 D HA 0.189 4.829 4.640 -0.000 0.000 0.233 1030 D C -0.056 176.596 176.300 0.586 0.000 1.213 1030 D CA 0.163 54.367 54.000 0.340 0.000 0.827 1030 D CB 0.274 41.176 40.800 0.169 0.000 1.006 1030 D HN 0.064 nan 8.370 nan 0.000 0.490 1031 M N 0.878 120.787 119.600 0.514 0.000 2.263 1031 M HA 0.177 4.657 4.480 -0.000 0.000 0.295 1031 M C -0.366 175.993 176.300 0.097 0.000 1.028 1031 M CA -0.566 54.903 55.300 0.283 0.000 0.921 1031 M CB 2.472 35.140 32.600 0.113 0.000 1.601 1031 M HN -0.128 nan 8.290 nan 0.000 0.440 1032 Q N 2.545 122.238 119.800 -0.178 0.000 2.296 1032 Q HA 0.327 4.667 4.340 -0.000 0.000 0.263 1032 Q C 0.611 176.457 176.000 -0.257 0.000 1.026 1032 Q CA -0.161 55.292 55.803 -0.583 0.000 0.912 1032 Q CB 0.954 29.332 28.738 -0.601 0.000 1.198 1032 Q HN 0.737 nan 8.270 nan 0.000 0.407 1033 V N 2.516 122.195 119.914 -0.391 0.000 3.212 1033 V HA 0.357 4.477 4.120 -0.000 0.000 0.244 1033 V C 0.310 176.143 176.094 -0.434 0.000 1.151 1033 V CA 0.116 62.123 62.300 -0.488 0.000 1.119 1033 V CB 0.243 31.497 31.823 -0.948 0.000 0.838 1033 V HN 0.588 nan 8.190 nan 0.000 0.470 1034 L N 0.285 121.292 121.223 -0.359 0.000 2.376 1034 L HA 0.775 5.115 4.340 -0.000 0.000 0.258 1034 L C -0.829 175.950 176.870 -0.152 0.000 1.013 1034 L CA -0.684 54.016 54.840 -0.233 0.000 0.822 1034 L CB 2.202 44.143 42.059 -0.196 0.000 1.388 1034 L HN 0.142 nan 8.230 nan 0.000 0.413 1035 R N 2.589 123.060 120.500 -0.048 0.000 2.668 1035 R HA 0.558 4.898 4.340 -0.000 0.000 0.272 1035 R C -2.341 174.063 176.300 0.173 0.000 1.019 1035 R CA -0.520 55.595 56.100 0.024 0.000 0.894 1035 R CB 2.214 32.494 30.300 -0.033 0.000 1.228 1035 R HN 0.613 nan 8.270 nan 0.000 0.460 1036 F N 0.814 120.755 119.950 -0.015 0.000 2.639 1036 F HA 0.400 4.927 4.527 -0.000 0.000 0.320 1036 F C -1.377 174.366 175.800 -0.094 0.000 1.128 1036 F CA -0.145 57.846 58.000 -0.014 0.000 1.037 1036 F CB 1.919 40.962 39.000 0.072 0.000 1.288 1036 F HN 0.411 nan 8.300 nan 0.000 0.463 1037 S N 1.552 116.759 115.700 -0.821 0.000 2.759 1037 S HA 0.504 4.974 4.470 -0.000 0.000 0.310 1037 S C -0.687 173.215 174.600 -1.163 0.000 1.123 1037 S CA -0.894 56.835 58.200 -0.784 0.000 0.959 1037 S CB 1.698 64.619 63.200 -0.464 0.000 1.172 1037 S HN 0.613 nan 8.310 nan 0.000 0.539 1038 S N 1.442 116.583 115.700 -0.932 0.000 2.546 1038 S HA 0.119 4.589 4.470 -0.000 0.000 0.290 1038 S C 0.685 175.034 174.600 -0.417 0.000 1.262 1038 S CA 0.344 58.114 58.200 -0.716 0.000 1.083 1038 S CB -0.335 62.694 63.200 -0.285 0.000 0.859 1038 S HN 0.725 nan 8.310 nan 0.000 0.495 1039 K N 1.896 122.140 120.400 -0.261 0.000 3.363 1039 K HA -0.227 4.093 4.320 -0.000 0.000 0.313 1039 K C -0.110 176.391 176.600 -0.164 0.000 1.259 1039 K CA 1.521 57.744 56.287 -0.106 0.000 0.942 1039 K CB -1.685 30.787 32.500 -0.047 0.000 1.229 1039 K HN 0.806 nan 8.250 nan 0.000 0.440 1040 E N 0.667 120.633 120.200 -0.391 0.000 2.442 1040 E HA -0.040 4.310 4.350 -0.000 0.000 0.260 1040 E C 0.786 177.372 176.600 -0.022 0.000 1.148 1040 E CA 0.968 57.195 56.400 -0.289 0.000 0.976 1040 E CB 0.525 29.925 29.700 -0.501 0.000 0.967 1040 E HN 0.251 nan 8.360 nan 0.000 0.454 1041 E N 0.958 121.193 120.200 0.058 0.000 2.400 1041 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 1041 E C 0.117 176.843 176.600 0.211 0.000 1.012 1041 E CA 0.583 57.059 56.400 0.126 0.000 0.875 1041 E CB 0.531 30.268 29.700 0.061 0.000 0.859 1041 E HN 0.460 nan 8.360 nan 0.000 0.498 1042 T N 0.899 115.620 114.554 0.279 0.000 3.047 1042 T HA 0.302 4.652 4.350 -0.000 0.000 0.340 1042 T C -3.024 171.883 174.700 0.345 0.000 1.421 1042 T CA -1.619 60.636 62.100 0.258 0.000 1.090 1042 T CB 1.857 70.796 68.868 0.119 0.000 1.292 1042 T HN -0.291 nan 8.240 nan 0.000 0.480 1043 P HA 0.418 nan 4.420 nan 0.000 0.272 1043 P C -0.868 176.503 177.300 0.117 0.000 1.223 1043 P CA -0.411 62.858 63.100 0.281 0.000 0.784 1043 P CB 0.370 32.100 31.700 0.050 0.000 0.923 1044 R N 1.931 122.475 120.500 0.074 0.000 2.210 1044 R HA 0.426 4.766 4.340 -0.000 0.000 0.338 1044 R C 0.141 176.389 176.300 -0.088 0.000 1.062 1044 R CA -0.271 55.822 56.100 -0.012 0.000 0.902 1044 R CB 0.114 30.399 30.300 -0.026 0.000 1.050 1044 R HN 0.455 nan 8.270 nan 0.000 0.461 1050 P HA -0.087 nan 4.420 nan 0.000 0.217 1050 P C 1.732 178.908 177.300 -0.206 0.000 1.154 1050 P CA 1.671 64.637 63.100 -0.224 0.000 0.841 1050 P CB -0.284 31.387 31.700 -0.048 0.000 0.788 1051 W N 0.633 121.915 121.300 -0.030 0.000 2.313 1051 W HA -0.129 4.531 4.660 -0.000 0.000 0.293 1051 W C 1.063 177.585 176.519 0.004 0.000 1.216 1051 W CA 0.057 57.387 57.345 -0.025 0.000 1.223 1051 W CB -2.128 27.299 29.460 -0.054 0.000 1.138 1051 W HN -0.136 nan 8.180 nan 0.000 0.535 1052 L N 1.155 122.180 121.223 -0.331 0.000 2.309 1052 L HA -0.124 4.216 4.340 -0.000 0.000 0.225 1052 L C 2.127 179.003 176.870 0.010 0.000 1.209 1052 L CA 0.358 55.104 54.840 -0.157 0.000 0.822 1052 L CB -0.035 41.803 42.059 -0.367 0.000 1.148 1052 L HN -0.104 nan 8.230 nan 0.000 0.591 1053 E N -0.241 120.007 120.200 0.079 0.000 2.502 1053 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 1053 E C -0.493 176.146 176.600 0.065 0.000 1.062 1053 E CA 0.020 56.465 56.400 0.076 0.000 0.867 1053 E CB 0.133 29.881 29.700 0.081 0.000 0.888 1053 E HN 0.358 nan 8.360 nan 0.000 0.510 1054 Q N 1.370 121.215 119.800 0.074 0.000 2.890 1054 Q HA -0.212 4.128 4.340 -0.000 0.000 0.103 1054 Q C 0.081 176.136 176.000 0.091 0.000 1.527 1054 Q CA 0.660 56.511 55.803 0.080 0.000 0.455 1054 Q CB -0.875 27.875 28.738 0.021 0.000 0.640 1054 Q HN 0.375 nan 8.270 nan 0.000 0.319 1055 E N 2.242 122.538 120.200 0.161 0.000 3.471 1055 E HA -0.226 4.124 4.350 -0.000 0.000 0.240 1055 E C 0.442 177.047 176.600 0.008 0.000 0.916 1055 E CA 0.905 57.338 56.400 0.056 0.000 0.943 1055 E CB 0.260 30.038 29.700 0.130 0.000 0.889 1055 E HN 0.578 nan 8.360 nan 0.000 0.575 1056 E N 3.682 123.862 120.200 -0.034 0.000 2.539 1056 E HA 0.283 4.633 4.350 -0.000 0.000 0.215 1056 E C 0.102 176.672 176.600 -0.050 0.000 0.965 1056 E CA 0.685 57.067 56.400 -0.030 0.000 1.019 1056 E CB 0.524 30.210 29.700 -0.023 0.000 1.059 1056 E HN 0.521 nan 8.360 nan 0.000 0.496 1057 A N 0.321 123.088 122.820 -0.088 0.000 2.379 1057 A HA 0.040 4.360 4.320 -0.000 0.000 0.221 1057 A C -0.953 176.508 177.584 -0.206 0.000 2.885 1057 A CA -0.380 51.589 52.037 -0.113 0.000 1.616 1057 A CB -0.831 18.117 19.000 -0.087 0.000 0.175 1057 A HN 0.105 nan 8.150 nan 0.000 0.587 1058 D N 2.078 122.304 120.400 -0.291 0.000 2.338 1058 D HA 0.236 4.876 4.640 -0.000 0.000 0.255 1058 D C -0.100 175.712 176.300 -0.814 0.000 1.237 1058 D CA 0.266 53.905 54.000 -0.602 0.000 0.883 1058 D CB 0.682 41.085 40.800 -0.661 0.000 1.087 1058 D HN 0.245 nan 8.370 nan 0.000 0.485 1059 D N 2.770 122.736 120.400 -0.722 0.000 2.892 1059 D HA -0.085 4.555 4.640 -0.000 0.000 0.229 1059 D C 0.518 176.601 176.300 -0.361 0.000 1.124 1059 D CA 0.143 53.879 54.000 -0.440 0.000 1.060 1059 D CB -0.085 40.538 40.800 -0.296 0.000 1.182 1059 D HN 0.610 nan 8.370 nan 0.000 0.439 1060 W N -0.082 121.183 121.300 -0.059 0.000 3.180 1060 W HA 0.037 4.697 4.660 -0.000 0.000 0.254 1060 W C 1.824 178.335 176.519 -0.013 0.000 1.318 1060 W CA -0.672 56.641 57.345 -0.053 0.000 1.608 1060 W CB 0.252 29.679 29.460 -0.054 0.000 1.124 1060 W HN 0.068 nan 8.180 nan 0.000 0.694 1061 E N 0.577 120.857 120.200 0.133 0.000 2.153 1061 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 1061 E C 2.208 178.905 176.600 0.160 0.000 0.988 1061 E CA 1.062 57.531 56.400 0.114 0.000 0.811 1061 E CB -0.166 29.578 29.700 0.074 0.000 0.746 