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 2ayl_1_B DATA FIRST_RESID 1032 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDCTR TGYSGPNCTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVRS NLIPSPPTYN DATA SEQUENCE IAHDYISWES FSNVSYYTRI LPSVPRDcPT PMGTKGKKQL PDAEFLSRRF DATA SEQUENCE LLRRKFIPDP QGTNLMFAFF AQHFTHQFFK TSGKMGPGFT KALGHGVDLG DATA SEQUENCE HIYGDNLERQ YQLRLFKDGK LKYQMLNGEV YPPSVEEAPV LMHYPRGIPP DATA SEQUENCE QSQMAVGQEV FGLLPGLMLY ATIWLREHNR VCDLLKAEHP TWGDEQLFQT DATA SEQUENCE ARLILIGETI KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFSL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD 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 1032 P HA 0.000 nan 4.420 nan 0.000 0.216 1032 P C 0.000 177.326 177.300 0.043 0.000 1.155 1032 P CA 0.000 63.124 63.100 0.041 0.000 0.800 1032 P CB 0.000 31.723 31.700 0.039 0.000 0.726 1033 V N 2.563 122.513 119.914 0.060 0.000 2.521 1033 V HA 0.212 4.332 4.120 -0.000 0.000 0.286 1033 V C 0.466 176.599 176.094 0.065 0.000 1.034 1033 V CA -0.267 62.064 62.300 0.051 0.000 1.045 1033 V CB 0.627 32.496 31.823 0.076 0.000 0.974 1033 V HN 0.685 nan 8.190 nan 0.000 0.480 1034 N N 9.600 128.306 118.700 0.011 0.000 2.386 1034 N HA 0.054 4.794 4.740 -0.000 0.000 0.273 1034 N C -1.145 174.382 175.510 0.028 0.000 1.331 1034 N CA -1.073 51.983 53.050 0.010 0.000 0.891 1034 N CB 1.191 39.656 38.487 -0.036 0.000 1.139 1034 N HN 0.541 nan 8.380 nan 0.000 0.487 1035 P HA -0.105 nan 4.420 nan 0.000 0.219 1035 P C 0.900 178.182 177.300 -0.031 0.000 1.146 1035 P CA 0.906 64.086 63.100 0.133 0.000 0.808 1035 P CB 0.041 31.837 31.700 0.158 0.000 0.779 1036 c N -0.845 117.701 118.600 -0.089 0.000 2.466 1036 c HA -0.015 4.555 4.570 -0.000 0.000 0.283 1036 c C 2.869 176.793 174.090 -0.277 0.000 1.472 1036 c CA 0.233 56.471 56.329 -0.152 0.000 1.765 1036 c CB -2.385 40.087 42.510 -0.064 0.000 1.724 1036 c HN 0.351 nan 8.230 nan 0.000 0.560 1037 c N -0.616 117.779 118.600 -0.342 0.000 2.437 1037 c HA -0.069 4.501 4.570 -0.000 0.000 0.283 1037 c C 1.955 175.471 174.090 -0.958 0.000 1.424 1037 c CA 0.642 56.596 56.329 -0.625 0.000 1.782 1037 c CB -1.612 40.576 42.510 -0.536 0.000 1.833 1037 c HN 0.710 nan 8.230 nan 0.000 0.532 1038 Y N -1.884 118.095 120.300 -0.535 0.000 2.466 1038 Y HA 0.165 4.715 4.550 -0.000 0.000 0.272 1038 Y C 0.566 176.253 175.900 -0.355 0.000 1.169 1038 Y CA -0.164 57.682 58.100 -0.423 0.000 1.285 1038 Y CB -0.620 37.692 38.460 -0.247 0.000 1.078 1038 Y HN 0.231 nan 8.280 nan 0.000 0.523 1039 Y N -1.071 119.206 120.300 -0.039 0.000 3.078 1039 Y HA -0.224 4.326 4.550 -0.000 0.000 0.202 1039 Y C -1.456 174.384 175.900 -0.099 0.000 1.322 1039 Y CA -0.538 57.511 58.100 -0.086 0.000 1.118 1039 Y CB -2.056 36.350 38.460 -0.089 0.000 1.343 1039 Y HN 0.224 nan 8.280 nan 0.000 0.499 1040 P HA -0.109 nan 4.420 nan 0.000 0.217 1040 P C 0.414 177.686 177.300 -0.047 0.000 1.150 1040 P CA 1.243 64.272 63.100 -0.119 0.000 0.832 1040 P CB 0.137 31.592 31.700 -0.408 0.000 0.787 1041 c N 2.923 121.505 118.600 -0.029 0.000 2.566 1041 c HA 0.282 4.852 4.570 -0.000 0.000 0.393 1041 c C 0.881 174.931 174.090 -0.067 0.000 1.309 1041 c CA -0.602 55.730 56.329 0.005 0.000 1.801 1041 c CB -0.905 41.634 42.510 0.049 0.000 2.493 1041 c HN 0.288 nan 8.230 nan 0.000 0.575 1042 Q N 0.493 120.219 119.800 -0.123 0.000 2.169 1042 Q HA 0.269 4.609 4.340 -0.000 0.000 0.234 1042 Q C 0.372 176.180 176.000 -0.320 0.000 0.980 1042 Q CA -0.575 55.029 55.803 -0.331 0.000 0.941 1042 Q CB 0.194 28.627 28.738 -0.509 0.000 1.199 1042 Q HN 0.909 nan 8.270 nan 0.000 0.496 1043 H N 0.536 119.450 119.070 -0.260 0.000 2.557 1043 H HA -0.231 4.325 4.556 -0.000 0.000 0.319 1043 H C -0.259 174.991 175.328 -0.131 0.000 1.102 1043 H CA 0.849 56.739 56.048 -0.263 0.000 1.126 1043 H CB -1.569 27.850 29.762 -0.572 0.000 1.498 1043 H HN 0.627 nan 8.280 nan 0.000 0.411 1044 Q N -3.374 116.384 119.800 -0.070 0.000 2.424 1044 Q HA -0.152 4.188 4.340 -0.000 0.000 0.234 1044 Q C 1.037 177.043 176.000 0.010 0.000 0.748 1044 Q CA 0.721 56.499 55.803 -0.042 0.000 1.286 1044 Q CB -1.382 27.337 28.738 -0.032 0.000 1.494 1044 Q HN 0.791 nan 8.270 nan 0.000 0.683 1045 G N 0.681 109.491 108.800 0.016 0.000 2.491 1045 G HA2 0.457 4.417 3.960 -0.000 0.000 0.242 1045 G HA3 0.457 4.417 3.960 -0.000 0.000 0.242 1045 G C -0.058 174.882 174.900 0.067 0.000 1.266 1045 G CA -0.395 44.739 45.100 0.057 0.000 0.844 1045 G HN 0.205 nan 8.290 nan 0.000 0.571 1046 I N 0.978 121.608 120.570 0.100 0.000 2.312 1046 I HA 0.163 4.333 4.170 -0.000 0.000 0.290 1046 I C 0.353 176.551 176.117 0.134 0.000 1.008 1046 I CA -0.571 60.801 61.300 0.120 0.000 1.226 1046 I CB 1.522 39.610 38.000 0.147 0.000 1.371 1046 I HN 0.357 nan 8.210 nan 0.000 0.468 1047 c N 7.983 126.651 118.600 0.114 0.000 2.566 1047 c HA 0.522 5.092 4.570 -0.000 0.000 0.393 1047 c C 0.221 174.395 174.090 0.140 0.000 1.309 1047 c CA -0.096 56.316 56.329 0.140 0.000 1.801 1047 c CB -0.669 41.875 42.510 0.057 0.000 2.493 1047 c HN 0.580 nan 8.230 nan 0.000 0.575 1048 V N 7.406 127.454 119.914 0.222 0.000 2.656 1048 V HA 0.480 4.600 4.120 -0.000 0.000 0.307 1048 V C 0.032 176.248 176.094 0.202 0.000 1.051 1048 V CA -0.711 61.679 62.300 0.150 0.000 0.893 1048 V CB 1.767 33.690 31.823 0.166 0.000 0.999 1048 V HN 0.827 nan 8.190 nan 0.000 0.426 1049 R N 2.669 123.184 120.500 0.025 0.000 2.298 1049 R HA 0.540 4.880 4.340 -0.000 0.000 0.310 1049 R C -1.515 174.717 176.300 -0.113 0.000 1.068 1049 R CA 0.073 56.203 56.100 0.050 0.000 0.957 1049 R CB 0.454 30.750 30.300 -0.006 0.000 1.003 1049 R HN 0.570 nan 8.270 nan 0.000 0.454 1050 F N 2.830 122.800 119.950 0.035 0.000 2.540 1050 F HA 0.493 5.020 4.527 -0.000 0.000 0.317 1050 F C 0.964 176.766 175.800 0.003 0.000 1.104 1050 F CA 0.381 58.384 58.000 0.005 0.000 0.913 1050 F CB 2.265 41.258 39.000 -0.012 0.000 1.170 1050 F HN 0.836 nan 8.300 nan 0.000 0.450 1051 G N 2.550 111.440 108.800 0.150 0.000 2.641 1051 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 1051 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 1051 G C 0.598 175.532 174.900 0.057 0.000 1.315 1051 G CA -0.037 45.118 45.100 0.091 0.000 0.907 1051 G HN 0.714 nan 8.290 nan 0.000 0.572 1052 L N 0.520 121.771 121.223 0.047 0.000 2.240 1052 L HA 0.151 4.491 4.340 -0.000 0.000 0.211 1052 L C 1.984 178.884 176.870 0.049 0.000 1.106 1052 L CA 2.038 56.900 54.840 0.037 0.000 0.793 1052 L CB -0.280 41.796 42.059 0.028 0.000 0.927 1052 L HN 0.798 nan 8.230 nan 0.000 0.446 1053 D N -2.554 117.885 120.400 0.064 0.000 2.530 1053 D HA 0.063 4.703 4.640 -0.000 0.000 0.253 1053 D C 0.608 176.976 176.300 0.114 0.000 1.338 1053 D CA -0.293 53.756 54.000 0.081 0.000 0.806 1053 D CB 0.279 41.117 40.800 0.064 0.000 1.160 1053 D HN 0.053 nan 8.370 nan 0.000 0.514 1054 R N -0.064 120.507 120.500 0.118 0.000 2.608 1054 R HA 0.644 4.984 4.340 -0.000 0.000 0.255 1054 R C -0.739 175.699 176.300 0.230 0.000 1.086 1054 R CA -0.791 55.379 56.100 0.116 0.000 1.125 1054 R CB 0.893 31.217 30.300 0.041 0.000 1.193 1054 R HN 0.177 nan 8.270 nan 0.000 0.553 1055 Y N -2.245 118.128 120.300 0.121 0.000 2.609 1055 Y HA 0.418 4.968 4.550 -0.000 0.000 0.336 1055 Y C -1.728 174.250 175.900 0.129 0.000 1.129 1055 Y CA -1.118 57.081 58.100 0.164 0.000 1.040 1055 Y CB 1.566 40.088 38.460 0.103 0.000 1.310 1055 Y HN 0.421 nan 8.280 nan 0.000 0.460 1056 Q N 1.888 121.836 119.800 0.246 0.000 2.359 1056 Q HA 0.643 4.983 4.340 -0.000 0.000 0.274 1056 Q C -1.685 174.466 176.000 0.252 0.000 1.074 1056 Q CA -0.958 54.870 55.803 0.042 0.000 0.810 1056 Q CB 2.998 31.644 28.738 -0.154 0.000 1.342 1056 Q HN 0.871 nan 8.270 nan 0.000 0.427 1057 c N 1.478 120.188 118.600 0.183 0.000 2.295 1057 c HA 0.295 4.865 4.570 -0.000 0.000 0.331 1057 c C -0.077 174.087 174.090 0.123 0.000 1.280 1057 c CA -0.581 55.861 56.329 0.190 0.000 1.746 1057 c CB 0.419 43.043 42.510 0.190 0.000 2.328 1057 c HN 0.675 nan 8.230 nan 0.000 0.521 1058 D N 1.975 122.452 120.400 0.129 0.000 2.411 1058 D HA 0.204 4.844 4.640 -0.000 0.000 0.225 1058 D C 0.476 176.833 176.300 0.096 0.000 1.156 1058 D CA -0.311 53.751 54.000 0.105 0.000 0.874 1058 D CB 0.559 41.428 40.800 0.116 0.000 1.034 1058 D HN 0.643 nan 8.370 nan 0.000 0.502 1059 C N 2.685 122.038 119.300 0.089 0.000 2.673 1059 C HA 0.128 4.588 4.460 -0.000 0.000 0.274 1059 C C 0.896 175.943 174.990 0.094 0.000 1.276 1059 C CA -0.365 58.714 59.018 0.102 0.000 1.701 1059 C CB -1.614 26.195 27.740 0.116 0.000 1.836 1059 C HN 0.544 nan 8.230 nan 0.000 0.596 1060 T N 1.898 116.497 114.554 0.075 0.000 2.765 1060 T HA -0.014 4.336 4.350 -0.000 0.000 0.275 1060 T C 0.951 175.688 174.700 0.062 0.000 1.007 1060 T CA 0.782 62.919 62.100 0.061 0.000 1.175 1060 T CB -0.115 68.784 68.868 0.052 0.000 0.993 1060 T HN 0.635 nan 8.240 nan 0.000 0.510 1061 R N 0.194 120.728 120.500 0.057 0.000 3.946 1061 R HA -0.223 4.117 4.340 -0.000 0.000 0.329 1061 R C 1.670 178.014 176.300 0.074 0.000 1.209 1061 R CA 1.254 57.386 56.100 0.053 0.000 0.909 1061 R CB -2.238 28.083 30.300 0.034 0.000 1.355 1061 R HN 0.921 nan 8.270 nan 0.000 0.539 1062 T N -4.798 109.824 114.554 0.114 0.000 3.067 1062 T HA 0.245 4.595 4.350 -0.000 0.000 0.257 1062 T C 1.508 176.357 174.700 0.248 0.000 1.105 1062 T CA 0.867 63.076 62.100 0.182 0.000 1.104 1062 T CB 0.810 69.811 68.868 0.222 0.000 0.925 1062 T HN 0.685 nan 8.240 nan 0.000 0.498 1063 G N 0.193 109.075 108.800 0.137 0.000 2.175 1063 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 1063 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 1063 G C -0.196 174.591 174.900 -0.189 0.000 0.982 1063 G CA 0.178 45.267 45.100 -0.019 0.000 0.641 1063 G HN 0.625 nan 8.290 nan 0.000 0.527 1064 Y N 0.351 120.662 120.300 0.018 0.000 2.634 1064 Y HA 0.746 5.296 4.550 -0.000 0.000 0.340 1064 Y C 0.628 176.552 175.900 0.040 0.000 1.058 1064 Y CA -0.352 57.762 58.100 0.022 0.000 1.081 1064 Y CB 2.107 40.586 38.460 0.031 0.000 1.295 1064 Y HN 0.551 nan 8.280 nan 0.000 0.487 1065 S N -0.473 115.356 115.700 0.214 0.000 2.851 1065 S HA 0.947 5.417 4.470 -0.000 0.000 0.313 1065 S C -0.179 174.496 174.600 0.124 0.000 1.163 1065 S CA -0.462 57.815 58.200 0.128 0.000 0.850 1065 S CB 1.481 64.722 63.200 0.069 0.000 1.245 1065 S HN 1.859 nan 8.310 nan 0.000 0.558 1066 G N 0.511 109.356 108.800 0.076 0.000 2.699 1066 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 1066 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 1066 G C -2.365 172.571 174.900 0.059 0.000 1.301 1066 G CA -0.308 44.829 45.100 0.062 0.000 0.816 1066 G HN 0.618 nan 8.290 nan 0.000 0.595 1067 P HA -0.101 nan 4.420 nan 0.000 0.217 1067 P C 1.175 178.541 177.300 0.110 0.000 1.151 1067 P CA 1.795 64.916 63.100 0.035 0.000 0.849 1067 P CB 0.054 31.763 31.700 0.016 0.000 0.787 1068 N N -3.109 115.659 118.700 0.113 0.000 2.234 1068 N HA 0.073 4.813 4.740 -0.000 0.000 0.227 1068 N C -0.264 175.297 175.510 0.086 0.000 1.151 1068 N CA -0.228 52.894 53.050 0.119 0.000 0.865 1068 N CB -0.543 38.001 38.487 0.095 0.000 1.066 1068 N HN -0.022 nan 8.380 nan 0.000 0.515 1069 C N 0.957 120.324 119.300 0.112 0.000 4.454 1069 C HA -0.156 4.304 4.460 -0.000 0.000 0.301 1069 C C 1.654 176.733 174.990 0.149 0.000 1.366 1069 C CA 1.361 60.464 59.018 0.142 0.000 2.016 1069 C CB -2.534 25.265 27.740 0.097 0.000 1.253 1069 C HN 0.651 nan 8.230 nan 0.000 0.770 1070 T N -3.541 111.123 114.554 0.183 0.000 3.003 1070 T HA 0.378 4.728 4.350 -0.000 0.000 0.261 1070 T C 0.330 175.240 174.700 0.350 0.000 1.003 1070 T CA 0.056 62.290 62.100 0.222 0.000 0.917 1070 T CB 0.026 68.978 68.868 0.140 0.000 1.084 1070 T HN 0.614 nan 8.240 nan 0.000 0.522 1071 I N 4.835 125.586 120.570 0.303 0.000 2.291 1071 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 1071 I C -2.307 173.919 176.117 0.182 0.000 1.064 1071 I CA -2.570 58.852 61.300 0.204 0.000 1.269 1071 I CB 1.090 39.151 38.000 0.102 0.000 1.418 1071 I HN 0.033 nan 8.210 nan 0.000 0.485 1072 P HA 0.195 nan 4.420 nan 0.000 0.278 1072 P C -0.604 176.592 177.300 -0.173 0.000 1.238 1072 P CA -0.350 62.586 63.100 -0.273 0.000 0.794 1072 P CB 1.083 32.660 31.700 -0.206 0.000 0.955 1073 E N 0.822 120.890 120.200 -0.221 0.000 2.342 1073 E HA 0.112 4.462 4.350 -0.000 0.000 0.257 1073 E C 1.335 177.889 176.600 -0.077 0.000 1.150 1073 E CA -0.675 55.660 56.400 -0.109 0.000 0.926 1073 E CB 0.321 29.985 29.700 -0.060 0.000 1.074 1073 E HN 0.260 nan 8.360 nan 0.000 0.449 1074 I N -0.124 120.383 120.570 -0.104 0.000 2.127 1074 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 1074 I C 1.882 177.954 176.117 -0.075 0.000 1.075 1074 I CA 1.632 62.836 61.300 -0.160 0.000 1.334 1074 I CB -0.416 37.370 38.000 -0.356 0.000 1.040 1074 I HN 0.623 nan 8.210 nan 0.000 0.405 1075 W N 0.311 121.621 121.300 0.018 0.000 2.363 1075 W HA -0.198 4.462 4.660 -0.000 0.000 0.296 1075 W C 2.727 179.239 176.519 -0.012 0.000 1.212 1075 W CA 1.384 58.737 57.345 0.014 0.000 1.260 1075 W CB -0.949 28.506 29.460 -0.009 0.000 1.131 1075 W HN 0.003 nan 8.180 nan 0.000 0.530 1076 T N -0.677 113.962 114.554 0.142 0.000 2.708 1076 T HA -0.293 4.057 4.350 -0.000 0.000 0.266 1076 T C 1.152 175.848 174.700 -0.007 0.000 1.037 1076 T CA 1.650 63.726 62.100 -0.040 0.000 1.146 1076 T CB -0.817 67.833 68.868 -0.364 0.000 0.865 1076 T HN 0.349 nan 8.240 nan 0.000 0.435 1077 W N 1.667 122.878 121.300 -0.149 0.000 2.358 1077 W HA -0.052 4.607 4.660 -0.000 0.000 0.303 1077 W C 1.780 178.273 176.519 -0.044 0.000 1.208 1077 W CA 0.934 58.218 57.345 -0.100 0.000 1.274 1077 W CB -0.512 28.881 29.460 -0.111 0.000 1.138 1077 W HN 0.165 nan 8.180 nan 0.000 0.515 1078 L N 0.151 121.445 121.223 0.119 0.000 2.017 1078 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 1078 L C 2.785 179.591 176.870 -0.105 0.000 1.073 1078 L CA 1.879 56.695 54.840 -0.041 0.000 0.745 1078 L CB -1.072 41.072 42.059 0.141 0.000 0.894 1078 L HN -0.035 nan 8.230 nan 0.000 0.432 1079 R N 0.079 120.588 120.500 0.014 0.000 2.091 1079 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 1079 R C 2.355 178.614 176.300 -0.069 0.000 1.136 1079 R CA 2.230 58.334 56.100 0.006 0.000 0.959 1079 R CB -0.286 30.045 30.300 0.052 0.000 0.856 1079 R HN 0.525 nan 8.270 nan 0.000 0.437 1080 T N -3.396 111.086 114.554 -0.120 0.000 2.985 1080 T HA 0.015 4.365 4.350 -0.000 0.000 0.266 1080 T C 1.712 176.269 174.700 -0.237 0.000 1.076 1080 T CA 1.354 63.376 62.100 -0.130 0.000 1.135 1080 T CB -0.001 68.819 68.868 -0.081 0.000 0.890 1080 T HN 0.142 nan 8.240 nan 0.000 0.480 1081 T N 1.826 116.122 114.554 -0.430 0.000 2.978 1081 T HA 0.225 4.575 4.350 -0.000 0.000 0.262 1081 T C 1.435 175.943 174.700 -0.320 0.000 1.063 1081 T CA 0.565 62.350 62.100 -0.525 0.000 1.140 1081 T CB -0.171 68.051 68.868 -1.077 0.000 0.886 1081 T HN 0.182 nan 8.240 nan 0.000 0.470 1082 L N 0.381 121.460 121.223 -0.240 0.000 2.477 1082 L HA 0.275 4.615 4.340 -0.000 0.000 0.220 1082 L C 1.285 178.095 176.870 -0.100 0.000 1.106 1082 L CA 0.393 55.146 54.840 -0.145 0.000 0.851 1082 L CB -0.401 41.604 42.059 -0.089 0.000 0.994 1082 L HN 0.062 nan 8.230 nan 0.000 0.462 1083 R N 2.918 123.368 120.500 -0.084 0.000 2.421 1083 R HA 0.114 4.454 4.340 -0.000 0.000 0.305 1083 R C -2.147 174.127 176.300 -0.044 0.000 1.039 1083 R CA -1.127 54.950 56.100 -0.037 0.000 1.003 1083 R CB 0.271 30.562 30.300 -0.016 0.000 0.959 1083 R HN 0.019 nan 8.270 nan 0.000 0.427 1084 P HA 0.028 nan 4.420 nan 0.000 0.274 1084 P C -0.611 176.724 177.300 0.059 0.000 1.237 1084 P CA -0.420 62.660 63.100 -0.034 0.000 0.793 1084 P CB 0.940 32.645 31.700 0.008 0.000 0.977 1085 S N 1.057 116.799 115.700 0.070 0.000 2.576 1085 S HA 0.096 4.566 4.470 -0.000 0.000 0.272 1085 S C -1.652 173.053 174.600 0.175 0.000 1.352 1085 S CA -0.630 57.633 58.200 0.105 0.000 1.021 1085 S CB -0.299 62.960 63.200 0.098 0.000 0.887 1085 S HN 0.261 nan 8.310 nan 0.000 0.542 1086 P HA -0.063 nan 4.420 nan 0.000 0.218 1086 P C 1.739 179.183 177.300 0.240 0.000 1.148 1086 P CA 1.231 64.443 63.100 0.187 0.000 0.822 1086 P CB -0.066 31.735 31.700 0.167 0.000 0.784 1087 S N -1.847 114.006 115.700 0.254 0.000 2.368 1087 S HA -0.153 4.316 4.470 -0.000 0.000 0.224 1087 S C 1.741 176.475 174.600 0.223 0.000 1.029 1087 S CA 0.786 59.142 58.200 0.260 0.000 0.988 1087 S CB -0.994 62.349 63.200 0.239 0.000 0.838 1087 S HN 0.030 nan 8.310 nan 0.000 0.462 1088 F N 1.804 121.813 119.950 0.099 0.000 2.146 1088 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 1088 F C 1.803 177.688 175.800 0.141 0.000 1.096 1088 F CA 1.375 59.429 58.000 0.091 0.000 1.275 1088 F CB -0.224 38.795 39.000 0.033 0.000 1.008 1088 F HN 0.200 nan 8.300 nan 0.000 0.480 1089 I N -0.437 120.252 120.570 0.198 0.000 2.315 1089 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 1089 I C 2.326 178.385 176.117 -0.097 0.000 1.117 1089 I CA 1.601 62.938 61.300 0.062 0.000 1.404 1089 I CB -0.723 37.345 38.000 0.113 0.000 1.071 1089 I HN 0.214 nan 8.210 nan 0.000 0.419 1090 H N 0.746 119.731 119.070 -0.142 0.000 2.353 1090 H HA -0.258 4.298 4.556 -0.000 0.000 0.300 1090 H C 1.989 177.167 175.328 -0.251 0.000 1.090 1090 H CA 1.899 57.781 56.048 -0.277 0.000 1.327 1090 H CB -0.204 29.258 29.762 -0.500 0.000 1.383 1090 H HN 0.302 nan 8.280 nan 0.000 0.508 1091 F N 0.048 119.849 119.950 -0.249 0.000 2.075 1091 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 1091 F C 1.912 177.588 175.800 -0.207 0.000 1.113 1091 F CA 1.100 58.982 58.000 -0.198 0.000 1.218 1091 F CB -0.599 38.214 39.000 -0.312 0.000 0.984 1091 F HN 0.179 nan 8.300 nan 0.000 0.472 1092 L N 0.487 121.543 121.223 -0.279 0.000 2.043 1092 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 1092 L C 2.281 179.081 176.870 -0.116 0.000 1.075 1092 L CA 1.713 56.426 54.840 -0.212 0.000 0.752 1092 L CB -1.166 40.827 42.059 -0.111 0.000 0.891 1092 L HN 0.240 nan 8.230 nan 0.000 0.432 1093 L N -1.217 119.762 121.223 -0.406 0.000 2.465 1093 L HA -0.077 4.263 4.340 -0.000 0.000 0.224 1093 L C 1.324 177.555 176.870 -1.066 0.000 1.145 1093 L CA 1.155 55.508 54.840 -0.811 0.000 0.834 1093 L CB -0.614 40.695 42.059 -1.250 0.000 0.944 1093 L HN 0.439 nan 8.230 nan 0.000 0.451 1094 T N -5.034 108.906 114.554 -1.023 0.000 3.252 1094 T HA 0.261 4.611 4.350 -0.000 0.000 0.286 1094 T C 0.264 173.979 174.700 -1.642 0.000 1.013 1094 T CA -0.423 60.771 62.100 -1.510 0.000 0.914 1094 T CB -0.061 68.146 68.868 -1.101 0.000 1.131 1094 T HN 0.087 nan 8.240 nan 0.000 0.529 1095 H N -0.130 118.467 119.070 -0.787 0.000 2.980 1095 H HA 0.513 5.069 4.556 -0.000 0.000 0.367 1095 H C 0.651 176.052 175.328 0.122 0.000 1.206 1095 H CA -0.346 55.526 56.048 -0.293 0.000 1.126 1095 H CB 1.724 31.065 29.762 -0.701 0.000 1.838 1095 H HN 0.329 nan 8.280 nan 0.000 0.552 1096 G N 2.233 111.206 108.800 0.288 0.000 2.326 1096 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.286 1096 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.286 1096 G C 1.264 176.114 174.900 -0.083 0.000 1.096 1096 G CA 0.269 45.348 45.100 -0.035 0.000 1.003 1096 G HN 0.461 nan 8.290 nan 0.000 0.503 1097 R N 0.095 120.648 120.500 0.088 0.000 2.103 1097 R HA -0.131 4.209 4.340 -0.000 0.000 0.242 1097 R C 2.694 178.940 176.300 -0.090 0.000 1.142 1097 R CA 2.473 58.467 56.100 -0.178 0.000 0.960 1097 R CB -0.629 29.416 30.300 -0.424 0.000 0.858 1097 R HN 0.933 nan 8.270 nan 0.000 0.439 1098 W N 0.185 121.494 121.300 0.014 0.000 2.338 1098 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 1098 W C 1.510 178.046 176.519 0.028 0.000 1.212 1098 W CA 0.398 57.748 57.345 0.009 0.000 1.264 1098 W CB -1.290 28.164 29.460 -0.011 0.000 1.142 1098 W HN 0.033 nan 8.180 nan 0.000 0.512 1099 L N 0.139 120.689 121.223 -1.121 0.000 2.109 1099 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 1099 L C 2.265 178.843 176.870 -0.486 0.000 1.086 1099 L CA 1.545 55.758 54.840 -1.046 0.000 0.760 1099 L CB -1.229 39.772 42.059 -1.763 0.000 0.910 1099 L HN -0.023 nan 8.230 nan 0.000 0.437 1100 W N 0.031 121.157 121.300 -0.290 0.000 2.388 1100 W HA -0.156 4.504 