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 3myr_1_D DATA FIRST_RESID 1001 DATA SEQUENCE MSERIVVDPI TRIEGHLRIE AQMDGATIAQ AYSSGTMVRG IETILKGRDP DATA SEQUENCE RDAWAFVQRI CGVCTLVHGI ASVRAVEDAL RIELPLNAQL IRNLMIGAQY DATA SEQUENCE IHDHVMHFYH LHALDWVDVV SALSADPRAT SELAQSISAW PKSSPGYFAD DATA SEQUENCE TQKRIKTFVE SGQLGIFANG YWGHPAYRLP PEANLMAVAH YLEALAWQRD DATA SEQUENCE TAKFHAIFGG KNPHPNFVVG GVPSPIDLDS DSALNAKRLA EVRNLIQSMR DATA SEQUENCE TFVDQVYVPD TLAIAGFYKD WGERGEGLGN FLCYGDLPTG ASLDPATFLF DATA SEQUENCE PRGAILDRDL STIHEVDLEA TGEIQEFVNH SWYEYSVGND RGLHPYEGQT DATA SEQUENCE NLEYDRRGGV APPYKQLDVS DGYSWLKAPR WKGRSVEVGP LARVLMLYAT DATA SEQUENCE GHDQARELVD STLSRLDLPV DALYSTLGRT AARALESKIL VDAMQGWYDG DATA SEQUENCE LIANVKSGDT KTFNETLWEP SSWPSRAQGV GIMEAPRGAL GHWIVIEDGR DATA SEQUENCE IANYQAVVPS TWNAGPRDGR GQAGAYEAAL QDNHQLVDVK QPIEILRTIH DATA SEQUENCE SFDPCIACAV H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.259 176.300 -0.068 0.000 1.140 1001 M CA 0.000 55.253 55.300 -0.079 0.000 0.988 1001 M CB 0.000 32.551 32.600 -0.082 0.000 1.302 1002 S N 1.493 117.142 115.700 -0.085 0.000 4.186 1002 S HA 0.175 4.646 4.470 0.002 0.000 0.640 1002 S C -0.058 174.514 174.600 -0.046 0.000 0.883 1002 S CA 1.253 59.415 58.200 -0.063 0.000 1.084 1002 S CB -0.301 62.876 63.200 -0.038 0.000 0.394 1002 S HN 1.086 nan 8.310 nan 0.000 1.585 1003 E N -0.379 119.805 120.200 -0.028 0.000 4.157 1003 E HA -0.147 4.204 4.350 0.002 0.000 0.351 1003 E C -0.334 176.260 176.600 -0.010 0.000 0.691 1003 E CA 1.554 57.945 56.400 -0.015 0.000 1.380 1003 E CB -1.005 28.688 29.700 -0.013 0.000 1.727 1003 E HN 0.637 nan 8.360 nan 0.000 0.402 1004 R N 0.410 120.899 120.500 -0.017 0.000 2.410 1004 R HA 0.359 4.700 4.340 0.002 0.000 0.288 1004 R C 0.443 176.749 176.300 0.011 0.000 1.051 1004 R CA -0.907 55.191 56.100 -0.003 0.000 1.021 1004 R CB 0.647 30.937 30.300 -0.017 0.000 1.032 1004 R HN -0.000 nan 8.270 nan 0.000 0.481 1005 I N 2.689 123.271 120.570 0.019 0.000 2.710 1005 I HA -0.019 4.152 4.170 0.002 0.000 0.286 1005 I C 0.257 176.394 176.117 0.034 0.000 1.181 1005 I CA 0.307 61.620 61.300 0.022 0.000 1.430 1005 I CB 0.480 38.491 38.000 0.018 0.000 1.367 1005 I HN 0.272 nan 8.210 nan 0.000 0.577 1006 V N 7.239 127.176 119.914 0.038 0.000 2.487 1006 V HA 0.385 4.506 4.120 0.002 0.000 0.298 1006 V C -0.157 175.969 176.094 0.054 0.000 1.028 1006 V CA -0.701 61.633 62.300 0.057 0.000 0.860 1006 V CB 2.237 34.101 31.823 0.069 0.000 0.991 1006 V HN 0.413 nan 8.190 nan 0.000 0.427 1007 V N 3.767 123.719 119.914 0.064 0.000 2.326 1007 V HA 0.623 4.744 4.120 0.002 0.000 0.281 1007 V C -0.792 175.355 176.094 0.089 0.000 1.015 1007 V CA -0.255 62.084 62.300 0.064 0.000 0.823 1007 V CB 1.375 33.224 31.823 0.044 0.000 1.009 1007 V HN 0.934 nan 8.190 nan 0.000 0.436 1008 D N 5.483 125.938 120.400 0.092 0.000 2.548 1008 D HA 0.396 5.037 4.640 0.002 0.000 0.214 1008 D C -2.525 173.831 176.300 0.094 0.000 1.345 1008 D CA -0.629 53.437 54.000 0.110 0.000 0.945 1008 D CB 2.527 43.400 40.800 0.122 0.000 1.499 1008 D HN 0.427 nan 8.370 nan 0.000 0.579 1009 P HA 0.426 nan 4.420 nan 0.000 0.282 1009 P C -0.044 177.325 177.300 0.115 0.000 1.249 1009 P CA -0.658 62.520 63.100 0.130 0.000 0.806 1009 P CB 1.089 32.872 31.700 0.139 0.000 0.984 1010 I N 2.710 123.351 120.570 0.118 0.000 2.517 1010 I HA 0.054 4.225 4.170 0.002 0.000 0.285 1010 I C 1.332 177.531 176.117 0.136 0.000 1.106 1010 I CA 0.397 61.759 61.300 0.104 0.000 1.402 1010 I CB 0.276 38.325 38.000 0.082 0.000 1.399 1010 I HN 0.535 nan 8.210 nan 0.000 0.535 1011 T N 3.346 117.996 114.554 