1061 E HN 0.171 nan 8.360 nan 0.000 0.466 1062 Q N 0.595 120.479 119.800 0.140 0.000 1.993 1062 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 1062 Q C 2.219 178.314 176.000 0.159 0.000 0.984 1062 Q CA 1.486 57.375 55.803 0.144 0.000 0.837 1062 Q CB -0.301 28.531 28.738 0.156 0.000 0.902 1062 Q HN 0.470 nan 8.270 nan 0.000 0.423 1063 Q N -0.428 119.500 119.800 0.212 0.000 2.030 1063 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 1063 Q C 2.144 178.206 176.000 0.104 0.000 0.986 1063 Q CA 1.893 57.820 55.803 0.207 0.000 0.843 1063 Q CB -0.607 28.303 28.738 0.287 0.000 0.904 1063 Q HN 0.375 nan 8.270 nan 0.000 0.420 1064 T N 0.458 115.055 114.554 0.071 0.000 2.720 1064 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 1064 T C 1.755 176.396 174.700 -0.098 0.000 1.037 1064 T CA 1.323 63.375 62.100 -0.079 0.000 1.144 1064 T CB -0.179 68.650 68.868 -0.065 0.000 0.864 1064 T HN 0.336 nan 8.240 nan 0.000 0.444 1065 H N 0.419 119.471 119.070 -0.030 0.000 2.293 1065 H HA -0.006 4.550 4.556 -0.000 0.000 0.300 1065 H C 2.450 177.755 175.328 -0.039 0.000 1.082 1065 H CA 1.945 57.978 56.048 -0.026 0.000 1.308 1065 H CB -0.481 29.274 29.762 -0.013 0.000 1.375 1065 H HN 0.417 nan 8.280 nan 0.000 0.495 1066 I N -0.024 120.599 120.570 0.089 0.000 2.208 1066 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 1066 I C 2.629 178.725 176.117 -0.034 0.000 1.097 1066 I CA 0.867 62.164 61.300 -0.004 0.000 1.363 1066 I CB -0.213 37.750 38.000 -0.061 0.000 1.051 1066 I HN 0.022 nan 8.210 nan 0.000 0.413 1067 V N 0.771 120.660 119.914 -0.042 0.000 2.379 1067 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 1067 V C 2.584 178.697 176.094 0.031 0.000 1.044 1067 V CA 2.425 64.709 62.300 -0.025 0.000 1.036 1067 V CB -0.960 30.805 31.823 -0.097 0.000 0.664 1067 V HN 0.581 nan 8.190 nan 0.000 0.453 1068 T N 0.034 114.558 114.554 -0.050 0.000 2.708 1068 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 1068 T C 1.792 176.600 174.700 0.180 0.000 1.037 1068 T CA 1.466 63.645 62.100 0.133 0.000 1.146 1068 T CB -0.300 68.596 68.868 0.048 0.000 0.865 1068 T HN 0.290 nan 8.240 nan 0.000 0.435 1069 I N 1.680 122.315 120.570 0.108 0.000 2.617 1069 I HA 0.001 4.170 4.170 -0.000 0.000 0.256 1069 I C 2.572 178.739 176.117 0.083 0.000 1.167 1069 I CA 0.952 62.313 61.300 0.102 0.000 1.469 1069 I CB -1.350 36.705 38.000 0.092 0.000 1.098 1069 I HN 0.392 nan 8.210 nan 0.000 0.436 1070 Q N 1.332 121.165 119.800 0.055 0.000 2.269 1070 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 1070 Q C 2.074 178.117 176.000 0.071 0.000 0.946 1070 Q CA 1.239 57.058 55.803 0.028 0.000 0.877 1070 Q CB 0.062 28.715 28.738 -0.141 0.000 0.963 1070 Q HN 0.441 nan 8.270 nan 0.000 0.472 1071 G N 0.542 109.388 108.800 0.077 0.000 2.464 1071 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 1071 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 1071 G C 1.188 175.767 174.900 -0.534 0.000 1.138 1071 G CA 0.349 45.315 45.100 -0.222 0.000 0.793 1071 G HN 0.333 nan 8.290 nan 0.000 0.539 1072 Q N 0.151 119.909 119.800 -0.071 0.000 2.387 1072 Q HA 0.230 4.570 4.340 -0.000 0.000 0.211 1072 Q C 1.068 177.107 176.000 0.065 0.000 0.952 1072 Q CA 0.159 55.987 55.803 0.042 0.000 0.957 1072 Q CB -0.379 28.443 28.738 0.140 0.000 1.002 1072 Q HN 0.451 nan 8.270 nan 0.000 0.502 1073 L N -0.354 120.921 121.223 0.086 0.000 3.034 1073 L HA 0.320 4.660 4.340 -0.000 0.000 0.245 1073 L C 1.069 178.027 176.870 0.146 0.000 1.295 1073 L CA 0.074 54.977 54.840 0.104 0.000 1.068 1073 L CB -0.105 42.026 42.059 0.120 0.000 1.426 1073 L HN 0.179 nan 8.230 nan 0.000 0.531 1074 S N -1.296 114.510 115.700 0.178 0.000 2.591 1074 S HA -0.009 4.461 4.470 -0.000 0.000 0.235 1074 S C 1.375 176.055 174.600 0.134 0.000 1.074 1074 S CA -0.135 58.196 58.200 0.219 0.000 0.925 1074 S CB -0.058 63.256 63.200 0.190 0.000 0.818 1074 S HN 0.492 nan 8.310 nan 0.000 0.535 1075 E N 1.115 121.385 120.200 0.118 0.000 2.478 1075 E HA 0.075 4.425 4.350 -0.000 0.000 0.198 1075 E C 1.475 178.120 176.600 0.075 0.000 1.046 1075 E CA 0.370 56.832 56.400 0.103 0.000 0.870 1075 E CB -0.083 29.687 29.700 0.116 0.000 0.818 1075 E HN 0.406 nan 8.360 nan 0.000 0.527 1076 R N 0.156 120.692 120.500 0.059 0.000 2.668 1076 R HA 0.247 4.587 4.340 -0.000 0.000 0.435 1076 R C 0.302 176.598 176.300 -0.007 0.000 1.059 1076 R CA 0.083 56.197 56.100 0.023 0.000 1.073 1076 R CB 0.214 30.524 30.300 0.017 0.000 1.401 1076 R HN 0.070 nan 8.270 nan 0.000 0.590 1077 N N -1.355 117.350 118.700 0.009 0.000 2.072 1077 N HA 0.041 4.781 4.740 -0.000 0.000 0.246 1077 N C 0.922 176.444 175.510 0.021 0.000 1.215 1077 N CA -0.039 52.992 53.050 -0.031 0.000 0.799 1077 N CB 0.705 39.146 38.487 -0.076 0.000 1.407 1077 N HN 0.061 nan 8.380 nan 0.000 0.489 1078 L N 1.618 122.893 121.223 0.087 0.000 2.062 1078 L HA 0.097 4.437 4.340 -0.000 0.000 0.202 1078 L C 2.301 179.251 176.870 0.132 0.000 1.079 1078 L CA 0.867 55.794 54.840 0.146 0.000 0.755 1078 L CB -0.158 41.992 42.059 0.152 0.000 0.913 1078 L HN 0.127 nan 8.230 nan 0.000 0.445 1079 M N -0.492 119.174 119.600 0.110 0.000 2.113 1079 M HA -0.281 4.199 4.480 -0.000 0.000 0.255 1079 M C 2.134 178.495 176.300 0.102 0.000 1.073 1079 M CA 2.671 58.036 55.300 0.109 0.000 1.091 1079 M CB -1.272 31.380 32.600 0.087 0.000 1.309 1079 M HN 0.450 nan 8.290 nan 0.000 0.407 1080 T N -1.057 113.523 114.554 0.043 0.000 3.118 1080 T HA 0.038 4.387 4.350 -0.000 0.000 0.260 1080 T C 1.557 176.267 174.700 0.017 0.000 1.139 1080 T CA 0.490 62.594 62.100 0.007 0.000 1.085 1080 T CB -0.125 68.698 68.868 -0.075 0.000 0.934 1080 T HN 0.385 nan 8.240 nan 0.000 0.518 1081 L N 0.308 121.531 121.223 -0.001 0.000 2.416 1081 L HA 0.304 4.644 4.340 -0.000 0.000 0.216 1081 L C 2.503 179.301 176.870 -0.120 0.000 1.098 1081 L CA 0.430 55.200 54.840 -0.117 0.000 0.840 1081 L CB 0.094 42.082 42.059 -0.117 0.000 0.981 1081 L HN 0.309 nan 8.230 nan 0.000 0.462 1082 V N -1.627 118.324 119.914 0.062 0.000 2.951 1082 V HA -0.185 3.935 4.120 -0.000 0.000 0.255 1082 V C 2.255 178.398 176.094 0.081 0.000 1.088 1082 V CA 1.145 63.491 62.300 0.077 0.000 1.109 1082 V CB -0.456 31.452 31.823 0.142 0.000 0.724 1082 V HN 0.515 nan 8.190 nan 0.000 0.471 1083 H N -0.744 118.334 119.070 0.014 0.000 2.343 1083 H HA -0.099 4.457 4.556 -0.000 0.000 0.303 1083 H C 2.027 177.343 175.328 -0.020 0.000 1.068 1083 H CA 2.063 58.115 56.048 0.006 0.000 1.359 1083 H CB -0.282 29.488 29.762 0.013 0.000 1.402 1083 H HN 0.514 nan 8.280 nan 0.000 0.515 1084 F N 1.147 121.124 119.950 0.045 0.000 2.010 1084 F HA -0.301 4.226 4.527 -0.000 0.000 0.296 1084 F C 2.161 177.860 175.800 -0.168 0.000 1.146 1084 F CA 1.841 59.771 58.000 -0.117 0.000 1.181 1084 F CB -1.004 37.779 39.000 -0.361 0.000 0.965 1084 F HN 0.058 nan 8.300 nan 0.000 0.480 1085 Y N 0.607 120.898 120.300 -0.016 0.000 2.384 1085 Y HA -0.205 4.345 4.550 -0.000 0.000 0.289 1085 Y C 1.384 177.190 175.900 -0.157 0.000 1.152 1085 Y CA 1.345 59.380 58.100 -0.110 0.000 1.258 1085 Y CB -1.358 37.022 38.460 -0.134 0.000 0.979 1085 Y HN 0.356 nan 8.280 nan 0.000 0.549 1086 N N 0.151 118.834 118.700 -0.028 0.000 2.725 1086 N HA -0.204 4.536 4.740 -0.000 0.000 0.251 1086 N C -0.461 175.043 175.510 -0.008 0.000 1.031 1086 N CA 0.271 53.273 53.050 -0.080 0.000 0.720 1086 N CB -0.308 38.094 38.487 -0.141 0.000 0.930 1086 N HN 0.118 nan 8.380 nan 0.000 0.543 1087 K N 0.389 120.805 120.400 0.026 0.000 2.627 1087 K HA 0.111 4.431 4.320 -0.000 0.000 0.212 1087 K C 0.186 176.861 176.600 0.124 0.000 1.041 1087 K CA 0.072 56.401 56.287 0.069 0.000 1.205 1087 K