4.660 -0.000 0.000 0.294 1100 W C 2.299 178.776 176.519 -0.071 0.000 1.212 1100 W CA 0.852 58.120 57.345 -0.128 0.000 1.271 1100 W CB -0.212 29.215 29.460 -0.056 0.000 1.126 1100 W HN 0.154 nan 8.180 nan 0.000 0.535 1101 D N -0.284 120.201 120.400 0.141 0.000 2.123 1101 D HA -0.224 4.416 4.640 -0.000 0.000 0.196 1101 D C 1.761 178.118 176.300 0.094 0.000 0.992 1101 D CA 1.390 55.447 54.000 0.095 0.000 0.833 1101 D CB -0.885 39.961 40.800 0.076 0.000 0.954 1101 D HN 0.130 nan 8.370 nan 0.000 0.455 1102 F N 1.388 121.329 119.950 -0.015 0.000 2.102 1102 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 1102 F C 2.216 177.982 175.800 -0.057 0.000 1.105 1102 F CA 1.089 59.074 58.000 -0.024 0.000 1.239 1102 F CB -0.295 38.692 39.000 -0.022 0.000 0.991 1102 F HN -0.224 nan 8.300 nan 0.000 0.474 1103 V N 1.153 121.085 119.914 0.030 0.000 2.343 1103 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 1103 V C 2.103 178.132 176.094 -0.108 0.000 1.051 1103 V CA 2.120 64.366 62.300 -0.091 0.000 1.036 1103 V CB -0.890 30.893 31.823 -0.068 0.000 0.654 1103 V HN 0.393 nan 8.190 nan 0.000 0.451 1104 N N 0.606 119.310 118.700 0.006 0.000 2.348 1104 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 1104 N C 1.541 177.010 175.510 -0.068 0.000 1.019 1104 N CA 1.470 54.525 53.050 0.008 0.000 0.880 1104 N CB -0.274 38.245 38.487 0.053 0.000 0.965 1104 N HN 0.531 nan 8.380 nan 0.000 0.437 1105 A N 0.011 122.744 122.820 -0.146 0.000 2.251 1105 A HA 0.101 4.421 4.320 -0.000 0.000 0.209 1105 A C 1.091 178.557 177.584 -0.198 0.000 1.187 1105 A CA 0.306 52.247 52.037 -0.159 0.000 0.823 1105 A CB -0.185 18.708 19.000 -0.178 0.000 0.846 1105 A HN 0.357 nan 8.150 nan 0.000 0.486 1106 T N -4.781 109.626 114.554 -0.244 0.000 2.905 1106 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 1106 T C 0.803 175.409 174.700 -0.156 0.000 1.031 1106 T CA -0.063 61.901 62.100 -0.227 0.000 1.002 1106 T CB 0.457 69.078 68.868 -0.411 0.000 1.200 1106 T HN 0.589 nan 8.240 nan 0.000 0.560 1107 F N 0.266 120.183 119.950 -0.055 0.000 2.408 1107 F HA 0.153 4.680 4.527 -0.000 0.000 0.300 1107 F C 1.639 177.434 175.800 -0.009 0.000 1.090 1107 F CA 0.271 58.255 58.000 -0.027 0.000 1.427 1107 F CB -0.968 38.021 39.000 -0.018 0.000 1.070 1107 F HN 0.257 nan 8.300 nan 0.000 0.549 1108 I N 1.314 121.365 120.570 -0.863 0.000 2.335 1108 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 1108 I C 2.661 178.682 176.117 -0.160 0.000 1.129 1108 I CA 1.288 62.254 61.300 -0.558 0.000 1.402 1108 I CB -1.298 36.391 38.000 -0.518 0.000 1.069 1108 I HN 0.353 nan 8.210 nan 0.000 0.424 1109 R N 1.101 121.537 120.500 -0.107 0.000 2.091 1109 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 1109 R C 1.808 178.120 176.300 0.019 0.000 1.136 1109 R CA 1.918 58.016 56.100 -0.004 0.000 0.959 1109 R CB -0.044 30.253 30.300 -0.003 0.000 0.856 1109 R HN 0.277 nan 8.270 nan 0.000 0.437 1110 D N -0.442 119.973 120.400 0.025 0.000 2.117 1110 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 1110 D C 1.799 178.132 176.300 0.055 0.000 0.982 1110 D CA 1.713 55.737 54.000 0.041 0.000 0.828 1110 D CB -0.444 40.394 40.800 0.063 0.000 0.967 1110 D HN 0.259 nan 8.370 nan 0.000 0.464 1111 T N 1.320 115.926 114.554 0.087 0.000 2.684 1111 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 1111 T C 2.208 176.946 174.700 0.064 0.000 1.036 1111 T CA 0.705 62.864 62.100 0.097 0.000 1.148 1111 T CB -0.282 68.669 68.868 0.138 0.000 0.863 1111 T HN 0.129 nan 8.240 nan 0.000 0.436 1112 L N -0.217 121.040 121.223 0.056 0.000 2.109 1112 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 1112 L C 2.594 179.501 176.870 0.062 0.000 1.086 1112 L CA 0.858 55.740 54.840 0.070 0.000 0.760 1112 L CB -0.446 41.677 42.059 0.107 0.000 0.910 1112 L HN 0.260 nan 8.230 nan 0.000 0.437 1113 M N 0.072 119.703 119.600 0.051 0.000 2.132 1113 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 1113 M C 2.337 178.651 176.300 0.024 0.000 1.065 1113 M CA 1.680 57.005 55.300 0.043 0.000 1.122 1113 M CB -0.385 32.234 32.600 0.030 0.000 1.365 1113 M HN -0.005 nan 8.290 nan 0.000 0.411 1114 R N -0.481 120.026 120.500 0.013 0.000 2.081 1114 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 1114 R C 2.061 178.367 176.300 0.010 0.000 1.131 1114 R CA 1.681 57.777 56.100 -0.007 0.000 0.960 1114 R CB -0.573 29.726 30.300 -0.003 0.000 0.856 1114 R HN 0.439 nan 8.270 nan 0.000 0.436 1115 L N 0.457 121.700 121.223 0.032 0.000 2.017 1115 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 1115 L C 2.078 178.977 176.870 0.049 0.000 1.073 1115 L CA 1.563 56.427 54.840 0.041 0.000 0.745 1115 L CB -0.417 41.673 42.059 0.051 0.000 0.894 1115 L HN 0.032 nan 8.230 nan 0.000 0.432 1116 V N -0.636 119.313 119.914 0.058 0.000 2.287 1116 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 1116 V C 2.551 178.685 176.094 0.067 0.000 1.053 1116 V CA 1.672 64.017 62.300 0.075 0.000 1.027 1116 V CB -0.706 31.174 31.823 0.095 0.000 0.646 1116 V HN 0.359 nan 8.190 nan 0.000 0.447 1117 L N 0.747 121.995 121.223 0.042 0.000 1.989 1117 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 1117 L C 2.887 179.779 176.870 0.037 0.000 1.071 1117 L CA 2.880 57.733 54.840 0.020 0.000 0.749 1117 L CB -1.598 40.429 42.059 -0.054 0.000 0.890 1117 L HN 0.680 nan 8.230 nan 0.000 0.431 1118 T N -4.259 110.310 114.554 0.025 0.000 2.737 1118 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 1118 T C 1.944 176.687 174.700 0.072 0.000 1.038 1118 T CA 1.361 63.496 62.100 0.058 0.000 1.144 1118 T CB -0.944 67.946 68.868 0.037 0.000 0.866 1118 T HN 0.062 nan 8.240 nan 0.000 0.434 1119 V N 1.870 121.820 119.914 0.059 0.000 2.295 1119 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 1119 V C 3.150 179.285 176.094 0.068 0.000 1.049 1119 V CA 1.607 63.943 62.300 0.059 0.000 1.024 1119 V CB -0.635 31.224 31.823 0.060 0.000 0.648 1119 V HN 0.373 nan 8.190 nan 0.000 0.447 1120 R N 0.312 120.859 120.500 0.077 0.000 2.062 1120 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 1120 R C 2.555 178.896 176.300 0.069 0.000 1.136 1120 R CA 1.692 57.838 56.100 0.077 0.000 0.948 1120 R CB -1.311 29.038 30.300 0.081 0.000 0.845 1120 R HN 0.504 nan 8.270 nan 0.000 0.430 1121 S N 1.786 117.546 115.700 0.099 0.000 2.383 1121 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 1121 S C 1.534 176.170 174.600 0.059 0.000 1.030 1121 S CA 1.118 59.391 58.200 0.121 0.000 1.002 1121 S CB -0.282 63.105 63.200 0.313 0.000 0.829 1121 S HN 0.329 nan 8.310 nan 0.000 0.467 1122 N N 1.336 120.072 118.700 0.060 0.000 2.519 1122 N HA 0.025 4.765 4.740 -0.000 0.000 0.186 1122 N C 1.192 176.689 175.510 -0.022 0.000 1.062 1122 N CA 0.548 53.608 53.050 0.017 0.000 0.910 1122 N CB -0.310 38.194 38.487 0.028 0.000 0.958 1122 N HN 0.411 nan 8.380 nan 0.000 0.445 1123 L N 0.119 121.330 121.223 -0.021 0.000 2.554 1123 L HA 0.087 4.427 4.340 -0.000 0.000 0.226 1123 L C 0.053 176.847 176.870 -0.128 0.000 1.137 1123 L CA 0.307 55.100 54.840 -0.078 0.000 0.863 1123 L CB 0.178 42.226 42.059 -0.019 0.000 0.985 1123 L HN -0.032 nan 8.230 nan 0.000 0.451 1124 I N 1.780 122.298 120.570 -0.086 0.000 2.330 1124 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 1124 I C -1.995 174.065 176.117 -0.095 0.000 1.001 1124 I CA -2.702 58.546 61.300 -0.087 0.000 1.193 1124 I CB 0.862 38.827 38.000 -0.058 0.000 1.345 1124 I HN -0.163 nan 8.210 nan 0.000 0.461 1125 P HA 0.104 nan 4.420 nan 0.000 0.267 1125 P C -0.363 176.868 177.300 -0.115 0.000 1.205 1125 P CA -0.023 63.005 63.100 -0.120 0.000 0.765 1125 P CB 1.237 32.842 31.700 -0.157 0.000 0.828 1126 S N 3.153 118.778 115.700 -0.124 0.000 2.689 1126 S HA 0.429 4.899 4.470 -0.000 0.000 0.274 1126 S C -2.603 171.933 174.600 -0.106 0.000 1.176 1126 S CA -1.142 56.981 58.200 -0.129 0.000 1.014 1126 S CB 0.567 63.646 63.200 -0.202 0.000 1.071 1126 S HN 0.305 nan 8.310 nan 0.000 0.478 1127 P HA 0.282 nan 4.420 nan 0.000 0.269 1127 P C -2.692 174.581 177.300 -0.044 0.000 1.217 1127 P CA -0.953 62.144 63.100 -0.004 0.000 0.783 1127 P CB -0.522 31.235 31.700 0.095 0.000 0.898 1128 P HA -0.039 nan 4.420 nan 0.000 0.269 1128 P C 0.620 177.841 177.300 -0.131 0.000 1.215 1128 P CA 0.114 63.153 63.100 -0.102 0.000 0.780 1128 P CB 0.559 32.190 31.700 -0.115 0.000 0.898 1129 T N -0.236 114.167 114.554 -0.251 0.000 3.535 1129 T HA 0.134 4.484 4.350 -0.000 0.000 0.223 1129 T C 0.775 175.314 174.700 -0.268 0.000 0.933 1129 T CA 0.321 62.172 62.100 -0.414 0.000 1.445 1129 T CB -0.856 67.421 68.868 -0.985 0.000 1.286 1129 T HN 0.379 nan 8.240 nan 0.000 0.436 1130 Y N 2.922 123.184 120.300 -0.063 0.000 2.458 1130 Y HA 0.650 5.200 4.550 -0.000 0.000 0.322 1130 Y C 0.508 176.317 175.900 -0.151 0.000 1.259 1130 Y CA -1.311 56.720 58.100 -0.116 0.000 1.302 1130 Y CB 0.853 39.259 38.460 -0.089 0.000 1.314 1130 Y HN 0.616 nan 8.280 nan 0.000 0.509 1131 N N -0.816 117.850 118.700 -0.058 0.000 2.972 1131 N HA 0.164 4.904 4.740 -0.000 0.000 0.262 1131 N C -0.292 175.111 175.510 -0.178 0.000 1.478 1131 N CA -0.746 52.191 53.050 -0.187 0.000 0.841 1131 N CB 0.399 38.577 38.487 -0.515 0.000 1.512 1131 N HN 0.579 nan 8.380 nan 0.000 0.548 1132 I N -0.510 119.981 120.570 -0.132 0.000 2.530 1132 I HA -0.018 4.152 4.170 -0.000 0.000 0.257 1132 I C 1.619 177.693 176.117 -0.072 0.000 1.179 1132 I CA 1.779 63.041 61.300 -0.064 0.000 1.440 1132 I CB -0.828 37.150 38.000 -0.037 0.000 1.087 1132 I HN 0.731 nan 8.210 nan 0.000 0.440 1133 A N -1.627 121.069 122.820 -0.206 0.000 2.014 1133 A HA 0.106 4.426 4.320 -0.000 0.000 0.210 1133 A C 0.418 177.883 177.584 -0.197 0.000 1.188 1133 A CA 0.408 52.325 52.037 -0.201 0.000 0.731 1133 A CB -0.277 18.548 19.000 -0.292 0.000 0.858 1133 A HN 0.464 nan 8.150 nan 0.000 0.464 1134 H N 0.557 119.401 119.070 -0.378 0.000 2.708 1134 H HA 0.331 4.887 4.556 -0.000 0.000 0.320 1134 H C -1.245 173.691 175.328 -0.654 0.000 0.991 1134 H CA -1.292 54.318 56.048 -0.729 0.000 1.243 1134 H CB 0.994 30.207 29.762 -0.915 0.000 1.446 1134 H HN 0.166 nan 8.280 nan 0.000 0.502 1135 D N 3.902 124.008 120.400 -0.490 0.000 2.881 1135 D HA 0.069 4.709 4.640 -0.000 0.000 0.240 1135 D C -0.266 175.690 176.300 -0.573 0.000 1.249 1135 D CA 0.293 54.006 54.000 -0.478 0.000 0.839 1135 D CB -0.119 40.534 40.800 -0.245 0.000 1.042 1135 D HN 0.506 nan 8.370 nan 0.000 0.475 1136 Y N -2.929 117.229 120.300 -0.237 0.000 2.677 1136 Y HA 0.401 4.951 4.550 -0.000 0.000 0.334 1136 Y C -0.617 175.443 175.900 0.267 0.000 1.196 1136 Y CA -1.395 56.686 58.100 -0.032 0.000 1.059 1136 Y CB 0.379 38.798 38.460 -0.068 0.000 1.315 1136 Y HN -0.296 nan 8.280 nan 0.000 0.455 1137 I N 3.137 123.988 120.570 0.468 0.000 2.692 1137 I HA 0.413 4.583 4.170 -0.000 0.000 0.284 1137 I C 0.199 176.492 176.117 0.294 0.000 1.159 1137 I CA 0.501 61.977 61.300 0.293 0.000 1.423 1137 I CB 1.016 39.134 38.000 0.197 0.000 1.380 1137 I HN 0.804 nan 8.210 nan 0.000 0.580 1138 S N 5.453 121.280 115.700 0.211 0.000 2.565 1138 S HA 0.181 4.651 4.470 -0.000 0.000 0.269 1138 S C 0.114 174.855 174.600 0.235 0.000 1.153 1138 S CA -0.948 57.394 58.200 0.237 0.000 0.835 1138 S CB 1.216 64.537 63.200 0.201 0.000 1.122 1138 S HN 0.845 nan 8.310 nan 0.000 0.462 1139 W N 1.351 122.741 121.300 0.150 0.000 2.402 1139 W HA -0.072 4.588 4.660 -0.000 0.000 0.286 1139 W C 1.502 178.157 176.519 0.226 0.000 1.221 1139 W CA 2.237 59.691 57.345 0.182 0.000 1.257 1139 W CB -0.105 29.434 29.460 0.131 0.000 1.120 1139 W HN 1.043 nan 8.180 nan 0.000 0.551 1140 E N 0.298 120.655 120.200 0.261 0.000 2.106 1140 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 1140 E C 2.279 178.884 176.600 0.008 0.000 0.984 1140 E CA 1.983 58.494 56.400 0.184 0.000 0.806 1140 E CB -0.628 29.257 29.700 0.308 0.000 0.750 1140 E HN 0.006 nan 8.360 nan 0.000 0.458 1141 S N -1.220 114.481 115.700 0.003 0.000 2.383 1141 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 1141 S C 1.724 176.227 174.600 -0.161 0.000 1.026 1141 S CA 1.006 59.112 58.200 -0.156 0.000 0.981 1141 S CB -0.565 62.582 63.200 -0.089 0.000 0.818 1141 S HN 0.470 nan 8.310 nan 0.000 0.472 1142 F N 2.608 122.378 119.950 -0.300 0.000 2.146 1142 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 1142 F C 2.482 178.023 175.800 -0.432 0.000 1.096 1142 F CA 1.953 59.702 58.000 -0.418 0.000 1.275 1142 F CB -0.638 37.977 39.000 -0.643 0.000 1.008 1142 F HN 0.378 nan 8.300 nan 0.000 0.480 1143 S N -0.882 114.464 115.700 -0.590 0.000 2.456 1143 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 1143 S C 0.969 175.428 174.600 -0.234 0.000 1.035 1143 S CA 0.059 57.961 58.200 -0.497 0.000 0.940 1143 S CB -0.702 62.357 63.200 -0.234 0.000 0.799 1143 S HN 0.354 nan 8.310 nan 0.000 0.508 1144 N N 2.951 121.599 118.700 -0.086 0.000 2.448 1144 N HA 0.121 4.861 4.740 -0.000 0.000 0.250 1144 N C 0.846 176.395 175.510 0.066 0.000 1.136 1144 N CA 0.107 53.199 53.050 0.068 0.000 0.953 1144 N CB 1.421 40.074 38.487 0.277 0.000 1.251 1144 N HN 0.339 nan 8.380 nan 0.000 0.502 1145 V N 1.166 121.075 119.914 -0.008 0.000 3.510 1145 V HA 0.064 4.184 4.120 -0.000 0.000 0.270 1145 V C 1.480 177.673 176.094 0.165 0.000 1.201 1145 V CA 0.531 62.841 62.300 0.018 0.000 1.166 1145 V CB -0.391 31.424 31.823 -0.014 0.000 0.825 1145 V HN 0.384 nan 8.190 nan 0.000 0.484 1146 S N -0.736 115.023 115.700 0.099 0.000 2.522 1146 S HA 0.202 4.672 4.470 -0.000 0.000 0.227 1146 S C 0.331 174.941 174.600 0.016 0.000 0.986 1146 S CA 0.313 58.539 58.200 0.044 0.000 0.929 1146 S CB -0.378 62.832 63.200 0.017 0.000 0.769 1146 S HN 0.725 nan 8.310 nan 0.000 0.529 1147 Y N 0.396 120.678 120.300 -0.031 0.000 2.310 1147 Y HA 0.385 4.935 4.550 -0.000 0.000 0.326 1147 Y C 0.093 175.939 175.900 -0.089 0.000 1.151 1147 Y CA -1.075 56.889 58.100 -0.227 0.000 1.195 1147 Y CB 0.403 38.714 38.460 -0.248 0.000 1.210 1147 Y HN 0.038 nan 8.280 nan 0.000 0.483 1148 Y N 0.905 121.262 120.300 0.095 0.000 2.326 1148 Y HA 0.178 4.728 4.550 -0.000 0.000 0.333 1148 Y C 0.964 176.897 175.900 0.056 0.000 1.240 1148 Y CA -0.162 58.016 58.100 0.131 0.000 1.365 1148 Y CB 0.954 39.448 38.460 0.057 0.000 1.289 1148 Y HN 0.556 nan 8.280 nan 0.000 0.548 1149 T N 2.193 116.886 114.554 0.232 0.000 2.852 1149 T HA 0.725 5.075 4.350 -0.000 0.000 0.281 1149 T C -0.835 173.924 174.700 0.099 0.000 0.993 1149 T CA -0.741 61.409 62.100 0.083 0.000 0.933 1149 T CB 0.523 69.403 68.868 0.020 0.000 1.187 1149 T HN 0.760 nan 8.240 nan 0.000 0.559 1150 R N 0.608 121.155 120.500 0.079 0.000 2.668 1150 R HA 0.481 4.821 4.340 -0.000 0.000 0.272 1150 R C 0.135 176.514 176.300 0.132 0.000 1.019 1150 R CA -0.857 55.316 56.100 0.122 0.000 0.894 1150 R CB 0.540 30.914 30.300 0.123 0.000 1.228 1150 R HN 0.359 nan 8.270 nan 0.000 0.460 1151 I N 1.056 121.753 120.570 0.212 0.000 2.339 1151 I HA 0.123 4.293 4.170 -0.000 0.000 0.245 1151 I C 0.858 177.036 176.117 0.101 0.000 1.096 1151 I CA 0.646 62.038 61.300 0.154 0.000 1.408 1151 I CB -0.683 37.492 38.000 0.291 0.000 1.092 1151 I HN 0.519 nan 8.210 nan 0.000 0.423 1152 L N 2.659 123.960 121.223 0.130 0.000 2.325 1152 L HA 0.369 4.709 4.340 -0.000 0.000 0.278 1152 L C -2.166 174.775 176.870 0.119 0.000 1.023 1152 L CA -1.737 53.104 54.840 0.002 0.000 0.811 1152 L CB 1.856 43.669 42.059 -0.410 0.000 1.249 1152 L HN -0.093 nan 8.230 nan 0.000 0.431 1153 P HA 0.046 nan 4.420 nan 0.000 0.273 1153 P C -0.475 176.819 177.300 -0.010 0.000 1.250 1153 P CA -0.375 62.697 63.100 -0.047 0.000 0.793 1153 P CB 0.726 32.264 31.700 -0.270 0.000 1.011 1154 S N -0.349 115.346 115.700 -0.008 0.000 2.608 1154 S HA 0.157 4.627 4.470 -0.000 0.000 0.261 1154 S C 0.320 174.959 174.600 0.064 0.000 1.314 1154 S CA -0.742 57.478 58.200 0.034 0.000 0.992 1154 S CB -0.137 63.080 63.200 0.028 0.000 0.935 1154 S HN 0.257 nan 8.310 nan 0.000 0.564 1155 V N 3.410 123.382 119.914 0.097 0.000 2.479 1155 V HA 0.236 4.356 4.120 -0.000 0.000 0.281 1155 V C -2.036 174.096 176.094 0.064 0.000 1.031 1155 V CA -1.406 60.975 62.300 0.135 0.000 1.038 1155 V CB -0.018 31.890 31.823 0.142 0.000 0.981 1155 V HN 0.763 nan 8.190 nan 0.000 0.478 1156 P HA 0.047 nan 4.420 nan 0.000 0.263 1156 P C 0.736 178.038 177.300 0.004 0.000 1.175 1156 P CA 0.268 63.370 63.100 0.003 0.000 0.761 1156 P CB 0.406 32.088 31.700 -0.031 0.000 0.794 1157 R N 2.259 122.767 120.500 0.014 0.000 2.152 1157 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 1157 R C 0.963 177.265 176.300 0.004 0.000 1.117 1157 R CA 1.556 57.666 56.100 0.017 0.000 0.981 1157 R CB -0.358 29.957 30.300 0.026 0.000 0.870 1157 R HN 0.630 nan 8.270 nan 0.000 0.451 1158 D N -0.842 119.553 120.400 -0.007 0.000 2.325 1158 D HA -0.002 4.638 4.640 -0.000 0.000 0.225 1158 D C 0.036 176.313 176.300 -0.038 0.000 1.096 1158 D CA -0.261 53.730 54.000 -0.015 0.000 0.844 1158 D CB -0.486 40.308 40.800 -0.010 0.000 0.925 1158 D HN -0.010 nan 8.370 nan 0.000 0.513 1159 c N 1.224 119.792 118.600 -0.054 0.000 2.657 1159 c HA 0.167 4.737 4.570 -0.000 0.000 0.404 1159 c C -0.510 173.535 174.090 -0.075 0.000 1.291 1159 c CA -0.947 55.323 56.329 -0.098 0.000 2.218 1159 c CB 1.100 43.537 42.510 -0.123 0.000 2.687 1159 c HN 0.218 nan 8.230 nan 0.000 0.634 1160 P HA -0.039 nan 4.420 nan 0.000 0.216 1160 P C 0.544 177.822 177.300 -0.037 0.000 1.150 1160 P CA 1.428 64.490 63.100 -0.064 0.000 0.837 1160 P CB 0.002 31.650 31.700 -0.087 0.000 0.786 1161 T N -6.913 107.617 114.554 -0.040 0.000 2.930 1161 T HA 0.426 4.776 4.350 -0.000 0.000 0.290 1161 T C -2.337 172.376 174.700 0.020 0.000 1.052 1161 T CA -2.359 59.742 62.100 0.001 0.000 1.017 1161 T CB 1.643 70.522 68.868 0.018 0.000 1.137 1161 T HN -0.299 nan 8.240 nan 0.000 0.511 1162 P HA -0.016 nan 4.420 nan 0.000 0.218 1162 P C 1.156 178.516 177.300 0.099 0.000 1.148 1162 P CA 1.060 64.202 63.100 0.070 0.000 0.822 1162 P CB 0.019 31.769 31.700 0.083 0.000 0.784 1163 M N -2.667 117.003 119.600 0.117 0.000 2.428 1163 M HA 0.345 4.825 4.480 -0.000 0.000 0.239 1163 M C 1.281 177.689 176.300 0.180 0.000 1.121 1163 M CA 0.392 55.790 55.300 0.164 0.000 1.019 1163 M CB -0.363 32.349 32.600 0.187 0.000 1.485 1163 M HN 0.069 nan 8.290 nan 0.000 0.484 1164 G N 0.739 109.572 108.800 0.055 0.000 1.674 1164 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.192 1164 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.192 1164 G C 0.561 175.338 174.900 -0.206 0.000 1.551 1164 G CA 0.515 45.547 45.100 -0.115 0.000 1.320 1164 G HN 0.287 nan 8.290 nan 0.000 0.432 1165 T N -1.605 112.830 114.554 -0.198 0.000 3.009 1165 T HA 0.463 4.813 4.350 -0.000 0.000 0.267 1165 T C 0.506 175.176 174.700 -0.050 0.000 0.942 1165 T CA 0.606 62.586 62.100 -0.200 0.000 0.883 1165 T CB 0.723 69.361 68.868 -0.384 0.000 1.192 1165 T HN 0.429 nan 8.240 nan 0.000 0.524 1166 K N 1.531 121.939 120.400 0.013 0.000 2.139 1166 K HA 0.745 5.065 4.320 -0.000 0.000 0.243 1166 K C 0.906 177.564 176.600 0.097 0.000 0.983 1166 K CA 0.270 56.597 56.287 0.067 0.000 0.890 1166 K CB 1.030 33.585 32.500 0.092 0.000 1.090 1166 K HN 0.496 nan 8.250 nan 0.000 0.445 1167 G N 1.150 110.021 108.800 0.118 0.000 2.698 1167 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.225 1167 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.225 1167 G C -0.934 174.028 174.900 0.104 0.000 1.345 1167 G CA -0.608 44.581 45.100 0.148 0.000 0.871 1167 G HN 0.462 nan 8.290 nan 0.000 0.540 1168 K N -0.024 120.435 120.400 0.099 0.000 2.109 1168 K HA 0.461 4.781 4.320 -0.000 0.000 0.243 1168 K C 1.109 177.738 176.600 0.048 0.000 1.006 1168 K CA -0.883 55.440 56.287 0.060 0.000 0.917 1168 K CB 0.868 33.393 32.500 0.041 0.000 1.081 1168 K HN 0.281 nan 8.250 nan 0.000 0.468 1169 K N 0.885 121.303 120.400 0.030 0.000 2.280 1169 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 1169 K C 0.337 176.951 176.600 0.024 0.000 1.047 1169 K CA 1.213 57.514 56.287 0.023 0.000 0.942 1169 K CB 0.070 32.579 32.500 0.015 0.000 0.739 1169 K HN 0.519 nan 8.250 nan 0.000 0.457 1170 Q N 0.201 120.012 119.800 0.018 0.000 2.323 1170 Q HA 0.329 4.669 4.340 -0.000 0.000 0.271 1170 Q C -1.025 174.977 