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 1pj2_1_B DATA FIRST_RESID 1021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 1021 I HA 0.000 nan 4.170 nan 0.000 0.288 1021 I C 0.000 176.136 176.117 0.032 0.000 1.063 1021 I CA 0.000 61.328 61.300 0.047 0.000 1.566 1021 I CB 0.000 38.034 38.000 0.056 0.000 1.214 1022 K N 3.314 123.727 120.400 0.023 0.000 2.308 1022 K HA 0.283 4.602 4.320 -0.002 0.000 0.197 1022 K C -0.063 176.539 176.600 0.004 0.000 1.049 1022 K CA 0.161 56.456 56.287 0.013 0.000 0.991 1022 K CB 0.346 32.852 32.500 0.010 0.000 0.836 1022 K HN 0.555 nan 8.250 nan 0.000 0.500 1023 E N 1.594 121.795 120.200 0.002 0.000 2.280 1023 E HA 0.182 4.531 4.350 -0.002 0.000 0.261 1023 E C -0.482 176.108 176.600 -0.017 0.000 1.088 1023 E CA -0.428 55.966 56.400 -0.009 0.000 0.915 1023 E CB 1.325 31.019 29.700 -0.011 0.000 1.141 1023 E HN 0.044 nan 8.360 nan 0.000 0.433 1024 K N -0.988 119.392 120.400 -0.033 0.000 2.512 1024 K HA 0.692 5.011 4.320 -0.002 0.000 0.263 1024 K C -0.049 176.510 176.600 -0.069 0.000 0.966 1024 K CA -0.539 55.715 56.287 -0.055 0.000 0.851 1024 K CB 1.995 34.463 32.500 -0.053 0.000 1.395 1024 K HN 0.683 nan 8.250 nan 0.000 0.440 1025 G N 1.571 110.309 108.800 -0.104 0.000 2.660 1025 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.215 1025 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.215 1025 G C 0.343 175.183 174.900 -0.099 0.000 1.345 1025 G CA 0.306 45.345 45.100 -0.102 0.000 0.877 1025 G HN 0.802 nan 8.290 nan 0.000 0.549 1026 K N 0.890 121.244 120.400 -0.077 0.000 2.127 1026 K HA -0.119 4.200 4.320 -0.002 0.000 0.212 1026 K C 0.178 176.755 176.600 -0.039 0.000 1.050 1026 K CA 3.024 59.276 56.287 -0.057 0.000 0.929 1026 K CB -1.289 31.186 32.500 -0.042 0.000 0.715 1026 K HN 0.335 nan 8.250 nan 0.000 0.457 1027 P HA -0.157 nan 4.420 nan 0.000 0.217 1027 P C 0.212 177.511 177.300 -0.002 0.000 1.148 1027 P CA 0.942 64.031 63.100 -0.020 0.000 0.828 1027 P CB 0.022 31.709 31.700 -0.022 0.000 0.783 1031 N N 2.924 121.633 118.700 0.014 0.000 2.426 1031 N HA 0.243 4.983 4.740 -0.002 0.000 0.257 1031 N C -1.623 173.902 175.510 0.024 0.000 1.002 1031 N CA -2.061 50.991 53.050 0.004 0.000 0.942 1031 N CB 1.664 40.153 38.487 0.004 0.000 1.112 1031 N HN -0.077 nan 8.380 nan 0.000 0.499 1032 P HA -0.160 nan 4.420 nan 0.000 0.219 1032 P C 1.088 178.420 177.300 0.053 0.000 1.146 1032 P CA 0.835 63.943 63.100 0.013 0.000 0.808 1032 P CB 0.568 32.248 31.700 -0.034 0.000 0.779 1033 R N 0.555 121.083 120.500 0.047 0.000 2.105 1033 R HA -0.096 4.243 4.340 -0.002 0.000 0.239 1033 R C 2.225 178.595 176.300 0.117 0.000 1.135 1033 R CA 2.458 58.607 56.100 0.081 0.000 0.967 1033 R CB -1.222 29.105 30.300 0.045 0.000 0.861 1033 R HN 0.331 nan 8.270 nan 0.000 0.442 1034 T N -3.713 110.903 114.554 0.103 0.000 2.990 1034 T HA 0.139 4.488 4.350 -0.002 0.000 0.249 1034 T C 0.578 175.346 174.700 0.114 0.000 1.039 1034 T CA -0.286 61.890 62.100 0.127 0.000 1.036 1034 T CB -0.286 68.671 68.868 0.148 0.000 0.994 1034 T HN 0.048 nan 8.240 nan 0.000 0.489 1035 N N 2.100 120.869 118.700 0.115 0.000 2.411 1035 N HA 0.065 4.804 4.740 -0.002 0.000 0.261 1035 N C 0.466 175.878 175.510 -0.164 0.000 1.248 1035 N CA 0.391 53.496 53.050 0.090 0.000 0.885 1035 N CB 0.556 39.104 38.487 0.102 0.000 1.062 1035 N HN 0.377 nan 8.380 nan 0.000 0.471 1036 K N 2.113 122.119 120.400 -0.657 0.000 2.402 1036 K HA 0.232 4.551 4.320 -0.002 0.000 0.204 1036 K C 0.762 177.061 176.600 -0.503 0.000 1.056 1036 K CA 0.082 55.830 56.287 -0.899 0.000 1.069 1036 K CB 0.341 31.786 32.500 -1.757 0.000 0.888 1036 K HN 0.791 nan 8.250 nan 0.000 0.546 1040 F N 3.320 123.153 119.950 -0.195 0.000 2.541 1040 F HA 0.310 4.837 4.527 -0.001 0.000 0.378 1040 F C 1.756 177.501 175.800 -0.093 0.000 1.068 1040 F CA 1.269 59.179 58.000 -0.150 0.000 1.199 1040 F CB 0.836 39.771 39.000 -0.108 0.000 1.091 1040 F HN 0.303 nan 8.300 nan 0.000 0.555 1041 T N 1.670 116.290 114.554 0.110 0.000 2.802 1041 T HA 0.012 4.361 4.350 -0.002 0.000 0.305 1041 T C 1.121 175.857 174.700 0.059 0.000 1.053 1041 T CA -0.857 61.279 62.100 0.060 0.000 1.058 1041 T CB 0.853 69.745 68.868 0.040 0.000 0.988 1041 T HN 0.588 nan 8.240 nan 0.000 0.539 1042 L N 0.738 121.981 121.223 0.033 0.000 2.042 1042 L HA -0.078 4.261 4.340 -0.002 0.000 0.210 1042 L C 2.939 179.813 176.870 0.007 0.000 1.076 1042 L CA 2.043 56.893 54.840 0.017 0.000 0.749 1042 L CB -1.011 41.054 42.059 0.010 0.000 0.893 1042 L HN 0.952 nan 8.230 nan 0.000 0.432 1043 Q N -0.916 118.891 119.800 0.012 0.000 2.224 1043 Q HA -0.208 4.131 4.340 -0.002 0.000 0.203 1043 Q C 2.000 178.001 176.000 0.002 0.000 0.970 1043 Q CA 1.611 57.417 55.803 0.005 0.000 0.865 1043 Q CB 0.017 28.761 28.738 0.010 0.000 0.922 1043 Q HN 0.659 nan 8.270 nan 0.000 0.445 1044 E N -0.199 120.013 120.200 0.021 0.000 2.072 1044 E HA -0.149 4.200 4.350 -0.002 0.000 0.190 1044 E C 2.061 178.627 176.600 -0.057 0.000 0.982 1044 E CA 0.729 57.142 56.400 0.022 0.000 0.803 1044 E CB 0.089 29.864 29.700 0.126 0.000 0.755 1044 E HN 0.307 nan 8.360 nan 0.000 0.453 1045 R N 0.994 121.454 120.500 -0.066 0.000 2.092 1045 R HA -0.059 4.280 4.340 -0.002 0.000 0.231 1045 R C 1.285 177.523 176.300 -0.103 0.000 1.119 1045 R CA 0.745 56.764 56.100 -0.135 0.000 0.970 1045 R CB -0.181 30.067 30.300 -0.088 0.000 0.864 1045 R HN 0.243 nan 8.270 nan 0.000 0.440 1049 G N 1.473 110.204 108.800 -0.114 0.000 2.165 1049 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.226 1049 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.226 1049 G C 0.345 175.166 174.900 -0.131 0.000 1.035 1049 G CA 0.437 45.474 45.100 -0.104 0.000 0.744 1049 G HN 0.271 nan 8.290 nan 0.000 0.501 1050 L N -0.857 120.264 121.223 -0.170 0.000 2.638 1050 L HA 0.278 4.617 4.340 -0.002 0.000 0.232 1050 L C 1.287 178.081 176.870 -0.127 0.000 1.099 1050 L CA -0.399 54.325 54.840 -0.194 0.000 0.883 1050 L CB -0.045 41.799 42.059 -0.358 0.000 1.136 1050 L HN 0.150 nan 8.230 nan 0.000 0.492 1051 Q N 1.534 121.275 119.800 -0.097 0.000 2.269 1051 Q HA 0.047 4.386 4.340 -0.002 0.000 0.300 1051 Q C 1.279 177.248 176.000 -0.051 0.000 1.070 1051 Q CA 1.452 57.217 55.803 -0.063 0.000 0.957 1051 Q CB 0.658 29.366 28.738 -0.050 0.000 1.131 1051 Q HN 0.491 nan 8.270 nan 0.000 0.377 1052 G N 2.736 111.514 108.800 -0.038 0.000 2.253 1052 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.251 1052 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.251 1052 G C 0.674 175.556 174.900 -0.029 0.000 0.998 1052 G CA 0.389 45.472 45.100 -0.029 0.000 0.621 1052 G HN 0.559 nan 8.290 nan 0.000 0.524 1053 L N -0.037 121.160 121.223 -0.042 0.000 2.558 1053 L HA 0.476 4.815 4.340 -0.002 0.000 0.225 1053 L C 0.985 177.841 176.870 -0.022 0.000 1.128 1053 L CA 0.338 55.155 54.840 -0.038 0.000 0.868 1053 L CB 0.061 42.084 42.059 -0.060 0.000 1.006 1053 L HN 0.199 nan 8.230 nan 0.000 0.454 1054 L N -1.119 120.093 121.223 -0.017 0.000 2.354 1054 L HA 0.501 4.840 4.340 -0.002 0.000 0.264 1054 L C -2.293 174.583 176.870 0.011 0.000 1.008 1054 L CA -1.943 52.903 54.840 0.010 0.000 0.819 1054 L CB 1.669 43.745 42.059 0.029 0.000 1.339 1054 L HN -0.260 nan 8.230 nan 0.000 0.420 1055 P HA 0.149 nan 4.420 nan 0.000 0.269 1055 P C -2.095 175.215 177.300 0.016 0.000 1.215 1055 P CA -0.905 62.205 63.100 0.016 0.000 0.780 1055 P CB 0.136 31.849 31.700 0.021 0.000 0.898 1056 P HA -0.167 nan 4.420 nan 0.000 0.217 1056 P C 0.124 177.433 177.300 0.015 0.000 1.148 1056 P CA 1.338 64.444 63.100 0.010 0.000 0.828 1056 P CB 0.015 31.720 31.700 0.007 0.000 0.783 1057 K N 1.010 121.421 120.400 0.019 0.000 2.451 1057 K HA 0.044 4.363 4.320 -0.002 0.000 0.280 1057 K C -0.285 176.332 176.600 0.028 0.000 1.020 1057 K CA 0.466 56.767 56.287 0.022 0.000 1.008 1057 K CB -0.298 32.216 32.500 0.024 0.000 0.917 1057 K HN -0.100 nan 8.250 nan 0.000 0.478 1058 I N 4.698 125.284 120.570 0.026 0.000 2.312 1058 I HA 0.255 4.424 4.170 -0.002 0.000 0.290 1058 I C 0.269 176.402 176.117 0.026 0.000 1.008 1058 I CA -0.297 61.019 61.300 0.027 0.000 1.226 1058 I CB 0.972 38.986 38.000 0.024 0.000 1.371 1058 I HN 0.750 nan 8.210 nan 0.000 0.468 1059 E N 3.636 123.852 120.200 0.026 0.000 2.243 1059 E HA 0.558 4.907 4.350 -0.002 0.000 0.260 1059 E C -0.160 176.466 176.600 0.043 0.000 0.985 1059 E CA -0.706 55.716 56.400 0.036 0.000 0.858 1059 E CB 2.019 31.745 29.700 0.044 0.000 1.210 1059 E HN 0.631 nan 8.360 nan 0.000 0.411 1060 T N -2.228 112.363 114.554 0.062 0.000 2.944 1060 T HA 0.124 4.473 4.350 -0.002 0.000 0.284 1060 T C 0.869 175.644 174.700 0.125 0.000 1.010 1060 T CA -0.728 61.423 62.100 0.086 0.000 1.025 1060 T CB 1.683 70.586 68.868 0.059 0.000 1.079 1060 T HN 0.494 nan 8.240 nan 0.000 0.516 1061 Q N -0.219 119.679 119.800 0.163 0.000 2.224 1061 Q HA -0.157 4.182 4.340 -0.002 0.000 0.203 1061 Q C 1.117 177.142 176.000 0.042 0.000 0.970 1061 Q CA 1.498 57.369 55.803 0.113 0.000 0.865 1061 Q CB -0.137 28.531 28.738 -0.118 0.000 0.922 1061 Q HN 0.699 nan 8.270 nan 0.000 0.445 1062 D N 0.365 120.787 120.400 0.037 0.000 2.123 1062 D HA -0.157 4.482 4.640 -0.002 0.000 0.196 1062 D C 1.743 178.081 176.300 0.063 0.000 0.992 1062 D CA 1.068 55.090 54.000 0.037 0.000 0.833 1062 D CB -0.104 40.712 40.800 0.027 0.000 0.954 1062 D HN 0.361 nan 8.370 nan 0.000 0.455 1063 I N 0.549 121.159 120.570 0.066 0.000 2.315 1063 I HA -0.240 3.929 4.170 -0.002 0.000 0.248 1063 I C 2.339 178.511 176.117 0.091 0.000 1.117 1063 I CA 0.876 62.220 61.300 0.073 0.000 1.404 1063 I CB -0.233 37.804 38.000 0.062 0.000 1.071 1063 I HN -0.016 nan 8.210 nan 0.000 0.419 1064 Q N 0.796 120.652 119.800 0.093 0.000 2.124 1064 Q HA -0.180 4.159 4.340 -0.002 0.000 0.202 1064 Q C 2.502 178.574 176.000 0.119 0.000 0.977 1064 Q CA 1.707 57.571 55.803 0.102 0.000 0.850 1064 Q CB -0.289 28.510 28.738 0.101 0.000 0.901 1064 Q HN 0.571 nan 8.270 nan 0.000 0.429 1065 A N 1.073 123.958 122.820 0.109 0.000 1.883 1065 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 1065 A C 2.085 179.851 177.584 0.303 0.000 1.186 1065 A CA 1.231 53.367 52.037 0.165 0.000 0.624 1065 A CB -0.799 18.293 19.000 0.152 0.000 0.822 1065 A HN 0.296 nan 8.150 nan 0.000 0.444 1066 L N -1.054 120.307 121.223 0.230 0.000 1.989 1066 L HA -0.242 4.097 4.340 -0.002 0.000 0.211 1066 L C 2.832 179.814 176.870 0.187 0.000 1.071 1066 L CA 1.994 56.962 54.840 0.213 0.000 0.749 1066 L CB -0.541 41.591 42.059 0.122 0.000 0.890 1066 L HN 0.532 nan 8.230 nan 0.000 0.431 1067 R N -0.117 120.476 120.500 0.155 0.000 2.113 1067 R HA -0.280 4.060 4.340 -0.002 0.000 0.244 1067 R C 2.413 178.811 176.300 0.162 0.000 1.142 1067 R CA 2.261 58.442 56.100 0.135 0.000 0.953 1067 R CB -0.564 29.815 30.300 0.132 0.000 0.860 1067 R HN 0.238 nan 8.270 nan 0.000 0.438 1068 F N 1.076 121.061 119.950 0.058 0.000 2.026 1068 F HA -0.242 4.284 4.527 -0.002 0.000 0.296 1068 F C 1.954 177.773 175.800 0.032 0.000 1.133 1068 F CA 2.394 60.412 58.000 0.031 0.000 1.188 1068 F CB -0.779 38.102 39.000 -0.198 0.000 0.968 1068 F HN 0.174 nan 8.300 nan 0.000 0.476 1069 H N -0.923 118.090 119.070 -0.096 0.000 2.457 1069 H HA -0.113 4.442 4.556 -0.001 0.000 0.297 1069 H C 2.255 177.485 175.328 -0.163 0.000 1.092 1069 H CA 1.579 57.505 56.048 -0.203 0.000 1.309 1069 H CB -0.182 29.593 29.762 0.022 0.000 1.382 1069 H HN 0.123 nan 8.280 nan 0.000 0.535 1070 R N 0.438 120.951 120.500 0.021 0.000 2.075 1070 R HA -0.059 4.280 4.340 -0.002 0.000 0.232 1070 R C 1.839 178.095 176.300 -0.074 0.000 1.126 1070 R CA 1.218 57.314 56.100 -0.007 0.000 0.963 1070 R CB 0.014 30.324 30.300 0.017 0.000 0.858 1070 R HN 0.359 nan 8.270 nan 0.000 0.435 1071 N N -0.054 118.573 118.700 -0.122 0.000 2.216 1071 N HA -0.130 4.610 4.740 -0.002 0.000 0.183 1071 N C 1.583 176.937 175.510 -0.260 0.000 1.017 1071 N CA 0.780 53.708 53.050 -0.203 0.000 0.861 1071 N CB -0.209 38.114 38.487 -0.274 0.000 0.986 1071 N HN 0.107 nan 8.380 nan 0.000 0.428 1072 L N 2.234 123.276 121.223 -0.302 0.000 2.017 1072 L HA -0.090 4.250 4.340 -0.002 0.000 0.208 1072 L C 1.960 178.751 176.870 -0.132 0.000 1.073 1072 L CA 1.686 56.377 54.840 -0.250 0.000 0.745 1072 L CB -0.338 41.443 42.059 -0.462 0.000 0.894 1072 L HN -0.025 nan 8.230 nan 0.000 0.432 1073 K N -0.136 120.202 120.400 -0.104 0.000 2.281 1073 K HA -0.140 4.179 4.320 -0.002 0.000 0.203 1073 K C 0.768 177.338 176.600 -0.051 0.000 1.046 1073 K CA 0.857 57.115 56.287 -0.050 0.000 0.938 1073 K CB -0.087 32.396 32.500 -0.027 0.000 0.737 1073 K HN 0.435 nan 8.250 nan 0.000 0.458 1077 S N 2.364 118.075 115.700 0.018 0.000 2.578 1077 S HA 0.674 5.143 4.470 -0.002 0.000 0.283 1077 S C -2.126 172.504 174.600 0.050 0.000 1.195 1077 S CA -1.165 57.052 58.200 0.028 0.000 1.050 1077 S CB 1.740 64.953 63.200 0.023 0.000 1.012 1077 S HN 0.064 nan 8.310 nan 0.000 0.511 1078 P HA -0.079 nan 4.420 nan 0.000 0.215 1078 P C 1.581 178.949 177.300 0.112 0.000 1.153 1078 P CA 0.428 63.573 63.100 0.075 0.000 0.853 1078 P CB 0.021 31.750 31.700 0.048 0.000 0.788 1079 L N 0.280 121.550 121.223 0.079 0.000 2.046 1079 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 1079 L C 2.257 179.232 176.870 0.175 0.000 1.077 1079 L CA 1.908 56.809 54.840 0.102 0.000 0.747 1079 L CB -1.316 40.763 42.059 0.033 0.000 0.896 1079 L HN -0.030 nan 8.230 nan 0.000 0.432 1080 E N -0.532 119.738 120.200 0.116 0.000 2.077 1080 E HA -0.269 4.080 4.350 -0.002 0.000 0.193 1080 E C 2.047 178.743 176.600 0.160 0.000 0.989 1080 E CA 1.385 57.849 56.400 0.107 0.000 0.800 1080 E CB -0.017 29.713 29.700 0.051 0.000 0.746 1080 E HN 0.525 nan 8.360 nan 0.000 0.452 1081 K N -0.518 119.985 120.400 0.172 0.000 2.211 1081 K HA -0.169 4.150 4.320 -0.002 0.000 0.203 1081 K C 2.045 178.803 176.600 0.262 0.000 1.050 1081 K CA 1.138 57.559 56.287 0.223 0.000 0.945 1081 K CB -0.248 32.359 32.500 0.178 0.000 0.732 1081 K HN 0.252 nan 8.250 nan 0.000 0.451 1082 Y N 1.827 122.203 120.300 0.128 0.000 2.133 1082 Y HA -0.174 4.375 4.550 -0.001 0.000 0.287 1082 Y C 1.860 177.828 175.900 0.115 0.000 1.134 1082 Y CA 1.297 59.467 58.100 0.117 0.000 1.133 1082 Y CB -0.174 38.341 38.460 0.091 0.000 0.987 1082 Y HN -0.116 nan 8.280 nan 0.000 0.502 1083 I N -0.752 119.930 120.570 0.186 0.000 2.163 1083 I HA -0.361 3.808 4.170 -0.002 0.000 0.243 1083 I C 2.241 178.387 176.117 0.048 0.000 1.085 1083 I CA 1.878 63.217 61.300 0.066 0.000 1.347 1083 I CB -0.766 37.309 38.000 0.125 0.000 1.044 1083 I HN 0.307 nan 8.210 nan 0.000 0.408 1084 Y N 2.472 122.772 120.300 0.000 0.000 2.049 1084 Y HA -0.192 4.357 4.550 -0.002 0.000 0.277 1084 Y C 1.590 177.526 175.900 0.059 0.000 1.143 1084 Y CA 0.764 58.883 58.100 0.031 0.000 1.115 1084 Y CB -0.777 37.719 38.460 0.061 0.000 0.975 1084 Y HN 0.159 nan 8.280 nan 0.000 0.487 1088 I N 1.489 121.928 120.570 -0.217 0.000 2.361 1088 I HA -0.158 4.011 4.170 -0.002 0.000 0.251 1088 I C 2.618 178.578 176.117 -0.262 0.000 1.133 1088 I CA 1.648 62.838 61.300 -0.183 0.000 1.413 1088 I CB -0.033 37.863 38.000 -0.172 0.000 1.073 1088 I HN 0.289 nan 8.210 nan 0.000 0.424 1089 Q N 1.129 120.569 119.800 -0.601 0.000 2.226 1089 Q HA -0.189 4.151 4.340 -0.002 0.000 0.204 1089 Q C 1.253 176.997 176.000 -0.427 0.000 0.975 1089 Q CA 1.167 56.423 55.803 -0.912 0.000 0.866 1089 Q CB 0.235 27.993 28.738 -1.633 0.000 0.915 1089 Q HN 0.442 nan 8.270 nan 0.000 0.440 1090 E N -0.297 119.713 120.200 -0.315 0.000 2.444 1090 E HA 0.067 4.416 4.350 -0.002 0.000 0.191 1090 E C 0.832 177.357 176.600 -0.124 0.000 1.041 1090 E CA 0.099 56.382 56.400 -0.196 0.000 0.883 1090 E CB 0.502 30.088 29.700 -0.190 0.000 1.024 1090 E HN 0.361 nan 8.360 nan 0.000 0.470 1091 R N -0.185 120.251 120.500 -0.106 0.000 2.428 1091 R HA 0.150 4.489 4.340 -0.002 0.000 0.193 1091 R C 0.491 176.784 176.300 -0.011 0.000 0.852 1091 R CA 0.027 56.098 56.100 -0.047 0.000 1.055 1091 R CB 0.552 30.831 30.300 -0.035 0.000 1.343 1091 R HN -0.130 nan 8.270 nan 0.000 0.655 1092 N N 1.324 120.018 118.700 -0.010 0.000 2.685 1092 N HA 0.012 4.751 4.740 -0.002 0.000 0.252 1092 N C -0.110 175.453 175.510 0.087 0.000 1.261 1092 N CA 0.060 53.141 53.050 0.051 0.000 0.768 1092 N CB 1.310 39.836 38.487 0.064 0.000 1.304 1092 N HN 0.110 nan 8.380 nan 0.000 0.536 1093 E N 1.738 122.006 120.200 0.114 0.000 2.065 1093 E HA -0.271 4.078 4.350 -0.002 0.000 0.201 1093 E C 0.856 177.692 176.600 0.394 0.000 1.016 1093 E CA 1.616 58.146 56.400 0.217 0.000 0.818 1093 E CB 0.338 30.174 29.700 0.227 0.000 0.749 1093 E HN 0.271 nan 8.360 nan 0.000 0.453 1094 K N 0.241 120.857 120.400 0.361 0.000 2.074 1094 K HA -0.179 4.140 4.320 -0.002 0.000 0.209 1094 K C 2.007 178.651 176.600 0.073 0.000 1.048 1094 K CA 1.145 57.592 56.287 0.267 0.000 0.926 1094 K CB -0.543 32.017 32.500 0.099 0.000 0.713 1094 K HN 0.155 nan 8.250 nan 0.000 0.444 1095 L N -0.080 121.168 121.223 0.043 0.000 2.056 1095 L HA -0.063 4.276 4.340 -0.002 0.000 0.207 1095 L C 1.944 178.742 176.870 -0.120 0.000 1.078 1095 L CA 1.476 56.277 54.840 -0.065 0.000 0.749 1095 L CB -0.687 41.364 42.059 -0.014 0.000 0.901 1095 L HN 0.216 nan 8.230 nan 0.000 0.433 1096 F N -0.287 119.519 119.950 -0.240 0.000 2.043 1096 F HA -0.332 4.194 4.527 -0.001 0.000 0.297 1096 F C 2.160 177.696 175.800 -0.441 0.000 1.121 1096 F CA 2.075 59.819 58.000 -0.428 0.000 1.199 1096 F CB -0.870 37.843 39.000 -0.479 0.000 0.968 1096 F HN 0.157 nan 8.300 nan 0.000 0.478 1097 Y N -0.206 120.054 120.300 -0.067 0.000 2.352 1097 Y HA -0.186 4.363 4.550 -0.002 0.000 0.292 1097 Y C 2.540 178.332 175.900 -0.180 0.000 1.136 1097 Y CA 1.310 59.332 58.100 -0.129 0.000 1.227 1097 Y CB -0.508 38.110 38.460 0.264 0.000 0.991 1097 Y HN 0.058 nan 8.280 nan 0.000 0.545 1098 R N 0.716 121.163 120.500 -0.087 0.000 2.092 1098 R HA -0.116 4.224 4.340 -0.002 0.000 0.231 1098 R C 1.717 177.906 176.300 -0.184 0.000 1.119 1098 R CA 1.451 57.466 56.100 -0.141 0.000 0.970 1098 R CB -0.961 29.225 30.300 -0.190 0.000 0.864 1098 R HN 0.243 nan 8.270 nan 0.000 0.440 1099 I N 0.313 120.679 120.570 -0.341 0.000 2.179 1099 I HA -0.186 3.983 4.170 -0.002 0.000 0.242 1099 I C 1.729 177.649 176.117 -0.329 0.000 1.088 1099 I CA 1.065 62.087 61.300 -0.463 0.000 1.357 1099 I CB -0.438 36.938 38.000 -1.040 0.000 1.051 1099 I HN 0.141 nan 8.210 nan 0.000 0.409 1100 L N -0.336 120.632 121.223 -0.425 0.000 1.994 1100 L HA -0.232 4.107 4.340 -0.002 