CB 0.142 32.657 32.500 0.025 0.000 0.936 1087 K HN 0.328 nan 8.250 nan 0.000 0.489 1088 S N 1.398 117.135 115.700 0.062 0.000 3.396 1088 S HA -0.165 4.305 4.470 -0.000 0.000 0.762 1088 S C 0.475 175.154 174.600 0.131 0.000 0.923 1088 S CA 0.189 58.429 58.200 0.067 0.000 1.297 1088 S CB -0.617 62.621 63.200 0.063 0.000 1.259 1088 S HN 0.457 nan 8.310 nan 0.000 0.527 1089 M N 2.829 122.490 119.600 0.102 0.000 3.722 1089 M HA 0.057 4.537 4.480 -0.000 0.000 0.183 1089 M C 0.947 177.321 176.300 0.122 0.000 1.485 1089 M CA 0.208 55.593 55.300 0.143 0.000 1.685 1089 M CB -0.699 31.970 32.600 0.115 0.000 1.198 1089 M HN 0.614 nan 8.290 nan 0.000 0.494 1090 D N -1.870 118.602 120.400 0.120 0.000 2.531 1090 D HA 0.104 4.744 4.640 -0.000 0.000 0.263 1090 D C 0.221 176.552 176.300 0.051 0.000 1.057 1090 D CA 0.270 54.316 54.000 0.076 0.000 0.909 1090 D CB 0.121 40.957 40.800 0.059 0.000 1.236 1090 D HN 0.155 nan 8.370 nan 0.000 0.494 1091 D N 0.241 120.666 120.400 0.042 0.000 2.451 1091 D HA 0.349 4.989 4.640 -0.000 0.000 0.259 1091 D C -0.594 175.600 176.300 -0.177 0.000 1.201 1091 D CA -0.326 53.624 54.000 -0.084 0.000 1.028 1091 D CB 1.448 42.157 40.800 -0.153 0.000 1.095 1091 D HN -0.073 nan 8.370 nan 0.000 0.539 1092 S N -0.706 114.828 115.700 -0.276 0.000 2.541 1092 S HA 0.385 4.855 4.470 -0.000 0.000 0.283 1092 S C -0.965 173.335 174.600 -0.499 0.000 1.196 1092 S CA -0.544 57.510 58.200 -0.244 0.000 1.062 1092 S CB 0.229 63.361 63.200 -0.114 0.000 1.009 1092 S HN 0.297 nan 8.310 nan 0.000 0.502 1093 H N 0.892 119.925 119.070 -0.062 0.000 2.894 1093 H HA 0.540 5.095 4.556 -0.000 0.000 0.368 1093 H C -0.220 175.011 175.328 -0.161 0.000 1.181 1093 H CA -0.646 55.320 56.048 -0.136 0.000 1.146 1093 H CB 1.832 31.529 29.762 -0.109 0.000 1.839 1093 H HN 0.653 nan 8.280 nan 0.000 0.557 1094 T N -0.002 114.492 114.554 -0.099 0.000 2.900 1094 T HA 0.544 4.894 4.350 -0.000 0.000 0.295 1094 T C -1.214 173.466 174.700 -0.035 0.000 1.044 1094 T CA -0.825 61.229 62.100 -0.077 0.000 0.995 1094 T CB 1.704 70.522 68.868 -0.083 0.000 1.072 1094 T HN 0.326 nan 8.240 nan 0.000 0.473 1095 L N 2.234 123.509 121.223 0.086 0.000 2.381 1095 L HA 0.724 5.064 4.340 -0.000 0.000 0.268 1095 L C -1.230 175.788 176.870 0.247 0.000 0.997 1095 L CA -0.301 54.650 54.840 0.185 0.000 0.818 1095 L CB 2.161 44.374 42.059 0.257 0.000 1.310 1095 L HN 0.862 nan 8.230 nan 0.000 0.416 1096 Q N 4.127 124.085 119.800 0.263 0.000 2.292 1096 Q HA 0.334 4.674 4.340 -0.000 0.000 0.270 1096 Q C -1.819 174.418 176.000 0.396 0.000 1.024 1096 Q CA -0.315 55.703 55.803 0.359 0.000 0.768 1096 Q CB 2.010 30.903 28.738 0.260 0.000 1.250 1096 Q HN 0.582 nan 8.270 nan 0.000 0.447 1097 W N 4.585 126.048 121.300 0.271 0.000 2.438 1097 W HA 0.721 5.381 4.660 -0.000 0.000 0.324 1097 W C -1.827 174.736 176.519 0.073 0.000 1.119 1097 W CA -1.487 55.882 57.345 0.040 0.000 1.221 1097 W CB 0.941 30.198 29.460 -0.338 0.000 1.253 1097 W HN 0.645 nan 8.180 nan 0.000 0.555 1098 L N 6.130 127.563 121.223 0.349 0.000 2.505 1098 L HA 0.364 4.704 4.340 -0.000 0.000 0.266 1098 L C -0.548 176.262 176.870 -0.099 0.000 0.954 1098 L CA -0.221 54.599 54.840 -0.033 0.000 0.852 1098 L CB 1.531 43.519 42.059 -0.118 0.000 1.282 1098 L HN 0.667 nan 8.230 nan 0.000 0.403 1099 Q N 2.544 122.171 119.800 -0.288 0.000 3.353 1099 Q HA 0.939 5.279 4.340 -0.000 0.000 0.302 1099 Q C -0.702 175.032 176.000 -0.443 0.000 0.991 1099 Q CA -0.485 55.049 55.803 -0.449 0.000 0.827 1099 Q CB 0.943 29.419 28.738 -0.438 0.000 1.694 1099 Q HN 0.899 nan 8.270 nan 0.000 0.458 1100 D N -1.174 118.850 120.400 -0.628 0.000 10.413 1100 D HA 0.153 4.793 4.640 -0.000 0.000 0.334 1100 D C -0.657 175.663 176.300 0.033 0.000 3.152 1100 D CA -0.348 53.589 54.000 -0.105 0.000 2.664 1100 D CB -1.594 nan 40.800 nan 0.000 1.293 1100 D HN 1.169 nan 8.370 nan 0.000 0.957 1101 c N -1.593 117.168 118.600 0.268 0.000 3.307 1101 c HA 0.968 5.538 4.570 -0.000 0.000 0.350 1101 c C -1.449 172.796 174.090 0.258 0.000 1.549 1101 c CA -0.485 56.104 56.329 0.434 0.000 1.396 1101 c CB 2.027 44.858 42.510 0.535 0.000 1.970 1101 c HN 0.856 nan 8.230 nan 0.000 0.441 1102 D N 1.393 121.996 120.400 0.338 0.000 2.405 1102 D HA 0.457 5.097 4.640 -0.000 0.000 0.264 1102 D C 0.058 176.484 176.300 0.209 0.000 1.240 1102 D CA 0.117 54.252 54.000 0.225 0.000 0.893 1102 D CB 1.542 42.462 40.800 0.200 0.000 1.198 1102 D HN 0.527 nan 8.370 nan 0.000 0.514 1103 V N -0.046 119.994 119.914 0.209 0.000 3.513 1103 V HA 0.650 4.770 4.120 -0.000 0.000 0.297 1103 V C 0.506 176.693 176.094 0.156 0.000 1.058 1103 V CA -0.487 61.925 62.300 0.186 0.000 1.003 1103 V CB 1.681 33.624 31.823 0.200 0.000 1.236 1103 V HN 0.316 nan 8.190 nan 0.000 0.436 1104 E N -0.020 120.270 120.200 0.150 0.000 3.939 1104 E HA 0.139 4.489 4.350 -0.000 0.000 0.383 1104 E C -2.668 174.014 176.600 0.137 0.000 1.054 1104 E CA -0.607 55.872 56.400 0.131 0.000 0.820 1104 E CB 2.063 31.812 29.700 0.080 0.000 1.254 1104 E HN 0.386 nan 8.360 nan 0.000 0.517 1105 P HA -0.011 nan 4.420 nan 0.000 0.211 1105 P C 0.932 178.279 177.300 0.079 0.000 1.191 1105 P CA 0.661 63.822 63.100 0.102 0.000 0.909 1105 P CB 0.362 32.102 31.700 0.067 0.000 0.770 1106 D N -1.101 119.335 120.400 0.060 0.000 2.228 1106 D HA -0.167 4.473 4.640 -0.000 0.000 0.203 1106 D C 1.978 178.319 176.300 0.067 0.000 0.988 1106 D CA 0.873 54.900 54.000 0.044 0.000 0.864 1106 D CB -0.229 40.597 40.800 0.042 0.000 0.928 1106 D HN -0.071 nan 8.370 nan 0.000 0.469 1107 R N -0.043 120.509 120.500 0.088 0.000 2.246 1107 R HA -0.000 4.340 4.340 -0.000 0.000 0.199 1107 R C -0.295 176.103 176.300 0.163 0.000 0.984 1107 R CA 0.100 56.257 56.100 0.094 0.000 1.015 1107 R CB -0.474 29.864 30.300 0.064 0.000 0.930 1107 R HN 0.440 nan 8.270 nan 0.000 0.475 1108 H N -0.320 118.771 119.070 0.036 0.000 3.481 1108 H HA -0.232 4.324 4.556 -0.000 0.000 0.291 1108 H C -1.548 173.803 175.328 0.039 0.000 0.790 1108 H CA 0.387 56.457 56.048 0.037 0.000 0.877 1108 H CB -0.257 29.522 29.762 0.029 0.000 1.460 1108 H HN 0.016 nan 8.280 nan 0.000 0.317 1109 L N 3.623 124.881 121.223 0.058 0.000 4.283 1109 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 1109 L C -0.800 176.107 176.870 0.060 0.000 1.034 1109 L CA -0.257 54.568 54.840 -0.024 0.000 0.996 1109 L CB 0.273 42.328 42.059 -0.008 0.000 1.535 1109 L HN 0.677 nan 8.230 nan 0.000 0.384 1110 c N 1.996 120.627 118.600 0.053 0.000 2.967 1110 c HA 0.997 5.567 4.570 -0.000 0.000 0.372 1110 c C -1.088 173.070 174.090 0.114 0.000 1.455 1110 c CA -0.661 55.736 56.329 0.112 0.000 1.638 1110 c CB 1.756 44.336 42.510 0.116 0.000 2.096 1110 c HN 0.804 nan 8.230 nan 0.000 0.466 1111 L N 1.959 123.288 121.223 0.178 0.000 3.111 1111 L HA 0.338 4.678 4.340 -0.000 0.000 0.259 1111 L C -1.252 175.758 176.870 0.235 0.000 0.946 1111 L CA -0.043 54.867 54.840 0.117 0.000 1.119 1111 L CB 0.857 42.975 42.059 0.099 0.000 1.698 1111 L HN 0.851 nan 8.230 nan 0.000 0.540 1112 W N 4.938 126.182 121.300 -0.093 0.000 2.496 1112 W HA 0.581 5.241 4.660 -0.000 0.000 0.327 1112 W C -1.526 174.893 176.519 -0.167 0.000 1.086 1112 W CA -0.427 56.930 57.345 0.020 0.000 1.222 1112 W CB 1.538 31.024 29.460 0.043 0.000 1.304 1112 W HN 0.448 nan 8.180 nan 0.000 0.547 1113 Y N 3.392 123.136 120.300 -0.926 0.000 2.446 1113 Y HA 0.311 4.861 4.550 -0.000 0.000 0.345 1113 Y C -0.308 175.040 175.900 -0.920 0.000 0.984 1113 Y CA -1.226 56.452 58.100 -0.703 0.000 1.058 1113 Y CB 2.101 40.301 38.460 -0.433 0.000 1.220 1113 Y HN 0.488 nan 8.280 nan 0.000 0.455 1114 N N 1.704 120.244 118.700 -0.268 0.000 3.466 1114 N