176.000 0.003 0.000 1.048 1170 Q CA -0.442 55.368 55.803 0.011 0.000 0.792 1170 Q CB 1.516 30.253 28.738 -0.003 0.000 1.280 1170 Q HN -0.015 nan 8.270 nan 0.000 0.441 1171 L N 4.077 125.307 121.223 0.011 0.000 2.464 1171 L HA 0.384 4.724 4.340 -0.000 0.000 0.264 1171 L C -1.908 174.913 176.870 -0.083 0.000 1.199 1171 L CA -1.825 53.003 54.840 -0.019 0.000 0.818 1171 L CB 0.160 42.246 42.059 0.045 0.000 1.102 1171 L HN 0.579 nan 8.230 nan 0.000 0.473 1172 P HA -0.007 nan 4.420 nan 0.000 0.269 1172 P C -1.055 176.226 177.300 -0.032 0.000 1.209 1172 P CA -0.295 62.711 63.100 -0.156 0.000 0.776 1172 P CB 0.336 31.849 31.700 -0.312 0.000 0.876 1173 D N 1.669 122.080 120.400 0.019 0.000 2.472 1173 D HA 0.084 4.724 4.640 -0.000 0.000 0.248 1173 D C 1.244 177.614 176.300 0.116 0.000 1.174 1173 D CA 0.285 54.322 54.000 0.062 0.000 0.883 1173 D CB 0.558 41.394 40.800 0.060 0.000 1.149 1173 D HN 0.324 nan 8.370 nan 0.000 0.488 1174 A N 3.955 126.827 122.820 0.087 0.000 1.908 1174 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 1174 A C 1.967 179.614 177.584 0.105 0.000 1.181 1174 A CA 1.943 54.037 52.037 0.095 0.000 0.627 1174 A CB -0.666 18.377 19.000 0.072 0.000 0.818 1174 A HN 0.745 nan 8.150 nan 0.000 0.445 1175 E N -0.922 119.341 120.200 0.105 0.000 2.051 1175 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 1175 E C 1.673 178.344 176.600 0.117 0.000 0.991 1175 E CA 1.557 58.016 56.400 0.099 0.000 0.799 1175 E CB -0.476 29.279 29.700 0.093 0.000 0.748 1175 E HN 0.533 nan 8.360 nan 0.000 0.449 1176 F N 0.165 120.117 119.950 0.004 0.000 2.102 1176 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 1176 F C 1.938 177.744 175.800 0.010 0.000 1.105 1176 F CA 1.183 59.175 58.000 -0.014 0.000 1.239 1176 F CB -0.507 38.481 39.000 -0.020 0.000 0.991 1176 F HN 0.171 nan 8.300 nan 0.000 0.474 1177 L N -0.080 121.218 121.223 0.124 0.000 2.042 1177 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 1177 L C 2.528 179.462 176.870 0.107 0.000 1.076 1177 L CA 2.131 57.075 54.840 0.173 0.000 0.749 1177 L CB -1.154 41.024 42.059 0.199 0.000 0.893 1177 L HN 0.128 nan 8.230 nan 0.000 0.432 1178 S N -0.997 114.734 115.700 0.051 0.000 2.355 1178 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 1178 S C 1.988 176.552 174.600 -0.060 0.000 1.031 1178 S CA 0.724 58.943 58.200 0.032 0.000 0.993 1178 S CB -0.221 63.009 63.200 0.049 0.000 0.859 1178 S HN 0.372 nan 8.310 nan 0.000 0.453 1179 R N 1.280 121.702 120.500 -0.131 0.000 2.073 1179 R HA 0.077 4.417 4.340 -0.000 0.000 0.234 1179 R C 2.391 178.486 176.300 -0.342 0.000 1.134 1179 R CA 0.960 56.946 56.100 -0.191 0.000 0.952 1179 R CB -0.478 29.712 30.300 -0.183 0.000 0.850 1179 R HN 0.327 nan 8.270 nan 0.000 0.433 1180 R N -0.353 119.775 120.500 -0.620 0.000 2.066 1180 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 1180 R C 1.972 177.714 176.300 -0.929 0.000 1.131 1180 R CA 1.341 56.855 56.100 -0.976 0.000 0.955 1180 R CB -0.163 29.135 30.300 -1.670 0.000 0.851 1180 R HN 0.258 nan 8.270 nan 0.000 0.432 1181 F N -1.181 118.652 119.950 -0.194 0.000 2.724 1181 F HA 0.225 4.752 4.527 -0.000 0.000 0.306 1181 F C 1.843 177.580 175.800 -0.106 0.000 1.100 1181 F CA -0.027 57.892 58.000 -0.135 0.000 1.255 1181 F CB 0.249 39.176 39.000 -0.121 0.000 1.072 1181 F HN -0.173 nan 8.300 nan 0.000 0.589 1182 L N -0.516 120.736 121.223 0.049 0.000 2.642 1182 L HA 0.267 4.607 4.340 -0.000 0.000 0.233 1182 L C 0.638 177.515 176.870 0.011 0.000 1.077 1182 L CA 0.057 54.914 54.840 0.029 0.000 0.879 1182 L CB 0.614 42.702 42.059 0.048 0.000 1.151 1182 L HN 0.024 nan 8.230 nan 0.000 0.495 1183 L N 2.387 123.600 121.223 -0.017 0.000 2.499 1183 L HA 0.060 4.399 4.340 -0.000 0.000 0.273 1183 L C 0.742 177.612 176.870 -0.000 0.000 1.195 1183 L CA 0.169 55.005 54.840 -0.006 0.000 0.882 1183 L CB 0.666 42.703 42.059 -0.037 0.000 1.133 1183 L HN 0.250 nan 8.230 nan 0.000 0.483 1184 R N 4.259 124.780 120.500 0.036 0.000 2.491 1184 R HA 0.112 4.452 4.340 -0.000 0.000 0.283 1184 R C 0.344 176.667 176.300 0.039 0.000 1.072 1184 R CA 0.027 56.153 56.100 0.044 0.000 1.048 1184 R CB 0.909 31.265 30.300 0.093 0.000 0.983 1184 R HN 0.758 nan 8.270 nan 0.000 0.450 1185 R N 1.822 122.334 120.500 0.020 0.000 2.064 1185 R HA 0.146 4.486 4.340 -0.000 0.000 0.210 1185 R C -0.229 176.096 176.300 0.041 0.000 1.221 1185 R CA 0.512 56.620 56.100 0.013 0.000 1.055 1185 R CB 0.182 30.474 30.300 -0.014 0.000 0.946 1185 R HN 0.249 nan 8.270 nan 0.000 0.459 1186 K N 0.300 120.723 120.400 0.037 0.000 2.345 1186 K HA 0.202 4.522 4.320 -0.000 0.000 0.255 1186 K C -1.435 175.218 176.600 0.088 0.000 0.934 1186 K CA -0.823 55.505 56.287 0.067 0.000 0.801 1186 K CB 0.920 33.442 32.500 0.037 0.000 1.137 1186 K HN -0.069 nan 8.250 nan 0.000 0.424 1187 F N 5.183 125.130 119.950 -0.005 0.000 2.612 1187 F HA 0.173 4.700 4.527 -0.000 0.000 0.389 1187 F C -0.297 175.486 175.800 -0.028 0.000 1.055 1187 F CA 0.431 58.421 58.000 -0.016 0.000 1.232 1187 F CB 0.221 39.208 39.000 -0.022 0.000 1.044 1187 F HN 0.399 nan 8.300 nan 0.000 0.560 1188 I N 9.273 129.349 120.570 -0.823 0.000 2.359 1188 I HA 0.257 4.427 4.170 -0.000 0.000 0.284 1188 I C -2.091 173.375 176.117 -1.085 0.000 1.018 1188 I CA -2.174 58.714 61.300 -0.688 0.000 1.173 1188 I CB 1.143 38.921 38.000 -0.370 0.000 1.326 1188 I HN 0.441 nan 8.210 nan 0.000 0.462 1189 P HA 0.022 nan 4.420 nan 0.000 0.272 1189 P C -0.783 176.313 177.300 -0.339 0.000 1.223 1189 P CA -0.214 62.558 63.100 -0.547 0.000 0.784 1189 P CB 0.948 32.597 31.700 -0.085 0.000 0.923 1190 D N 3.009 123.256 120.400 -0.256 0.000 2.383 1190 D HA 0.042 4.682 4.640 -0.000 0.000 0.252 1190 D C -1.076 175.092 176.300 -0.219 0.000 1.166 1190 D CA -1.916 51.926 54.000 -0.263 0.000 0.879 1190 D CB 0.378 40.999 40.800 -0.299 0.000 1.164 1190 D HN 0.183 nan 8.370 nan 0.000 0.462 1191 P HA -0.165 nan 4.420 nan 0.000 0.222 1191 P C 0.625 177.840 177.300 -0.141 0.000 1.147 1191 P CA 1.041 64.056 63.100 -0.141 0.000 0.790 1191 P CB 0.236 31.868 31.700 -0.113 0.000 0.780 1192 Q N -0.752 118.926 119.800 -0.203 0.000 2.482 1192 Q HA 0.154 4.494 4.340 -0.000 0.000 0.209 1192 Q C 1.246 177.075 176.000 -0.286 0.000 0.961 1192 Q CA 0.596 56.282 55.803 -0.195 0.000 0.945 1192 Q CB -0.416 28.162 28.738 -0.266 0.000 1.012 1192 Q HN 0.304 nan 8.270 nan 0.000 0.515 1193 G N 1.208 109.791 108.800 -0.361 0.000 2.143 1193 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 1193 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 1193 G C 0.203 174.710 174.900 -0.655 0.000 0.991 1193 G CA 0.301 45.027 45.100 -0.624 0.000 0.689 1193 G HN 0.315 nan 8.290 nan 0.000 0.522 1194 T N 1.455 115.731 114.554 -0.464 0.000 2.940 1194 T HA 0.420 4.770 4.350 -0.000 0.000 0.309 1194 T C 0.803 175.401 174.700 -0.170 0.000 1.056 1194 T CA 0.827 62.690 62.100 -0.397 0.000 1.137 1194 T CB 0.863 69.374 68.868 -0.594 0.000 0.976 1194 T HN 0.856 nan 8.240 nan 0.000 0.547 1195 N N 1.775 120.480 118.700 0.008 0.000 2.906 1195 N HA 0.355 5.095 4.740 -0.000 0.000 0.327 1195 N C 0.753 176.373 175.510 0.184 0.000 1.344 1195 N CA -1.148 51.975 53.050 0.121 0.000 0.823 1195 N CB 0.297 38.909 38.487 0.208 0.000 1.351 1195 N HN 0.369 nan 8.380 nan 0.000 0.604 1196 L N -1.163 120.157 121.223 0.161 0.000 2.291 1196 L HA 0.039 4.379 4.340 -0.000 0.000 0.214 1196 L C 2.048 179.031 176.870 0.190 0.000 1.120 1196 L CA 0.792 55.639 54.840 0.011 0.000 0.799 1196 L CB -0.409 41.628 42.059 -0.037 0.000 0.925 1196 L HN 0.547 nan 8.230 nan 0.000 0.446 1197 M N 0.072 119.952 119.600 0.466 0.000 2.159 1197 M HA -0.244 4.236 4.480 -0.000 0.000 0.263 1197 M C 2.019 178.777 176.300 0.763 0.000 1.063 1197 M CA 1.895 57.589 55.300 0.657 0.000 1.110 1197 M CB -0.491 32.447 32.600 0.563 0.000 1.374 1197 M HN 0.183 nan 8.290 nan 0.000 0.411 1198 F N 0.218 120.453 119.950 0.476 0.000 2.128 1198 F HA 0.029 4.556 4.527 -0.000 0.000 0.295 1198 F C 2.081 177.995 175.800 0.190 0.000 1.100 1198 F CA 1.584 59.716 58.000 0.219 0.000 1.260 1198 F CB -0.763 38.219 39.000 -0.030 0.000 1.009 1198 F HN 0.169 nan 8.300 nan 0.000 0.476 1199 A N 0.333 123.323 122.820 0.283 0.000 1.892 1199 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 1199 A C 2.006 179.572 177.584 -0.030 0.000 1.188 1199 A CA 1.991 54.074 52.037 0.076 0.000 0.631 1199 A CB -1.537 17.387 19.000 -0.126 0.000 0.822 1199 A HN 0.455 nan 8.150 nan 0.000 0.447 1200 F N -1.748 118.297 119.950 0.158 0.000 2.325 1200 F HA 0.029 4.556 4.527 -0.000 0.000 0.299 1200 F C 1.904 177.701 175.800 -0.005 0.000 1.090 1200 F CA 0.395 58.454 58.000 0.099 0.000 1.392 1200 F CB -0.849 38.240 39.000 0.149 0.000 1.053 1200 F HN 0.352 nan 8.300 nan 0.000 0.521 1201 F N 0.657 120.599 119.950 -0.014 0.000 2.113 1201 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 1201 F C 2.392 178.040 175.800 -0.253 0.000 1.103 1201 F CA 1.376 59.098 58.000 -0.463 0.000 1.248 1201 F CB -0.459 38.406 39.000 -0.226 0.000 0.999 1201 F HN -0.082 nan 8.300 nan 0.000 0.475 1202 A N -0.117 122.766 122.820 0.106 0.000 1.883 1202 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 1202 A C 2.202 179.746 177.584 -0.067 0.000 1.186 1202 A CA 2.009 54.121 52.037 0.125 0.000 0.624 1202 A CB -1.127 17.995 19.000 0.203 0.000 0.822 1202 A HN 0.612 nan 8.150 nan 0.000 0.444 1203 Q N -1.545 118.216 119.800 -0.065 0.000 2.046 1203 Q HA -0.262 4.078 4.340 -0.000 0.000 0.200 1203 Q C 2.034 177.872 176.000 -0.270 0.000 0.975 1203 Q CA 1.990 57.696 55.803 -0.162 0.000 0.836 1203 Q CB -0.259 28.401 28.738 -0.131 0.000 0.896 1203 Q HN 0.883 nan 8.270 nan 0.000 0.428 1204 H N -0.484 118.357 119.070 -0.382 0.000 2.293 1204 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 1204 H C 1.676 176.830 175.328 -0.291 0.000 1.082 1204 H CA 2.215 57.996 56.048 -0.444 0.000 1.308 1204 H CB -0.558 28.884 29.762 -0.533 0.000 1.375 1204 H HN 0.351 nan 8.280 nan 0.000 0.495 1205 F N 1.252 120.840 119.950 -0.603 0.000 2.069 1205 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 1205 F C 2.708 177.906 175.800 -1.004 0.000 1.113 1205 F CA 2.473 60.019 58.000 -0.758 0.000 1.214 1205 F CB -1.090 37.518 39.000 -0.653 0.000 0.978 1205 F HN 0.392 nan 8.300 nan 0.000 0.474 1206 T N -2.922 110.985 114.554 -1.079 0.000 2.915 1206 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 1206 T C 1.561 175.365 174.700 -1.493 0.000 1.071 1206 T CA 1.687 62.726 62.100 -1.768 0.000 1.132 1206 T CB -0.962 67.216 68.868 -1.149 0.000 0.878 1206 T HN 0.402 nan 8.240 nan 0.000 0.479 1207 H N 1.695 120.224 119.070 -0.902 0.000 2.563 1207 H HA 0.109 4.665 4.556 -0.000 0.000 0.272 1207 H C 2.374 177.309 175.328 -0.653 0.000 1.005 1207 H CA 1.064 56.783 56.048 -0.549 0.000 1.171 1207 H CB -0.224 29.482 29.762 -0.094 0.000 1.351 1207 H HN 0.763 nan 8.280 nan 0.000 0.602 1208 Q N -0.116 119.095 119.800 -0.981 0.000 2.354 1208 Q HA -0.037 4.303 4.340 -0.000 0.000 0.203 1208 Q C 0.676 176.308 176.000 -0.612 0.000 0.933 1208 Q CA 0.813 56.124 55.803 -0.821 0.000 0.901 1208 Q CB 0.006 28.025 28.738 -1.199 0.000 1.007 1208 Q HN 0.580 nan 8.270 nan 0.000 0.495 1209 F N -2.834 116.688 119.950 -0.712 0.000 2.706 1209 F HA 0.514 5.041 4.527 -0.000 0.000 0.313 1209 F C -0.427 175.053 175.800 -0.534 0.000 1.096 1209 F CA -1.145 56.469 58.000 -0.644 0.000 1.219 1209 F CB 0.626 39.209 39.000 -0.695 0.000 1.051 1209 F HN -0.219 nan 8.300 nan 0.000 0.568 1210 F N 3.109 122.826 119.950 -0.388 0.000 2.366 1210 F HA 0.535 5.062 4.527 -0.000 0.000 0.366 1210 F C -0.143 175.469 175.800 -0.314 0.000 1.096 1210 F CA -1.676 56.165 58.000 -0.265 0.000 1.060 1210 F CB 1.407 40.111 39.000 -0.493 0.000 1.282 1210 F HN -0.063 nan 8.300 nan 0.000 0.450 1211 K N 2.084 122.507 120.400 0.039 0.000 3.050 1211 K HA 0.192 4.512 4.320 -0.000 0.000 0.185 1211 K C -0.543 176.053 176.600 -0.006 0.000 1.147 1211 K CA -0.308 55.943 56.287 -0.060 0.000 0.916 1211 K CB 1.184 33.605 32.500 -0.131 0.000 1.119 1211 K HN 0.384 nan 8.250 nan 0.000 0.605 1212 T N 1.310 115.919 114.554 0.092 0.000 2.871 1212 T HA -0.054 4.296 4.350 -0.000 0.000 0.296 1212 T C 0.524 175.250 174.700 0.044 0.000 0.998 1212 T CA 0.520 62.698 62.100 0.130 0.000 1.162 1212 T CB 0.794 69.773 68.868 0.184 0.000 0.947 1212 T HN 0.249 nan 8.240 nan 0.000 0.536 1213 S N 2.730 118.447 115.700 0.028 0.000 2.465 1213 S HA 0.299 4.769 4.470 -0.000 0.000 0.280 1213 S C 1.673 176.276 174.600 0.005 0.000 1.232 1213 S CA -0.420 57.778 58.200 -0.003 0.000 1.066 1213 S CB 0.301 63.480 63.200 -0.035 0.000 0.929 1213 S HN 0.832 nan 8.310 nan 0.000 0.494 1214 G N 5.435 114.229 108.800 -0.009 0.000 2.402 1214 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 1214 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 1214 G C 1.600 176.482 174.900 -0.031 0.000 1.162 1214 G CA 0.720 45.813 45.100 -0.013 0.000 0.777 1214 G HN 0.769 nan 8.290 nan 0.000 0.539 1215 K N 0.447 120.815 120.400 -0.053 0.000 2.025 1215 K HA 0.041 4.361 4.320 -0.000 0.000 0.207 1215 K C 2.330 178.851 176.600 -0.131 0.000 1.049 1215 K CA 1.051 57.289 56.287 -0.081 0.000 0.933 1215 K CB -0.718 31.730 32.500 -0.087 0.000 0.714 1215 K HN 0.379 nan 8.250 nan 0.000 0.438 1216 M N 0.576 120.062 119.600 -0.189 0.000 2.349 1216 M HA 0.077 4.557 4.480 -0.000 0.000 0.266 1216 M C 0.791 176.967 176.300 -0.208 0.000 1.076 1216 M CA 0.958 56.029 55.300 -0.382 0.000 1.126 1216 M CB -0.083 32.100 32.600 -0.696 0.000 1.392 1216 M HN 0.492 nan 8.290 nan 0.000 0.440 1217 G N 0.188 108.987 108.800 -0.001 0.000 2.566 1217 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.599 1217 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.599 1217 G C -3.087 171.963 174.900 0.249 0.000 1.292 1217 G CA -1.424 43.748 45.100 0.119 0.000 0.922 1217 G HN 0.040 nan 8.290 nan 0.000 0.514 1218 P HA 0.385 nan 4.420 nan 0.000 0.267 1218 P C 1.100 178.513 177.300 0.189 0.000 1.200 1218 P CA 2.218 65.418 63.100 0.168 0.000 0.772 1218 P CB 0.730 32.489 31.700 0.099 0.000 0.855 1219 G N 0.315 109.214 108.800 0.166 0.000 2.199 1219 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 1219 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 1219 G C -0.173 174.581 174.900 -0.244 0.000 0.982 1219 G CA -0.448 44.667 45.100 0.025 0.000 0.632 1219 G HN 0.407 nan 8.290 nan 0.000 0.529 1220 F N 0.446 120.417 119.950 0.036 0.000 2.508 1220 F HA 0.758 5.285 4.527 -0.000 0.000 0.325 1220 F C 0.475 176.037 175.800 -0.397 0.000 1.090 1220 F CA -0.165 57.706 58.000 -0.216 0.000 0.945 1220 F CB 2.518 41.383 39.000 -0.224 0.000 1.156 1220 F HN 0.056 nan 8.300 nan 0.000 0.463 1221 T N 0.817 115.126 114.554 -0.409 0.000 2.906 1221 T HA 0.378 4.728 4.350 -0.000 0.000 0.295 1221 T C 0.199 174.739 174.700 -0.267 0.000 1.061 1221 T CA -0.636 61.153 62.100 -0.520 0.000 1.000 1221 T CB 1.516 69.753 68.868 -1.050 0.000 1.103 1221 T HN 0.728 nan 8.240 nan 0.000 0.486 1222 K N 1.430 121.705 120.400 -0.209 0.000 2.355 1222 K HA 0.356 4.676 4.320 -0.000 0.000 0.198 1222 K C 0.626 177.122 176.600 -0.174 0.000 1.039 1222 K CA -0.117 56.078 56.287 -0.153 0.000 1.075 1222 K CB 0.690 33.123 32.500 -0.110 0.000 0.870 1222 K HN 0.530 nan 8.250 nan 0.000 0.540 1223 A N 2.133 124.811 122.820 -0.237 0.000 3.004 1223 A HA 0.195 4.515 4.320 -0.000 0.000 0.286 1223 A C 0.990 178.391 177.584 -0.305 0.000 1.632 1223 A CA -0.218 51.674 52.037 -0.241 0.000 1.339 1223 A CB -0.691 18.161 19.000 -0.246 0.000 1.136 1223 A HN 0.221 nan 8.150 nan 0.000 0.577 1224 L N 1.092 122.211 121.223 -0.174 0.000 2.456 1224 L HA -0.092 4.248 4.340 -0.000 0.000 0.224 1224 L C 2.390 179.282 176.870 0.037 0.000 1.148 1224 L CA 1.002 55.807 54.840 -0.059 0.000 0.825 1224 L CB -0.362 41.687 42.059 -0.016 0.000 0.937 1224 L HN 0.686 nan 8.230 nan 0.000 0.450 1225 G N -2.044 106.736 108.800 -0.034 0.000 2.484 1225 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 1225 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 1225 G C 0.663 175.611 174.900 0.080 0.000 1.130 1225 G CA -0.048 45.066 45.100 0.023 0.000 0.784 1225 G HN 0.579 nan 8.290 nan 0.000 0.543 1226 H N -0.274 118.772 119.070 -0.040 0.000 2.713 1226 H HA -0.166 4.390 4.556 -0.000 0.000 0.311 1226 H C 1.154 176.423 175.328 -0.098 0.000 1.175 1226 H CA 1.124 57.148 56.048 -0.041 0.000 1.143 1226 H CB -1.362 28.376 29.762 -0.040 0.000 1.434 1226 H HN 0.808 nan 8.280 nan 0.000 0.418 1227 G N -1.711 107.052 108.800 -0.062 0.000 2.399 1227 G HA2 0.198 4.158 3.960 -0.000 0.000 0.256 1227 G HA3 0.198 4.158 3.960 -0.000 0.000 0.256 1227 G C -0.773 174.091 174.900 -0.060 0.000 1.236 1227 G CA -0.267 44.731 45.100 -0.169 0.000 0.914 1227 G HN 0.160 nan 8.290 nan 0.000 0.482 1228 V N 2.637 122.535 119.914 -0.027 0.000 2.153 1228 V HA 0.254 4.374 4.120 -0.000 0.000 0.250 1228 V C 0.542 176.679 176.094 0.072 0.000 1.334 1228 V CA 0.848 63.171 62.300 0.038 0.000 1.249 1228 V CB 0.208 32.115 31.823 0.140 0.000 1.371 1228 V HN 0.757 nan 8.190 nan 0.000 0.498 1229 D N 2.834 123.262 120.400 0.046 0.000 2.398 1229 D HA 0.028 4.668 4.640 -0.000 0.000 0.210 1229 D C 0.892 177.278 176.300 0.144 0.000 1.094 1229 D CA -0.459 53.594 54.000 0.088 0.000 0.839 1229 D CB 0.389 41.226 40.800 0.061 0.000 0.963 1229 D HN 0.253 nan 8.370 nan 0.000 0.506 1230 L N 0.480 121.778 121.223 0.125 0.000 3.865 1230 L HA -0.145 4.195 4.340 -0.000 0.000 0.408 1230 L C 1.661 178.694 176.870 0.271 0.000 1.209 1230 L CA 0.627 55.610 54.840 0.239 0.000 0.940 1230 L CB -1.945 40.253 42.059 0.231 0.000 1.971 1230 L HN 0.317 nan 8.230 nan 0.000 0.899 1231 G N -0.753 108.145 108.800 0.163 0.000 2.559 1231 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 1231 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 1231 G C 1.169 176.084 174.900 0.025 0.000 1.126 1231 G CA 0.728 45.880 45.100 0.086 0.000 0.778 1231 G HN 0.813 nan 8.290 nan 0.000 0.543 1232 H N -0.566 118.352 119.070 -0.253 0.000 2.551 1232 H HA 0.268 4.824 4.556 -0.000 0.000 0.266 1232 H C 1.797 176.980 175.328 -0.242 0.000 0.977 1232 H CA -0.049 55.791 56.048 -0.347 0.000 1.163 1232 H CB -0.205 29.325 29.762 -0.386 0.000 1.381 1232 H HN 0.438 nan 8.280 nan 0.000 0.581 1233 I N -0.917 119.405 120.570 -0.413 0.000 3.443 1233 I HA -0.034 4.136 4.170 -0.000 0.000 0.277 1233 I C 1.003 176.843 176.117 -0.461 0.000 1.169 1233 I CA 0.105 61.076 61.300 -0.549 0.000 1.419 1233 I CB 0.192 37.653 38.000 -0.898 0.000 1.331 1233 I HN -0.031 nan 8.210 nan 0.000 0.458 1234 Y N 1.520 121.800 120.300 -0.033 0.000 2.457 1234 Y HA 0.478 5.028 4.550 -0.000 0.000 0.263 1234 Y C 1.098 177.001 175.900 0.004 0.000 1.164 1234 Y CA -0.004 58.116 58.100 0.033 0.000 1.274 1234 Y CB -0.076 38.459 38.460 0.126 0.000 1.097 1234 Y HN 0.146 nan 8.280 nan 0.000 0.523 1235 G N 1.210 110.043 108.800 0.056 0.000 2.719 1235 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 1235 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 1235 G C -0.209 174.688 174.900 -0.004 0.000 1.201 1235 G CA -0.283 44.813 45.100 -0.006 0.000 0.768 1235 G HN 0.338 nan 8.290 nan 0.000 0.629 1236 D N -0.197 120.170 120.400 -0.055 0.000 2.340 1236 D HA 0.067 4.707 4.640 -0.000 0.000 0.220 1236 D C 0.789 177.056 176.300 -0.055 0.000 1.039 1236 D CA 0.837 54.802 54.000 -0.059 0.000 0.866 1236 D CB -0.059 40.684 40.800 -0.096 0.000 0.913 1236 D HN 0.831 nan 8.370 nan 0.000 0.523 1237 N N -0.361 118.304 118.700 -0.057 0.000 2.416 1237 N HA 0.082 4.822 4.740 -0.000 0.000 0.276 1237 N C 0.367 175.812 175.510 -0.109 0.000 1.261 1237 N CA -0.782 52.222 53.050 -0.076 0.000 0.790 1237 N CB 1.641 40.081 38.487 -0.078 0.000 1.554 1237 N HN -0.116 nan 8.380 nan 0.000 0.481 1238 L N 0.645 121.765 121.223 -0.171 0.000 2.012 1238 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 1238 L C 2.442 179.056 176.870 -0.428 0.000 1.073 1238 L CA 2.062 56.695 54.840 -0.346 0.000 0.748 1238 L CB -0.336 41.473 42.059 -0.415 0.000 0.891 1238 L HN 0.735 nan 8.230 nan 0.000 0.431 1239 E N -0.404 119.645 120.200 -0.252 0.000 2.110 1239 E HA -0.315 4.035 4.350 -0.000 0.000 0.193 1239 E C 2.186 178.770 176.600 -0.027 0.000 0.988 1239 E CA 1.062 57.387 