0.160 0.000 2.937 1011 T HA 0.511 4.862 4.350 0.002 0.000 0.283 1011 T C 0.618 175.451 174.700 0.222 0.000 1.012 1011 T CA -0.860 61.330 62.100 0.150 0.000 0.997 1011 T CB 1.349 70.281 68.868 0.106 0.000 1.136 1011 T HN 0.620 nan 8.240 nan 0.000 0.551 1012 R N -0.051 120.516 120.500 0.112 0.000 3.525 1012 R HA -0.134 4.207 4.340 0.002 0.000 0.276 1012 R C 0.093 176.410 176.300 0.028 0.000 1.116 1012 R CA 0.905 57.007 56.100 0.005 0.000 0.745 1012 R CB -2.190 28.008 30.300 -0.171 0.000 1.185 1012 R HN 0.814 nan 8.270 nan 0.000 0.454 1013 I N -4.626 116.029 120.570 0.141 0.000 3.516 1013 I HA 0.581 4.752 4.170 0.002 0.000 0.302 1013 I C -0.233 175.955 176.117 0.119 0.000 1.143 1013 I CA -1.130 60.274 61.300 0.173 0.000 1.003 1013 I CB 1.888 40.017 38.000 0.216 0.000 1.347 1013 I HN -0.229 nan 8.210 nan 0.000 0.486 1014 E N 1.285 121.561 120.200 0.126 0.000 2.156 1014 E HA 0.581 4.932 4.350 0.002 0.000 0.279 1014 E C 0.005 176.636 176.600 0.050 0.000 0.965 1014 E CA 0.673 57.125 56.400 0.088 0.000 0.789 1014 E CB 1.096 30.869 29.700 0.123 0.000 1.098 1014 E HN 1.021 nan 8.360 nan 0.000 0.397 1015 G N 4.178 112.934 108.800 -0.074 0.000 2.587 1015 G HA2 -0.211 3.750 3.960 0.002 0.000 0.212 1015 G HA3 -0.211 3.750 3.960 0.002 0.000 0.212 1015 G C -0.993 173.711 174.900 -0.327 0.000 1.327 1015 G CA -0.346 44.629 45.100 -0.209 0.000 0.898 1015 G HN 0.713 nan 8.290 nan 0.000 0.551 1016 H N -0.496 118.666 119.070 0.154 0.000 2.683 1016 H HA 0.601 5.157 4.556 0.001 0.000 0.270 1016 H C -0.065 175.377 175.328 0.190 0.000 1.201 1016 H CA -0.416 55.728 56.048 0.160 0.000 1.277 1016 H CB 1.232 31.084 29.762 0.150 0.000 1.400 1016 H HN 0.547 nan 8.280 nan 0.000 0.504 1017 L N 2.554 123.918 121.223 0.235 0.000 2.341 1017 L HA 0.504 4.845 4.340 0.002 0.000 0.278 1017 L C -0.660 176.339 176.870 0.215 0.000 1.005 1017 L CA -0.697 54.282 54.840 0.232 0.000 0.818 1017 L CB 1.437 43.623 42.059 0.212 0.000 1.259 1017 L HN 0.498 nan 8.230 nan 0.000 0.418 1018 R N 5.400 126.036 120.500 0.228 0.000 2.494 1018 R HA 0.654 4.995 4.340 0.002 0.000 0.305 1018 R C -1.532 174.876 176.300 0.180 0.000 0.959 1018 R CA -0.685 55.538 56.100 0.206 0.000 0.864 1018 R CB 1.080 31.533 30.300 0.255 0.000 1.159 1018 R HN 0.608 nan 8.270 nan 0.000 0.446 1019 I N 3.524 124.176 120.570 0.137 0.000 2.404 1019 I HA 0.355 4.526 4.170 0.002 0.000 0.293 1019 I C -0.193 175.985 176.117 0.102 0.000 0.992 1019 I CA -0.524 60.845 61.300 0.114 0.000 1.149 1019 I CB 1.823 39.865 38.000 0.070 0.000 1.315 1019 I HN 0.718 nan 8.210 nan 0.000 0.446 1020 E N 4.005 124.273 120.200 0.114 0.000 2.256 1020 E HA 0.808 5.159 4.350 0.002 0.000 0.267 1020 E C -1.039 175.646 176.600 0.142 0.000 0.892 1020 E CA -0.936 55.523 56.400 0.099 0.000 0.775 1020 E CB 2.983 32.708 29.700 0.041 0.000 1.207 1020 E HN 0.685 nan 8.360 nan 0.000 0.420 1021 A N 2.327 125.206 122.820 0.099 0.000 2.408 1021 A HA 0.307 4.628 4.320 0.002 0.000 0.295 1021 A C -1.108 176.521 177.584 0.074 0.000 1.040 1021 A CA -0.713 51.375 52.037 0.085 0.000 0.707 1021 A CB 1.616 20.638 19.000 0.036 0.000 1.235 1021 A HN 0.431 nan 8.150 nan 0.000 0.418 1022 Q N 2.772 122.630 119.800 0.097 0.000 2.307 1022 Q HA 0.413 4.754 4.340 0.002 0.000 0.261 1022 Q C -0.414 175.605 176.000 0.033 0.000 1.051 1022 Q CA 0.327 56.167 55.803 0.063 0.000 0.911 1022 Q CB 0.179 28.970 28.738 0.088 0.000 1.227 1022 Q HN 0.639 nan 8.270 nan 0.000 0.418 1023 M N 2.545 122.158 119.600 0.023 0.000 2.233 1023 M HA 0.238 4.719 4.480 0.002 0.000 0.355 1023 M C -0.508 175.799 176.300 0.011 0.000 1.191 1023 M CA -0.517 