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 2qom_1_B DATA FIRST_RESID 1024 DATA SEQUENCE NLNKRMGDLR DXXXEAGAWA RIMSGTGSAS GGFSDNYTHV QVGVDKKHEL DATA SEQUENCE XGLDLFTGFT VTHTDSSASA DVFSGKTKSV GAGLYASAMF DSGAYIDLIG DATA SEQUENCE KYVHHDNEYT ATFAXXXTRD YSTHSWYAGA EAGYRYHVTE DAWIEPQAEL DATA SEQUENCE VYGSVSGKQF AWKDXGMHLS MKDKDYNPLI GRTGVDVGKS FSGKXWKVTA DATA SEQUENCE RAGLGYQFDL LANGETVLRD ASGEKRIKGE KDSRMLMSVG LNAEIRDNVR DATA SEQUENCE FGLEFEKSAF GKYNVDNAVN ANFRYSFG 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 1024 N HA 0.000 nan 4.740 nan 0.000 0.220 1024 N C 0.000 175.446 175.510 -0.106 0.000 1.280 1024 N CA 0.000 53.024 53.050 -0.044 0.000 0.885 1024 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 1025 L N 4.461 125.604 121.223 -0.132 0.000 2.005 1025 L HA 0.152 4.493 4.340 0.001 0.000 0.207 1025 L C 1.739 178.428 176.870 -0.302 0.000 1.072 1025 L CA 2.149 56.839 54.840 -0.249 0.000 0.744 1025 L CB -0.983 40.881 42.059 -0.324 0.000 0.895 1025 L HN 0.763 nan 8.230 nan 0.000 0.433 1026 N N -0.994 117.547 118.700 -0.265 0.000 2.205 1026 N HA -0.221 4.520 4.740 0.001 0.000 0.186 1026 N C 1.944 177.350 175.510 -0.173 0.000 1.015 1026 N CA 1.560 54.474 53.050 -0.226 0.000 0.862 1026 N CB -0.006 38.390 38.487 -0.152 0.000 0.986 1026 N HN 0.201 nan 8.380 nan 0.000 0.429 1027 K N -0.121 120.198 120.400 -0.135 0.000 2.098 1027 K HA 0.142 4.463 4.320 0.001 0.000 0.203 1027 K C 2.150 178.691 176.600 -0.099 0.000 1.051 1027 K CA 0.937 57.173 56.287 -0.084 0.000 0.957 1027 K CB -0.284 32.190 32.500 -0.043 0.000 0.738 1027 K HN 0.362 nan 8.250 nan 0.000 0.447 1028 R N -0.825 119.576 120.500 -0.166 0.000 2.115 1028 R HA 0.029 4.370 4.340 0.001 0.000 0.230 1028 R C 1.907 177.898 176.300 -0.515 0.000 1.111 1028 R CA 1.703 57.662 56.100 -0.234 0.000 0.976 1028 R CB 0.043 30.166 30.300 -0.295 0.000 0.870 1028 R HN 0.236 nan 8.270 nan 0.000 0.445 1029 M N -2.274 117.002 119.600 -0.540 0.000 2.662 1029 M HA 0.318 4.799 4.480 0.001 0.000 0.214 1029 M C 0.942 176.983 176.300 -0.432 0.000 1.737 1029 M CA 1.008 55.866 55.300 -0.736 0.000 1.143 1029 M CB 0.939 33.034 32.600 -0.842 0.000 1.350 1029 M HN 0.302 nan 8.290 nan 0.000 0.572 1030 G N 0.815 109.407 108.800 -0.347 0.000 2.265 1030 G HA2 -0.112 3.848 3.960 0.001 0.000 0.246 1030 G HA3 -0.112 3.848 3.960 0.001 0.000 0.246 1030 G C -1.689 173.046 174.900 -0.275 0.000 1.299 1030 G CA -0.569 44.383 45.100 -0.247 0.000 1.117 1030 G HN 0.268 nan 8.290 nan 0.000 0.485 1031 D N 0.373 120.641 120.400 -0.221 0.000 2.295 1031 D HA 0.531 5.171 4.640 0.001 0.000 0.248 1031 D C 0.904 177.052 176.300 -0.253 0.000 1.154 1031 D CA -0.439 53.428 54.000 -0.221 0.000 0.857 1031 D CB 1.309 42.022 40.800 -0.146 0.000 1.117 1031 D HN 0.200 nan 8.370 nan 0.000 0.468 1032 L N 3.249 124.293 121.223 -0.297 0.000 2.693 1032 L HA 0.266 4.607 4.340 0.001 0.000 0.235 1032 L C 0.668 177.504 176.870 -0.057 0.000 1.127 1032 L CA 0.065 54.704 54.840 -0.336 0.000 0.914 1032 L CB -0.504 41.164 42.059 -0.652 0.000 1.193 1032 L HN 0.276 nan 8.230 nan 0.000 0.502 1033 R N 0.937 121.396 120.500 -0.068 0.000 2.442 1033 R HA 0.429 4.770 4.340 0.001 0.000 0.291 1033 R C 0.742 177.049 176.300 0.011 0.000 1.069 1033 R CA 1.023 57.115 56.100 -0.013 0.000 1.022 1033 R CB -0.200 30.063 30.300 -0.062 0.000 0.976 1033 R HN 0.400 nan 8.270 nan 0.000 0.443 1039 A N 0.253 122.777 122.820 -0.495 0.000 2.252 1039 A HA 0.914 5.235 4.320 0.001 0.000 0.305 1039 A C 0.577 177.843 177.584 -0.531 0.000 1.097 1039 A CA 0.121 51.747 52.037 -0.686 0.000 0.849 1039 A CB 1.259 19.415 19.000 -1.407 0.000 1.142 1039 A HN 0.789 nan 8.150 nan 0.000 0.499 1040 G N -1.599 107.074 108.800 -0.213 0.000 2.716 1040 G HA2 0.701 4.661 3.960 0.001 0.000 0.299 1040 G HA3 0.701 4.661 3.960 0.001 0.000 0.299 1040 G C -0.969 174.205 174.900 0.458 0.000 1.450 1040 G CA 0.325 45.548 45.100 0.206 0.000 0.968 1040 G HN 1.637 nan 8.290 nan 0.000 0.566 1041 A N 2.005 125.154 122.820 0.547 0.000 2.413 1041 A HA 1.020 5.340 4.320 0.001 0.000 0.307 1041 A C -0.820 177.060 177.584 0.493 0.000 1.087 1041 A CA -0.754 51.556 52.037 0.456 0.000 0.750 1041 A CB 1.657 20.896 19.000 0.399 0.000 1.296 1041 A HN 1.798 nan 8.150 nan 0.000 0.423 1042 W N -1.201 120.223 121.300 0.206 0.000 3.005 1042 W HA 0.775 5.436 4.660 0.002 0.000 0.343 1042 W C -1.109 175.505 176.519 0.159 0.000 1.243 1042 W CA -0.618 56.830 57.345 0.173 0.000 1.186 1042 W CB 1.132 30.644 29.460 0.087 0.000 1.453 1042 W HN 1.552 nan 8.180 nan 0.000 0.575 1043 A N 1.984 125.058 122.820 0.425 0.000 2.517 1043 A HA 0.734 5.055 4.320 0.001 0.000 0.297 1043 A C -1.567 176.227 177.584 0.350 0.000 1.050 1043 A CA -0.964 51.190 52.037 0.195 0.000 0.694 1043 A CB 2.146 21.210 19.000 0.107 0.000 1.277 1043 A HN 0.754 nan 8.150 nan 0.000 0.400 1044 R N 2.239 122.901 120.500 0.269 0.000 2.670 1044 R HA 0.806 5.147 4.340 0.001 0.000 0.289 1044 R C -1.701 174.680 176.300 0.135 0.000 0.965 1044 R CA -0.594 55.656 56.100 0.250 0.000 0.899 1044 R CB 1.435 31.936 30.300 0.335 0.000 1.173 1044 R HN 0.750 nan 8.270 nan 0.000 0.456 1045 I N 5.483 126.121 120.570 0.113 0.000 2.436 1045 I HA 0.356 4.527 4.170 0.001 0.000 0.289 1045 I C -1.383 174.797 176.117 0.105 0.000 1.010 1045 I CA -1.025 60.325 61.300 0.084 0.000 1.098 1045 I CB 1.796 39.817 38.000 0.035 0.000 1.266 1045 I HN 0.807 nan 8.210 nan 0.000 0.434 1046 M N 7.199 126.896 119.600 0.161 0.000 2.142 1046 M HA 0.344 4.825 4.480 0.001 0.000 0.299 1046 M C -1.452 174.899 176.300 0.086 0.000 0.960 1046 M CA -0.148 55.242 55.300 0.151 0.000 0.920 1046 M CB 1.623 34.371 32.600 0.247 0.000 1.541 1046 M HN 0.538 nan 8.290 nan 0.000 0.429 1047 S N 2.864 118.527 115.700 -0.061 0.000 2.509 1047 S HA 0.999 5.470 4.470 0.001 0.000 0.297 1047 S C -0.429 173.915 174.600 -0.428 0.000 1.118 1047 S CA -0.318 57.732 58.200 -0.249 0.000 1.074 1047 S CB 1.688 64.807 63.200 -0.135 0.000 1.038 1047 S HN 0.948 nan 8.310 nan 0.000 0.498 1048 G N 1.279 109.544 108.800 -0.891 0.000 2.608 1048 G HA2 0.620 4.581 3.960 0.001 0.000 0.291 1048 G HA3 0.620 4.581 3.960 0.001 0.000 0.291 1048 G C -1.587 173.049 174.900 -0.440 0.000 1.425 1048 G CA -0.451 44.256 45.100 -0.654 0.000 0.787 1048 G HN 0.683 nan 8.290 nan 0.000 0.484 1049 T N -0.929 113.593 114.554 -0.053 0.000 2.956 1049 T HA 0.783 5.134 4.350 0.001 0.000 0.312 1049 T C -0.005 174.771 174.700 0.126 0.000 1.151 1049 T CA 0.149 62.285 62.100 0.060 0.000 1.024 1049 T CB 1.897 70.757 68.868 -0.013 0.000 1.140 1049 T HN 1.371 nan 8.240 nan 0.000 0.473 1050 G N 0.913 109.817 108.800 0.172 0.000 2.727 1050 G HA2 0.807 4.768 3.960 0.001 0.000 0.289 1050 G HA3 0.807 4.768 3.960 0.001 0.000 0.289 1050 G C -1.354 173.537 174.900 -0.016 0.000 1.418 1050 G CA -0.747 44.344 45.100 -0.015 0.000 0.818 1050 G HN 1.071 nan 8.290 nan 0.000 0.486 1051 S N -1.774 113.780 115.700 -0.243 0.000 2.535 1051 S HA 0.879 5.350 4.470 0.001 0.000 0.272 1051 S C -0.358 174.315 174.600 0.121 0.000 1.149 1051 S CA 0.047 58.279 58.200 0.054 0.000 0.888 1051 S CB 1.461 64.660 63.200 -0.001 0.000 1.110 1051 S HN 2.130 nan 8.310 nan 0.000 0.463 1052 A N 1.770 124.857 122.820 0.445 0.000 2.686 1052 A HA 0.973 5.293 4.320 0.001 0.000 0.263 1052 A C 0.358 178.107 177.584 0.275 0.000 1.264 1052 A CA -0.257 52.008 52.037 0.380 0.000 0.799 1052 A CB 0.404 19.685 19.000 0.468 0.000 1.363 1052 A HN 1.846 nan 8.150 nan 0.000 0.507 1053 S N -1.523 114.301 115.700 0.206 0.000 2.633 1053 S HA 0.463 4.934 4.470 0.001 0.000 0.257 1053 S C 1.190 175.909 174.600 0.197 0.000 1.265 1053 S CA 0.669 58.965 58.200 0.161 0.000 0.980 1053 S CB 0.163 63.433 63.200 0.116 0.000 1.017 1053 S HN 2.686 nan 8.310 nan 0.000 0.577 1054 G N -0.545 108.346 108.800 0.152 0.000 2.187 1054 G HA2 0.101 4.061 3.960 0.001 0.000 0.261 1054 G HA3 0.101 4.061 3.960 0.001 0.000 0.261 1054 G C 1.237 176.240 174.900 0.172 0.000 1.000 1054 G CA 0.738 45.934 45.100 0.161 0.000 0.718 1054 G HN 2.397 nan 8.290 nan 0.000 0.519 1055 G N -1.638 107.254 108.800 0.153 0.000 2.143 1055 G HA2 -0.110 3.851 3.960 0.001 0.000 0.248 1055 G HA3 -0.110 3.851 3.960 0.001 0.000 0.248 1055 G C 0.351 175.327 174.900 0.127 0.000 0.991 1055 G CA 0.473 45.637 45.100 0.107 0.000 0.689 1055 G HN 1.855 nan 8.290 nan 0.000 0.522 1056 F N 2.868 122.870 119.950 0.087 0.000 2.495 1056 F HA 0.525 5.053 4.527 0.001 0.000 0.365 1056 F C 0.707 176.573 175.800 0.110 0.000 1.090 1056 F CA 0.240 58.313 58.000 0.122 0.000 1.235 1056 F CB 0.905 40.033 39.000 0.214 0.000 1.119 1056 F HN 0.540 nan 8.300 nan 0.000 0.562 1057 S N 3.814 119.167 115.700 -0.578 0.000 2.556 1057 S HA 0.701 5.172 4.470 0.001 0.000 0.271 1057 S C -1.747 172.486 174.600 -0.611 0.000 1.135 1057 S CA -0.955 56.986 58.200 -0.431 0.000 0.858 1057 S CB 2.249 65.343 63.200 -0.176 0.000 1.114 1057 S HN 0.659 nan 8.310 nan 0.000 0.468 1058 D N -0.464 119.770 120.400 -0.276 0.000 2.559 1058 D HA 0.725 5.366 4.640 0.001 0.000 0.250 1058 D C -1.041 175.295 176.300 0.060 0.000 1.135 1058 D CA -0.592 53.340 54.000 -0.114 0.000 0.955 1058 D CB 0.724 41.531 40.800 0.011 0.000 1.442 1058 D HN 0.738 nan 8.370 nan 0.000 0.471 1059 N N -1.958 116.802 118.700 0.100 0.000 2.494 1059 N HA 0.662 5.403 4.740 0.001 0.000 0.270 1059 N C -1.653 173.987 175.510 0.217 0.000 1.285 1059 N CA -0.944 52.177 53.050 0.118 0.000 0.812 1059 N CB 1.743 40.226 38.487 -0.007 0.000 1.557 1059 N HN 0.630 nan 