56.400 -0.124 0.000 0.804 1239 E CB -0.432 29.234 29.700 -0.058 0.000 0.745 1239 E HN 0.462 nan 8.360 nan 0.000 0.458 1240 R N 1.188 121.660 120.500 -0.047 0.000 2.075 1240 R HA -0.186 4.154 4.340 -0.000 0.000 0.232 1240 R C 2.599 178.911 176.300 0.020 0.000 1.126 1240 R CA 1.758 57.850 56.100 -0.013 0.000 0.963 1240 R CB -0.170 30.107 30.300 -0.039 0.000 0.858 1240 R HN 0.300 nan 8.270 nan 0.000 0.435 1241 Q N -0.296 119.505 119.800 0.001 0.000 2.061 1241 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 1241 Q C 1.697 177.767 176.000 0.117 0.000 0.984 1241 Q CA 1.828 57.659 55.803 0.047 0.000 0.846 1241 Q CB -0.286 28.462 28.738 0.016 0.000 0.902 1241 Q HN 0.602 nan 8.270 nan 0.000 0.421 1242 Y N -0.346 119.947 120.300 -0.011 0.000 2.274 1242 Y HA -0.233 4.317 4.550 -0.000 0.000 0.290 1242 Y C 2.505 178.498 175.900 0.154 0.000 1.145 1242 Y CA 0.593 58.770 58.100 0.128 0.000 1.203 1242 Y CB 0.219 38.813 38.460 0.224 0.000 0.984 1242 Y HN 0.302 nan 8.280 nan 0.000 0.533 1243 Q N -0.059 119.877 119.800 0.227 0.000 2.172 1243 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 1243 Q C 1.797 177.847 176.000 0.083 0.000 0.964 1243 Q CA 0.961 56.847 55.803 0.138 0.000 0.855 1243 Q CB -0.097 28.691 28.738 0.083 0.000 0.918 1243 Q HN 0.288 nan 8.270 nan 0.000 0.444 1244 L N -0.279 120.975 121.223 0.051 0.000 2.341 1244 L HA 0.120 4.460 4.340 -0.000 0.000 0.214 1244 L C 0.371 177.225 176.870 -0.027 0.000 1.115 1244 L CA 0.933 55.786 54.840 0.022 0.000 0.820 1244 L CB -0.311 41.766 42.059 0.031 0.000 0.944 1244 L HN 0.033 nan 8.230 nan 0.000 0.452 1245 R N -0.605 119.803 120.500 -0.154 0.000 2.490 1245 R HA 0.123 4.463 4.340 -0.000 0.000 0.278 1245 R C 1.179 177.319 176.300 -0.266 0.000 1.069 1245 R CA -0.250 55.618 56.100 -0.386 0.000 1.080 1245 R CB 1.148 30.805 30.300 -1.073 0.000 1.030 1245 R HN 0.055 nan 8.270 nan 0.000 0.491 1246 L N 2.407 123.537 121.223 -0.154 0.000 2.209 1246 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 1246 L C -0.057 176.869 176.870 0.094 0.000 1.094 1246 L CA 0.936 55.780 54.840 0.007 0.000 0.790 1246 L CB 0.170 42.273 42.059 0.074 0.000 0.932 1246 L HN 0.807 nan 8.230 nan 0.000 0.447 1247 F N 0.189 120.131 119.950 -0.013 0.000 3.043 1247 F HA -0.279 4.248 4.527 -0.000 0.000 0.290 1247 F C 0.419 176.221 175.800 0.002 0.000 0.844 1247 F CA 0.867 58.836 58.000 -0.051 0.000 1.184 1247 F CB -1.170 37.761 39.000 -0.115 0.000 1.246 1247 F HN 0.182 nan 8.300 nan 0.000 0.536 1248 K N 0.550 121.039 120.400 0.147 0.000 2.535 1248 K HA 0.381 4.701 4.320 -0.000 0.000 0.250 1248 K C -0.058 176.629 176.600 0.145 0.000 0.948 1248 K CA -0.361 56.009 56.287 0.138 0.000 0.796 1248 K CB 1.322 33.894 32.500 0.120 0.000 1.216 1248 K HN -0.008 nan 8.250 nan 0.000 0.432 1249 D N 2.972 123.459 120.400 0.144 0.000 2.983 1249 D HA -0.200 4.440 4.640 -0.000 0.000 0.225 1249 D C 0.703 177.113 176.300 0.184 0.000 1.174 1249 D CA 1.989 56.081 54.000 0.152 0.000 0.831 1249 D CB -1.274 39.606 40.800 0.134 0.000 1.104 1249 D HN 1.108 nan 8.370 nan 0.000 0.421 1250 G N -0.754 108.170 108.800 0.207 0.000 2.168 1250 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.263 1250 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.263 1250 G C 0.422 175.580 174.900 0.430 0.000 0.977 1250 G CA 1.006 46.285 45.100 0.298 0.000 0.659 1250 G HN 0.529 nan 8.290 nan 0.000 0.533 1251 K N -0.829 119.764 120.400 0.321 0.000 2.102 1251 K HA 0.638 4.957 4.320 -0.000 0.000 0.244 1251 K C 0.015 176.811 176.600 0.326 0.000 1.021 1251 K CA -0.865 55.660 56.287 0.398 0.000 0.913 1251 K CB 0.774 33.458 32.500 0.307 0.000 1.062 1251 K HN 0.021 nan 8.250 nan 0.000 0.485 1252 L N 1.811 123.244 121.223 0.350 0.000 2.343 1252 L HA 0.253 4.593 4.340 -0.000 0.000 0.275 1252 L C 0.080 177.100 176.870 0.250 0.000 1.056 1252 L CA -0.143 54.821 54.840 0.206 0.000 0.804 1252 L CB 1.205 43.355 42.059 0.152 0.000 1.203 1252 L HN 0.442 nan 8.230 nan 0.000 0.440 1253 K N 2.644 123.123 120.400 0.133 0.000 2.336 1253 K HA 0.330 4.650 4.320 -0.000 0.000 0.262 1253 K C -1.184 175.524 176.600 0.179 0.000 0.992 1253 K CA 0.335 56.664 56.287 0.069 0.000 0.927 1253 K CB 0.509 33.011 32.500 0.003 0.000 0.956 1253 K HN 0.573 nan 8.250 nan 0.000 0.495 1254 Y N -2.491 117.845 120.300 0.061 0.000 2.788 1254 Y HA 0.277 4.827 4.550 -0.000 0.000 0.335 1254 Y C -1.589 174.351 175.900 0.066 0.000 1.287 1254 Y CA -1.395 56.745 58.100 0.067 0.000 1.068 1254 Y CB 0.981 39.477 38.460 0.060 0.000 1.340 1254 Y HN 0.614 nan 8.280 nan 0.000 0.449 1255 Q N 1.323 121.287 119.800 0.274 0.000 2.456 1255 Q HA 0.693 5.033 4.340 -0.000 0.000 0.283 1255 Q C -1.694 174.484 176.000 0.296 0.000 1.084 1255 Q CA -1.297 54.611 55.803 0.175 0.000 0.801 1255 Q CB 2.836 31.642 28.738 0.112 0.000 1.434 1255 Q HN 0.624 nan 8.270 nan 0.000 0.419 1256 M N 2.526 122.255 119.600 0.216 0.000 2.268 1256 M HA 0.527 5.007 4.480 -0.000 0.000 0.344 1256 M C -1.188 175.221 176.300 0.182 0.000 1.106 1256 M CA -0.427 54.995 55.300 0.204 0.000 1.010 1256 M CB 0.868 33.562 32.600 0.156 0.000 1.649 1256 M HN 0.675 nan 8.290 nan 0.000 0.443 1257 L N 4.118 125.490 121.223 0.249 0.000 2.476 1257 L HA 0.406 4.746 4.340 -0.000 0.000 0.269 1257 L C -0.031 176.960 176.870 0.202 0.000 0.965 1257 L CA -0.595 54.360 54.840 0.192 0.000 0.845 1257 L CB 1.780 43.922 42.059 0.138 0.000 1.259 1257 L HN 0.739 nan 8.230 nan 0.000 0.403 1258 N N 2.444 121.206 118.700 0.104 0.000 2.725 1258 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 1258 N C 0.953 176.509 175.510 0.075 0.000 1.103 1258 N CA 1.330 54.427 53.050 0.079 0.000 0.707 1258 N CB -0.911 37.625 38.487 0.082 0.000 1.043 1258 N HN 1.156 nan 8.380 nan 0.000 0.553 1259 G N -1.477 107.366 108.800 0.071 0.000 2.155 1259 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 1259 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 1259 G C -0.195 174.718 174.900 0.021 0.000 0.983 1259 G CA 0.844 45.971 45.100 0.044 0.000 0.676 1259 G HN 0.470 nan 8.290 nan 0.000 0.528 1260 E N -0.585 119.641 120.200 0.044 0.000 2.221 1260 E HA 0.594 4.944 4.350 -0.000 0.000 0.268 1260 E C 0.134 176.615 176.600 -0.198 0.000 0.933 1260 E CA -0.826 55.511 56.400 -0.104 0.000 0.809 1260 E CB 2.166 31.785 29.700 -0.136 0.000 1.190 1260 E HN 0.123 nan 8.360 nan 0.000 0.406 1261 V N 3.079 122.770 119.914 -0.371 0.000 2.461 1261 V HA 0.270 4.390 4.120 -0.000 0.000 0.275 1261 V C -0.702 175.078 176.094 -0.523 0.000 1.047 1261 V CA -0.066 62.059 62.300 -0.292 0.000 0.955 1261 V CB -0.253 31.389 31.823 -0.302 0.000 0.988 1261 V HN 0.512 nan 8.190 nan 0.000 0.471 1262 Y N 4.098 124.450 120.300 0.087 0.000 2.609 1262 Y HA 0.491 5.041 4.550 -0.000 0.000 0.342 1262 Y C -2.420 173.552 175.900 0.120 0.000 1.058 1262 Y CA -2.727 55.417 58.100 0.074 0.000 1.055 1262 Y CB 2.098 40.589 38.460 0.050 0.000 1.292 1262 Y HN 0.414 nan 8.280 nan 0.000 0.476 1263 P HA 0.029 nan 4.420 nan 0.000 0.269 1263 P C -2.521 174.885 177.300 0.177 0.000 1.215 1263 P CA -0.745 62.475 63.100 0.201 0.000 0.780 1263 P CB 0.055 31.855 31.700 0.167 0.000 0.898 1264 P HA 0.027 nan 4.420 nan 0.000 0.274 1264 P C -0.379 176.956 177.300 0.057 0.000 1.256 1264 P CA -0.073 63.074 63.100 0.078 0.000 0.795 1264 P CB 0.499 32.224 31.700 0.041 0.000 1.038 1265 S N -0.610 115.106 115.700 0.026 0.000 2.632 1265 S HA 0.125 4.595 4.470 -0.000 0.000 0.267 1265 S C 1.385 175.989 174.600 0.006 0.000 1.276 1265 S CA -0.658 57.544 58.200 0.004 0.000 0.998 1265 S CB 0.188 63.375 63.200 -0.022 0.000 0.953 1265 S HN 0.208 nan 8.310 nan 0.000 0.547 1266 V N 1.740 121.653 119.914 -0.002 0.000 2.867 1266 V HA -0.125 3.994 4.120 -0.000 0.000 0.260 1266 V C 2.429 178.521 176.094 -0.003 0.000 1.099 1266 V CA 1.982 64.285 62.300 0.007 0.000 1.122 1266 V CB -1.304 30.523 31.823 0.007 0.000 0.708 1266 V HN 0.885 nan 8.190 nan 0.000 0.490 1267 E N -0.447 119.745 120.200 -0.014 0.000 2.072 1267 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 1267 E C 2.170 178.765 176.600 -0.008 0.000 0.982 1267 E CA 0.964 57.355 56.400 -0.014 0.000 0.803 1267 E CB -0.033 29.653 29.700 -0.022 0.000 0.755 1267 E HN 0.551 nan 8.360 nan 0.000 0.453 1268 E N 0.090 120.286 120.200 -0.007 0.000 2.230 1268 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 1268 E C 0.338 176.941 176.600 0.005 0.000 0.987 1268 E CA 0.348 56.744 56.400 -0.007 0.000 0.841 1268 E CB 0.530 30.219 29.700 -0.019 0.000 0.783 1268 E HN 0.061 nan 8.360 nan 0.000 0.481 1269 A N 2.309 125.137 122.820 0.013 0.000 2.802 1269 A HA 0.414 4.734 4.320 -0.000 0.000 0.344 1269 A C -2.486 175.112 177.584 0.022 0.000 1.215 1269 A CA -1.511 50.540 52.037 0.024 0.000 0.821 1269 A CB 0.446 19.465 19.000 0.030 0.000 1.099 1269 A HN -0.195 nan 8.150 nan 0.000 0.479 1270 P HA 0.114 nan 4.420 nan 0.000 0.248 1270 P C -0.472 176.836 177.300 0.013 0.000 1.550 1270 P CA 0.824 63.932 63.100 0.014 0.000 1.252 1270 P CB 0.089 31.797 31.700 0.013 0.000 1.869 1271 V N 3.785 123.705 119.914 0.009 0.000 2.823 1271 V HA 0.253 4.373 4.120 -0.000 0.000 0.312 1271 V C -0.058 176.026 176.094 -0.017 0.000 1.072 1271 V CA -1.190 61.107 62.300 -0.005 0.000 0.937 1271 V CB 2.702 34.522 31.823 -0.005 0.000 1.013 1271 V HN 0.216 nan 8.190 nan 0.000 0.430 1272 L N 6.025 127.219 121.223 -0.048 0.000 2.477 1272 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 1272 L C -0.717 176.064 176.870 -0.148 0.000 1.157 1272 L CA 0.852 55.644 54.840 -0.080 0.000 0.889 1272 L CB 0.692 42.691 42.059 -0.100 0.000 1.158 1272 L HN 0.584 nan 8.230 nan 0.000 0.473 1273 M N 5.084 124.629 119.600 -0.093 0.000 2.464 1273 M HA 0.306 4.786 4.480 -0.000 0.000 0.308 1273 M C -0.672 175.568 176.300 -0.100 0.000 1.127 1273 M CA -0.632 54.602 55.300 -0.110 0.000 0.913 1273 M CB 1.762 34.465 32.600 0.171 0.000 1.689 1273 M HN 0.412 nan 8.290 nan 0.000 0.445 1274 H N 3.231 122.263 119.070 -0.063 0.000 3.008 1274 H HA 0.370 4.926 4.556 -0.000 0.000 0.268 1274 H C -1.234 174.019 175.328 -0.125 0.000 1.323 1274 H CA 0.218 56.242 56.048 -0.040 0.000 1.401 1274 H CB -0.415 29.349 29.762 0.002 0.000 1.556 1274 H HN 0.396 nan 8.280 nan 0.000 0.502 1275 Y N 1.970 122.337 120.300 0.112 0.000 2.524 1275 Y HA 0.296 4.846 4.550 -0.000 0.000 0.344 1275 Y C -1.790 173.973 175.900 -0.228 0.000 1.012 1275 Y CA -2.546 55.515 58.100 -0.065 0.000 1.068 1275 Y CB 1.260 39.706 38.460 -0.023 0.000 1.249 1275 Y HN 0.426 nan 8.280 nan 0.000 0.468 1276 P HA 0.126 nan 4.420 nan 0.000 0.268 1276 P C -0.462 176.779 177.300 -0.098 0.000 1.205 1276 P CA -0.316 62.623 63.100 -0.269 0.000 0.771 1276 P CB 0.536 32.002 31.700 -0.390 0.000 0.858 1277 R N 2.017 122.478 120.500 -0.066 0.000 2.585 1277 R HA 0.247 4.587 4.340 -0.000 0.000 0.275 1277 R C 1.499 177.773 176.300 -0.042 0.000 1.018 1277 R CA 1.377 57.456 56.100 -0.035 0.000 1.072 1277 R CB -0.655 29.630 30.300 -0.026 0.000 0.953 1277 R HN 0.918 nan 8.270 nan 0.000 0.419 1278 G N 2.170 110.949 108.800 -0.036 0.000 2.201 1278 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.212 1278 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.212 1278 G C 0.235 175.105 174.900 -0.049 0.000 0.994 1278 G CA -0.415 44.662 45.100 -0.038 0.000 0.644 1278 G HN 0.504 nan 8.290 nan 0.000 0.508 1279 I N 3.943 124.475 120.570 -0.063 0.000 2.325 1279 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 1279 I C -1.455 174.594 176.117 -0.113 0.000 1.019 1279 I CA -2.074 59.168 61.300 -0.096 0.000 1.302 1279 I CB 1.210 39.132 38.000 -0.130 0.000 1.401 1279 I HN -0.042 nan 8.210 nan 0.000 0.485 1280 P HA 0.071 nan 4.420 nan 0.000 0.265 1280 P C -2.351 174.869 177.300 -0.132 0.000 1.193 1280 P CA -1.061 61.981 63.100 -0.097 0.000 0.765 1280 P CB 0.262 31.914 31.700 -0.080 0.000 0.823 1281 P HA -0.210 nan 4.420 nan 0.000 0.216 1281 P C 1.754 178.985 177.300 -0.115 0.000 1.150 1281 P CA 1.719 64.756 63.100 -0.106 0.000 0.843 1281 P CB -0.179 31.485 31.700 -0.061 0.000 0.787 1282 Q N -0.960 118.784 119.800 -0.093 0.000 2.291 1282 Q HA -0.039 4.301 4.340 -0.000 0.000 0.206 1282 Q C 1.385 177.319 176.000 -0.109 0.000 0.976 1282 Q CA 1.501 57.254 55.803 -0.082 0.000 0.875 1282 Q CB -1.282 27.419 28.738 -0.062 0.000 0.927 1282 Q HN 0.208 nan 8.270 nan 0.000 0.450 1283 S N 0.507 116.115 115.700 -0.155 0.000 2.556 1283 S HA 0.095 4.565 4.470 -0.000 0.000 0.216 1283 S C 0.161 174.580 174.600 -0.302 0.000 0.970 1283 S CA -0.132 57.956 58.200 -0.187 0.000 0.912 1283 S CB 0.250 63.346 63.200 -0.174 0.000 0.790 1283 S HN 0.381 nan 8.310 nan 0.000 0.504 1284 Q N 1.103 120.689 119.800 -0.357 0.000 2.278 1284 Q HA 0.461 4.801 4.340 -0.000 0.000 0.257 1284 Q C -0.703 175.219 176.000 -0.129 0.000 0.928 1284 Q CA 0.079 55.558 55.803 -0.540 0.000 0.932 1284 Q CB 1.290 29.684 28.738 -0.573 0.000 1.221 1284 Q HN 0.314 nan 8.270 nan 0.000 0.434 1285 M N 1.544 121.179 119.600 0.059 0.000 2.277 1285 M HA 0.498 4.978 4.480 -0.000 0.000 0.350 1285 M C -0.449 175.959 176.300 0.179 0.000 1.180 1285 M CA -0.590 54.783 55.300 0.121 0.000 1.103 1285 M CB 1.501 34.181 32.600 0.135 0.000 1.577 1285 M HN 0.637 nan 8.290 nan 0.000 0.459 1286 A N 3.326 126.215 122.820 0.115 0.000 2.249 1286 A HA 0.719 5.039 4.320 -0.000 0.000 0.314 1286 A C -0.515 177.114 177.584 0.075 0.000 1.290 1286 A CA -0.590 51.500 52.037 0.090 0.000 0.893 1286 A CB 0.356 19.390 19.000 0.057 0.000 1.165 1286 A HN 0.751 nan 8.150 nan 0.000 0.530 1287 V N 0.024 119.968 119.914 0.050 0.000 3.167 1287 V HA 0.866 4.986 4.120 -0.000 0.000 0.310 1287 V C 1.136 177.191 176.094 -0.065 0.000 1.207 1287 V CA -0.074 62.242 62.300 0.027 0.000 1.059 1287 V CB 1.005 32.897 31.823 0.114 0.000 1.079 1287 V HN 0.998 nan 8.190 nan 0.000 0.446 1288 G N -0.682 108.054 108.800 -0.107 0.000 2.469 1288 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.219 1288 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.219 1288 G C 0.729 175.465 174.900 -0.272 0.000 1.150 1288 G CA 0.850 45.854 45.100 -0.161 0.000 0.763 1288 G HN 0.688 nan 8.290 nan 0.000 0.561 1289 Q N 0.357 119.851 119.800 -0.510 0.000 2.331 1289 Q HA 0.226 4.566 4.340 -0.000 0.000 0.257 1289 Q C 0.877 176.523 176.000 -0.590 0.000 0.957 1289 Q CA -0.196 55.133 55.803 -0.791 0.000 0.923 1289 Q CB 1.554 29.175 28.738 -1.861 0.000 1.212 1289 Q HN 0.413 nan 8.270 nan 0.000 0.443 1290 E N 1.371 121.342 120.200 -0.381 0.000 2.267 1290 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 1290 E C 1.479 177.947 176.600 -0.220 0.000 0.998 1290 E CA 1.250 57.447 56.400 -0.338 0.000 0.830 1290 E CB -0.074 29.319 29.700 -0.512 0.000 0.751 1290 E HN 0.485 nan 8.360 nan 0.000 0.491 1291 V N -2.300 117.551 119.914 -0.105 0.000 3.647 1291 V HA 0.108 4.228 4.120 -0.000 0.000 0.279 1291 V C 1.036 177.212 176.094 0.137 0.000 1.314 1291 V CA 0.134 62.484 62.300 0.083 0.000 1.125 1291 V CB -0.528 31.407 31.823 0.187 0.000 0.907 1291 V HN -0.016 nan 8.190 nan 0.000 0.434 1292 F N 2.763 122.648 119.950 -0.107 0.000 2.641 1292 F HA 0.270 4.797 4.527 -0.000 0.000 0.298 1292 F C 2.255 177.952 175.800 -0.173 0.000 1.146 1292 F CA 0.540 58.468 58.000 -0.121 0.000 1.464 1292 F CB -1.229 37.749 39.000 -0.037 0.000 1.101 1292 F HN 0.409 nan 8.300 nan 0.000 0.585 1293 G N -0.428 108.320 108.800 -0.085 0.000 2.650 1293 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 1293 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 1293 G C 1.738 176.503 174.900 -0.226 0.000 1.136 1293 G CA 0.209 45.200 45.100 -0.181 0.000 0.789 1293 G HN 0.354 nan 8.290 nan 0.000 0.536 1294 L N -0.299 120.666 121.223 -0.429 0.000 2.079 1294 L HA 0.246 4.586 4.340 -0.000 0.000 0.210 1294 L C 0.514 176.943 176.870 -0.735 0.000 1.081 1294 L CA 1.462 55.710 54.840 -0.987 0.000 0.752 1294 L CB -0.035 41.651 42.059 -0.621 0.000 0.896 1294 L HN 0.068 nan 8.230 nan 0.000 0.433 1295 L N -1.429 119.491 121.223 -0.506 0.000 2.455 1295 L HA 0.339 4.679 4.340 -0.000 0.000 0.264 1295 L C -1.866 174.616 176.870 -0.647 0.000 0.968 1295 L CA -1.621 52.840 54.840 -0.631 0.000 0.827 1295 L CB 1.705 43.473 42.059 -0.485 0.000 1.317 1295 L HN -0.317 nan 8.230 nan 0.000 0.407 1296 P HA -0.112 nan 4.420 nan 0.000 0.218 1296 P C 1.429 178.431 177.300 -0.496 0.000 1.149 1296 P CA 1.096 63.845 63.100 -0.584 0.000 0.817 1296 P CB 0.326 31.641 31.700 -0.642 0.000 0.785 1297 G N -0.680 107.607 108.800 -0.856 0.000 2.432 1297 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 1297 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 1297 G C 1.305 175.821 174.900 -0.641 0.000 1.135 1297 G CA 0.487 44.839 45.100 -1.248 0.000 0.767 1297 G HN 0.152 nan 8.290 nan 0.000 0.550 1298 L N -0.422 120.480 121.223 -0.537 0.000 2.095 1298 L HA 0.280 4.620 4.340 -0.000 0.000 0.204 1298 L C 2.636 179.305 176.870 -0.334 0.000 1.080 1298 L CA 1.204 55.766 54.840 -0.464 0.000 0.759 1298 L CB -0.707 41.001 42.059 -0.585 0.000 0.914 1298 L HN 0.198 nan 8.230 nan 0.000 0.439 1299 M N -1.128 118.339 119.600 -0.222 0.000 2.296 1299 M HA -0.131 4.349 4.480 -0.000 0.000 0.265 1299 M C 1.900 178.164 176.300 -0.061 0.000 1.064 1299 M CA 1.328 56.589 55.300 -0.065 0.000 1.109 1299 M CB -0.469 32.108 32.600 -0.038 0.000 1.396 1299 M HN 0.163 nan 8.290 nan 0.000 0.430 1300 L N -0.950 120.192 121.223 -0.135 0.000 2.017 1300 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 1300 L C 1.872 178.614 176.870 -0.213 0.000 1.073 1300 L CA 2.115 56.872 54.840 -0.138 0.000 0.745 1300 L CB -1.032 40.941 42.059 -0.142 0.000 0.894 1300 L HN 0.288 nan 8.230 nan 0.000 0.432 1301 Y N 0.338 120.483 120.300 -0.257 0.000 2.293 1301 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 1301 Y C 2.699 178.440 175.900 -0.265 0.000 1.137 1301 Y CA 1.350 59.219 58.100 -0.386 0.000 1.202 1301 Y CB -0.625 37.339 38.460 -0.828 0.000 0.990 1301 Y HN 0.312 nan 8.280 nan 0.000 0.537 1302 A N -0.821 121.980 122.820 -0.033 0.000 1.933 1302 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 1302 A C 2.278 179.943 177.584 0.135 0.000 1.175 1302 A CA 2.231 54.376 52.037 0.181 0.000 0.628 1302 A CB -1.080 18.074 19.000 0.258 0.000 0.814 1302 A HN 0.394 nan 8.150 nan 0.000 0.444 1303 T N 0.222 114.817 114.554 0.067 0.000 2.770 1303 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 1303 T C 1.810 176.495 174.700 -0.024 0.000 1.039 1303 T CA 1.388 63.515 62.100 0.045 0.000 1.142 1303 T CB -0.371 68.533 68.868 0.061 0.000 0.868 1303 T HN 0.421 nan 8.240 nan 0.000 0.435 1304 I N -0.563 119.952 120.570 -0.092 0.000 2.127 1304 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 1304 I C 2.248 178.274 176.117 -0.152 0.000 1.075 1304 I CA 1.567 62.751 61.300 -0.194 0.000 1.334 1304 I CB -0.344 37.454 38.000 -0.337 0.000 1.040 1304 I HN 0.337 nan 8.210 nan 0.000 0.405 1305 W N 0.570 121.875 121.300 0.009 0.000 2.388 1305 W HA -0.143 4.517 4.660 -0.000 0.000 0.294 1305 W C 2.474 179.008 176.519 0.026 0.000 1.212 1305 W CA 0.601 57.964 57.345 0.031 0.000 1.271 1305 W CB -0.281 29.184 29.460 0.010 0.000 1.126 1305 W HN 0.132 nan 8.180 nan 0.000 0.535 1306 L N 0.584 121.932 121.223 0.209 0.000 2.056 1306 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 1306 L C 2.548 179.499 176.870 0.136 0.000 1.078 1306 L CA 1.674 56.603 54.840 0.149 0.000 0.749 1306 L CB -0.331 41.791 42.059 0.105 0.000 0.901 1306 L HN -0.116 nan 8.230 nan 0.000 0.433 1307 R N -0.312 120.214 120.500 0.043 0.000 2.081 1307 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 1307 R C 2.223 178.534 176.300 0.019 0.000 1.131 1307 R CA 1.642 57.726 56.100 -0.027 0.000 0.960 1307 R CB -0.249 29.987 30.300 -0.106 0.000 0.856 1307 R HN 0.377 nan 8.270 nan 0.000 0.436 1308 E N -0.309 119.922 120.200 0.051 0.000 2.077 1308 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 1308 E C 1.694 178.394 176.600 0.167 0.000 0.989 1308 E CA 1.848 58.297 56.400 0.083 0.000 0.800 1308 E CB -0.203 29.549 29.700 0.088 0.000 0.746 1308 E HN 0.456 nan 8.360 nan 0.000 0.452 1309 H N -0.070 119.105 119.070 0.175 0.000 2.290 1309 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 1309 H C 1.660 177.075 175.328 0.145 0.000 1.087 1309 H CA 2.387 58.555 56.048 0.199 