54.792 55.300 0.016 0.000 1.101 1023 M CB 1.116 33.724 32.600 0.014 0.000 1.592 1023 M HN 0.509 nan 8.290 nan 0.000 0.461 1024 D N 2.041 122.447 120.400 0.009 0.000 2.472 1024 D HA 0.504 5.145 4.640 0.002 0.000 0.234 1024 D C 0.925 177.228 176.300 0.005 0.000 1.088 1024 D CA 0.712 54.715 54.000 0.006 0.000 0.882 1024 D CB 0.524 41.326 40.800 0.004 0.000 1.037 1024 D HN 0.872 nan 8.370 nan 0.000 0.520 1025 G N 3.398 112.200 108.800 0.004 0.000 2.629 1025 G HA2 -0.344 3.617 3.960 0.002 0.000 0.313 1025 G HA3 -0.344 3.617 3.960 0.002 0.000 0.313 1025 G C 1.092 175.995 174.900 0.006 0.000 1.217 1025 G CA 0.744 45.846 45.100 0.003 0.000 0.994 1025 G HN 0.945 nan 8.290 nan 0.000 0.549 1026 A N -0.713 122.110 122.820 0.006 0.000 2.218 1026 A HA 0.537 4.858 4.320 0.002 0.000 0.209 1026 A C 1.341 178.936 177.584 0.017 0.000 1.168 1026 A CA 1.924 53.967 52.037 0.010 0.000 0.804 1026 A CB -0.107 18.898 19.000 0.008 0.000 0.834 1026 A HN 1.062 nan 8.150 nan 0.000 0.482 1027 T N 1.185 115.748 114.554 0.015 0.000 2.856 1027 T HA 0.438 4.789 4.350 0.002 0.000 0.292 1027 T C 0.149 174.865 174.700 0.026 0.000 0.980 1027 T CA -0.118 61.994 62.100 0.021 0.000 1.091 1027 T CB 0.787 69.662 68.868 0.012 0.000 0.936 1027 T HN 0.229 nan 8.240 nan 0.000 0.503 1028 I N 3.016 123.612 120.570 0.042 0.000 2.505 1028 I HA 0.133 4.304 4.170 0.002 0.000 0.287 1028 I C 1.271 177.394 176.117 0.009 0.000 1.104 1028 I CA -0.229 61.087 61.300 0.027 0.000 1.387 1028 I CB 0.637 38.653 38.000 0.025 0.000 1.404 1028 I HN 0.789 nan 8.210 nan 0.000 0.528 1029 A N 6.350 129.170 122.820 -0.001 0.000 1.942 1029 A HA 0.163 4.484 4.320 0.002 0.000 0.209 1029 A C 0.841 178.401 177.584 -0.041 0.000 1.214 1029 A CA 0.626 52.656 52.037 -0.012 0.000 0.686 1029 A CB 0.369 19.367 19.000 -0.002 0.000 0.871 1029 A HN 0.662 nan 8.150 nan 0.000 0.460 1030 Q N -0.939 118.833 119.800 -0.047 0.000 2.331 1030 Q HA 0.667 5.008 4.340 0.002 0.000 0.272 1030 Q C -1.302 174.588 176.000 -0.184 0.000 1.062 1030 Q CA -0.276 55.440 55.803 -0.145 0.000 0.806 1030 Q CB 1.989 30.669 28.738 -0.098 0.000 1.312 1030 Q HN 0.378 nan 8.270 nan 0.000 0.431 1031 A N 2.475 125.078 122.820 -0.362 0.000 2.365 1031 A HA 0.831 5.152 4.320 0.002 0.000 0.318 1031 A C -1.625 175.607 177.584 -0.587 0.000 1.091 1031 A CA -0.452 51.418 52.037 -0.278 0.000 0.763 1031 A CB 0.953 19.862 19.000 -0.153 0.000 1.248 1031 A HN 0.608 nan 8.150 nan 0.000 0.442 1032 Y N 0.599 120.827 120.300 -0.121 0.000 2.391 1032 Y HA 0.566 5.116 4.550 0.001 0.000 0.341 1032 Y C 0.579 176.470 175.900 -0.014 0.000 0.965 1032 Y CA -0.382 57.613 58.100 -0.175 0.000 1.067 1032 Y CB 2.485 40.667 38.460 -0.464 0.000 1.199 1032 Y HN 0.598 nan 8.280 nan 0.000 0.450 1033 S N 2.424 118.260 115.700 0.227 0.000 2.437 1033 S HA 0.627 5.098 4.470 0.002 0.000 0.305 1033 S C -0.759 173.991 174.600 0.250 0.000 1.109 1033 S CA -0.347 57.975 58.200 0.204 0.000 1.099 1033 S CB 0.832 64.100 63.200 0.113 0.000 1.004 1033 S HN 0.585 nan 8.310 nan 0.000 0.475 1034 S N 3.529 119.361 115.700 0.220 0.000 2.647 1034 S HA 0.667 5.138 4.470 0.002 0.000 0.300 1034 S C -0.089 174.645 174.600 0.224 0.000 1.129 1034 S CA -0.513 57.808 58.200 0.200 0.000 1.029 1034 S CB 0.889 64.246 63.200 0.261 0.000 1.007 1034 S HN 0.980 nan 8.310 nan 0.000 0.484 1035 G N 2.144 111.067 108.800 0.204 0.000 2.320 1035 G HA2 0.431 4.392 3.960 0.002 0.000 0.300 1035 G HA3 0.431 4.392 3.960 0.002 0.000 0.300 1035 G C 0.645 175.846 174.900 0.501 0.000 1.126 1035 G CA -0.310 44.976 45.100 0.309 0.000 0.896 1035 G HN 0.822 nan 8.290 nan 0.000 0.436 1036 T N 0.400 