0.000 0.208 1100 L C 2.524 179.318 176.870 -0.127 0.000 1.071 1100 L CA 1.758 56.420 54.840 -0.297 0.000 0.745 1100 L CB -1.225 40.605 42.059 -0.382 0.000 0.892 1100 L HN 0.343 nan 8.230 nan 0.000 0.431 1101 Q N -0.488 119.254 119.800 -0.097 0.000 2.197 1101 Q HA -0.276 4.063 4.340 -0.002 0.000 0.207 1101 Q C 1.648 177.630 176.000 -0.030 0.000 0.984 1101 Q CA 1.830 57.606 55.803 -0.046 0.000 0.869 1101 Q CB -0.033 28.682 28.738 -0.038 0.000 0.906 1101 Q HN 0.474 nan 8.270 nan 0.000 0.426 1102 D N 0.435 120.829 120.400 -0.011 0.000 2.104 1102 D HA -0.110 4.529 4.640 -0.002 0.000 0.194 1102 D C 0.167 176.489 176.300 0.035 0.000 0.994 1102 D CA 1.333 55.358 54.000 0.041 0.000 0.830 1102 D CB 0.127 41.035 40.800 0.181 0.000 0.959 1102 D HN 0.190 nan 8.370 nan 0.000 0.452 1103 D N -1.063 119.370 120.400 0.054 0.000 2.934 1103 D HA 0.014 4.654 4.640 -0.002 0.000 0.249 1103 D C 0.763 177.080 176.300 0.029 0.000 1.293 1103 D CA -0.351 53.675 54.000 0.043 0.000 0.812 1103 D CB -0.103 40.740 40.800 0.073 0.000 1.439 1103 D HN -0.098 nan 8.370 nan 0.000 0.555 1104 I N 1.903 122.470 120.570 -0.006 0.000 2.208 1104 I HA -0.194 3.976 4.170 -0.002 0.000 0.245 1104 I C 2.057 178.168 176.117 -0.009 0.000 1.097 1104 I CA 1.860 63.143 61.300 -0.027 0.000 1.363 1104 I CB 0.049 38.016 38.000 -0.054 0.000 1.051 1104 I HN 0.394 nan 8.210 nan 0.000 0.413 1105 E N 0.346 120.547 120.200 0.001 0.000 2.049 1105 E HA -0.272 4.077 4.350 -0.002 0.000 0.198 1105 E C 2.183 178.805 176.600 0.038 0.000 1.007 1105 E CA 2.484 58.895 56.400 0.017 0.000 0.809 1105 E CB -0.383 29.333 29.700 0.026 0.000 0.749 1105 E HN 0.661 nan 8.360 nan 0.000 0.450 1106 S N -0.379 115.350 115.700 0.049 0.000 2.461 1106 S HA 0.069 4.538 4.470 -0.002 0.000 0.228 1106 S C 1.091 175.738 174.600 0.077 0.000 1.005 1106 S CA 0.043 58.281 58.200 0.064 0.000 0.942 1106 S CB -0.204 63.039 63.200 0.071 0.000 0.776 1106 S HN 0.155 nan 8.310 nan 0.000 0.514 1110 I N 0.034 120.687 120.570 0.137 0.000 2.729 1110 I HA -0.038 4.131 4.170 -0.002 0.000 0.256 1110 I C 2.010 178.302 176.117 0.292 0.000 1.115 1110 I CA 0.802 62.213 61.300 0.186 0.000 1.446 1110 I CB 0.052 38.162 38.000 0.183 0.000 1.176 1110 I HN -0.149 nan 8.210 nan 0.000 0.446 1111 V N -2.041 118.034 119.914 0.269 0.000 2.788 1111 V HA -0.043 4.076 4.120 -0.002 0.000 0.251 1111 V C 1.248 177.569 176.094 0.378 0.000 1.068 1111 V CA 0.779 63.280 62.300 0.335 0.000 1.090 1111 V CB -0.789 31.155 31.823 0.203 0.000 0.710 1111 V HN 0.279 nan 8.190 nan 0.000 0.467 1112 Y N 1.300 121.678 120.300 0.129 0.000 2.862 1112 Y HA 0.605 5.154 4.550 -0.002 0.000 0.347 1112 Y C 1.064 176.995 175.900 0.052 0.000 1.234 1112 Y CA -0.767 57.389 58.100 0.094 0.000 1.204 1112 Y CB 0.911 39.413 38.460 0.071 0.000 1.464 1112 Y HN 0.085 nan 8.280 nan 0.000 0.710 1113 T N 3.592 117.831 114.554 -0.524 0.000 2.918 1113 T HA 0.204 4.553 4.350 -0.002 0.000 0.302 1113 T C -1.843 172.747 174.700 -0.184 0.000 1.045 1113 T CA -1.322 60.535 62.100 -0.405 0.000 1.114 1113 T CB 0.777 69.290 68.868 -0.593 0.000 0.965 1113 T HN 0.521 nan 8.240 nan 0.000 0.540 1114 P HA 0.095 nan 4.420 nan 0.000 0.239 1114 P C 1.268 178.499 177.300 -0.114 0.000 1.188 1114 P CA 0.375 63.389 63.100 -0.143 0.000 0.794 1114 P CB 0.051 31.674 31.700 -0.127 0.000 0.937 1115 T N 0.461 114.970 114.554 -0.075 0.000 2.788 1115 T HA -0.114 4.236 4.350 -0.002 0.000 0.268 1115 T C 1.874 176.463 174.700 -0.185 0.000 1.044 1115 T CA 1.083 63.130 62.100 -0.089 0.000 1.139 1115 T CB -1.128 67.737 68.868 -0.006 0.000 0.867 1115 T HN -0.083 nan 8.240 nan 0.000 0.454 1116 V N 1.706 121.545 119.914 -0.125 0.000 2.380 1116 V HA -0.150 3.969 4.120 -0.002 0.000 0.251 1116 V C 2.500 178.482 176.094 -0.187 0.000 1.063 1116 V CA 2.363 64.575 62.300 -0.147 0.000 1.055 1116 V CB -1.089 30.737 31.823 0.005 0.000 0.657 1116 V HN 0.594 nan 8.190 nan 0.000 0.455 1117 G N -0.513 108.193 108.800 -0.157 0.000 2.402 1117 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.216 1117 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.216 1117 G C 1.488 176.314 174.900 -0.123 0.000 1.162 1117 G CA 0.950 45.972 45.100 -0.130 0.000 0.777 1117 G HN 0.490 nan 8.290 nan 0.000 0.539 1118 L N 1.613 122.752 121.223 -0.141 0.000 2.046 1118 L HA 0.116 4.455 4.340 -0.002 0.000 0.208 1118 L C 3.019 179.792 176.870 -0.162 0.000 1.077 1118 L CA 2.072 56.835 54.840 -0.128 0.000 0.747 1118 L CB -0.998 40.988 42.059 -0.121 0.000 0.896 1118 L HN 0.249 nan 8.230 nan 0.000 0.432 1119 A N -1.267 121.376 122.820 -0.295 0.000 1.877 1119 A HA -0.256 4.063 4.320 -0.002 0.000 0.216 1119 A C 2.449 179.998 177.584 -0.058 0.000 1.186 1119 A CA 1.922 53.767 52.037 -0.321 0.000 0.620 1119 A CB -1.486 16.979 19.000 -0.893 0.000 0.822 1119 A HN 0.613 nan 8.150 nan 0.000 0.443 1120 C N 0.176 119.414 119.300 -0.105 0.000 2.398 1120 C HA -0.130 4.329 4.460 -0.002 0.000 0.276 1120 C C 3.310 178.323 174.990 0.038 0.000 1.222 1120 C CA 1.608 60.569 59.018 -0.095 0.000 1.746 1120 C CB -1.380 26.283 27.740 -0.128 0.000 2.039 1120 C HN 0.796 nan 8.230 nan 0.000 0.470 1121 S N -0.486 115.238 115.700 0.039 0.000 2.500 1121 S HA -0.181 4.288 4.470 -0.002 0.000 0.239 1121 S C 1.331 176.005 174.600 0.123 0.000 0.989 1121 S CA 1.247 59.522 58.200 0.126 0.000 0.951 1121 S CB -0.430 62.799 63.200 0.048 0.000 0.759 1121 S HN 0.827 nan 8.310 nan 0.000 0.523 1122 Q N -1.388 118.403 119.800 -0.014 0.000 2.084 1122 Q HA 0.290 4.629 4.340 -0.002 0.000 0.230 1122 Q C 0.136 176.054 176.000 -0.137 0.000 0.806 1122 Q CA -0.435 55.325 55.803 -0.072 0.000 1.083 1122 Q CB 0.166 28.833 28.738 -0.118 0.000 1.208 1122 Q HN 0.485 nan 8.270 nan 0.000 0.462 1123 Y N -0.174 119.777 120.300 -0.580 0.000 2.193 1123 Y HA -0.175 4.374 4.550 -0.001 0.000 0.285 1123 Y C 2.030 177.679 175.900 -0.419 0.000 1.166 1123 Y CA 2.273 60.081 58.100 -0.488 0.000 1.181 1123 Y CB -0.152 38.035 38.460 -0.453 0.000 0.976 1123 Y HN 0.326 nan 8.280 nan 0.000 0.520 1124 G N -2.772 105.637 108.800 -0.651 0.000 2.534 1124 G HA2 -0.188 3.772 3.960 -0.002 0.000 0.217 1124 G HA3 -0.188 3.772 3.960 -0.002 0.000 0.217 1124 G C 1.029 175.842 174.900 -0.146 0.000 1.128 1124 G CA 0.719 45.750 45.100 -0.115 0.000 0.784 1124 G HN 0.466 nan 8.290 nan 0.000 0.542 1125 H N -0.147 118.806 119.070 -0.195 0.000 2.520 1125 H HA 0.177 4.732 4.556 -0.001 0.000 0.279 1125 H C 2.273 177.481 175.328 -0.199 0.000 0.990 1125 H CA 0.817 56.696 56.048 -0.281 0.000 1.288 1125 H CB 0.117 29.775 29.762 -0.172 0.000 1.446 1125 H HN 0.518 nan 8.280 nan 0.000 0.538 1126 I N -2.845 117.723 120.570 -0.005 0.000 3.928 1126 I HA 0.177 4.346 4.170 -0.002 0.000 0.335 1126 I C -0.042 176.036 176.117 -0.064 0.000 1.325 1126 I CA -0.421 60.866 61.300 -0.021 0.000 1.107 1126 I CB -0.112 37.902 38.000 0.025 0.000 1.014 1126 I HN -0.125 nan 8.210 nan 0.000 0.400 1127 F N 3.100 122.912 119.950 -0.230 0.000 2.608 1127 F HA 0.177 4.703 4.527 -0.002 0.000 0.380 1127 F C 1.103 176.806 175.800 -0.162 0.000 1.083 1127 F CA 0.573 58.423 58.000 -0.249 0.000 1.266 1127 F CB 0.506 39.368 39.000 -0.231 0.000 1.076 1127 F HN 0.040 nan 8.300 nan 0.000 0.574 1128 R N 3.409 123.309 120.500 -1.000 0.000 2.610 1128 R HA 0.327 4.666 4.340 -0.002 0.000 0.171 1128 R C -0.216 175.464 176.300 -1.033 0.000 0.892 1128 R CA -0.441 55.214 56.100 -0.743 0.000 1.086 1128 R CB 0.498 30.569 30.300 -0.382 0.000 1.320 1128 R HN 0.484 nan 8.270 nan 0.000 0.582 1129 R N 1.396 121.313 120.500 -0.971 0.000 2.744 1129 R HA 0.409 4.748 4.340 -0.002 0.000 0.279 1129 R C -2.637 173.397 176.300 -0.442 0.000 0.977 1129 R CA -1.813 53.920 56.100 -0.612 0.000 0.906 1129 R CB 2.292 32.419 30.300 -0.289 0.000 1.197 1129 R HN 0.037 nan 8.270 nan 0.000 0.463 1130 P HA 0.289 nan 4.420 nan 0.000 0.278 1130 P C -1.328 176.128 177.300 0.261 0.000 1.258 1130 P CA -0.518 62.803 63.100 0.369 0.000 0.811 1130 P CB 1.227 33.228 31.700 0.501 0.000 1.063 1131 K N 0.148 120.753 120.400 0.343 0.000 2.464 1131 K HA 0.610 4.929 4.320 -0.002 0.000 0.253 1131 K C -0.183 176.502 176.600 0.142 0.000 0.933 1131 K CA -0.495 55.919 56.287 0.212 0.000 0.801 1131 K CB 1.963 34.535 32.500 0.121 0.000 1.271 1131 K HN 0.892 nan 8.250 nan 0.000 0.430 1132 G N 1.299 110.221 108.800 0.204 0.000 2.877 1132 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.279 1132 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.279 1132 G C -0.919 173.879 174.900 -0.171 0.000 1.431 1132 G CA -0.908 44.111 45.100 -0.134 0.000 0.883 1132 G HN 0.439 nan 8.290 nan 0.000 0.547 1133 L N -0.248 120.704 121.223 -0.451 0.000 2.312 1133 L HA 0.632 4.971 4.340 -0.002 0.000 0.281 1133 L C -0.234 176.416 176.870 -0.366 0.000 1.070 1133 L CA -0.579 54.133 54.840 -0.212 0.000 0.805 1133 L CB 0.903 42.835 42.059 -0.212 0.000 1.174 1133 L HN 0.408 nan 8.230 nan 0.000 0.434 1134 F N 4.358 124.308 119.950 0.001 0.000 2.426 1134 F HA 0.478 5.004 4.527 -0.002 0.000 0.348 1134 F C 0.146 175.925 175.800 -0.035 0.000 1.124 1134 F CA -0.441 57.536 58.000 -0.037 0.000 1.008 1134 F CB 1.131 40.120 39.000 -0.017 0.000 1.139 1134 F HN 0.163 nan 8.300 nan 0.000 0.452 1135 I N 3.276 123.883 120.570 0.062 0.000 2.382 1135 I HA 0.319 4.489 4.170 -0.002 0.000 0.285 1135 I C -0.160 175.968 176.117 0.018 0.000 1.007 1135 I CA -0.491 60.829 61.300 0.033 0.000 1.142 1135 I CB 1.518 39.501 38.000 -0.028 0.000 1.289 1135 I HN 0.609 nan 8.210 nan 0.000 0.453 1136 S N 5.127 120.854 115.700 0.045 0.000 2.651 1136 S HA 0.370 4.839 4.470 -0.002 0.000 0.291 1136 S C 0.867 175.493 174.600 0.044 0.000 1.141 1136 S CA -0.704 57.518 58.200 0.036 0.000 1.027 1136 S CB 2.021 65.240 63.200 0.031 0.000 1.043 1136 S HN 0.595 nan 8.310 nan 0.000 0.530 1137 I N 2.295 122.896 120.570 0.052 0.000 2.315 1137 I HA -0.134 4.035 4.170 -0.002 0.000 0.251 1137 I C 2.034 178.192 176.117 0.069 0.000 1.125 1137 I CA 1.674 63.014 61.300 0.067 0.000 1.392 1137 I CB -0.695 37.359 38.000 0.090 0.000 1.065 1137 I HN 0.758 nan 8.210 nan 0.000 0.424 1138 S N 0.238 115.976 115.700 0.064 0.000 2.547 1138 S HA -0.062 4.408 4.470 -0.002 0.000 0.235 1138 S C 1.092 175.748 174.600 0.094 0.000 0.980 1138 S CA 0.919 59.161 58.200 0.070 0.000 0.941 1138 S CB -0.407 62.825 63.200 0.052 0.000 0.763 1138 S HN 0.543 nan 8.310 nan 0.000 0.532 1139 D N 1.553 122.011 120.400 0.097 0.000 2.368 1139 D HA 0.037 4.676 4.640 -0.002 0.000 0.218 1139 D C 0.485 176.873 176.300 0.147 0.000 1.112 1139 D CA -0.086 53.998 54.000 0.140 0.000 0.834 1139 D CB 0.161 41.027 40.800 0.109 0.000 0.953 1139 D HN 0.541 nan 8.370 nan 0.000 0.505 1140 R N 0.059 120.618 120.500 0.097 0.000 2.585 1140 R HA 0.258 4.597 4.340 -0.002 0.000 0.275 1140 R C 1.030 177.301 176.300 -0.050 0.000 1.018 1140 R CA 0.773 56.896 56.100 0.039 0.000 1.072 1140 R CB 0.019 30.341 30.300 0.038 0.000 0.953 1140 R HN -0.007 nan 8.270 nan 0.000 0.419 1141 G N 1.621 110.351 108.800 -0.116 0.000 2.205 1141 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.261 1141 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.261 1141 G C 0.321 174.939 174.900 -0.470 0.000 0.980 1141 G CA 0.364 45.286 45.100 -0.297 0.000 0.632 1141 G HN 0.825 nan 8.290 nan 0.000 0.533 1142 H N -0.708 118.377 119.070 0.025 0.000 2.750 1142 H HA 0.368 4.923 4.556 -0.001 0.000 0.252 1142 H C 1.925 177.270 175.328 0.028 0.000 1.176 1142 H CA 0.455 56.517 56.048 0.024 0.000 0.987 1142 H CB 0.371 30.148 29.762 0.026 0.000 1.810 1142 H HN 0.259 nan 8.280 nan 0.000 0.630 1143 V N 0.716 120.686 119.914 0.093 0.000 2.515 1143 V HA -0.223 3.896 4.120 -0.002 0.000 0.250 1143 V C 2.740 178.872 176.094 0.062 0.000 1.058 1143 V CA 1.686 64.035 62.300 0.082 0.000 1.064 1143 V CB -0.228 31.634 31.823 0.065 0.000 0.675 1143 V HN 0.186 nan 8.190 nan 0.000 0.461 1144 R N 1.811 122.332 120.500 0.035 0.000 2.096 1144 R HA -0.144 4.195 4.340 -0.002 0.000 0.235 1144 R C 2.517 178.836 176.300 0.032 0.000 1.127 1144 R CA 2.012 58.118 56.100 0.010 0.000 0.968 1144 R CB -0.907 29.389 30.300 -0.007 0.000 0.861 1144 R HN 0.658 nan 8.270 nan 0.000 0.440 1145 S N -0.737 115.001 115.700 0.063 0.000 2.423 1145 S HA -0.053 4.416 4.470 -0.002 0.000 0.231 1145 S C 2.067 176.713 174.600 0.076 0.000 1.014 1145 S CA 1.025 59.264 58.200 0.065 0.000 0.965 1145 S CB -0.365 62.882 63.200 0.078 0.000 0.785 1145 S HN 0.374 nan 8.310 nan 0.000 0.495 1146 I N 1.045 121.670 120.570 0.092 0.000 2.286 1146 I HA -0.084 4.085 4.170 -0.002 0.000 0.245 1146 I C 2.401 178.600 176.117 0.137 0.000 1.104 1146 I CA 0.813 62.182 61.300 0.115 0.000 1.397 1146 I CB -0.284 37.788 38.000 0.119 0.000 1.072 1146 I HN 0.210 nan 8.210 nan 0.000 0.417 1147 V N 0.757 120.734 119.914 0.105 0.000 2.343 1147 V HA -0.305 3.814 4.120 -0.002 0.000 0.247 1147 V C 1.870 178.046 176.094 0.136 0.000 1.051 1147 V CA 1.895 64.262 62.300 0.112 0.000 1.036 1147 V CB -0.673 31.163 31.823 0.022 0.000 0.654 1147 V HN 0.423 nan 8.190 nan 0.000 0.451 1148 D N 0.101 120.543 120.400 0.071 0.000 2.310 1148 D HA -0.113 4.526 4.640 -0.002 0.000 0.212 1148 D C 1.748 178.109 176.300 0.102 0.000 0.965 1148 D CA 0.714 54.747 54.000 0.054 0.000 0.879 1148 D CB -0.278 40.531 40.800 0.016 0.000 0.921 1148 D HN 0.397 nan 8.370 nan 0.000 0.510 1149 N N -0.161 118.622 118.700 0.138 0.000 2.494 1149 N HA -0.085 4.654 4.740 -0.002 0.000 0.182 1149 N C 0.247 175.862 175.510 0.176 0.000 1.076 1149 N CA 0.038 53.166 53.050 0.131 0.000 0.908 1149 N CB 0.009 38.573 38.487 0.129 0.000 0.967 1149 N HN 0.362 nan 8.380 nan 0.000 0.449 1150 W N 2.517 123.858 121.300 0.068 0.000 2.303 1150 W HA 0.069 4.728 4.660 -0.001 0.000 0.318 1150 W C -1.640 174.930 176.519 0.084 0.000 1.362 1150 W CA -1.374 56.020 57.345 0.083 0.000 1.234 1150 W CB 0.946 30.482 29.460 0.127 0.000 1.248 1150 W HN 0.091 nan 8.180 nan 0.000 0.546 1151 P HA -0.188 nan 4.420 nan 0.000 0.215 1151 P C -0.004 177.194 177.300 -0.170 0.000 1.153 1151 P CA 1.635 64.521 63.100 -0.357 0.000 0.853 1151 P CB 0.150 31.559 31.700 -0.485 0.000 0.788 1152 E N 0.165 120.257 120.200 -0.180 0.000 2.360 1152 E HA 0.044 4.393 4.350 -0.002 0.000 0.269 1152 E C 0.707 177.518 176.600 0.352 0.000 1.022 1152 E CA 0.131 56.612 56.400 0.135 0.000 0.887 1152 E CB 0.178 30.009 29.700 0.218 0.000 0.990 1152 E HN 0.225 nan 8.360 nan 0.000 0.426 1153 N N 1.153 120.019 118.700 0.278 0.000 2.405 1153 N HA -0.087 4.652 4.740 -0.002 0.000 0.175 1153 N C 0.232 176.014 175.510 0.454 0.000 1.051 1153 N CA 0.441 53.696 53.050 0.342 0.000 0.899 1153 N CB 0.260 38.847 38.487 0.167 0.000 1.000 1153 N HN 0.355 nan 8.380 nan 0.000 0.451 1154 H N 1.236 120.422 119.070 0.193 0.000 2.328 1154 H HA 0.347 4.902 4.556 -0.002 0.000 0.230 1154 H C -0.911 174.388 175.328 -0.047 0.000 1.481 1154 H CA -0.658 55.466 56.048 0.125 0.000 1.306 1154 H CB -0.548 29.262 29.762 0.079 0.000 1.531 1154 H HN -0.293 nan 8.280 nan 0.000 0.533 1155 V N 3.851 123.611 119.914 -0.256 0.000 2.508 1155 V HA 0.080 4.199 4.120 -0.002 0.000 0.281 1155 V C 0.997 176.858 176.094 -0.388 0.000 1.041 1155 V CA 0.084 62.023 62.300 -0.601 0.000 1.016 1155 V CB 1.220 32.209 31.823 -1.391 0.000 0.984 1155 V HN 0.525 nan 8.190 nan 0.000 0.478 1156 K N 3.142 123.361 120.400 -0.302 0.000 2.399 1156 K HA 0.440 4.759 4.320 -0.002 0.000 0.196 1156 K C 0.290 176.820 176.600 -0.117 0.000 1.103 1156 K CA 0.494 56.667 56.287 -0.189 0.000 0.986 1156 K CB 1.338 33.724 32.500 -0.190 0.000 0.952 1156 K HN 0.663 nan 8.250 nan 0.000 0.541 1157 A N 1.058 123.786 122.820 -0.155 0.000 2.455 1157 A HA 0.637 4.956 4.320 -0.002 0.000 0.300 1157 A C -1.062 176.379 177.584 -0.239 0.000 1.040 1157 A CA -0.556 51.423 52.037 -0.096 0.000 0.697 1157 A CB 1.729 20.779 19.000 0.084 0.000 1.265 1157 A HN -0.114 nan 8.150 nan 0.000 0.407 1158 V N 2.101 121.882 119.914 -0.222 0.000 2.656 1158 V HA 0.589 4.708 4.120 -0.002 0.000 0.307 1158 V C -0.637 175.277 176.094 -0.301 0.000 1.051 1158 V CA -0.572 61.554 62.300 -0.290 0.000 0.893 1158 V CB 1.892 33.574 31.823 -0.236 0.000 0.999 1158 V HN 0.711 nan 8.190 nan 0.000 0.426 1159 V N 5.055 124.752 119.914 -0.362 0.000 2.444 1159 V HA 0.610 4.729 4.120 -0.002 0.000 0.294 1159 V C -0.416 175.475 176.094 -0.338 0.000 1.022 1159 V CA -0.542 61.547 62.300 -0.352 0.000 0.850 1159 V CB 1.858 33.449 31.823 -0.387 0.000 0.992 1159 V HN 0.631 nan 8.190 nan 0.000 0.426 1160 V N 4.636 124.343 119.914 -0.345 0.000 2.823 1160 V HA 0.900 5.020 4.120 -0.002 0.000 0.312 1160 V C -0.380 175.621 176.094 -0.154 0.000 1.072 1160 V CA 0.164 62.248 62.300 -0.360 0.000 0.937 1160 V CB 2.604 34.084 31.823 -0.571 0.000 1.013 1160 V HN 0.981 nan 8.190 nan 0.000 0.430 1161 T N 2.130 116.544 114.554 -0.233 0.000 2.841 1161 T HA 0.515 4.864 4.350 -0.002 0.000 0.296 1161 T C -0.726 173.618 174.700 -0.593 0.000 1.166 1161 T CA 0.281 62.163 62.100 -0.364 0.000 1.007 1161 T CB 1.844 70.548 68.868 -0.273 0.000 1.253 1161 T HN 0.974 nan 8.240 nan 0.000 0.511 1162 D N -0.540 119.351 120.400 -0.849 0.000 2.503 1162 D HA 0.296 4.936 4.640 -0.002 0.000 0.218 1162 D C 1.290 177.409 176.300 -0.302 0.000 1.183 1162 D CA 0.558 54.253 54.000 -0.510 0.000 0.827 1162 D CB -0.193 40.329 40.800 -0.462 0.000 1.034 1162 D HN 1.061 nan 8.370 nan 0.000 0.510 1163 G N 1.015 109.635 108.800 -0.300 0.000 2.203 1163 G HA2 -0.431 3.528 3.960 -0.002 0.000 0.263 1163 G HA3 -0.431 3.528 3.960 -0.002 0.000 0.263 1163 G C 0.742 175.566 174.900 -0.127 0.000 1.012 1163 G CA 0.788 45.788 45.100 -0.166 0.000 0.749 1163 G HN 0.510 nan 8.290 nan 0.000 0.512 1164 E N -0.593 119.514 120.200 -0.155 0.000 2.122 1164 E HA 0.060 4.409 4.350 -0.002 0.000 0.190 1164 E C 1.706 178.271 176.600 -0.058 0.000 0.977 1164 E CA 0.328 56.674 56.400 -0.090 0.000 0.820 1164 E CB 0.068 29.725 29.700 -0.073 0.000 0.770 1164 E HN 0.305 nan 8.360 nan 0.000 0.462 1165 R N 1.384 121.850 120.500 -0.057 0.000 2.651 1165 R HA 0.189 4.528 4.340 -0.002 0.000 0.282 1165 R C -1.061 175.215 176.300 -0.039 0.000 1.565 1165 R CA -0.470 55.612 56.100 -0.031 0.000 1.661 1165 R CB 0.224 30.524 30.300 0.000 0.000 1.189 1165 R HN 0.132 nan 8.270 nan 0.000 0.621 1166 I N 5.171 125.711 120.570 -0.051 0.000 2.421 1166 I HA 0.040 4.209 4.170 -0.002 0.000 0.291 1166 I C 1.557 177.642 176.117 -0.052 0.000 1.089 1166 I CA 0.355 61.620 61.300 -0.057 0.000 1.354 1166 I CB -0.440 37.524 38.000 -0.060 0.000 1.413 1166 I HN 0.577 nan 8.210 nan 0.000 0.513 1167 L N 5.021 