HA 0.296 5.036 4.740 -0.000 0.000 0.217 1114 N C -2.222 173.302 175.510 0.024 0.000 1.265 1114 N CA -0.451 52.559 53.050 -0.066 0.000 0.887 1114 N CB 0.611 39.139 38.487 0.069 0.000 1.626 1114 N HN 0.676 nan 8.380 nan 0.000 0.700 1115 Q N 1.713 121.551 119.800 0.063 0.000 2.389 1115 Q HA 0.675 5.015 4.340 -0.000 0.000 0.277 1115 Q C -1.472 174.561 176.000 0.055 0.000 1.082 1115 Q CA -0.787 55.035 55.803 0.032 0.000 0.810 1115 Q CB 2.698 31.454 28.738 0.030 0.000 1.374 1115 Q HN 0.327 nan 8.270 nan 0.000 0.422 1116 L N 0.875 122.090 121.223 -0.012 0.000 2.341 1116 L HA 0.960 5.300 4.340 -0.000 0.000 0.267 1116 L C -1.108 175.795 176.870 0.054 0.000 1.009 1116 L CA -0.562 54.278 54.840 -0.001 0.000 0.819 1116 L CB 2.327 44.293 42.059 -0.155 0.000 1.323 1116 L HN 0.818 nan 8.230 nan 0.000 0.425 1117 A N 1.560 124.445 122.820 0.108 0.000 2.374 1117 A HA 0.602 4.922 4.320 -0.000 0.000 0.305 1117 A C -1.958 175.733 177.584 0.178 0.000 1.053 1117 A CA -0.416 51.698 52.037 0.128 0.000 0.726 1117 A CB 0.867 19.930 19.000 0.104 0.000 1.229 1117 A HN 0.577 nan 8.150 nan 0.000 0.431 1118 Y N 2.270 122.610 120.300 0.066 0.000 2.369 1118 Y HA 0.415 4.965 4.550 -0.000 0.000 0.337 1118 Y C 0.085 176.002 175.900 0.028 0.000 0.961 1118 Y CA -0.334 57.808 58.100 0.071 0.000 1.186 1118 Y CB 0.659 39.200 38.460 0.135 0.000 1.139 1118 Y HN 0.884 nan 8.280 nan 0.000 0.494 1119 D N 3.845 123.973 120.400 -0.454 0.000 2.870 1119 D HA -0.258 4.382 4.640 -0.000 0.000 0.228 1119 D C 0.232 176.446 176.300 -0.143 0.000 1.147 1119 D CA 1.803 55.583 54.000 -0.366 0.000 0.757 1119 D CB -1.382 39.097 40.800 -0.535 0.000 1.091 1119 D HN 0.645 nan 8.370 nan 0.000 0.429 1120 S N -1.206 114.460 115.700 -0.057 0.000 3.931 1120 S HA -0.212 4.258 4.470 -0.000 0.000 0.318 1120 S C -0.522 174.087 174.600 0.015 0.000 1.098 1120 S CA 1.243 59.442 58.200 -0.002 0.000 0.900 1120 S CB -1.118 62.076 63.200 -0.009 0.000 0.886 1120 S HN 0.535 nan 8.310 nan 0.000 0.513 1121 E N 0.317 120.542 120.200 0.041 0.000 2.278 1121 E HA 0.424 4.774 4.350 -0.000 0.000 0.272 1121 E C -1.342 175.310 176.600 0.087 0.000 0.890 1121 E CA -1.144 55.291 56.400 0.058 0.000 0.770 1121 E CB 0.800 30.531 29.700 0.052 0.000 1.212 1121 E HN 0.265 nan 8.360 nan 0.000 0.415 1122 D N 2.470 122.911 120.400 0.068 0.000 2.434 1122 D HA 0.066 4.706 4.640 -0.000 0.000 0.252 1122 D C -0.559 175.782 176.300 0.067 0.000 1.185 1122 D CA 0.548 54.585 54.000 0.062 0.000 0.886 1122 D CB 0.588 41.414 40.800 0.043 0.000 1.148 1122 D HN 0.206 nan 8.370 nan 0.000 0.483 1123 L N 4.889 126.147 121.223 0.059 0.000 2.322 1123 L HA 0.429 4.769 4.340 -0.000 0.000 0.279 1123 L C -1.821 175.040 176.870 -0.016 0.000 1.036 1123 L CA -1.955 52.906 54.840 0.035 0.000 0.807 1123 L CB 1.427 43.504 42.059 0.030 0.000 1.226 1123 L HN 0.273 nan 8.230 nan 0.000 0.433 1124 P HA 0.060 nan 4.420 nan 0.000 0.267 1124 P C 0.151 177.404 177.300 -0.078 0.000 1.205 1124 P CA -0.085 62.985 63.100 -0.050 0.000 0.765 1124 P CB 1.031 32.699 31.700 -0.054 0.000 0.828 1125 T N -0.989 113.528 114.554 -0.062 0.000 2.975 1125 T HA 0.083 4.433 4.350 -0.000 0.000 0.257 1125 T C 0.535 175.207 174.700 -0.046 0.000 1.003 1125 T CA -0.283 61.774 62.100 -0.071 0.000 0.932 1125 T CB -0.210 68.623 68.868 -0.059 0.000 1.087 1125 T HN 0.148 nan 8.240 nan 0.000 0.512 1126 L N 1.698 122.900 121.223 -0.035 0.000 3.460 1126 L HA -0.117 4.223 4.340 -0.000 0.000 0.626 1126 L C 0.597 177.464 176.870 -0.005 0.000 1.036 1126 L CA 0.779 55.605 54.840 -0.023 0.000 1.167 1126 L CB -3.192 38.847 42.059 -0.032 0.000 1.331 1126 L HN 0.578 nan 8.230 nan 0.000 0.754 1127 S N -1.037 114.666 115.700 0.005 0.000 2.298 1127 S HA 0.177 4.647 4.470 -0.000 0.000 0.249 1127 S C 0.421 175.032 174.600 0.018 0.000 0.952 1127 S CA 0.734 58.951 58.200 0.028 0.000 1.557 1127 S CB 0.366 63.607 63.200 0.069 0.000 1.218 1127 S HN 0.848 nan 8.310 nan 0.000 0.613 1128 E N 0.424 120.623 120.200 -0.002 0.000 3.714 1128 E HA -0.202 4.148 4.350 -0.000 0.000 0.224 1128 E C -0.770 175.806 176.600 -0.041 0.000 1.347 1128 E CA 0.992 57.381 56.400 -0.018 0.000 2.058 1128 E CB -1.390 28.300 29.700 -0.016 0.000 2.056 1128 E HN 0.346 nan 8.360 nan 0.000 0.544 1129 N N -0.678 117.981 118.700 -0.069 0.000 2.690 1129 N HA 0.219 4.959 4.740 -0.000 0.000 0.262 1129 N C -2.025 173.357 175.510 -0.213 0.000 0.936 1129 N CA 0.986 53.953 53.050 -0.138 0.000 0.990 1129 N CB -0.376 38.053 38.487 -0.096 0.000 1.677 1129 N HN 0.174 nan 8.380 nan 0.000 0.826 1130 P HA 0.065 nan 4.420 nan 0.000 0.239 1130 P C -0.506 176.738 177.300 -0.092 0.000 1.184 1130 P CA 0.468 63.491 63.100 -0.128 0.000 0.760 1130 P CB -0.499 31.162 31.700 -0.065 0.000 0.884 1131 S N -0.331 115.328 115.700 -0.068 0.000 2.808 1131 S HA 0.084 4.554 4.470 -0.000 0.000 0.342 1131 S C 0.921 175.535 174.600 0.023 0.000 1.154 1131 S CA -0.286 57.909 58.200 -0.009 0.000 1.476 1131 S CB -1.142 62.076 63.200 0.029 0.000 1.290 1131 S HN 0.310 nan 8.310 nan 0.000 0.582 1132 S N 3.159 118.867 115.700 0.014 0.000 2.700 1132 S HA 0.360 4.830 4.470 -0.000 0.000 0.250 1132 S C 0.812 175.461 174.600 0.082 0.000 1.355 1132 S CA -0.042 58.185 58.200 0.046 0.000 0.970 1132 S CB -0.854 62.355 63.200 0.015 0.000 0.975 1132 S HN 1.413 nan 8.310 nan 0.000 0.563 1133 c N -2.442 116.203 118.600 0.075 0.000 3.254 1133 c HA 0.769 5.339 4.570 -0.000 0.000 0.374 1133 c C 0.612 174.727 174.090 0.042 0.000 1.710 1133 c CA -0.361 56.000 56.329 0.054 0.000 1.149 1133 c CB 0.435 43.001 42.510 0.094 0.000 2.019 1133 c HN 1.155 nan 8.230 nan 0.000 0.427 1159 H N 0.808 119.762 119.070 -0.193 0.000 3.275 1159 H HA 0.119 4.675 4.556 -0.000 0.000 0.326 1159 H C 0.061 175.234 175.328 -0.258 0.000 1.096 1159 H CA -0.283 55.645 56.048 -0.199 0.000 1.579 1159 H CB 1.526 31.172 29.762 -0.194 0.000 1.834 1159 H HN 0.308 nan 8.280 nan 0.000 0.510 1160 L N 3.347 124.425 121.223 -0.241 0.000 2.456 1160 L HA 0.009 4.349 4.340 -0.000 0.000 0.224 1160 L C 1.694 178.391 176.870 -0.289 0.000 1.148 1160 L CA 1.734 56.450 54.840 -0.206 0.000 0.825 1160 L CB -0.235 41.702 42.059 -0.204 0.000 0.937 1160 L HN 0.577 nan 8.230 nan 0.000 0.450 1161 E N -0.619 119.291 120.200 -0.484 0.000 2.511 1161 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 1161 E C 1.692 178.008 176.600 -0.472 0.000 1.066 1161 E CA 0.602 56.379 56.400 -1.038 0.000 0.871 1161 E CB -0.091 28.850 29.700 -1.264 0.000 0.863 1161 E HN 0.638 nan 8.360 nan 0.000 0.520 1162 G N -1.148 107.541 108.800 -0.186 0.000 2.944 1162 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.220 1162 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.220 1162 G C 0.744 175.761 174.900 0.196 0.000 1.100 1162 G CA -0.215 44.866 45.100 -0.032 0.000 0.780 1162 G HN 0.200 nan 8.290 nan 0.000 0.539 1163 H N -0.922 118.120 119.070 -0.047 0.000 2.672 1163 H HA 0.281 4.837 4.556 -0.000 0.000 0.277 1163 H C 1.877 177.248 175.328 0.071 0.000 1.074 1163 H CA -1.152 54.903 56.048 0.011 0.000 1.173 1163 H CB -0.197 29.571 29.762 0.011 0.000 1.558 1163 H HN 0.236 nan 8.280 nan 0.000 0.539 1164 c N 0.556 119.268 118.600 0.186 0.000 2.437 1164 c HA -0.214 4.356 4.570 -0.000 0.000 0.284 1164 c C 2.823 177.058 174.090 0.242 0.000 1.208 1164 c CA 2.083 58.566 56.329 0.256 0.000 1.764 1164 c CB -0.911 41.787 42.510 0.314 0.000 2.039 1164 c HN 0.694 nan 8.230 nan 0.000 0.444 1165 S N 1.518 117.337 115.700 0.200 0.000 2.400 1165 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 1165 S C 1.017 175.699 174.600 0.136 0.000 1.025 1165 S CA 2.071 60.378 58.200 0.178 0.000 0.993 1165 S CB -0.831 62.460 63.200 0.150 