8.380 nan 0.000 0.487 1060 Y N -3.332 116.992 120.300 0.039 0.000 2.624 1060 Y HA 0.773 5.324 4.550 0.001 0.000 0.334 1060 Y C -1.732 174.209 175.900 0.067 0.000 1.155 1060 Y CA -1.010 57.121 58.100 0.051 0.000 1.046 1060 Y CB 1.461 39.955 38.460 0.056 0.000 1.316 1060 Y HN 0.530 nan 8.280 nan 0.000 0.457 1061 T N 2.159 116.819 114.554 0.176 0.000 2.847 1061 T HA 0.291 4.642 4.350 0.001 0.000 0.291 1061 T C -1.891 172.972 174.700 0.272 0.000 0.998 1061 T CA -0.460 61.719 62.100 0.132 0.000 0.967 1061 T CB 0.313 69.225 68.868 0.074 0.000 0.954 1061 T HN 0.809 nan 8.240 nan 0.000 0.441 1062 H N 2.345 121.531 119.070 0.194 0.000 2.539 1062 H HA 0.675 5.232 4.556 0.002 0.000 0.332 1062 H C -1.070 174.339 175.328 0.135 0.000 1.031 1062 H CA -0.408 55.752 56.048 0.186 0.000 1.206 1062 H CB 0.667 30.564 29.762 0.226 0.000 1.446 1062 H HN 0.364 nan 8.280 nan 0.000 0.496 1063 V N 5.819 125.614 119.914 -0.199 0.000 2.495 1063 V HA 0.380 4.501 4.120 0.001 0.000 0.298 1063 V C -0.284 175.643 176.094 -0.277 0.000 1.031 1063 V CA -0.667 61.544 62.300 -0.149 0.000 0.871 1063 V CB 1.516 33.302 31.823 -0.062 0.000 0.988 1063 V HN 0.834 nan 8.190 nan 0.000 0.432 1064 Q N 2.892 122.590 119.800 -0.171 0.000 2.456 1064 Q HA 0.868 5.209 4.340 0.001 0.000 0.284 1064 Q C -2.235 173.618 176.000 -0.244 0.000 1.061 1064 Q CA -0.443 55.254 55.803 -0.176 0.000 0.799 1064 Q CB 2.865 31.591 28.738 -0.020 0.000 1.445 1064 Q HN 0.527 nan 8.270 nan 0.000 0.411 1065 V N 0.526 120.174 119.914 -0.443 0.000 3.120 1065 V HA 0.945 5.066 4.120 0.001 0.000 0.303 1065 V C -0.629 174.889 176.094 -0.961 0.000 1.238 1065 V CA 0.099 62.000 62.300 -0.665 0.000 1.008 1065 V CB 2.441 34.059 31.823 -0.342 0.000 1.064 1065 V HN 0.943 nan 8.190 nan 0.000 0.434 1066 G N 1.113 109.141 108.800 -1.285 0.000 2.576 1066 G HA2 0.741 4.702 3.960 0.001 0.000 0.290 1066 G HA3 0.741 4.702 3.960 0.001 0.000 0.290 1066 G C -1.662 173.010 174.900 -0.379 0.000 1.442 1066 G CA 0.122 44.743 45.100 -0.798 0.000 0.792 1066 G HN 1.529 nan 8.290 nan 0.000 0.491 1067 V N -1.471 118.558 119.914 0.191 0.000 2.971 1067 V HA 0.957 5.078 4.120 0.001 0.000 0.309 1067 V C -1.758 174.568 176.094 0.385 0.000 1.130 1067 V CA -0.830 61.657 62.300 0.311 0.000 0.964 1067 V CB 2.028 33.987 31.823 0.228 0.000 1.029 1067 V HN 1.310 nan 8.190 nan 0.000 0.427 1068 D N 1.011 121.616 120.400 0.342 0.000 2.663 1068 D HA 0.681 5.322 4.640 0.001 0.000 0.233 1068 D C -0.566 175.812 176.300 0.131 0.000 1.240 1068 D CA 0.098 54.249 54.000 0.251 0.000 0.774 1068 D CB 1.766 42.803 40.800 0.395 0.000 1.443 1068 D HN 1.065 nan 8.370 nan 0.000 0.441 1069 K N 0.729 121.153 120.400 0.040 0.000 2.098 1069 K HA 0.638 4.959 4.320 0.001 0.000 0.258 1069 K C -0.226 176.262 176.600 -0.187 0.000 0.973 1069 K CA -0.858 55.355 56.287 -0.123 0.000 0.898 1069 K CB 0.975 33.353 32.500 -0.204 0.000 1.057 1069 K HN 0.516 nan 8.250 nan 0.000 0.447 1070 K N 1.293 121.468 120.400 -0.374 0.000 2.164 1070 K HA 0.455 4.776 4.320 0.001 0.000 0.258 1070 K C -1.183 175.048 176.600 -0.614 0.000 0.951 1070 K CA -0.756 55.219 56.287 -0.520 0.000 0.844 1070 K CB 0.901 33.054 32.500 -0.579 0.000 1.099 1070 K HN 0.843 nan 8.250 nan 0.000 0.435 1071 H N 0.983 119.863 119.070 -0.316 0.000 2.547 1071 H HA 0.208 4.765 4.556 0.001 0.000 0.342 1071 H C -0.896 174.291 175.328 -0.234 0.000 1.048 1071 H CA -0.664 55.253 56.048 -0.219 0.000 1.204 1071 H CB 1.363 31.028 29.762 -0.162 0.000 1.493 1071 H HN 0.379 nan 8.280 nan 0.000 0.511 1072 E N 3.732 123.875 120.200 -0.094 0.000 2.167 1072 E HA 0.379 4.730 4.350 0.001 0.000 0.284 1072 E C -0.354 176.209 176.600 -0.060 0.000 1.016 1072 E CA -0.343 55.996 56.400 -0.101 0.000 0.817 1072 E CB 1.370 31.011 29.700 -0.099 0.000 1.080 1072 E HN 0.371 nan 8.360 nan 0.000 0.397 1076 L N -0.936 120.224 121.223 -0.106 0.000 2.506 1076 L HA 0.907 5.248 4.340 0.001 0.000 0.257 1076 L C -1.685 175.058 176.870 -0.211 0.000 0.964 1076 L CA -1.123 53.559 54.840 -0.262 0.000 0.836 1076 L CB 1.734 43.491 42.059 -0.503 0.000 1.384 1076 L HN 0.041 nan 8.230 nan 0.000 0.410 1077 D N 2.687 122.956 120.400 -0.217 0.000 2.427 1077 D HA 0.539 5.180 4.640 0.001 0.000 0.226 1077 D C -0.708 175.435 176.300 -0.263 0.000 1.076 1077 D CA -0.038 53.804 54.000 -0.264 0.000 0.849 1077 D CB 2.026 42.669 40.800 -0.262 0.000 1.052 1077 D HN 0.550 nan 8.370 nan 0.000 0.515 1078 L N 4.137 125.223 121.223 -0.227 0.000 2.268 1078 L HA 0.386 4.727 4.340 0.001 0.000 0.289 1078 L C -1.124 175.718 176.870 -0.047 0.000 1.064 1078 L CA -0.298 54.487 54.840 -0.091 0.000 0.824 1078 L CB -0.297 41.702 42.059 -0.101 0.000 1.202 1078 L HN 0.090 nan 8.230 nan 0.000 0.433 1079 F N 2.756 122.749 119.950 0.071 0.000 2.375 1079 F HA 0.620 5.147 4.527 0.001 0.000 0.333 1079 F C 0.769 176.624 175.800 0.091 0.000 1.104 1079 F CA -0.153 57.913 58.000 0.110 0.000 1.149 1079 F CB 1.654 40.737 39.000 0.138 0.000 1.190 1079 F HN 0.538 nan 8.300 nan 0.000 0.533 1080 T N -0.137 114.531 114.554 0.189 0.000 3.293 1080 T HA 0.741 5.092 4.350 0.001 0.000 0.320 1080 T C -0.590 173.967 174.700 -0.238 0.000 0.995 1080 T CA -0.758 61.297 62.100 -0.076 0.000 1.041 1080 T CB 1.000 69.889 68.868 0.035 0.000 1.058 1080 T HN 0.981 nan 8.240 nan 0.000 0.453 1081 G N 1.565 109.888 108.800 -0.795 0.000 2.749 1081 G HA2 0.706 4.667 3.960 0.001 0.000 0.300 1081 G HA3 0.706 4.667 3.960 0.001 0.000 0.300 1081 G C -2.192 172.641 174.900 -0.113 0.000 1.352 1081 G CA -0.884 43.982 45.100 -0.391 0.000 0.789 1081 G HN 0.679 nan 8.290 nan 0.000 0.509 1082 F N 0.072 120.068 119.950 0.075 0.000 2.538 1082 F HA 0.822 5.350 4.527 0.002 0.000 0.325 1082 F C -0.027 175.948 175.800 0.292 0.000 1.066 1082 F CA -0.702 57.397 58.000 0.165 0.000 0.946 1082 F CB 2.630 41.686 39.000 0.093 0.000 1.199 1082 F HN 0.573 nan 8.300 nan 0.000 0.473 1083 T N 4.127 118.465 114.554 -0.361 0.000 2.923 1083 T HA 0.693 5.044 4.350 0.001 0.000 0.311 1083 T C -2.000 172.381 174.700 -0.532 0.000 1.183 1083 T CA -0.451 61.476 62.100 -0.289 0.000 1.020 1083 T CB 1.152 70.091 68.868 0.118 0.000 1.165 1083 T HN 0.439 nan 8.240 nan 0.000 0.482 1084 V N 3.768 123.452 119.914 -0.383 0.000 2.769 1084 V HA 0.851 4.972 4.120 0.001 0.000 0.312 1084 V C 0.240 176.230 176.094 -0.172 0.000 1.061 1084 V CA -0.712 61.426 62.300 -0.270 0.000 0.931 1084 V CB 2.112 33.810 31.823 -0.208 0.000 1.010 1084 V HN 1.127 nan 8.190 nan 0.000 0.433 1085 T N 0.183 114.673 114.554 -0.107 0.000 2.906 1085 T HA 0.748 5.099 4.350 0.001 0.000 0.295 1085 T C -1.139 173.534 174.700 -0.046 0.000 1.061 1085 T CA -0.710 61.319 62.100 -0.118 0.000 1.000 1085 T CB 1.887 70.741 68.868 -0.024 0.000 1.103 1085 T HN 0.913 nan 8.240 nan 0.000 0.486 1086 H N 0.001 118.938 119.070 -0.222 0.000 2.877 1086 H HA 0.584 5.140 4.556 0.001 0.000 0.347 1086 H C -1.393 173.889 175.328 -0.077 0.000 1.042 1086 H CA -0.387 55.597 56.048 -0.107 0.000 1.276 1086 H CB 1.917 31.627 29.762 -0.087 0.000 1.681 1086 H HN 0.796 nan 8.280 nan 0.000 0.521 1087 T N 5.217 119.607 114.554 -0.273 0.000 2.864 1087 T HA 0.111 4.462 4.350 0.001 0.000 0.299 1087 T C -0.909 173.729 174.700 -0.104 0.000 1.011 1087 T CA -0.816 61.285 62.100 0.001 0.000 0.975 1087 T CB 0.763 69.757 68.868 0.210 0.000 0.962 1087 T HN 0.584 nan 8.240 nan 0.000 0.448 1088 D N 2.086 122.497 120.400 0.019 0.000 2.277 1088 D HA 0.395 5.036 4.640 0.001 0.000 0.249 1088 D C -0.714 175.651 176.300 0.108 0.000 1.134 1088 D CA 0.176 54.207 54.000 0.053 0.000 0.863 1088 D CB 1.226 42.096 40.800 0.117 0.000 1.143 1088 D HN 0.405 nan 8.370 nan 0.000 0.458 1089 S N 1.241 116.989 115.700 0.080 0.000 2.572 1089 S HA 0.488 4.959 4.470 0.001 0.000 0.274 1089 S C -1.148 173.495 174.600 0.072 0.000 1.150 1089 S CA -0.658 57.606 58.200 0.108 0.000 0.944 1089 S CB 1.036 64.282 63.200 0.077 0.000 1.071 1089 S HN 0.510 nan 8.310 nan 0.000 0.479 1090 S N 2.457 118.201 115.700 0.072 0.000 2.599 1090 S HA 1.006 5.476 4.470 0.001 0.000 0.287 1090 S C -0.609 173.998 174.600 0.011 0.000 1.105 1090 S CA -0.647 57.576 58.200 0.038 0.000 0.899 1090 S CB 1.810 65.015 63.200 0.009 0.000 1.100 1090 S HN 1.347 nan 8.310 nan 0.000 0.482 1091 A N 0.763 123.568 122.820 -0.025 0.000 2.612 1091 A HA 0.927 5.248 4.320 0.001 0.000 0.293 1091 A C -0.517 176.848 177.584 -0.365 0.000 1.075 1091 A CA -0.288 51.656 52.037 -0.154 0.000 0.680 1091 A CB 1.132 20.146 19.000 0.024 0.000 1.279 1091 A HN 2.196 nan 8.150 nan 0.000 0.411 1092 S N -0.383 114.943 115.700 -0.623 0.000 2.596 1092 S HA 1.020 5.491 4.470 0.001 0.000 0.270 1092 S C -0.532 173.644 174.600 -0.707 0.000 1.155 1092 S CA 0.127 57.836 58.200 -0.819 0.000 0.827 1092 S CB 1.383 64.317 63.200 -0.443 0.000 1.130 1092 S HN 2.720 nan 8.310 nan 0.000 0.467 1093 A N 0.580 123.037 122.820 -0.605 0.000 2.511 1093 A HA 0.656 4.976 4.320 0.001 0.000 0.293 1093 A C -0.323 177.223 177.584 -0.064 0.000 1.098 1093 A CA -0.431 51.519 52.037 -0.146 0.000 0.643 1093 A CB -0.121 19.014 19.000 0.226 0.000 1.302 1093 A HN 0.677 nan 8.150 nan 0.000 0.446 1094 D N -0.059 120.375 120.400 0.056 0.000 2.182 1094 D HA -0.130 4.511 4.640 0.001 0.000 0.201 1094 D C 1.874 178.226 176.300 0.087 0.000 0.986 1094 D CA 2.236 56.270 54.000 0.056 0.000 0.847 1094 D CB -0.170 40.673 40.800 0.072 0.000 0.942 1094 D HN 0.794 nan 8.370 nan 0.000 0.467 1095 V N -2.214 117.807 119.914 0.180 0.000 3.590 1095 V HA 0.288 4.409 4.120 0.001 0.000 0.265 