126.212 121.223 -0.054 0.000 6.828 1167 L HA -0.306 4.033 4.340 -0.002 0.000 0.053 1167 L C 1.395 178.239 176.870 -0.044 0.000 1.638 1167 L CA 1.360 56.165 54.840 -0.059 0.000 1.687 1167 L CB -1.410 40.600 42.059 -0.082 0.000 2.704 1167 L HN 0.720 nan 8.230 nan 0.000 1.061 1168 G N -1.113 107.659 108.800 -0.047 0.000 3.434 1168 G HA2 0.387 4.346 3.960 -0.002 0.000 0.258 1168 G HA3 0.387 4.346 3.960 -0.002 0.000 0.258 1168 G C 0.728 175.607 174.900 -0.035 0.000 1.128 1168 G CA -0.150 44.928 45.100 -0.038 0.000 0.792 1168 G HN 0.217 nan 8.290 nan 0.000 0.539 1169 L N 0.220 121.421 121.223 -0.037 0.000 2.341 1169 L HA 0.355 4.694 4.340 -0.002 0.000 0.214 1169 L C 1.748 178.603 176.870 -0.025 0.000 1.115 1169 L CA 1.191 56.014 54.840 -0.030 0.000 0.820 1169 L CB -0.654 41.386 42.059 -0.031 0.000 0.944 1169 L HN 0.427 nan 8.230 nan 0.000 0.452 1170 G N -0.984 107.799 108.800 -0.028 0.000 2.451 1170 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.208 1170 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.208 1170 G C -0.773 174.106 174.900 -0.035 0.000 1.248 1170 G CA -0.182 44.901 45.100 -0.028 0.000 0.989 1170 G HN 0.090 nan 8.290 nan 0.000 0.559 1171 D N 1.098 121.474 120.400 -0.041 0.000 2.336 1171 D HA 0.477 5.116 4.640 -0.002 0.000 0.249 1171 D C 1.271 177.537 176.300 -0.057 0.000 1.213 1171 D CA -0.142 53.826 54.000 -0.053 0.000 0.870 1171 D CB 0.477 41.241 40.800 -0.061 0.000 1.076 1171 D HN 0.396 nan 8.370 nan 0.000 0.483 1172 L N 3.188 124.388 121.223 -0.039 0.000 2.906 1172 L HA 0.281 4.621 4.340 -0.002 0.000 0.255 1172 L C 1.627 178.508 176.870 0.018 0.000 1.166 1172 L CA -0.091 54.744 54.840 -0.007 0.000 0.977 1172 L CB 0.014 42.112 42.059 0.065 0.000 1.313 1172 L HN 0.644 nan 8.230 nan 0.000 0.549 1173 G N 0.953 109.753 108.800 -0.000 0.000 2.596 1173 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.295 1173 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.295 1173 G C 0.789 175.756 174.900 0.111 0.000 1.240 1173 G CA 0.295 45.441 45.100 0.078 0.000 0.985 1173 G HN -0.091 nan 8.290 nan 0.000 0.555 1174 V N 0.564 120.578 119.914 0.167 0.000 2.759 1174 V HA -0.108 4.011 4.120 -0.002 0.000 0.256 1174 V C 2.278 178.540 176.094 0.279 0.000 1.080 1174 V CA 2.492 64.877 62.300 0.142 0.000 1.101 1174 V CB -0.850 30.962 31.823 -0.018 0.000 0.698 1174 V HN 0.549 nan 8.190 nan 0.000 0.477 1175 Y N 0.807 121.189 120.300 0.136 0.000 2.483 1175 Y HA -0.019 4.530 4.550 -0.002 0.000 0.291 1175 Y C 1.924 177.688 175.900 -0.225 0.000 1.143 1175 Y CA -0.120 58.024 58.100 0.074 0.000 1.289 1175 Y CB -0.096 38.469 38.460 0.175 0.000 0.983 1175 Y HN 0.437 nan 8.280 nan 0.000 0.556 1179 I N 1.992 122.479 120.570 -0.138 0.000 2.163 1179 I HA 0.015 4.184 4.170 -0.002 0.000 0.240 1179 I C -0.258 175.823 176.117 -0.061 0.000 1.081 1179 I CA 1.054 62.314 61.300 -0.066 0.000 1.353 1179 I CB -1.831 36.115 38.000 -0.090 0.000 1.054 1179 I HN 0.025 nan 8.210 nan 0.000 0.407 1180 P HA -0.072 nan 4.420 nan 0.000 0.217 1180 P C 2.291 179.509 177.300 -0.136 0.000 1.150 1180 P CA 0.966 63.961 63.100 -0.174 0.000 0.832 1180 P CB 0.119 31.677 31.700 -0.238 0.000 0.787 1181 V N 0.047 119.916 119.914 -0.076 0.000 2.261 1181 V HA -0.180 3.939 4.120 -0.002 0.000 0.246 1181 V C 2.593 178.720 176.094 0.055 0.000 1.047 1181 V CA 2.617 64.910 62.300 -0.012 0.000 1.015 1181 V CB -1.820 30.041 31.823 0.064 0.000 0.642 1181 V HN 0.163 nan 8.190 nan 0.000 0.446 1182 G N -0.305 108.565 108.800 0.117 0.000 2.440 1182 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.218 1182 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.218 1182 G C 1.654 176.668 174.900 0.190 0.000 1.154 1182 G CA 0.677 45.903 45.100 0.210 0.000 0.767 1182 G HN 0.372 nan 8.290 nan 0.000 0.552 1183 K N 0.201 120.668 120.400 0.112 0.000 2.057 1183 K HA 0.058 4.377 4.320 -0.002 0.000 0.207 1183 K C 2.535 179.200 176.600 0.109 0.000 1.049 1183 K CA 0.621 56.950 56.287 0.070 0.000 0.931 1183 K CB -0.570 31.831 32.500 -0.166 0.000 0.714 1183 K HN 0.349 nan 8.250 nan 0.000 0.440 1184 L N 0.476 121.654 121.223 -0.074 0.000 2.141 1184 L HA -0.191 4.148 4.340 -0.002 0.000 0.209 1184 L C 2.624 179.563 176.870 0.115 0.000 1.094 1184 L CA 0.678 55.419 54.840 -0.166 0.000 0.763 1184 L CB -0.492 41.398 42.059 -0.281 0.000 0.908 1184 L HN 0.167 nan 8.230 nan 0.000 0.437 1185 C N -0.117 119.307 119.300 0.208 0.000 2.425 1185 C HA -0.149 4.310 4.460 -0.002 0.000 0.277 1185 C C 2.664 177.867 174.990 0.356 0.000 1.280 1185 C CA 0.527 59.782 59.018 0.395 0.000 1.744 1185 C CB -0.829 27.128 27.740 0.360 0.000 1.989 1185 C HN 0.453 nan 8.230 nan 0.000 0.491 1186 L N -1.282 120.097 121.223 0.259 0.000 2.217 1186 L HA -0.095 4.244 4.340 -0.002 0.000 0.211 1186 L C 2.433 179.438 176.870 0.225 0.000 1.107 1186 L CA 1.159 56.103 54.840 0.173 0.000 0.783 1186 L CB -0.678 41.427 42.059 0.077 0.000 0.919 1186 L HN 0.274 nan 8.230 nan 0.000 0.442 1187 Y N 0.774 121.152 120.300 0.130 0.000 2.165 1187 Y HA -0.266 4.284 4.550 -0.001 0.000 0.286 1187 Y C 2.795 178.676 175.900 -0.031 0.000 1.155 1187 Y CA 1.852 59.998 58.100 0.078 0.000 1.164 1187 Y CB -0.737 37.752 38.460 0.048 0.000 0.978 1187 Y HN 0.138 nan 8.280 nan 0.000 0.513 1188 T N -0.858 113.751 114.554 0.092 0.000 2.866 1188 T HA -0.000 4.349 4.350 -0.002 0.000 0.250 1188 T C 2.224 176.906 174.700 -0.030 0.000 1.033 1188 T CA 0.996 63.006 62.100 -0.150 0.000 1.145 1188 T CB -0.679 67.769 68.868 -0.701 0.000 0.866 1188 T HN 0.323 nan 8.240 nan 0.000 0.434 1189 A N 0.801 123.693 122.820 0.121 0.000 1.883 1189 A HA -0.148 4.171 4.320 -0.002 0.000 0.217 1189 A C 2.626 180.226 177.584 0.028 0.000 1.186 1189 A CA 1.830 53.956 52.037 0.148 0.000 0.624 1189 A CB -1.289 17.794 19.000 0.137 0.000 0.822 1189 A HN 0.644 nan 8.150 nan 0.000 0.444 1190 C N -1.915 117.371 119.300 -0.024 0.000 2.544 1190 C HA 0.402 4.861 4.460 -0.002 0.000 0.280 1190 C C 2.939 177.880 174.990 -0.082 0.000 1.295 1190 C CA 0.598 59.562 59.018 -0.091 0.000 1.702 1190 C CB -0.932 26.695 27.740 -0.188 0.000 2.090 1190 C HN 0.683 nan 8.230 nan 0.000 0.493 1191 A N -0.437 122.335 122.820 -0.080 0.000 2.348 1191 A HA 0.489 4.808 4.320 -0.002 0.000 0.224 1191 A C 1.511 179.072 177.584 -0.038 0.000 1.227 1191 A CA 0.942 52.932 52.037 -0.079 0.000 0.885 1191 A CB -0.707 18.215 19.000 -0.129 0.000 0.933 1191 A HN 1.272 nan 8.150 nan 0.000 0.506 1192 G N 0.067 108.865 108.800 -0.003 0.000 2.246 1192 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.273 1192 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.273 1192 G C -0.020 174.898 174.900 0.030 0.000 1.055 1192 G CA 0.382 45.514 45.100 0.053 0.000 0.851 1192 G HN 0.490 nan 8.290 nan 0.000 0.500 1193 I N 0.513 121.066 120.570 -0.028 0.000 2.371 1193 I HA 0.208 4.377 4.170 -0.002 0.000 0.290 1193 I C 1.380 177.375 176.117 -0.203 0.000 1.028 1193 I CA -0.765 60.507 61.300 -0.047 0.000 1.345 1193 I CB 0.675 38.711 38.000 0.060 0.000 1.407 1193 I HN 0.117 nan 8.210 nan 0.000 0.501 1194 R N 7.395 127.758 120.500 -0.229 0.000 2.485 1194 R HA -0.051 4.288 4.340 -0.002 0.000 0.304 1194 R C -1.596 174.387 176.300 -0.528 0.000 0.934 1194 R CA -0.859 54.944 56.100 -0.494 0.000 1.102 1194 R CB 0.002 30.144 30.300 -0.263 0.000 0.906 1194 R HN 0.405 nan 8.270 nan 0.000 0.407 1195 P HA -0.206 nan 4.420 nan 0.000 0.215 1195 P C 0.472 177.608 177.300 -0.273 0.000 1.153 1195 P CA 1.392 64.173 63.100 -0.531 0.000 0.853 1195 P CB 0.135 31.439 31.700 -0.660 0.000 0.788 1196 D N -1.196 119.059 120.400 -0.241 0.000 2.310 1196 D HA -0.150 4.489 4.640 -0.002 0.000 0.212 1196 D C 1.408 177.664 176.300 -0.073 0.000 0.965 1196 D CA 0.868 54.815 54.000 -0.087 0.000 0.879 1196 D CB -0.849 39.925 40.800 -0.044 0.000 0.921 1196 D HN 0.074 nan 8.370 nan 0.000 0.510 1197 R N -0.327 120.080 120.500 -0.154 0.000 2.320 1197 R HA 0.194 4.534 4.340 -0.002 0.000 0.211 1197 R C -0.175 176.001 176.300 -0.207 0.000 0.931 1197 R CA -0.083 55.909 56.100 -0.180 0.000 1.071 1197 R CB -0.550 29.628 30.300 -0.202 0.000 1.025 1197 R HN 0.245 nan 8.270 nan 0.000 0.495 1198 C N 1.138 120.323 119.300 -0.193 0.000 2.411 1198 C HA 0.603 5.062 4.460 -0.002 0.000 0.330 1198 C C -0.230 174.599 174.990 -0.268 0.000 1.224 1198 C CA -1.065 57.803 59.018 -0.251 0.000 1.770 1198 C CB 1.273 28.855 27.740 -0.262 0.000 2.297 1198 C HN 0.259 nan 8.230 nan 0.000 0.507 1199 L N 6.116 127.101 121.223 -0.396 0.000 2.457 1199 L HA 0.580 4.919 4.340 -0.002 0.000 0.266 1199 L C -2.600 173.966 176.870 -0.506 0.000 0.979 1199 L CA -1.672 52.839 54.840 -0.549 0.000 0.857 1199 L CB 1.741 43.350 42.059 -0.750 0.000 1.213 1199 L HN 0.443 nan 8.230 nan 0.000 0.418 1200 P HA 0.324 nan 4.420 nan 0.000 0.285 1200 P C -1.254 175.766 177.300 -0.467 0.000 1.259 1200 P CA -0.221 62.640 63.100 -0.398 0.000 0.794 1200 P CB 1.975 33.501 31.700 -0.291 0.000 0.940 1201 V N 3.475 123.130 119.914 -0.431 0.000 2.709 1201 V HA 0.340 4.459 4.120 -0.002 0.000 0.308 1201 V C -0.190 175.626 176.094 -0.463 0.000 1.062 1201 V CA -0.513 61.508 62.300 -0.465 0.000 0.901 1201 V CB 2.371 33.944 31.823 -0.417 0.000 1.003 1201 V HN 0.752 nan 8.190 nan 0.000 0.425 1202 C N 6.697 125.714 119.300 -0.472 0.000 2.340 1202 C HA 0.641 5.100 4.460 -0.002 0.000 0.323 1202 C C -0.539 174.294 174.990 -0.262 0.000 1.260 1202 C CA -0.545 58.266 59.018 -0.346 0.000 1.464 1202 C CB -0.160 27.420 27.740 -0.267 0.000 2.156 1202 C HN 0.711 nan 8.230 nan 0.000 0.476 1203 I N 5.568 125.966 120.570 -0.286 0.000 2.297 1203 I HA 0.261 4.431 4.170 -0.002 0.000 0.291 1203 I C 0.077 176.137 176.117 -0.095 0.000 1.033 1203 I CA 0.397 61.562 61.300 -0.225 0.000 1.253 1203 I CB 0.897 38.726 38.000 -0.284 0.000 1.396 1203 I HN 0.700 nan 8.210 nan 0.000 0.476 1204 D N 6.761 127.147 120.400 -0.024 0.000 2.454 1204 D HA 0.264 4.904 4.640 -0.002 0.000 0.225 1204 D C 0.551 176.879 176.300 0.047 0.000 1.081 1204 D CA -0.418 53.592 54.000 0.018 0.000 0.864 1204 D CB 1.129 41.942 40.800 0.023 0.000 1.040 1204 D HN 0.325 nan 8.370 nan 0.000 0.517 1205 V N 1.789 121.755 119.914 0.086 0.000 3.121 1205 V HA 0.719 4.838 4.120 -0.002 0.000 0.344 1205 V C 0.854 177.001 176.094 0.089 0.000 1.390 1205 V CA 0.309 62.684 62.300 0.124 0.000 1.177 1205 V CB -0.501 31.478 31.823 0.261 0.000 1.163 1205 V HN 0.719 nan 8.190 nan 0.000 0.484 1206 G N -0.184 108.655 108.800 0.065 0.000 2.566 1206 G HA2 0.235 4.194 3.960 -0.002 0.000 0.599 1206 G HA3 0.235 4.194 3.960 -0.002 0.000 0.599 1206 G C -0.442 174.472 174.900 0.023 0.000 1.292 1206 G CA -0.041 45.089 45.100 0.050 0.000 0.922 1206 G HN 1.293 nan 8.290 nan 0.000 0.514 1207 T N -1.379 113.160 114.554 -0.024 0.000 2.932 1207 T HA 0.580 4.929 4.350 -0.002 0.000 0.318 1207 T C -0.336 174.306 174.700 -0.097 0.000 1.265 1207 T CA 0.276 62.330 62.100 -0.077 0.000 1.036 1207 T CB 1.733 70.512 68.868 -0.149 0.000 1.209 1207 T HN 0.424 nan 8.240 nan 0.000 0.484 1208 D N 1.799 122.148 120.400 -0.086 0.000 2.339 1208 D HA 0.057 4.696 4.640 -0.002 0.000 0.217 1208 D C 0.581 176.827 176.300 -0.091 0.000 1.050 1208 D CA 0.099 54.055 54.000 -0.074 0.000 0.856 1208 D CB 0.169 40.936 40.800 -0.054 0.000 0.922 1208 D HN 0.457 nan 8.370 nan 0.000 0.518 1209 N N 1.703 120.326 118.700 -0.129 0.000 2.399 1209 N HA -0.054 4.685 4.740 -0.002 0.000 0.284 1209 N C 1.102 176.525 175.510 -0.146 0.000 1.283 1209 N CA -0.123 52.845 53.050 -0.138 0.000 0.972 1209 N CB 0.324 38.700 38.487 -0.185 0.000 1.328 1209 N HN -0.045 nan 8.380 nan 0.000 0.486 1210 I N 3.190 123.705 120.570 -0.092 0.000 2.236 1210 I HA -0.311 3.858 4.170 -0.002 0.000 0.249 1210 I C 2.272 178.344 176.117 -0.075 0.000 1.102 1210 I CA 1.401 62.657 61.300 -0.072 0.000 1.365 1210 I CB -0.602 37.371 38.000 -0.044 0.000 1.051 1210 I HN 0.554 nan 8.210 nan 0.000 0.420 1211 A N 0.559 123.334 122.820 -0.074 0.000 1.855 1211 A HA -0.094 4.225 4.320 -0.002 0.000 0.215 1211 A C 2.338 179.869 177.584 -0.088 0.000 1.191 1211 A CA 1.390 53.397 52.037 -0.051 0.000 0.613 1211 A CB -0.961 18.026 19.000 -0.021 0.000 0.829 1211 A HN 0.403 nan 8.150 nan 0.000 0.442 1212 L N -0.427 120.674 121.223 -0.203 0.000 2.043 1212 L HA -0.202 4.137 4.340 -0.002 0.000 0.212 1212 L C 2.315 178.963 176.870 -0.369 0.000 1.075 1212 L CA 1.106 55.701 54.840 -0.408 0.000 0.752 1212 L CB -0.666 40.904 42.059 -0.816 0.000 0.891 1212 L HN 0.366 nan 8.230 nan 0.000 0.432 1213 L N -0.394 120.669 121.223 -0.268 0.000 2.549 1213 L HA -0.180 4.160 4.340 -0.002 0.000 0.230 1213 L C 2.000 178.932 176.870 0.104 0.000 1.162 1213 L CA 1.074 55.900 54.840 -0.024 0.000 0.834 1213 L CB -0.331 41.710 42.059 -0.031 0.000 0.947 1213 L HN 0.284 nan 8.230 nan 0.000 0.452 1214 K N -1.363 119.055 120.400 0.029 0.000 2.373 1214 K HA 0.064 4.384 4.320 -0.002 0.000 0.200 1214 K C 0.146 176.766 176.600 0.033 0.000 1.054 1214 K CA -0.237 56.057 56.287 0.011 0.000 1.065 1214 K CB 0.469 32.963 32.500 -0.011 0.000 0.886 1214 K HN 0.012 nan 8.250 nan 0.000 0.546 1215 D N 1.850 122.308 120.400 0.097 0.000 2.312 1215 D HA 0.065 4.704 4.640 -0.002 0.000 0.252 1215 D C -1.987 174.392 176.300 0.132 0.000 1.150 1215 D CA -2.247 51.827 54.000 0.123 0.000 0.870 1215 D CB 1.641 42.569 40.800 0.215 0.000 1.153 1215 D HN -0.153 nan 8.370 nan 0.000 0.457 1216 P HA 0.031 nan 4.420 nan 0.000 0.233 1216 P C 0.345 177.513 177.300 -0.222 0.000 1.167 1216 P CA 0.588 63.536 63.100 -0.252 0.000 0.770 1216 P CB 0.050 31.430 31.700 -0.534 0.000 0.837 1217 F N -3.412 116.611 119.950 0.122 0.000 2.695 1217 F HA 0.215 4.741 4.527 -0.002 0.000 0.303 1217 F C 1.283 177.213 175.800 0.218 0.000 1.091 1217 F CA -1.305 56.739 58.000 0.073 0.000 1.300 1217 F CB -1.125 37.803 39.000 -0.119 0.000 1.071 1217 F HN -0.105 nan 8.300 nan 0.000 0.578 1221 L N 0.475 121.575 121.223 -0.204 0.000 2.367 1221 L HA 0.435 4.774 4.340 -0.002 0.000 0.275 1221 L C -0.384 176.477 176.870 -0.015 0.000 1.129 1221 L CA -0.492 54.304 54.840 -0.074 0.000 0.839 1221 L CB 0.236 42.296 42.059 0.002 0.000 1.133 1221 L HN 0.454 nan 8.230 nan 0.000 0.453 1222 Y N 4.733 125.100 120.300 0.112 0.000 2.594 1222 Y HA 0.349 4.898 4.550 -0.002 0.000 0.344 1222 Y C 0.440 176.363 175.900 0.037 0.000 1.185 1222 Y CA -0.061 58.090 58.100 0.086 0.000 1.565 1222 Y CB -0.257 38.233 38.460 0.051 0.000 1.415 1222 Y HN 0.584 nan 8.280 nan 0.000 0.488 1223 Q N 0.524 120.395 119.800 0.120 0.000 2.647 1223 Q HA 0.431 4.771 4.340 -0.002 0.000 0.283 1223 Q C -1.673 174.346 176.000 0.030 0.000 0.943 1223 Q CA -1.351 54.495 55.803 0.073 0.000 0.813 1223 Q CB 1.477 30.257 28.738 0.070 0.000 1.477 1223 Q HN 0.259 nan 8.270 nan 0.000 0.393 1224 K N 1.066 121.475 120.400 0.016 0.000 2.138 1224 K HA 0.363 4.682 4.320 -0.002 0.000 0.251 1224 K C -0.245 176.358 176.600 0.004 0.000 1.015 1224 K CA -0.705 55.578 56.287 -0.006 0.000 0.917 1224 K CB 0.593 33.087 32.500 -0.010 0.000 1.021 1224 K HN 0.441 nan 8.250 nan 0.000 0.485 1225 R N 1.494 121.987 120.500 -0.012 0.000 2.638 1225 R HA -0.078 4.261 4.340 -0.002 0.000 0.268 1225 R C 0.059 176.361 176.300 0.003 0.000 1.006 1225 R CA 0.233 56.328 56.100 -0.008 0.000 1.088 1225 R CB 0.151 30.422 30.300 -0.048 0.000 0.950 1225 R HN 0.530 nan 8.270 nan 0.000 0.419 1226 D N 2.403 122.828 120.400 0.042 0.000 2.380 1226 D HA 0.074 4.713 4.640 -0.002 0.000 0.230 1226 D C 0.046 176.371 176.300 0.041 0.000 1.154 1226 D CA -0.187 53.856 54.000 0.071 0.000 0.859 1226 D CB 0.691 41.571 40.800 0.133 0.000 1.045 1226 D HN 0.390 nan 8.370 nan 0.000 0.495 1227 R N 1.791 122.290 120.500 -0.002 0.000 2.507 1227 R HA 0.121 4.460 4.340 -0.002 0.000 0.298 1227 R C 1.019 177.351 176.300 0.053 0.000 0.999 1227 R CA -0.251 55.818 56.100 -0.052 0.000 1.082 1227 R CB 0.598 30.849 30.300 -0.081 0.000 1.246 1227 R HN 0.436 nan 8.270 nan 0.000 0.553 1228 T N -2.518 112.101 114.554 0.108 0.000 2.793 1228 T HA -0.013 4.336 4.350 -0.002 0.000 0.299 1228 T C 1.268 176.079 174.700 0.185 0.000 1.038 1228 T CA -0.525 61.647 62.100 0.120 0.000 0.948 1228 T CB 0.999 69.925 68.868 0.098 0.000 1.231 1228 T HN -0.056 nan 8.240 nan 0.000 0.538 1229 Q N -0.170 119.721 119.800 0.152 0.000 2.291 1229 Q HA -0.100 4.239 4.340 -0.002 0.000 0.206 1229 Q C 2.318 178.427 176.000 0.182 0.000 0.976 1229 Q CA 1.647 57.550 55.803 0.167 0.000 0.875 1229 Q CB -0.608 28.201 28.738 0.118 0.000 0.927 1229 Q HN 0.785 nan 8.270 nan 0.000 0.450 1230 Q N -1.468 118.432 119.800 0.167 0.000 2.124 1230 Q HA -0.204 4.135 4.340 -0.002 0.000 0.202 1230 Q C 1.592 177.706 176.000 0.189 0.000 0.977 1230 Q CA 1.491 57.383 55.803 0.150 0.000 0.850 1230 Q CB -0.272 28.541 28.738 0.125 0.000 0.901 1230 Q HN 0.567 nan 8.270 nan 0.000 0.429 1231 Y N 1.793 122.173 120.300 0.134 0.000 2.114 1231 Y HA -0.277 4.272 4.550 -0.002 0.000 0.284 1231 Y C 1.532 177.569 175.900 0.229 0.000 1.143 1231 Y CA 2.075 60.278 58.100 0.171 0.000 1.135 1231 Y CB -0.241 38.336 38.460 0.194 0.000 0.980 1231 Y HN 0.081 nan 8.280 nan 0.000 0.499 1232 D N 0.128 120.746 120.400 0.363 0.000 2.116 1232 D HA -0.206 4.433 4.640 -0.002 0.000 0.193 1232 D C 1.771 178.175 176.300 0.172 0.000 0.998 1232 D CA 1.970 56.171 54.000 0.336 0.000 0.836 1232 D CB -0.233 40.780 40.800 0.355 0.000 0.951 1232 D HN 0.452 nan 8.370 nan 0.000 0.449 1233 D N -0.330 120.152 120.400 0.138 0.000 2.178 1233 D HA -0.105 4.534 4.640 -0.002 0.000 0.202 1233 D C 2.114 178.441 176.300 0.046 0.000 0.974 1233 D CA 0.249 54.307 54.000 0.097 0.000 0.841 1233 D CB -0.173 40.680 40.800 0.087 0.000 0.953 1233 D HN 0.165 nan 8.370 nan 0.000 0.478 1234 L N 1.172 122.400 121.223 0.008 0.000 2.017 1234 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 1234 L C 2.123 178.957 176.870 -0.060 0.000 1.073 1234 L CA 1.272 56.095 54.840 -0.029 0.000 0.745 1234 L CB -0.370 41.652 42.059 -0.061 0.000 0.894 1234 L HN -0.067 nan 8.230 nan 0.000 0.432 1235 I N -0.408 120.064 120.570 -0.163 0.000 2.286 1235 I HA -0.271 3.898 4.170 -0.002 0.000 0.248 1235 I C 2.237 178.317 176.117 -0.063 0.000 1.115 1235 I CA 1.383 62.562 61.300 -0.203 0.000 1.392 1235 I CB -1.411 36.292 38.000 -0.496 0.000 1.065 1235 I HN 0.364 nan 8.210 nan 0.000 0.418 1236 D N 0.802 121.223 120.400 0.034 0.000 2.097 1236 D HA -0.202 4.437 4.640 -0.002 0.000 0.195 1236 D C 2.201 178.510 176.300 0.014 0.000 0.989 1236 D CA 1.179 55.241 54.000 0.102 0.000 0.827 1236 D CB 0.018 40.919 40.800 0.168 0.000 0.966 1236 D HN 0.294 nan 