115.257 114.554 0.504 0.000 3.248 1036 T HA 0.455 4.806 4.350 0.002 0.000 0.271 1036 T C 0.386 175.338 174.700 0.420 0.000 1.005 1036 T CA -0.472 61.988 62.100 0.600 0.000 0.902 1036 T CB -0.028 69.112 68.868 0.454 0.000 1.102 1036 T HN 0.404 nan 8.240 nan 0.000 0.548 1037 M N 1.685 121.477 119.600 0.320 0.000 2.378 1037 M HA 0.637 5.118 4.480 0.002 0.000 0.289 1037 M C -2.179 174.018 176.300 -0.172 0.000 1.136 1037 M CA -0.870 54.433 55.300 0.004 0.000 0.917 1037 M CB 2.351 34.993 32.600 0.071 0.000 1.669 1037 M HN 0.081 nan 8.290 nan 0.000 0.461 1038 V N 5.958 125.554 119.914 -0.529 0.000 2.914 1038 V HA 0.632 4.753 4.120 0.002 0.000 0.314 1038 V C -0.059 175.830 176.094 -0.342 0.000 1.084 1038 V CA -0.232 61.745 62.300 -0.540 0.000 0.963 1038 V CB 2.601 33.740 31.823 -1.140 0.000 1.025 1038 V HN 1.076 nan 8.190 nan 0.000 0.432 1039 R N 3.129 123.513 120.500 -0.193 0.000 2.350 1039 R HA 0.419 4.760 4.340 0.002 0.000 0.199 1039 R C 1.081 177.333 176.300 -0.080 0.000 0.876 1039 R CA 0.570 56.600 56.100 -0.116 0.000 1.062 1039 R CB 0.860 31.134 30.300 -0.042 0.000 1.263 1039 R HN 1.258 nan 8.270 nan 0.000 0.641 1040 G N 1.608 110.381 108.800 -0.044 0.000 2.203 1040 G HA2 -0.211 3.750 3.960 0.002 0.000 0.231 1040 G HA3 -0.211 3.750 3.960 0.002 0.000 0.231 1040 G C 0.539 175.455 174.900 0.026 0.000 1.058 1040 G CA 0.071 45.174 45.100 0.005 0.000 0.781 1040 G HN 0.208 nan 8.290 nan 0.000 0.496 1041 I N -0.230 120.364 120.570 0.041 0.000 2.361 1041 I HA -0.154 4.017 4.170 0.002 0.000 0.251 1041 I C 2.581 178.687 176.117 -0.017 0.000 1.133 1041 I CA 1.873 63.186 61.300 0.022 0.000 1.413 1041 I CB -0.184 37.831 38.000 0.024 0.000 1.073 1041 I HN 0.428 nan 8.210 nan 0.000 0.424 1042 E N 0.262 120.488 120.200 0.044 0.000 2.118 1042 E HA -0.192 4.159 4.350 0.002 0.000 0.195 1042 E C 2.131 178.738 176.600 0.011 0.000 0.992 1042 E CA 1.903 58.327 56.400 0.039 0.000 0.804 1042 E CB -0.109 29.670 29.700 0.132 0.000 0.741 1042 E HN 0.456 nan 8.360 nan 0.000 0.458 1043 T N 0.920 115.490 114.554 0.026 0.000 2.777 1043 T HA -0.094 4.257 4.350 0.002 0.000 0.266 1043 T C 1.919 176.604 174.700 -0.024 0.000 1.040 1043 T CA 0.799 62.908 62.100 0.016 0.000 1.141 1043 T CB -0.164 68.726 68.868 0.036 0.000 0.868 1043 T HN 0.108 nan 8.240 nan 0.000 0.444 1044 I N 0.818 121.366 120.570 -0.036 0.000 2.335 1044 I HA -0.137 4.033 4.170 0.002 0.000 0.251 1044 I C 2.100 178.109 176.117 -0.180 0.000 1.129 1044 I CA 1.108 62.374 61.300 -0.057 0.000 1.402 1044 I CB -0.340 37.664 38.000 0.007 0.000 1.069 1044 I HN 0.212 nan 8.210 nan 0.000 0.424 1045 L N 0.292 121.364 121.223 -0.251 0.000 2.201 1045 L HA -0.113 4.228 4.340 0.002 0.000 0.212 1045 L C 1.009 177.746 176.870 -0.222 0.000 1.105 1045 L CA 0.666 55.275 54.840 -0.386 0.000 0.775 1045 L CB -0.455 41.359 42.059 -0.408 0.000 0.913 1045 L HN 0.123 nan 8.230 nan 0.000 0.440 1046 K N 0.564 120.901 120.400 -0.106 0.000 2.511 1046 K HA 0.078 4.399 4.320 0.002 0.000 0.280 1046 K C 1.121 177.685 176.600 -0.060 0.000 1.008 1046 K CA 0.726 56.984 56.287 -0.048 0.000 1.050 1046 K CB 0.106 32.598 32.500 -0.013 0.000 0.889 1046 K HN 0.296 nan 8.250 nan 0.000 0.484 1047 G N 2.365 111.145 108.800 -0.033 0.000 2.199 1047 G HA2 -0.298 3.663 3.960 0.002 0.000 0.254 1047 G HA3 -0.298 3.663 3.960 0.002 0.000 0.254 1047 G C 0.175 175.049 174.900 -0.043 0.000 0.982 1047 G CA 0.015 45.099 45.100 -0.027 0.000 0.632 1047 G HN 0.589 nan 8.290 nan 0.000 0.529 1048 R N 0.329 120.775 120.500 -0.089 0.000 2.541 1048 R HA 0.444 4.785 4.340 0.002 0.000 0.263 1048 R C -0.321 175.954 176.300 -0.041 