1095 V C 0.278 176.561 176.094 0.315 0.000 1.239 1095 V CA -0.050 62.394 62.300 0.240 0.000 1.117 1095 V CB -0.798 31.191 31.823 0.277 0.000 0.818 1095 V HN 0.085 nan 8.190 nan 0.000 0.451 1096 F N -0.735 119.216 119.950 0.003 0.000 2.773 1096 F HA 0.847 5.374 4.527 0.001 0.000 0.314 1096 F C -0.919 174.783 175.800 -0.164 0.000 1.160 1096 F CA -0.211 57.677 58.000 -0.188 0.000 0.920 1096 F CB 1.054 39.721 39.000 -0.555 0.000 1.323 1096 F HN 0.034 nan 8.300 nan 0.000 0.457 1097 S N 0.800 116.272 115.700 -0.381 0.000 2.595 1097 S HA 1.015 5.486 4.470 0.001 0.000 0.281 1097 S C -0.848 173.724 174.600 -0.046 0.000 1.117 1097 S CA -0.155 57.785 58.200 -0.433 0.000 0.873 1097 S CB 1.614 64.665 63.200 -0.249 0.000 1.108 1097 S HN 1.978 nan 8.310 nan 0.000 0.477 1098 G N 0.744 109.565 108.800 0.035 0.000 2.600 1098 G HA2 0.660 4.621 3.960 0.001 0.000 0.293 1098 G HA3 0.660 4.621 3.960 0.001 0.000 0.293 1098 G C -2.200 172.768 174.900 0.112 0.000 1.408 1098 G CA -0.987 44.215 45.100 0.171 0.000 0.782 1098 G HN 0.775 nan 8.290 nan 0.000 0.482 1099 K N -0.502 119.960 120.400 0.104 0.000 2.508 1099 K HA 0.762 5.082 4.320 0.001 0.000 0.260 1099 K C -1.609 175.009 176.600 0.030 0.000 0.949 1099 K CA -0.875 55.447 56.287 0.058 0.000 0.834 1099 K CB 2.694 35.218 32.500 0.039 0.000 1.365 1099 K HN 0.433 nan 8.250 nan 0.000 0.437 1100 T N 1.017 115.575 114.554 0.008 0.000 3.109 1100 T HA 0.183 4.534 4.350 0.001 0.000 0.311 1100 T C -1.170 173.516 174.700 -0.023 0.000 1.011 1100 T CA -0.675 61.404 62.100 -0.034 0.000 1.026 1100 T CB 1.383 70.205 68.868 -0.076 0.000 1.047 1100 T HN 0.173 nan 8.240 nan 0.000 0.448 1101 K N 2.052 122.432 120.400 -0.033 0.000 2.183 1101 K HA 0.823 5.144 4.320 0.001 0.000 0.274 1101 K C -0.258 176.299 176.600 -0.072 0.000 1.009 1101 K CA -0.798 55.445 56.287 -0.073 0.000 0.888 1101 K CB 1.625 34.104 32.500 -0.035 0.000 1.078 1101 K HN 0.750 nan 8.250 nan 0.000 0.459 1102 S N 0.495 116.107 115.700 -0.146 0.000 2.548 1102 S HA 0.676 5.147 4.470 0.001 0.000 0.286 1102 S C -1.030 173.481 174.600 -0.149 0.000 1.098 1102 S CA -0.839 57.319 58.200 -0.070 0.000 0.930 1102 S CB 2.001 65.270 63.200 0.114 0.000 1.070 1102 S HN 0.356 nan 8.310 nan 0.000 0.480 1103 V N 1.313 121.181 119.914 -0.076 0.000 2.709 1103 V HA 0.888 5.009 4.120 0.001 0.000 0.308 1103 V C 0.256 176.311 176.094 -0.065 0.000 1.062 1103 V CA -0.225 62.057 62.300 -0.030 0.000 0.901 1103 V CB 2.086 33.934 31.823 0.042 0.000 1.003 1103 V HN 1.084 nan 8.190 nan 0.000 0.425 1104 G N 2.406 111.177 108.800 -0.047 0.000 2.642 1104 G HA2 0.920 4.881 3.960 0.001 0.000 0.293 1104 G HA3 0.920 4.881 3.960 0.001 0.000 0.293 1104 G C -1.233 173.643 174.900 -0.040 0.000 1.341 1104 G CA -0.150 44.913 45.100 -0.062 0.000 0.916 1104 G HN 1.179 nan 8.290 nan 0.000 0.474 1105 A N -1.144 121.666 122.820 -0.015 0.000 2.556 1105 A HA 1.037 5.358 4.320 0.001 0.000 0.294 1105 A C -0.157 177.422 177.584 -0.008 0.000 1.091 1105 A CA -0.131 51.854 52.037 -0.087 0.000 0.704 1105 A CB 1.983 21.001 19.000 0.030 0.000 1.300 1105 A HN 2.262 nan 8.150 nan 0.000 0.406 1106 G N -0.589 108.163 108.800 -0.079 0.000 2.579 1106 G HA2 0.568 4.529 3.960 0.001 0.000 0.292 1106 G HA3 0.568 4.529 3.960 0.001 0.000 0.292 1106 G C -1.826 173.214 174.900 0.233 0.000 1.484 1106 G CA -0.624 44.559 45.100 0.138 0.000 0.813 1106 G HN 0.769 nan 8.290 nan 0.000 0.515 1107 L N 0.422 121.839 121.223 0.324 0.000 2.334 1107 L HA 0.790 5.131 4.340 0.001 0.000 0.273 1107 L C -0.572 176.494 176.870 0.326 0.000 1.013 1107 L CA -1.206 53.824 54.840 0.318 0.000 0.816 1107 L CB 2.086 44.299 42.059 0.256 0.000 1.278 1107 L HN 0.794 nan 8.230 nan 0.000 0.431 1108 Y N 0.621 121.049 120.300 0.214 0.000 2.562 1108 Y HA 0.877 5.428 4.550 0.002 0.000 0.345 1108 Y C -1.120 174.877 175.900 0.161 0.000 1.045 1108 Y CA -1.303 56.900 58.100 0.172 0.000 1.028 1108 Y CB 1.849 40.403 38.460 0.157 0.000 1.297 1108 Y HN 0.519 nan 8.280 nan 0.000 0.463 1109 A N 1.945 124.930 122.820 0.274 0.000 2.357 1109 A HA 0.727 5.048 4.320 0.001 0.000 0.295 1109 A C -1.373 176.375 177.584 0.274 0.000 1.121 1109 A CA -0.692 51.466 52.037 0.200 0.000 0.742 1109 A CB 0.956 20.022 19.000 0.111 0.000 1.181 1109 A HN 0.685 nan 8.150 nan 0.000 0.454 1110 S N 1.399 117.291 115.700 0.320 0.000 2.530 1110 S HA 0.648 5.119 4.470 0.001 0.000 0.322 1110 S C -0.022 174.725 174.600 0.244 0.000 1.085 1110 S CA -0.263 58.090 58.200 0.256 0.000 1.096 1110 S CB 1.411 64.712 63.200 0.168 0.000 0.988 1110 S HN 1.283 nan 8.310 nan 0.000 0.466 1111 A N 4.894 127.812 122.820 0.164 0.000 2.260 1111 A HA 0.720 5.041 4.320 0.001 0.000 0.314 1111 A C -0.227 177.364 177.584 0.013 0.000 1.257 1111 A CA -0.616 51.415 52.037 -0.009 0.000 0.871 1111 A CB 0.194 19.131 19.000 -0.105 0.000 1.166 1111 A HN 0.692 nan 8.150 nan 0.000 0.522 1112 M N 3.809 123.373 119.600 -0.060 0.000 2.044 1112 M HA 0.371 4.852 4.480 0.001 0.000 0.333 1112 M C -1.299 174.949 176.300 -0.087 0.000 1.004 1112 M CA -0.148 55.180 55.300 0.046 0.000 0.954 1112 M CB 0.034 32.706 32.600 0.121 0.000 1.468 1112 M HN 0.556 nan 8.290 nan 0.000 0.414 1113 F N 1.910 121.899 119.950 0.065 0.000 2.382 1113 F HA 0.192 4.720 4.527 0.002 0.000 0.331 1113 F C 1.495 177.296 175.800 0.002 0.000 1.121 1113 F CA -0.062 57.956 58.000 0.031 0.000 1.183 1113 F CB 0.692 39.711 39.000 0.031 0.000 1.207 1113 F HN 0.538 nan 8.300 nan 0.000 0.555 1114 D N -0.085 120.418 120.400 0.171 0.000 2.178 1114 D HA -0.145 4.496 4.640 0.001 0.000 0.202 1114 D C 2.211 178.562 176.300 0.084 0.000 0.974 1114 D CA 1.612 55.665 54.000 0.089 0.000 0.841 1114 D CB -0.406 40.434 40.800 0.066 0.000 0.953 1114 D HN 0.472 nan 8.370 nan 0.000 0.478 1115 S N -0.845 114.928 115.700 0.123 0.000 2.500 1115 S HA 0.073 4.543 4.470 0.001 0.000 0.239 1115 S C 1.820 176.369 174.600 -0.085 0.000 0.989 1115 S CA 1.028 59.277 58.200 0.082 0.000 0.951 1115 S CB -0.042 63.243 63.200 0.141 0.000 0.759 1115 S HN 0.368 nan 8.310 nan 0.000 0.523 1116 G N 0.218 108.938 108.800 -0.134 0.000 2.195 1116 G HA2 -0.014 3.946 3.960 0.001 0.000 0.224 1116 G HA3 -0.014 3.946 3.960 0.001 0.000 0.224 1116 G C 0.199 174.804 174.900 -0.492 0.000 0.990 1116 G CA -0.117 44.778 45.100 -0.343 0.000 0.639 1116 G HN 1.205 nan 8.290 nan 0.000 0.514 1117 A N -0.153 122.463 122.820 -0.340 0.000 2.286 1117 A HA 0.877 5.198 4.320 0.001 0.000 0.286 1117 A C -0.292 177.435 177.584 0.239 0.000 1.097 1117 A CA 0.265 52.235 52.037 -0.111 0.000 0.821 1117 A CB 0.499 19.482 19.000 -0.028 0.000 1.076 1117 A HN 1.827 nan 8.150 nan 0.000 0.490 1118 Y N -1.568 118.834 120.300 0.170 0.000 2.544 1118 Y HA 0.776 5.327 4.550 0.001 0.000 0.342 1118 Y C -1.313 174.723 175.900 0.227 0.000 1.062 1118 Y CA -1.328 56.927 58.100 0.258 0.000 1.023 1118 Y CB 1.089 39.602 38.460 0.088 0.000 1.308 1118 Y HN 0.481 nan 8.280 nan 0.000 0.457 1119 I N 2.896 123.732 120.570 0.443 0.000 2.545 1119 I HA 0.375 4.546 4.170 0.001 0.000 0.292 1119 I C -1.529 174.785 176.117 0.328 0.000 1.040 1119 I CA -0.589 60.893 61.300 0.304 0.000 1.068 1119 I CB 2.162 40.327 38.000 0.274 0.000 1.251 1119 I HN 0.763 nan 8.210 nan 0.000 0.424 1120 D N 6.946 127.515 120.400 0.281 0.000 2.620 1120 D HA 0.536 5.177 4.640 0.001 0.000 0.252 1120 D C -1.459 174.947 176.300 0.177 0.000 1.207 1120 D CA -0.230 53.900 54.000 0.215 0.000 0.884 1120 D CB 1.260 42.161 40.800 0.169 0.000 1.262 1120 D HN 0.319 nan 8.370 nan 0.000 0.552 1121 L N 4.499 125.831 121.223 0.183 0.000 2.322 1121 L HA 0.630 4.971 4.340 0.001 0.000 0.281 1121 L C -0.374 176.622 176.870 0.211 0.000 1.014 1121 L CA -1.044 53.901 54.840 0.174 0.000 0.815 1121 L CB 1.847 44.000 42.059 0.156 0.000 1.247 1121 L HN 0.459 nan 8.230 nan 0.000 0.421 1122 I N 1.304 121.994 120.570 0.199 0.000 2.686 1122 I HA 0.722 4.893 4.170 0.001 0.000 0.295 1122 I C -0.676 175.578 176.117 0.229 0.000 1.114 1122 I CA -0.297 61.145 61.300 0.235 0.000 1.038 1122 I CB 2.326 40.443 38.000 0.195 0.000 1.238 1122 I HN 0.639 nan 8.210 nan 0.000 0.420 1123 G N 7.055 116.009 108.800 0.256 0.000 2.683 1123 G HA2 0.573 4.534 3.960 0.001 0.000 0.299 1123 G HA3 0.573 4.534 3.960 0.001 0.000 0.299 1123 G C -1.676 173.405 174.900 0.302 0.000 1.432 1123 G CA -0.557 44.712 45.100 0.281 0.000 0.978 1123 G HN 0.676 nan 8.290 nan 0.000 0.513 1124 K N 0.903 121.486 120.400 0.305 0.000 2.482 1124 K HA 0.676 4.996 4.320 0.001 0.000 0.257 1124 K C -2.001 174.714 176.600 0.191 0.000 0.969 1124 K CA -1.207 55.221 56.287 0.236 0.000 0.842 1124 K CB 2.660 35.258 32.500 0.162 0.000 1.359 1124 K HN 0.387 nan 8.250 nan 0.000 0.441 1125 Y N 0.958 121.173 120.300 -0.142 0.000 2.393 1125 Y HA 0.511 5.062 4.550 0.001 0.000 0.341 1125 Y C -1.597 174.126 175.900 -0.295 0.000 0.988 1125 Y CA -0.743 57.062 58.100 -0.493 0.000 1.078 1125 Y CB 1.844 39.764 38.460 -0.901 0.000 1.203 1125 Y HN 0.395 nan 8.280 nan 0.000 0.453 1126 V N 5.877 125.225 119.914 -0.943 0.000 2.656 1126 V HA 0.274 4.395 4.120 0.001 0.000 0.307 1126 V C -1.358 174.099 176.094 -1.062 0.000 1.051 1126 V CA -0.824 61.008 62.300 -0.780 0.000 0.893 1126 V CB 1.570 33.092 31.823 -0.502 0.000 0.999 1126 V HN 0.842 nan 8.190 nan 0.000 0.426 1127 H N 3.728 122.300 119.070 -0.830 0.000 2.551 1127 H HA 0.555 5.112 4.556 0.001 0.000 0.321 1127 H C -0.770 174.290 175.328 -0.446 0.000 1.028 1127 H CA -0.430 55.285 56.048 -0.555 0.000 1.215 1127 H CB 0.717 30.327 29.762 -0.253 