0.000 1.291 1309 H CB -0.204 29.702 29.762 0.239 0.000 1.369 1309 H HN 0.151 nan 8.280 nan 0.000 0.492 1310 N N 0.142 118.950 118.700 0.179 0.000 2.223 1310 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 1310 N C 2.000 177.510 175.510 0.000 0.000 1.016 1310 N CA 1.032 54.133 53.050 0.086 0.000 0.863 1310 N CB -0.358 38.167 38.487 0.063 0.000 0.983 1310 N HN 0.426 nan 8.380 nan 0.000 0.429 1311 R N 0.642 121.140 120.500 -0.004 0.000 2.075 1311 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 1311 R C 1.635 177.929 176.300 -0.011 0.000 1.126 1311 R CA 0.959 57.049 56.100 -0.017 0.000 0.963 1311 R CB -0.138 30.151 30.300 -0.018 0.000 0.858 1311 R HN -0.016 nan 8.270 nan 0.000 0.435 1312 V N 0.207 120.114 119.914 -0.011 0.000 2.427 1312 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 1312 V C 2.492 178.573 176.094 -0.021 0.000 1.051 1312 V CA 1.571 63.869 62.300 -0.004 0.000 1.048 1312 V CB -0.419 31.412 31.823 0.014 0.000 0.666 1312 V HN 0.533 nan 8.190 nan 0.000 0.456 1313 C N 0.078 119.335 119.300 -0.072 0.000 2.413 1313 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 1313 C C 2.521 177.525 174.990 0.023 0.000 1.265 1313 C CA 1.014 60.020 59.018 -0.020 0.000 1.752 1313 C CB -1.034 26.700 27.740 -0.010 0.000 1.998 1313 C HN 0.601 nan 8.230 nan 0.000 0.489 1314 D N 0.689 121.095 120.400 0.009 0.000 2.097 1314 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 1314 D C 2.089 178.385 176.300 -0.007 0.000 0.989 1314 D CA 1.067 55.070 54.000 0.006 0.000 0.827 1314 D CB -0.446 40.351 40.800 -0.005 0.000 0.966 1314 D HN 0.440 nan 8.370 nan 0.000 0.456 1315 L N 0.025 121.242 121.223 -0.008 0.000 2.083 1315 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 1315 L C 2.293 179.143 176.870 -0.034 0.000 1.083 1315 L CA 0.374 55.202 54.840 -0.020 0.000 0.752 1315 L CB -0.221 41.836 42.059 -0.004 0.000 0.899 1315 L HN 0.069 nan 8.230 nan 0.000 0.433 1316 L N 0.128 121.351 121.223 0.001 0.000 2.027 1316 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 1316 L C 2.545 179.370 176.870 -0.074 0.000 1.074 1316 L CA 1.703 56.546 54.840 0.005 0.000 0.745 1316 L CB -0.893 41.235 42.059 0.115 0.000 0.898 1316 L HN 0.197 nan 8.230 nan 0.000 0.433 1317 K N -0.698 119.689 120.400 -0.022 0.000 2.103 1317 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 1317 K C 1.987 178.530 176.600 -0.095 0.000 1.048 1317 K CA 1.292 57.561 56.287 -0.030 0.000 0.930 1317 K CB -0.038 32.478 32.500 0.027 0.000 0.716 1317 K HN 0.292 nan 8.250 nan 0.000 0.444 1318 A N 0.644 123.404 122.820 -0.100 0.000 1.972 1318 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 1318 A C 1.910 179.373 177.584 -0.202 0.000 1.169 1318 A CA 1.767 53.734 52.037 -0.116 0.000 0.635 1318 A CB -0.357 18.590 19.000 -0.089 0.000 0.810 1318 A HN 0.415 nan 8.150 nan 0.000 0.446 1319 E N -0.688 119.323 120.200 -0.314 0.000 2.170 1319 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 1319 E C -0.198 175.889 176.600 -0.854 0.000 0.981 1319 E CA 0.736 56.795 56.400 -0.568 0.000 0.830 1319 E CB 0.013 29.302 29.700 -0.686 0.000 0.775 1319 E HN 0.776 nan 8.360 nan 0.000 0.470 1320 H N -0.600 118.181 119.070 -0.482 0.000 2.423 1320 H HA 0.193 4.749 4.556 -0.000 0.000 0.237 1320 H C -1.948 173.160 175.328 -0.366 0.000 1.391 1320 H CA -1.651 54.001 56.048 -0.660 0.000 1.453 1320 H CB 1.218 29.930 29.762 -1.750 0.000 1.484 1320 H HN 0.100 nan 8.280 nan 0.000 0.505 1321 P HA -0.166 nan 4.420 nan 0.000 0.222 1321 P C 1.383 178.717 177.300 0.057 0.000 1.147 1321 P CA 1.198 64.287 63.100 -0.019 0.000 0.790 1321 P CB 0.303 31.986 31.700 -0.028 0.000 0.780 1322 T N -6.727 107.881 114.554 0.089 0.000 3.088 1322 T HA -0.013 4.337 4.350 -0.000 0.000 0.259 1322 T C 0.536 175.418 174.700 0.305 0.000 1.122 1322 T CA -0.361 61.840 62.100 0.169 0.000 1.095 1322 T CB -0.626 68.342 68.868 0.167 0.000 0.930 1322 T HN -0.136 nan 8.240 nan 0.000 0.508 1323 W N 2.416 123.755 121.300 0.065 0.000 2.158 1323 W HA 0.630 5.290 4.660 -0.000 0.000 0.339 1323 W C 1.092 177.637 176.519 0.043 0.000 1.294 1323 W CA -0.870 56.499 57.345 0.039 0.000 1.231 1323 W CB -0.021 29.458 29.460 0.032 0.000 1.143 1323 W HN 0.267 nan 8.180 nan 0.000 0.571 1324 G N 0.933 109.866 108.800 0.220 0.000 2.522 1324 G HA2 0.127 4.087 3.960 -0.000 0.000 0.304 1324 G HA3 0.127 4.087 3.960 -0.000 0.000 0.304 1324 G C 0.360 175.352 174.900 0.154 0.000 1.210 1324 G CA -0.186 45.000 45.100 0.144 0.000 0.960 1324 G HN 0.483 nan 8.290 nan 0.000 0.497 1325 D N -0.894 119.590 120.400 0.140 0.000 2.116 1325 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 1325 D C 2.022 178.420 176.300 0.162 0.000 0.998 1325 D CA 1.609 55.705 54.000 0.160 0.000 0.836 1325 D CB 0.179 41.076 40.800 0.161 0.000 0.951 1325 D HN 0.306 nan 8.370 nan 0.000 0.449 1326 E N 0.190 120.459 120.200 0.116 0.000 2.033 1326 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 1326 E C 2.068 178.715 176.600 0.078 0.000 1.011 1326 E CA 1.118 57.582 56.400 0.107 0.000 0.815 1326 E CB -0.551 29.180 29.700 0.051 0.000 0.755 1326 E HN 0.550 nan 8.360 nan 0.000 0.451 1327 Q N 0.158 119.918 119.800 -0.066 0.000 2.124 1327 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 1327 Q C 2.483 178.403 176.000 -0.132 0.000 0.977 1327 Q CA 1.012 56.645 55.803 -0.285 0.000 0.850 1327 Q CB -0.077 28.224 28.738 -0.727 0.000 0.901 1327 Q HN 0.224 nan 8.270 nan 0.000 0.429 1328 L N -0.290 121.014 121.223 0.134 0.000 2.017 1328 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 1328 L C 2.332 179.310 176.870 0.179 0.000 1.073 1328 L CA 1.399 56.410 54.840 0.286 0.000 0.745 1328 L CB -0.574 41.664 42.059 0.300 0.000 0.894 1328 L HN 0.321 nan 8.230 nan 0.000 0.432 1329 F N 0.570 120.569 119.950 0.082 0.000 2.075 1329 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 1329 F C 2.741 178.571 175.800 0.050 0.000 1.113 1329 F CA 1.592 59.660 58.000 0.113 0.000 1.218 1329 F CB -0.240 38.791 39.000 0.052 0.000 0.984 1329 F HN 0.041 nan 8.300 nan 0.000 0.472 1330 Q N 0.043 119.810 119.800 -0.055 0.000 2.084 1330 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1330 Q C 2.257 178.120 176.000 -0.229 0.000 0.978 1330 Q CA 2.270 57.953 55.803 -0.200 0.000 0.844 1330 Q CB -1.271 27.423 28.738 -0.074 0.000 0.898 1330 Q HN 0.433 nan 8.270 nan 0.000 0.426 1331 T N 1.323 115.792 114.554 -0.142 0.000 2.821 1331 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 1331 T C 1.889 176.596 174.700 0.011 0.000 1.046 1331 T CA 1.282 63.347 62.100 -0.058 0.000 1.139 1331 T CB -0.216 68.700 68.868 0.080 0.000 0.871 1331 T HN 0.401 nan 8.240 nan 0.000 0.454 1332 A N 1.801 124.598 122.820 -0.037 0.000 1.933 1332 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 1332 A C 2.295 179.897 177.584 0.030 0.000 1.175 1332 A CA 1.733 53.743 52.037 -0.044 0.000 0.628 1332 A CB -0.591 18.215 19.000 -0.323 0.000 0.814 1332 A HN 0.433 nan 8.150 nan 0.000 0.444 1333 R N -0.234 120.177 120.500 -0.148 0.000 2.091 1333 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 1333 R C 1.908 178.236 176.300 0.047 0.000 1.136 1333 R CA 1.620 57.619 56.100 -0.169 0.000 0.959 1333 R CB -0.426 29.416 30.300 -0.762 0.000 0.856 1333 R HN 0.516 nan 8.270 nan 0.000 0.437 1334 L N 0.316 121.559 121.223 0.034 0.000 2.046 1334 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 1334 L C 2.456 179.592 176.870 0.442 0.000 1.077 1334 L CA 1.198 56.143 54.840 0.174 0.000 0.747 1334 L CB -0.339 41.707 42.059 -0.020 0.000 0.896 1334 L HN 0.270 nan 8.230 nan 0.000 0.432 1335 I N -0.640 120.183 120.570 0.422 0.000 2.226 1335 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 1335 I C 2.315 178.646 176.117 0.358 0.000 1.100 1335 I CA 1.125 62.686 61.300 0.435 0.000 1.374 1335 I CB -0.118 38.073 38.000 0.318 0.000 1.057 1335 I HN 0.180 nan 8.210 nan 0.000 0.413 1336 L N 0.186 121.614 121.223 0.342 0.000 2.141 1336 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 1336 L C 2.265 179.304 176.870 0.282 0.000 1.094 1336 L CA 1.685 56.751 54.840 0.376 0.000 0.763 1336 L CB -0.496 41.808 42.059 0.408 0.000 0.908 1336 L HN 0.166 nan 8.230 nan 0.000 0.437 1337 I N -1.049 119.689 120.570 0.281 0.000 2.226 1337 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 1337 I C 2.458 178.751 176.117 0.294 0.000 1.100 1337 I CA 1.447 62.898 61.300 0.252 0.000 1.374 1337 I CB -0.839 37.324 38.000 0.272 0.000 1.057 1337 I HN 0.342 nan 8.210 nan 0.000 0.413 1338 G N 0.073 109.112 108.800 0.398 0.000 2.402 1338 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 1338 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 1338 G C 1.519 176.618 174.900 0.331 0.000 1.162 1338 G CA 0.457 45.816 45.100 0.431 0.000 0.777 1338 G HN 0.390 nan 8.290 nan 0.000 0.539 1339 E N -0.101 120.298 120.200 0.331 0.000 2.110 1339 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 1339 E C 2.764 179.590 176.600 0.377 0.000 0.988 1339 E CA 1.407 58.019 56.400 0.353 0.000 0.804 1339 E CB -0.139 29.817 29.700 0.427 0.000 0.745 1339 E HN 0.348 nan 8.360 nan 0.000 0.458 1340 T N 1.310 116.073 114.554 0.349 0.000 2.708 1340 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 1340 T C 1.992 176.766 174.700 0.124 0.000 1.037 1340 T CA 0.947 63.221 62.100 0.290 0.000 1.146 1340 T CB -0.192 68.735 68.868 0.098 0.000 0.865 1340 T HN 0.108 nan 8.240 nan 0.000 0.435 1341 I N 0.928 121.495 120.570 -0.005 0.000 2.286 1341 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 1341 I C 2.542 178.378 176.117 -0.469 0.000 1.115 1341 I CA 1.142 62.267 61.300 -0.292 0.000 1.392 1341 I CB -0.292 37.391 38.000 -0.528 0.000 1.065 1341 I HN 0.145 nan 8.210 nan 0.000 0.418 1342 K N 1.906 122.122 120.400 -0.306 0.000 2.009 1342 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 1342 K C 1.869 178.516 176.600 0.079 0.000 1.049 1342 K CA 1.863 58.159 56.287 0.016 0.000 0.929 1342 K CB -0.432 32.246 32.500 0.297 0.000 0.714 1342 K HN 0.249 nan 8.250 nan 0.000 0.440 1343 I N 0.085 120.728 120.570 0.123 0.000 2.315 1343 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 1343 I C 2.074 178.244 176.117 0.088 0.000 1.117 1343 I CA 0.802 62.187 61.300 0.142 0.000 1.404 1343 I CB -0.164 37.976 38.000 0.235 0.000 1.071 1343 I HN -0.016 nan 8.210 nan 0.000 0.419 1344 V N 1.125 121.028 119.914 -0.017 0.000 2.343 1344 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 1344 V C 2.260 178.390 176.094 0.060 0.000 1.051 1344 V CA 1.916 64.135 62.300 -0.135 0.000 1.036 1344 V CB -0.330 31.261 31.823 -0.387 0.000 0.654 1344 V HN 0.330 nan 8.190 nan 0.000 0.451 1345 I N -0.425 120.166 120.570 0.034 0.000 2.233 1345 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 1345 I C 2.392 178.583 176.117 0.124 0.000 1.093 1345 I CA 1.471 62.827 61.300 0.094 0.000 1.380 1345 I CB -0.310 37.741 38.000 0.086 0.000 1.067 1345 I HN 0.335 nan 8.210 nan 0.000 0.413 1346 E N 0.114 120.390 120.200 0.128 0.000 2.435 1346 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 1346 E C 1.376 178.053 176.600 0.128 0.000 1.029 1346 E CA 0.610 57.083 56.400 0.122 0.000 0.865 1346 E CB 0.305 30.079 29.700 0.123 0.000 0.833 1346 E HN 0.556 nan 8.360 nan 0.000 0.510 1347 E N -0.930 119.380 120.200 0.184 0.000 2.564 1347 E HA -0.005 4.345 4.350 -0.000 0.000 0.203 1347 E C 1.337 178.189 176.600 0.419 0.000 0.867 1347 E CA -0.143 56.418 56.400 0.269 0.000 1.250 1347 E CB -0.014 29.826 29.700 0.233 0.000 1.215 1347 E HN 0.080 nan 8.360 nan 0.000 0.566 1348 Y N 1.966 122.376 120.300 0.183 0.000 2.109 1348 Y HA -0.207 4.343 4.550 -0.000 0.000 0.285 1348 Y C 2.141 178.110 175.900 0.115 0.000 1.131 1348 Y CA 1.568 59.636 58.100 -0.054 0.000 1.121 1348 Y CB -0.174 38.076 38.460 -0.350 0.000 0.987 1348 Y HN -0.197 nan 8.280 nan 0.000 0.495 1349 V N 0.576 120.663 119.914 0.289 0.000 2.515 1349 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 1349 V C 2.239 178.326 176.094 -0.012 0.000 1.058 1349 V CA 1.973 64.365 62.300 0.153 0.000 1.064 1349 V CB -0.767 31.170 31.823 0.190 0.000 0.675 1349 V HN 0.405 nan 8.190 nan 0.000 0.461 1350 Q N 0.525 120.342 119.800 0.028 0.000 2.050 1350 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 1350 Q C 2.238 178.195 176.000 -0.072 0.000 0.980 1350 Q CA 2.336 58.124 55.803 -0.025 0.000 0.840 1350 Q CB -0.413 28.351 28.738 0.044 0.000 0.898 1350 Q HN 0.646 nan 8.270 nan 0.000 0.424 1351 Q N -0.363 119.416 119.800 -0.035 0.000 2.084 1351 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 1351 Q C 1.867 177.682 176.000 -0.309 0.000 0.978 1351 Q CA 1.650 57.382 55.803 -0.119 0.000 0.844 1351 Q CB -0.598 28.088 28.738 -0.088 0.000 0.898 1351 Q HN 0.475 nan 8.270 nan 0.000 0.426 1352 L N 0.196 121.203 121.223 -0.360 0.000 2.017 1352 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 1352 L C 2.313 178.987 176.870 -0.326 0.000 1.073 1352 L CA 2.307 56.895 54.840 -0.420 0.000 0.745 1352 L CB -0.859 41.068 42.059 -0.221 0.000 0.894 1352 L HN 0.458 nan 8.230 nan 0.000 0.432 1353 S N -0.960 114.546 115.700 -0.325 0.000 2.406 1353 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 1353 S C 1.775 176.174 174.600 -0.334 0.000 1.020 1353 S CA 0.653 58.537 58.200 -0.526 0.000 0.965 1353 S CB -0.805 61.631 63.200 -1.275 0.000 0.798 1353 S HN 0.813 nan 8.310 nan 0.000 0.488 1354 G N 0.203 108.861 108.800 -0.236 0.000 2.155 1354 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 1354 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 1354 G C 0.057 174.904 174.900 -0.088 0.000 0.983 1354 G CA 0.401 45.426 45.100 -0.124 0.000 0.676 1354 G HN 0.683 nan 8.290 nan 0.000 0.528 1355 Y N -0.921 119.210 120.300 -0.281 0.000 2.480 1355 Y HA 0.307 4.857 4.550 -0.000 0.000 0.338 1355 Y C 1.473 177.206 175.900 -0.279 0.000 1.220 1355 Y CA -0.949 56.893 58.100 -0.431 0.000 1.430 1355 Y CB 0.313 38.547 38.460 -0.376 0.000 1.311 1355 Y HN 0.003 nan 8.280 nan 0.000 0.575 1356 F N 1.139 120.751 119.950 -0.563 0.000 2.743 1356 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 1356 F C 0.622 176.070 175.800 -0.586 0.000 1.131 1356 F CA -0.293 57.369 58.000 -0.563 0.000 1.426 1356 F CB -0.458 38.146 39.000 -0.660 0.000 1.116 1356 F HN 0.266 nan 8.300 nan 0.000 0.583 1357 L N 1.290 122.108 121.223 -0.674 0.000 2.410 1357 L HA 0.120 4.460 4.340 -0.000 0.000 0.273 1357 L C 0.507 177.317 176.870 -0.101 0.000 1.152 1357 L CA 0.076 54.658 54.840 -0.429 0.000 0.855 1357 L CB 0.369 42.105 42.059 -0.539 0.000 1.129 1357 L HN 0.143 nan 8.230 nan 0.000 0.463 1358 Q N 5.118 124.914 119.800 -0.006 0.000 2.369 1358 Q HA 0.290 4.630 4.340 -0.000 0.000 0.247 1358 Q C -0.798 175.221 176.000 0.033 0.000 1.083 1358 Q CA -0.409 55.404 55.803 0.017 0.000 0.905 1358 Q CB 0.314 29.067 28.738 0.024 0.000 1.305 1358 Q HN 0.763 nan 8.270 nan 0.000 0.465 1359 L N 3.326 124.574 121.223 0.042 0.000 2.483 1359 L HA 0.167 4.507 4.340 -0.000 0.000 0.275 1359 L C 0.176 177.089 176.870 0.072 0.000 1.220 1359 L CA 0.545 55.422 54.840 0.062 0.000 0.833 1359 L CB 0.240 42.340 42.059 0.068 0.000 1.102 1359 L HN 0.551 nan 8.230 nan 0.000 0.490 1360 K N 1.817 122.266 120.400 0.082 0.000 2.513 1360 K HA 0.318 4.638 4.320 -0.000 0.000 0.251 1360 K C -1.544 175.138 176.600 0.136 0.000 0.939 1360 K CA -0.694 55.645 56.287 0.087 0.000 0.793 1360 K CB 1.593 34.114 32.500 0.035 0.000 1.241 1360 K HN 0.304 nan 8.250 nan 0.000 0.431 1361 F N 4.744 124.690 119.950 -0.007 0.000 2.350 1361 F HA 0.383 4.910 4.527 -0.000 0.000 0.365 1361 F C -1.050 174.698 175.800 -0.087 0.000 1.122 1361 F CA -0.797 57.181 58.000 -0.035 0.000 1.139 1361 F CB 0.638 39.644 39.000 0.011 0.000 1.220 1361 F HN 0.520 nan 8.300 nan 0.000 0.499 1362 D N 8.331 128.439 120.400 -0.486 0.000 2.319 1362 D HA 0.322 4.962 4.640 -0.000 0.000 0.237 1362 D C -2.334 173.539 176.300 -0.712 0.000 1.353 1362 D CA -1.930 51.682 54.000 -0.648 0.000 0.992 1362 D CB 1.988 42.596 40.800 -0.321 0.000 1.368 1362 D HN 0.174 nan 8.370 nan 0.000 0.564 1363 P HA -0.142 nan 4.420 nan 0.000 0.217 1363 P C 0.811 177.464 177.300 -1.080 0.000 1.148 1363 P CA 1.091 63.626 63.100 -0.941 0.000 0.828 1363 P CB 0.350 31.217 31.700 -1.387 0.000 0.783 1364 E N -0.706 118.782 120.200 -1.187 0.000 2.265 1364 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 1364 E C 1.813 178.016 176.600 -0.661 0.000 0.996 1364 E CA 0.607 56.207 56.400 -1.333 0.000 0.832 1364 E CB -0.577 28.759 29.700 -0.607 0.000 0.756 1364 E HN 0.332 nan 8.360 nan 0.000 0.491 1365 L N 0.388 121.348 121.223 -0.439 0.000 2.265 1365 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 1365 L C 2.020 178.787 176.870 -0.171 0.000 1.117 1365 L CA 0.837 55.539 54.840 -0.228 0.000 0.782 1365 L CB -0.150 41.802 42.059 -0.178 0.000 0.914 1365 L HN 0.187 nan 8.230 nan 0.000 0.441 1366 L N -2.165 118.933 121.223 -0.208 0.000 2.640 1366 L HA 0.075 4.415 4.340 -0.000 0.000 0.230 1366 L C 1.863 178.868 176.870 0.225 0.000 1.123 1366 L CA -0.066 54.737 54.840 -0.062 0.000 0.900 1366 L CB -0.122 41.800 42.059 -0.229 0.000 1.146 1366 L HN 0.190 nan 8.230 nan 0.000 0.484 1367 F N 0.463 120.438 119.950 0.042 0.000 2.408 1367 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 1367 F C 2.042 177.888 175.800 0.076 0.000 1.090 1367 F CA 0.453 58.508 58.000 0.090 0.000 1.427 1367 F CB 0.048 39.099 39.000 0.085 0.000 1.070 1367 F HN 0.216 nan 8.300 nan 0.000 0.549 1368 G N -0.343 108.593 108.800 0.227 0.000 3.233 1368 G HA2 0.458 4.418 3.960 -0.000 0.000 0.234 1368 G HA3 0.458 4.418 3.960 -0.000 0.000 0.234 1368 G C 0.122 175.085 174.900 0.105 0.000 1.137 1368 G CA 0.331 45.516 45.100 0.141 0.000 0.763 1368 G HN 0.244 nan 8.290 nan 0.000 0.549 1369 A N -0.329 122.562 122.820 0.118 0.000 2.346 1369 A HA 0.761 5.081 4.320 -0.000 0.000 0.313 1369 A C -0.388 177.269 177.584 0.123 0.000 1.140 1369 A CA -0.674 51.419 52.037 0.093 0.000 0.826 1369 A CB 1.022 20.060 19.000 0.064 0.000 1.332 1369 A HN 0.202 nan 8.150 nan 0.000 0.457 1370 Q N 0.032 119.894 119.800 0.103 0.000 2.314 1370 Q HA 0.531 4.871 4.340 -0.000 0.000 0.257 1370 Q C -1.717 174.376 176.000 0.156 0.000 0.975 1370 Q CA 0.399 56.261 55.803 0.098 0.000 0.933 1370 Q CB 1.019 29.788 28.738 0.052 0.000 1.195 1370 Q HN 0.500 nan 8.270 nan 0.000 0.426 1371 F N 1.420 121.307 119.950 -0.105 0.000 2.635 1371 F HA 0.192 4.719 4.527 -0.000 0.000 0.314 1371 F C -1.452 174.139 175.800 -0.348 0.000 1.119 1371 F CA -0.828 57.036 58.000 -0.226 0.000 1.000 1371 F CB 1.766 40.593 39.000 -0.289 0.000 1.278 1371 F HN 0.285 nan 8.300 nan 0.000 0.446 1372 Q N 5.256 124.569 119.800 -0.810 0.000 2.303 1372 Q HA 0.199 4.539 4.340 -0.000 0.000 0.257 1372 Q C -1.229 174.342 176.000 -0.716 0.000 0.941 1372 Q CA -0.260 55.204 55.803 -0.564 0.000 0.931 1372 Q CB 1.141 29.659 28.738 -0.368 0.000 1.215 1372 Q HN 0.697 nan 8.270 nan 0.000 0.437 1373 Y N 2.902 123.146 120.300 -0.094 0.000 2.724 1373 Y HA 0.160 4.710 4.550 -0.000 0.000 0.354 1373 Y C 0.378 176.250 175.900 -0.047 0.000 1.270 1373 Y CA -0.097 58.008 58.100 0.007 0.000 1.902 1373 Y CB 0.305 38.809 38.460 0.073 0.000 1.981 1373 Y HN 0.116 nan 8.280 nan 0.000 0.428 1374 R N 1.313 121.785 120.500 -0.047 0.000 2.680 1374 R HA 0.376 4.716 4.340 -0.000 0.000 0.269 1374 R C -1.471 174.784 176.300 -0.075 0.000 1.026 1374 R CA -1.025 55.052 56.100 -0.039 0.000 0.889 1374 R CB 2.101 32.368 30.300 -0.055 0.000 1.241 1374 R HN 0.435 nan 8.270 nan 0.000 0.463 1375 N N 0.861 119.531 118.700 -0.050 0.000 2.308 1375 N HA 0.413 5.153 4.740 -0.000 0.000 0.283 1375 N C -1.565 173.911 175.510 -0.057 0.000 1.105 1375 N CA -0.514 52.508 53.050 -0.046 0.000 0.840 1375 N CB 2.657 41.135 38.487 -0.014 0.000 1.633 1375 N HN 0.319 nan 8.380 nan 0.000 0.476 1376 R N 3.294 123.764 120.500 -0.050 0.000 2.514 1376 R HA 0.435 4.775 4.340 -0.000 0.000 0.296 1376 R C -0.765 175.628 176.300 0.155 0.000 1.012 1376 R CA -0.545 55.490 56.100 -0.108 0.000 0.897 1376 R CB 0.567 30.729 30.300 -0.230 0.000 1.184 1376 R HN 0.466 nan 8.270 nan 0.000 0.440 1377 I N 3.730 124.601 120.570 0.501 0.000 2.598 1377 I HA 0.208 4.378 4.170 -0.000 0.000 0.284 1377 I C 0.600 176.963 176.117 0.410 0.000 1.140 1377 I CA 