0.000 1.112 1048 R CA -0.576 55.456 56.100 -0.114 0.000 1.170 1048 R CB 0.436 30.558 30.300 -0.297 0.000 1.167 1048 R HN 0.204 nan 8.270 nan 0.000 0.582 1049 D N 0.897 121.288 120.400 -0.015 0.000 2.351 1049 D HA 0.055 4.696 4.640 0.002 0.000 0.251 1049 D C -1.722 174.637 176.300 0.097 0.000 1.137 1049 D CA -1.836 52.204 54.000 0.067 0.000 0.879 1049 D CB 1.457 42.289 40.800 0.052 0.000 1.181 1049 D HN 0.111 nan 8.370 nan 0.000 0.448 1050 P HA -0.066 nan 4.420 nan 0.000 0.219 1050 P C 1.134 178.547 177.300 0.188 0.000 1.146 1050 P CA 1.005 64.194 63.100 0.147 0.000 0.808 1050 P CB 0.268 31.994 31.700 0.044 0.000 0.779 1051 R N -0.590 120.045 120.500 0.224 0.000 2.120 1051 R HA -0.111 4.229 4.340 0.002 0.000 0.234 1051 R C 1.359 177.866 176.300 0.345 0.000 1.123 1051 R CA 1.337 57.604 56.100 0.279 0.000 0.975 1051 R CB -0.642 29.715 30.300 0.094 0.000 0.866 1051 R HN 0.227 nan 8.270 nan 0.000 0.446 1052 D N 0.339 120.847 120.400 0.180 0.000 2.317 1052 D HA 0.003 4.644 4.640 0.002 0.000 0.211 1052 D C 1.660 177.942 176.300 -0.030 0.000 0.966 1052 D CA 0.831 54.872 54.000 0.067 0.000 0.876 1052 D CB -0.050 40.819 40.800 0.114 0.000 0.927 1052 D HN 0.194 nan 8.370 nan 0.000 0.519 1053 A N 1.760 124.598 122.820 0.030 0.000 1.940 1053 A HA -0.180 4.141 4.320 0.002 0.000 0.219 1053 A C 2.100 179.707 177.584 0.037 0.000 1.176 1053 A CA 1.512 53.519 52.037 -0.050 0.000 0.631 1053 A CB -1.283 17.706 19.000 -0.019 0.000 0.814 1053 A HN 0.581 nan 8.150 nan 0.000 0.446 1054 W N -0.490 120.927 121.300 0.195 0.000 2.342 1054 W HA -0.112 4.556 4.660 0.013 0.000 0.297 1054 W C 1.887 178.516 176.519 0.183 0.000 1.213 1054 W CA 1.377 58.834 57.345 0.187 0.000 1.251 1054 W CB -1.199 28.374 29.460 0.188 0.000 1.136 1054 W HN 0.392 nan 8.180 nan 0.000 0.526 1055 A N 0.628 122.760 122.820 -1.146 0.000 1.969 1055 A HA -0.060 4.261 4.320 0.002 0.000 0.218 1055 A C 1.822 179.131 177.584 -0.459 0.000 1.169 1055 A CA 1.363 52.723 52.037 -1.129 0.000 0.635 1055 A CB -1.204 16.940 19.000 -1.426 0.000 0.810 1055 A HN 0.252 nan 8.150 nan 0.000 0.445 1056 F N -0.046 119.672 119.950 -0.386 0.000 2.098 1056 F HA -0.097 4.421 4.527 -0.014 0.000 0.294 1056 F C 2.514 178.189 175.800 -0.207 0.000 1.107 1056 F CA 1.735 59.577 58.000 -0.263 0.000 1.234 1056 F CB -0.618 38.227 39.000 -0.258 0.000 1.002 1056 F HN 0.135 nan 8.300 nan 0.000 0.472 1057 V N -1.728 118.210 119.914 0.041 0.000 2.871 1057 V HA -0.184 3.937 4.120 0.002 0.000 0.256 1057 V C 1.975 178.107 176.094 0.064 0.000 1.082 1057 V CA 1.482 63.772 62.300 -0.016 0.000 1.105 1057 V CB -1.147 30.655 31.823 -0.036 0.000 0.713 1057 V HN 0.457 nan 8.190 nan 0.000 0.473 1058 Q N 0.708 120.587 119.800 0.132 0.000 2.181 1058 Q HA -0.219 4.122 4.340 0.002 0.000 0.205 1058 Q C 2.045 178.045 176.000 0.001 0.000 0.980 1058 Q CA 1.827 57.729 55.803 0.166 0.000 0.862 1058 Q CB -0.029 28.833 28.738 0.206 0.000 0.905 1058 Q HN 0.523 nan 8.270 nan 0.000 0.429 1059 R N -0.006 120.401 120.500 -0.155 0.000 2.319 1059 R HA 0.161 4.501 4.340 0.002 0.000 0.204 1059 R C 1.517 177.831 176.300 0.023 0.000 0.954 1059 R CA 0.140 56.167 56.100 -0.122 0.000 1.066 1059 R CB -0.159 30.034 30.300 -0.179 0.000 0.991 1059 R HN 0.387 nan 8.270 nan 0.000 0.486 1060 I N -1.319 119.242 120.570 -0.014 0.000 2.248 1060 I HA -0.289 3.882 4.170 0.002 0.000 0.248 1060 I C 0.589 176.777 176.117 0.118 0.000 1.107 1060 I CA 0.964 62.243 61.300 -0.034 0.000 1.373 1060 I CB 0.079 37.847 38.000 -0.387 0.000 1.055 1060 I HN 0.167 nan 8.210 nan 0.000 0.418 1061 C N -0.559 118.885 119.300 0.240 0.000 3.046 1061 C HA 