0.000 1.414 1127 H HN 0.712 nan 8.280 nan 0.000 0.480 1128 H N 4.377 123.126 119.070 -0.535 0.000 2.476 1128 H HA 0.256 4.813 4.556 0.001 0.000 0.328 1128 H C -0.505 174.518 175.328 -0.508 0.000 1.073 1128 H CA -0.592 55.217 56.048 -0.399 0.000 1.229 1128 H CB 1.156 30.748 29.762 -0.283 0.000 1.432 1128 H HN 0.729 nan 8.280 nan 0.000 0.477 1129 D N 2.480 122.761 120.400 -0.198 0.000 2.248 1129 D HA 0.295 4.935 4.640 0.001 0.000 0.246 1129 D C -0.210 175.979 176.300 -0.186 0.000 1.027 1129 D CA -0.520 53.370 54.000 -0.182 0.000 0.853 1129 D CB 1.923 42.700 40.800 -0.038 0.000 1.243 1129 D HN 0.431 nan 8.370 nan 0.000 0.462 1130 N N 1.341 119.860 118.700 -0.302 0.000 2.324 1130 N HA 0.245 4.986 4.740 0.001 0.000 0.285 1130 N C -1.400 173.902 175.510 -0.347 0.000 1.076 1130 N CA -0.460 52.305 53.050 -0.474 0.000 0.864 1130 N CB 2.880 40.695 38.487 -1.120 0.000 1.632 1130 N HN 0.446 nan 8.380 nan 0.000 0.478 1131 E N 1.732 121.882 120.200 -0.082 0.000 2.278 1131 E HA 0.325 4.675 4.350 0.001 0.000 0.272 1131 E C -1.868 174.919 176.600 0.311 0.000 0.890 1131 E CA -0.518 55.961 56.400 0.131 0.000 0.770 1131 E CB 1.906 31.655 29.700 0.083 0.000 1.212 1131 E HN 0.542 nan 8.360 nan 0.000 0.415 1132 Y N 2.689 123.156 120.300 0.277 0.000 2.361 1132 Y HA 0.340 4.891 4.550 0.001 0.000 0.328 1132 Y C -1.393 174.655 175.900 0.248 0.000 1.044 1132 Y CA -0.459 57.826 58.100 0.308 0.000 1.085 1132 Y CB 1.866 40.521 38.460 0.325 0.000 1.194 1132 Y HN 0.418 nan 8.280 nan 0.000 0.438 1133 T N 3.824 118.401 114.554 0.038 0.000 2.809 1133 T HA 0.736 5.087 4.350 0.001 0.000 0.296 1133 T C -0.015 174.693 174.700 0.013 0.000 1.015 1133 T CA -0.688 61.459 62.100 0.078 0.000 0.954 1133 T CB 1.192 70.091 68.868 0.051 0.000 0.950 1133 T HN 0.840 nan 8.240 nan 0.000 0.450 1134 A N 2.983 125.902 122.820 0.166 0.000 2.477 1134 A HA 0.391 4.712 4.320 0.001 0.000 0.246 1134 A C 1.651 179.311 177.584 0.126 0.000 1.078 1134 A CA -0.325 51.838 52.037 0.209 0.000 0.770 1134 A CB -0.230 18.939 19.000 0.283 0.000 1.011 1134 A HN 0.856 nan 8.150 nan 0.000 0.494 1135 T N 1.245 115.882 114.554 0.139 0.000 2.737 1135 T HA -0.072 4.279 4.350 0.001 0.000 0.269 1135 T C 0.077 174.905 174.700 0.213 0.000 1.040 1135 T CA 2.139 64.316 62.100 0.129 0.000 1.142 1135 T CB -0.373 68.566 68.868 0.118 0.000 0.861 1135 T HN 0.540 nan 8.240 nan 0.000 0.456 1136 F N -0.759 119.216 119.950 0.041 0.000 2.654 1136 F HA 0.537 5.064 4.527 0.001 0.000 0.308 1136 F C -0.421 175.397 175.800 0.030 0.000 1.108 1136 F CA -0.463 57.553 58.000 0.026 0.000 0.957 1136 F CB 1.027 40.030 39.000 0.005 0.000 1.309 1136 F HN 0.250 nan 8.300 nan 0.000 0.446 1142 R N 1.042 121.694 120.500 0.253 0.000 2.771 1142 R HA 0.625 4.966 4.340 0.001 0.000 0.274 1142 R C -1.991 174.497 176.300 0.313 0.000 0.987 1142 R CA -0.459 55.779 56.100 0.229 0.000 0.908 1142 R CB 1.893 32.302 30.300 0.181 0.000 1.213 1142 R HN 0.322 nan 8.270 nan 0.000 0.468 1143 D N 3.043 123.593 120.400 0.250 0.000 2.233 1143 D HA 0.347 4.988 4.640 0.001 0.000 0.240 1143 D C -0.969 175.521 176.300 0.316 0.000 1.074 1143 D CA 0.358 54.495 54.000 0.228 0.000 0.838 1143 D CB 1.165 42.039 40.800 0.125 0.000 1.124 1143 D HN 0.460 nan 8.370 nan 0.000 0.475 1144 Y N -1.245 119.072 120.300 0.028 0.000 2.853 1144 Y HA 0.631 5.182 4.550 0.001 0.000 0.326 1144 Y C -1.121 174.778 175.900 -0.001 0.000 1.384 1144 Y CA -1.368 56.736 58.100 0.006 0.000 1.077 1144 Y CB 0.757 39.200 38.460 -0.028 0.000 1.395 1144 Y HN 0.178 nan 8.280 nan 0.000 0.451 1145 S N 0.246 115.948 115.700 0.002 0.000 2.540 1145 S HA 0.780 5.251 4.470 0.001 0.000 0.275 1145 S C -1.231 173.348 174.600 -0.035 0.000 1.123 1145 S CA 0.097 58.223 58.200 -0.123 0.000 0.907 1145 S CB 2.074 65.252 63.200 -0.036 0.000 1.081 1145 S HN 1.296 nan 8.310 nan 0.000 0.476 1146 T N 0.694 115.171 114.554 -0.129 0.000 2.812 1146 T HA 0.815 5.165 4.350 0.001 0.000 0.294 1146 T C -1.573 173.069 174.700 -0.097 0.000 1.159 1146 T CA -0.416 61.650 62.100 -0.057 0.000 1.008 1146 T CB 1.337 70.197 68.868 -0.013 0.000 1.289 1146 T HN 1.261 nan 8.240 nan 0.000 0.514 1147 H N -1.198 117.810 119.070 -0.103 0.000 2.990 1147 H HA 0.841 5.398 4.556 0.001 0.000 0.343 1147 H C -1.195 173.994 175.328 -0.231 0.000 1.270 1147 H CA -0.636 55.254 56.048 -0.264 0.000 1.118 1147 H CB 1.330 30.994 29.762 -0.162 0.000 1.861 1147 H HN 0.710 nan 8.280 nan 0.000 0.544 1148 S N -0.448 115.088 115.700 -0.274 0.000 2.550 1148 S HA 0.493 4.964 4.470 0.001 0.000 0.270 1148 S C -1.960 172.454 174.600 -0.310 0.000 1.145 1148 S CA -1.076 56.969 58.200 -0.258 0.000 0.852 1148 S CB 0.984 64.023 63.200 -0.270 0.000 1.119 1148 S HN 0.657 nan 8.310 nan 0.000 0.465 1149 W N 0.910 122.103 121.300 -0.179 0.000 2.529 1149 W HA 0.710 5.370 4.660 0.001 0.000 0.321 1149 W C -1.247 175.091 176.519 -0.302 0.000 1.047 1149 W CA -0.379 56.928 57.345 -0.063 0.000 1.216 1149 W CB 1.272 30.748 29.460 0.026 0.000 1.357 1149 W HN 0.668 nan 8.180 nan 0.000 0.489 1150 Y N 1.704 122.148 120.300 0.240 0.000 2.442 1150 Y HA 0.682 5.233 4.550 0.001 0.000 0.344 1150 Y C 0.036 176.051 175.900 0.192 0.000 0.976 1150 Y CA -1.418 56.765 58.100 0.139 0.000 1.040 1150 Y CB 2.084 40.576 38.460 0.054 0.000 1.228 1150 Y HN 0.444 nan 8.280 nan 0.000 0.451 1151 A N 1.888 124.922 122.820 0.357 0.000 2.343 1151 A HA 0.863 5.183 4.320 0.001 0.000 0.316 1151 A C -0.366 177.372 177.584 0.257 0.000 1.104 1151 A CA -0.314 51.895 52.037 0.287 0.000 0.768 1151 A CB 0.837 19.994 19.000 0.261 0.000 1.213 1151 A HN 0.879 nan 8.150 nan 0.000 0.456 1152 G N 0.122 109.042 108.800 0.201 0.000 2.524 1152 G HA2 0.791 4.752 3.960 0.001 0.000 0.310 1152 G HA3 0.791 4.752 3.960 0.001 0.000 0.310 1152 G C -0.677 174.305 174.900 0.137 0.000 1.279 1152 G CA 0.018 45.210 45.100 0.153 0.000 0.974 1152 G HN 1.614 nan 8.290 nan 0.000 0.484 1153 A N 1.026 123.916 122.820 0.116 0.000 2.414 1153 A HA 0.861 5.181 4.320 0.001 0.000 0.306 1153 A C -0.774 176.869 177.584 0.098 0.000 1.054 1153 A CA -0.647 51.456 52.037 0.109 0.000 0.724 1153 A CB 2.056 21.113 19.000 0.096 0.000 1.267 1153 A HN 0.668 nan 8.150 nan 0.000 0.418 1154 E N 0.908 121.180 120.200 0.119 0.000 2.292 1154 E HA 0.671 5.022 4.350 0.001 0.000 0.272 1154 E C -1.094 175.566 176.600 0.100 0.000 0.881 1154 E CA -0.675 55.803 56.400 0.130 0.000 0.754 1154 E CB 2.046 31.865 29.700 0.199 0.000 1.201 1154 E HN 1.038 nan 8.360 nan 0.000 0.425 1155 A N 2.550 125.355 122.820 -0.024 0.000 2.414 1155 A HA 0.899 5.220 4.320 0.001 0.000 0.306 1155 A C -0.486 176.835 177.584 -0.439 0.000 1.054 1155 A CA -0.009 51.893 52.037 -0.224 0.000 0.724 1155 A CB 1.880 20.811 19.000 -0.114 0.000 1.267 1155 A HN 0.639 nan 8.150 nan 0.000 0.418 1156 G N -0.787 107.430 108.800 -0.971 0.000 2.721 1156 G HA2 0.584 4.545 3.960 0.001 0.000 0.296 1156 G HA3 0.584 4.545 3.960 0.001 0.000 0.296 1156 G C -2.109 172.550 174.900 -0.401 0.000 1.383 1156 G CA -0.435 44.251 45.100 -0.689 0.000 0.788 1156 G HN 1.248 nan 8.290 nan 0.000 0.500 1157 Y N 0.217 120.407 120.300 -0.183 0.000 2.287 1157 Y HA 0.556 5.107 4.550 0.001 0.000 0.321 1157 Y C -0.228 175.690 175.900 0.030 0.000 1.173 1157 Y CA -0.841 57.225 58.100 -0.057 0.000 1.124 1157 Y CB 1.542 39.966 38.460 -0.060 0.000 1.201 1157 Y HN 0.602 nan 8.280 nan 0.000 0.421 1158 R N 5.514 125.884 120.500 -0.217 0.000 2.210 1158 R HA 0.252 4.593 4.340 0.001 0.000 0.338 1158 R C -1.868 174.323 176.300 -0.182 0.000 1.062 1158 R CA -0.397 55.571 56.100 -0.219 0.000 0.902 1158 R CB 0.434 30.422 30.300 -0.519 0.000 1.050 1158 R HN 0.671 nan 8.270 nan 0.000 0.461 1159 Y N 3.973 124.275 120.300 0.003 0.000 2.331 1159 Y HA 0.250 4.801 4.550 0.001 0.000 0.338 1159 Y C -0.972 174.946 175.900 0.029 0.000 0.976 1159 Y CA -0.869 57.298 58.100 0.112 0.000 1.137 1159 Y CB 0.817 39.439 38.460 0.270 0.000 1.172 1159 Y HN 0.630 nan 8.280 nan 0.000 0.478 1160 H N 4.744 123.586 119.070 -0.380 0.000 2.782 1160 H HA 0.225 4.782 4.556 0.001 0.000 0.285 1160 H C 0.946 175.966 175.328 -0.513 0.000 1.093 1160 H CA -0.178 55.712 56.048 -0.263 0.000 1.410 1160 H CB 1.003 30.668 29.762 -0.163 0.000 1.439 1160 H HN 0.635 nan 8.280 nan 0.000 0.469 1161 V N 2.160 121.978 119.914 -0.160 0.000 2.548 1161 V HA -0.090 4.031 4.120 0.001 0.000 0.249 1161 V C 1.305 177.371 176.094 -0.048 0.000 1.055 1161 V CA 1.724 63.969 62.300 -0.091 0.000 1.065 1161 V CB -0.468 31.374 31.823 0.033 0.000 0.681 1161 V HN 0.923 nan 8.190 nan 0.000 0.462 1162 T N -4.493 110.051 114.554 -0.017 0.000 2.812 1162 T HA 0.580 4.930 4.350 0.001 0.000 0.294 1162 T C 0.900 175.606 174.700 0.009 0.000 1.159 1162 T CA 0.255 62.347 62.100 -0.014 0.000 1.008 1162 T CB 1.902 70.758 68.868 -0.021 0.000 1.289 1162 T HN 0.120 nan 8.240 nan 0.000 0.514 1163 E N 0.150 120.335 120.200 -0.025 0.000 2.160 1163 E HA -0.151 4.200 4.350 0.001 0.000 0.195 1163 E C 1.499 178.098 176.600 -0.001 0.000 0.991 1163 E CA 2.021 58.397 56.400 -0.040 0.000 0.810 1163 E CB -1.113 28.549 29.700 -0.064 0.000 0.742 1163 E HN 0.862 nan 8.360 nan 0.000 0.466 1164 D N -1.111 119.273 120.400 -0.027 0.000 2.289 1164 D HA 0.310 4.951 4.640 0.001 0.000 0.207 1164 D C 0.341 176.595 176.300 -0.078 0.000 0.966 1164 D CA 1.124 55.078 54.000 -0.077 0.000 0.868 1164 D CB 0.298 41.027 40.800 -0.119 0.000 0.943 1164 D HN 0.561 nan 8.370 nan 0.000 0.514 1165 A N -0.355 122.455 122.820 -0.016 0.000 2.549 1165 A HA 0.621 4.942 4.320 