0.039 61.612 61.300 0.455 0.000 1.420 1377 I CB 0.475 38.782 38.000 0.512 0.000 1.387 1377 I HN 0.714 nan 8.210 nan 0.000 0.553 1378 A N 7.335 130.291 122.820 0.226 0.000 2.327 1378 A HA 0.435 4.755 4.320 -0.000 0.000 0.283 1378 A C 1.261 178.776 177.584 -0.114 0.000 1.127 1378 A CA -0.680 51.405 52.037 0.079 0.000 0.810 1378 A CB 0.751 19.779 19.000 0.047 0.000 1.066 1378 A HN 0.847 nan 8.150 nan 0.000 0.492 1379 M N 0.477 119.979 119.600 -0.165 0.000 2.213 1379 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 1379 M C 0.930 177.032 176.300 -0.330 0.000 1.062 1379 M CA 2.235 57.313 55.300 -0.370 0.000 1.105 1379 M CB -0.755 31.723 32.600 -0.203 0.000 1.385 1379 M HN 0.723 nan 8.290 nan 0.000 0.417 1380 E N 0.855 120.891 120.200 -0.274 0.000 2.150 1380 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 1380 E C 1.700 178.192 176.600 -0.179 0.000 0.985 1380 E CA 1.182 57.377 56.400 -0.342 0.000 0.814 1380 E CB -0.410 29.025 29.700 -0.441 0.000 0.752 1380 E HN 0.527 nan 8.360 nan 0.000 0.466 1381 F N 2.106 121.637 119.950 -0.698 0.000 2.146 1381 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 1381 F C 1.902 177.527 175.800 -0.292 0.000 1.096 1381 F CA 1.186 58.790 58.000 -0.660 0.000 1.275 1381 F CB -0.466 38.029 39.000 -0.842 0.000 1.008 1381 F HN 0.018 nan 8.300 nan 0.000 0.480 1382 N N 0.518 118.871 118.700 -0.579 0.000 2.043 1382 N HA -0.218 4.522 4.740 -0.000 0.000 0.193 1382 N C 1.820 176.980 175.510 -0.583 0.000 1.037 1382 N CA 1.837 54.110 53.050 -1.294 0.000 0.851 1382 N CB -0.373 37.475 38.487 -1.064 0.000 1.027 1382 N HN 0.449 nan 8.380 nan 0.000 0.422 1383 Q N 0.742 120.381 119.800 -0.267 0.000 2.030 1383 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 1383 Q C 2.346 178.436 176.000 0.149 0.000 0.986 1383 Q CA 1.181 56.925 55.803 -0.099 0.000 0.843 1383 Q CB -0.505 28.263 28.738 0.050 0.000 0.904 1383 Q HN 0.482 nan 8.270 nan 0.000 0.420 1384 L N -0.472 120.897 121.223 0.244 0.000 2.127 1384 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 1384 L C 1.712 178.717 176.870 0.225 0.000 1.089 1384 L CA 1.345 56.346 54.840 0.267 0.000 0.757 1384 L CB -0.213 42.022 42.059 0.294 0.000 0.899 1384 L HN 0.192 nan 8.230 nan 0.000 0.434 1385 Y N -1.000 119.217 120.300 -0.139 0.000 2.462 1385 Y HA -0.009 4.541 4.550 -0.000 0.000 0.293 1385 Y C 0.199 175.810 175.900 -0.481 0.000 1.195 1385 Y CA -0.497 57.262 58.100 -0.568 0.000 1.276 1385 Y CB 0.009 38.096 38.460 -0.622 0.000 1.082 1385 Y HN 0.250 nan 8.280 nan 0.000 0.514 1386 H N -0.479 118.632 119.070 0.069 0.000 3.092 1386 H HA -0.015 4.541 4.556 -0.000 0.000 0.263 1386 H C -0.583 175.063 175.328 0.530 0.000 1.611 1386 H CA -0.275 55.904 56.048 0.218 0.000 1.457 1386 H CB -0.540 29.326 29.762 0.174 0.000 1.731 1386 H HN 0.267 nan 8.280 nan 0.000 0.532 1387 W N 1.779 123.177 121.300 0.163 0.000 3.040 1387 W HA 0.107 4.767 4.660 -0.000 0.000 0.444 1387 W C 0.457 177.009 176.519 0.054 0.000 0.793 1387 W CA -0.771 56.674 57.345 0.168 0.000 2.104 1387 W CB -1.133 28.457 29.460 0.217 0.000 1.060 1387 W HN 0.737 nan 8.180 nan 0.000 0.842 1388 H N 0.379 119.684 119.070 0.392 0.000 2.457 1388 H HA -0.130 4.426 4.556 -0.000 0.000 0.297 1388 H C -0.580 174.879 175.328 0.219 0.000 1.092 1388 H CA 1.615 57.825 56.048 0.271 0.000 1.309 1388 H CB -1.385 28.513 29.762 0.226 0.000 1.382 1388 H HN 0.056 nan 8.280 nan 0.000 0.535 1389 P HA -0.118 nan 4.420 nan 0.000 0.225 1389 P C 1.039 178.420 177.300 0.135 0.000 1.148 1389 P CA 0.956 64.154 63.100 0.163 0.000 0.779 1389 P CB 0.012 31.759 31.700 0.077 0.000 0.780 1390 L N -2.497 118.814 121.223 0.147 0.000 2.131 1390 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 1390 L C 1.306 178.245 176.870 0.115 0.000 1.092 1390 L CA 0.668 55.576 54.840 0.113 0.000 0.759 1390 L CB -0.635 41.512 42.059 0.147 0.000 0.903 1390 L HN 0.074 nan 8.230 nan 0.000 0.435 1391 M N 1.238 120.925 119.600 0.145 0.000 2.239 1391 M HA 0.146 4.626 4.480 -0.000 0.000 0.348 1391 M C -1.901 174.464 176.300 0.109 0.000 1.239 1391 M CA -1.762 53.614 55.300 0.126 0.000 1.114 1391 M CB 0.041 32.820 32.600 0.298 0.000 1.641 1391 M HN -0.159 nan 8.290 nan 0.000 0.453 1392 P HA 0.163 nan 4.420 nan 0.000 0.289 1392 P C -0.187 176.957 177.300 -0.260 0.000 1.299 1392 P CA -0.164 62.709 63.100 -0.380 0.000 0.766 1392 P CB 0.906 32.184 31.700 -0.704 0.000 1.226 1393 D N -1.487 118.713 120.400 -0.333 0.000 2.194 1393 D HA -0.002 4.638 4.640 -0.000 0.000 0.204 1393 D C 0.829 177.077 176.300 -0.087 0.000 0.964 1393 D CA 1.313 55.276 54.000 -0.060 0.000 0.846 1393 D CB 0.006 40.755 40.800 -0.085 0.000 0.962 1393 D HN 0.488 nan 8.370 nan 0.000 0.490 1394 S N -1.269 114.159 115.700 -0.452 0.000 2.643 1394 S HA 0.585 5.055 4.470 -0.000 0.000 0.270 1394 S C -1.327 172.766 174.600 -0.845 0.000 1.166 1394 S CA -1.019 56.889 58.200 -0.488 0.000 0.815 1394 S CB 0.931 64.039 63.200 -0.154 0.000 1.139 1394 S HN -0.102 nan 8.310 nan 0.000 0.472 1395 F N 1.011 120.786 119.950 -0.292 0.000 2.375 1395 F HA 0.576 5.103 4.527 -0.000 0.000 0.361 1395 F C 0.653 176.406 175.800 -0.077 0.000 1.117 1395 F CA -0.646 57.188 58.000 -0.276 0.000 1.037 1395 F CB 1.372 39.969 39.000 -0.671 0.000 1.192 1395 F HN 0.565 nan 8.300 nan 0.000 0.452 1396 R N 2.594 123.110 120.500 0.026 0.000 2.234 1396 R HA 0.626 4.965 4.340 -0.000 0.000 0.324 1396 R C -1.444 174.873 176.300 0.029 0.000 1.054 1396 R CA -0.239 55.863 56.100 0.003 0.000 0.912 1396 R CB 0.772 31.041 30.300 -0.052 0.000 1.030 1396 R HN 0.528 nan 8.270 nan 0.000 0.455 1397 V N 6.024 125.936 119.914 -0.002 0.000 2.340 1397 V HA 0.408 4.528 4.120 -0.000 0.000 0.277 1397 V C 0.866 176.924 176.094 -0.060 0.000 1.017 1397 V CA 0.189 62.428 62.300 -0.102 0.000 0.820 1397 V CB 0.558 32.231 31.823 -0.250 0.000 1.028 1397 V HN 1.174 nan 8.190 nan 0.000 0.436 1398 G N 7.200 115.975 108.800 -0.041 0.000 2.550 1398 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.277 1398 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.277 1398 G C -0.875 174.018 174.900 -0.013 0.000 1.190 1398 G CA 0.332 45.431 45.100 -0.001 0.000 0.971 1398 G HN 0.559 nan 8.290 nan 0.000 0.559 1399 P HA 0.096 nan 4.420 nan 0.000 0.236 1399 P C 0.514 177.778 177.300 -0.060 0.000 1.177 1399 P CA 0.894 63.981 63.100 -0.022 0.000 0.773 1399 P CB 0.207 31.905 31.700 -0.004 0.000 0.878 1400 Q N 1.147 120.897 119.800 -0.083 0.000 2.259 1400 Q HA 0.227 4.567 4.340 -0.000 0.000 0.249 1400 Q C -0.698 175.102 176.000 -0.333 0.000 0.914 1400 Q CA 0.280 55.939 55.803 -0.241 0.000 0.904 1400 Q CB 1.022 29.566 28.738 -0.323 0.000 1.213 1400 Q HN 0.037 nan 8.270 nan 0.000 0.428 1401 D N 1.627 121.801 120.400 -0.376 0.000 2.408 1401 D HA 0.283 4.923 4.640 -0.000 0.000 0.243 1401 D C -1.508 174.601 176.300 -0.318 0.000 1.075 1401 D CA -0.318 53.528 54.000 -0.256 0.000 0.832 1401 D CB 0.471 41.190 40.800 -0.135 0.000 1.162 1401 D HN 0.215 nan 8.370 nan 0.000 0.515 1402 Y N 1.803 122.146 120.300 0.071 0.000 2.341 1402 Y HA 0.323 4.873 4.550 -0.000 0.000 0.337 1402 Y C 0.999 176.984 175.900 0.141 0.000 1.014 1402 Y CA -0.877 57.299 58.100 0.127 0.000 1.111 1402 Y CB 1.618 40.187 38.460 0.181 0.000 1.194 1402 Y HN 0.353 nan 8.280 nan 0.000 0.462 1403 S N 1.313 117.202 115.700 0.315 0.000 2.655 1403 S HA 0.142 4.611 4.470 -0.000 0.000 0.265 1403 S C 0.724 175.495 174.600 0.286 0.000 1.240 1403 S CA -0.420 57.937 58.200 0.262 0.000 0.986 1403 S CB 0.392 63.740 63.200 0.246 0.000 0.985 1403 S HN 0.658 nan 8.310 nan 0.000 0.562 1404 Y N 1.437 121.809 120.300 0.121 0.000 2.224 1404 Y HA -0.114 4.436 4.550 -0.000 0.000 0.289 1404 Y C 2.708 178.669 175.900 0.100 0.000 1.146 1404 Y CA 1.927 60.062 58.100 0.058 0.000 1.182 1404 Y CB -0.202 37.931 38.460 -0.546 0.000 0.983 1404 Y HN 0.727 nan 8.280 nan 0.000 0.524 1405 E N -0.040 120.311 120.200 0.252 0.000 2.274 1405 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 1405 E C 1.338 178.059 176.600 0.201 0.000 0.996 1405 E CA 1.009 57.544 56.400 0.224 0.000 0.840 1405 E CB -0.476 29.353 29.700 0.215 0.000 0.772 1405 E HN 0.626 nan 8.360 nan 0.000 0.491 1406 Q N -1.039 118.899 119.800 0.230 0.000 2.408 1406 Q HA 0.131 4.471 4.340 -0.000 0.000 0.205 1406 Q C 1.093 177.182 176.000 0.149 0.000 0.919 1406 Q CA 0.154 56.084 55.803 0.211 0.000 0.932 1406 Q CB 0.155 29.098 28.738 0.341 0.000 1.058 1406 Q HN 0.165 nan 8.270 nan 0.000 0.517 1407 F N 0.393 120.309 119.950 -0.056 0.000 2.390 1407 F HA 0.152 4.679 4.527 -0.000 0.000 0.281 1407 F C 0.249 175.918 175.800 -0.218 0.000 1.016 1407 F CA -0.281 57.570 58.000 -0.250 0.000 1.286 1407 F CB 0.270 38.943 39.000 -0.544 0.000 1.134 1407 F HN -0.110 nan 8.300 nan 0.000 0.597 1408 L N 1.680 122.875 121.223 -0.047 0.000 2.540 1408 L HA -0.018 4.321 4.340 -0.000 0.000 0.276 1408 L C 0.079 176.940 176.870 -0.016 0.000 1.212 1408 L CA 0.858 55.626 54.840 -0.119 0.000 0.893 1408 L CB -1.090 41.016 42.059 0.079 0.000 1.138 1408 L HN 0.363 nan 8.230 nan 0.000 0.491 1409 F N 0.429 120.315 119.950 -0.108 0.000 3.069 1409 F HA -0.313 4.214 4.527 -0.000 0.000 0.285 1409 F C 1.067 176.842 175.800 -0.043 0.000 0.827 1409 F CA 0.402 58.382 58.000 -0.033 0.000 1.108 1409 F CB -0.846 38.179 39.000 0.042 0.000 1.252 1409 F HN 0.715 nan 8.300 nan 0.000 0.483 1410 N N 1.361 120.043 118.700 -0.029 0.000 2.401 1410 N HA 0.088 4.828 4.740 -0.000 0.000 0.255 1410 N C 1.015 176.487 175.510 -0.063 0.000 1.110 1410 N CA 0.928 53.942 53.050 -0.061 0.000 0.949 1410 N CB 1.089 39.470 38.487 -0.177 0.000 1.110 1410 N HN 0.256 nan 8.380 nan 0.000 0.490 1411 T N -0.600 113.950 114.554 -0.006 0.000 3.144 1411 T HA 0.025 4.375 4.350 -0.000 0.000 0.249 1411 T C 1.276 175.926 174.700 -0.082 0.000 1.089 1411 T CA 0.411 62.498 62.100 -0.022 0.000 0.989 1411 T CB -0.158 68.692 68.868 -0.030 0.000 0.992 1411 T HN 0.414 nan 8.240 nan 0.000 0.540 1412 S N -0.382 115.262 115.700 -0.092 0.000 2.589 1412 S HA 0.268 4.738 4.470 -0.000 0.000 0.235 1412 S C 1.753 176.291 174.600 -0.103 0.000 1.051 1412 S CA -0.248 57.889 58.200 -0.106 0.000 0.978 1412 S CB -0.299 62.851 63.200 -0.082 0.000 0.929 1412 S HN 0.310 nan 8.310 nan 0.000 0.523 1413 M N 1.174 120.714 119.600 -0.099 0.000 2.108 1413 M HA -0.039 4.441 4.480 -0.000 0.000 0.261 1413 M C 2.034 178.346 176.300 0.020 0.000 1.066 1413 M CA 1.714 56.993 55.300 -0.036 0.000 1.107 1413 M CB -0.307 32.212 32.600 -0.135 0.000 1.356 1413 M HN 0.469 nan 8.290 nan 0.000 0.406 1414 L N 0.111 121.290 121.223 -0.074 0.000 2.012 1414 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 1414 L C 2.042 178.869 176.870 -0.072 0.000 1.073 1414 L CA 1.763 56.572 54.840 -0.053 0.000 0.748 1414 L CB -0.833 41.172 42.059 -0.090 0.000 0.891 1414 L HN 0.188 nan 8.230 nan 0.000 0.431 1415 V N -0.102 119.670 119.914 -0.237 0.000 2.548 1415 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 1415 V C 2.258 178.275 176.094 -0.128 0.000 1.055 1415 V CA 1.622 63.719 62.300 -0.337 0.000 1.065 1415 V CB -0.852 30.697 31.823 -0.456 0.000 0.681 1415 V HN 0.446 nan 8.190 nan 0.000 0.462 1416 D N -0.476 119.859 120.400 -0.109 0.000 2.097 1416 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 1416 D C 2.020 178.197 176.300 -0.204 0.000 0.989 1416 D CA 1.823 55.723 54.000 -0.166 0.000 0.827 1416 D CB -0.209 40.458 40.800 -0.221 0.000 0.966 1416 D HN 0.558 nan 8.370 nan 0.000 0.456 1417 Y N 0.153 120.432 120.300 -0.036 0.000 2.397 1417 Y HA 0.270 4.820 4.550 -0.000 0.000 0.292 1417 Y C 1.607 177.506 175.900 -0.002 0.000 1.115 1417 Y CA 0.664 58.752 58.100 -0.020 0.000 1.208 1417 Y CB 0.274 38.710 38.460 -0.040 0.000 1.046 1417 Y HN 0.023 nan 8.280 nan 0.000 0.552 1418 G N -0.346 108.559 108.800 0.174 0.000 2.730 1418 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 1418 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 1418 G C 0.466 175.432 174.900 0.110 0.000 1.343 1418 G CA -0.477 44.731 45.100 0.180 0.000 0.826 1418 G HN 0.010 nan 8.290 nan 0.000 0.582 1419 V N 1.005 120.962 119.914 0.072 0.000 2.255 1419 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 1419 V C 2.749 178.810 176.094 -0.056 0.000 1.051 1419 V CA 3.226 65.514 62.300 -0.019 0.000 1.018 1419 V CB -0.901 30.875 31.823 -0.079 0.000 0.641 1419 V HN 0.855 nan 8.190 nan 0.000 0.445 1420 E N 0.814 120.988 120.200 -0.043 0.000 2.070 1420 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 1420 E C 2.250 178.824 176.600 -0.042 0.000 1.004 1420 E CA 1.649 58.022 56.400 -0.044 0.000 0.805 1420 E CB -0.682 29.002 29.700 -0.027 0.000 0.744 1420 E HN 0.590 nan 8.360 nan 0.000 0.451 1421 A N 0.784 123.595 122.820 -0.015 0.000 1.908 1421 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 1421 A C 2.230 179.717 177.584 -0.162 0.000 1.181 1421 A CA 1.277 53.303 52.037 -0.018 0.000 0.627 1421 A CB -0.676 18.393 19.000 0.115 0.000 0.818 1421 A HN 0.183 nan 8.150 nan 0.000 0.445 1422 L N -0.663 120.421 121.223 -0.231 0.000 2.056 1422 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 1422 L C 2.542 179.097 176.870 -0.526 0.000 1.078 1422 L CA 0.945 55.450 54.840 -0.559 0.000 0.749 1422 L CB -0.600 41.190 42.059 -0.447 0.000 0.901 1422 L HN 0.248 nan 8.230 nan 0.000 0.433 1423 V N 0.189 119.982 119.914 -0.202 0.000 2.332 1423 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 1423 V C 2.138 178.230 176.094 -0.003 0.000 1.055 1423 V CA 2.270 64.538 62.300 -0.053 0.000 1.038 1423 V CB -0.477 31.303 31.823 -0.070 0.000 0.651 1423 V HN 0.478 nan 8.190 nan 0.000 0.450 1424 D N -0.134 120.248 120.400 -0.031 0.000 2.104 1424 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 1424 D C 2.132 178.464 176.300 0.055 0.000 0.994 1424 D CA 1.529 55.561 54.000 0.053 0.000 0.830 1424 D CB -0.163 40.657 40.800 0.032 0.000 0.959 1424 D HN 0.391 nan 8.370 nan 0.000 0.452 1425 A N -0.408 122.357 122.820 -0.092 0.000 1.877 1425 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 1425 A C 1.907 179.549 177.584 0.097 0.000 1.186 1425 A CA 1.042 53.025 52.037 -0.089 0.000 0.620 1425 A CB -0.978 17.854 19.000 -0.281 0.000 0.822 1425 A HN 0.299 nan 8.150 nan 0.000 0.443 1426 F N 0.795 120.841 119.950 0.160 0.000 2.234 1426 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 1426 F C 2.640 178.581 175.800 0.234 0.000 1.087 1426 F CA 0.917 59.062 58.000 0.241 0.000 1.340 1426 F CB -0.988 38.228 39.000 0.360 0.000 1.031 1426 F HN 0.125 nan 8.300 nan 0.000 0.500 1427 S N -0.524 115.412 115.700 0.394 0.000 2.453 1427 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 1427 S C 1.992 176.838 174.600 0.411 0.000 1.005 1427 S CA 0.579 59.010 58.200 0.385 0.000 0.949 1427 S CB -0.080 63.303 63.200 0.304 0.000 0.774 1427 S HN 0.356 nan 8.310 nan 0.000 0.510 1428 R N 0.622 121.294 120.500 0.287 0.000 2.189 1428 R HA 0.180 4.520 4.340 -0.000 0.000 0.203 1428 R C 1.062 177.427 176.300 0.108 0.000 1.012 1428 R CA 0.162 56.350 56.100 0.148 0.000 1.015 1428 R CB 0.138 30.471 30.300 0.055 0.000 0.938 1428 R HN 0.339 nan 8.270 nan 0.000 0.472 1429 Q N 2.579 122.462 119.800 0.138 0.000 2.288 1429 Q HA 0.172 4.512 4.340 -0.000 0.000 0.258 1429 Q C -2.270 173.770 176.000 0.066 0.000 0.957 1429 Q CA -2.352 53.496 55.803 0.074 0.000 0.919 1429 Q CB 1.120 29.899 28.738 0.069 0.000 1.185 1429 Q HN -0.074 nan 8.270 nan 0.000 0.408 1430 P HA 0.060 nan 4.420 nan 0.000 0.271 1430 P C -1.311 176.055 177.300 0.110 0.000 1.218 1430 P CA -0.009 63.130 63.100 0.064 0.000 0.780 1430 P CB 1.073 32.830 31.700 0.095 0.000 0.901 1431 A N 2.701 125.579 122.820 0.097 0.000 2.256 1431 A HA 0.696 5.016 4.320 -0.000 0.000 0.318 1431 A C 0.597 178.290 177.584 0.181 0.000 1.103 1431 A CA -0.366 51.742 52.037 0.118 0.000 0.860 1431 A CB 0.250 19.269 19.000 0.032 0.000 1.182 1431 A HN 0.570 nan 8.150 nan 0.000 0.501 1432 G N -0.420 108.489 108.800 0.182 0.000 2.507 1432 G HA2 0.472 4.432 3.960 -0.000 0.000 0.271 1432 G HA3 0.472 4.432 3.960 -0.000 0.000 0.271 1432 G C 0.156 174.935 174.900 -0.201 0.000 1.189 1432 G CA -0.614 44.422 45.100 -0.107 0.000 0.859 1432 G HN 0.891 nan 8.290 nan 0.000 0.542 1433 R N 1.119 121.434 120.500 -0.309 0.000 2.537 1433 R HA 0.174 4.514 4.340 -0.000 0.000 0.280 1433 R C 0.964 177.137 176.300 -0.213 0.000 1.058 1433 R CA -0.332 55.601 56.100 -0.277 0.000 1.057 1433 R CB 0.322 30.462 30.300 -0.267 0.000 0.973 1433 R HN 0.530 nan 8.270 nan 0.000 0.438 1434 I N 2.408 122.834 120.570 -0.241 0.000 2.296 1434 I HA 0.028 4.198 4.170 -0.000 0.000 0.242 1434 I C 1.497 177.552 176.117 -0.103 0.000 1.087 1434 I CA 0.945 62.145 61.300 -0.167 0.000 1.393 1434 I CB -0.329 37.508 38.000 -0.273 0.000 1.093 1434 I HN 0.724 nan 8.210 nan 0.000 0.421 1435 G N -1.000 107.749 108.800 -0.085 0.000 2.557 1435 G HA2 0.430 4.390 3.960 -0.000 0.000 0.292 1435 G HA3 0.430 4.390 3.960 -0.000 0.000 0.292 1435 G C 0.823 175.659 174.900 -0.107 0.000 1.237 1435 G CA 0.234 45.286 45.100 -0.081 0.000 0.978 1435 G HN 0.499 nan 8.290 nan 0.000 0.498 1436 G N -1.995 106.737 108.800 -0.113 0.000 2.284 1436 G HA2 0.342 4.302 3.960 -0.000 0.000 0.230 1436 G HA3 0.342 4.302 3.960 -0.000 0.000 0.230 1436 G C 1.295 176.141 174.900 -0.089 0.000 1.021 1436 G CA 0.829 45.868 45.100 -0.101 0.000 0.619 1436 G HN 2.860 nan 8.290 nan 0.000 0.510 1437 G N -0.610 108.137 108.800 -0.089 0.000 2.707 1437 G HA2 0.316 4.276 3.960 -0.000 0.000 0.686 1437 G HA3 0.316 4.276 3.960 -0.000 0.000 0.686 1437 G C 0.222 175.098 174.900 -0.040 0.000 1.315 1437 G CA 0.389 45.455 45.100 -0.056 0.000 0.832 1437 G HN 1.678 nan 8.290 nan 0.000 0.573 1438 R N -1.042 119.449 120.500 -0.016 0.000 3.251 1438 R HA -0.222 4.118 4.340 -0.000 0.000 0.249 1438 R C 0.439 176.724 176.300 -0.024 0.000 0.949 1438 R CA 1.102 57.189 56.100 -0.022 0.000 0.645 1438 R CB -1.235 29.045 30.300 -0.034 0.000 1.065 1438 R HN 0.769 nan 8.270 nan 0.000 0.452 1439 N N 0.181 118.874 118.700 -0.012 0.000 2.390 1439 N HA 0.258 4.998 4.740 -0.000 0.000 0.259 1439 N C -0.947 174.596 175.510 0.054 0.000 1.395 1439 N CA -0.200 52.845 53.050 -0.008 0.000 0.852 1439 N CB 0.837 39.278 38.487 -0.076 0.000 1.371 1439 N HN 0.263 nan 8.380 nan 0.000 0.491 1440 I N 0.836 121.449 120.570 0.073 0.000 2.330 1440 I HA 0.198 4.368 4.170 -0.000 0.000 0.289 1440 I C 0.038 176.214 176.117 0.099 0.000 1.001 1440 I CA -0.933 60.435 61.300 0.114 0.000 1.193 1440 I CB 1.197 39.266 38.000 0.115 0.000 1.345 1440 I HN 0.127 nan 8.210 nan 0.000 0.461 1441 D N 4.196 124.663 120.400 0.113 0.000 2.506 1441 D HA -0.125 4.515 4.640 -0.000 0.000 0.234 1441 D C 1.539 177.806 176.300 -0.055 0.000 1.143 1441 D CA 0.401 54.425 54.000 0.039 0.000 0.871 1441 D CB 0.717 41.528 40.800 0.019 0.000 1.190 1441 D HN 0.631 nan 8.370 nan 0.000 0.459 1442 H N 2.085 121.124 119.070 -0.052 0.000 2.457 1442 H HA -0.167 4.389 4.556 -0.000 0.000 0.297 1442 H C 1.272 176.518 175.328 -0.137 0.000 1.092 1442 H CA 1.647 57.630 56.048 -0.108 0.000 1.309 1442 H CB -0.234 29.428 29.762 -0.166 0.000 1.382 1442 H HN 0.541 nan 8.280 nan 0.000 0.535 1443 H N 0.704 119.360 119.070 -0.690 0.000 2.456 1443 H HA -0.029 4.527 4.556 -0.000 0.000 0.296 1443 H C 1.648 176.931 175.328 -0.074 0.000 1.079 1443 H CA 1.728 57.503 56.048 -0.455 0.000 1.322 1443 H CB 0.290 29.470 29.762 -0.971 0.000 1.388 1443 H HN 0.704 nan 8.280 nan 0.000 0.538 1444 I N -2.252 118.341 120.570 0.038 0.000 4.050 1444 I HA 0.073 4.243 4.170 -0.000 0.000 0.327 1444 I C 1.554 177.597 176.117 -0.123 0.000 1.473 1444 I CA -0.094 61.225 61.300 0.032 0.000 1.124 1444 I CB 0.111 38.173 38.000 0.104 0.000 1.129 1444 I HN -0.102 nan 8.210 nan 0.000 0.428 1445 L N 2.846 124.071 121.223 0.004 0.000 2.127 1445 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 1445 L C 2.831 179.676 176.870 -0.042 0.000 1.089 1445 L CA 2.180 57.017 54.840 -0.005 0.000 0.757 1445 L CB -0.903 41.187 42.059 0.051 0.000 0.899 1445 L HN 0.543 nan 8.230 nan 0.000 0.434 1446 H N -2.384 116.682 119.070 -0.005 0.000 2.489 1446 H HA -0.078 4.478 4.556 -0.000 0.000 0.295 1446 H C 1.908 177.215 175.328 -0.034 0.000 1.082 1446 H CA 1.609 57.654 56.048 -0.005 0.000 1.295 1446 H CB -0.972 28.798 29.762 0.013 0.000 