8.370 nan 0.000 0.456 1237 E N -1.123 119.089 120.200 0.020 0.000 2.085 1237 E HA -0.150 4.199 4.350 -0.002 0.000 0.194 1237 E C 0.871 177.450 176.600 -0.034 0.000 0.994 1237 E CA 0.168 56.568 56.400 0.001 0.000 0.801 1237 E CB -0.108 29.601 29.700 0.015 0.000 0.743 1237 E HN 0.226 nan 8.360 nan 0.000 0.453 1241 A N 1.524 124.217 122.820 -0.213 0.000 1.858 1241 A HA -0.115 4.205 4.320 -0.002 0.000 0.216 1241 A C 1.826 179.270 177.584 -0.233 0.000 1.190 1241 A CA 1.840 53.767 52.037 -0.183 0.000 0.617 1241 A CB -0.509 18.407 19.000 -0.139 0.000 0.827 1241 A HN 0.255 nan 8.150 nan 0.000 0.443 1242 I N -0.458 119.886 120.570 -0.378 0.000 2.163 1242 I HA -0.203 3.966 4.170 -0.002 0.000 0.243 1242 I C 2.735 178.758 176.117 -0.157 0.000 1.085 1242 I CA 2.203 63.325 61.300 -0.296 0.000 1.347 1242 I CB -0.888 36.753 38.000 -0.598 0.000 1.044 1242 I HN 0.416 nan 8.210 nan 0.000 0.408 1243 T N -0.471 113.952 114.554 -0.218 0.000 2.708 1243 T HA -0.203 4.146 4.350 -0.002 0.000 0.266 1243 T C 1.728 176.403 174.700 -0.042 0.000 1.037 1243 T CA 1.917 63.969 62.100 -0.079 0.000 1.146 1243 T CB -0.306 68.561 68.868 -0.002 0.000 0.865 1243 T HN 0.258 nan 8.240 nan 0.000 0.435 1244 D N 0.264 120.619 120.400 -0.075 0.000 2.144 1244 D HA -0.055 4.584 4.640 -0.002 0.000 0.199 1244 D C 2.270 178.498 176.300 -0.119 0.000 0.984 1244 D CA 0.907 54.864 54.000 -0.071 0.000 0.834 1244 D CB -0.291 40.467 40.800 -0.070 0.000 0.955 1244 D HN 0.468 nan 8.370 nan 0.000 0.465 1245 R N -0.900 119.472 120.500 -0.213 0.000 2.112 1245 R HA -0.031 4.309 4.340 -0.002 0.000 0.216 1245 R C 1.272 177.312 176.300 -0.433 0.000 1.080 1245 R CA 0.700 56.567 56.100 -0.388 0.000 0.996 1245 R CB 0.089 30.010 30.300 -0.632 0.000 0.902 1245 R HN 0.235 nan 8.270 nan 0.000 0.449 1246 Y N -0.794 119.495 120.300 -0.018 0.000 2.444 1246 Y HA 0.392 4.941 4.550 -0.002 0.000 0.249 1246 Y C 0.435 176.355 175.900 0.033 0.000 1.134 1246 Y CA 0.098 58.211 58.100 0.022 0.000 1.261 1246 Y CB 1.703 40.167 38.460 0.008 0.000 1.143 1246 Y HN 0.271 nan 8.280 nan 0.000 0.523 1247 G N 1.404 110.273 108.800 0.115 0.000 2.742 1247 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.686 1247 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.686 1247 G C 0.139 175.081 174.900 0.070 0.000 1.220 1247 G CA -0.790 44.362 45.100 0.086 0.000 0.783 1247 G HN 0.263 nan 8.290 nan 0.000 0.646 1248 R N 1.116 121.649 120.500 0.055 0.000 2.339 1248 R HA 0.033 4.372 4.340 -0.002 0.000 0.199 1248 R C 1.003 177.340 176.300 0.061 0.000 1.018 1248 R CA 0.719 56.869 56.100 0.083 0.000 1.036 1248 R CB 0.043 30.383 30.300 0.066 0.000 0.899 1248 R HN 0.384 nan 8.270 nan 0.000 0.473 1249 N N 1.427 120.150 118.700 0.038 0.000 2.325 1249 N HA -0.020 4.719 4.740 -0.002 0.000 0.182 1249 N C -0.478 175.058 175.510 0.044 0.000 1.088 1249 N CA 0.229 53.292 53.050 0.022 0.000 0.879 1249 N CB 0.362 38.865 38.487 0.027 0.000 0.983 1249 N HN 0.080 nan 8.380 nan 0.000 0.471 1250 T N 2.309 116.889 114.554 0.044 0.000 2.866 1250 T HA -0.047 4.302 4.350 -0.002 0.000 0.293 1250 T C 0.340 175.051 174.700 0.017 0.000 1.005 1250 T CA -0.191 61.918 62.100 0.014 0.000 1.162 1250 T CB 0.517 69.378 68.868 -0.011 0.000 0.968 1250 T HN 0.090 nan 8.240 nan 0.000 0.530 1251 L N 6.060 127.308 121.223 0.041 0.000 2.477 1251 L HA 0.366 4.706 4.340 -0.002 0.000 0.272 1251 L C -0.524 176.369 176.870 0.039 0.000 1.157 1251 L CA 0.302 55.205 54.840 0.106 0.000 0.889 1251 L CB -0.290 41.878 42.059 0.182 0.000 1.158 1251 L HN 0.564 nan 8.230 nan 0.000 0.473 1252 I N 5.710 126.305 120.570 0.042 0.000 2.390 1252 I HA 0.289 4.458 4.170 -0.002 0.000 0.283 1252 I C -0.264 175.794 176.117 -0.099 0.000 1.016 1252 I CA -0.417 60.840 61.300 -0.073 0.000 1.151 1252 I CB 1.333 39.263 38.000 -0.117 0.000 1.293 1252 I HN 0.651 nan 8.210 nan 0.000 0.458 1253 Q N 6.325 125.977 119.800 -0.248 0.000 2.331 1253 Q HA 0.393 4.732 4.340 -0.002 0.000 0.257 1253 Q C -1.421 174.369 176.000 -0.351 0.000 0.957 1253 Q CA -0.620 54.890 55.803 -0.487 0.000 0.923 1253 Q CB 0.952 29.427 28.738 -0.438 0.000 1.212 1253 Q HN 0.422 nan 8.270 nan 0.000 0.443 1254 F N 2.815 122.516 119.950 -0.415 0.000 2.420 1254 F HA 0.280 4.806 4.527 -0.001 0.000 0.352 1254 F C 0.328 176.055 175.800 -0.121 0.000 1.108 1254 F CA -0.260 57.584 58.000 -0.261 0.000 1.162 1254 F CB 1.278 40.035 39.000 -0.404 0.000 1.118 1254 F HN 0.558 nan 8.300 nan 0.000 0.510 1255 E N 1.678 121.992 120.200 0.190 0.000 2.272 1255 E HA 0.328 4.678 4.350 -0.002 0.000 0.269 1255 E C -1.056 175.655 176.600 0.185 0.000 0.877 1255 E CA -0.550 55.918 56.400 0.114 0.000 0.755 1255 E CB 0.973 30.645 29.700 -0.048 0.000 1.192 1255 E HN 0.477 nan 8.360 nan 0.000 0.422 1256 D N 2.165 122.637 120.400 0.120 0.000 2.701 1256 D HA -0.238 4.401 4.640 -0.002 0.000 0.235 1256 D C -0.891 175.445 176.300 0.059 0.000 1.155 1256 D CA 0.932 54.968 54.000 0.059 0.000 0.649 1256 D CB -1.326 39.458 40.800 -0.026 0.000 1.050 1256 D HN 0.232 nan 8.370 nan 0.000 0.425 1257 F N 0.618 120.593 119.950 0.042 0.000 2.375 1257 F HA 0.497 5.024 4.527 -0.002 0.000 0.333 1257 F C 1.946 177.780 175.800 0.057 0.000 1.104 1257 F CA 0.089 58.151 58.000 0.102 0.000 1.149 1257 F CB 0.846 39.977 39.000 0.219 0.000 1.190 1257 F HN -0.016 nan 8.300 nan 0.000 0.533 1258 G N 2.117 111.030 108.800 0.189 0.000 2.720 1258 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.237 1258 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.237 1258 G C 1.026 176.009 174.900 0.138 0.000 1.239 1258 G CA -0.266 44.906 45.100 0.121 0.000 0.847 1258 G HN 0.771 nan 8.290 nan 0.000 0.593 1259 N N 0.012 118.781 118.700 0.115 0.000 2.011 1259 N HA -0.276 4.463 4.740 -0.002 0.000 0.199 1259 N C 1.867 177.502 175.510 0.209 0.000 1.047 1259 N CA 2.263 55.401 53.050 0.148 0.000 0.863 1259 N CB -0.500 38.080 38.487 0.155 0.000 1.056 1259 N HN 0.748 nan 8.380 nan 0.000 0.427 1260 H N 0.755 119.884 119.070 0.097 0.000 2.251 1260 H HA -0.040 4.515 4.556 -0.002 0.000 0.294 1260 H C 1.841 177.176 175.328 0.011 0.000 1.078 1260 H CA 2.730 58.820 56.048 0.069 0.000 1.246 1260 H CB -0.753 29.015 29.762 0.011 0.000 1.358 1260 H HN 0.455 nan 8.280 nan 0.000 0.488 1261 N N -0.111 118.505 118.700 -0.140 0.000 2.149 1261 N HA -0.191 4.548 4.740 -0.002 0.000 0.188 1261 N C 2.081 177.441 175.510 -0.250 0.000 1.019 1261 N CA 0.828 53.685 53.050 -0.322 0.000 0.857 1261 N CB -0.218 38.399 38.487 0.217 0.000 0.997 1261 N HN 0.497 nan 8.380 nan 0.000 0.426 1262 A N 0.974 123.767 122.820 -0.044 0.000 1.892 1262 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 1262 A C 1.864 179.226 177.584 -0.371 0.000 1.188 1262 A CA 1.394 53.328 52.037 -0.172 0.000 0.631 1262 A CB -0.934 17.935 19.000 -0.218 0.000 0.822 1262 A HN 0.237 nan 8.150 nan 0.000 0.447 1263 F N 0.247 120.027 119.950 -0.284 0.000 2.098 1263 F HA -0.133 4.393 4.527 -0.001 0.000 0.294 1263 F C 2.676 178.322 175.800 -0.257 0.000 1.107 1263 F CA 1.732 59.527 58.000 -0.343 0.000 1.234 1263 F CB -0.370 38.296 39.000 -0.557 0.000 1.002 1263 F HN 0.248 nan 8.300 nan 0.000 0.472 1264 R N -0.084 120.328 120.500 -0.146 0.000 2.103 1264 R HA -0.220 4.119 4.340 -0.002 0.000 0.242 1264 R C 2.125 178.285 176.300 -0.234 0.000 1.142 1264 R CA 2.136 58.089 56.100 -0.245 0.000 0.960 1264 R CB -1.638 28.356 30.300 -0.510 0.000 0.858 1264 R HN 0.259 nan 8.270 nan 0.000 0.439 1265 F N 0.971 120.786 119.950 -0.225 0.000 2.186 1265 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 1265 F C 2.370 177.957 175.800 -0.354 0.000 1.090 1265 F CA 0.187 58.002 58.000 -0.308 0.000 1.307 1265 F CB -0.195 38.562 39.000 -0.405 0.000 1.019 1265 F HN 0.009 nan 8.300 nan 0.000 0.489 1266 L N 0.992 122.098 121.223 -0.194 0.000 2.012 1266 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 1266 L C 2.423 179.273 176.870 -0.033 0.000 1.073 1266 L CA 1.791 56.535 54.840 -0.160 0.000 0.748 1266 L CB -0.825 41.130 42.059 -0.173 0.000 0.891 1266 L HN -0.003 nan 8.230 nan 0.000 0.431 1267 R N -0.383 120.111 120.500 -0.010 0.000 2.073 1267 R HA -0.221 4.118 4.340 -0.002 0.000 0.234 1267 R C 2.517 178.790 176.300 -0.046 0.000 1.134 1267 R CA 1.964 58.075 56.100 0.018 0.000 0.952 1267 R CB -0.314 30.023 30.300 0.063 0.000 0.850 1267 R HN 0.424 nan 8.270 nan 0.000 0.433 1268 K N -0.771 119.544 120.400 -0.141 0.000 2.097 1268 K HA -0.189 4.130 4.320 -0.002 0.000 0.206 1268 K C 1.305 177.716 176.600 -0.316 0.000 1.049 1268 K CA 1.728 57.834 56.287 -0.301 0.000 0.933 1268 K CB -0.017 32.178 32.500 -0.508 0.000 0.717 1268 K HN 0.347 nan 8.250 nan 0.000 0.442 1269 Y N -0.049 120.314 120.300 0.105 0.000 2.507 1269 Y HA 0.103 4.652 4.550 -0.001 0.000 0.263 1269 Y C 2.005 178.017 175.900 0.187 0.000 1.093 1269 Y CA -0.097 58.120 58.100 0.195 0.000 1.285 1269 Y CB 0.281 38.907 38.460 0.277 0.000 1.115 1269 Y HN 0.050 nan 8.280 nan 0.000 0.533 1270 R N 0.424 121.068 120.500 0.240 0.000 2.249 1270 R HA -0.176 4.163 4.340 -0.002 0.000 0.230 1270 R C 1.191 177.597 176.300 0.177 0.000 1.121 1270 R CA 1.739 57.981 56.100 0.236 0.000 0.997 1270 R CB -0.209 30.191 30.300 0.166 0.000 0.867 1270 R HN 0.178 nan 8.270 nan 0.000 0.465 1271 E N 0.872 121.102 120.200 0.051 0.000 2.216 1271 E HA 0.015 4.364 4.350 -0.002 0.000 0.192 1271 E C 1.559 178.026 176.600 -0.221 0.000 0.973 1271 E CA 0.903 57.200 56.400 -0.172 0.000 0.851 1271 E CB 0.240 29.867 29.700 -0.120 0.000 0.804 1271 E HN 0.357 nan 8.360 nan 0.000 0.477 1272 K N -1.499 118.892 120.400 -0.015 0.000 2.202 1272 K HA 0.072 4.391 4.320 -0.002 0.000 0.201 1272 K C -0.208 176.296 176.600 -0.159 0.000 1.051 1272 K CA 0.431 56.627 56.287 -0.150 0.000 0.977 1272 K CB 0.349 32.630 32.500 -0.365 0.000 0.792 1272 K HN 0.003 nan 8.250 nan 0.000 0.469 1273 Y N -1.648 118.850 120.300 0.329 0.000 2.686 1273 Y HA 0.285 4.834 4.550 -0.001 0.000 0.330 1273 Y C -0.353 175.675 175.900 0.213 0.000 1.082 1273 Y CA -1.419 56.800 58.100 0.198 0.000 1.158 1273 Y CB 1.143 39.668 38.460 0.108 0.000 1.333 1273 Y HN -0.180 nan 8.280 nan 0.000 0.519 1274 C N 2.146 121.613 119.300 0.278 0.000 2.484 1274 C HA 0.505 4.964 4.460 -0.002 0.000 0.494 1274 C C 0.231 175.395 174.990 0.289 0.000 1.052 1274 C CA 0.045 59.188 59.018 0.210 0.000 1.307 1274 C CB -2.353 25.451 27.740 0.105 0.000 1.464 1274 C HN 0.722 nan 8.230 nan 0.000 0.564 1275 T N 2.428 117.200 114.554 0.364 0.000 2.910 1275 T HA 0.880 5.229 4.350 -0.002 0.000 0.287 1275 T C -0.975 174.008 174.700 0.472 0.000 1.050 1275 T CA -0.365 61.954 62.100 0.365 0.000 1.011 1275 T CB 1.452 70.530 68.868 0.350 0.000 1.195 1275 T HN 1.034 nan 8.240 nan 0.000 0.540 1276 F N 0.468 120.568 119.950 0.250 0.000 2.746 1276 F HA 0.498 5.024 4.527 -0.002 0.000 0.311 1276 F C -1.781 174.116 175.800 0.161 0.000 1.135 1276 F CA -1.215 56.898 58.000 0.188 0.000 0.954 1276 F CB 0.897 40.090 39.000 0.321 0.000 1.276 1276 F HN 0.506 nan 8.300 nan 0.000 0.440 1277 N N 2.470 121.238 118.700 0.113 0.000 2.444 1277 N HA 0.150 4.889 4.740 -0.002 0.000 0.262 1277 N C -0.033 175.565 175.510 0.148 0.000 0.974 1277 N CA -0.045 52.989 53.050 -0.026 0.000 0.933 1277 N CB 1.647 40.046 38.487 -0.147 0.000 1.137 1277 N HN 0.984 nan 8.380 nan 0.000 0.498 1278 D N 2.443 122.904 120.400 0.103 0.000 2.144 1278 D HA -0.125 4.514 4.640 -0.002 0.000 0.199 1278 D C 0.667 177.086 176.300 0.198 0.000 0.984 1278 D CA 1.367 55.551 54.000 0.307 0.000 0.834 1278 D CB 0.334 41.225 40.800 0.152 0.000 0.955 1278 D HN 0.544 nan 8.370 nan 0.000 0.465 1279 D N -0.649 119.799 120.400 0.080 0.000 2.264 1279 D HA -0.055 4.584 4.640 -0.002 0.000 0.208 1279 D C 1.942 178.230 176.300 -0.021 0.000 0.966 1279 D CA 0.541 54.563 54.000 0.037 0.000 0.864 1279 D CB 0.448 41.249 40.800 0.002 0.000 0.933 1279 D HN 0.415 nan 8.370 nan 0.000 0.499 1280 I N 0.058 120.582 120.570 -0.076 0.000 2.900 1280 I HA -0.113 4.056 4.170 -0.002 0.000 0.251 1280 I C 2.172 178.221 176.117 -0.113 0.000 1.102 1280 I CA 0.305 61.513 61.300 -0.154 0.000 1.457 1280 I CB 0.091 37.895 38.000 -0.327 0.000 1.285 1280 I HN -0.213 nan 8.210 nan 0.000 0.459 1281 Q N 0.721 120.425 119.800 -0.159 0.000 2.204 1281 Q HA 0.061 4.400 4.340 -0.002 0.000 0.198 1281 Q C 2.227 178.175 176.000 -0.086 0.000 0.946 1281 Q CA 1.166 56.701 55.803 -0.447 0.000 0.859 1281 Q CB -0.176 27.840 28.738 -1.203 0.000 0.946 1281 Q HN 0.538 nan 8.270 nan 0.000 0.474 1282 G N 0.747 109.717 108.800 0.283 0.000 2.404 1282 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.215 1282 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.215 1282 G C 1.406 176.489 174.900 0.304 0.000 1.174 1282 G CA 1.380 46.762 45.100 0.471 0.000 0.780 1282 G HN 0.246 nan 8.290 nan 0.000 0.537 1283 T N 1.967 116.652 114.554 0.218 0.000 2.684 1283 T HA -0.034 4.315 4.350 -0.002 0.000 0.267 1283 T C 2.816 177.612 174.700 0.160 0.000 1.036 1283 T CA 1.608 63.809 62.100 0.168 0.000 1.148 1283 T CB -0.514 68.429 68.868 0.125 0.000 0.863 1283 T HN 0.382 nan 8.240 nan 0.000 0.436 1284 A N 1.706 124.602 122.820 0.128 0.000 1.927 1284 A HA -0.041 4.279 4.320 -0.002 0.000 0.220 1284 A C 2.649 180.334 177.584 0.168 0.000 1.185 1284 A CA 2.201 54.313 52.037 0.125 0.000 0.639 1284 A CB -1.196 17.836 19.000 0.052 0.000 0.820 1284 A HN 0.561 nan 8.150 nan 0.000 0.451 1285 A N -0.847 122.099 122.820 0.211 0.000 1.968 1285 A HA 0.128 4.447 4.320 -0.002 0.000 0.217 1285 A C 2.192 179.880 177.584 0.172 0.000 1.169 1285 A CA 1.599 53.757 52.037 0.202 0.000 0.638 1285 A CB -0.718 18.428 19.000 0.243 0.000 0.812 1285 A HN 0.463 nan 8.150 nan 0.000 0.446 1286 V N -0.161 119.855 119.914 0.171 0.000 2.283 1286 V HA -0.169 3.950 4.120 -0.002 0.000 0.243 1286 V C 3.002 179.239 176.094 0.240 0.000 1.039 1286 V CA 1.745 64.133 62.300 0.148 0.000 1.016 1286 V CB -1.561 30.296 31.823 0.057 0.000 0.650 1286 V HN 0.538 nan 8.190 nan 0.000 0.449 1287 A N 0.332 123.286 122.820 0.223 0.000 1.883 1287 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 1287 A C 2.211 179.973 177.584 0.297 0.000 1.186 1287 A CA 2.308 54.528 52.037 0.304 0.000 0.624 1287 A CB -0.685 18.500 19.000 0.309 0.000 0.822 1287 A HN 0.465 nan 8.150 nan 0.000 0.444 1288 L N -0.261 121.088 121.223 0.211 0.000 2.046 1288 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 1288 L C 2.634 179.575 176.870 0.119 0.000 1.077 1288 L CA 2.245 57.174 54.840 0.149 0.000 0.747 1288 L CB -0.791 41.344 42.059 0.126 0.000 0.896 1288 L HN 0.335 nan 8.230 nan 0.000 0.432 1289 A N -0.608 122.294 122.820 0.137 0.000 2.019 1289 A HA -0.058 4.261 4.320 -0.002 0.000 0.219 1289 A C 2.288 179.863 177.584 -0.014 0.000 1.164 1289 A CA 1.478 53.567 52.037 0.088 0.000 0.644 1289 A CB -1.470 17.617 19.000 0.145 0.000 0.805 1289 A HN 0.554 nan 8.150 nan 0.000 0.449 1290 G N -0.227 108.588 108.800 0.025 0.000 2.414 1290 G HA2 -0.086 3.873 3.960 -0.002 0.000 0.215 1290 G HA3 -0.086 3.873 3.960 -0.002 0.000 0.215 1290 G C 1.389 176.308 174.900 0.032 0.000 1.188 1290 G CA 0.871 45.862 45.100 -0.182 0.000 0.783 1290 G HN 0.310 nan 8.290 nan 0.000 0.537 1291 L N 0.060 121.355 121.223 0.120 0.000 2.042 1291 L HA -0.047 4.293 4.340 -0.002 0.000 0.210 1291 L C 2.972 179.827 176.870 -0.024 0.000 1.076 1291 L CA 1.167 55.999 54.840 -0.014 0.000 0.749 1291 L CB -1.248 40.752 42.059 -0.098 0.000 0.893 1291 L HN 0.149 nan 8.230 nan 0.000 0.432 1292 L N -0.145 121.072 121.223 -0.010 0.000 2.127 1292 L HA -0.159 4.180 4.340 -0.002 0.000 0.211 1292 L C 2.685 179.544 176.870 -0.019 0.000 1.089 1292 L CA 1.735 56.570 54.840 -0.007 0.000 0.757 1292 L CB -0.887 41.172 42.059 0.000 0.000 0.899 1292 L HN 0.210 nan 8.230 nan 0.000 0.434 1293 A N -0.993 121.794 122.820 -0.055 0.000 1.929 1293 A HA -0.042 4.277 4.320 -0.002 0.000 0.216 1293 A C 2.503 180.074 177.584 -0.022 0.000 1.176 1293 A CA 1.361 53.356 52.037 -0.071 0.000 0.628 1293 A CB -0.801 18.091 19.000 -0.181 0.000 0.816 1293 A HN 0.365 nan 8.150 nan 0.000 0.444 1294 A N -0.415 122.405 122.820 0.000 0.000 1.883 1294 A HA -0.256 4.063 4.320 -0.002 0.000 0.217 1294 A C 2.095 179.714 177.584 0.058 0.000 1.186 1294 A CA 1.748 53.810 52.037 0.042 0.000 0.624 1294 A CB -0.718 18.315 19.000 0.055 0.000 0.822 1294 A HN 0.633 nan 8.150 nan 0.000 0.444 1295 Q N -0.355 119.481 119.800 0.061 0.000 2.133 1295 Q HA -0.225 4.114 4.340 -0.002 0.000 0.208 1295 Q C 1.660 177.686 176.000 0.043 0.000 0.991 1295 Q CA 1.863 57.707 55.803 0.069 0.000 0.867 1295 Q CB -0.264 28.509 28.738 0.058 0.000 0.911 1295 Q HN 0.623 nan 8.270 nan 0.000 0.417 1296 K N -0.133 120.284 120.400 0.029 0.000 2.574 1296 K HA -0.045 4.274 4.320 -0.002 0.000 0.193 1296 K C 1.345 177.960 176.600 0.026 0.000 1.035 1296 K CA 0.313 56.614 56.287 0.023 0.000 0.982 1296 K CB 0.366 32.875 32.500 0.015 0.000 0.795 1296 K HN 0.054 nan 8.250 nan 0.000 0.491 1297 V N 0.528 120.461 119.914 0.032 0.000 2.870 1297 V HA -0.075 4.045 4.120 -0.002 0.000 0.232 1297 V C 1.876 177.985 176.094 0.026 0.000 1.161 1297 V CA 0.593 62.913 62.300 0.034 0.000 1.204 1297 V CB -0.068 31.781 31.823 0.043 0.000 1.003 1297 V HN 0.250 nan 8.190 nan 0.000 0.499 1298 I N -1.175 119.410 120.570 0.026 0.000 2.394 1298 I HA -0.063 4.106 4.170 -0.002 0.000 0.251 1298 I C 1.682 177.799 176.117 0.000 0.000 1.136 1298 I CA 1.342 62.643 61.300 0.002 0.000 1.425 1298 I CB -0.363 37.626 38.000 -0.019 0.000 1.079 1298 I HN 0.389 nan 8.210 nan 0.000 0.425 1299 S N -0.012 115.699 115.700 0.018 0.000 2.829 1299 S HA -0.266 4.203 4.470 -0.002 0.000 0.267 1299 S C 0.701 175.308 174.600 0.013 0.000 1.293 1299 S CA 1.390 59.601 58.200 0.018 0.000 1.375 1299 S CB -1.659 61.547 63.200 0.010 0.000 1.700 1299 S HN 0.728 nan 8.310 nan 0.000 0.668 1300 K N 2.403 122.799 120.400 -0.007 0.000 2.504 1300 K HA 0.061 4.380 4.320 -0.002 0.000 0.278 1300 K C -2.138 174.473 176.600 0.018 0.000 1.025 1300 K CA -0.973 55.292 56.287 -0.036 0.000 1.093 1300 K CB 0.282 32.690 32.500 -0.152 0.000 0.873 1300 K HN 0.083 nan 8.250 nan 0.000 0.483 1301 P HA -0.123 nan 4.420 nan 0.000 0.276 1301 P C 0.584 177.933 177.300 0.080 0.000 1.264 1301 P CA -0.250 62.875 63.100 0.041 0.000 0.815 1301 P CB 0.389 32.103 31.700 0.024 0.000 1.121 1302 I N -0.722 119.895 120.570 0.078 0.000 3.645 1302 I HA -0.042 4.127 4.170 -0.002 0.000 0.300 1302 I C 1.728 177.897 176.117 0.087 0.000 1.260 1302 I CA 1.083 62.443 61.300 0.099 0.000 1.365 1302 I CB -1.679 36.369 38.000 0.079 0.000 1.077 1302 I