0.001 0.000 0.297 1165 A C -1.597 175.993 177.584 0.011 0.000 1.061 1165 A CA -0.977 50.991 52.037 -0.116 0.000 0.690 1165 A CB 1.079 19.979 19.000 -0.167 0.000 1.287 1165 A HN 0.253 nan 8.150 nan 0.000 0.402 1166 W N 1.051 122.311 121.300 -0.067 0.000 3.062 1166 W HA 0.735 5.396 4.660 0.002 0.000 0.336 1166 W C -1.427 175.065 176.519 -0.045 0.000 1.224 1166 W CA -0.994 56.279 57.345 -0.122 0.000 1.159 1166 W CB 0.840 30.124 29.460 -0.293 0.000 1.454 1166 W HN 0.987 nan 8.180 nan 0.000 0.569 1167 I N -0.371 120.444 120.570 0.408 0.000 2.608 1167 I HA 0.659 4.830 4.170 0.001 0.000 0.295 1167 I C -1.149 175.246 176.117 0.463 0.000 1.049 1167 I CA -0.752 60.775 61.300 0.379 0.000 1.063 1167 I CB 2.567 40.711 38.000 0.239 0.000 1.248 1167 I HN 0.636 nan 8.210 nan 0.000 0.424 1168 E N 7.808 128.275 120.200 0.445 0.000 2.580 1168 E HA 0.448 4.799 4.350 0.001 0.000 0.248 1168 E C -2.730 174.022 176.600 0.253 0.000 1.018 1168 E CA -2.094 54.503 56.400 0.328 0.000 0.775 1168 E CB 1.745 31.614 29.700 0.283 0.000 1.378 1168 E HN 0.473 nan 8.360 nan 0.000 0.401 1169 P HA 0.015 nan 4.420 nan 0.000 0.271 1169 P C -0.948 176.424 177.300 0.120 0.000 1.216 1169 P CA 0.073 63.258 63.100 0.143 0.000 0.776 1169 P CB 0.978 32.739 31.700 0.102 0.000 0.881 1170 Q N 0.668 120.536 119.800 0.112 0.000 2.389 1170 Q HA 0.768 5.108 4.340 0.001 0.000 0.277 1170 Q C -1.218 174.827 176.000 0.075 0.000 1.082 1170 Q CA -0.983 54.880 55.803 0.101 0.000 0.810 1170 Q CB 2.827 31.664 28.738 0.166 0.000 1.374 1170 Q HN 0.531 nan 8.270 nan 0.000 0.422 1171 A N 1.777 124.625 122.820 0.047 0.000 2.427 1171 A HA 0.644 4.965 4.320 0.001 0.000 0.298 1171 A C -1.463 176.148 177.584 0.045 0.000 1.036 1171 A CA -0.572 51.494 52.037 0.048 0.000 0.701 1171 A CB 1.578 20.602 19.000 0.039 0.000 1.250 1171 A HN 0.781 nan 8.150 nan 0.000 0.412 1172 E N 1.471 121.691 120.200 0.034 0.000 2.331 1172 E HA 0.682 5.033 4.350 0.001 0.000 0.275 1172 E C -2.073 174.530 176.600 0.006 0.000 0.895 1172 E CA -0.758 55.662 56.400 0.034 0.000 0.753 1172 E CB 1.924 31.650 29.700 0.044 0.000 1.216 1172 E HN 0.740 nan 8.360 nan 0.000 0.434 1173 L N 3.515 124.760 121.223 0.037 0.000 2.381 1173 L HA 0.590 4.931 4.340 0.001 0.000 0.274 1173 L C -1.890 175.034 176.870 0.089 0.000 0.988 1173 L CA -0.647 54.223 54.840 0.050 0.000 0.824 1173 L CB 1.967 44.070 42.059 0.074 0.000 1.263 1173 L HN 0.561 nan 8.230 nan 0.000 0.410 1174 V N 5.294 125.268 119.914 0.100 0.000 2.487 1174 V HA 0.450 4.571 4.120 0.001 0.000 0.298 1174 V C -1.268 174.988 176.094 0.269 0.000 1.028 1174 V CA -0.581 61.812 62.300 0.156 0.000 0.860 1174 V CB 1.518 33.376 31.823 0.059 0.000 0.991 1174 V HN 0.694 nan 8.190 nan 0.000 0.427 1175 Y N 3.159 123.568 120.300 0.181 0.000 2.425 1175 Y HA 0.834 5.385 4.550 0.001 0.000 0.344 1175 Y C 0.178 176.183 175.900 0.176 0.000 0.969 1175 Y CA -0.424 57.772 58.100 0.160 0.000 1.052 1175 Y CB 2.152 40.671 38.460 0.099 0.000 1.215 1175 Y HN 0.737 nan 8.280 nan 0.000 0.451 1176 G N 1.419 109.869 108.800 -0.583 0.000 2.642 1176 G HA2 0.459 4.420 3.960 0.001 0.000 0.293 1176 G HA3 0.459 4.420 3.960 0.001 0.000 0.293 1176 G C -1.602 172.793 174.900 -0.842 0.000 1.341 1176 G CA -1.000 43.632 45.100 -0.781 0.000 0.916 1176 G HN 0.558 nan 8.290 nan 0.000 0.474 1177 S N 0.264 115.581 115.700 -0.638 0.000 2.158 1177 S HA 0.429 4.900 4.470 0.001 0.000 0.160 1177 S C -0.353 174.029 174.600 -0.363 0.000 1.693 1177 S CA -0.442 57.524 58.200 -0.390 0.000 1.251 1177 S CB 0.060 63.177 63.200 -0.137 0.000 1.153 1177 S HN 0.513 nan 8.310 nan 0.000 0.439 1178 V N 4.214 123.765 119.914 -0.605 0.000 2.498 1178 V HA 0.438 4.559 4.120 0.001 0.000 0.279 1178 V C 0.540 176.383 176.094 -0.418 0.000 1.048 1178 V CA -0.449 61.495 62.300 -0.594 0.000 0.967 1178 V CB 1.483 32.753 31.823 -0.922 0.000 0.988 1178 V HN 0.862 nan 8.190 nan 0.000 0.473 1179 S N 3.332 118.825 115.700 -0.345 0.000 2.475 1179 S HA 0.662 5.133 4.470 0.001 0.000 0.249 1179 S C 0.234 174.728 174.600 -0.177 0.000 1.298 1179 S CA -0.147 57.900 58.200 -0.256 0.000 1.125 1179 S CB 0.975 63.937 63.200 -0.396 0.000 1.054 1179 S HN 0.909 nan 8.310 nan 0.000 0.484 1180 G N 2.253 111.085 108.800 0.052 0.000 2.849 1180 G HA2 0.640 4.601 3.960 0.001 0.000 0.174 1180 G HA3 0.640 4.601 3.960 0.001 0.000 0.174 1180 G C -0.656 174.231 174.900 -0.022 0.000 1.370 1180 G CA -0.905 44.234 45.100 0.064 0.000 1.040 1180 G HN 0.575 nan 8.290 nan 0.000 0.582 1181 K N -0.673 119.662 120.400 -0.108 0.000 2.480 1181 K HA 0.467 4.788 4.320 0.001 0.000 0.258 1181 K C -1.029 175.352 176.600 -0.366 0.000 0.990 1181 K CA -0.602 55.539 56.287 -0.243 0.000 0.857 1181 K CB 2.517 34.818 32.500 -0.332 0.000 1.384 1181 K HN 0.683 nan 8.250 nan 0.000 0.446 1182 Q N 0.931 120.483 119.800 -0.413 0.000 2.553 1182 Q HA 0.392 4.732 4.340 0.001 0.000 0.293 1182 Q C -1.474 174.231 176.000 -0.492 0.000 1.038 1182 Q CA -0.699 54.853 55.803 -0.417 0.000 0.777 1182 Q CB 1.346 29.935 28.738 -0.248 0.000 1.487 1182 Q HN 0.442 nan 8.270 nan 0.000 0.426 1183 F N 0.783 120.598 119.950 -0.226 0.000 2.399 1183 F HA 0.695 5.223 4.527 0.001 0.000 0.342 1183 F C 0.465 176.053 175.800 -0.353 0.000 1.106 1183 F CA 0.322 58.185 58.000 -0.228 0.000 1.196 1183 F CB 1.770 40.708 39.000 -0.102 0.000 1.163 1183 F HN 0.687 nan 8.300 nan 0.000 0.547 1184 A N 2.990 125.733 122.820 -0.129 0.000 2.594 1184 A HA 0.766 5.087 4.320 0.001 0.000 0.291 1184 A C -2.095 175.393 177.584 -0.161 0.000 1.105 1184 A CA -0.821 50.965 52.037 -0.419 0.000 0.694 1184 A CB 0.780 19.598 19.000 -0.303 0.000 1.291 1184 A HN 0.805 nan 8.150 nan 0.000 0.410 1185 W N 0.947 122.270 121.300 0.038 0.000 2.627 1185 W HA 0.760 5.421 4.660 0.001 0.000 0.339 1185 W C 0.016 176.545 176.519 0.017 0.000 1.058 1185 W CA -0.777 56.585 57.345 0.029 0.000 1.223 1185 W CB 0.867 30.336 29.460 0.015 0.000 1.389 1185 W HN 0.662 nan 8.180 nan 0.000 0.541 1186 K N 0.892 121.441 120.400 0.249 0.000 2.440 1186 K HA 0.666 4.987 4.320 0.001 0.000 0.252 1186 K C -0.064 176.615 176.600 0.132 0.000 1.044 1186 K CA 0.189 56.560 56.287 0.139 0.000 0.962 1186 K CB -0.045 32.516 32.500 0.101 0.000 1.269 1186 K HN 0.752 nan 8.250 nan 0.000 0.505 1190 M N -0.668 118.952 119.600 0.034 0.000 2.631 1190 M HA 0.700 5.180 4.480 0.001 0.000 0.241 1190 M C 0.507 176.816 176.300 0.016 0.000 1.255 1190 M CA 1.003 56.304 55.300 0.002 0.000 0.983 1190 M CB -1.460 31.148 32.600 0.014 0.000 1.580 1190 M HN 1.832 nan 8.290 nan 0.000 0.464 1191 H N -1.814 117.281 119.070 0.042 0.000 2.984 1191 H HA 0.679 5.236 4.556 0.001 0.000 0.298 1191 H C -1.560 173.850 175.328 0.137 0.000 1.378 1191 H CA -0.591 55.491 56.048 0.057 0.000 1.241 1191 H CB 0.105 29.900 29.762 0.055 0.000 1.894 1191 H HN 0.905 nan 8.280 nan 0.000 0.511 1192 L N 2.443 123.748 121.223 0.137 0.000 2.257 1192 L HA 0.735 5.076 4.340 0.001 0.000 0.290 1192 L C 0.930 177.943 176.870 0.239 0.000 1.044 1192 L CA 0.946 55.928 54.840 0.237 0.000 0.810 1192 L CB 0.454 42.619 42.059 0.176 0.000 1.193 1192 L HN 1.304 nan 8.230 nan 0.000 0.425 1193 S N 4.445 120.300 115.700 0.258 0.000 2.618 1193 S HA 0.857 5.328 4.470 0.001 0.000 0.284 1193 S C -0.296 174.324 174.600 0.033 0.000 1.102 1193 S CA -0.617 57.651 58.200 0.113 0.000 0.984 1193 S CB 0.729 63.969 63.200 0.067 0.000 1.280 1193 S HN 0.574 nan 8.310 nan 0.000 0.525 1194 M N 1.506 121.034 119.600 -0.119 0.000 2.272 1194 M HA 0.306 4.787 4.480 0.001 0.000 0.240 1194 M C -1.549 174.603 176.300 -0.247 0.000 0.991 1194 M CA -0.226 54.890 55.300 -0.306 0.000 1.008 1194 M CB 1.353 33.647 32.600 -0.510 0.000 2.221 1194 M HN 0.651 nan 8.290 nan 0.000 0.469 1195 K N 2.967 123.226 120.400 -0.235 0.000 2.185 1195 K HA 0.389 4.710 4.320 0.001 0.000 0.269 1195 K C -0.767 175.721 176.600 -0.186 0.000 0.987 1195 K CA -0.616 55.565 56.287 -0.177 0.000 0.865 1195 K CB 1.025 33.429 32.500 -0.159 0.000 1.090 1195 K HN 0.675 nan 8.250 nan 0.000 0.450 1196 D N 2.461 122.782 120.400 -0.132 0.000 2.344 1196 D HA 0.201 4.842 4.640 0.001 0.000 0.244 1196 D C -0.895 175.351 176.300 -0.089 0.000 1.134 1196 D CA -0.340 53.593 54.000 -0.112 0.000 0.930 1196 D CB 1.068 41.832 40.800 -0.059 0.000 1.175 1196 D HN 0.222 nan 8.370 nan 0.000 0.437 1197 K N 0.884 121.242 120.400 -0.070 0.000 2.588 1197 K HA 0.315 4.636 4.320 0.001 0.000 0.250 1197 K C -2.140 174.491 176.600 0.051 0.000 0.972 1197 K CA -0.579 55.681 56.287 -0.045 0.000 0.821 1197 K CB 1.315 33.748 32.500 -0.113 0.000 1.249 1197 K HN 0.340 nan 8.250 nan 0.000 0.442 1198 D N 3.459 123.901 120.400 0.070 0.000 2.210 1198 D HA 0.381 5.022 4.640 0.001 0.000 0.249 1198 D C -0.515 175.913 176.300 0.215 0.000 1.078 1198 D CA 0.411 54.478 54.000 0.113 0.000 0.875 1198 D CB 0.611 41.433 40.800 0.037 0.000 1.175 1198 D HN 0.476 nan 8.370 nan 0.000 0.440 1199 Y N -1.312 118.940 120.300 -0.081 0.000 2.670 1199 Y HA 0.510 5.061 4.550 0.001 0.000 0.334 1199 Y C -1.356 174.479 175.900 -0.108 0.000 1.185 1199 Y CA -1.435 56.622 58.100 -0.072 0.000 1.053 1199 Y CB 1.112 39.534 38.460 -0.064 0.000 1.298 1199 Y HN 0.044 nan 8.280 nan 0.000 0.459 1200 N N 3.074 121.728 118.700 -0.077 0.000 2.776 1200 N HA 0.290 5.031 4.740 0.001 0.000 0.245 1200 N C -3.141 172.284 175.510 -0.142 0.000 1.121 1200 N CA -1.393 51.505 53.050 -0.253 0.000 0.852 1200 N CB 1.784 40.188 38.487 -0.138 0.000 1.142 1200 N HN 0.429 nan 8.380 nan 0.000 0.514 1201 P HA 0.097 nan 4.420 