0.000 0.808 1165 S HN 0.773 nan 8.310 nan 0.000 0.478 1166 D N 1.997 122.446 120.400 0.081 0.000 2.075 1166 D HA -0.035 4.605 4.640 -0.000 0.000 0.196 1166 D C 1.976 178.303 176.300 0.045 0.000 0.985 1166 D CA 0.759 54.759 54.000 0.001 0.000 0.834 1166 D CB -0.999 39.700 40.800 -0.169 0.000 0.987 1166 D HN 0.241 nan 8.370 nan 0.000 0.452 1167 V N 0.471 120.442 119.914 0.095 0.000 2.469 1167 V HA -0.189 3.931 4.120 -0.000 0.000 0.251 1167 V C 2.230 178.454 176.094 0.218 0.000 1.064 1167 V CA 1.063 63.459 62.300 0.159 0.000 1.066 1167 V CB -0.361 31.608 31.823 0.243 0.000 0.667 1167 V HN 0.138 nan 8.190 nan 0.000 0.461 1168 L N -0.011 121.365 121.223 0.255 0.000 2.027 1168 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 1168 L C 2.364 179.382 176.870 0.247 0.000 1.074 1168 L CA 2.127 57.149 54.840 0.302 0.000 0.745 1168 L CB -0.924 41.304 42.059 0.282 0.000 0.898 1168 L HN 0.403 nan 8.230 nan 0.000 0.433 1169 Q N -0.777 119.129 119.800 0.177 0.000 2.515 1169 Q HA -0.213 4.127 4.340 -0.000 0.000 0.212 1169 Q C 1.910 177.982 176.000 0.119 0.000 0.970 1169 Q CA 0.968 56.852 55.803 0.135 0.000 0.941 1169 Q CB 0.169 28.967 28.738 0.099 0.000 0.998 1169 Q HN 0.566 nan 8.270 nan 0.000 0.518 1170 K N -1.109 119.377 120.400 0.142 0.000 2.141 1170 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 1170 K C 1.448 178.219 176.600 0.286 0.000 1.045 1170 K CA 0.465 56.825 56.287 0.122 0.000 0.971 1170 K CB -0.091 32.411 32.500 0.003 0.000 0.795 1170 K HN 0.053 nan 8.250 nan 0.000 0.459 1171 Y N 1.776 122.286 120.300 0.350 0.000 2.128 1171 Y HA -0.165 4.385 4.550 -0.000 0.000 0.284 1171 Y C 1.848 177.853 175.900 0.176 0.000 1.154 1171 Y CA 1.269 59.539 58.100 0.283 0.000 1.149 1171 Y CB -0.374 38.166 38.460 0.134 0.000 0.976 1171 Y HN 0.032 nan 8.280 nan 0.000 0.505 1172 L N -0.471 120.927 121.223 0.291 0.000 2.265 1172 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 1172 L C 2.171 179.125 176.870 0.141 0.000 1.117 1172 L CA 1.329 56.252 54.840 0.140 0.000 0.782 1172 L CB -0.320 41.750 42.059 0.017 0.000 0.914 1172 L HN 0.273 nan 8.230 nan 0.000 0.441 1173 E N -0.515 119.784 120.200 0.165 0.000 2.400 1173 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 1173 E C 1.681 178.370 176.600 0.149 0.000 1.012 1173 E CA 0.189 56.666 56.400 0.128 0.000 0.875 1173 E CB 0.464 30.219 29.700 0.092 0.000 0.859 1173 E HN 0.317 nan 8.360 nan 0.000 0.498 1174 K N -0.580 119.954 120.400 0.224 0.000 2.242 1174 K HA 0.078 4.398 4.320 -0.000 0.000 0.200 1174 K C 1.312 178.043 176.600 0.220 0.000 1.050 1174 K CA 0.627 57.053 56.287 0.232 0.000 0.981 1174 K CB 0.341 33.068 32.500 0.378 0.000 0.795 1174 K HN 0.004 nan 8.250 nan 0.000 0.477 1175 G N 2.327 111.292 108.800 0.275 0.000 4.951 1175 G HA2 0.142 4.102 3.960 -0.000 0.000 0.282 1175 G HA3 0.142 4.102 3.960 -0.000 0.000 0.282 1175 G C 0.193 175.258 174.900 0.275 0.000 1.301 1175 G CA -0.524 44.810 45.100 0.390 0.000 0.975 1175 G HN 0.166 nan 8.290 nan 0.000 0.589 1176 K N -0.350 120.154 120.400 0.175 0.000 2.555 1176 K HA 0.096 4.416 4.320 -0.000 0.000 0.193 1176 K C 1.429 178.076 176.600 0.078 0.000 1.032 1176 K CA 0.676 57.029 56.287 0.110 0.000 1.004 1176 K CB 0.588 33.143 32.500 0.090 0.000 0.804 1176 K HN 0.270 nan 8.250 nan 0.000 0.496 1177 E N 0.961 121.208 120.200 0.077 0.000 2.190 1177 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 1177 E C 1.721 178.276 176.600 -0.076 0.000 0.978 1177 E CA 0.614 57.025 56.400 0.018 0.000 0.839 1177 E CB 0.375 30.093 29.700 0.030 0.000 0.787 1177 E HN 0.239 nan 8.360 nan 0.000 0.473 1178 R N -0.204 120.195 120.500 -0.169 0.000 2.087 1178 R HA 0.153 4.493 4.340 -0.000 0.000 0.216 1178 R C 2.367 178.496 176.300 -0.284 0.000 1.114 1178 R CA 0.346 56.189 56.100 -0.429 0.000 1.002 1178 R CB -0.560 29.151 30.300 -0.982 0.000 0.903 1178 R HN 0.161 nan 8.270 nan 0.000 0.445 1179 L N 1.199 122.359 121.223 -0.105 0.000 1.932 1179 L HA -0.152 4.188 4.340 -0.000 0.000 0.217 1179 L C 0.944 177.879 176.870 0.109 0.000 1.077 1179 L CA 1.108 55.975 54.840 0.045 0.000 0.765 1179 L CB -0.606 41.503 42.059 0.083 0.000 0.888 1179 L HN 0.067 nan 8.230 nan 0.000 0.433 1180 L N 1.131 122.396 121.223 0.070 0.000 2.436 1180 L HA 0.090 4.430 4.340 -0.000 0.000 0.244 1180 L C -0.059 176.878 176.870 0.112 0.000 1.396 1180 L CA 0.822 55.723 54.840 0.103 0.000 1.217 1180 L CB -1.085 41.020 42.059 0.077 0.000 1.420 1180 L HN 0.157 nan 8.230 nan 0.000 0.434 1181 R N -0.179 120.418 120.500 0.162 0.000 2.515 1181 R HA 0.487 4.827 4.340 -0.000 0.000 0.278 1181 R C -1.151 175.320 176.300 0.284 0.000 1.107 1181 R CA -0.208 55.984 56.100 0.154 0.000 0.945 1181 R CB 1.470 31.796 30.300 0.043 0.000 1.219 1181 R HN 0.117 nan 8.270 nan 0.000 0.434 1182 S N 3.240 119.078 115.700 0.230 0.000 2.532 1182 S HA 0.306 4.776 4.470 -0.000 0.000 0.318 1182 S C -1.064 173.708 174.600 0.286 0.000 1.083 1182 S CA -0.779 57.588 58.200 0.279 0.000 1.131 1182 S CB 0.740 64.045 63.200 0.175 0.000 0.973 1182 S HN 0.449 nan 8.310 nan 0.000 0.468 1183 D N 5.336 125.949 120.400 0.354 0.000 2.316 1183 D HA 0.231 4.871 4.640 -0.000 0.000 0.245 1183 D C -2.150 174.271 176.300 0.201 0.000 1.171 1183 D CA -1.395 52.750 54.000 0.242 0.000 0.856 1183 D CB 1.373 42.300 40.800 0.212 0.000 1.090 1183 D HN 0.224 nan 8.370 nan 0.000 0.476 1184 P HA 0.218 nan 4.420 nan 0.000 0.274 1184 P C -2.764 174.576 177.300 0.067 0.000 1.237 1184 P CA -1.425 61.747 63.100 0.120 0.000 0.793 1184 P CB 0.225 31.997 31.700 0.119 0.000 0.977 1185 P HA 0.268 nan 4.420 nan 0.000 0.284 1185 P C -0.782 176.566 177.300 0.080 0.000 1.258 1185 P CA -0.415 62.718 63.100 0.055 0.000 0.824 1185 P CB 0.603 32.212 31.700 -0.152 0.000 1.038 1186 K N 1.363 121.846 120.400 0.139 0.000 2.389 1186 K HA 0.723 5.043 4.320 -0.000 0.000 0.261 1186 K C -0.446 176.279 176.600 0.208 0.000 1.014 1186 K CA -0.639 55.736 56.287 0.146 0.000 0.920 1186 K CB 1.669 34.255 32.500 0.142 0.000 1.149 1186 K HN 0.436 nan 8.250 nan 0.000 0.444 1187 A N 3.425 126.343 122.820 0.165 0.000 2.294 1187 A HA 0.675 4.995 4.320 -0.000 0.000 0.330 1187 A C -0.596 177.139 177.584 0.252 0.000 1.133 1187 A CA -0.598 51.541 52.037 0.170 0.000 0.836 1187 A CB 0.641 19.681 19.000 0.067 0.000 1.190 1187 A HN 0.959 nan 8.150 nan 0.000 0.492 1188 H N -0.799 118.383 119.070 0.187 0.000 3.155 1188 H HA 0.460 5.016 4.556 -0.000 0.000 0.328 1188 H C -1.820 173.683 175.328 0.291 0.000 1.059 1188 H CA -0.623 55.530 56.048 0.176 0.000 1.378 1188 H CB -0.346 29.475 29.762 0.098 0.000 1.998 1188 H HN 0.440 nan 8.280 nan 0.000 0.480 1189 V N 2.341 122.449 119.914 0.324 0.000 3.262 1189 V HA 0.581 4.701 4.120 -0.000 0.000 0.313 1189 V C 0.561 176.925 176.094 0.451 0.000 1.070 1189 V CA -0.420 62.129 62.300 0.415 0.000 1.049 1189 V CB 1.548 33.669 31.823 0.498 0.000 1.157 1189 V HN 0.939 nan 8.190 nan 0.000 0.454 1190 T N 1.739 116.560 114.554 0.445 0.000 3.041 1190 T HA 0.433 4.783 4.350 -0.000 0.000 0.321 1190 T C -0.810 174.097 174.700 0.346 0.000 1.184 1190 T CA -0.687 61.648 62.100 0.391 0.000 1.050 1190 T CB 1.364 70.436 68.868 0.340 0.000 1.159 1190 T HN 0.591 nan 8.240 nan 0.000 0.469 1191 R N 1.822 122.533 120.500 0.351 0.000 2.474 1191 R HA 0.510 4.850 4.340 -0.000 0.000 0.295 1191 R C -0.885 175.602 176.300 0.311 0.000 0.980 1191 R CA -0.769 55.463 56.100 0.221 0.000 0.934 1191 R CB 1.053 31.427 30.300 0.123 0.000 1.101 1191 R HN 0.638 nan 8.270 nan 0.000 0.469 1192 H N 1.405 120.454 119.070 -0.035 0.000 2.597 1192 H HA 0.208 4.764 4.556 -0.000 0.000 0.225 1192 H C -2.315 172.978 175.328 -0.059 0.000 1.422 1192 H CA -1.820 