HN 0.255 nan 8.210 nan 0.000 0.439 1303 S N -0.341 115.395 115.700 0.060 0.000 2.603 1303 S HA 0.073 4.542 4.470 -0.002 0.000 0.229 1303 S C 0.828 175.455 174.600 0.046 0.000 0.972 1303 S CA 0.221 58.450 58.200 0.048 0.000 0.935 1303 S CB 0.088 63.306 63.200 0.031 0.000 0.769 1303 S HN 0.319 nan 8.310 nan 0.000 0.536 1304 E N 0.536 120.767 120.200 0.051 0.000 2.518 1304 E HA 0.318 4.667 4.350 -0.002 0.000 0.248 1304 E C -0.587 176.075 176.600 0.104 0.000 1.028 1304 E CA -0.705 55.707 56.400 0.020 0.000 0.922 1304 E CB 0.216 29.886 29.700 -0.050 0.000 1.299 1304 E HN 0.324 nan 8.360 nan 0.000 0.457 1305 H N 0.293 119.363 119.070 -0.000 0.000 3.784 1305 H HA -0.136 4.419 4.556 -0.001 0.000 0.307 1305 H C -0.619 174.723 175.328 0.025 0.000 0.816 1305 H CA 0.590 56.635 56.048 -0.006 0.000 0.907 1305 H CB -0.356 29.402 29.762 -0.006 0.000 1.406 1305 H HN 0.325 nan 8.280 nan 0.000 0.331 1306 K N 4.974 125.463 120.400 0.149 0.000 2.449 1306 K HA 0.458 4.777 4.320 -0.002 0.000 0.257 1306 K C 0.115 176.791 176.600 0.127 0.000 0.989 1306 K CA -0.566 55.808 56.287 0.144 0.000 0.916 1306 K CB 0.720 33.263 32.500 0.072 0.000 1.136 1306 K HN 0.339 nan 8.250 nan 0.000 0.439 1307 I N 5.158 125.828 120.570 0.166 0.000 2.365 1307 I HA 0.231 4.400 4.170 -0.002 0.000 0.291 1307 I C -0.594 175.615 176.117 0.154 0.000 1.004 1307 I CA -1.008 60.328 61.300 0.061 0.000 1.311 1307 I CB 1.123 39.109 38.000 -0.022 0.000 1.401 1307 I HN 0.435 nan 8.210 nan 0.000 0.491 1308 L N 7.603 128.847 121.223 0.034 0.000 2.381 1308 L HA 0.577 4.916 4.340 -0.002 0.000 0.274 1308 L C -1.451 175.514 176.870 0.158 0.000 0.988 1308 L CA -0.001 54.964 54.840 0.209 0.000 0.824 1308 L CB 1.262 43.403 42.059 0.138 0.000 1.263 1308 L HN 0.248 nan 8.230 nan 0.000 0.410 1309 F N 4.829 124.981 119.950 0.335 0.000 2.422 1309 F HA 0.543 5.069 4.527 -0.002 0.000 0.333 1309 F C -0.245 175.766 175.800 0.351 0.000 1.095 1309 F CA -0.494 57.677 58.000 0.285 0.000 1.038 1309 F CB 1.814 40.914 39.000 0.168 0.000 1.156 1309 F HN 0.385 nan 8.300 nan 0.000 0.483 1310 L N 3.427 124.882 121.223 0.387 0.000 2.262 1310 L HA 0.790 5.129 4.340 -0.002 0.000 0.288 1310 L C -0.089 176.883 176.870 0.170 0.000 1.035 1310 L CA 0.141 55.052 54.840 0.118 0.000 0.820 1310 L CB 0.347 42.231 42.059 -0.291 0.000 1.204 1310 L HN 0.751 nan 8.230 nan 0.000 0.424 1311 G N 3.726 112.661 108.800 0.225 0.000 2.712 1311 G HA2 0.314 4.274 3.960 -0.002 0.000 0.686 1311 G HA3 0.314 4.274 3.960 -0.002 0.000 0.686 1311 G C -0.372 174.611 174.900 0.138 0.000 1.181 1311 G CA -0.326 44.859 45.100 0.142 0.000 0.762 1311 G HN 1.447 nan 8.290 nan 0.000 0.641 1312 A N 0.915 123.780 122.820 0.075 0.000 2.610 1312 A HA 0.808 5.127 4.320 -0.002 0.000 0.290 1312 A C 1.241 178.828 177.584 0.006 0.000 1.001 1312 A CA 1.041 53.082 52.037 0.007 0.000 1.004 1312 A CB -0.112 18.908 19.000 0.033 0.000 1.220 1312 A HN 2.222 nan 8.150 nan 0.000 0.507 1313 G N -0.354 108.467 108.800 0.035 0.000 2.783 1313 G HA2 0.303 4.262 3.960 -0.002 0.000 0.182 1313 G HA3 0.303 4.262 3.960 -0.002 0.000 0.182 1313 G C 0.696 175.679 174.900 0.138 0.000 1.516 1313 G CA 0.332 45.486 45.100 0.090 0.000 1.079 1313 G HN 0.368 nan 8.290 nan 0.000 0.573 1314 E N -0.240 120.032 120.200 0.120 0.000 2.033 1314 E HA -0.203 4.146 4.350 -0.002 0.000 0.199 1314 E C 2.816 179.397 176.600 -0.032 0.000 1.011 1314 E CA 1.410 57.797 56.400 -0.023 0.000 0.815 1314 E CB -0.248 29.354 29.700 -0.163 0.000 0.755 1314 E HN 0.372 nan 8.360 nan 0.000 0.451 1315 A N 1.233 124.046 122.820 -0.012 0.000 1.897 1315 A HA -0.025 4.294 4.320 -0.002 0.000 0.215 1315 A C 2.366 179.939 177.584 -0.019 0.000 1.181 1315 A CA 1.533 53.575 52.037 0.008 0.000 0.620 1315 A CB -0.660 18.371 19.000 0.051 0.000 0.821 1315 A HN 0.293 nan 8.150 nan 0.000 0.443 1316 A N 0.138 122.910 122.820 -0.080 0.000 1.851 1316 A HA -0.123 4.196 4.320 -0.002 0.000 0.216 1316 A C 2.156 179.386 177.584 -0.590 0.000 1.195 1316 A CA 1.650 53.438 52.037 -0.414 0.000 0.622 1316 A CB -0.845 17.913 19.000 -0.404 0.000 0.831 1316 A HN 0.473 nan 8.150 nan 0.000 0.444 1317 L N -0.674 120.362 121.223 -0.311 0.000 2.079 1317 L HA -0.172 4.168 4.340 -0.002 0.000 0.210 1317 L C 2.772 179.581 176.870 -0.102 0.000 1.081 1317 L CA 1.116 55.828 54.840 -0.213 0.000 0.752 1317 L CB -0.792 41.289 42.059 0.037 0.000 0.896 1317 L HN 0.535 nan 8.230 nan 0.000 0.433 1318 G N 0.176 108.951 108.800 -0.042 0.000 2.394 1318 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.215 1318 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.215 1318 G C 1.576 176.471 174.900 -0.008 0.000 1.165 1318 G CA 0.492 45.583 45.100 -0.016 0.000 0.784 1318 G HN 0.281 nan 8.290 nan 0.000 0.535 1319 I N 1.438 122.005 120.570 -0.005 0.000 2.202 1319 I HA -0.120 4.049 4.170 -0.002 0.000 0.242 1319 I C 3.316 179.484 176.117 0.085 0.000 1.091 1319 I CA 0.852 62.218 61.300 0.109 0.000 1.368 1319 I CB -0.349 37.825 38.000 0.290 0.000 1.058 1319 I HN 0.224 nan 8.210 nan 0.000 0.410 1320 A N 1.353 124.083 122.820 -0.150 0.000 1.859 1320 A HA -0.275 4.044 4.320 -0.002 0.000 0.217 1320 A C 2.152 179.763 177.584 0.044 0.000 1.198 1320 A CA 2.242 54.127 52.037 -0.254 0.000 0.629 1320 A CB -0.974 17.319 19.000 -1.179 0.000 0.830 1320 A HN 0.459 nan 8.150 nan 0.000 0.446 1321 N N -0.677 118.074 118.700 0.085 0.000 2.149 1321 N HA -0.151 4.588 4.740 -0.002 0.000 0.188 1321 N C 1.596 177.203 175.510 0.162 0.000 1.019 1321 N CA 1.641 54.820 53.050 0.216 0.000 0.857 1321 N CB -0.275 38.322 38.487 0.182 0.000 0.997 1321 N HN 0.400 nan 8.380 nan 0.000 0.426 1322 L N 1.249 122.545 121.223 0.121 0.000 2.179 1322 L HA 0.109 4.448 4.340 -0.002 0.000 0.208 1322 L C 2.008 178.955 176.870 0.128 0.000 1.096 1322 L CA 0.747 55.658 54.840 0.118 0.000 0.779 1322 L CB -0.209 41.916 42.059 0.110 0.000 0.922 1322 L HN 0.065 nan 8.230 nan 0.000 0.443 1323 I N -1.455 119.202 120.570 0.144 0.000 2.113 1323 I HA -0.222 3.947 4.170 -0.002 0.000 0.238 1323 I C 1.337 177.541 176.117 0.146 0.000 1.070 1323 I CA 0.399 61.782 61.300 0.139 0.000 1.332 1323 I CB -0.419 37.679 38.000 0.163 0.000 1.044 1323 I HN -0.111 nan 8.210 nan 0.000 0.402 1329 E N 1.160 121.394 120.200 0.057 0.000 2.435 1329 E HA -0.003 4.346 4.350 -0.002 0.000 0.195 1329 E C 0.395 177.023 176.600 0.047 0.000 1.029 1329 E CA 0.654 57.086 56.400 0.054 0.000 0.865 1329 E CB 0.252 29.987 29.700 0.058 0.000 0.833 1329 E HN 0.587 nan 8.360 nan 0.000 0.510 1330 N N 0.057 118.785 118.700 0.047 0.000 2.914 1330 N HA 0.157 4.896 4.740 -0.002 0.000 0.304 1330 N C 0.245 175.779 175.510 0.039 0.000 1.727 1330 N CA 0.572 53.647 53.050 0.042 0.000 0.986 1330 N CB 1.061 39.574 38.487 0.044 0.000 1.297 1330 N HN 0.279 nan 8.380 nan 0.000 0.490 1331 G N 0.607 109.428 108.800 0.036 0.000 4.655 1331 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.220 1331 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.220 1331 G C 0.229 175.149 174.900 0.032 0.000 1.403 1331 G CA -0.093 45.026 45.100 0.032 0.000 0.931 1331 G HN 0.397 nan 8.290 nan 0.000 0.654 1332 L N 2.094 123.339 121.223 0.037 0.000 2.558 1332 L HA 0.312 4.651 4.340 -0.002 0.000 0.301 1332 L C 1.529 178.420 176.870 0.035 0.000 1.267 1332 L CA 0.710 55.573 54.840 0.037 0.000 0.854 1332 L CB 0.304 42.392 42.059 0.048 0.000 1.103 1332 L HN 0.808 nan 8.230 nan 0.000 0.522 1333 S N 0.106 115.823 115.700 0.029 0.000 2.690 1333 S HA 0.179 4.648 4.470 -0.002 0.000 0.291 1333 S C 0.672 175.286 174.600 0.024 0.000 1.138 1333 S CA -0.709 57.505 58.200 0.023 0.000 1.013 1333 S CB 1.786 64.993 63.200 0.013 0.000 1.053 1333 S HN 0.722 nan 8.310 nan 0.000 0.539 1334 E N 0.086 120.296 120.200 0.017 0.000 2.110 1334 E HA -0.252 4.097 4.350 -0.002 0.000 0.193 1334 E C 1.889 178.482 176.600 -0.012 0.000 0.988 1334 E CA 1.352 57.758 56.400 0.010 0.000 0.804 1334 E CB -0.154 29.545 29.700 -0.001 0.000 0.745 1334 E HN 0.728 nan 8.360 nan 0.000 0.458 1335 Q N 1.000 120.788 119.800 -0.019 0.000 2.079 1335 Q HA -0.194 4.145 4.340 -0.002 0.000 0.200 1335 Q C 1.695 177.684 176.000 -0.018 0.000 0.974 1335 Q CA 2.207 57.991 55.803 -0.032 0.000 0.840 1335 Q CB -0.076 28.644 28.738 -0.030 0.000 0.898 1335 Q HN 0.524 nan 8.270 nan 0.000 0.430 1336 E N -1.271 118.928 120.200 -0.002 0.000 2.435 1336 E HA 0.020 4.369 4.350 -0.002 0.000 0.195 1336 E C 1.521 178.140 176.600 0.031 0.000 1.029 1336 E CA 0.652 57.055 56.400 0.005 0.000 0.865 1336 E CB -0.030 29.676 29.700 0.010 0.000 0.833 1336 E HN 0.341 nan 8.360 nan 0.000 0.510 1337 A N 2.032 124.880 122.820 0.047 0.000 1.861 1337 A HA -0.127 4.192 4.320 -0.002 0.000 0.212 1337 A C 2.161 179.827 177.584 0.137 0.000 1.199 1337 A CA 0.882 52.974 52.037 0.092 0.000 0.613 1337 A CB -0.393 18.665 19.000 0.096 0.000 0.846 1337 A HN 0.174 nan 8.150 nan 0.000 0.446 1338 Q N 0.081 119.937 119.800 0.093 0.000 2.376 1338 Q HA -0.168 4.172 4.340 -0.002 0.000 0.211 1338 Q C 1.619 177.761 176.000 0.236 0.000 0.986 1338 Q CA 1.428 57.284 55.803 0.088 0.000 0.886 1338 Q CB -0.212 28.370 28.738 -0.261 0.000 0.927 1338 Q HN 0.606 nan 8.270 nan 0.000 0.457 1339 K N 0.339 120.793 120.400 0.090 0.000 2.305 1339 K HA -0.003 4.316 4.320 -0.002 0.000 0.199 1339 K C 1.372 177.953 176.600 -0.032 0.000 1.047 1339 K CA 0.455 56.604 56.287 -0.231 0.000 0.976 1339 K CB 0.256 32.578 32.500 -0.296 0.000 0.765 1339 K HN 0.048 nan 8.250 nan 0.000 0.474 1340 K N 0.787 121.279 120.400 0.153 0.000 2.525 1340 K HA 0.090 4.409 4.320 -0.002 0.000 0.192 1340 K C 0.476 177.297 176.600 0.367 0.000 1.029 1340 K CA 0.543 56.972 56.287 0.238 0.000 1.029 1340 K CB 0.064 32.677 32.500 0.188 0.000 0.814 1340 K HN 0.189 nan 8.250 nan 0.000 0.503 1341 I N 0.352 121.189 120.570 0.444 0.000 2.436 1341 I HA 0.261 4.430 4.170 -0.002 0.000 0.289 1341 I C -0.776 175.641 176.117 0.500 0.000 1.010 1341 I CA -0.878 60.740 61.300 0.531 0.000 1.098 1341 I CB 1.112 39.452 38.000 0.567 0.000 1.266 1341 I HN -0.098 nan 8.210 nan 0.000 0.434 1345 D N 4.177 124.671 120.400 0.157 0.000 2.564 1345 D HA 0.214 4.853 4.640 -0.002 0.000 0.273 1345 D C 0.890 177.211 176.300 0.036 0.000 1.192 1345 D CA -0.362 53.715 54.000 0.127 0.000 1.080 1345 D CB 0.598 41.436 40.800 0.064 0.000 1.160 1345 D HN 0.605 nan 8.370 nan 0.000 0.607 1346 K N -1.077 119.261 120.400 -0.103 0.000 2.520 1346 K HA -0.163 4.156 4.320 -0.002 0.000 0.197 1346 K C 0.621 177.023 176.600 -0.330 0.000 1.043 1346 K CA 1.183 57.330 56.287 -0.233 0.000 0.944 1346 K CB -0.537 31.702 32.500 -0.435 0.000 0.770 1346 K HN 0.484 nan 8.250 nan 0.000 0.480 1347 Y N 0.605 120.872 120.300 -0.055 0.000 2.507 1347 Y HA 0.253 4.803 4.550 -0.002 0.000 0.254 1347 Y C 0.999 176.757 175.900 -0.236 0.000 1.171 1347 Y CA -0.264 57.779 58.100 -0.095 0.000 1.238 1347 Y CB 1.343 39.765 38.460 -0.064 0.000 1.148 1347 Y HN 0.380 nan 8.280 nan 0.000 0.525 1348 G N 0.766 109.285 108.800 -0.468 0.000 2.526 1348 G HA2 -0.195 3.765 3.960 -0.002 0.000 0.250 1348 G HA3 -0.195 3.765 3.960 -0.002 0.000 0.250 1348 G C -1.431 172.825 174.900 -1.074 0.000 1.289 1348 G CA -0.999 43.465 45.100 -1.060 0.000 0.947 1348 G HN 0.023 nan 8.290 nan 0.000 0.517 1349 L N 0.104 120.961 121.223 -0.609 0.000 2.499 1349 L HA 0.553 4.892 4.340 -0.002 0.000 0.273 1349 L C 0.633 177.528 176.870 0.042 0.000 1.195 1349 L CA -0.009 54.812 54.840 -0.033 0.000 0.882 1349 L CB 0.378 42.584 42.059 0.246 0.000 1.133 1349 L HN 0.489 nan 8.230 nan 0.000 0.483 1350 L N 6.899 128.200 121.223 0.129 0.000 2.363 1350 L HA 0.352 4.691 4.340 -0.002 0.000 0.286 1350 L C -0.273 176.645 176.870 0.080 0.000 1.106 1350 L CA -0.246 54.643 54.840 0.081 0.000 0.859 1350 L CB 0.398 42.502 42.059 0.075 0.000 1.223 1350 L HN 0.557 nan 8.230 nan 0.000 0.446 1351 V N 0.151 120.103 119.914 0.064 0.000 2.823 1351 V HA 0.519 4.638 4.120 -0.002 0.000 0.312 1351 V C -0.099 176.001 176.094 0.010 0.000 1.072 1351 V CA -1.399 60.935 62.300 0.058 0.000 0.937 1351 V CB 1.700 33.609 31.823 0.144 0.000 1.013 1351 V HN 0.539 nan 8.190 nan 0.000 0.430 1352 K N 2.298 122.692 120.400 -0.010 0.000 2.524 1352 K HA 0.391 4.710 4.320 -0.002 0.000 0.279 1352 K C 1.243 177.840 176.600 -0.004 0.000 0.993 1352 K CA 1.083 57.357 56.287 -0.020 0.000 1.030 1352 K CB 0.209 32.697 32.500 -0.020 0.000 0.891 1352 K HN 1.698 nan 8.250 nan 0.000 0.488 1353 G N 1.989 110.779 108.800 -0.017 0.000 2.162 1353 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.260 1353 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.260 1353 G C 0.155 175.048 174.900 -0.013 0.000 0.976 1353 G CA 0.758 45.850 45.100 -0.014 0.000 0.655 1353 G HN 0.744 nan 8.290 nan 0.000 0.533 1354 R N -0.342 120.150 120.500 -0.013 0.000 2.738 1354 R HA 0.629 4.968 4.340 -0.002 0.000 0.275 1354 R C 1.429 177.704 176.300 -0.042 0.000 1.121 1354 R CA 0.169 56.260 56.100 -0.016 0.000 1.207 1354 R CB 0.638 30.933 30.300 -0.008 0.000 1.141 1354 R HN 0.092 nan 8.270 nan 0.000 0.571 1355 K N 0.129 120.496 120.400 -0.055 0.000 2.062 1355 K HA -0.009 4.310 4.320 -0.002 0.000 0.205 1355 K C 0.754 177.269 176.600 -0.141 0.000 1.051 1355 K CA 1.204 57.439 56.287 -0.087 0.000 0.941 1355 K CB -0.136 32.310 32.500 -0.089 0.000 0.719 1355 K HN 0.693 nan 8.250 nan 0.000 0.440 1356 A N 2.470 125.181 122.820 -0.181 0.000 2.445 1356 A HA 0.053 4.372 4.320 -0.002 0.000 0.242 1356 A C -0.341 177.157 177.584 -0.144 0.000 1.075 1356 A CA -0.057 51.814 52.037 -0.276 0.000 0.777 1356 A CB 0.113 18.939 19.000 -0.290 0.000 1.013 1356 A HN 0.189 nan 8.150 nan 0.000 0.493 1357 K N 0.652 120.968 120.400 -0.139 0.000 2.397 1357 K HA 0.258 4.578 4.320 -0.002 0.000 0.265 1357 K C -0.636 175.946 176.600 -0.030 0.000 0.982 1357 K CA 0.219 56.464 56.287 -0.070 0.000 0.931 1357 K CB 0.310 32.778 32.500 -0.054 0.000 0.943 1357 K HN 0.439 nan 8.250 nan 0.000 0.501 1358 I N 3.252 123.803 120.570 -0.032 0.000 2.542 1358 I HA 0.023 4.192 4.170 -0.002 0.000 0.278 1358 I C -0.352 175.743 176.117 -0.036 0.000 1.069 1358 I CA -1.062 60.223 61.300 -0.025 0.000 1.100 1358 I CB 0.762 38.738 38.000 -0.040 0.000 1.204 1358 I HN 0.757 nan 8.210 nan 0.000 0.470 1359 D N 3.756 124.144 120.400 -0.020 0.000 2.354 1359 D HA -0.027 4.612 4.640 -0.002 0.000 0.238 1359 D C 1.283 177.531 176.300 -0.086 0.000 1.250 1359 D CA 0.045 54.026 54.000 -0.032 0.000 0.911 1359 D CB 0.746 41.556 40.800 0.017 0.000 1.163 1359 D HN 0.453 nan 8.370 nan 0.000 0.456 1360 S N -0.101 115.493 115.700 -0.176 0.000 2.383 1360 S HA -0.283 4.186 4.470 -0.002 0.000 0.229 1360 S C 2.000 176.398 174.600 -0.337 0.000 1.030 1360 S CA 1.000 59.018 58.200 -0.304 0.000 1.002 1360 S CB -1.129 61.801 63.200 -0.450 0.000 0.829 1360 S HN 0.610 nan 8.310 nan 0.000 0.467 1361 Y N 2.039 122.219 120.300 -0.201 0.000 2.373 1361 Y HA 0.072 4.621 4.550 -0.001 0.000 0.293 1361 Y C 2.856 178.721 175.900 -0.057 0.000 1.129 1361 Y CA 0.999 58.986 58.100 -0.189 0.000 1.226 1361 Y CB -0.501 37.695 38.460 -0.441 0.000 1.000 1361 Y HN 0.352 nan 8.280 nan 0.000 0.549 1362 Q N -0.244 119.598 119.800 0.069 0.000 2.269 1362 Q HA -0.133 4.206 4.340 -0.002 0.000 0.201 1362 Q C 2.151 178.163 176.000 0.022 0.000 0.946 1362 Q CA 0.503 56.361 55.803 0.092 0.000 0.877 1362 Q CB -0.005 28.753 28.738 0.033 0.000 0.963 1362 Q HN 0.394 nan 8.270 nan 0.000 0.472 1363 E N 1.493 121.653 120.200 -0.068 0.000 2.065 1363 E HA -0.204 4.145 4.350 -0.002 0.000 0.201 1363 E C -0.898 175.569 176.600 -0.223 0.000 1.016 1363 E CA 1.655 57.975 56.400 -0.134 0.000 0.818 1363 E CB -0.895 28.721 29.700 -0.140 0.000 0.749 1363 E HN 0.241 nan 8.360 nan 0.000 0.453 1364 P HA -0.112 nan 4.420 nan 0.000 0.223 1364 P C 0.415 177.198 177.300 -0.863 0.000 1.144 1364 P CA 1.166 63.929 63.100 -0.562 0.000 0.783 1364 P CB -0.239 31.055 31.700 -0.676 0.000 0.771 1365 F N -2.953 116.824 119.950 -0.289 0.000 2.688 1365 F HA 0.200 4.726 4.527 -0.001 0.000 0.310 1365 F C 0.553 175.899 175.800 -0.757 0.000 1.098 1365 F CA -0.066 57.648 58.000 -0.477 0.000 1.228 1365 F CB -0.198 38.668 39.000 -0.222 0.000 1.042 1365 F HN -0.380 nan 8.300 nan 0.000 0.557 1366 T N 1.797 116.051 114.554 -0.500 0.000 2.891 1366 T HA 0.227 4.576 4.350 -0.002 0.000 0.315 1366 T C -0.070 174.346 174.700 -0.473 0.000 1.054 1366 T CA -0.261 61.599 62.100 -0.400 0.000 0.958 1366 T CB -0.164 68.594 68.868 -0.183 0.000 1.008 1366 T HN 0.059 nan 8.240 nan 0.000 0.521 1367 H N 0.896 119.749 119.070 -0.362 0.000 2.499 1367 H HA 0.374 4.929 4.556 -0.001 0.000 0.352 1367 H C 0.602 175.831 175.328 -0.165 0.000 1.237 1367 H CA -0.876 54.957 56.048 -0.357 0.000 1.343 1367 H CB 0.690 30.041 29.762 -0.685 0.000 1.578 1367 H HN 0.376 nan 8.280 nan 0.000 0.577 1368 S N 0.554 116.304 115.700 0.082 0.000 2.537 1368 S HA 0.205 4.674 4.470 -0.002 0.000 0.286 1368 S C 0.515 175.234 174.600 0.197 0.000 1.299 1368 S CA -0.470 57.792 58.200 0.104 0.000 1.067 1368 S CB 0.216 63.469 63.200 0.088 0.000 0.864 1368 S HN 0.740 nan 8.310 nan 0.000 0.494 1369 A N 5.418 128.339 122.820 0.168 0.000 2.598 1369 A HA 0.243 4.562 4.320 -0.002 0.000 0.239 1369 A C -1.779 175.934 177.584 0.214 0.000 1.032 1369 A CA -0.583 51.577 52.037 0.206 0.000 0.760 1369 A CB -0.709 18.366 19.000 0.125 0.000 0.946 1369 A HN 0.539 nan 8.150 nan 0.000 0.512 1370 P HA 0.193 nan 4.420 nan 0.000 0.277 1370 P C 0.848 178.195 177.300 0.079 0.000 1.276 1370 P CA -0.429 62.757 63.100 0.144 0.000 0.788 1370 P CB 0.486 32.211 31.700 0.043 0.000 1.114 1371 E N -0.570 119.657 120.200 0.044 0.000 2.130 1371 E HA -0.103 4.246 4.350 -0.002 0.000 0.196 1371 E C -0.068 176.546 176.600 0.023 0.000 0.998 1371 E CA 1.545 57.962 56.400 0.028 0.000 0.806 1371 E CB -0.214 29.492 29.700 0.010 0.000 0.738 1371 E HN 0.288 nan 8.360 nan 0.000 0.459 1372 S N -0.762 114.947 115.700 0.016 0.000 2.568 1372 S HA 0.464 4.933 4.470 -0.002 0.000 0.293 1372 S C -0.664 173.954 174.600 0.031 0.000 1.089 1372 S CA -0.823 57.387 58.200 0.016 0.000 0.945 1372 S CB 1.547 64.746 63.200 -0.001 0.000 1.077 1372 S HN 0.042 nan 8.310 nan 0.000 0.485 1373 I N 3.219 123.815 120.570 0.043 0.000 2.291 1373 I HA 0.298 4.467 4.170 -0.002 0.000 0.290 1373 I C -2.324 173.838 176.117 0.075 0.000 1.050 1373 I CA -2.617 58.722 61.300 0.065 0.000 1.245 1373 I CB 0.038 38.077 38.000 0.064 0.000 1.405 1373 I HN 0.313 nan 8.210 nan 0.000 0.478 1374 P HA -0.026 nan 4.420 nan 0.000 0.256 1374 P C 0.592 178.015 177.300 0.206 0.000 1.173 1374 P CA 0.416 63.597 