1.380 1446 H HN 0.326 nan 8.280 nan 0.000 0.548 1447 V N 1.751 121.261 119.914 -0.673 0.000 2.358 1447 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 1447 V C 3.217 179.127 176.094 -0.308 0.000 1.047 1447 V CA 1.534 63.530 62.300 -0.508 0.000 1.035 1447 V CB -1.084 30.306 31.823 -0.721 0.000 0.658 1447 V HN 0.641 nan 8.190 nan 0.000 0.452 1448 A N -0.002 122.677 122.820 -0.236 0.000 1.902 1448 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 1448 A C 2.402 179.965 177.584 -0.035 0.000 1.181 1448 A CA 2.071 54.071 52.037 -0.061 0.000 0.623 1448 A CB -0.727 18.340 19.000 0.112 0.000 0.818 1448 A HN 0.330 nan 8.150 nan 0.000 0.443 1449 V N 0.749 120.653 119.914 -0.016 0.000 2.332 1449 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 1449 V C 2.083 178.172 176.094 -0.009 0.000 1.055 1449 V CA 2.372 64.684 62.300 0.020 0.000 1.038 1449 V CB -0.767 31.085 31.823 0.048 0.000 0.651 1449 V HN 0.515 nan 8.190 nan 0.000 0.450 1450 D N -0.324 120.051 120.400 -0.041 0.000 2.224 1450 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 1450 D C 2.132 178.361 176.300 -0.119 0.000 0.965 1450 D CA 0.895 54.866 54.000 -0.048 0.000 0.852 1450 D CB -0.057 40.730 40.800 -0.021 0.000 0.947 1450 D HN 0.334 nan 8.370 nan 0.000 0.494 1451 V N 1.170 120.942 119.914 -0.236 0.000 2.358 1451 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 1451 V C 2.471 178.429 176.094 -0.226 0.000 1.047 1451 V CA 1.003 63.056 62.300 -0.411 0.000 1.035 1451 V CB -0.241 31.052 31.823 -0.884 0.000 0.658 1451 V HN 0.171 nan 8.190 nan 0.000 0.452 1452 I N -0.465 120.050 120.570 -0.092 0.000 2.252 1452 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 1452 I C 2.529 178.663 176.117 0.028 0.000 1.102 1452 I CA 1.572 62.893 61.300 0.034 0.000 1.385 1452 I CB -0.407 37.655 38.000 0.103 0.000 1.064 1452 I HN 0.237 nan 8.210 nan 0.000 0.414 1453 K N 0.835 121.241 120.400 0.009 0.000 2.057 1453 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 1453 K C 1.981 178.587 176.600 0.010 0.000 1.049 1453 K CA 1.931 58.230 56.287 0.019 0.000 0.931 1453 K CB -0.167 32.343 32.500 0.018 0.000 0.714 1453 K HN 0.443 nan 8.250 nan 0.000 0.440 1454 E N 0.570 120.756 120.200 -0.022 0.000 2.208 1454 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 1454 E C 1.870 178.462 176.600 -0.013 0.000 0.988 1454 E CA 1.473 57.860 56.400 -0.022 0.000 0.828 1454 E CB -0.190 29.477 29.700 -0.055 0.000 0.763 1454 E HN 0.030 nan 8.360 nan 0.000 0.478 1455 S N 0.267 115.959 115.700 -0.014 0.000 2.382 1455 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 1455 S C 1.976 176.610 174.600 0.057 0.000 1.027 1455 S CA 1.244 59.458 58.200 0.023 0.000 0.991 1455 S CB -0.172 63.071 63.200 0.072 0.000 0.823 1455 S HN 0.338 nan 8.310 nan 0.000 0.469 1456 R N -0.052 120.485 120.500 0.062 0.000 2.153 1456 R HA 0.088 4.428 4.340 -0.000 0.000 0.218 1456 R C 2.188 178.523 176.300 0.058 0.000 1.072 1456 R CA 1.124 57.267 56.100 0.072 0.000 0.990 1456 R CB -0.305 30.038 30.300 0.073 0.000 0.889 1456 R HN 0.307 nan 8.270 nan 0.000 0.452 1457 V N 0.804 120.745 119.914 0.046 0.000 2.379 1457 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 1457 V C 1.771 177.893 176.094 0.048 0.000 1.044 1457 V CA 1.272 63.600 62.300 0.046 0.000 1.036 1457 V CB -0.218 31.631 31.823 0.043 0.000 0.664 1457 V HN 0.184 nan 8.190 nan 0.000 0.453 1458 L N -0.167 121.080 121.223 0.039 0.000 2.465 1458 L HA 0.130 4.470 4.340 -0.000 0.000 0.224 1458 L C 1.268 178.165 176.870 0.045 0.000 1.145 1458 L CA 0.922 55.782 54.840 0.034 0.000 0.834 1458 L CB -1.210 40.854 42.059 0.009 0.000 0.944 1458 L HN 0.391 nan 8.230 nan 0.000 0.451 1459 R N -0.860 119.675 120.500 0.058 0.000 3.264 1459 R HA -0.203 4.137 4.340 -0.000 0.000 0.251 1459 R C -0.425 175.929 176.300 0.090 0.000 0.971 1459 R CA -0.103 56.042 56.100 0.075 0.000 0.658 1459 R CB -2.084 28.256 30.300 0.066 0.000 1.095 1459 R HN 0.044 nan 8.270 nan 0.000 0.443 1460 L N 1.511 122.793 121.223 0.099 0.000 2.453 1460 L HA 0.057 4.397 4.340 -0.000 0.000 0.272 1460 L C 1.414 178.400 176.870 0.194 0.000 1.182 1460 L CA 0.753 55.675 54.840 0.137 0.000 0.858 1460 L CB 0.663 42.773 42.059 0.084 0.000 1.120 1460 L HN 0.192 nan 8.230 nan 0.000 0.474 1461 Q N 4.870 124.791 119.800 0.202 0.000 2.492 1461 Q HA 0.163 4.503 4.340 -0.000 0.000 0.238 1461 Q C -1.990 174.131 176.000 0.202 0.000 1.045 1461 Q CA -1.477 54.361 55.803 0.059 0.000 0.934 1461 Q CB 0.149 28.695 28.738 -0.321 0.000 1.276 1461 Q HN 0.430 nan 8.270 nan 0.000 0.521 1462 P HA -0.124 nan 4.420 nan 0.000 0.269 1462 P C 0.063 177.560 177.300 0.328 0.000 1.215 1462 P CA 0.157 63.380 63.100 0.205 0.000 0.780 1462 P CB 0.411 32.186 31.700 0.124 0.000 0.898 1463 F N 2.894 122.979 119.950 0.225 0.000 2.115 1463 F HA -0.276 4.251 4.527 -0.000 0.000 0.300 1463 F C 1.813 177.740 175.800 0.212 0.000 1.092 1463 F CA 1.997 60.160 58.000 0.272 0.000 1.245 1463 F CB -0.865 38.190 39.000 0.091 0.000 0.995 1463 F HN 0.227 nan 8.300 nan 0.000 0.481 1464 N N 0.420 119.160 118.700 0.067 0.000 2.289 1464 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 1464 N C 1.731 177.151 175.510 -0.150 0.000 1.016 1464 N CA 1.190 54.185 53.050 -0.092 0.000 0.872 1464 N CB -0.351 38.122 38.487 -0.023 0.000 0.973 1464 N HN 0.390 nan 8.380 nan 0.000 0.433 1465 E N -0.263 119.841 120.200 -0.160 0.000 2.107 1465 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 1465 E C 1.628 178.035 176.600 -0.323 0.000 0.982 1465 E CA 0.680 56.886 56.400 -0.322 0.000 0.809 1465 E CB -0.358 29.002 29.700 -0.566 0.000 0.756 1465 E HN 0.492 nan 8.360 nan 0.000 0.459 1466 Y N 1.028 121.273 120.300 -0.092 0.000 2.314 1466 Y HA -0.071 4.479 4.550 -0.000 0.000 0.293 1466 Y C 2.433 178.346 175.900 0.022 0.000 1.129 1466 Y CA 0.877 59.009 58.100 0.053 0.000 1.201 1466 Y CB 0.042 38.676 38.460 0.291 0.000 0.999 1466 Y HN -0.061 nan 8.280 nan 0.000 0.541 1467 R N 0.587 121.032 120.500 -0.091 0.000 2.080 1467 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 1467 R C 2.029 178.275 176.300 -0.090 0.000 1.137 1467 R CA 1.518 57.512 56.100 -0.177 0.000 0.943 1467 R CB -0.511 29.578 30.300 -0.353 0.000 0.846 1467 R HN 0.373 nan 8.270 nan 0.000 0.431 1468 K N 0.126 120.438 120.400 -0.146 0.000 2.057 1468 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 1468 K C 2.140 178.639 176.600 -0.168 0.000 1.049 1468 K CA 1.133 57.323 56.287 -0.161 0.000 0.931 1468 K CB -0.192 32.180 32.500 -0.214 0.000 0.714 1468 K HN -0.098 nan 8.250 nan 0.000 0.440 1469 R N 0.629 120.997 120.500 -0.221 0.000 2.152 1469 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 1469 R C 0.785 176.786 176.300 -0.497 0.000 1.117 1469 R CA 1.349 57.228 56.100 -0.369 0.000 0.981 1469 R CB -0.220 29.793 30.300 -0.479 0.000 0.870 1469 R HN 0.074 nan 8.270 nan 0.000 0.451 1470 F N -0.674 119.241 119.950 -0.058 0.000 2.750 1470 F HA 0.353 4.880 4.527 -0.000 0.000 0.297 1470 F C 1.302 177.076 175.800 -0.043 0.000 1.138 1470 F CA 0.206 58.176 58.000 -0.049 0.000 1.346 1470 F CB 0.791 39.771 39.000 -0.033 0.000 0.965 1470 F HN 0.231 nan 8.300 nan 0.000 0.514 1471 G N 0.581 109.405 108.800 0.040 0.000 2.143 1471 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 1471 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 1471 G C 0.141 175.052 174.900 0.019 0.000 0.991 1471 G CA 0.033 45.157 45.100 0.039 0.000 0.689 1471 G HN 0.310 nan 8.290 nan 0.000 0.522 1472 M N -0.446 119.144 119.600 -0.017 0.000 2.644 1472 M HA 0.499 4.979 4.480 -0.000 0.000 0.316 1472 M C 0.471 176.698 176.300 -0.123 0.000 1.200 1472 M CA -0.767 54.490 55.300 -0.071 0.000 0.944 1472 M CB 1.671 34.207 32.600 -0.107 0.000 1.691 1472 M HN 0.006 nan 8.290 nan 0.000 0.471 1473 K N 2.424 122.733 120.400 -0.151 0.000 2.270 1473 K HA 0.339 4.658 4.320 -0.000 0.000 0.276 1473 K C -2.326 174.118 176.600 -0.259 0.000 1.023 1473 K CA -1.431 54.758 56.287 -0.163 0.000 0.955 1473 K CB 0.211 32.629 32.500 -0.136 0.000 0.975 1473 K HN 0.313 nan 8.250 nan 0.000 0.471 1474 P HA -0.019 nan 4.420 nan 0.000 0.274 1474 P C -0.958 176.216 177.300 -0.210 0.000 1.231 1474 P CA -0.002 62.975 63.100 -0.205 0.000 0.790 1474 P CB 0.400 32.032 31.700 -0.114 0.000 0.951 1475 Y N 0.257 120.520 120.300 -0.062 0.000 2.425 1475 Y HA 0.042 4.592 4.550 -0.000 0.000 0.331 1475 Y C 2.198 178.044 175.900 -0.090 0.000 1.157 1475 Y CA 0.534 58.595 58.100 -0.065 0.000 1.372 1475 Y CB 0.543 38.961 38.460 -0.070 0.000 1.253 1475 Y HN 0.394 nan 8.280 nan 0.000 0.536 1476 T N -2.408 112.205 114.554 0.099 0.000 3.081 1476 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 1476 T C 0.223 174.927 174.700 0.007 0.000 1.100 1476 T CA 0.417 62.537 62.100 0.034 0.000 1.038 1476 T CB -0.158 68.730 68.868 0.033 0.000 0.962 1476 T HN 0.533 nan 8.240 nan 0.000 0.516 1477 S N -1.207 114.484 115.700 -0.015 0.000 2.615 1477 S HA 0.538 5.008 4.470 -0.000 0.000 0.268 1477 S C -0.278 174.222 174.600 -0.166 0.000 1.146 1477 S CA -0.959 57.206 58.200 -0.059 0.000 0.818 1477 S CB 0.021 63.243 63.200 0.038 0.000 1.111 1477 S HN -0.070 nan 8.310 nan 0.000 0.465 1478 F N 1.853 121.780 119.950 -0.039 0.000 2.325 1478 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 1478 F C 2.800 178.528 175.800 -0.121 0.000 1.090 1478 F CA 1.234 59.168 58.000 -0.110 0.000 1.392 1478 F CB -0.027 38.917 39.000 -0.095 0.000 1.053 1478 F HN 0.586 nan 8.300 nan 0.000 0.521 1479 Q N 0.521 120.376 119.800 0.092 0.000 2.119 1479 Q HA -0.219 4.121 4.340 -0.000 0.000 0.201 1479 Q C 1.862 177.856 176.000 -0.009 0.000 0.972 1479 Q CA 1.398 57.224 55.803 0.039 0.000 0.847 1479 Q CB -0.967 27.802 28.738 0.051 0.000 0.903 1479 Q HN 0.535 nan 8.270 nan 0.000 0.433 1480 E N 0.688 120.883 120.200 -0.008 0.000 2.106 1480 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 1480 E C 2.010 178.524 176.600 -0.144 0.000 0.984 1480 E CA 0.540 56.959 56.400 0.032 0.000 0.806 1480 E CB 0.068 29.871 29.700 0.172 0.000 0.750 1480 E HN 0.258 nan 8.360 nan 0.000 0.458 1481 L N 0.688 121.633 121.223 -0.462 0.000 1.988 1481 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 1481 L C 2.612 179.220 176.870 -0.436 0.000 1.071 1481 L CA 2.656 56.949 54.840 -0.913 0.000 0.744 1481 L CB -0.890 40.696 42.059 -0.790 0.000 0.893 1481 L HN 0.225 nan 8.230 nan 0.000 0.433 1482 T N -3.634 110.780 114.554 -0.235 0.000 2.985 1482 T HA 0.187 4.537 4.350 -0.000 0.000 0.266 1482 T C 1.625 176.273 174.700 -0.086 0.000 1.076 1482 T CA 0.654 62.669 62.100 -0.141 0.000 1.135 1482 T CB -0.451 68.368 68.868 -0.081 0.000 0.890 1482 T HN 0.800 nan 8.240 nan 0.000 0.480 1483 G N 1.547 110.310 108.800 -0.062 0.000 2.184 1483 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.264 1483 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.264 1483 G C -0.114 174.781 174.900 -0.010 0.000 0.975 1483 G CA 0.631 45.717 45.100 -0.022 0.000 0.642 1483 G HN 1.014 nan 8.290 nan 0.000 0.536 1484 E N -2.060 118.133 120.200 -0.011 0.000 2.440 1484 E HA 0.872 5.222 4.350 -0.000 0.000 0.263 1484 E C 0.713 177.320 176.600 0.012 0.000 0.938 1484 E CA -1.038 55.362 56.400 0.001 0.000 0.831 1484 E CB 0.483 30.182 29.700 -0.003 0.000 1.456 1484 E HN -0.114 nan 8.360 nan 0.000 0.427 1485 K N -0.167 120.242 120.400 0.016 0.000 2.344 1485 K HA 0.135 4.455 4.320 -0.000 0.000 0.200 1485 K C 1.643 178.260 176.600 0.028 0.000 1.132 1485 K CA 0.899 57.201 56.287 0.024 0.000 0.935 1485 K CB 0.099 32.612 32.500 0.023 0.000 1.089 1485 K HN 0.723 nan 8.250 nan 0.000 0.496 1486 E N 1.083 121.299 120.200 0.026 0.000 2.031 1486 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 1486 E C 1.991 178.626 176.600 0.057 0.000 0.994 1486 E CA 1.122 57.542 56.400 0.033 0.000 0.800 1486 E CB 0.092 29.806 29.700 0.024 0.000 0.752 1486 E HN 0.091 nan 8.360 nan 0.000 0.447 1487 M N 0.232 119.877 119.600 0.074 0.000 2.117 1487 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 1487 M C 2.484 178.807 176.300 0.039 0.000 1.065 1487 M CA 1.333 56.722 55.300 0.149 0.000 1.114 1487 M CB -0.248 32.444 32.600 0.154 0.000 1.361 1487 M HN 0.255 nan 8.290 nan 0.000 0.408 1488 A N 0.579 123.403 122.820 0.006 0.000 1.917 1488 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 1488 A C 2.355 179.909 177.584 -0.050 0.000 1.182 1488 A CA 2.170 54.207 52.037 0.000 0.000 0.633 1488 A CB -0.975 18.066 19.000 0.069 0.000 0.819 1488 A HN 0.521 nan 8.150 nan 0.000 0.448 1489 A N -0.522 122.297 122.820 -0.002 0.000 1.902 1489 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 1489 A C 2.042 179.608 177.584 -0.030 0.000 1.181 1489 A CA 1.903 53.938 52.037 -0.002 0.000 0.623 1489 A CB -0.538 18.476 19.000 0.023 0.000 0.818 1489 A HN 0.695 nan 8.150 nan 0.000 0.443 1490 E N -0.232 119.977 120.200 0.015 0.000 2.106 1490 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 1490 E C 1.885 178.474 176.600 -0.019 0.000 0.984 1490 E CA 0.886 57.334 56.400 0.080 0.000 0.806 1490 E CB -0.204 29.639 29.700 0.238 0.000 0.750 1490 E HN 0.620 nan 8.360 nan 0.000 0.458 1491 L N 0.596 121.655 121.223 -0.272 0.000 2.056 1491 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 1491 L C 2.651 179.012 176.870 -0.848 0.000 1.078 1491 L CA 1.521 55.971 54.840 -0.649 0.000 0.749 1491 L CB -0.348 41.089 42.059 -1.037 0.000 0.901 1491 L HN 0.245 nan 8.230 nan 0.000 0.433 1492 E N 0.351 120.057 120.200 -0.823 0.000 2.110 1492 E HA -0.296 4.054 4.350 -0.000 0.000 0.193 1492 E C 2.022 178.558 176.600 -0.108 0.000 0.988 1492 E CA 1.397 57.555 56.400 -0.404 0.000 0.804 1492 E CB 0.152 29.834 29.700 -0.030 0.000 0.745 1492 E HN 0.424 nan 8.360 nan 0.000 0.458 1493 E N 0.213 120.359 120.200 -0.089 0.000 2.047 1493 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 1493 E C 2.021 178.612 176.600 -0.015 0.000 0.987 1493 E CA 1.234 57.624 56.400 -0.017 0.000 0.799 1493 E CB -0.152 29.551 29.700 0.005 0.000 0.752 1493 E HN 0.323 nan 8.360 nan 0.000 0.449 1494 L N -0.690 120.511 121.223 -0.038 0.000 2.027 1494 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 1494 L C 2.203 179.007 176.870 -0.110 0.000 1.074 1494 L CA 1.323 56.122 54.840 -0.068 0.000 0.745 1494 L CB -0.435 41.588 42.059 -0.060 0.000 0.898 1494 L HN 0.250 nan 8.230 nan 0.000 0.433 1495 Y N -0.680 119.588 120.300 -0.052 0.000 2.448 1495 Y HA 0.052 4.602 4.550 -0.000 0.000 0.289 1495 Y C 2.087 178.047 175.900 0.101 0.000 1.114 1495 Y CA 0.775 58.907 58.100 0.054 0.000 1.235 1495 Y CB 0.227 38.782 38.460 0.158 0.000 1.045 1495 Y HN 0.309 nan 8.280 nan 0.000 0.554 1496 G N -0.284 108.651 108.800 0.225 0.000 2.507 1496 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.240 1496 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.240 1496 G C -0.050 174.998 174.900 0.247 0.000 1.119 1496 G CA 0.658 45.870 45.100 0.187 0.000 0.664 1496 G HN 0.369 nan 8.290 nan 0.000 0.516 1497 D N -1.071 119.530 120.400 0.334 0.000 2.947 1497 D HA 0.476 5.116 4.640 -0.000 0.000 0.224 1497 D C 0.973 177.416 176.300 0.238 0.000 1.230 1497 D CA -0.443 53.717 54.000 0.266 0.000 0.871 1497 D CB 1.342 42.240 40.800 0.164 0.000 1.671 1497 D HN 0.159 nan 8.370 nan 0.000 0.507 1498 I N 2.254 122.819 120.570 -0.007 0.000 2.423 1498 I HA -0.152 4.018 4.170 -0.000 0.000 0.254 1498 I C 1.091 177.084 176.117 -0.207 0.000 1.151 1498 I CA 1.551 62.553 61.300 -0.498 0.000 1.421 1498 I CB 0.040 37.727 38.000 -0.523 0.000 1.079 1498 I HN 0.359 nan 8.210 nan 0.000 0.431 1499 D N 0.353 120.731 120.400 -0.036 0.000 2.363 1499 D HA 0.103 4.743 4.640 -0.000 0.000 0.226 1499 D C 1.728 178.072 176.300 0.074 0.000 1.020 1499 D CA 0.920 54.936 54.000 0.027 0.000 0.892 1499 D CB 0.297 41.133 40.800 0.059 0.000 0.900 1499 D HN 0.518 nan 8.370 nan 0.000 0.531 1500 A N 0.156 123.024 122.820 0.079 0.000 2.343 1500 A HA 0.118 4.438 4.320 -0.000 0.000 0.223 1500 A C 0.888 178.477 177.584 0.008 0.000 1.214 1500 A CA -0.338 51.788 52.037 0.147 0.000 0.900 1500 A CB 0.203 19.369 19.000 0.276 0.000 0.942 1500 A HN 0.173 nan 8.150 nan 0.000 0.507 1501 L N 1.676 122.745 121.223 -0.256 0.000 2.540 1501 L HA 0.133 4.473 4.340 -0.000 0.000 0.276 1501 L C 0.133 176.914 176.870 -0.149 0.000 1.212 1501 L CA 0.346 54.816 54.840 -0.618 0.000 0.893 1501 L CB -0.016 41.788 42.059 -0.425 0.000 1.138 1501 L HN 0.402 nan 8.230 nan 0.000 0.491 1502 E N 3.588 123.742 120.200 -0.077 0.000 2.345 1502 E HA 0.050 4.399 4.350 -0.000 0.000 0.259 1502 E C 0.391 177.126 176.600 0.224 0.000 1.117 1502 E CA -0.292 56.221 56.400 0.189 0.000 0.913 1502 E CB 0.575 30.437 29.700 0.271 0.000 1.057 1502 E HN 0.657 nan 8.360 nan 0.000 0.432 1503 F N 1.366 121.433 119.950 0.195 0.000 2.011 1503 F HA -0.334 4.193 4.527 -0.000 0.000 0.296 1503 F C 2.091 177.970 175.800 0.132 0.000 1.144 1503 F CA 1.844 59.982 58.000 0.229 0.000 1.185 1503 F CB -0.405 38.638 39.000 0.072 0.000 0.961 1503 F HN 0.626 nan 8.300 nan 0.000 0.485 1504 Y N 1.177 121.464 120.300 -0.021 0.000 2.128 1504 Y HA -0.079 4.471 4.550 -0.000 0.000 0.284 1504 Y C -0.762 175.008 175.900 -0.216 0.000 1.154 1504 Y CA 1.653 59.649 58.100 -0.173 0.000 1.149 1504 Y CB -1.952 36.483 38.460 -0.041 0.000 0.976 1504 Y HN 0.073 nan 8.280 nan 0.000 0.505 1505 P HA -0.116 nan 4.420 nan 0.000 0.216 1505 P C 1.705 178.705 177.300 -0.499 0.000 1.150 1505 P CA 2.338 65.271 63.100 -0.278 0.000 0.837 1505 P CB -0.417 31.250 31.700 -0.055 0.000 0.786 1506 G N -0.240 108.138 108.800 -0.703 0.000 2.418 1506 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.217 1506 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.217 1506 G C 1.508 175.665 174.900 -1.237 0.000 1.158 1506 G CA 0.521 44.788 45.100 -1.388 0.000 0.771 1506 G HN 0.214 nan 8.290 nan 0.000 0.545 1507 L N -0.187 120.504 121.223 -0.887 0.000 2.042 1507 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 1507 L C 2.826 179.432 176.870 -0.439 0.000 1.076 1507 L CA 0.768 55.301 54.840 -0.512 0.000 0.749 1507 L CB -0.271 41.512 42.059 -0.460 0.000 0.893 1507 L HN 0.190 nan 8.230 nan 0.000 0.432 1508 L N -0.962 119.952 121.223 -0.516 0.000 2.341 1508 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 1508 L C 2.037 178.727 176.870 -0.300 0.000 1.115 1508 L CA 0.524 55.128 54.840 -0.392 0.000 0.820 1508 L CB -0.045 41.727 42.059 -0.480 0.000 0.944 1508 L HN 0.295 nan 8.230 nan 0.000 0.452 1509 L N -0.807 120.207 121.223 -0.348 0.000 2.554 1509 L HA 0.087 4.427 4.340 -0.000 0.000 0.225 1509 L C 1.137 177.842 176.870 -0.274 0.000 1.104 1509 L CA -0.089 54.584 54.840 -0.277 0.000 0.866 1509 L CB 0.014 41.897 42.059 -0.294 0.000 1.047 1509 L HN 0.206 nan 8.230 nan 0.000 0.468 1510 E N 2.959 122.969 120.200 -0.317 0.000 2.413 1510 E HA -0.010 4.340 4.350 -0.000 0.000 0.263 1510 E C -0.064 176.428 176.600 -0.179 0.000 1.015 1510 E CA -0.398 55.844 56.400 -0.264 0.000 0.916 1510 E CB 0.679 30.275 29.700 -0.173 0.000 0.947 1510 E HN 0.140 nan 8.360 nan 0.000 0.440 1511 K N 2.844 123.153 120.400 -0.151 0.000 2.448 1511 K HA 0.066 4.386 4.320 -0.000 0.000 0.278 1511 K C -0.583 175.959 176.600 -0.096 0.000 1.009 1511 K CA -0.624 55.603 56.287 -0.100 0.000 0.995 1511 K CB 0.350 32.811 32.500 -0.065 0.000 0.917 1511 K HN 0.325 nan 8.250 nan 0.000 0.481 1512 C N 2.539 121.791 119.300 -0.079 0.000 2.656 1512 C HA 0.126 4.586 4.460 -0.000 0.000 0.391 1512 C C 0.803 175.771 174.990 -0.037 0.000 1.300 1512 C CA -0.458 58.516 59.018 -0.073 0.000 2.302 1512 C CB -0.625 27.083 27.740 -0.054 0.000 2.655 1512 C HN 0.783 nan 8.230 nan 0.000 0.656 1513 H N 1.065 120.100 119.070 -0.058 0.000 2.757 1513 H HA 0.146 4.702 4.556 -0.000 0.000 0.370 1513 H C -2.031 173.289 175.328 -0.013 0.000 1.172 1513 H CA -0.766 55.229 56.048 -0.088 0.000 1.426 1513 H CB 0.151 29.711 29.762 -0.337 0.000 1.438 1513 H HN 0.430 nan 8.280 nan 0.000 0.612 1514 P HA -0.100 nan 4.420 nan 0.000 0.260 1514 P C -0.615 176.745 177.300 0.099 0.000 1.185 1514 P CA 0.727 63.907 63.100 0.134 0.000 0.763 1514 P CB 0.077 31.881 31.700 0.173 0.000 0.776 1515 N N -0.441 118.286 118.700 0.044 0.000 2.708 1515 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 1515 N C -0.504 174.992 175.510 -0.024 0.000 1.097 