nan 0.000 0.268 1201 P C -0.339 176.994 177.300 0.055 0.000 1.204 1201 P CA -0.240 62.870 63.100 0.018 0.000 0.768 1201 P CB 1.427 33.171 31.700 0.073 0.000 0.842 1202 L N 4.617 125.943 121.223 0.172 0.000 2.342 1202 L HA 0.497 4.838 4.340 0.001 0.000 0.276 1202 L C -0.586 176.393 176.870 0.182 0.000 0.997 1202 L CA -0.671 54.321 54.840 0.253 0.000 0.838 1202 L CB 0.626 42.871 42.059 0.310 0.000 1.224 1202 L HN 0.247 nan 8.230 nan 0.000 0.416 1203 I N 4.304 124.949 120.570 0.126 0.000 2.378 1203 I HA 0.543 4.714 4.170 0.001 0.000 0.291 1203 I C 0.396 176.453 176.117 -0.101 0.000 0.992 1203 I CA -0.561 60.745 61.300 0.011 0.000 1.154 1203 I CB 1.845 39.834 38.000 -0.018 0.000 1.315 1203 I HN 0.641 nan 8.210 nan 0.000 0.448 1204 G N 5.196 113.753 108.800 -0.404 0.000 2.482 1204 G HA2 0.734 4.695 3.960 0.001 0.000 0.317 1204 G HA3 0.734 4.695 3.960 0.001 0.000 0.317 1204 G C -1.259 173.143 174.900 -0.830 0.000 1.241 1204 G CA -0.629 44.066 45.100 -0.675 0.000 0.967 1204 G HN 0.596 nan 8.290 nan 0.000 0.482 1205 R N 0.071 120.335 120.500 -0.395 0.000 2.604 1205 R HA 0.672 5.013 4.340 0.001 0.000 0.281 1205 R C -1.001 175.284 176.300 -0.025 0.000 1.020 1205 R CA -0.532 55.450 56.100 -0.197 0.000 0.899 1205 R CB 2.101 32.346 30.300 -0.092 0.000 1.205 1205 R HN 0.747 nan 8.270 nan 0.000 0.450 1206 T N 0.091 114.696 114.554 0.084 0.000 2.916 1206 T HA 0.854 5.205 4.350 0.001 0.000 0.298 1206 T C -0.303 174.490 174.700 0.154 0.000 1.031 1206 T CA -0.551 61.631 62.100 0.137 0.000 0.993 1206 T CB 2.063 71.047 68.868 0.193 0.000 1.045 1206 T HN 0.732 nan 8.240 nan 0.000 0.454 1207 G N 0.652 109.530 108.800 0.130 0.000 2.550 1207 G HA2 0.595 4.556 3.960 0.001 0.000 0.293 1207 G HA3 0.595 4.556 3.960 0.001 0.000 0.293 1207 G C -1.921 173.053 174.900 0.124 0.000 1.402 1207 G CA -0.637 44.537 45.100 0.124 0.000 0.784 1207 G HN 1.054 nan 8.290 nan 0.000 0.482 1208 V N 0.490 120.475 119.914 0.119 0.000 2.709 1208 V HA 0.610 4.731 4.120 0.001 0.000 0.308 1208 V C -1.339 174.838 176.094 0.139 0.000 1.062 1208 V CA -0.875 61.506 62.300 0.136 0.000 0.901 1208 V CB 2.010 33.904 31.823 0.119 0.000 1.003 1208 V HN 0.666 nan 8.190 nan 0.000 0.425 1209 D N 2.087 122.609 120.400 0.204 0.000 2.350 1209 D HA 0.690 5.331 4.640 0.001 0.000 0.245 1209 D C -0.638 175.779 176.300 0.194 0.000 1.036 1209 D CA -0.051 54.080 54.000 0.218 0.000 0.848 1209 D CB 2.371 43.373 40.800 0.338 0.000 1.307 1209 D HN 0.577 nan 8.370 nan 0.000 0.469 1210 V N -0.829 119.041 119.914 -0.074 0.000 2.735 1210 V HA 1.039 5.160 4.120 0.001 0.000 0.310 1210 V C 0.042 175.650 176.094 -0.810 0.000 1.061 1210 V CA -0.671 61.397 62.300 -0.387 0.000 0.913 1210 V CB 1.676 33.377 31.823 -0.204 0.000 1.005 1210 V HN 0.536 nan 8.190 nan 0.000 0.428 1211 G N 1.539 109.411 108.800 -1.547 0.000 2.696 1211 G HA2 0.644 4.605 3.960 0.001 0.000 0.295 1211 G HA3 0.644 4.605 3.960 0.001 0.000 0.295 1211 G C -1.597 172.705 174.900 -0.997 0.000 1.398 1211 G CA -0.739 43.566 45.100 -1.325 0.000 0.920 1211 G HN 0.894 nan 8.290 nan 0.000 0.492 1212 K N -0.178 119.924 120.400 -0.498 0.000 2.464 1212 K HA 0.829 5.149 4.320 0.001 0.000 0.253 1212 K C -0.061 176.324 176.600 -0.358 0.000 0.933 1212 K CA -0.275 55.775 56.287 -0.395 0.000 0.801 1212 K CB 1.600 33.895 32.500 -0.343 0.000 1.271 1212 K HN 1.399 nan 8.250 nan 0.000 0.430 1213 S N 1.850 117.307 115.700 -0.405 0.000 2.621 1213 S HA 0.855 5.326 4.470 0.001 0.000 0.302 1213 S C -0.721 173.475 174.600 -0.674 0.000 1.093 1213 S CA -0.712 57.296 58.200 -0.320 0.000 1.017 1213 S CB 0.793 63.959 63.200 -0.057 0.000 1.077 1213 S HN 0.511 nan 8.310 nan 0.000 0.517 1214 F N 0.126 120.096 119.950 0.033 0.000 2.569 1214 F HA 0.656 5.184 4.527 0.001 0.000 0.312 1214 F C 0.275 175.965 175.800 -0.185 0.000 1.109 1214 F CA -0.535 57.458 58.000 -0.013 0.000 0.919 1214 F CB 2.471 41.541 39.000 0.116 0.000 1.211 1214 F HN 0.602 nan 8.300 nan 0.000 0.446 1215 S N 0.268 115.832 115.700 -0.227 0.000 2.638 1215 S HA 0.841 5.312 4.470 0.001 0.000 0.302 1215 S C 0.279 174.324 174.600 -0.925 0.000 1.096 1215 S CA -0.381 57.512 58.200 -0.511 0.000 0.953 1215 S CB 1.982 65.019 63.200 -0.273 0.000 1.107 1215 S HN 0.889 nan 8.310 nan 0.000 0.503 1216 G N 0.226 108.393 108.800 -1.056 0.000 2.667 1216 G HA2 0.731 4.692 3.960 0.001 0.000 0.209 1216 G HA3 0.731 4.692 3.960 0.001 0.000 0.209 1216 G C -0.321 174.353 174.900 -0.377 0.000 1.963 1216 G CA 0.425 44.990 45.100 -0.891 0.000 0.728 1216 G HN 1.006 nan 8.290 nan 0.000 0.807 1220 K N 2.052 122.594 120.400 0.237 0.000 2.371 1220 K HA 0.692 5.013 4.320 0.001 0.000 0.251 1220 K C -1.783 174.991 176.600 0.290 0.000 0.934 1220 K CA -0.762 55.605 56.287 0.134 0.000 0.798 1220 K CB 2.740 35.258 32.500 0.029 0.000 1.204 1220 K HN 0.397 nan 8.250 nan 0.000 0.427 1221 V N 2.508 122.623 119.914 0.334 0.000 2.524 1221 V HA 0.247 4.368 4.120 0.001 0.000 0.297 1221 V C -0.785 175.475 176.094 0.277 0.000 1.035 1221 V CA -0.795 61.688 62.300 0.305 0.000 0.867 1221 V CB 1.823 33.896 31.823 0.417 0.000 1.004 1221 V HN 0.789 nan 8.190 nan 0.000 0.426 1222 T N 4.751 119.408 114.554 0.172 0.000 2.801 1222 T HA 0.599 4.950 4.350 0.001 0.000 0.306 1222 T C 0.397 175.184 174.700 0.144 0.000 1.020 1222 T CA -0.098 62.096 62.100 0.157 0.000 0.948 1222 T CB 1.202 70.195 68.868 0.208 0.000 0.962 1222 T HN 0.906 nan 8.240 nan 0.000 0.465 1223 A N 4.816 127.729 122.820 0.155 0.000 2.440 1223 A HA 0.656 4.977 4.320 0.001 0.000 0.251 1223 A C 0.578 178.169 177.584 0.012 0.000 1.089 1223 A CA -0.478 51.630 52.037 0.118 0.000 0.779 1223 A CB 0.280 19.383 19.000 0.171 0.000 1.022 1223 A HN 0.915 nan 8.150 nan 0.000 0.492 1224 R N 0.778 121.292 120.500 0.023 0.000 2.774 1224 R HA 0.845 5.185 4.340 0.001 0.000 0.272 1224 R C -1.001 175.303 176.300 0.006 0.000 1.000 1224 R CA -0.390 55.687 56.100 -0.038 0.000 0.906 1224 R CB 1.754 32.087 30.300 0.056 0.000 1.227 1224 R HN 1.196 nan 8.270 nan 0.000 0.468 1225 A N 0.446 123.253 122.820 -0.023 0.000 2.572 1225 A HA 0.868 5.189 4.320 0.001 0.000 0.295 1225 A C -1.120 176.478 177.584 0.023 0.000 1.072 1225 A CA -0.423 51.623 52.037 0.014 0.000 0.691 1225 A CB 2.182 21.184 19.000 0.003 0.000 1.291 1225 A HN 1.016 nan 8.150 nan 0.000 0.404 1226 G N -0.094 108.730 108.800 0.040 0.000 2.733 1226 G HA2 0.602 4.563 3.960 0.001 0.000 0.297 1226 G HA3 0.602 4.563 3.960 0.001 0.000 0.297 1226 G C -1.484 173.434 174.900 0.030 0.000 1.422 1226 G CA -0.489 44.641 45.100 0.051 0.000 0.942 1226 G HN 0.700 nan 8.290 nan 0.000 0.510 1227 L N 0.177 121.417 121.223 0.028 0.000 2.303 1227 L HA 0.964 5.305 4.340 0.001 0.000 0.266 1227 L C 0.618 177.488 176.870 -0.000 0.000 1.011 1227 L CA -0.761 54.074 54.840 -0.009 0.000 0.818 1227 L CB 2.500 44.555 42.059 -0.006 0.000 1.326 1227 L HN 0.915 nan 8.230 nan 0.000 0.435 1228 G N -0.202 108.552 108.800 -0.075 0.000 2.451 1228 G HA2 0.477 4.438 3.960 0.001 0.000 0.292 1228 G HA3 0.477 4.438 3.960 0.001 0.000 0.292 1228 G C -2.473 172.338 174.900 -0.149 0.000 1.427 1228 G CA -0.399 44.693 45.100 -0.014 0.000 0.792 1228 G HN 0.261 nan 8.290 nan 0.000 0.498 1229 Y N -0.262 120.115 120.300 0.129 0.000 2.485 1229 Y HA 0.744 5.294 4.550 0.001 0.000 0.345 1229 Y C 0.268 176.250 175.900 0.136 0.000 0.998 1229 Y CA -0.611 57.592 58.100 0.171 0.000 1.059 1229 Y CB 2.764 41.359 38.460 0.225 0.000 1.234 1229 Y HN 0.585 nan 8.280 nan 0.000 0.461 1230 Q N 3.524 123.499 119.800 0.291 0.000 2.331 1230 Q HA 0.605 4.946 4.340 0.001 0.000 0.272 1230 Q C -2.000 174.109 176.000 0.182 0.000 1.062 1230 Q CA -0.758 55.082 55.803 0.062 0.000 0.806 1230 Q CB 1.802 30.556 28.738 0.028 0.000 1.312 1230 Q HN 0.622 nan 8.270 nan 0.000 0.431 1231 F N 0.148 120.176 119.950 0.131 0.000 2.599 1231 F HA 0.747 5.275 4.527 0.001 0.000 0.311 1231 F C -1.330 174.531 175.800 0.101 0.000 1.076 1231 F CA -1.091 56.979 58.000 0.116 0.000 0.937 1231 F CB 1.479 40.541 39.000 0.102 0.000 1.282 1231 F HN 0.429 nan 8.300 nan 0.000 0.460 1232 D N 1.309 121.876 120.400 0.278 0.000 2.819 1232 D HA 0.541 5.182 4.640 0.001 0.000 0.232 1232 D C -1.816 174.609 176.300 0.209 0.000 1.160 1232 D CA -0.604 53.514 54.000 0.197 0.000 0.858 1232 D CB 2.544 43.412 40.800 0.114 0.000 1.610 1232 D HN 0.712 nan 8.370 nan 0.000 0.481 1233 L N 1.357 122.700 121.223 0.200 0.000 2.342 1233 L HA 0.454 4.795 4.340 0.001 0.000 0.276 1233 L C -1.595 175.369 176.870 0.157 0.000 0.997 1233 L CA -0.660 54.281 54.840 0.169 0.000 0.838 1233 L CB 1.300 43.464 42.059 0.176 0.000 1.224 1233 L HN 0.570 nan 8.230 nan 0.000 0.416 1234 L N 6.115 127.422 121.223 0.140 0.000 2.328 1234 L HA 0.523 4.864 4.340 0.001 0.000 0.280 1234 L C 0.684 177.646 176.870 0.154 0.000 1.111 1234 L CA -0.534 54.410 54.840 0.174 0.000 0.909 1234 L CB 0.850 43.005 42.059 0.159 0.000 1.277 1234 L HN 0.795 nan 8.230 nan 0.000 0.433 1235 A N 3.492 126.409 122.820 0.161 0.000 2.489 1235 A HA 0.223 4.544 4.320 0.001 0.000 0.289 1235 A C 0.630 178.292 177.584 0.130 0.000 1.216 1235 A CA -0.151 51.965 52.037 0.131 0.000 0.883 1235 A CB -0.699 18.383 19.000 0.137 0.000 1.110 1235 A HN 0.902 nan 8.150 nan 0.000 0.523 1236 N N 1.126 119.872 118.700 0.077 0.000 2.726 1236 N HA -0.087 4.654 4.740 0.001 0.000 0.253 1236 N C 0.553 176.064 175.510 0.003 0.000 1.059 1236 N CA 2.071 55.144 53.050 0.039 0.000 0.701 1236 N CB -1.151 37.365 38.487 0.049 0.000 0.899 1236 N HN 1.877 nan 8.380 nan 0.000 