63.100 0.136 0.000 0.768 1374 P CB 0.724 32.537 31.700 0.190 0.000 0.758 1375 D N 2.075 122.569 120.400 0.156 0.000 2.137 1375 D HA -0.073 4.566 4.640 -0.002 0.000 0.202 1375 D C 0.622 177.080 176.300 0.264 0.000 0.970 1375 D CA 1.226 55.327 54.000 0.168 0.000 0.837 1375 D CB 0.340 41.202 40.800 0.103 0.000 0.981 1375 D HN 0.454 nan 8.370 nan 0.000 0.475 1376 T N -4.202 110.487 114.554 0.225 0.000 2.888 1376 T HA 0.235 4.584 4.350 -0.002 0.000 0.288 1376 T C 0.552 175.232 174.700 -0.033 0.000 1.063 1376 T CA -0.807 61.416 62.100 0.206 0.000 1.010 1376 T CB 0.543 69.473 68.868 0.104 0.000 1.214 1376 T HN -0.046 nan 8.240 nan 0.000 0.533 1377 F N 0.576 120.252 119.950 -0.456 0.000 2.293 1377 F HA 0.100 4.626 4.527 -0.001 0.000 0.300 1377 F C 2.350 177.942 175.800 -0.347 0.000 1.086 1377 F CA 1.601 59.150 58.000 -0.751 0.000 1.375 1377 F CB -0.138 38.464 39.000 -0.664 0.000 1.045 1377 F HN 0.873 nan 8.300 nan 0.000 0.516 1378 E N -0.082 119.992 120.200 -0.209 0.000 2.072 1378 E HA -0.207 4.142 4.350 -0.002 0.000 0.191 1378 E C 1.724 178.170 176.600 -0.256 0.000 0.985 1378 E CA 1.503 57.774 56.400 -0.215 0.000 0.801 1378 E CB -0.156 29.495 29.700 -0.081 0.000 0.750 1378 E HN 0.369 nan 8.360 nan 0.000 0.452 1379 D N 0.509 120.803 120.400 -0.175 0.000 2.097 1379 D HA -0.164 4.475 4.640 -0.002 0.000 0.195 1379 D C 1.890 178.074 176.300 -0.194 0.000 0.989 1379 D CA 1.366 55.286 54.000 -0.132 0.000 0.827 1379 D CB -0.341 40.435 40.800 -0.039 0.000 0.966 1379 D HN 0.285 nan 8.370 nan 0.000 0.456 1380 A N 0.883 123.554 122.820 -0.248 0.000 1.986 1380 A HA -0.163 4.156 4.320 -0.002 0.000 0.220 1380 A C 2.536 179.878 177.584 -0.403 0.000 1.171 1380 A CA 1.319 53.193 52.037 -0.272 0.000 0.640 1380 A CB -0.651 18.209 19.000 -0.233 0.000 0.811 1380 A HN 0.174 nan 8.150 nan 0.000 0.451 1381 V N 0.648 120.249 119.914 -0.522 0.000 2.453 1381 V HA -0.210 3.910 4.120 -0.002 0.000 0.247 1381 V C 2.214 178.132 176.094 -0.293 0.000 1.048 1381 V CA 1.916 63.944 62.300 -0.453 0.000 1.049 1381 V CB -0.863 30.668 31.823 -0.487 0.000 0.672 1381 V HN 0.564 nan 8.190 nan 0.000 0.457 1382 N N 0.203 118.759 118.700 -0.240 0.000 2.135 1382 N HA -0.050 4.689 4.740 -0.002 0.000 0.186 1382 N C 1.754 177.165 175.510 -0.166 0.000 1.027 1382 N CA 1.314 54.260 53.050 -0.174 0.000 0.849 1382 N CB -0.193 38.214 38.487 -0.134 0.000 1.002 1382 N HN 0.331 nan 8.380 nan 0.000 0.425 1383 I N 1.209 121.675 120.570 -0.172 0.000 2.113 1383 I HA -0.206 3.963 4.170 -0.002 0.000 0.238 1383 I C 1.942 177.927 176.117 -0.220 0.000 1.070 1383 I CA 1.030 62.231 61.300 -0.166 0.000 1.332 1383 I CB -0.670 37.239 38.000 -0.151 0.000 1.044 1383 I HN 0.007 nan 8.210 nan 0.000 0.402 1384 L N 0.010 121.050 121.223 -0.306 0.000 2.217 1384 L HA -0.022 4.318 4.340 -0.002 0.000 0.211 1384 L C 0.812 177.511 176.870 -0.285 0.000 1.107 1384 L CA 0.630 55.228 54.840 -0.403 0.000 0.783 1384 L CB -1.029 40.665 42.059 -0.608 0.000 0.919 1384 L HN 0.210 nan 8.230 nan 0.000 0.442 1385 K N -0.139 120.118 120.400 -0.238 0.000 3.451 1385 K HA -0.160 4.159 4.320 -0.002 0.000 0.273 1385 K C -2.199 174.305 176.600 -0.161 0.000 0.944 1385 K CA 0.024 56.201 56.287 -0.183 0.000 0.734 1385 K CB -1.521 30.894 32.500 -0.141 0.000 1.437 1385 K HN 0.301 nan 8.250 nan 0.000 0.454 1386 P HA 0.004 nan 4.420 nan 0.000 0.274 1386 P C 0.432 177.672 177.300 -0.100 0.000 1.237 1386 P CA -0.135 62.897 63.100 -0.114 0.000 0.793 1386 P CB 1.421 33.051 31.700 -0.117 0.000 0.977 1387 S N -0.499 115.169 115.700 -0.053 0.000 2.511 1387 S HA 0.131 4.600 4.470 -0.002 0.000 0.214 1387 S C 0.450 175.036 174.600 -0.023 0.000 0.997 1387 S CA 0.115 58.275 58.200 -0.067 0.000 0.908 1387 S CB -0.324 62.800 63.200 -0.128 0.000 0.803 1387 S HN 0.491 nan 8.310 nan 0.000 0.504 1388 T N 2.180 116.721 114.554 -0.022 0.000 2.937 1388 T HA 0.590 4.939 4.350 -0.002 0.000 0.297 1388 T C -1.532 173.059 174.700 -0.181 0.000 0.991 1388 T CA -0.322 61.704 62.100 -0.123 0.000 0.990 1388 T CB 1.676 70.442 68.868 -0.170 0.000 0.991 1388 T HN 0.219 nan 8.240 nan 0.000 0.440 1389 I N 3.977 124.432 120.570 -0.191 0.000 2.378 1389 I HA 0.589 4.758 4.170 -0.002 0.000 0.291 1389 I C -1.172 174.952 176.117 0.011 0.000 0.992 1389 I CA -0.924 60.312 61.300 -0.106 0.000 1.154 1389 I CB 0.777 38.638 38.000 -0.232 0.000 1.315 1389 I HN 0.619 nan 8.210 nan 0.000 0.448 1390 I N 7.193 127.791 120.570 0.046 0.000 2.410 1390 I HA 0.481 4.650 4.170 -0.002 0.000 0.286 1390 I C 0.251 176.551 176.117 0.305 0.000 1.009 1390 I CA -0.575 60.797 61.300 0.121 0.000 1.111 1390 I CB 1.781 39.640 38.000 -0.236 0.000 1.262 1390 I HN 0.665 nan 8.210 nan 0.000 0.443 1391 G N 4.460 113.373 108.800 0.189 0.000 2.335 1391 G HA2 0.514 4.473 3.960 -0.002 0.000 0.316 1391 G HA3 0.514 4.473 3.960 -0.002 0.000 0.316 1391 G C -0.695 174.153 174.900 -0.086 0.000 1.129 1391 G CA -0.347 44.633 45.100 -0.201 0.000 0.899 1391 G HN 0.430 nan 8.290 nan 0.000 0.448 1392 V N 1.908 121.812 119.914 -0.018 0.000 3.535 1392 V HA 0.551 4.670 4.120 -0.002 0.000 0.439 1392 V C 0.412 176.510 176.094 0.006 0.000 1.462 1392 V CA 0.395 62.705 62.300 0.018 0.000 1.966 1392 V CB 0.368 32.257 31.823 0.110 0.000 1.026 1392 V HN 1.091 nan 8.190 nan 0.000 0.579 1393 A N 1.578 124.368 122.820 -0.049 0.000 2.469 1393 A HA 0.619 4.938 4.320 -0.002 0.000 0.245 1393 A C 1.690 179.247 177.584 -0.046 0.000 1.221 1393 A CA 0.476 52.492 52.037 -0.036 0.000 0.946 1393 A CB 0.077 19.048 19.000 -0.048 0.000 1.049 1393 A HN 1.934 nan 8.150 nan 0.000 0.529 1394 G N -0.411 108.355 108.800 -0.056 0.000 2.450 1394 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.302 1394 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.302 1394 G C 0.765 175.638 174.900 -0.046 0.000 0.957 1394 G CA 0.647 45.718 45.100 -0.049 0.000 1.005 1394 G HN 1.533 nan 8.290 nan 0.000 0.514 1395 A N -1.182 121.604 122.820 -0.057 0.000 2.508 1395 A HA 0.745 5.064 4.320 -0.002 0.000 0.250 1395 A C 1.619 179.180 177.584 -0.037 0.000 1.208 1395 A CA 1.366 53.378 52.037 -0.043 0.000 0.960 1395 A CB 0.483 19.459 19.000 -0.040 0.000 1.099 1395 A HN 2.524 nan 8.150 nan 0.000 0.542 1396 G N -0.375 108.396 108.800 -0.048 0.000 2.362 1396 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.517 1396 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.517 1396 G C -0.867 174.012 174.900 -0.034 0.000 1.256 1396 G CA -0.967 44.116 45.100 -0.028 0.000 1.027 1396 G HN 0.173 nan 8.290 nan 0.000 0.491 1397 R N 0.614 121.115 120.500 0.002 0.000 3.572 1397 R HA 0.157 4.496 4.340 -0.002 0.000 0.186 1397 R C 0.933 177.256 176.300 0.038 0.000 1.727 1397 R CA -0.043 56.072 56.100 0.024 0.000 1.267 1397 R CB -0.757 29.567 30.300 0.039 0.000 1.318 1397 R HN 0.321 nan 8.270 nan 0.000 0.718 1398 L N -0.126 121.107 121.223 0.017 0.000 2.554 1398 L HA 0.187 4.527 4.340 -0.002 0.000 0.225 1398 L C 0.867 177.890 176.870 0.255 0.000 1.104 1398 L CA 0.699 55.576 54.840 0.061 0.000 0.866 1398 L CB -0.035 41.997 42.059 -0.046 0.000 1.047 1398 L HN 0.328 nan 8.230 nan 0.000 0.468 1399 F N 1.194 121.130 119.950 -0.023 0.000 2.660 1399 F HA 0.115 4.641 4.527 -0.001 0.000 0.342 1399 F C 1.189 177.008 175.800 0.032 0.000 1.195 1399 F CA -0.903 57.115 58.000 0.032 0.000 1.300 1399 F CB -0.145 38.886 39.000 0.050 0.000 1.616 1399 F HN 0.030 nan 8.300 nan 0.000 0.592 1400 T N -1.584 113.086 114.554 0.193 0.000 2.795 1400 T HA 0.018 4.367 4.350 -0.002 0.000 0.314 1400 T C -1.601 173.133 174.700 0.058 0.000 1.069 1400 T CA -1.314 60.846 62.100 0.101 0.000 1.071 1400 T CB 0.998 69.912 68.868 0.077 0.000 0.988 1400 T HN 0.083 nan 8.240 nan 0.000 0.543 1401 P HA -0.161 nan 4.420 nan 0.000 0.215 1401 P C 1.361 178.655 177.300 -0.010 0.000 1.163 1401 P CA 1.497 64.598 63.100 0.003 0.000 0.894 1401 P CB -0.059 31.642 31.700 0.001 0.000 0.791 1402 D N -0.752 119.644 120.400 -0.006 0.000 2.104 1402 D HA -0.122 4.517 4.640 -0.002 0.000 0.194 1402 D C 1.996 178.271 176.300 -0.043 0.000 0.994 1402 D CA 1.267 55.254 54.000 -0.022 0.000 0.830 1402 D CB -0.637 40.155 40.800 -0.015 0.000 0.959 1402 D HN 0.012 nan 8.370 nan 0.000 0.452 1403 V N 1.853 121.751 119.914 -0.028 0.000 2.332 1403 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 1403 V C 2.542 178.572 176.094 -0.106 0.000 1.055 1403 V CA 1.299 63.560 62.300 -0.065 0.000 1.038 1403 V CB -0.398 31.433 31.823 0.013 0.000 0.651 1403 V HN 0.196 nan 8.190 nan 0.000 0.450 1404 I N -0.640 119.888 120.570 -0.069 0.000 2.252 1404 I HA -0.201 3.968 4.170 -0.002 0.000 0.245 1404 I C 2.724 178.792 176.117 -0.083 0.000 1.102 1404 I CA 1.407 62.658 61.300 -0.082 0.000 1.385 1404 I CB -0.505 37.463 38.000 -0.053 0.000 1.064 1404 I HN 0.233 nan 8.210 nan 0.000 0.414 1405 R N 1.362 121.822 120.500 -0.066 0.000 2.073 1405 R HA -0.000 4.339 4.340 -0.002 0.000 0.234 1405 R C 1.494 177.749 176.300 -0.075 0.000 1.134 1405 R CA 0.929 56.992 56.100 -0.061 0.000 0.952 1405 R CB -0.555 29.717 30.300 -0.047 0.000 0.850 1405 R HN 0.312 nan 8.270 nan 0.000 0.433 1409 S N 0.586 116.246 115.700 -0.066 0.000 2.382 1409 S HA -0.041 4.428 4.470 -0.002 0.000 0.228 1409 S C 1.671 176.232 174.600 -0.066 0.000 1.027 1409 S CA 1.673 59.837 58.200 -0.059 0.000 0.991 1409 S CB -0.398 62.767 63.200 -0.059 0.000 0.823 1409 S HN 0.503 nan 8.310 nan 0.000 0.469 1410 I N 0.926 121.447 120.570 -0.081 0.000 2.761 1410 I HA 0.008 4.177 4.170 -0.002 0.000 0.261 1410 I C 0.452 176.519 176.117 -0.084 0.000 1.198 1410 I CA 0.587 61.835 61.300 -0.087 0.000 1.482 1410 I CB -0.050 37.885 38.000 -0.108 0.000 1.100 1410 I HN 0.209 nan 8.210 nan 0.000 0.445 1411 N N -0.102 118.549 118.700 -0.082 0.000 2.321 1411 N HA 0.135 4.874 4.740 -0.002 0.000 0.290 1411 N C 0.383 175.854 175.510 -0.065 0.000 1.212 1411 N CA -0.324 52.678 53.050 -0.080 0.000 0.767 1411 N CB 2.402 40.834 38.487 -0.091 0.000 1.494 1411 N HN -0.153 nan 8.380 nan 0.000 0.479 1412 E N 0.489 120.653 120.200 -0.060 0.000 2.057 1412 E HA 0.117 4.466 4.350 -0.002 0.000 0.190 1412 E C -0.287 176.289 176.600 -0.040 0.000 0.969 1412 E CA 1.235 57.608 56.400 -0.043 0.000 0.812 1412 E CB 0.429 30.106 29.700 -0.038 0.000 0.777 1412 E HN 0.280 nan 8.360 nan 0.000 0.455 1413 R N 1.480 121.952 120.500 -0.047 0.000 2.587 1413 R HA 0.337 4.676 4.340 -0.002 0.000 0.283 1413 R C -2.461 173.810 176.300 -0.048 0.000 1.472 1413 R CA -2.136 53.942 56.100 -0.036 0.000 1.578 1413 R CB 0.583 30.871 30.300 -0.020 0.000 1.130 1413 R HN 0.229 nan 8.270 nan 0.000 0.602 1414 P HA 0.126 nan 4.420 nan 0.000 0.275 1414 P C -0.101 177.169 177.300 -0.051 0.000 1.227 1414 P CA -0.270 62.789 63.100 -0.068 0.000 0.781 1414 P CB 1.451 33.101 31.700 -0.084 0.000 0.906 1415 V N 5.284 125.154 119.914 -0.073 0.000 2.383 1415 V HA 0.291 4.410 4.120 -0.002 0.000 0.275 1415 V C 0.582 176.589 176.094 -0.144 0.000 1.036 1415 V CA -0.287 61.935 62.300 -0.130 0.000 0.889 1415 V CB 0.535 32.200 31.823 -0.265 0.000 0.985 1415 V HN 0.383 nan 8.190 nan 0.000 0.459 1416 I N 5.889 126.481 120.570 0.038 0.000 2.448 1416 I HA 0.431 4.600 4.170 -0.002 0.000 0.281 1416 I C -1.165 175.244 176.117 0.487 0.000 1.027 1416 I CA -0.251 61.180 61.300 0.219 0.000 1.111 1416 I CB 1.364 39.537 38.000 0.288 0.000 1.236 1416 I HN 0.340 nan 8.210 nan 0.000 0.452 1417 F N 4.732 124.757 119.950 0.126 0.000 2.375 1417 F HA 0.544 5.070 4.527 -0.001 0.000 0.361 1417 F C 0.537 176.343 175.800 0.009 0.000 1.117 1417 F CA -1.690 56.288 58.000 -0.037 0.000 1.037 1417 F CB 1.840 40.828 39.000 -0.020 0.000 1.192 1417 F HN 0.428 nan 8.300 nan 0.000 0.452 1418 A N 5.627 128.454 122.820 0.011 0.000 2.801 1418 A HA 0.523 4.842 4.320 -0.002 0.000 0.344 1418 A C 0.571 178.105 177.584 -0.082 0.000 1.322 1418 A CA -0.302 51.669 52.037 -0.109 0.000 0.913 1418 A CB -0.363 18.654 19.000 0.028 0.000 1.140 1418 A HN 0.806 nan 8.150 nan 0.000 0.487 1419 L N 0.618 121.803 121.223 -0.062 0.000 2.554 1419 L HA 0.037 4.376 4.340 -0.002 0.000 0.226 1419 L C 0.881 177.727 176.870 -0.040 0.000 1.137 1419 L CA 0.083 54.896 54.840 -0.045 0.000 0.863 1419 L CB -0.282 41.780 42.059 0.005 0.000 0.985 1419 L HN 0.482 nan 8.230 nan 0.000 0.451 1420 S N 1.061 116.726 115.700 -0.060 0.000 2.560 1420 S HA 0.148 4.618 4.470 -0.002 0.000 0.284 1420 S C 0.148 174.717 174.600 -0.052 0.000 1.327 1420 S CA -0.188 57.978 58.200 -0.056 0.000 1.055 1420 S CB 0.320 63.473 63.200 -0.079 0.000 0.868 1420 S HN 0.284 nan 8.310 nan 0.000 0.506 1421 N N 2.646 121.310 118.700 -0.060 0.000 2.265 1421 N HA 0.532 5.271 4.740 -0.002 0.000 0.300 1421 N C -2.687 172.777 175.510 -0.077 0.000 1.148 1421 N CA -1.486 51.514 53.050 -0.084 0.000 0.772 1421 N CB 1.824 40.242 38.487 -0.114 0.000 1.434 1421 N HN 0.285 nan 8.380 nan 0.000 0.481 1422 P HA 0.173 nan 4.420 nan 0.000 0.312 1422 P C 0.542 177.791 177.300 -0.085 0.000 1.308 1422 P CA -0.036 63.001 63.100 -0.105 0.000 0.743 1422 P CB 0.425 32.063 31.700 -0.104 0.000 1.364 1423 T N 0.401 114.891 114.554 -0.107 0.000 2.624 1423 T HA -0.262 4.087 4.350 -0.002 0.000 0.266 1423 T C 1.866 176.570 174.700 0.006 0.000 1.050 1423 T CA 2.801 64.849 62.100 -0.087 0.000 1.163 1423 T CB -1.300 67.504 68.868 -0.107 0.000 0.861 1423 T HN 0.560 nan 8.240 nan 0.000 0.443 1424 A N 0.291 123.110 122.820 -0.001 0.000 2.172 1424 A HA -0.027 4.292 4.320 -0.002 0.000 0.216 1424 A C 2.049 179.641 177.584 0.012 0.000 1.154 1424 A CA 1.121 53.170 52.037 0.019 0.000 0.701 1424 A CB -0.334 18.669 19.000 0.006 0.000 0.789 1424 A HN 0.451 nan 8.150 nan 0.000 0.465 1425 Q N -0.838 118.959 119.800 -0.005 0.000 2.247 1425 Q HA 0.468 4.807 4.340 -0.002 0.000 0.211 1425 Q C 0.650 176.636 176.000 -0.024 0.000 0.861 1425 Q CA 0.499 56.291 55.803 -0.019 0.000 0.949 1425 Q CB 0.351 29.069 28.738 -0.033 0.000 1.115 1425 Q HN 0.569 nan 8.270 nan 0.000 0.507 1426 A N 0.441 123.269 122.820 0.014 0.000 2.466 1426 A HA 0.058 4.377 4.320 -0.002 0.000 0.238 1426 A C 0.715 178.292 177.584 -0.011 0.000 1.074 1426 A CA -0.122 51.935 52.037 0.033 0.000 0.774 1426 A CB 0.426 19.540 19.000 0.189 0.000 1.015 1426 A HN 0.155 nan 8.150 nan 0.000 0.498 1427 E N -0.524 119.598 120.200 -0.130 0.000 2.150 1427 E HA 0.016 4.365 4.350 -0.002 0.000 0.193 1427 E C 0.605 177.199 176.600 -0.009 0.000 0.985 1427 E CA 1.564 57.811 56.400 -0.255 0.000 0.814 1427 E CB -0.268 28.844 29.700 -0.980 0.000 0.752 1427 E HN 0.878 nan 8.360 nan 0.000 0.466 1428 C N -2.661 116.704 119.300 0.108 0.000 3.306 1428 C HA 0.701 5.160 4.460 -0.002 0.000 0.335 1428 C C 0.057 175.084 174.990 0.061 0.000 1.382 1428 C CA -0.716 58.372 59.018 0.116 0.000 1.254 1428 C CB 1.045 28.888 27.740 0.171 0.000 1.555 1428 C HN 0.256 nan 8.230 nan 0.000 0.463 1429 T N -0.646 113.794 114.554 -0.189 0.000 2.902 1429 T HA 0.634 4.983 4.350 -0.002 0.000 0.280 1429 T C 1.200 175.309 174.700 -0.985 0.000 0.992 1429 T CA 0.181 61.870 62.100 -0.684 0.000 1.015 1429 T CB 1.381 69.965 68.868 -0.473 0.000 1.044 1429 T HN 2.025 nan 8.240 nan 0.000 0.520 1430 A N 0.063 122.052 122.820 -1.386 0.000 1.933 1430 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 1430 A C 2.273 179.566 177.584 -0.485 0.000 1.175 1430 A CA 1.769 53.204 52.037 -1.004 0.000 0.628 1430 A CB -1.041 17.793 19.000 -0.278 0.000 0.814 1430 A HN 1.021 nan 8.150 nan 0.000 0.444 1431 E N -0.184 119.818 120.200 -0.330 0.000 2.028 1431 E HA -0.209 4.140 4.350 -0.002 0.000 0.191 1431 E C 1.935 178.442 176.600 -0.156 0.000 0.988 1431 E CA 1.229 57.557 56.400 -0.120 0.000 0.799 1431 E CB -0.164 29.489 29.700 -0.079 0.000 0.755 1431 E HN 0.727 nan 8.360 nan 0.000 0.447 1432 E N 0.119 120.185 120.200 -0.223 0.000 2.097 1432 E HA -0.247 4.102 4.350 -0.002 0.000 0.196 1432 E C 1.964 178.441 176.600 -0.206 0.000 1.000 1432 E CA 1.212 57.510 56.400 -0.170 0.000 0.804 1432 E CB -0.152 29.461 29.700 -0.145 0.000 0.740 1432 E HN 0.330 nan 8.360 nan 0.000 0.454 1433 A N 0.160 122.747 122.820 -0.388 0.000 1.897 1433 A HA -0.138 4.181 4.320 -0.002 0.000 0.215 1433 A C 1.838 179.181 177.584 -0.401 0.000 1.181 1433 A CA 1.046 52.819 52.037 -0.440 0.000 0.620 1433 A CB -0.642 17.897 19.000 -0.770 0.000 0.821 1433 A HN 0.274 nan 8.150 nan 0.000 0.443 1434 Y N 0.792 120.908 120.300 -0.307 0.000 2.184 1434 Y HA -0.187 4.362 4.550 -0.002 0.000 0.290 1434 Y C 3.223 179.042 175.900 -0.136 0.000 1.129 1434 Y CA 1.795 59.747 58.100 -0.246 0.000 1.144 1434 Y CB -0.432 37.908 38.460 -0.200 0.000 0.995 1434 Y HN 0.506 nan 8.280 nan 0.000 0.513 1435 T N -1.672 112.920 114.554 0.063 0.000 2.777 1435 T HA -0.166 4.183 4.350 -0.002 0.000 0.266 1435 T C 1.671 176.373 174.700 0.003 0.000 1.040 1435 T CA 1.061 63.187 62.100 0.044 0.000 1.141 1435 T CB -0.701 68.183 68.868 0.026 0.000 0.868 1435 T HN 0.092 nan 8.240 nan 0.000 0.444 1436 L N 2.555 123.757 121.223 -0.035 0.000 2.456 1436 L HA 0.153 4.492 4.340 -0.002 0.000 0.224 1436 L C 2.339 179.181 176.870 -0.046 0.000 1.148 1436 L CA 1.625 56.440 54.840 -0.041 0.000 0.825 1436 L CB -0.676 41.350 42.059 -0.055 0.000 0.937 1436 L HN 0.724 nan 8.230 nan 0.000 0.450 1437 T N -5.773 108.749 114.554 -0.054 0.000 3.182 1437 T HA 0.207 4.556 4.350 -0.002 0.000 0.277 1437 T C 0.548 175.231 174.700 -0.028 0.000 1.013 1437 T CA -0.269 61.798 62.100 -0.056 0.000 0.900 1437 T CB -0.215 68.598 68.868 -0.092 0.000 1.098 1437 T HN 0.287 nan 8.240 nan 0.000 0.543 1438 E N 0.770 120.972 120.200 0.003 0.000 2.403 1438 E HA -0.215 4.134 4.350 -0.002 0.000 0.241 1438 E C 0.984 177.623 176.600 0.064 0.000 1.201 1438 E CA 0.597 57.021 56.400 0.041 0.000 0.721 1438 E CB -1.821 27.897 29.700 0.030 0.000 1.245 1438 E HN 1.039 nan 8.360 nan 0.000 0.392 1439 G N -0.319 108.491 108.800 0.015 0.000 2.176 1439 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.252 1439 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.252 1439 G C 0.601 175.384 174.900 -0.196 0.000 1.024 1439 G CA 0.599 45.596 45.100 -0.172 0.000 0.755 1439 G HN 0.405 nan 8.290 nan 0.000 0.507 1440 R N -0.808 119.633 120.500 -0.098 0.000 2.308 1440 R HA 0.214 4.553 4.340 -0.002 0.000 0.202 1440 R C 2.003 178.261 176.300 -0.070 0.000 0.898 1440 R CA 0.540 56.605 56.100 -0.058 0.000 1.046 1440 R CB 0.060 30.344 30.300 -0.027 0.000 1.026 1440 R HN 0.801 nan 8.270 nan 0.000 0.512 1441 C N 0.482 119.716 119.300 -0.111 0.000 2.657 1441 C HA 0.412 4.871 4.460 -0.002 0.000 0.404 1441 C C 0.473 175.435 174.990 -0.045 0.000 1.291 1441 C CA -1.110 