54.208 56.048 -0.034 0.000 1.335 1192 H CB 0.574 30.314 29.762 -0.036 0.000 1.783 1192 H HN 0.317 nan 8.280 nan 0.000 0.513 1193 P HA -0.015 nan 4.420 nan 0.000 0.258 1193 P C -0.030 177.250 177.300 -0.033 0.000 1.187 1193 P CA 0.324 63.396 63.100 -0.046 0.000 0.767 1193 P CB 0.754 32.421 31.700 -0.055 0.000 0.770 1194 R N 4.627 125.109 120.500 -0.030 0.000 2.549 1194 R HA 0.324 4.664 4.340 -0.000 0.000 0.267 1194 R C -1.453 174.831 176.300 -0.026 0.000 1.045 1194 R CA -1.788 54.300 56.100 -0.020 0.000 1.115 1194 R CB -0.482 29.807 30.300 -0.018 0.000 1.121 1194 R HN 0.226 nan 8.270 nan 0.000 0.543 1195 P HA -0.254 nan 4.420 nan 0.000 0.213 1195 P C 0.560 177.847 177.300 -0.023 0.000 1.176 1195 P CA 1.517 64.605 63.100 -0.019 0.000 0.919 1195 P CB 0.046 31.738 31.700 -0.014 0.000 0.791 1196 E N -1.516 118.670 120.200 -0.023 0.000 2.233 1196 E HA -0.213 4.137 4.350 -0.000 0.000 0.210 1196 E C 1.500 178.082 176.600 -0.030 0.000 1.046 1196 E CA 1.508 57.893 56.400 -0.025 0.000 0.844 1196 E CB -0.934 28.750 29.700 -0.027 0.000 0.741 1196 E HN 0.428 nan 8.360 nan 0.000 0.465 1197 G N 0.599 109.377 108.800 -0.037 0.000 2.273 1197 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.162 1197 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.162 1197 G C -0.766 174.098 174.900 -0.061 0.000 1.006 1197 G CA -0.098 44.976 45.100 -0.044 0.000 0.704 1197 G HN 0.211 nan 8.290 nan 0.000 0.487 1198 D N 0.383 120.744 120.400 -0.065 0.000 2.217 1198 D HA 0.605 5.245 4.640 -0.000 0.000 0.243 1198 D C 0.348 176.589 176.300 -0.099 0.000 1.054 1198 D CA -0.230 53.716 54.000 -0.090 0.000 0.838 1198 D CB 2.399 43.150 40.800 -0.082 0.000 1.162 1198 D HN 0.171 nan 8.370 nan 0.000 0.472 1199 V N 0.881 120.710 119.914 -0.142 0.000 2.834 1199 V HA 0.639 4.759 4.120 -0.000 0.000 0.313 1199 V C 0.412 176.403 176.094 -0.173 0.000 1.060 1199 V CA -0.806 61.409 62.300 -0.142 0.000 0.989 1199 V CB 1.812 33.523 31.823 -0.186 0.000 1.041 1199 V HN 0.692 nan 8.190 nan 0.000 0.459 1200 T N 2.744 117.221 114.554 -0.128 0.000 2.809 1200 T HA 0.653 5.003 4.350 -0.000 0.000 0.296 1200 T C -0.927 173.671 174.700 -0.171 0.000 1.015 1200 T CA -0.447 61.555 62.100 -0.164 0.000 0.954 1200 T CB 0.195 68.990 68.868 -0.121 0.000 0.950 1200 T HN 0.397 nan 8.240 nan 0.000 0.450 1201 L N 4.455 125.507 121.223 -0.285 0.000 2.275 1201 L HA 0.632 4.972 4.340 -0.000 0.000 0.288 1201 L C 0.576 177.397 176.870 -0.082 0.000 1.046 1201 L CA -0.763 53.948 54.840 -0.215 0.000 0.805 1201 L CB 1.185 42.986 42.059 -0.430 0.000 1.193 1201 L HN 0.576 nan 8.230 nan 0.000 0.426 1202 R N 2.796 123.395 120.500 0.165 0.000 2.476 1202 R HA 0.450 4.790 4.340 -0.000 0.000 0.305 1202 R C -1.493 175.052 176.300 0.410 0.000 0.965 1202 R CA -0.511 55.728 56.100 0.232 0.000 0.867 1202 R CB 1.682 31.953 30.300 -0.048 0.000 1.176 1202 R HN 0.719 nan 8.270 nan 0.000 0.447 1203 c N 5.927 124.803 118.600 0.459 0.000 2.369 1203 c HA 0.558 5.128 4.570 -0.000 0.000 0.358 1203 c C -0.886 173.250 174.090 0.076 0.000 1.274 1203 c CA -0.470 56.021 56.329 0.270 0.000 1.935 1203 c CB -0.325 42.233 42.510 0.079 0.000 2.431 1203 c HN 0.847 nan 8.230 nan 0.000 0.545 1204 W N 3.317 124.567 121.300 -0.084 0.000 2.639 1204 W HA 0.639 5.299 4.660 -0.000 0.000 0.347 1204 W C -0.200 176.279 176.519 -0.066 0.000 1.067 1204 W CA -0.491 56.793 57.345 -0.101 0.000 1.218 1204 W CB 1.430 30.622 29.460 -0.447 0.000 1.393 1204 W HN 0.844 nan 8.180 nan 0.000 0.557 1205 A N 3.525 126.510 122.820 0.276 0.000 2.457 1205 A HA 0.791 5.111 4.320 -0.000 0.000 0.283 1205 A C -1.448 176.402 177.584 0.443 0.000 1.166 1205 A CA -0.509 51.635 52.037 0.177 0.000 0.740 1205 A CB 0.169 19.091 19.000 -0.130 0.000 1.181 1205 A HN 0.622 nan 8.150 nan 0.000 0.446 1206 L N 1.105 122.589 121.223 0.435 0.000 2.301 1206 L HA 0.853 5.193 4.340 -0.000 0.000 0.264 1206 L C 1.410 178.525 176.870 0.408 0.000 1.016 1206 L CA -0.279 54.832 54.840 0.452 0.000 0.821 1206 L CB 1.736 43.998 42.059 0.338 0.000 1.346 1206 L HN 1.167 nan 8.230 nan 0.000 0.429 1207 G N 0.878 109.821 108.800 0.238 0.000 2.245 1207 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 1207 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 1207 G C 0.163 175.129 174.900 0.109 0.000 0.985 1207 G CA 0.547 45.717 45.100 0.116 0.000 0.625 1207 G HN 0.667 nan 8.290 nan 0.000 0.536 1208 F N -0.518 119.449 119.950 0.028 0.000 2.496 1208 F HA 0.688 5.215 4.527 -0.000 0.000 0.344 1208 F C 0.014 175.919 175.800 0.175 0.000 1.155 1208 F CA -1.234 56.734 58.000 -0.055 0.000 1.302 1208 F CB 0.509 39.307 39.000 -0.337 0.000 1.159 1208 F HN 0.185 nan 8.300 nan 0.000 0.595 1209 Y N 4.454 124.837 120.300 0.137 0.000 2.401 1209 Y HA 0.480 5.030 4.550 -0.000 0.000 0.330 1209 Y C -2.870 173.284 175.900 0.424 0.000 1.071 1209 Y CA -2.776 55.466 58.100 0.237 0.000 1.049 1209 Y CB 2.213 40.742 38.460 0.116 0.000 1.239 1209 Y HN 0.496 nan 8.280 nan 0.000 0.437 1210 P HA 0.243 nan 4.420 nan 0.000 0.282 1210 P C -0.209 177.044 177.300 -0.079 0.000 1.287 1210 P CA -0.069 62.715 63.100 -0.526 0.000 0.792 1210 P CB 1.207 32.573 31.700 -0.557 0.000 1.163 1211 A N -0.602 121.934 122.820 -0.473 0.000 2.259 1211 A HA -0.063 4.257 4.320 -0.000 0.000 0.212 1211 A C 0.607 178.093 177.584 -0.163 0.000 1.178 1211 A CA 0.966 52.612 52.037 -0.651 0.000 0.734 1211 A CB -1.081 17.196 19.000 -1.206 0.000 0.774 1211 A HN 0.384 nan 8.150 nan 0.000 0.481 1212 D N -0.085 120.290 120.400 -0.042 0.000 2.249 1212 D HA 0.551 5.191 4.640 -0.000 0.000 0.246 1212 D C -0.673 175.676 176.300 0.083 0.000 1.114 1212 D CA 0.351 54.336 54.000 -0.026 0.000 0.854 1212 D CB 1.403 42.155 40.800 -0.081 0.000 1.132 1212 D HN 0.368 nan 8.370 nan 0.000 0.461 1213 I N 0.242 120.800 120.570 -0.019 0.000 2.908 1213 I HA 0.178 4.348 4.170 -0.000 0.000 0.300 1213 I C -1.304 174.745 176.117 -0.114 0.000 1.385 1213 I CA -0.358 60.891 61.300 -0.084 0.000 1.004 1213 I CB 2.343 40.139 38.000 -0.339 0.000 1.309 1213 I HN 0.084 nan 8.210 nan 0.000 0.449 1214 T N 7.141 121.636 114.554 -0.099 0.000 3.150 1214 T HA 0.413 4.763 4.350 -0.000 0.000 0.383 1214 T C -0.428 174.229 174.700 -0.071 0.000 1.313 1214 T CA -0.265 61.789 62.100 -0.077 0.000 1.235 1214 T CB 0.219 69.059 68.868 -0.047 0.000 1.088 1214 T HN 0.288 nan 8.240 nan 0.000 0.556 1215 L N 4.264 125.433 121.223 -0.089 0.000 2.281 1215 L HA 0.517 4.857 4.340 -0.000 0.000 0.285 1215 L C 0.579 177.432 176.870 -0.027 0.000 1.074 1215 L CA -0.122 54.672 54.840 -0.077 0.000 0.817 1215 L CB 0.712 42.714 42.059 -0.096 0.000 1.168 1215 L HN 0.673 nan 8.230 nan 0.000 0.434 1216 T N -0.933 113.586 114.554 -0.057 0.000 2.903 1216 T HA 0.477 4.827 4.350 -0.000 0.000 0.299 1216 T C -1.188 173.445 174.700 -0.112 0.000 1.093 1216 T CA -0.791 61.287 62.100 -0.036 0.000 1.002 1216 T CB 1.502 70.326 68.868 -0.074 0.000 1.127 1216 T HN 0.429 nan 8.240 nan 0.000 0.488 1217 W N 0.975 122.244 121.300 -0.050 0.000 2.632 1217 W HA 0.601 5.261 4.660 0.000 0.000 0.328 1217 W C 0.219 176.670 176.519 -0.113 0.000 1.044 1217 W CA -0.409 56.911 57.345 -0.042 0.000 1.225 1217 W CB 2.108 31.587 29.460 0.031 0.000 1.396 1217 W HN 0.785 nan 8.180 nan 0.000 0.499 1218 Q N 1.420 121.333 119.800 0.187 0.000 3.252 1218 Q HA 0.555 4.895 4.340 -0.000 0.000 0.324 1218 Q C -1.173 174.785 176.000 -0.069 0.000 0.963 1218 Q CA -1.361 54.436 55.803 -0.010 0.000 0.820 1218 Q CB 2.502 31.144 28.738 -0.161 0.000 1.497 1218 Q HN 0.289 nan 8.270 nan 0.000 0.484 1219 K N 1.031 121.337 120.400 -0.157 0.000 2.709 1219 K HA 0.066 4.386 4.320 -0.000 0.000 0.288 1219 K C -1.757 174.764 176.600 -0.133 