0.548 1237 G N -0.499 108.232 108.800 -0.115 0.000 2.246 1237 G HA2 -0.188 3.773 3.960 0.001 0.000 0.196 1237 G HA3 -0.188 3.773 3.960 0.001 0.000 0.196 1237 G C 0.345 175.166 174.900 -0.131 0.000 1.180 1237 G CA 0.002 45.058 45.100 -0.073 0.000 1.291 1237 G HN 0.143 nan 8.290 nan 0.000 0.508 1238 E N 0.121 120.278 120.200 -0.071 0.000 2.187 1238 E HA -0.171 4.180 4.350 0.001 0.000 0.199 1238 E C 2.291 178.838 176.600 -0.088 0.000 1.004 1238 E CA 1.935 58.298 56.400 -0.061 0.000 0.813 1238 E CB -0.232 29.451 29.700 -0.029 0.000 0.736 1238 E HN 0.459 nan 8.360 nan 0.000 0.468 1239 T N 0.110 114.594 114.554 -0.116 0.000 3.107 1239 T HA 0.096 4.447 4.350 0.001 0.000 0.249 1239 T C 0.401 174.999 174.700 -0.170 0.000 1.096 1239 T CA -0.133 61.901 62.100 -0.109 0.000 1.012 1239 T CB 0.110 68.921 68.868 -0.096 0.000 0.977 1239 T HN -0.201 nan 8.240 nan 0.000 0.527 1240 V N 3.398 123.150 119.914 -0.270 0.000 2.644 1240 V HA 0.507 4.628 4.120 0.001 0.000 0.295 1240 V C 0.240 176.164 176.094 -0.283 0.000 1.053 1240 V CA -1.105 60.974 62.300 -0.368 0.000 0.987 1240 V CB 1.306 32.721 31.823 -0.680 0.000 1.006 1240 V HN 0.463 nan 8.190 nan 0.000 0.472 1241 L N 2.401 123.433 121.223 -0.317 0.000 2.343 1241 L HA 0.684 5.025 4.340 0.001 0.000 0.275 1241 L C 0.129 176.864 176.870 -0.225 0.000 1.056 1241 L CA -0.558 54.121 54.840 -0.267 0.000 0.804 1241 L CB 0.733 42.482 42.059 -0.516 0.000 1.203 1241 L HN 0.445 nan 8.230 nan 0.000 0.440 1242 R N 2.158 122.563 120.500 -0.157 0.000 2.210 1242 R HA 0.262 4.603 4.340 0.001 0.000 0.338 1242 R C -1.010 175.200 176.300 -0.151 0.000 1.062 1242 R CA -0.484 55.553 56.100 -0.105 0.000 0.902 1242 R CB 0.374 30.629 30.300 -0.074 0.000 1.050 1242 R HN 0.865 nan 8.270 nan 0.000 0.461 1243 D N 1.802 122.212 120.400 0.017 0.000 2.624 1243 D HA 0.240 4.881 4.640 0.001 0.000 0.257 1243 D C 0.471 176.974 176.300 0.338 0.000 1.167 1243 D CA -0.814 53.283 54.000 0.162 0.000 1.086 1243 D CB 0.176 41.111 40.800 0.224 0.000 1.210 1243 D HN 0.247 nan 8.370 nan 0.000 0.631 1244 A N -0.554 122.435 122.820 0.283 0.000 2.259 1244 A HA 0.107 4.428 4.320 0.001 0.000 0.208 1244 A C 1.719 179.308 177.584 0.009 0.000 1.201 1244 A CA 0.787 52.928 52.037 0.175 0.000 0.824 1244 A CB -1.124 17.958 19.000 0.136 0.000 0.838 1244 A HN 0.481 nan 8.150 nan 0.000 0.485 1245 S N -1.188 114.454 115.700 -0.096 0.000 2.399 1245 S HA 0.159 4.630 4.470 0.001 0.000 0.231 1245 S C 1.738 176.107 174.600 -0.385 0.000 1.022 1245 S CA 1.462 59.423 58.200 -0.399 0.000 0.983 1245 S CB -0.579 62.336 63.200 -0.474 0.000 0.803 1245 S HN 1.819 nan 8.310 nan 0.000 0.480 1246 G N 0.630 109.327 108.800 -0.172 0.000 2.195 1246 G HA2 -0.242 3.718 3.960 0.001 0.000 0.246 1246 G HA3 -0.242 3.718 3.960 0.001 0.000 0.246 1246 G C 0.705 175.508 174.900 -0.161 0.000 0.984 1246 G CA 0.411 45.411 45.100 -0.167 0.000 0.633 1246 G HN 0.465 nan 8.290 nan 0.000 0.525 1247 E N 0.488 120.612 120.200 -0.126 0.000 2.004 1247 E HA 0.021 4.372 4.350 0.001 0.000 0.194 1247 E C 1.186 177.784 176.600 -0.004 0.000 0.981 1247 E CA 0.588 56.980 56.400 -0.015 0.000 0.842 1247 E CB -0.142 29.600 29.700 0.070 0.000 0.796 1247 E HN 0.462 nan 8.360 nan 0.000 0.477 1248 K N 1.347 121.742 120.400 -0.008 0.000 2.284 1248 K HA 0.152 4.473 4.320 0.001 0.000 0.287 1248 K C 0.498 176.958 176.600 -0.234 0.000 1.081 1248 K CA 0.028 56.257 56.287 -0.098 0.000 0.910 1248 K CB 0.434 32.848 32.500 -0.143 0.000 1.088 1248 K HN -0.052 nan 8.250 nan 0.000 0.478 1249 R N 3.335 123.623 120.500 -0.354 0.000 2.397 1249 R HA 0.231 4.572 4.340 0.001 0.000 0.241 1249 R C 0.553 176.469 176.300 -0.641 0.000 0.914 1249 R CA -0.045 55.652 56.100 -0.671 0.000 1.071 1249 R CB 0.036 29.819 30.300 -0.861 0.000 1.116 1249 R HN 0.555 nan 8.270 nan 0.000 0.524 1250 I N -1.884 118.489 120.570 -0.328 0.000 3.170 1250 I HA 0.505 4.676 4.170 0.001 0.000 0.312 1250 I C -1.100 174.937 176.117 -0.133 0.000 1.085 1250 I CA -1.524 59.681 61.300 -0.159 0.000 0.999 1250 I CB 2.007 39.991 38.000 -0.026 0.000 1.233 1250 I HN -0.145 nan 8.210 nan 0.000 0.467 1251 K N 1.698 122.065 120.400 -0.055 0.000 2.207 1251 K HA 0.858 5.178 4.320 0.001 0.000 0.255 1251 K C -0.073 176.522 176.600 -0.007 0.000 0.941 1251 K CA -0.409 55.859 56.287 -0.032 0.000 0.825 1251 K CB 1.733 34.233 32.500 -0.000 0.000 1.119 1251 K HN 1.237 nan 8.250 nan 0.000 0.430 1252 G N 1.687 110.478 108.800 -0.014 0.000 2.526 1252 G HA2 -0.196 3.765 3.960 0.001 0.000 0.250 1252 G HA3 -0.196 3.765 3.960 0.001 0.000 0.250 1252 G C -0.327 174.570 174.900 -0.005 0.000 1.289 1252 G CA -0.331 44.769 45.100 0.000 0.000 0.947 1252 G HN 0.689 nan 8.290 nan 0.000 0.517 1253 E N -0.160 120.051 120.200 0.018 0.000 2.572 1253 E HA 0.192 4.543 4.350 0.001 0.000 0.220 1253 E C 0.320 176.959 176.600 0.065 0.000 0.945 1253 E CA 0.175 56.596 56.400 0.035 0.000 1.070 1253 E CB 0.964 30.688 29.700 0.040 0.000 1.090 1253 E HN 0.390 nan 8.360 nan 0.000 0.506 1254 K N 1.254 121.693 120.400 0.066 0.000 2.371 1254 K HA 0.442 4.763 4.320 0.001 0.000 0.251 1254 K C -1.419 175.242 176.600 0.100 0.000 0.934 1254 K CA -0.703 55.638 56.287 0.090 0.000 0.798 1254 K CB 2.260 34.804 32.500 0.074 0.000 1.204 1254 K HN -0.154 nan 8.250 nan 0.000 0.427 1255 D N -0.132 120.351 120.400 0.137 0.000 2.623 1255 D HA 0.397 5.038 4.640 0.001 0.000 0.241 1255 D C -1.707 174.719 176.300 0.210 0.000 1.241 1255 D CA -0.231 53.862 54.000 0.156 0.000 0.788 1255 D CB 2.070 42.962 40.800 0.153 0.000 1.413 1255 D HN 0.341 nan 8.370 nan 0.000 0.429 1256 S N 1.175 117.006 115.700 0.219 0.000 2.572 1256 S HA 0.681 5.152 4.470 0.001 0.000 0.274 1256 S C -0.816 173.959 174.600 0.291 0.000 1.150 1256 S CA -0.829 57.540 58.200 0.281 0.000 0.944 1256 S CB 1.684 65.034 63.200 0.250 0.000 1.071 1256 S HN 0.388 nan 8.310 nan 0.000 0.479 1257 R N 1.274 121.960 120.500 0.310 0.000 2.807 1257 R HA 0.543 4.883 4.340 0.001 0.000 0.276 1257 R C -0.886 175.570 176.300 0.260 0.000 0.979 1257 R CA -0.707 55.545 56.100 0.253 0.000 0.928 1257 R CB 1.894 32.289 30.300 0.158 0.000 1.191 1257 R HN 0.542 nan 8.270 nan 0.000 0.471 1258 M N 3.193 122.879 119.600 0.145 0.000 2.209 1258 M HA 0.371 4.852 4.480 0.001 0.000 0.355 1258 M C -1.304 174.910 176.300 -0.143 0.000 1.171 1258 M CA -0.509 54.703 55.300 -0.147 0.000 1.069 1258 M CB 0.799 33.337 32.600 -0.103 0.000 1.622 1258 M HN 0.416 nan 8.290 nan 0.000 0.459 1259 L N 5.917 127.040 121.223 -0.167 0.000 2.295 1259 L HA 0.531 4.872 4.340 0.001 0.000 0.285 1259 L C -0.892 175.927 176.870 -0.085 0.000 1.035 1259 L CA -0.442 54.348 54.840 -0.084 0.000 0.806 1259 L CB 1.684 43.723 42.059 -0.034 0.000 1.214 1259 L HN 0.797 nan 8.230 nan 0.000 0.426 1260 M N 3.090 122.659 119.600 -0.052 0.000 2.395 1260 M HA 0.509 4.990 4.480 0.001 0.000 0.307 1260 M C -0.610 175.695 176.300 0.010 0.000 1.091 1260 M CA -0.284 54.999 55.300 -0.028 0.000 0.919 1260 M CB 2.430 35.005 32.600 -0.042 0.000 1.662 1260 M HN 0.606 nan 8.290 nan 0.000 0.440 1261 S N 1.361 117.079 115.700 0.030 0.000 2.579 1261 S HA 0.947 5.417 4.470 0.001 0.000 0.272 1261 S C -1.306 173.341 174.600 0.078 0.000 1.141 1261 S CA -0.833 57.404 58.200 0.062 0.000 0.843 1261 S CB 2.088 65.321 63.200 0.055 0.000 1.122 1261 S HN 0.497 nan 8.310 nan 0.000 0.468 1262 V N 0.610 120.599 119.914 0.125 0.000 2.777 1262 V HA 0.919 5.039 4.120 0.001 0.000 0.306 1262 V C 0.381 176.593 176.094 0.196 0.000 1.112 1262 V CA 0.352 62.739 62.300 0.145 0.000 0.917 1262 V CB 1.576 33.488 31.823 0.149 0.000 1.018 1262 V HN 1.561 nan 8.190 nan 0.000 0.426 1263 G N 3.131 112.017 108.800 0.144 0.000 2.488 1263 G HA2 0.704 4.665 3.960 0.001 0.000 0.301 1263 G HA3 0.704 4.665 3.960 0.001 0.000 0.301 1263 G C -2.193 172.767 174.900 0.100 0.000 1.339 1263 G CA -0.679 44.490 45.100 0.114 0.000 0.803 1263 G HN 0.614 nan 8.290 nan 0.000 0.482 1264 L N -0.352 120.913 121.223 0.071 0.000 2.354 1264 L HA 0.559 4.900 4.340 0.001 0.000 0.264 1264 L C -1.021 175.846 176.870 -0.005 0.000 1.008 1264 L CA -1.093 53.781 54.840 0.056 0.000 0.819 1264 L CB 2.551 44.647 42.059 0.062 0.000 1.339 1264 L HN 0.464 nan 8.230 nan 0.000 0.420 1265 N N 1.294 119.984 118.700 -0.016 0.000 2.524 1265 N HA 0.581 5.322 4.740 0.001 0.000 0.261 1265 N C -0.669 174.742 175.510 -0.165 0.000 0.998 1265 N CA -0.286 52.707 53.050 -0.095 0.000 0.915 1265 N CB 1.993 40.465 38.487 -0.025 0.000 1.187 1265 N HN 0.714 nan 8.380 nan 0.000 0.507 1266 A N 1.653 124.204 122.820 -0.449 0.000 2.286 1266 A HA 0.629 4.950 4.320 0.001 0.000 0.286 1266 A C -0.209 177.217 177.584 -0.264 0.000 1.097 1266 A CA -0.325 51.424 52.037 -0.479 0.000 0.821 1266 A CB 0.677 18.936 19.000 -1.236 0.000 1.076 1266 A HN 0.656 nan 8.150 nan 0.000 0.490 1267 E N 0.967 121.132 120.200 -0.058 0.000 2.313 1267 E HA 0.491 4.842 4.350 0.001 0.000 0.280 1267 E C -1.911 174.767 176.600 0.130 0.000 0.898 1267 E CA -0.259 56.155 56.400 0.023 0.000 0.803 1267 E CB 1.036 30.754 29.700 0.029 0.000 1.286 1267 E HN 0.590 nan 8.360 nan 0.000 0.401 1268 I N 5.293 125.945 120.570 0.136 0.000 2.410 1268 I HA 0.377 4.548 4.170 0.001 0.000 0.286 1268 I C 0.983 177.190 176.117 0.150 0.000 1.009 1268 I CA -0.617 60.798 61.300 0.190 0.000 1.111 1268 I CB 1.374 39.505 38.000 0.217 0.000 1.262 1268 I HN 0.769 nan 8.210 nan 0.000 0.443 1269 R N 3.301 123.891 120.500 0.150 0.000 3.753 1269 R HA -0.368 3.973 4.340 0.001 0.000 0.472 1269 R C 1.144 