0.506 4.967 4.460 0.002 0.000 0.388 1061 C C 1.042 176.264 174.990 0.387 0.000 1.041 1061 C CA -0.528 58.672 59.018 0.304 0.000 1.241 1061 C CB 0.972 28.898 27.740 0.309 0.000 1.638 1061 C HN 0.496 nan 8.230 nan 0.000 0.539 1062 G N 2.569 111.524 108.800 0.259 0.000 3.020 1062 G HA2 0.217 4.178 3.960 0.002 0.000 0.217 1062 G HA3 0.217 4.178 3.960 0.002 0.000 0.217 1062 G C 0.965 175.904 174.900 0.066 0.000 1.144 1062 G CA 0.987 46.130 45.100 0.071 0.000 0.760 1062 G HN 0.694 nan 8.290 nan 0.000 0.548 1063 V N 1.409 121.405 119.914 0.136 0.000 2.256 1063 V HA -0.089 4.032 4.120 0.002 0.000 0.240 1063 V C 2.318 178.508 176.094 0.159 0.000 1.036 1063 V CA 1.482 63.869 62.300 0.145 0.000 1.008 1063 V CB -0.668 31.247 31.823 0.153 0.000 0.648 1063 V HN 0.577 nan 8.190 nan 0.000 0.453 1064 C N 1.324 120.723 119.300 0.166 0.000 3.305 1064 C HA 0.407 4.867 4.460 0.002 0.000 0.566 1064 C C 1.175 176.278 174.990 0.189 0.000 1.178 1064 C CA -0.996 58.103 59.018 0.135 0.000 1.317 1064 C CB -2.462 25.324 27.740 0.077 0.000 1.634 1064 C HN 0.466 nan 8.230 nan 0.000 0.643 1065 T N 0.530 115.210 114.554 0.211 0.000 2.724 1065 T HA 0.207 4.558 4.350 0.002 0.000 0.324 1065 T C 1.147 176.001 174.700 0.257 0.000 1.071 1065 T CA 1.189 63.467 62.100 0.297 0.000 1.061 1065 T CB 0.215 69.213 68.868 0.216 0.000 0.990 1065 T HN 1.528 nan 8.240 nan 0.000 0.543 1066 L N 1.504 122.916 121.223 0.315 0.000 3.737 1066 L HA -0.289 4.052 4.340 0.002 0.000 0.370 1066 L C 1.818 178.662 176.870 -0.045 0.000 0.709 1066 L CA 2.402 57.374 54.840 0.221 0.000 2.983 1066 L CB -1.999 40.163 42.059 0.171 0.000 0.704 1066 L HN 0.646 nan 8.230 nan 0.000 0.728 1067 V N -2.938 116.956 119.914 -0.033 0.000 2.427 1067 V HA -0.220 3.901 4.120 0.002 0.000 0.248 1067 V C 2.327 178.257 176.094 -0.274 0.000 1.051 1067 V CA 2.053 64.242 62.300 -0.185 0.000 1.048 1067 V CB -1.118 30.573 31.823 -0.220 0.000 0.666 1067 V HN 0.697 nan 8.190 nan 0.000 0.456 1068 H N 1.086 120.155 119.070 -0.001 0.000 2.462 1068 H HA 0.098 4.657 4.556 0.004 0.000 0.292 1068 H C 2.430 177.755 175.328 -0.006 0.000 1.049 1068 H CA 1.474 57.550 56.048 0.048 0.000 1.334 1068 H CB -0.418 29.489 29.762 0.243 0.000 1.404 1068 H HN 0.595 nan 8.280 nan 0.000 0.544 1069 G N 1.504 110.289 108.800 -0.025 0.000 2.404 1069 G HA2 -0.163 3.798 3.960 0.002 0.000 0.215 1069 G HA3 -0.163 3.798 3.960 0.002 0.000 0.215 1069 G C 1.754 176.309 174.900 -0.575 0.000 1.174 1069 G CA 0.315 45.279 45.100 -0.226 0.000 0.780 1069 G HN 0.173 nan 8.290 nan 0.000 0.537 1070 I N 1.896 122.001 120.570 -0.775 0.000 2.142 1070 I HA -0.157 4.014 4.170 0.002 0.000 0.240 1070 I C 3.326 179.250 176.117 -0.321 0.000 1.078 1070 I CA 1.380 62.352 61.300 -0.547 0.000 1.343 1070 I CB -1.289 36.473 38.000 -0.397 0.000 1.046 1070 I HN 0.267 nan 8.210 nan 0.000 0.405 1071 A N 0.000 122.606 122.820 -0.356 0.000 1.917 1071 A HA -0.259 4.062 4.320 0.002 0.000 0.219 1071 A C 2.633 180.030 177.584 -0.311 0.000 1.182 1071 A CA 2.417 54.180 52.037 -0.456 0.000 0.633 1071 A CB -0.867 17.613 19.000 -0.866 0.000 0.819 1071 A HN 0.442 nan 8.150 nan 0.000 0.448 1072 S N -0.588 115.060 115.700 -0.087 0.000 2.355 1072 S HA -0.141 4.330 4.470 0.002 0.000 0.222 1072 S C 2.068 176.780 174.600 0.185 0.000 1.031 1072 S CA 1.997 60.371 58.200 0.290 0.000 0.993 1072 S CB -0.794 62.716 63.200 0.517 0.000 0.859 1072 S HN 0.947 nan 8.310 nan 0.000 0.453 1073 V N 0.456 120.432 119.914 0.104 0.000 2.407 1073 V HA -0.047 4.074 4.120 0.002 0.000 0.248 1073 V C 2.328 178.433 176.094 0.019 0.000 1.055 1073 V CA 1.698 64.052 62.300 0.090 0.000 