0.000 1.362 1219 K CA 0.088 56.214 56.287 -0.268 0.000 1.002 1219 K CB 0.290 32.432 32.500 -0.595 0.000 1.407 1219 K HN 0.644 nan 8.250 nan 0.000 0.526 1220 D N 2.274 122.644 120.400 -0.050 0.000 2.798 1220 D HA -0.129 4.511 4.640 -0.000 0.000 0.237 1220 D C 0.674 176.966 176.300 -0.014 0.000 1.092 1220 D CA 2.168 56.159 54.000 -0.015 0.000 0.727 1220 D CB -1.057 39.730 40.800 -0.021 0.000 1.087 1220 D HN 1.058 nan 8.370 nan 0.000 0.437 1221 G N -0.479 108.316 108.800 -0.007 0.000 2.304 1221 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.252 1221 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.252 1221 G C 0.163 175.041 174.900 -0.037 0.000 1.014 1221 G CA 0.571 45.668 45.100 -0.005 0.000 0.619 1221 G HN 0.468 nan 8.290 nan 0.000 0.525 1222 E N 1.621 121.789 120.200 -0.053 0.000 2.289 1222 E HA 0.415 4.765 4.350 -0.000 0.000 0.278 1222 E C -0.217 176.337 176.600 -0.077 0.000 1.032 1222 E CA -0.241 56.123 56.400 -0.061 0.000 0.854 1222 E CB 0.605 30.267 29.700 -0.063 0.000 1.046 1222 E HN 0.454 nan 8.360 nan 0.000 0.409 1223 E N 3.078 123.240 120.200 -0.064 0.000 2.223 1223 E HA 0.150 4.500 4.350 -0.000 0.000 0.282 1223 E C -0.324 176.253 176.600 -0.038 0.000 1.046 1223 E CA -0.151 56.216 56.400 -0.055 0.000 0.857 1223 E CB 0.607 30.279 29.700 -0.046 0.000 1.055 1223 E HN 0.308 nan 8.360 nan 0.000 0.409 1224 L N 4.782 125.993 121.223 -0.020 0.000 2.505 1224 L HA 0.065 4.405 4.340 -0.000 0.000 0.279 1224 L C 0.131 176.990 176.870 -0.018 0.000 1.211 1224 L CA 0.051 54.877 54.840 -0.023 0.000 1.059 1224 L CB -1.269 40.787 42.059 -0.005 0.000 1.340 1224 L HN 0.639 nan 8.230 nan 0.000 0.447 1229 E N 7.179 127.289 120.200 -0.149 0.000 2.254 1229 E HA 0.972 5.322 4.350 -0.000 0.000 0.258 1229 E C -0.578 175.925 176.600 -0.162 0.000 1.033 1229 E CA -0.549 55.722 56.400 -0.216 0.000 0.893 1229 E CB 1.787 31.488 29.700 0.002 0.000 1.204 1229 E HN 0.870 nan 8.360 nan 0.000 0.425 1230 F N -2.498 117.277 119.950 -0.291 0.000 3.548 1230 F HA 0.491 5.018 4.527 -0.000 0.000 0.326 1230 F C -2.122 173.102 175.800 -0.960 0.000 1.036 1230 F CA -1.595 55.965 58.000 -0.734 0.000 0.820 1230 F CB -0.152 38.615 39.000 -0.388 0.000 1.590 1230 F HN 0.399 nan 8.300 nan 0.000 0.460 1231 V N -1.363 118.079 119.914 -0.786 0.000 2.841 1231 V HA 0.659 4.779 4.120 -0.000 0.000 0.310 1231 V C -0.359 175.353 176.094 -0.637 0.000 1.090 1231 V CA -0.952 60.935 62.300 -0.687 0.000 0.930 1231 V CB 1.558 32.871 31.823 -0.850 0.000 1.014 1231 V HN 0.835 nan 8.190 nan 0.000 0.425 1232 E N 1.925 121.875 120.200 -0.417 0.000 2.436 1232 E HA 0.136 4.486 4.350 -0.000 0.000 0.262 1232 E C 0.634 177.083 176.600 -0.250 0.000 1.063 1232 E CA 0.428 56.618 56.400 -0.349 0.000 0.944 1232 E CB 0.530 30.112 29.700 -0.197 0.000 0.950 1232 E HN 1.042 nan 8.360 nan 0.000 0.444 1233 T N 0.460 114.899 114.554 -0.191 0.000 2.916 1233 T HA 0.382 4.732 4.350 -0.000 0.000 0.303 1233 T C 0.147 174.864 174.700 0.029 0.000 1.025 1233 T CA -0.632 61.439 62.100 -0.048 0.000 1.142 1233 T CB 0.329 69.177 68.868 -0.032 0.000 0.947 1233 T HN 0.431 nan 8.240 nan 0.000 0.544 1234 R N 2.176 122.755 120.500 0.132 0.000 2.837 1234 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 1234 R C -3.018 173.404 176.300 0.202 0.000 0.993 1234 R CA -2.478 53.712 56.100 0.150 0.000 0.931 1234 R CB 0.531 30.887 30.300 0.093 0.000 1.206 1234 R HN 0.366 nan 8.270 nan 0.000 0.474 1235 P HA 0.070 nan 4.420 nan 0.000 0.276 1235 P C -0.382 176.860 177.300 -0.096 0.000 1.230 1235 P CA -0.232 62.807 63.100 -0.101 0.000 0.776 1235 P CB 1.598 33.248 31.700 -0.083 0.000 0.888 1236 A N 2.901 125.604 122.820 -0.195 0.000 1.935 1236 A HA 0.344 4.664 4.320 -0.000 0.000 0.214 1236 A C 1.604 179.126 177.584 -0.103 0.000 1.178 1236 A CA 1.590 53.565 52.037 -0.103 0.000 0.640 1236 A CB -1.011 17.922 19.000 -0.112 0.000 0.825 1236 A HN 0.665 nan 8.150 nan 0.000 0.447 1237 G N -0.734 107.969 108.800 -0.161 0.000 2.485 1237 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.181 1237 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.181 1237 G C 0.338 175.157 174.900 -0.136 0.000 0.999 1237 G CA 0.796 45.824 45.100 -0.121 0.000 0.721 1237 G HN 0.614 nan 8.290 nan 0.000 0.486 1238 D N -0.478 119.817 120.400 -0.176 0.000 2.479 1238 D HA 0.454 5.094 4.640 -0.000 0.000 0.216 1238 D C 1.675 177.829 176.300 -0.244 0.000 1.110 1238 D CA 1.054 54.951 54.000 -0.172 0.000 0.841 1238 D CB 0.158 40.873 40.800 -0.142 0.000 1.040 1238 D HN 1.436 nan 8.370 nan 0.000 0.505 1239 G N 0.294 108.901 108.800 -0.320 0.000 3.382 1239 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 1239 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 1239 G C 0.609 175.214 174.900 -0.491 0.000 1.025 1239 G CA 0.179 45.043 45.100 -0.394 0.000 0.869 1239 G HN 0.583 nan 8.290 nan 0.000 0.458 1240 T N -0.533 113.772 114.554 -0.416 0.000 2.698 1240 T HA 0.671 5.021 4.350 -0.000 0.000 0.295 1240 T C 0.126 174.354 174.700 -0.787 0.000 1.007 1240 T CA 0.068 61.921 62.100 -0.412 0.000 0.980 1240 T CB 1.278 70.016 68.868 -0.217 0.000 1.036 1240 T HN 0.264 nan 8.240 nan 0.000 0.526 1241 F N -0.625 118.964 119.950 -0.602 0.000 2.691 1241 F HA 0.606 5.133 4.527 -0.000 0.000 0.334 1241 F C 0.533 176.046 175.800 -0.480 0.000 1.107 1241 F CA -1.065 56.519 58.000 -0.694 0.000 0.991 1241 F CB 2.270 40.624 39.000 -1.077 0.000 1.400 1241 F HN 0.592 nan 8.300 nan 0.000 0.503 1242 Q N 0.416 120.315 119.800 0.165 0.000 2.687 1242 Q HA 0.683 5.023 4.340 -0.000 0.000 0.305 1242 Q C -1.615 174.634 176.000 0.414 0.000 1.006 1242 Q CA -1.363 54.695 55.803 0.426 0.000 0.763 1242 Q CB 3.802 32.750 28.738 0.350 0.000 1.506 1242 Q HN 0.529 nan 8.270 nan 0.000 0.459 1243 K N 0.299 120.876 120.400 0.295 0.000 3.245 1243 K HA 0.255 4.575 4.320 -0.000 0.000 0.350 1243 K C -2.220 174.334 176.600 -0.076 0.000 1.129 1243 K CA -0.546 55.742 56.287 0.002 0.000 0.883 1243 K CB 1.063 33.544 32.500 -0.032 0.000 1.411 1243 K HN 0.741 nan 8.250 nan 0.000 0.412 1244 W N 0.704 121.809 121.300 -0.324 0.000 3.213 1244 W HA 0.776 5.435 4.660 -0.000 0.000 0.318 1244 W C -1.863 174.560 176.519 -0.159 0.000 1.248 1244 W CA -0.831 56.241 57.345 -0.454 0.000 1.187 1244 W CB 1.045 29.833 29.460 -1.120 0.000 1.403 1244 W HN 0.714 nan 8.180 nan 0.000 0.556 1245 A N 1.644 124.644 122.820 0.300 0.000 2.337 1245 A HA 0.971 5.291 4.320 -0.000 0.000 0.329 1245 A C -0.969 176.943 177.584 0.547 0.000 1.146 1245 A CA -0.395 51.895 52.037 0.422 0.000 0.800 1245 A CB 1.340 20.600 19.000 0.434 0.000 1.220 1245 A HN 1.455 nan 8.150 nan 0.000 0.472 1246 A N 0.816 123.858 122.820 0.370 0.000 2.572 1246 A HA 0.824 5.144 4.320 -0.000 0.000 0.295 1246 A C -0.697 176.835 177.584 -0.087 0.000 1.072 1246 A CA -0.016 52.107 52.037 0.144 0.000 0.691 1246 A CB 1.450 20.621 19.000 0.285 0.000 1.291 1246 A HN 2.339 nan 8.150 nan 0.000 0.404 1247 V N -0.837 118.907 119.914 -0.283 0.000 3.012 1247 V HA 0.841 4.961 4.120 -0.000 0.000 0.307 1247 V C -0.404 175.530 176.094 -0.268 0.000 1.166 1247 V CA -0.581 61.551 62.300 -0.281 0.000 0.974 1247 V CB 1.320 32.919 31.823 -0.373 0.000 1.040 1247 V HN 1.764 nan 8.190 nan 0.000 0.428 1248 V N 1.522 121.325 119.914 -0.185 0.000 2.320 1248 V HA 0.773 4.893 4.120 -0.000 0.000 0.265 1248 V C -0.029 175.949 176.094 -0.194 0.000 1.048 1248 V CA -0.353 61.843 62.300 -0.174 0.000 0.865 1248 V CB 0.489 32.245 31.823 -0.111 0.000 1.043 1248 V HN 0.787 nan 8.190 nan 0.000 0.474 1249 V N 6.871 126.608 119.914 -0.295 0.000 2.539 1249 V HA 0.456 4.576 4.120 -0.000 0.000 0.292 1249 V C -2.191 173.739 176.094 -0.273 0.000 1.045 1249 