177.492 176.300 0.079 0.000 0.242 1269 R CA 2.651 58.817 56.100 0.109 0.000 1.482 1269 R CB -1.109 29.258 30.300 0.112 0.000 0.920 1269 R HN 0.841 nan 8.270 nan 0.000 0.594 1270 D N -1.273 119.174 120.400 0.079 0.000 2.626 1270 D HA 0.113 4.754 4.640 0.001 0.000 0.274 1270 D C 1.358 177.688 176.300 0.050 0.000 1.045 1270 D CA 0.771 54.804 54.000 0.056 0.000 0.925 1270 D CB -0.165 nan 40.800 nan 0.000 1.260 1270 D HN 0.493 nan 8.370 nan 0.000 0.490 1271 N N -0.419 118.328 118.700 0.079 0.000 2.349 1271 N HA 0.197 4.938 4.740 0.001 0.000 0.180 1271 N C 0.440 175.991 175.510 0.068 0.000 1.024 1271 N CA 0.361 53.448 53.050 0.062 0.000 0.869 1271 N CB 0.645 39.221 38.487 0.148 0.000 1.022 1271 N HN 0.310 nan 8.380 nan 0.000 0.433 1272 V N 2.151 122.128 119.914 0.105 0.000 2.465 1272 V HA 0.380 4.500 4.120 0.001 0.000 0.279 1272 V C 0.126 176.223 176.094 0.006 0.000 1.045 1272 V CA -0.375 61.948 62.300 0.037 0.000 0.938 1272 V CB 1.130 33.025 31.823 0.120 0.000 0.986 1272 V HN 0.197 nan 8.190 nan 0.000 0.467 1273 R N 3.893 124.338 120.500 -0.092 0.000 2.867 1273 R HA 0.816 5.157 4.340 0.001 0.000 0.268 1273 R C -1.400 174.918 176.300 0.030 0.000 1.014 1273 R CA -0.635 55.436 56.100 -0.048 0.000 0.946 1273 R CB 2.681 32.931 30.300 -0.083 0.000 1.208 1273 R HN 0.690 nan 8.270 nan 0.000 0.477 1274 F N -2.131 117.815 119.950 -0.006 0.000 2.678 1274 F HA 0.761 5.289 4.527 0.001 0.000 0.308 1274 F C -1.211 174.621 175.800 0.052 0.000 1.118 1274 F CA -0.966 57.071 58.000 0.062 0.000 0.959 1274 F CB 1.845 40.967 39.000 0.204 0.000 1.305 1274 F HN 0.561 nan 8.300 nan 0.000 0.443 1275 G N 2.357 111.282 108.800 0.209 0.000 2.741 1275 G HA2 0.590 4.551 3.960 0.001 0.000 0.293 1275 G HA3 0.590 4.551 3.960 0.001 0.000 0.293 1275 G C -2.796 172.173 174.900 0.116 0.000 1.457 1275 G CA -0.829 44.305 45.100 0.058 0.000 1.098 1275 G HN 0.866 nan 8.290 nan 0.000 0.536 1276 L N 1.298 122.563 121.223 0.070 0.000 2.329 1276 L HA 0.790 5.131 4.340 0.001 0.000 0.279 1276 L C -0.680 176.072 176.870 -0.196 0.000 1.014 1276 L CA -0.683 54.120 54.840 -0.062 0.000 0.814 1276 L CB 1.761 43.808 42.059 -0.021 0.000 1.257 1276 L HN 0.412 nan 8.230 nan 0.000 0.424 1277 E N 3.875 123.870 120.200 -0.340 0.000 2.293 1277 E HA 0.414 4.765 4.350 0.001 0.000 0.270 1277 E C -1.703 174.592 176.600 -0.508 0.000 0.879 1277 E CA -0.269 55.958 56.400 -0.289 0.000 0.756 1277 E CB 2.061 31.698 29.700 -0.106 0.000 1.208 1277 E HN 0.367 nan 8.360 nan 0.000 0.428 1278 F N 1.307 121.279 119.950 0.036 0.000 2.449 1278 F HA 0.370 4.898 4.527 0.001 0.000 0.342 1278 F C 0.796 176.605 175.800 0.016 0.000 1.127 1278 F CA -0.579 57.434 58.000 0.022 0.000 0.975 1278 F CB 1.486 40.495 39.000 0.015 0.000 1.146 1278 F HN 0.139 nan 8.300 nan 0.000 0.444 1279 E N 2.235 122.531 120.200 0.160 0.000 2.339 1279 E HA 0.710 5.061 4.350 0.001 0.000 0.262 1279 E C -1.149 175.493 176.600 0.070 0.000 0.934 1279 E CA -1.388 55.068 56.400 0.094 0.000 0.802 1279 E CB 3.504 33.245 29.700 0.068 0.000 1.275 1279 E HN 0.474 nan 8.360 nan 0.000 0.427 1280 K N 0.384 120.803 120.400 0.031 0.000 2.625 1280 K HA 0.329 4.649 4.320 0.001 0.000 0.284 1280 K C -1.776 174.801 176.600 -0.038 0.000 0.984 1280 K CA -0.386 55.897 56.287 -0.007 0.000 0.865 1280 K CB 1.912 34.398 32.500 -0.022 0.000 1.468 1280 K HN 0.627 nan 8.250 nan 0.000 0.407 1281 S N 0.756 116.412 115.700 -0.073 0.000 2.661 1281 S HA 0.948 5.419 4.470 0.001 0.000 0.285 1281 S C -1.521 172.965 174.600 -0.191 0.000 1.138 1281 S CA -0.352 57.785 58.200 -0.104 0.000 0.855 1281 S CB 2.035 65.208 63.200 -0.044 0.000 1.136 1281 S HN 0.899 nan 8.310 nan 0.000 0.484 1282 A N 0.184 122.845 122.820 -0.265 0.000 2.572 1282 A HA 0.794 5.114 4.320 0.001 0.000 0.295 1282 A C -0.514 176.841 177.584 -0.381 0.000 1.072 1282 A CA -0.594 51.108 52.037 -0.558 0.000 0.691 1282 A CB -0.045 18.300 19.000 -1.091 0.000 1.291 1282 A HN 1.646 nan 8.150 nan 0.000 0.404 1283 F N -1.429 118.549 119.950 0.047 0.000 2.871 1283 F HA -0.203 4.325 4.527 0.002 0.000 0.326 1283 F C 1.101 176.952 175.800 0.085 0.000 0.675 1283 F CA 0.770 58.813 58.000 0.072 0.000 1.188 1283 F CB -1.663 37.399 39.000 0.103 0.000 1.567 1283 F HN 1.040 nan 8.300 nan 0.000 0.325 1284 G N -0.122 108.788 108.800 0.183 0.000 2.502 1284 G HA2 0.499 4.460 3.960 0.001 0.000 0.305 1284 G HA3 0.499 4.460 3.960 0.001 0.000 0.305 1284 G C 0.747 175.733 174.900 0.143 0.000 1.190 1284 G CA -0.400 44.803 45.100 0.170 0.000 0.933 1284 G HN 0.219 nan 8.290 nan 0.000 0.503 1285 K N -1.058 119.435 120.400 0.156 0.000 2.062 1285 K HA -0.006 4.315 4.320 0.001 0.000 0.205 1285 K C 0.029 176.739 176.600 0.184 0.000 1.051 1285 K CA 0.805 57.180 56.287 0.146 0.000 0.941 1285 K CB -0.013 32.567 32.500 0.132 0.000 0.719 1285 K HN 0.468 nan 8.250 nan 0.000 0.440 1286 Y N 1.360 121.712 120.300 0.087 0.000 2.341 1286 Y HA 0.296 4.847 4.550 0.002 0.000 0.337 1286 Y C -1.251 174.709 175.900 0.100 0.000 1.014 1286 Y CA -1.030 57.132 58.100 0.103 0.000 1.111 1286 Y CB 1.027 39.538 38.460 0.085 0.000 1.194 1286 Y HN -0.088 nan 8.280 nan 0.000 0.462 1287 N N 3.568 121.909 118.700 -0.599 0.000 2.258 1287 N HA 0.446 5.187 4.740 0.001 0.000 0.299 1287 N C -1.706 173.467 175.510 -0.562 0.000 1.047 1287 N CA -0.827 51.979 53.050 -0.406 0.000 0.814 1287 N CB 2.228 40.588 38.487 -0.210 0.000 1.413 1287 N HN 0.323 nan 8.380 nan 0.000 0.478 1288 V N 2.328 122.100 119.914 -0.237 0.000 2.446 1288 V HA 0.012 4.133 4.120 0.001 0.000 0.276 1288 V C 0.331 176.378 176.094 -0.078 0.000 1.030 1288 V CA 0.387 62.642 62.300 -0.075 0.000 1.033 1288 V CB 0.546 32.408 31.823 0.065 0.000 0.993 1288 V HN 0.755 nan 8.190 nan 0.000 0.477 1289 D N 2.637 122.995 120.400 -0.070 0.000 2.277 1289 D HA 0.076 4.717 4.640 0.001 0.000 0.209 1289 D C 0.451 176.736 176.300 -0.026 0.000 0.970 1289 D CA 0.846 54.810 54.000 -0.060 0.000 0.874 1289 D CB 0.396 41.158 40.800 -0.062 0.000 0.982 1289 D HN 0.513 nan 8.370 nan 0.000 0.504 1290 N N -0.453 118.246 118.700 -0.002 0.000 2.331 1290 N HA 0.588 5.329 4.740 0.001 0.000 0.280 1290 N C -1.493 174.036 175.510 0.032 0.000 1.155 1290 N CA -0.404 52.655 53.050 0.017 0.000 0.822 1290 N CB 2.908 41.395 38.487 -0.000 0.000 1.619 1290 N HN -0.057 nan 8.380 nan 0.000 0.476 1291 A N 0.722 123.578 122.820 0.060 0.000 2.555 1291 A HA 0.603 4.924 4.320 0.001 0.000 0.297 1291 A C -1.455 176.169 177.584 0.067 0.000 1.060 1291 A CA -0.500 51.564 52.037 0.045 0.000 0.710 1291 A CB 0.963 20.019 19.000 0.094 0.000 1.282 1291 A HN 0.249 nan 8.150 nan 0.000 0.399 1292 V N 1.716 121.639 119.914 0.015 0.000 2.628 1292 V HA 0.621 4.741 4.120 0.001 0.000 0.306 1292 V C -0.050 176.005 176.094 -0.065 0.000 1.045 1292 V CA -0.656 61.614 62.300 -0.050 0.000 0.905 1292 V CB 1.946 33.761 31.823 -0.014 0.000 0.997 1292 V HN 0.951 nan 8.190 nan 0.000 0.436 1293 N N 2.072 120.698 118.700 -0.124 0.000 2.410 1293 N HA 0.721 5.462 4.740 0.001 0.000 0.287 1293 N C -0.870 174.600 175.510 -0.066 0.000 1.044 1293 N CA -0.341 52.681 53.050 -0.047 0.000 0.881 1293 N CB 1.690 40.170 38.487 -0.012 0.000 1.405 1293 N HN 0.940 nan 8.380 nan 0.000 0.490 1294 A N 3.009 125.831 122.820 0.004 0.000 2.330 1294 A HA 0.499 4.820 4.320 0.001 0.000 0.327 1294 A C -0.594 177.068 177.584 0.131 0.000 1.155 1294 A CA -0.688 51.384 52.037 0.059 0.000 0.803 1294 A CB 0.634 19.663 19.000 0.049 0.000 1.208 1294 A HN 0.872 nan 8.150 nan 0.000 0.477 1295 N N -0.124 118.681 118.700 0.175 0.000 2.478 1295 N HA 0.730 5.471 4.740 0.001 0.000 0.275 1295 N C -1.319 174.420 175.510 0.381 0.000 1.221 1295 N CA -0.188 53.000 53.050 0.230 0.000 0.979 1295 N CB 1.244 39.806 38.487 0.126 0.000 1.202 1295 N HN 0.591 nan 8.380 nan 0.000 0.564 1296 F N 0.539 120.619 119.950 0.218 0.000 2.651 1296 F HA 0.350 4.878 4.527 0.001 0.000 0.329 1296 F C -1.390 174.572 175.800 0.270 0.000 1.186 1296 F CA -0.672 57.467 58.000 0.231 0.000 1.046 1296 F CB 1.173 40.267 39.000 0.157 0.000 1.296 1296 F HN 0.260 nan 8.300 nan 0.000 0.497 1297 R N 5.450 125.761 120.500 -0.314 0.000 2.451 1297 R HA 0.326 4.667 4.340 0.001 0.000 0.307 1297 R C -2.112 174.071 176.300 -0.196 0.000 0.965 1297 R CA -0.758 55.281 56.100 -0.101 0.000 0.865 1297 R CB 1.142 31.423 30.300 -0.031 0.000 1.174 1297 R HN 0.719 nan 8.270 nan 0.000 0.455 1298 Y N 3.234 123.469 120.300 -0.109 0.000 2.518 1298 Y HA 0.324 4.875 4.550 0.001 0.000 0.344 1298 Y C -0.938 175.110 175.900 0.247 0.000 0.982 1298 Y CA -0.136 57.973 58.100 0.015 0.000 1.234 1298 Y CB 1.063 39.569 38.460 0.078 0.000 1.114 1298 Y HN 0.423 nan 8.280 nan 0.000 0.515 1299 S N 7.340 122.977 115.700 -0.106 0.000 2.462 1299 S HA 0.710 5.181 4.470 0.001 0.000 0.294 1299 S C -1.128 173.395 174.600 -0.127 0.000 1.144 1299 S CA -0.386 57.787 58.200 -0.045 0.000 1.088 1299 S CB 0.078 63.275 63.200 -0.005 0.000 1.009 1299 S HN 0.584 nan 8.310 nan 0.000 0.484 1300 F N 0.469 120.208 119.950 -0.352 0.000 2.685 1300 F HA 0.959 5.486 4.527 0.001 0.000 0.315 1300 F C -0.016 175.701 175.800 -0.137 0.000 1.126 1300 F CA -1.098 56.722 58.000 -0.299 0.000 0.950 1300 F CB 0.797 39.540 39.000 -0.428 0.000 1.360 1300 F HN 0.632 nan 8.300 nan 0.000 0.469 1301 G N 0.000 108.755 108.800 -0.075 0.000 5.446 1301 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 1301 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1301 G CA 0.000 45.168 45.100 0.113 0.000 0.502 1301 G HN 0.000 nan 8.290 nan 0.000 0.925