1.049 1073 V CB -1.044 30.800 31.823 0.036 0.000 0.662 1073 V HN 0.352 nan 8.190 nan 0.000 0.455 1074 R N 0.957 121.427 120.500 -0.050 0.000 2.096 1074 R HA 0.001 4.342 4.340 0.002 0.000 0.235 1074 R C 2.557 178.810 176.300 -0.078 0.000 1.127 1074 R CA 1.552 57.608 56.100 -0.074 0.000 0.968 1074 R CB -0.675 29.555 30.300 -0.117 0.000 0.861 1074 R HN 0.636 nan 8.270 nan 0.000 0.440 1075 A N 0.521 123.293 122.820 -0.080 0.000 1.898 1075 A HA -0.089 4.232 4.320 0.002 0.000 0.216 1075 A C 2.295 179.838 177.584 -0.069 0.000 1.181 1075 A CA 1.217 53.191 52.037 -0.105 0.000 0.620 1075 A CB -0.371 18.554 19.000 -0.125 0.000 0.819 1075 A HN 0.114 nan 8.150 nan 0.000 0.442 1076 V N 0.016 119.916 119.914 -0.023 0.000 2.515 1076 V HA -0.228 3.893 4.120 0.002 0.000 0.250 1076 V C 2.310 178.341 176.094 -0.106 0.000 1.058 1076 V CA 2.185 64.444 62.300 -0.069 0.000 1.064 1076 V CB -0.801 31.011 31.823 -0.020 0.000 0.675 1076 V HN 0.625 nan 8.190 nan 0.000 0.461 1077 E N -0.064 120.103 120.200 -0.056 0.000 2.107 1077 E HA -0.212 4.139 4.350 0.002 0.000 0.191 1077 E C 1.928 178.489 176.600 -0.065 0.000 0.982 1077 E CA 1.300 57.668 56.400 -0.054 0.000 0.809 1077 E CB -0.106 29.580 29.700 -0.025 0.000 0.756 1077 E HN 0.667 nan 8.360 nan 0.000 0.459 1078 D N 0.386 120.748 120.400 -0.064 0.000 2.084 1078 D HA -0.120 4.521 4.640 0.002 0.000 0.196 1078 D C 1.934 178.199 176.300 -0.058 0.000 0.985 1078 D CA 1.496 55.463 54.000 -0.054 0.000 0.826 1078 D CB -0.045 40.721 40.800 -0.057 0.000 0.978 1078 D HN 0.133 nan 8.370 nan 0.000 0.456 1079 A N -0.124 122.650 122.820 -0.075 0.000 1.917 1079 A HA -0.132 4.189 4.320 0.002 0.000 0.219 1079 A C 1.825 179.332 177.584 -0.128 0.000 1.182 1079 A CA 1.197 53.178 52.037 -0.092 0.000 0.633 1079 A CB -0.492 18.436 19.000 -0.121 0.000 0.819 1079 A HN 0.370 nan 8.150 nan 0.000 0.448 1080 L N -2.346 118.774 121.223 -0.171 0.000 2.640 1080 L HA 0.312 4.653 4.340 0.002 0.000 0.230 1080 L C 0.990 177.798 176.870 -0.103 0.000 1.123 1080 L CA 0.553 55.276 54.840 -0.196 0.000 0.900 1080 L CB -0.899 40.944 42.059 -0.361 0.000 1.146 1080 L HN 0.513 nan 8.230 nan 0.000 0.484 1081 R N 0.005 120.461 120.500 -0.073 0.000 3.423 1081 R HA -0.166 4.175 4.340 0.002 0.000 0.271 1081 R C -0.263 176.016 176.300 -0.035 0.000 1.093 1081 R CA 0.210 56.284 56.100 -0.043 0.000 0.730 1081 R CB -1.695 28.588 30.300 -0.028 0.000 1.190 1081 R HN 0.177 nan 8.270 nan 0.000 0.437 1082 I N 2.234 122.779 120.570 -0.042 0.000 2.312 1082 I HA 0.069 4.240 4.170 0.002 0.000 0.291 1082 I C 0.973 177.070 176.117 -0.033 0.000 1.031 1082 I CA -0.188 61.092 61.300 -0.033 0.000 1.293 1082 I CB 0.943 38.927 38.000 -0.027 0.000 1.403 1082 I HN 0.138 nan 8.210 nan 0.000 0.484 1083 E N 7.150 127.330 120.200 -0.034 0.000 2.313 1083 E HA 0.373 4.724 4.350 0.002 0.000 0.276 1083 E C -0.801 175.773 176.600 -0.042 0.000 1.031 1083 E CA -0.711 55.670 56.400 -0.032 0.000 0.857 1083 E CB 1.467 31.151 29.700 -0.026 0.000 1.040 1083 E HN 0.496 nan 8.360 nan 0.000 0.408 1084 L N 3.890 125.092 121.223 -0.034 0.000 2.380 1084 L HA 0.233 4.574 4.340 0.002 0.000 0.273 1084 L C -1.947 174.903 176.870 -0.033 0.000 1.138 1084 L CA -1.974 52.845 54.840 -0.035 0.000 0.832 1084 L CB 0.608 42.651 42.059 -0.028 0.000 1.124 1084 L HN 0.429 nan 8.230 nan 0.000 0.454 1085 P HA -0.074 nan 4.420 nan 0.000 0.265 1085 P C 0.547 177.834 177.300 -0.021 0.000 1.193 1085 P CA -0.270 62.815 63.100 -0.024 0.000 0.765 1085 P CB 0.604 32.295 31.700 -0.015 0.000 0.823 1086 L N 4.088 125.301 121.223 -0.017 0.000 2.051 1086 L HA -0.263 4.078 4.340 0.002 0.000 0.214 