57.847 59.018 -0.102 0.000 2.218 1441 C CB -0.277 27.355 27.740 -0.181 0.000 2.687 1441 C HN 0.227 nan 8.230 nan 0.000 0.634 1442 L N 3.450 124.694 121.223 0.035 0.000 2.301 1442 L HA 0.448 4.787 4.340 -0.002 0.000 0.278 1442 L C -0.168 176.851 176.870 0.247 0.000 1.022 1442 L CA -0.071 54.850 54.840 0.136 0.000 0.854 1442 L CB 0.226 42.353 42.059 0.114 0.000 1.226 1442 L HN 0.754 nan 8.230 nan 0.000 0.429 1443 F N 3.093 123.067 119.950 0.040 0.000 2.432 1443 F HA 0.833 5.359 4.527 -0.002 0.000 0.329 1443 F C -0.043 175.845 175.800 0.146 0.000 1.076 1443 F CA -0.483 57.549 58.000 0.054 0.000 1.018 1443 F CB 1.638 40.435 39.000 -0.339 0.000 1.201 1443 F HN 0.416 nan 8.300 nan 0.000 0.489 1444 A N 2.631 124.929 122.820 -0.870 0.000 2.566 1444 A HA 0.657 4.976 4.320 -0.002 0.000 0.297 1444 A C -1.402 175.565 177.584 -1.029 0.000 1.059 1444 A CA -0.172 51.420 52.037 -0.740 0.000 0.691 1444 A CB 1.110 19.566 19.000 -0.907 0.000 1.282 1444 A HN 1.073 nan 8.150 nan 0.000 0.401 1445 S N 0.126 115.542 115.700 -0.473 0.000 2.632 1445 S HA 0.742 5.211 4.470 -0.002 0.000 0.289 1445 S C 0.870 175.416 174.600 -0.090 0.000 1.115 1445 S CA -0.051 58.031 58.200 -0.197 0.000 0.889 1445 S CB 1.414 64.793 63.200 0.299 0.000 1.116 1445 S HN 1.822 nan 8.310 nan 0.000 0.486 1446 G N 0.717 109.483 108.800 -0.056 0.000 2.396 1446 G HA2 0.194 4.153 3.960 -0.002 0.000 0.214 1446 G HA3 0.194 4.153 3.960 -0.002 0.000 0.214 1446 G C 0.354 175.207 174.900 -0.077 0.000 1.166 1446 G CA 0.296 45.359 45.100 -0.060 0.000 0.793 1446 G HN 0.713 nan 8.290 nan 0.000 0.533 1447 S N 1.333 116.956 115.700 -0.128 0.000 2.654 1447 S HA 0.523 4.992 4.470 -0.002 0.000 0.283 1447 S C -2.513 171.921 174.600 -0.278 0.000 1.180 1447 S CA -1.044 57.025 58.200 -0.218 0.000 1.021 1447 S CB 2.198 65.222 63.200 -0.293 0.000 1.018 1447 S HN 0.111 nan 8.310 nan 0.000 0.532 1448 P HA 0.279 nan 4.420 nan 0.000 0.271 1448 P C -1.292 175.835 177.300 -0.288 0.000 1.216 1448 P CA 0.023 63.044 63.100 -0.133 0.000 0.776 1448 P CB 0.187 31.862 31.700 -0.041 0.000 0.881 1449 F N 0.500 120.539 119.950 0.148 0.000 2.561 1449 F HA 0.427 4.953 4.527 -0.001 0.000 0.313 1449 F C 1.114 177.002 175.800 0.147 0.000 1.126 1449 F CA -0.751 57.344 58.000 0.158 0.000 0.918 1449 F CB 2.182 41.320 39.000 0.229 0.000 1.199 1449 F HN 0.314 nan 8.300 nan 0.000 0.444 1450 G N 2.778 111.775 108.800 0.330 0.000 2.569 1450 G HA2 0.425 4.384 3.960 -0.002 0.000 0.249 1450 G HA3 0.425 4.384 3.960 -0.002 0.000 0.249 1450 G C -2.666 172.352 174.900 0.195 0.000 1.216 1450 G CA -1.177 44.050 45.100 0.211 0.000 0.845 1450 G HN 0.305 nan 8.290 nan 0.000 0.568 1451 P HA 0.118 nan 4.420 nan 0.000 0.266 1451 P C -0.406 176.931 177.300 0.061 0.000 1.186 1451 P CA -0.134 63.020 63.100 0.090 0.000 0.767 1451 P CB 0.679 32.409 31.700 0.050 0.000 0.820 1452 V N 3.397 123.321 119.914 0.017 0.000 2.459 1452 V HA 0.353 4.472 4.120 -0.002 0.000 0.295 1452 V C 0.178 176.254 176.094 -0.031 0.000 1.029 1452 V CA -0.403 61.902 62.300 0.009 0.000 0.874 1452 V CB 1.554 33.393 31.823 0.027 0.000 0.985 1452 V HN 0.417 nan 8.190 nan 0.000 0.438 1453 K N 5.053 125.444 120.400 -0.015 0.000 2.358 1453 K HA 0.632 4.951 4.320 -0.002 0.000 0.260 1453 K C -1.039 175.558 176.600 -0.005 0.000 0.956 1453 K CA -0.590 55.672 56.287 -0.042 0.000 0.834 1453 K CB 1.198 33.675 32.500 -0.039 0.000 1.102 1453 K HN 0.591 nan 8.250 nan 0.000 0.431 1454 L N 2.715 123.937 121.223 -0.002 0.000 2.421 1454 L HA 0.188 4.527 4.340 -0.002 0.000 0.263 1454 L C 1.951 178.827 176.870 0.011 0.000 1.122 1454 L CA -0.428 54.434 54.840 0.038 0.000 0.804 1454 L CB 1.274 43.391 42.059 0.096 0.000 1.150 1454 L HN 0.865 nan 8.230 nan 0.000 0.457 1455 T N -2.982 111.584 114.554 0.020 0.000 2.802 1455 T HA -0.219 4.131 4.350 -0.002 0.000 0.269 1455 T C 0.918 175.618 174.700 0.001 0.000 1.062 1455 T CA 1.516 63.621 62.100 0.009 0.000 1.133 1455 T CB -0.467 68.409 68.868 0.013 0.000 0.852 1455 T HN 0.799 nan 8.240 nan 0.000 0.485 1456 D N 1.136 121.538 120.400 0.004 0.000 2.325 1456 D HA 0.208 4.847 4.640 -0.002 0.000 0.234 1456 D C 1.513 177.795 176.300 -0.030 0.000 1.122 1456 D CA 0.412 54.408 54.000 -0.006 0.000 0.850 1456 D CB -0.648 40.156 40.800 0.006 0.000 0.921 1456 D HN 0.604 nan 8.370 nan 0.000 0.513 1457 G N 1.434 110.211 108.800 -0.039 0.000 2.175 1457 G HA2 -0.372 3.588 3.960 -0.002 0.000 0.265 1457 G HA3 -0.372 3.588 3.960 -0.002 0.000 0.265 1457 G C 0.378 175.209 174.900 -0.116 0.000 0.979 1457 G CA 0.152 45.214 45.100 -0.064 0.000 0.663 1457 G HN 0.492 nan 8.290 nan 0.000 0.533 1458 R N -0.221 120.193 120.500 -0.144 0.000 2.340 1458 R HA 0.531 4.870 4.340 -0.002 0.000 0.300 1458 R C -0.055 175.972 176.300 -0.456 0.000 1.069 1458 R CA -0.197 55.720 56.100 -0.306 0.000 0.984 1458 R CB 0.900 31.034 30.300 -0.278 0.000 1.003 1458 R HN 0.080 nan 8.270 nan 0.000 0.459 1459 V N 5.897 125.464 119.914 -0.579 0.000 2.417 1459 V HA 0.440 4.559 4.120 -0.002 0.000 0.291 1459 V C -0.931 174.733 176.094 -0.718 0.000 1.024 1459 V CA -0.564 61.437 62.300 -0.498 0.000 0.861 1459 V CB 1.296 32.968 31.823 -0.252 0.000 0.985 1459 V HN 0.566 nan 8.190 nan 0.000 0.436 1460 F N 1.678 121.464 119.950 -0.272 0.000 2.493 1460 F HA 0.513 5.039 4.527 -0.002 0.000 0.329 1460 F C 0.624 176.255 175.800 -0.281 0.000 1.126 1460 F CA -0.601 57.157 58.000 -0.403 0.000 0.937 1460 F CB 2.100 40.481 39.000 -1.031 0.000 1.146 1460 F HN 0.288 nan 8.300 nan 0.000 0.442 1461 T N 5.626 120.226 114.554 0.078 0.000 2.832 1461 T HA 0.290 4.639 4.350 -0.002 0.000 0.313 1461 T C -2.558 172.293 174.700 0.252 0.000 1.035 1461 T CA -1.400 60.783 62.100 0.139 0.000 0.950 1461 T CB 0.585 69.520 68.868 0.112 0.000 0.984 1461 T HN 0.215 nan 8.240 nan 0.000 0.486 1462 P HA 0.268 nan 4.420 nan 0.000 0.276 1462 P C 0.348 177.878 177.300 0.384 0.000 1.230 1462 P CA -0.170 63.241 63.100 0.519 0.000 0.776 1462 P CB 0.939 33.094 31.700 0.758 0.000 0.888 1463 G N 2.185 111.187 108.800 0.336 0.000 2.528 1463 G HA2 0.257 4.216 3.960 -0.002 0.000 0.289 1463 G HA3 0.257 4.216 3.960 -0.002 0.000 0.289 1463 G C -0.911 174.134 174.900 0.241 0.000 1.192 1463 G CA -0.479 44.812 45.100 0.320 0.000 0.921 1463 G HN 0.574 nan 8.290 nan 0.000 0.512 1464 Q N -0.301 119.599 119.800 0.166 0.000 2.368 1464 Q HA 0.452 4.791 4.340 -0.002 0.000 0.263 1464 Q C 0.225 176.092 176.000 -0.222 0.000 1.009 1464 Q CA -0.662 55.164 55.803 0.037 0.000 0.818 1464 Q CB 1.156 29.955 28.738 0.101 0.000 1.239 1464 Q HN 0.593 nan 8.270 nan 0.000 0.464 1465 G N 4.258 112.912 108.800 -0.244 0.000 3.064 1465 G HA2 0.059 4.018 3.960 -0.002 0.000 0.286 1465 G HA3 0.059 4.018 3.960 -0.002 0.000 0.286 1465 G C -0.433 174.372 174.900 -0.158 0.000 0.834 1465 G CA -0.179 44.715 45.100 -0.343 0.000 1.856 1465 G HN 0.517 nan 8.290 nan 0.000 0.559 1466 N N 1.370 120.014 118.700 -0.092 0.000 2.249 1466 N HA 0.034 4.773 4.740 -0.002 0.000 0.296 1466 N C 0.975 176.561 175.510 0.126 0.000 1.051 1466 N CA -0.656 52.432 53.050 0.064 0.000 0.815 1466 N CB 1.442 40.005 38.487 0.127 0.000 1.487 1466 N HN 0.248 nan 8.380 nan 0.000 0.475 1467 N N 2.060 120.882 118.700 0.204 0.000 2.651 1467 N HA -0.142 4.597 4.740 -0.002 0.000 0.193 1467 N C 1.406 176.989 175.510 0.123 0.000 1.149 1467 N CA 0.563 53.767 53.050 0.257 0.000 0.933 1467 N CB -0.142 38.590 38.487 0.408 0.000 0.974 1467 N HN 0.267 nan 8.380 nan 0.000 0.448 1468 V N -0.425 119.498 119.914 0.016 0.000 2.568 1468 V HA -0.236 3.883 4.120 -0.002 0.000 0.253 1468 V C 1.102 176.839 176.094 -0.596 0.000 1.072 1468 V CA 1.490 63.483 62.300 -0.512 0.000 1.084 1468 V CB -0.720 30.853 31.823 -0.416 0.000 0.676 1468 V HN 0.357 nan 8.190 nan 0.000 0.469 1469 Y N -1.096 119.011 120.300 -0.321 0.000 2.516 1469 Y HA 0.004 4.553 4.550 -0.001 0.000 0.291 1469 Y C 2.063 177.812 175.900 -0.252 0.000 1.131 1469 Y CA 0.939 58.877 58.100 -0.269 0.000 1.281 1469 Y CB 0.231 38.561 38.460 -0.218 0.000 1.013 1469 Y HN 0.237 nan 8.280 nan 0.000 0.554 1470 I N -1.382 119.129 120.570 -0.099 0.000 3.098 1470 I HA -0.138 4.031 4.170 -0.002 0.000 0.241 1470 I C 2.268 178.308 176.117 -0.128 0.000 1.081 1470 I CA 0.728 61.990 61.300 -0.064 0.000 1.487 1470 I CB -1.562 36.498 38.000 0.101 0.000 1.366 1470 I HN 0.194 nan 8.210 nan 0.000 0.463 1471 F N 2.131 122.098 119.950 0.028 0.000 2.184 1471 F HA -0.081 4.445 4.527 -0.002 0.000 0.301 1471 F C -0.835 174.840 175.800 -0.209 0.000 1.076 1471 F CA 1.032 59.039 58.000 0.012 0.000 1.295 1471 F CB -2.855 36.300 39.000 0.258 0.000 1.026 1471 F HN 0.110 nan 8.300 nan 0.000 0.494 1472 P HA 0.012 nan 4.420 nan 0.000 0.214 1472 P C 2.128 179.257 177.300 -0.285 0.000 1.162 1472 P CA 2.247 65.109 63.100 -0.397 0.000 0.874 1472 P CB -0.428 31.007 31.700 -0.443 0.000 0.784 1473 G N -0.423 108.235 108.800 -0.236 0.000 2.422 1473 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.218 1473 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.218 1473 G C 1.581 176.380 174.900 -0.168 0.000 1.140 1473 G CA 0.614 45.613 45.100 -0.168 0.000 0.775 1473 G HN 0.139 nan 8.290 nan 0.000 0.545 1474 V N 1.425 121.210 119.914 -0.215 0.000 2.323 1474 V HA -0.063 4.056 4.120 -0.002 0.000 0.244 1474 V C 3.311 179.290 176.094 -0.192 0.000 1.041 1474 V CA 1.856 63.995 62.300 -0.268 0.000 1.025 1474 V CB -0.831 30.709 31.823 -0.472 0.000 0.656 1474 V HN 0.452 nan 8.190 nan 0.000 0.451 1475 A N 0.164 122.882 122.820 -0.169 0.000 1.892 1475 A HA -0.251 4.068 4.320 -0.002 0.000 0.218 1475 A C 2.191 179.730 177.584 -0.074 0.000 1.188 1475 A CA 2.331 54.310 52.037 -0.097 0.000 0.631 1475 A CB -0.714 18.096 19.000 -0.318 0.000 0.822 1475 A HN 0.459 nan 8.150 nan 0.000 0.447 1476 L N -0.295 120.858 121.223 -0.117 0.000 2.042 1476 L HA -0.110 4.229 4.340 -0.002 0.000 0.210 1476 L C 2.627 179.485 176.870 -0.020 0.000 1.076 1476 L CA 2.352 57.153 54.840 -0.065 0.000 0.749 1476 L CB -0.865 41.147 42.059 -0.079 0.000 0.893 1476 L HN 0.360 nan 8.230 nan 0.000 0.432 1477 A N -1.151 121.655 122.820 -0.024 0.000 1.855 1477 A HA -0.117 4.203 4.320 -0.002 0.000 0.215 1477 A C 2.245 179.856 177.584 0.045 0.000 1.191 1477 A CA 1.900 53.953 52.037 0.026 0.000 0.613 1477 A CB -1.146 17.856 19.000 0.003 0.000 0.829 1477 A HN 0.291 nan 8.150 nan 0.000 0.442 1478 V N 0.404 120.327 119.914 0.015 0.000 2.282 1478 V HA -0.327 3.792 4.120 -0.002 0.000 0.249 1478 V C 2.447 178.582 176.094 0.068 0.000 1.057 1478 V CA 2.304 64.629 62.300 0.043 0.000 1.032 1478 V CB -0.781 31.074 31.823 0.053 0.000 0.645 1478 V HN 0.573 nan 8.190 nan 0.000 0.447 1479 I N -0.611 119.996 120.570 0.062 0.000 2.179 1479 I HA -0.237 3.932 4.170 -0.002 0.000 0.242 1479 I C 2.310 178.475 176.117 0.079 0.000 1.088 1479 I CA 1.549 62.884 61.300 0.060 0.000 1.357 1479 I CB -0.320 37.702 38.000 0.036 0.000 1.051 1479 I HN 0.248 nan 8.210 nan 0.000 0.409 1480 L N -0.263 121.014 121.223 0.090 0.000 2.141 1480 L HA -0.213 4.126 4.340 -0.002 0.000 0.209 1480 L C 2.269 179.302 176.870 0.271 0.000 1.094 1480 L CA 0.968 55.903 54.840 0.159 0.000 0.763 1480 L CB -0.573 41.567 42.059 0.135 0.000 0.908 1480 L HN 0.408 nan 8.230 nan 0.000 0.437 1481 C N -0.355 119.061 119.300 0.193 0.000 2.626 1481 C HA 0.103 4.562 4.460 -0.002 0.000 0.266 1481 C C 1.133 176.168 174.990 0.075 0.000 1.317 1481 C CA -0.256 58.827 59.018 0.108 0.000 1.716 1481 C CB -1.774 25.945 27.740 -0.035 0.000 1.819 1481 C HN 0.636 nan 8.230 nan 0.000 0.578 1482 N N 0.195 118.971 118.700 0.127 0.000 2.754 1482 N HA -0.145 4.595 4.740 -0.002 0.000 0.248 1482 N C -0.405 175.217 175.510 0.186 0.000 1.093 1482 N CA 0.200 53.340 53.050 0.150 0.000 0.699 1482 N CB -0.911 37.693 38.487 0.195 0.000 1.016 1482 N HN 0.454 nan 8.380 nan 0.000 0.552 1483 T N 0.103 114.739 114.554 0.138 0.000 2.930 1483 T HA 0.085 4.434 4.350 -0.002 0.000 0.306 1483 T C 1.668 176.420 174.700 0.087 0.000 1.045 1483 T CA -0.016 62.180 62.100 0.160 0.000 1.134 1483 T CB 0.973 69.900 68.868 0.098 0.000 0.961 1483 T HN 0.360 nan 8.240 nan 0.000 0.545 1484 R N 1.839 122.359 120.500 0.032 0.000 2.225 1484 R HA 0.213 4.552 4.340 -0.002 0.000 0.194 1484 R C -0.096 175.869 176.300 -0.559 0.000 0.957 1484 R CA 0.197 56.121 56.100 -0.294 0.000 1.042 1484 R CB 0.236 30.257 30.300 -0.465 0.000 1.004 1484 R HN 0.636 nan 8.270 nan 0.000 0.509 1485 H N -0.068 119.098 119.070 0.159 0.000 2.894 1485 H HA 0.457 5.012 4.556 -0.001 0.000 0.367 1485 H C -1.264 174.172 175.328 0.179 0.000 1.144 1485 H CA -0.774 55.372 56.048 0.164 0.000 1.180 1485 H CB 2.464 32.307 29.762 0.134 0.000 1.758 1485 H HN -0.063 nan 8.280 nan 0.000 0.541 1486 I N 2.741 123.513 120.570 0.337 0.000 2.328 1486 I HA 0.216 4.385 4.170 -0.002 0.000 0.287 1486 I C 0.054 176.358 176.117 0.311 0.000 1.012 1486 I CA -0.526 60.954 61.300 0.300 0.000 1.195 1486 I CB 0.981 39.182 38.000 0.335 0.000 1.350 1486 I HN 0.547 nan 8.210 nan 0.000 0.464 1487 S N 3.165 119.032 115.700 0.278 0.000 2.610 1487 S HA 0.231 4.700 4.470 -0.002 0.000 0.273 1487 S C 0.728 175.518 174.600 0.316 0.000 1.274 1487 S CA -0.777 57.575 58.200 0.253 0.000 1.023 1487 S CB 1.646 64.976 63.200 0.217 0.000 0.962 1487 S HN 0.545 nan 8.310 nan 0.000 0.523 1488 D N 1.735 122.280 120.400 0.242 0.000 2.221 1488 D HA -0.134 4.505 4.640 -0.002 0.000 0.204 1488 D C 2.083 178.552 176.300 0.283 0.000 0.982 1488 D CA 1.729 55.872 54.000 0.239 0.000 0.857 1488 D CB -0.337 40.530 40.800 0.111 0.000 0.934 1488 D HN 0.770 nan 8.370 nan 0.000 0.475 1489 S N 0.156 115.994 115.700 0.230 0.000 2.442 1489 S HA -0.101 4.368 4.470 -0.002 0.000 0.236 1489 S C 2.153 176.781 174.600 0.047 0.000 1.007 1489 S CA 0.541 58.850 58.200 0.183 0.000 0.965 1489 S CB -0.384 62.984 63.200 0.279 0.000 0.773 1489 S HN 0.070 nan 8.310 nan 0.000 0.504 1490 V N 0.654 120.645 119.914 0.129 0.000 2.427 1490 V HA -0.047 4.072 4.120 -0.002 0.000 0.248 1490 V C 2.140 178.074 176.094 -0.267 0.000 1.051 1490 V CA 1.625 63.858 62.300 -0.111 0.000 1.048 1490 V CB -1.016 30.770 31.823 -0.062 0.000 0.666 1490 V HN 0.472 nan 8.190 nan 0.000 0.456 1491 F N -0.612 119.277 119.950 -0.100 0.000 2.234 1491 F HA -0.076 4.450 4.527 -0.002 0.000 0.299 1491 F C 2.145 177.896 175.800 -0.082 0.000 1.087 1491 F CA 1.169 59.118 58.000 -0.084 0.000 1.340 1491 F CB -0.526 38.452 39.000 -0.036 0.000 1.031 1491 F HN 0.029 nan 8.300 nan 0.000 0.500 1492 L N -0.159 121.111 121.223 0.079 0.000 2.046 1492 L HA -0.200 4.139 4.340 -0.002 0.000 0.208 1492 L C 2.469 179.289 176.870 -0.083 0.000 1.077 1492 L CA 1.487 56.338 54.840 0.018 0.000 0.747 1492 L CB -0.297 41.775 42.059 0.020 0.000 0.896 1492 L HN 0.095 nan 8.230 nan 0.000 0.432 1493 E N -0.405 119.648 120.200 -0.245 0.000 2.274 1493 E HA -0.143 4.206 4.350 -0.002 0.000 0.194 1493 E C 2.035 178.515 176.600 -0.200 0.000 0.996 1493 E CA 0.924 57.143 56.400 -0.302 0.000 0.840 1493 E CB 0.132 29.431 29.700 -0.667 0.000 0.772 1493 E HN 0.543 nan 8.360 nan 0.000 0.491 1494 A N 1.456 124.161 122.820 -0.192 0.000 1.873 1494 A HA -0.073 4.246 4.320 -0.002 0.000 0.215 1494 A C 2.425 179.973 177.584 -0.060 0.000 1.186 1494 A CA 1.762 53.709 52.037 -0.150 0.000 0.616 1494 A CB -0.538 18.336 19.000 -0.211 0.000 0.823 1494 A HN 0.268 nan 8.150 nan 0.000 0.442 1495 A N 0.155 122.966 122.820 -0.014 0.000 1.865 1495 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 1495 A C 2.106 179.694 177.584 0.006 0.000 1.191 1495 A CA 1.952 54.005 52.037 0.027 0.000 0.623 1495 A CB -0.548 18.488 19.000 0.059 0.000 0.826 1495 A HN 0.557 nan 8.150 nan 0.000 0.444 1496 K N -0.252 120.139 120.400 -0.014 0.000 2.063 1496 K HA -0.109 4.210 4.320 -0.002 0.000 0.208 1496 K C 2.285 178.876 176.600 -0.016 0.000 1.048 1496 K CA 1.238 57.517 56.287 -0.014 0.000 0.928 1496 K CB -0.396 32.090 32.500 -0.024 0.000 0.713 1496 K HN 0.449 nan 8.250 nan 0.000 0.442 1497 A N 1.499 124.301 122.820 -0.031 0.000 1.933 1497 A HA -0.160 4.159 4.320 -0.002 0.000 0.218 1497 A C 2.116 179.695 177.584 -0.008 0.000 1.175 1497 A CA 1.193 53.215 52.037 -0.024 0.000 0.628 1497 A CB -0.475 18.499 19.000 -0.043 0.000 0.814 1497 A HN 0.232 nan 8.150 nan 0.000 0.444 1498 L N -0.438 120.783 121.223 -0.004 0.000 1.988 1498 L HA -0.080 4.259 4.340 -0.002 0.000 0.207 1498 L C 2.443 179.318 176.870 0.009 0.000 1.071 1498 L CA 2.881 57.728 54.840 0.012 0.000 0.744 1498 L CB -1.248 40.824 42.059 0.022 0.000 0.893 1498 L HN 0.327 nan 8.230 nan 0.000 0.433 1499 T N -0.429 114.127 114.554 0.003 0.000 2.803 1499 T HA -0.150 4.199 4.350 -0.002 0.000 0.269 1499 T C 1.815 176.511 174.700 -0.006 0.000 1.052 1499 T CA 1.402 63.494 62.100 -0.013 0.000 1.136 1499 T CB -0.544 68.312 68.868 -0.019 0.000 0.864 1499 T HN 0.665 nan 8.240 nan 0.000 0.467 1500 S N 1.115 116.815 115.700 0.000 0.000 2.641 1500 S HA -0.047 4.422 4.470 -0.002 0.000 0.239 1500 S C 1.466 176.071 174.600 0.008 0.000 0.972 1500 S CA 0.513 58.715 58.200 0.004 0.000 0.954 1500 S CB -0.389 62.814 63.200 0.005 0.000 0.767 1500 S HN 0.596 nan 8.310 nan 0.000 0.539 1501 Q N -0.315 119.491 119.800 0.010 0.000 2.189 1501 Q HA 0.397 4.736 4.340 -0.002 0.000 0.223 1501 Q C -0.088 175.924 176.000 0.019 0.000 0.828 1501 Q CA -0.213 55.601 55.803 0.017 0.000 0.967 1501 Q CB 0.492 29.246 28.738 0.026 0.000 1.139 1501 Q HN 0.491 nan 8.270 nan 0.000 0.497 1502 L N 3.633 124.861 121.223 0.010 0.000 2.407 1502 L HA 0.123 4.462 4.340 -0.002 0.000 0.282 1502 L C 0.448 177.325 176.870 0.012 0.000 1.110 1502 L CA -0.145 54.700 54.840 0.008 0.000 0.863 1502 L CB 0.579 42.628 42.059 -0.016 0.000 1.207 1502 L HN 0.175 nan 8.230 nan 0.000 0.454 1503 T N -0.780 113.786 114.554 0.020 0.000 2.828 1503 T HA 0.091 4.440 4.350 -0.002 0.000 0.290 1503 T C 0.801 175.513 174.700 0.020 0.000 1.019 1503 T CA -0.630 61.482 62.100 0.019 0.000 1.031 1503 T CB 1.075 69.956 68.868 0.021 0.000 1.001 1503 T HN 0.541 nan 8.240 nan 0.000 0.531 1504 D N 0.773 121.184 120.400 0.019 0.000 2.092 1504 D HA -0.076 4.563 4.640 -0.002 0.000 0.193 1504 D C 2.016 178.331 176.300 0.025 0.000 0.994 1504 D CA 1.495 55.507 54.000 0.021 0.000 0.828 1504 D CB -0.257 40.554 40.800 0.018 0.000 0.963 1504 D HN 0.745 nan 8.370 nan 0.000 0.450 1505 E N 0.878 121.093 120.200 0.024 0.000 2.114 1505 E HA -0.216 4.133 4.350 -0.002 0.000 0.199 1505 E C 1.858 178.478 176.600 0.033 0.000 1.008 1505 E CA 1.179 57.594 56.400 0.025 0.000 0.810 1505 E CB -0.280 29.432 29.700 0.021 0.000 0.739 1505 E