V CA -2.002 60.067 62.300 -0.385 0.000 0.945 1249 V CB 1.853 33.221 31.823 -0.758 0.000 0.993 1249 V HN 0.766 nan 8.190 nan 0.000 0.464 1250 P HA 0.193 nan 4.420 nan 0.000 0.279 1250 P C -0.201 176.999 177.300 -0.168 0.000 1.318 1250 P CA -0.346 62.667 63.100 -0.144 0.000 0.819 1250 P CB 0.303 31.953 31.700 -0.083 0.000 0.927 1251 L N 3.536 124.663 121.223 -0.160 0.000 2.865 1251 L HA 0.123 4.463 4.340 -0.000 0.000 0.283 1251 L C 1.079 177.882 176.870 -0.111 0.000 1.101 1251 L CA 1.570 56.316 54.840 -0.156 0.000 1.061 1251 L CB -1.068 40.919 42.059 -0.120 0.000 1.437 1251 L HN 0.721 nan 8.230 nan 0.000 0.460 1252 G N 3.415 112.144 108.800 -0.118 0.000 3.685 1252 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 1252 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 1252 G C -0.203 174.667 174.900 -0.050 0.000 0.987 1252 G CA -0.268 44.794 45.100 -0.064 0.000 0.884 1252 G HN 0.406 nan 8.290 nan 0.000 0.406 1253 K N 1.880 122.235 120.400 -0.075 0.000 2.602 1253 K HA 0.705 5.025 4.320 -0.000 0.000 0.201 1253 K C 0.140 176.653 176.600 -0.146 0.000 1.070 1253 K CA -0.392 55.889 56.287 -0.011 0.000 1.026 1253 K CB 1.575 34.124 32.500 0.082 0.000 1.534 1253 K HN 0.242 nan 8.250 nan 0.000 0.560 1254 V N 0.153 119.956 119.914 -0.184 0.000 3.398 1254 V HA 0.056 4.176 4.120 -0.000 0.000 0.298 1254 V C 1.216 177.262 176.094 -0.079 0.000 1.496 1254 V CA 0.083 62.166 62.300 -0.363 0.000 1.044 1254 V CB 0.696 32.219 31.823 -0.501 0.000 0.880 1254 V HN 0.361 nan 8.190 nan 0.000 0.443 1255 Q N 0.802 120.650 119.800 0.080 0.000 2.384 1255 Q HA 0.098 4.438 4.340 -0.000 0.000 0.207 1255 Q C 2.140 178.288 176.000 0.246 0.000 0.904 1255 Q CA 1.077 56.994 55.803 0.190 0.000 0.933 1255 Q CB 0.560 29.402 28.738 0.175 0.000 1.077 1255 Q HN 0.733 nan 8.270 nan 0.000 0.522 1256 S N -1.144 114.739 115.700 0.305 0.000 2.575 1256 S HA 0.134 4.604 4.470 -0.000 0.000 0.215 1256 S C 0.140 174.912 174.600 0.287 0.000 0.966 1256 S CA -0.335 58.024 58.200 0.264 0.000 0.911 1256 S CB -0.037 63.285 63.200 0.203 0.000 0.780 1256 S HN 0.035 nan 8.310 nan 0.000 0.514 1257 Y N 2.853 123.262 120.300 0.181 0.000 2.361 1257 Y HA 0.649 5.199 4.550 -0.000 0.000 0.332 1257 Y C 0.747 176.944 175.900 0.494 0.000 1.101 1257 Y CA -1.008 57.295 58.100 0.339 0.000 1.137 1257 Y CB 1.620 40.240 38.460 0.266 0.000 1.207 1257 Y HN 0.237 nan 8.280 nan 0.000 0.463 1258 T N -1.440 113.440 114.554 0.543 0.000 2.868 1258 T HA 0.510 4.860 4.350 -0.000 0.000 0.306 1258 T C -1.365 173.018 174.700 -0.528 0.000 1.224 1258 T CA -0.978 61.164 62.100 0.069 0.000 1.012 1258 T CB 1.228 70.181 68.868 0.142 0.000 1.221 1258 T HN 0.846 nan 8.240 nan 0.000 0.499 1259 c N 2.137 120.294 118.600 -0.738 0.000 2.369 1259 c HA 0.675 5.245 4.570 -0.000 0.000 0.322 1259 c C -0.340 173.644 174.090 -0.177 0.000 1.258 1259 c CA -0.381 55.436 56.329 -0.854 0.000 1.487 1259 c CB -0.700 41.005 42.510 -1.342 0.000 2.165 1259 c HN 1.033 nan 8.230 nan 0.000 0.483 1260 H N 3.146 122.035 119.070 -0.302 0.000 2.467 1260 H HA 0.608 5.164 4.556 -0.000 0.000 0.331 1260 H C -0.611 174.622 175.328 -0.157 0.000 1.120 1260 H CA -0.771 55.172 56.048 -0.174 0.000 1.270 1260 H CB 1.844 31.538 29.762 -0.114 0.000 1.466 1260 H HN 0.543 nan 8.280 nan 0.000 0.504 1261 V N 4.223 124.126 119.914 -0.019 0.000 2.443 1261 V HA 0.135 4.255 4.120 -0.000 0.000 0.293 1261 V C -0.605 175.461 176.094 -0.046 0.000 1.021 1261 V CA -0.715 61.548 62.300 -0.062 0.000 0.848 1261 V CB 1.618 33.391 31.823 -0.083 0.000 0.998 1261 V HN 0.834 nan 8.190 nan 0.000 0.424 1262 D N 3.307 123.682 120.400 -0.041 0.000 2.629 1262 D HA 0.534 5.174 4.640 -0.000 0.000 0.250 1262 D C -1.060 175.248 176.300 0.014 0.000 1.126 1262 D CA -0.337 53.652 54.000 -0.017 0.000 0.852 1262 D CB 2.867 43.655 40.800 -0.020 0.000 1.335 1262 D HN 0.723 nan 8.370 nan 0.000 0.518 1263 H N -0.198 118.825 119.070 -0.079 0.000 2.980 1263 H HA 0.121 4.677 4.556 -0.000 0.000 0.367 1263 H C 0.793 176.104 175.328 -0.028 0.000 1.206 1263 H CA -0.604 55.404 56.048 -0.067 0.000 1.126 1263 H CB 1.843 31.559 29.762 -0.076 0.000 1.838 1263 H HN 0.398 nan 8.280 nan 0.000 0.552 1264 E N 1.497 121.230 120.200 -0.778 0.000 2.204 1264 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 1264 E C 1.297 177.795 176.600 -0.171 0.000 0.990 1264 E CA 1.431 57.581 56.400 -0.416 0.000 0.821 1264 E CB -0.206 29.240 29.700 -0.424 0.000 0.750 1264 E HN 0.662 nan 8.360 nan 0.000 0.477 1265 G N 0.711 109.523 108.800 0.020 0.000 2.813 1265 G HA2 0.113 4.073 3.960 -0.000 0.000 0.209 1265 G HA3 0.113 4.073 3.960 -0.000 0.000 0.209 1265 G C 0.405 175.411 174.900 0.176 0.000 1.150 1265 G CA -0.192 45.059 45.100 0.251 0.000 0.785 1265 G HN 0.093 nan 8.290 nan 0.000 0.535 1266 L N 0.426 121.730 121.223 0.135 0.000 2.334 1266 L HA 0.334 4.674 4.340 -0.000 0.000 0.277 1266 L C -1.188 175.704 176.870 0.037 0.000 1.075 1266 L CA -1.779 53.108 54.840 0.078 0.000 0.804 1266 L CB 1.828 43.925 42.059 0.064 0.000 1.174 1266 L HN -0.117 nan 8.230 nan 0.000 0.438 1267 P HA -0.040 nan 4.420 nan 0.000 0.220 1267 P C -0.350 176.951 177.300 0.002 0.000 1.152 1267 P CA 0.772 63.881 63.100 0.015 0.000 0.812 1267 P CB 0.343 32.052 31.700 0.016 0.000 0.792 1268 E N -1.417 118.781 120.200 -0.004 0.000 2.354 1268 E HA 0.363 4.713 4.350 -0.000 0.000 0.283 1268 E C -2.834 173.746 176.600 -0.033 0.000 0.938 1268 E CA -2.267 54.121 56.400 -0.019 0.000 0.777 1268 E CB 0.497 30.184 29.700 -0.021 0.000 1.222 1268 E HN -0.287 nan 8.360 nan 0.000 0.423 1269 P HA -0.074 nan 4.420 nan 0.000 0.270 1269 P C -1.085 176.151 177.300 -0.106 0.000 1.181 1269 P CA 0.182 63.236 63.100 -0.077 0.000 0.767 1269 P CB 0.308 31.946 31.700 -0.103 0.000 0.799 1270 L N 2.589 123.741 121.223 -0.117 0.000 2.322 1270 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 1270 L C 0.392 177.146 176.870 -0.193 0.000 1.014 1270 L CA 0.629 55.400 54.840 -0.116 0.000 0.815 1270 L CB 1.379 43.400 42.059 -0.064 0.000 1.247 1270 L HN 0.261 nan 8.230 nan 0.000 0.421 1271 T N 4.747 119.192 114.554 -0.182 0.000 3.401 1271 T HA 0.407 4.757 4.350 -0.000 0.000 0.341 1271 T C -0.322 174.346 174.700 -0.053 0.000 1.674 1271 T CA -0.390 61.601 62.100 -0.181 0.000 1.600 1271 T CB -0.332 68.381 68.868 -0.258 0.000 0.974 1271 T HN 0.156 nan 8.240 nan 0.000 0.672 1272 L N 2.947 124.149 121.223 -0.034 0.000 2.342 1272 L HA 0.384 4.724 4.340 -0.000 0.000 0.285 1272 L C 1.122 178.026 176.870 0.057 0.000 1.095 1272 L CA -0.432 54.417 54.840 0.016 0.000 0.843 1272 L CB -0.201 41.875 42.059 0.028 0.000 1.201 1272 L HN 0.404 nan 8.230 nan 0.000 0.445 1273 R N 2.854 123.426 120.500 0.120 0.000 3.701 1273 R HA 0.104 4.444 4.340 -0.000 0.000 0.210 1273 R C -0.474 176.064 176.300 0.396 0.000 1.598 1273 R CA -0.635 55.603 56.100 0.229 0.000 1.427 1273 R CB -0.324 30.103 30.300 0.212 0.000 1.339 1273 R HN 0.808 nan 8.270 nan 0.000 0.720 1274 W N 2.027 123.416 121.300 0.148 0.000 3.382 1274 W HA -0.299 4.361 4.660 0.000 0.000 0.323 1274 W C -0.739 175.859 176.519 0.131 0.000 1.237 1274 W CA 0.988 58.441 57.345 0.180 0.000 0.652 1274 W CB -2.113 27.458 29.460 0.185 0.000 2.310 1274 W HN 0.906 nan 8.180 nan 0.000 1.304 1275 E N -3.931 116.378 120.200 0.182 0.000 4.289 1275 E HA -0.214 4.136 4.350 -0.000 0.000 0.375 1275 E C -0.771 175.821 176.600 -0.013 0.000 0.624 1275 E CA 0.556 56.998 56.400 0.069 0.000 1.443 1275 E CB -2.092 27.639 29.700 0.051 0.000 1.807 1275 E HN 0.348 nan 8.360 nan 0.000 0.378 1276 P HA 0.000 nan 4.420 nan 0.000 0.216 1276 P CA 0.000 63.068 63.100 -0.053 0.000 0.800 1276 P CB 0.000 31.681 31.700 -0.032 0.000 0.726