1515 N CA 0.825 53.876 53.050 0.002 0.000 0.710 1515 N CB -1.341 37.152 38.487 0.010 0.000 1.032 1515 N HN 0.303 nan 8.380 nan 0.000 0.551 1516 S N -0.382 115.307 115.700 -0.018 0.000 2.681 1516 S HA 0.455 4.925 4.470 -0.000 0.000 0.299 1516 S C 1.308 175.789 174.600 -0.197 0.000 1.113 1516 S CA -0.815 57.344 58.200 -0.068 0.000 1.013 1516 S CB 1.909 65.141 63.200 0.053 0.000 1.076 1516 S HN 0.274 nan 8.310 nan 0.000 0.534 1517 I N 0.781 121.113 120.570 -0.397 0.000 2.546 1517 I HA 0.074 4.244 4.170 -0.000 0.000 0.255 1517 I C -0.317 175.491 176.117 -0.514 0.000 1.163 1517 I CA 1.139 62.083 61.300 -0.592 0.000 1.457 1517 I CB -0.014 37.424 38.000 -0.937 0.000 1.092 1517 I HN 0.661 nan 8.210 nan 0.000 0.434 1518 F N -2.251 117.563 119.950 -0.227 0.000 2.985 1518 F HA 0.639 5.166 4.527 -0.000 0.000 0.322 1518 F C 0.259 175.916 175.800 -0.239 0.000 1.187 1518 F CA -1.204 56.652 58.000 -0.240 0.000 0.910 1518 F CB -0.059 38.764 39.000 -0.295 0.000 1.411 1518 F HN -0.269 nan 8.300 nan 0.000 0.492 1519 G N -0.233 108.573 108.800 0.010 0.000 2.621 1519 G HA2 0.340 4.300 3.960 -0.000 0.000 0.271 1519 G HA3 0.340 4.300 3.960 -0.000 0.000 0.271 1519 G C 0.410 175.081 174.900 -0.382 0.000 1.236 1519 G CA -0.037 44.921 45.100 -0.237 0.000 0.958 1519 G HN 0.989 nan 8.290 nan 0.000 0.512 1520 E N -0.759 119.098 120.200 -0.571 0.000 2.110 1520 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 1520 E C 2.218 178.736 176.600 -0.136 0.000 0.988 1520 E CA 1.518 57.697 56.400 -0.368 0.000 0.804 1520 E CB -0.280 29.297 29.700 -0.206 0.000 0.745 1520 E HN 0.261 nan 8.360 nan 0.000 0.458 1521 S N 0.654 116.298 115.700 -0.093 0.000 2.382 1521 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 1521 S C 1.793 176.296 174.600 -0.161 0.000 1.027 1521 S CA 1.506 59.675 58.200 -0.050 0.000 0.991 1521 S CB -0.263 63.026 63.200 0.149 0.000 0.823 1521 S HN 0.234 nan 8.310 nan 0.000 0.469 1522 M N 1.450 120.863 119.600 -0.311 0.000 2.149 1522 M HA 0.005 4.485 4.480 -0.000 0.000 0.261 1522 M C 1.613 177.657 176.300 -0.426 0.000 1.064 1522 M CA 1.471 56.462 55.300 -0.516 0.000 1.102 1522 M CB -0.494 31.395 32.600 -1.184 0.000 1.369 1522 M HN 0.280 nan 8.290 nan 0.000 0.408 1523 I N -0.788 119.592 120.570 -0.317 0.000 2.235 1523 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 1523 I C 2.056 178.157 176.117 -0.026 0.000 1.085 1523 I CA 0.776 62.035 61.300 -0.069 0.000 1.378 1523 I CB -0.604 37.474 38.000 0.130 0.000 1.076 1523 I HN 0.174 nan 8.210 nan 0.000 0.415 1524 E N 0.555 120.738 120.200 -0.029 0.000 2.204 1524 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 1524 E C 2.088 178.577 176.600 -0.184 0.000 0.990 1524 E CA 1.349 57.736 56.400 -0.021 0.000 0.821 1524 E CB -0.124 29.591 29.700 0.024 0.000 0.750 1524 E HN 0.565 nan 8.360 nan 0.000 0.477 1525 M N -1.026 118.371 119.600 -0.339 0.000 2.552 1525 M HA 0.119 4.599 4.480 -0.000 0.000 0.264 1525 M C 2.223 178.232 176.300 -0.484 0.000 1.159 1525 M CA 0.966 55.768 55.300 -0.829 0.000 1.176 1525 M CB 0.069 32.340 32.600 -0.549 0.000 1.327 1525 M HN 0.064 nan 8.290 nan 0.000 0.481 1526 G N 0.225 108.957 108.800 -0.113 0.000 2.408 1526 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.215 1526 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.215 1526 G C 1.624 176.587 174.900 0.106 0.000 1.156 1526 G CA 0.837 46.022 45.100 0.142 0.000 0.793 1526 G HN 0.461 nan 8.290 nan 0.000 0.535 1527 A N 1.788 124.629 122.820 0.035 0.000 1.883 1527 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 1527 A C 0.728 178.324 177.584 0.019 0.000 1.186 1527 A CA 1.995 54.075 52.037 0.072 0.000 0.624 1527 A CB -1.225 17.826 19.000 0.084 0.000 0.822 1527 A HN 0.359 nan 8.150 nan 0.000 0.444 1528 P HA -0.155 nan 4.420 nan 0.000 0.215 1528 P C 1.191 178.401 177.300 -0.151 0.000 1.157 1528 P CA 1.259 64.296 63.100 -0.105 0.000 0.874 1528 P CB -0.216 31.406 31.700 -0.130 0.000 0.790 1529 F N -0.439 119.371 119.950 -0.234 0.000 2.102 1529 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 1529 F C 2.488 177.919 175.800 -0.615 0.000 1.105 1529 F CA 1.251 58.886 58.000 -0.608 0.000 1.239 1529 F CB -0.951 37.237 39.000 -1.354 0.000 0.991 1529 F HN -0.120 nan 8.300 nan 0.000 0.474 1530 S N 0.657 116.286 115.700 -0.119 0.000 2.355 1530 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 1530 S C 2.056 176.745 174.600 0.148 0.000 1.031 1530 S CA 1.081 59.384 58.200 0.170 0.000 0.993 1530 S CB -0.592 62.848 63.200 0.401 0.000 0.859 1530 S HN 0.248 nan 8.310 nan 0.000 0.453 1531 L N 1.126 122.424 121.223 0.125 0.000 2.083 1531 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 1531 L C 2.527 179.488 176.870 0.150 0.000 1.083 1531 L CA 1.202 56.122 54.840 0.134 0.000 0.752 1531 L CB -0.465 41.666 42.059 0.120 0.000 0.899 1531 L HN 0.231 nan 8.230 nan 0.000 0.433 1532 K N 0.910 121.382 120.400 0.120 0.000 2.097 1532 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 1532 K C 1.895 178.566 176.600 0.118 0.000 1.049 1532 K CA 1.612 57.988 56.287 0.148 0.000 0.933 1532 K CB -0.692 31.834 32.500 0.045 0.000 0.717 1532 K HN 0.191 nan 8.250 nan 0.000 0.442 1533 G N 0.160 108.985 108.800 0.042 0.000 2.448 1533 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 1533 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 1533 G C 1.169 176.106 174.900 0.062 0.000 1.135 1533 G CA 0.465 45.561 45.100 -0.006 0.000 0.784 1533 G HN 0.190 nan 8.290 nan 0.000 0.543 1534 L N 0.196 121.493 121.223 0.124 0.000 2.071 1534 L HA 0.251 4.591 4.340 -0.000 0.000 0.201 1534 L C 2.628 179.609 176.870 0.183 0.000 1.076 1534 L CA 0.828 55.748 54.840 0.134 0.000 0.755 1534 L CB -1.023 41.101 42.059 0.109 0.000 0.915 1534 L HN 0.092 nan 8.230 nan 0.000 0.445 1535 L N -0.437 120.928 121.223 0.236 0.000 2.395 1535 L HA 0.056 4.396 4.340 -0.000 0.000 0.218 1535 L C 2.162 179.358 176.870 0.544 0.000 1.130 1535 L CA 1.132 56.158 54.840 0.310 0.000 0.826 1535 L CB -1.600 40.520 42.059 0.102 0.000 0.941 1535 L HN 0.337 nan 8.230 nan 0.000 0.451 1536 G N -0.358 108.720 108.800 0.464 0.000 2.776 1536 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.209 1536 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.209 1536 G C 0.890 175.989 174.900 0.333 0.000 1.145 1536 G CA -0.203 45.114 45.100 0.362 0.000 0.791 1536 G HN 0.310 nan 8.290 nan 0.000 0.530 1537 N N 1.095 119.988 118.700 0.323 0.000 2.492 1537 N HA 0.065 4.805 4.740 -0.000 0.000 0.260 1537 N C -1.010 174.659 175.510 0.264 0.000 1.215 1537 N CA -1.394 51.809 53.050 0.255 0.000 0.923 1537 N CB 2.085 40.718 38.487 0.243 0.000 1.092 1537 N HN -0.058 nan 8.380 nan 0.000 0.448 1538 P HA -0.138 nan 4.420 nan 0.000 0.220 1538 P C 1.463 178.734 177.300 -0.047 0.000 1.148 1538 P CA 1.151 64.198 63.100 -0.088 0.000 0.803 1538 P CB -0.097 31.485 31.700 -0.196 0.000 0.782 1539 I N -3.340 117.424 120.570 0.324 0.000 2.916 1539 I HA -0.072 4.098 4.170 -0.000 0.000 0.267 1539 I C 1.491 177.943 176.117 0.559 0.000 1.263 1539 I CA 1.095 62.738 61.300 0.572 0.000 1.471 1539 I CB -1.116 37.291 38.000 0.677 0.000 1.089 1539 I HN -0.164 nan 8.210 nan 0.000 0.468 1540 C N 1.454 120.936 119.300 0.303 0.000 2.697 1540 C HA 0.206 4.666 4.460 -0.000 0.000 0.267 1540 C C 1.750 176.676 174.990 -0.107 0.000 1.278 1540 C CA 0.173 59.288 59.018 0.162 0.000 1.708 1540 C CB -1.766 26.139 27.740 0.275 0.000 1.860 1540 C HN 0.703 nan 8.230 nan 0.000 0.589 1541 S N 1.669 117.075 115.700 -0.489 0.000 2.603 1541 S HA 0.228 4.698 4.470 -0.000 0.000 0.268 1541 S C -1.799 172.629 174.600 -0.286 0.000 1.317 1541 S CA -0.609 56.999 58.200 -0.987 0.000 1.012 1541 S CB 0.740 63.367 63.200 -0.955 0.000 0.926 1541 S HN 0.038 nan 8.310 nan 0.000 0.539 1542 P HA -0.091 nan 4.420 nan 0.000 0.218 1542 P C 1.375 178.583 177.300 -0.154 0.000 1.148 1542 P CA 1.141 63.862 63.100 -0.633 0.000 0.822 1542 P CB 0.079 31.302 31.700 -0.795 0.000 0.784 1543 E N -1.342 118.797 120.200 -0.103 0.000 2.106 1543 E HA -0.170 4.179 4.350 -0.000 0.000 0.192 1543 E C 1.657 178.410 176.600 0.256 0.000 0.984 1543 E CA 1.553 57.987 56.400 0.057 0.000 0.806 1543 E CB -0.736 28.996 29.700 0.053 0.000 0.750 1543 E HN 0.391 nan 8.360 nan 0.000 0.458 1544 Y N -2.043 118.254 120.300 -0.006 0.000 2.436 1544 Y HA 0.026 4.576 4.550 -0.000 0.000 0.288 1544 Y C 0.884 176.857 175.900 0.122 0.000 1.112 1544 Y CA -0.538 57.569 58.100 0.012 0.000 1.220 1544 Y CB 0.097 38.579 38.460 0.038 0.000 1.073 1544 Y HN 0.099 nan 8.280 nan 0.000 0.552 1545 W N 4.658 126.114 121.300 0.259 0.000 1.539 1545 W HA 0.156 4.816 4.660 -0.000 0.000 0.502 1545 W C -1.017 175.645 176.519 0.239 0.000 0.689 1545 W CA 0.648 58.219 57.345 0.378 0.000 2.088 1545 W CB -0.561 29.209 29.460 0.517 0.000 1.686 1545 W HN 0.073 nan 8.180 nan 0.000 0.211 1546 K N 1.361 121.604 120.400 -0.261 0.000 2.536 1546 K HA 0.432 4.752 4.320 -0.000 0.000 0.269 1546 K C 0.558 176.627 176.600 -0.884 0.000 0.965 1546 K CA -0.476 55.548 56.287 -0.437 0.000 0.860 1546 K CB 1.432 33.833 32.500 -0.166 0.000 1.423 1546 K HN -0.056 nan 8.250 nan 0.000 0.438 1547 A N 0.798 123.177 122.820 -0.736 0.000 1.940 1547 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 1547 A C 1.973 179.428 177.584 -0.214 0.000 1.176 1547 A CA 2.402 54.139 52.037 -0.500 0.000 0.631 1547 A CB -0.912 18.066 19.000 -0.036 0.000 0.814 1547 A HN 0.776 nan 8.150 nan 0.000 0.446 1548 S N -0.920 114.676 115.700 -0.174 0.000 2.399 1548 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 1548 S C 1.774 176.256 174.600 -0.197 0.000 1.022 1548 S CA 1.840 59.977 58.200 -0.106 0.000 0.983 1548 S CB -1.196 61.954 63.200 -0.084 0.000 0.803 1548 S HN 0.499 nan 8.310 nan 0.000 0.480 1549 T N 1.628 115.950 114.554 -0.386 0.000 2.788 1549 T HA 0.034 4.384 4.350 -0.000 0.000 0.268 1549 T C 0.639 174.928 174.700 -0.686 0.000 1.044 1549 T CA 1.251 62.970 62.100 -0.635 0.000 1.139 1549 T CB -0.496 67.814 68.868 -0.930 0.000 0.867 1549 T HN 0.590 nan 8.240 nan 0.000 0.454 1550 F N 0.537 120.390 119.950 -0.162 0.000 2.660 1550 F HA 0.455 4.982 4.527 -0.000 0.000 0.297 1550 F C 1.691 177.535 175.800 0.074 0.000 1.132 1550 F CA -0.362 57.618 58.000 -0.033 0.000 1.372 1550 F CB -0.287 38.699 39.000 -0.023 0.000 1.003 1550 F HN 0.221 nan 8.300 nan 0.000 0.524 1551 G N 0.085 109.007 108.800 0.203 0.000 2.148 1551 G HA2 0.077 4.037 3.960 -0.000 0.000 0.254 1551 G HA3 0.077 4.037 3.960 -0.000 0.000 0.254 1551 G C 0.605 175.689 174.900 0.306 0.000 0.981 1551 G CA 0.013 45.311 45.100 0.330 0.000 0.670 1551 G HN 1.213 nan 8.290 nan 0.000 0.528 1552 G N -1.351 107.567 108.800 0.197 0.000 2.373 1552 G HA2 0.295 4.255 3.960 -0.000 0.000 0.634 1552 G HA3 0.295 4.255 3.960 -0.000 0.000 0.634 1552 G C 0.149 175.147 174.900 0.163 0.000 1.267 1552 G CA 0.519 45.713 45.100 0.157 0.000 1.008 1552 G HN 0.898 nan 8.290 nan 0.000 0.497 1553 E N -0.886 119.393 120.200 0.132 0.000 2.118 1553 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 1553 E C 2.635 179.306 176.600 0.118 0.000 0.992 1553 E CA 2.177 58.663 56.400 0.143 0.000 0.804 1553 E CB -0.145 29.605 29.700 0.084 0.000 0.741 1553 E HN 1.141 nan 8.360 nan 0.000 0.458 1554 V N -0.351 119.611 119.914 0.080 0.000 2.295 1554 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 1554 V C 1.977 178.127 176.094 0.093 0.000 1.049 1554 V CA 2.532 64.866 62.300 0.056 0.000 1.024 1554 V CB -0.752 31.081 31.823 0.017 0.000 0.648 1554 V HN 0.404 nan 8.190 nan 0.000 0.447 1555 G N -1.482 107.408 108.800 0.150 0.000 2.402 1555 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 1555 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 1555 G C 1.545 176.556 174.900 0.186 0.000 1.162 1555 G CA 0.922 46.140 45.100 0.197 0.000 0.777 1555 G HN 0.505 nan 8.290 nan 0.000 0.539 1556 F N 2.345 122.277 119.950 -0.030 0.000 2.171 1556 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 1556 F C 2.255 177.915 175.800 -0.233 0.000 1.090 1556 F CA 0.883 58.725 58.000 -0.263 0.000 1.293 1556 F CB -0.342 38.554 39.000 -0.174 0.000 1.013 1556 F HN 0.080 nan 8.300 nan 0.000 0.486 1557 N N 0.429 119.126 118.700 -0.006 0.000 2.331 1557 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 1557 N C 2.155 177.643 175.510 -0.038 0.000 1.019 1557 N CA 0.745 53.745 53.050 -0.083 0.000 0.881 1557 N CB -0.461 38.002 38.487 -0.040 0.000 0.972 1557 N HN 0.323 nan 8.380 nan 0.000 0.435 1558 L N 0.270 121.500 121.223 0.011 0.000 2.042 1558 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 1558 L C 2.147 179.051 176.870 0.056 0.000 1.076 1558 L CA 0.869 55.734 54.840 0.042 0.000 0.749 1558 L CB -0.403 41.702 42.059 0.077 0.000 0.893 1558 L HN -0.024 nan 8.230 nan 0.000 0.432 1559 V N -0.179 119.746 119.914 0.018 0.000 2.270 1559 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 1559 V C 2.342 178.511 176.094 0.125 0.000 1.043 1559 V CA 1.727 64.073 62.300 0.077 0.000 1.014 1559 V CB -0.487 31.296 31.823 -0.067 0.000 0.645 1559 V HN 0.406 nan 8.190 nan 0.000 0.447 1560 K N 0.346 120.733 120.400 -0.022 0.000 2.280 1560 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 1560 K C 1.636 178.251 176.600 0.025 0.000 1.047 1560 K CA 1.715 57.989 56.287 -0.021 0.000 0.942 1560 K CB -0.216 32.150 32.500 -0.223 0.000 0.739 1560 K HN 0.700 nan 8.250 nan 0.000 0.457 1561 T N -2.732 111.837 114.554 0.024 0.000 3.145 1561 T HA 0.394 4.744 4.350 -0.000 0.000 0.281 1561 T C 0.338 175.069 174.700 0.050 0.000 1.003 1561 T CA -0.540 61.576 62.100 0.028 0.000 0.901 1561 T CB 0.407 69.275 68.868 -0.001 0.000 1.112 1561 T HN 0.064 nan 8.240 nan 0.000 0.535 1562 A N 1.205 124.079 122.820 0.090 0.000 2.531 1562 A HA 0.545 4.865 4.320 -0.000 0.000 0.236 1562 A C 0.363 177.995 177.584 0.080 0.000 1.062 1562 A CA 0.179 52.276 52.037 0.101 0.000 0.760 1562 A CB -0.014 19.088 19.000 0.170 0.000 0.995 1562 A HN 0.435 nan 8.150 nan 0.000 0.501 1563 T N 1.940 116.520 114.554 0.042 0.000 2.900 1563 T HA 0.335 4.685 4.350 -0.000 0.000 0.303 1563 T C 1.163 175.840 174.700 -0.037 0.000 1.142 1563 T CA -0.623 61.479 62.100 0.002 0.000 1.007 1563 T CB 1.241 70.094 68.868 -0.025 0.000 1.156 1563 T HN 0.582 nan 8.240 nan 0.000 0.490 1564 L N 2.250 123.416 121.223 -0.095 0.000 2.042 1564 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 1564 L C 2.521 179.292 176.870 -0.165 0.000 1.076 1564 L CA 1.903 56.646 54.840 -0.162 0.000 0.749 1564 L CB -0.298 41.508 42.059 -0.422 0.000 0.893 1564 L HN 0.714 nan 8.230 nan 0.000 0.432 1565 K N 0.243 120.542 120.400 -0.168 0.000 2.032 1565 K HA -0.255 4.065 4.320 -0.000 0.000 0.209 1565 K C 2.103 178.633 176.600 -0.116 0.000 1.048 1565 K CA 1.838 58.036 56.287 -0.149 0.000 0.927 1565 K CB -0.001 32.419 32.500 -0.133 0.000 0.712 1565 K HN 0.243 nan 8.250 nan 0.000 0.441 1566 K N 0.408 120.754 120.400 -0.090 0.000 2.097 1566 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 1566 K C 2.037 178.578 176.600 -0.097 0.000 1.050 1566 K CA 1.015 57.257 56.287 -0.075 0.000 0.938 1566 K CB -0.168 32.305 32.500 -0.045 0.000 0.718 1566 K HN 0.096 nan 8.250 nan 0.000 0.442 1567 L N 0.718 121.868 121.223 -0.122 0.000 2.042 1567 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 1567 L C 1.847 178.585 176.870 -0.219 0.000 1.076 1567 L CA 1.668 56.386 54.840 -0.203 0.000 0.749 1567 L CB -0.266 41.627 42.059 -0.276 0.000 0.893 1567 L HN -0.081 nan 8.230 nan 0.000 0.432 1568 V N -1.554 118.251 119.914 -0.182 0.000 2.283 1568 V HA -0.240 3.880 4.120 -0.000 0.000 0.239 1568 V C 2.509 178.521 176.094 -0.136 0.000 1.035 1568 V CA 1.661 63.858 62.300 -0.172 0.000 1.018 1568 V CB -0.567 31.162 31.823 -0.157 0.000 0.658 1568 V HN 0.580 nan 8.190 nan 0.000 0.459 1569 c N -0.056 118.475 118.600 -0.114 0.000 2.419 1569 c HA -0.064 4.506 4.570 -0.000 0.000 0.281 1569 c C 2.414 176.455 174.090 -0.081 0.000 1.336 1569 c CA 0.345 56.620 56.329 -0.090 0.000 1.770 1569 c CB -1.133 41.329 42.510 -0.079 0.000 1.929 1569 c HN 0.460 nan 8.230 nan 0.000 0.509 1570 L N 1.189 122.362 121.223 -0.084 0.000 2.599 1570 L HA 0.105 4.445 4.340 -0.000 0.000 0.230 1570 L C 1.338 178.160 176.870 -0.080 0.000 1.141 1570 L CA 1.510 56.308 54.840 -0.071 0.000 0.877 1570 L CB -0.713 41.309 42.059 -0.060 0.000 1.009 1570 L HN 0.399 nan 8.230 nan 0.000 0.447 1571 N N -1.341 117.299 118.700 -0.101 0.000 2.197 1571 N HA 0.136 4.876 4.740 -0.000 0.000 0.228 1571 N C 0.070 175.507 175.510 -0.122 0.000 1.212 1571 N CA 0.312 53.294 53.050 -0.114 0.000 0.883 1571 N CB 1.100 39.506 38.487 -0.134 0.000 1.107 1571 N HN 0.282 nan 8.380 nan 0.000 0.519 1572 T N -2.745 111.747 114.554 -0.104 0.000 2.906 1572 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 1572 T C 0.974 175.630 174.700 -0.074 0.000 1.075 1572 T CA -0.608 61.434 62.100 -0.097 0.000 1.005 1572 T CB 2.459 71.272 68.868 -0.092 0.000 1.136 1572 T HN -0.346 nan 8.240 nan 0.000 0.498 1573 K N 1.020 121.382 120.400 -0.064 0.000 2.002 1573 K HA 0.092 4.412 4.320 -0.000 0.000 0.209 1573 K C 1.370 177.947 176.600 -0.038 0.000 1.048 1573 K CA 1.728 57.987 56.287 -0.047 0.000 0.930 1573 K CB -0.452 32.026 32.500 -0.036 0.000 0.714 1573 K HN 0.928 nan 8.250 nan 0.000 0.438 1574 T N -3.528 111.005 114.554 -0.035 0.000 2.930 1574 T HA 0.431 4.781 4.350 -0.000 0.000 0.290 1574 T C -0.596 174.083 174.700 -0.034 0.000 1.052 1574 T CA -1.152 60.931 62.100 -0.028 0.000 1.017 1574 T CB 1.702 70.560 68.868 -0.016 0.000 1.137 1574 T HN 0.103 nan 8.240 nan 0.000 0.511 1575 c N 4.261 122.844 118.600 -0.028 0.000 2.251 1575 c HA 0.713 5.283 4.570 -0.000 0.000 0.323 1575 c C -1.788 172.293 174.090 -0.016 0.000 1.241 1575 c CA -1.294 55.014 56.329 -0.034 0.000 1.601 1575 c CB -0.396 42.092 42.510 -0.038 0.000 2.251 1575 c HN 0.879 nan 8.230 nan 0.000 0.488 1576 P HA 0.204 nan 4.420 nan 0.000 0.306 1576 P C -1.297 176.029 177.300 0.043 0.000 1.309 1576 P CA -0.479 62.635 63.100 0.022 0.000 0.759 1576 P CB 0.493 32.199 31.700 0.011 0.000 1.314 1577 Y N 0.343 120.633 120.300 -0.016 0.000 2.465 1577 Y HA 0.356 4.905 4.550 -0.000 0.000 0.331 1577 Y C -0.542 175.355 175.900 -0.004 0.000 1.102 1577 Y CA -0.115 57.981 58.100 -0.007 0.000 1.358 1577 Y CB 0.129 38.593 38.460 0.007 0.000 1.213 1577 Y HN 0.122 nan 8.280 nan 0.000 0.525 1578 V N 6.901 126.437 119.914 -0.629 0.000 2.569 1578 V HA 0.767 4.887 4.120 -0.000 0.000 0.301 1578 V C -1.202 174.526 176.094 -0.609 0.000 1.044 1578 V CA 0.273 62.290 62.300 -0.473 0.000 0.874 1578 V CB 1.450 33.117 31.823 -0.261 0.000 1.002 1578 V HN 0.931 nan 8.190 nan 0.000 0.424 1579 S N 4.578 119.994 115.700 -0.474 0.000 2.627 1579 S HA 0.484 4.954 4.470 -0.000 0.000 0.268 1579 S C -0.480 174.087 174.600 -0.055 0.000 1.130 1579 S CA -0.387 57.607 58.200 -0.343 0.000 0.819 1579 S CB 1.182 64.192 63.200 -0.317 0.000 1.100 1579 S HN 0.622 nan 8.310 nan 0.000 0.465 1580 F N 1.370 121.389 119.950 0.114 0.000 2.727 1580 F HA 0.302 4.829 4.527 -0.000 0.000 0.302 1580 F C 1.129 177.008 175.800 0.132 0.000 1.097 1580 F CA -0.169 57.950 58.000 0.198 0.000 1.330 1580 F CB 0.441 39.584 39.000 0.238 0.000 1.084 1580 F HN 0.498 nan 8.300 nan 0.000 0.578 1581 H N 0.157 119.355 119.070 0.213 0.000 2.572 1581 H HA 0.297 4.853 4.556 -0.000 0.000 0.359 1581 H C -0.636 174.830 175.328 0.230 0.000 1.134 1581 H CA -0.472 55.663 56.048 0.146 0.000 1.187 1581 H CB 2.297 32.115 29.762 0.093 0.000 1.597 1581 H HN -0.147 nan 8.280 nan 0.000 0.524 1582 V N 6.339 126.363 119.914 0.182 0.000 2.843 1582 V HA 0.137 4.257 4.120 -0.000 0.000 0.305 1582 V C -1.806 174.498 176.094 0.350 0.000 1.065 1582 V CA -1.022 61.423 62.300 0.242 0.000 1.116 1582 V CB 1.005 32.858 31.823 0.050 0.000 0.968 1582 V HN 0.743 nan 8.190 nan 0.000 0.487 1583 P HA 0.158 nan 4.420 nan 0.000 0.274 1583 P C -0.876 176.414 177.300 -0.017 0.000 1.260 1583 P CA -0.107 62.907 63.100 -0.142 0.000 0.793 1583 P CB 0.642 31.946 31.700 -0.659 0.000 1.048 1584 D N 0.000 120.375 120.400 -0.041 0.000 6.856 1584 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1584 D CA 0.000 53.991 54.000 -0.016 0.000 0.868 1584 D CB 0.000 40.789 40.800 -0.017 0.000 0.688 1584 D HN 0.000 nan 8.370 nan 0.000 0.683