HN 0.468 nan 8.360 nan 0.000 0.456 1506 E N 0.112 120.334 120.200 0.037 0.000 2.204 1506 E HA -0.097 4.252 4.350 -0.002 0.000 0.194 1506 E C 2.042 178.675 176.600 0.055 0.000 0.989 1506 E CA 0.521 56.950 56.400 0.048 0.000 0.824 1506 E CB -0.121 29.608 29.700 0.048 0.000 0.756 1506 E HN 0.242 nan 8.360 nan 0.000 0.477 1507 L N 0.823 122.073 121.223 0.045 0.000 2.017 1507 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 1507 L C 2.664 179.579 176.870 0.074 0.000 1.073 1507 L CA 1.171 56.041 54.840 0.049 0.000 0.745 1507 L CB -0.619 41.462 42.059 0.037 0.000 0.894 1507 L HN 0.133 nan 8.230 nan 0.000 0.432 1508 A N -0.019 122.840 122.820 0.065 0.000 1.873 1508 A HA -0.304 4.015 4.320 -0.002 0.000 0.218 1508 A C 2.191 179.832 177.584 0.096 0.000 1.193 1508 A CA 2.014 54.095 52.037 0.073 0.000 0.629 1508 A CB -0.768 18.259 19.000 0.046 0.000 0.826 1508 A HN 0.552 nan 8.150 nan 0.000 0.447 1509 Q N -1.743 118.103 119.800 0.077 0.000 2.376 1509 Q HA 0.067 4.406 4.340 -0.002 0.000 0.211 1509 Q C 1.184 177.280 176.000 0.161 0.000 0.986 1509 Q CA 0.752 56.600 55.803 0.076 0.000 0.886 1509 Q CB -0.306 28.467 28.738 0.058 0.000 0.927 1509 Q HN 1.099 nan 8.270 nan 0.000 0.457 1510 G N 0.816 109.733 108.800 0.195 0.000 2.138 1510 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.193 1510 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.193 1510 G C -0.353 174.683 174.900 0.226 0.000 0.998 1510 G CA -0.568 44.692 45.100 0.266 0.000 0.668 1510 G HN 0.156 nan 8.290 nan 0.000 0.516 1511 R N 0.080 120.673 120.500 0.155 0.000 2.202 1511 R HA 0.542 4.881 4.340 -0.002 0.000 0.334 1511 R C 1.339 177.663 176.300 0.041 0.000 1.036 1511 R CA -0.551 55.625 56.100 0.126 0.000 0.878 1511 R CB 0.632 31.001 30.300 0.114 0.000 1.067 1511 R HN 0.244 nan 8.270 nan 0.000 0.457 1512 L N 2.972 124.175 121.223 -0.033 0.000 2.558 1512 L HA 0.152 4.491 4.340 -0.002 0.000 0.225 1512 L C -0.281 176.237 176.870 -0.586 0.000 1.128 1512 L CA 0.516 55.180 54.840 -0.294 0.000 0.868 1512 L CB 0.104 41.929 42.059 -0.390 0.000 1.006 1512 L HN 0.559 nan 8.230 nan 0.000 0.454 1513 Y N -1.880 118.370 120.300 -0.084 0.000 2.581 1513 Y HA 0.424 4.973 4.550 -0.001 0.000 0.345 1513 Y C -2.357 173.481 175.900 -0.104 0.000 1.036 1513 Y CA -2.745 55.229 58.100 -0.209 0.000 1.042 1513 Y CB 0.913 39.087 38.460 -0.477 0.000 1.289 1513 Y HN -0.259 nan 8.280 nan 0.000 0.471 1514 P HA 0.034 nan 4.420 nan 0.000 0.269 1514 P C -2.556 174.879 177.300 0.225 0.000 1.215 1514 P CA -0.868 62.311 63.100 0.132 0.000 0.780 1514 P CB -0.059 31.724 31.700 0.137 0.000 0.898 1515 P HA -0.058 nan 4.420 nan 0.000 0.264 1515 P C 0.642 178.054 177.300 0.186 0.000 1.193 1515 P CA -0.024 63.179 63.100 0.171 0.000 0.763 1515 P CB 0.569 32.333 31.700 0.107 0.000 0.810 1516 L N 4.244 125.575 121.223 0.179 0.000 2.349 1516 L HA -0.158 4.181 4.340 -0.002 0.000 0.220 1516 L C 2.334 179.197 176.870 -0.011 0.000 1.130 1516 L CA 1.891 56.758 54.840 0.045 0.000 0.791 1516 L CB -1.460 40.611 42.059 0.021 0.000 0.918 1516 L HN 0.483 nan 8.230 nan 0.000 0.444 1517 A N -1.122 121.716 122.820 0.030 0.000 2.119 1517 A HA -0.073 4.246 4.320 -0.002 0.000 0.217 1517 A C 1.616 179.202 177.584 0.003 0.000 1.153 1517 A CA 1.188 53.232 52.037 0.011 0.000 0.692 1517 A CB -0.422 18.593 19.000 0.025 0.000 0.799 1517 A HN 0.568 nan 8.150 nan 0.000 0.458 1518 N N -0.557 118.156 118.700 0.021 0.000 2.214 1518 N HA 0.133 4.872 4.740 -0.002 0.000 0.214 1518 N C 1.014 176.526 175.510 0.002 0.000 1.132 1518 N CA -0.083 52.977 53.050 0.017 0.000 0.856 1518 N CB 0.181 38.692 38.487 0.041 0.000 1.020 1518 N HN 0.561 nan 8.380 nan 0.000 0.509 1519 I N 0.745 121.288 120.570 -0.045 0.000 2.623 1519 I HA -0.356 3.813 4.170 -0.002 0.000 0.261 1519 I C 1.552 177.611 176.117 -0.098 0.000 1.204 1519 I CA 1.397 62.628 61.300 -0.115 0.000 1.444 1519 I CB 0.436 38.267 38.000 -0.281 0.000 1.094 1519 I HN 0.074 nan 8.210 nan 0.000 0.451 1520 Q N 0.689 120.448 119.800 -0.068 0.000 2.008 1520 Q HA -0.224 4.115 4.340 -0.002 0.000 0.196 1520 Q C 2.057 178.032 176.000 -0.041 0.000 0.973 1520 Q CA 1.989 57.757 55.803 -0.058 0.000 0.826 1520 Q CB -0.323 28.389 28.738 -0.043 0.000 0.894 1520 Q HN 0.672 nan 8.270 nan 0.000 0.439 1521 E N 0.331 120.517 120.200 -0.023 0.000 2.110 1521 E HA -0.171 4.178 4.350 -0.002 0.000 0.193 1521 E C 1.880 178.476 176.600 -0.006 0.000 0.988 1521 E CA 1.577 57.970 56.400 -0.013 0.000 0.804 1521 E CB -0.345 29.353 29.700 -0.003 0.000 0.745 1521 E HN 0.129 nan 8.360 nan 0.000 0.458 1522 V N 1.592 121.510 119.914 0.008 0.000 2.287 1522 V HA -0.289 3.830 4.120 -0.002 0.000 0.248 1522 V C 2.543 178.637 176.094 -0.001 0.000 1.053 1522 V CA 2.111 64.429 62.300 0.030 0.000 1.027 1522 V CB -0.645 31.235 31.823 0.095 0.000 0.646 1522 V HN 0.316 nan 8.190 nan 0.000 0.447 1523 S N -0.003 115.676 115.700 -0.036 0.000 2.359 1523 S HA -0.145 4.324 4.470 -0.002 0.000 0.224 1523 S C 1.926 176.489 174.600 -0.061 0.000 1.035 1523 S CA 1.550 59.706 58.200 -0.074 0.000 1.018 1523 S CB -0.321 62.807 63.200 -0.121 0.000 0.876 1523 S HN 0.401 nan 8.310 nan 0.000 0.448 1524 I N 2.644 123.186 120.570 -0.046 0.000 2.179 1524 I HA -0.141 4.028 4.170 -0.002 0.000 0.242 1524 I C 2.056 178.161 176.117 -0.021 0.000 1.088 1524 I CA 1.170 62.449 61.300 -0.035 0.000 1.357 1524 I CB -1.734 36.248 38.000 -0.029 0.000 1.051 1524 I HN 0.260 nan 8.210 nan 0.000 0.409 1525 N N 1.122 119.814 118.700 -0.014 0.000 2.104 1525 N HA -0.138 4.601 4.740 -0.002 0.000 0.190 1525 N C 2.007 177.512 175.510 -0.008 0.000 1.024 1525 N CA 1.261 54.308 53.050 -0.004 0.000 0.853 1525 N CB -0.213 38.276 38.487 0.003 0.000 1.008 1525 N HN 0.378 nan 8.380 nan 0.000 0.424 1526 I N 1.093 121.650 120.570 -0.022 0.000 2.142 1526 I HA -0.234 3.935 4.170 -0.002 0.000 0.240 1526 I C 2.369 178.462 176.117 -0.041 0.000 1.078 1526 I CA 0.997 62.275 61.300 -0.038 0.000 1.343 1526 I CB -0.411 37.554 38.000 -0.058 0.000 1.046 1526 I HN 0.044 nan 8.210 nan 0.000 0.405 1527 A N 1.239 124.033 122.820 -0.043 0.000 1.948 1527 A HA -0.221 4.098 4.320 -0.002 0.000 0.220 1527 A C 2.280 179.875 177.584 0.019 0.000 1.177 1527 A CA 1.786 53.806 52.037 -0.028 0.000 0.636 1527 A CB -0.953 18.026 19.000 -0.035 0.000 0.815 1527 A HN 0.443 nan 8.150 nan 0.000 0.449 1528 I N -0.865 119.720 120.570 0.025 0.000 2.252 1528 I HA -0.245 3.924 4.170 -0.002 0.000 0.245 1528 I C 2.465 178.619 176.117 0.062 0.000 1.102 1528 I CA 1.272 62.605 61.300 0.055 0.000 1.385 1528 I CB -0.365 37.659 38.000 0.040 0.000 1.064 1528 I HN 0.187 nan 8.210 nan 0.000 0.414 1529 K N 0.860 121.282 120.400 0.037 0.000 2.009 1529 K HA -0.128 4.191 4.320 -0.002 0.000 0.210 1529 K C 2.190 178.839 176.600 0.080 0.000 1.049 1529 K CA 1.299 57.613 56.287 0.045 0.000 0.929 1529 K CB -0.717 31.787 32.500 0.006 0.000 0.714 1529 K HN 0.199 nan 8.250 nan 0.000 0.440 1530 V N 1.828 121.766 119.914 0.041 0.000 2.392 1530 V HA -0.256 3.863 4.120 -0.002 0.000 0.249 1530 V C 2.686 178.873 176.094 0.156 0.000 1.059 1530 V CA 2.401 64.743 62.300 0.069 0.000 1.051 1530 V CB -1.258 30.543 31.823 -0.037 0.000 0.658 1530 V HN 0.566 nan 8.190 nan 0.000 0.455 1531 T N -1.850 112.791 114.554 0.144 0.000 2.821 1531 T HA -0.182 4.167 4.350 -0.002 0.000 0.267 1531 T C 1.648 176.508 174.700 0.267 0.000 1.046 1531 T CA 1.545 63.773 62.100 0.213 0.000 1.139 1531 T CB -0.336 68.691 68.868 0.265 0.000 0.871 1531 T HN 0.589 nan 8.240 nan 0.000 0.454 1532 E N -0.153 120.161 120.200 0.191 0.000 2.106 1532 E HA -0.058 4.292 4.350 -0.002 0.000 0.192 1532 E C 1.856 178.555 176.600 0.164 0.000 0.984 1532 E CA 0.985 57.476 56.400 0.151 0.000 0.806 1532 E CB -0.279 29.477 29.700 0.093 0.000 0.750 1532 E HN 0.654 nan 8.360 nan 0.000 0.458 1533 Y N 1.598 121.931 120.300 0.055 0.000 2.114 1533 Y HA -0.208 4.342 4.550 -0.002 0.000 0.284 1533 Y C 1.978 177.894 175.900 0.028 0.000 1.143 1533 Y CA 1.399 59.519 58.100 0.032 0.000 1.135 1533 Y CB -0.304 38.163 38.460 0.011 0.000 0.980 1533 Y HN -0.076 nan 8.280 nan 0.000 0.499 1534 L N -1.183 120.072 121.223 0.053 0.000 2.013 1534 L HA -0.306 4.033 4.340 -0.002 0.000 0.212 1534 L C 2.250 178.999 176.870 -0.202 0.000 1.073 1534 L CA 1.867 56.647 54.840 -0.100 0.000 0.753 1534 L CB -0.854 41.176 42.059 -0.049 0.000 0.890 1534 L HN 0.265 nan 8.230 nan 0.000 0.432 1535 Y N -0.541 119.680 120.300 -0.132 0.000 2.133 1535 Y HA -0.211 4.338 4.550 -0.002 0.000 0.287 1535 Y C 2.617 178.417 175.900 -0.168 0.000 1.134 1535 Y CA 1.236 59.243 58.100 -0.156 0.000 1.133 1535 Y CB -0.514 37.873 38.460 -0.121 0.000 0.987 1535 Y HN 0.119 nan 8.280 nan 0.000 0.502 1536 A N -0.074 122.758 122.820 0.021 0.000 2.084 1536 A HA -0.197 4.122 4.320 -0.002 0.000 0.221 1536 A C 1.409 178.908 177.584 -0.141 0.000 1.161 1536 A CA 1.819 53.823 52.037 -0.054 0.000 0.653 1536 A CB -0.543 18.428 19.000 -0.048 0.000 0.802 1536 A HN 0.540 nan 8.150 nan 0.000 0.457 1537 N N -0.016 118.541 118.700 -0.239 0.000 2.338 1537 N HA 0.077 4.816 4.740 -0.002 0.000 0.251 1537 N C -0.762 174.625 175.510 -0.205 0.000 1.199 1537 N CA -0.173 52.720 53.050 -0.263 0.000 0.879 1537 N CB 0.489 38.699 38.487 -0.463 0.000 1.159 1537 N HN 0.161 nan 8.380 nan 0.000 0.514 1541 F N 0.768 120.592 119.950 -0.209 0.000 2.724 1541 F HA 0.318 4.844 4.527 -0.002 0.000 0.310 1541 F C 1.189 177.040 175.800 0.085 0.000 1.107 1541 F CA -0.282 57.692 58.000 -0.043 0.000 1.218 1541 F CB 0.799 39.792 39.000 -0.011 0.000 1.042 1541 F HN 0.521 nan 8.300 nan 0.000 0.540 1542 R N 2.486 123.081 120.500 0.158 0.000 2.248 1542 R HA 0.113 4.452 4.340 -0.002 0.000 0.337 1542 R C -1.181 175.294 176.300 0.293 0.000 1.085 1542 R CA -0.129 56.118 56.100 0.245 0.000 0.934 1542 R CB -0.451 29.991 30.300 0.237 0.000 1.034 1542 R HN 0.386 nan 8.270 nan 0.000 0.465 1543 Y N 3.175 123.555 120.300 0.135 0.000 2.420 1543 Y HA 0.713 5.262 4.550 -0.002 0.000 0.334 1543 Y C -2.325 173.618 175.900 0.072 0.000 1.094 1543 Y CA -2.705 55.454 58.100 0.098 0.000 1.126 1543 Y CB 0.587 39.099 38.460 0.087 0.000 1.217 1543 Y HN 0.430 nan 8.280 nan 0.000 0.462 1544 P HA 0.158 nan 4.420 nan 0.000 0.277 1544 P C -1.119 176.170 177.300 -0.018 0.000 1.240 1544 P CA -0.711 62.430 63.100 0.069 0.000 0.798 1544 P CB 0.821 32.534 31.700 0.022 0.000 0.979 1545 E N 2.938 123.122 120.200 -0.026 0.000 2.376 1545 E HA 0.074 4.423 4.350 -0.002 0.000 0.266 1545 E C -1.829 174.538 176.600 -0.389 0.000 1.009 1545 E CA -1.548 54.678 56.400 -0.291 0.000 0.902 1545 E CB 0.114 29.621 29.700 -0.322 0.000 0.972 1545 E HN 0.277 nan 8.360 nan 0.000 0.439 1546 P HA 0.039 nan 4.420 nan 0.000 0.276 1546 P C -0.005 177.098 177.300 -0.328 0.000 1.230 1546 P CA -0.156 62.688 63.100 -0.427 0.000 0.776 1546 P CB 1.299 32.623 31.700 -0.626 0.000 0.888 1547 E N 1.237 121.326 120.200 -0.186 0.000 2.007 1547 E HA -0.130 4.219 4.350 -0.002 0.000 0.194 1547 E C 0.427 176.958 176.600 -0.115 0.000 0.999 1547 E CA 1.395 57.714 56.400 -0.135 0.000 0.811 1547 E CB -0.286 29.366 29.700 -0.079 0.000 0.762 1547 E HN 0.558 nan 8.360 nan 0.000 0.450 1548 D N 0.722 121.080 120.400 -0.070 0.000 2.441 1548 D HA 0.041 4.680 4.640 -0.002 0.000 0.221 1548 D C 0.463 176.765 176.300 0.004 0.000 1.156 1548 D CA -0.099 53.884 54.000 -0.028 0.000 0.896 1548 D CB 0.757 41.556 40.800 -0.003 0.000 1.028 1548 D HN -0.209 nan 8.370 nan 0.000 0.509 1549 K N 2.324 122.717 120.400 -0.012 0.000 2.057 1549 K HA -0.071 4.248 4.320 -0.002 0.000 0.207 1549 K C 1.858 178.537 176.600 0.132 0.000 1.049 1549 K CA 1.268 57.592 56.287 0.061 0.000 0.931 1549 K CB -0.230 32.287 32.500 0.028 0.000 0.714 1549 K HN 0.438 nan 8.250 nan 0.000 0.440 1550 A N 1.243 124.103 122.820 0.068 0.000 1.851 1550 A HA -0.282 4.037 4.320 -0.002 0.000 0.216 1550 A C 2.132 179.748 177.584 0.054 0.000 1.195 1550 A CA 2.156 54.224 52.037 0.052 0.000 0.622 1550 A CB -0.616 18.400 19.000 0.027 0.000 0.831 1550 A HN 0.318 nan 8.150 nan 0.000 0.444 1551 K N -1.949 118.483 120.400 0.054 0.000 2.103 1551 K HA -0.237 4.082 4.320 -0.002 0.000 0.207 1551 K C 1.915 178.559 176.600 0.073 0.000 1.048 1551 K CA 1.890 58.205 56.287 0.046 0.000 0.930 1551 K CB -0.384 32.141 32.500 0.041 0.000 0.716 1551 K HN 0.563 nan 8.250 nan 0.000 0.444 1552 Y N 0.852 121.140 120.300 -0.020 0.000 2.114 1552 Y HA -0.218 4.331 4.550 -0.001 0.000 0.284 1552 Y C 1.848 177.749 175.900 0.000 0.000 1.143 1552 Y CA 1.569 59.661 58.100 -0.013 0.000 1.135 1552 Y CB -0.407 38.040 38.460 -0.022 0.000 0.980 1552 Y HN -0.156 nan 8.280 nan 0.000 0.499 1553 V N 0.644 120.502 119.914 -0.093 0.000 2.358 1553 V HA -0.263 3.857 4.120 -0.002 0.000 0.246 1553 V C 2.156 178.168 176.094 -0.136 0.000 1.047 1553 V CA 2.263 64.457 62.300 -0.175 0.000 1.035 1553 V CB -0.548 31.259 31.823 -0.026 0.000 0.658 1553 V HN 0.315 nan 8.190 nan 0.000 0.452 1554 K N -0.159 120.198 120.400 -0.072 0.000 2.211 1554 K HA -0.130 4.189 4.320 -0.002 0.000 0.203 1554 K C 2.026 178.584 176.600 -0.069 0.000 1.050 1554 K CA 1.139 57.391 56.287 -0.058 0.000 0.945 1554 K CB -0.106 32.374 32.500 -0.033 0.000 0.732 1554 K HN 0.523 nan 8.250 nan 0.000 0.451 1555 E N 0.406 120.556 120.200 -0.084 0.000 2.274 1555 E HA -0.093 4.256 4.350 -0.002 0.000 0.194 1555 E C 1.143 177.685 176.600 -0.096 0.000 0.996 1555 E CA 0.647 57.002 56.400 -0.076 0.000 0.840 1555 E CB 0.224 29.889 29.700 -0.059 0.000 0.772 1555 E HN 0.177 nan 8.360 nan 0.000 0.491 1556 R N 0.658 121.070 120.500 -0.147 0.000 2.468 1556 R HA 0.064 4.403 4.340 -0.002 0.000 0.280 1556 R C 0.064 176.325 176.300 -0.066 0.000 0.963 1556 R CA 0.029 56.050 56.100 -0.131 0.000 1.083 1556 R CB 0.731 30.885 30.300 -0.243 0.000 1.200 1556 R HN 0.025 nan 8.270 nan 0.000 0.541 1557 T N -2.295 112.232 114.554 -0.045 0.000 2.889 1557 T HA 0.156 4.505 4.350 -0.002 0.000 0.291 1557 T C -0.370 174.372 174.700 0.070 0.000 0.995 1557 T CA -0.798 61.307 62.100 0.008 0.000 1.092 1557 T CB 1.422 70.283 68.868 -0.012 0.000 0.954 1557 T HN 0.246 nan 8.240 nan 0.000 0.506 1558 W N 3.989 125.230 121.300 -0.098 0.000 2.216 1558 W HA 0.401 5.060 4.660 -0.002 0.000 0.326 1558 W C 0.003 176.462 176.519 -0.100 0.000 1.319 1558 W CA -0.838 56.449 57.345 -0.097 0.000 1.213 1558 W CB 0.594 29.983 29.460 -0.118 0.000 1.171 1558 W HN 0.539 nan 8.180 nan 0.000 0.557 1559 R N 3.178 123.282 120.500 -0.659 0.000 2.598 1559 R HA 0.173 4.512 4.340 -0.002 0.000 0.279 1559 R C 1.073 176.608 176.300 -1.275 0.000 0.984 1559 R CA 0.058 55.746 56.100 -0.687 0.000 0.999 1559 R CB 1.366 31.405 30.300 -0.435 0.000 1.114 1559 R HN 0.696 nan 8.270 nan 0.000 0.493 1560 S N -0.439 114.781 115.700 -0.800 0.000 2.558 1560 S HA 0.023 4.492 4.470 -0.002 0.000 0.217 1560 S C 0.126 174.386 174.600 -0.567 0.000 0.975 1560 S CA -0.149 57.620 58.200 -0.719 0.000 0.912 1560 S CB 0.087 63.116 63.200 -0.285 0.000 0.776 1560 S HN 0.470 nan 8.310 nan 0.000 0.526 1561 E N 1.330 121.242 120.200 -0.479 0.000 2.404 1561 E HA 0.271 4.620 4.350 -0.002 0.000 0.261 1561 E C -0.710 175.699 176.600 -0.317 0.000 1.074 1561 E CA -0.124 56.053 56.400 -0.370 0.000 0.917 1561 E CB 0.118 29.677 29.700 -0.236 0.000 0.965 1561 E HN 0.494 nan 8.360 nan 0.000 0.433 1562 Y N 1.304 121.513 120.300 -0.152 0.000 2.425 1562 Y HA 0.052 4.601 4.550 -0.001 0.000 0.331 1562 Y C 0.509 176.345 175.900 -0.107 0.000 1.157 1562 Y CA -0.205 57.817 58.100 -0.129 0.000 1.372 1562 Y CB 0.765 39.152 38.460 -0.121 0.000 1.253 1562 Y HN 0.332 nan 8.280 nan 0.000 0.536 1563 D N 1.142 121.605 120.400 0.104 0.000 2.229 1563 D HA 0.087 4.726 4.640 -0.002 0.000 0.249 1563 D C -0.533 175.797 176.300 0.051 0.000 1.027 1563 D CA -0.401 53.627 54.000 0.046 0.000 0.923 1563 D CB 1.889 42.712 40.800 0.038 0.000 1.174 1563 D HN 0.354 nan 8.370 nan 0.000 0.443 1564 S N 0.631 116.356 115.700 0.040 0.000 2.549 1564 S HA 0.170 4.640 4.470 -0.002 0.000 0.279 1564 S C 0.978 175.613 174.600 0.058 0.000 1.321 1564 S CA -0.405 57.822 58.200 0.044 0.000 1.054 1564 S CB 0.228 63.451 63.200 0.038 0.000 0.899 1564 S HN 0.332 nan 8.310 nan 0.000 0.497 1565 L N 4.705 125.973 121.223 0.075 0.000 2.769 1565 L HA 0.336 4.675 4.340 -0.002 0.000 0.240 1565 L C -0.073 176.837 176.870 0.067 0.000 1.163 1565 L CA -0.128 54.765 54.840 0.087 0.000 0.962 1565 L CB -0.001 42.142 42.059 0.140 0.000 1.258 1565 L HN 0.489 nan 8.230 nan 0.000 0.513 1566 L N 2.336 123.593 121.223 0.056 0.000 2.456 1566 L HA 0.171 4.511 4.340 -0.002 0.000 0.272 1566 L C -1.460 175.435 176.870 0.041 0.000 1.189 1566 L CA -1.389 53.476 54.840 0.042 0.000 0.846 1566 L CB 0.107 42.189 42.059 0.039 0.000 1.111 1566 L HN -0.012 nan 8.230 nan 0.000 0.475 1567 P HA 0.027 nan 4.420 nan 0.000 0.274 1567 P C -0.921 176.411 177.300 0.053 0.000 1.237 1567 P CA -0.504 62.616 63.100 0.033 0.000 0.793 1567 P CB 0.736 32.441 31.700 0.008 0.000 0.977 1568 D N 1.286 121.737 120.400 0.084 0.000 2.416 1568 D HA 0.150 4.789 4.640 -0.002 0.000 0.240 1568 D C -0.487 175.925 176.300 0.187 0.000 1.250 1568 D CA 0.047 54.142 54.000 0.158 0.000 0.967 1568 D CB -0.124 40.800 40.800 0.207 0.000 1.059 1568 D HN -0.040 nan 8.370 nan 0.000 0.512 1569 V N 5.456 125.449 119.914 0.132 0.000 2.472 1569 V HA 0.501 4.620 4.120 -0.002 0.000 0.290 1569 V C -0.335 175.851 176.094 0.152 0.000 1.037 1569 V CA -0.539 61.774 62.300 0.022 0.000 0.908 1569 V CB 0.817 32.627 31.823 -0.021 0.000 0.985 1569 V HN 0.409 nan 8.190 nan 0.000 0.454 1570 Y N 0.804 121.096 120.300 -0.014 0.000 2.620 1570 Y HA 0.613 5.162 4.550 -0.001 0.000 0.331 1570 Y C -0.780 175.130 175.900 0.017 0.000 1.173 1570 Y CA -1.289 56.823 58.100 0.019 0.000 1.076 1570 Y CB 0.966 39.460 38.460 0.057 0.000 1.336 1570 Y HN 0.553 nan 8.280 nan 0.000 0.459 1571 E N 1.856 122.174 120.200 0.198 0.000 2.331 1571 E HA 0.128 4.477 4.350 -0.002 0.000 0.272 1571 E C -1.197 175.625 176.600 0.369 0.000 1.036 1571 E CA -0.533 55.960 56.400 0.155 0.000 0.864 1571 E CB 0.851 30.624 29.700 0.122 0.000 1.035 1571 E HN 0.526 nan 8.360 nan 0.000 0.408 1572 W N 2.320 123.661 121.300 0.067 0.000 2.375 1572 W HA 0.310 4.969 4.660 -0.001 0.000 0.336 1572 W C -1.516 175.038 176.519 0.057 0.000 1.160 1572 W CA -1.906 55.489 57.345 0.083 0.000 1.266 1572 W CB -0.535 28.950 29.460 0.041 0.000 1.195 1572 W HN 0.495 nan 8.180 nan 0.000 0.599 1573 P HA 0.000 nan 4.420 nan 0.000 0.216 1573 P CA 0.000 63.154 63.100 0.090 0.000 0.800 1573 P CB 0.000 31.707 31.700 0.012 0.000 0.726