1086 L C 1.606 178.461 176.870 -0.025 0.000 1.076 1086 L CA 2.089 56.919 54.840 -0.017 0.000 0.758 1086 L CB -1.060 40.995 42.059 -0.006 0.000 0.890 1086 L HN 0.316 nan 8.230 nan 0.000 0.433 1087 N N -0.029 118.659 118.700 -0.020 0.000 2.223 1087 N HA -0.122 4.619 4.740 0.002 0.000 0.185 1087 N C 1.790 177.270 175.510 -0.050 0.000 1.016 1087 N CA 1.491 54.525 53.050 -0.027 0.000 0.863 1087 N CB -0.394 38.087 38.487 -0.011 0.000 0.983 1087 N HN 0.583 nan 8.380 nan 0.000 0.429 1088 A N 0.639 123.436 122.820 -0.039 0.000 1.929 1088 A HA -0.130 4.190 4.320 0.002 0.000 0.216 1088 A C 2.244 179.778 177.584 -0.083 0.000 1.176 1088 A CA 1.222 53.230 52.037 -0.049 0.000 0.628 1088 A CB -0.475 18.518 19.000 -0.010 0.000 0.816 1088 A HN 0.195 nan 8.150 nan 0.000 0.444 1089 Q N -0.713 119.039 119.800 -0.079 0.000 2.079 1089 Q HA -0.092 4.249 4.340 0.002 0.000 0.200 1089 Q C 1.761 177.650 176.000 -0.185 0.000 0.974 1089 Q CA 1.291 57.027 55.803 -0.113 0.000 0.840 1089 Q CB -0.327 28.362 28.738 -0.082 0.000 0.898 1089 Q HN 0.426 nan 8.270 nan 0.000 0.430 1090 L N -0.028 121.105 121.223 -0.150 0.000 2.046 1090 L HA -0.102 4.239 4.340 0.002 0.000 0.208 1090 L C 2.150 178.899 176.870 -0.201 0.000 1.077 1090 L CA 1.519 56.263 54.840 -0.160 0.000 0.747 1090 L CB -0.973 41.061 42.059 -0.042 0.000 0.896 1090 L HN 0.339 nan 8.230 nan 0.000 0.432 1091 I N -0.977 119.454 120.570 -0.231 0.000 2.179 1091 I HA -0.325 3.846 4.170 0.002 0.000 0.242 1091 I C 2.651 178.576 176.117 -0.319 0.000 1.088 1091 I CA 1.006 62.059 61.300 -0.412 0.000 1.357 1091 I CB -0.277 37.435 38.000 -0.480 0.000 1.051 1091 I HN 0.233 nan 8.210 nan 0.000 0.409 1092 R N 0.804 121.176 120.500 -0.214 0.000 2.096 1092 R HA -0.215 4.126 4.340 0.002 0.000 0.240 1092 R C 2.075 178.246 176.300 -0.215 0.000 1.139 1092 R CA 2.170 58.182 56.100 -0.146 0.000 0.952 1092 R CB -0.715 29.517 30.300 -0.114 0.000 0.854 1092 R HN 0.530 nan 8.270 nan 0.000 0.436 1093 N N 0.425 118.890 118.700 -0.393 0.000 2.104 1093 N HA -0.175 4.566 4.740 0.002 0.000 0.190 1093 N C 1.898 177.117 175.510 -0.485 0.000 1.024 1093 N CA 0.971 53.579 53.050 -0.736 0.000 0.853 1093 N CB -0.143 37.420 38.487 -1.540 0.000 1.008 1093 N HN 0.137 nan 8.380 nan 0.000 0.424 1094 L N 0.571 121.697 121.223 -0.161 0.000 2.046 1094 L HA -0.147 4.194 4.340 0.002 0.000 0.208 1094 L C 2.400 179.415 176.870 0.242 0.000 1.077 1094 L CA 1.144 56.112 54.840 0.213 0.000 0.747 1094 L CB -0.226 42.058 42.059 0.376 0.000 0.896 1094 L HN 0.249 nan 8.230 nan 0.000 0.432 1095 M N -0.886 118.855 119.600 0.235 0.000 2.175 1095 M HA -0.188 4.293 4.480 0.002 0.000 0.264 1095 M C 2.245 178.742 176.300 0.328 0.000 1.063 1095 M CA 1.669 57.213 55.300 0.408 0.000 1.119 1095 M CB -0.238 32.493 32.600 0.218 0.000 1.377 1095 M HN 0.175 nan 8.290 nan 0.000 0.415 1096 I N -0.154 120.498 120.570 0.137 0.000 2.163 1096 I HA -0.235 3.936 4.170 0.002 0.000 0.243 1096 I C 2.581 178.825 176.117 0.213 0.000 1.085 1096 I CA 1.589 62.977 61.300 0.148 0.000 1.347 1096 I CB -1.044 36.963 38.000 0.012 0.000 1.044 1096 I HN 0.373 nan 8.210 nan 0.000 0.408 1097 G N 0.393 109.264 108.800 0.119 0.000 2.418 1097 G HA2 -0.248 3.713 3.960 0.002 0.000 0.217 1097 G HA3 -0.248 3.713 3.960 0.002 0.000 0.217 1097 G C 1.858 176.831 174.900 0.122 0.000 1.158 1097 G CA 0.845 46.037 45.100 0.154 0.000 0.771 1097 G HN 0.505 nan 8.290 nan 0.000 0.545 1098 A N 0.187 123.005 122.820 -0.003 0.000 1.933 1098 A HA -0.105 4.216 4.320 0.002 0.000 0.218 1098 A C 2.307 179.899 177.584 0.013 0.000 1.175 1098 A CA 2.317 54.252 52.037 -0.170 0.000 0.628 1098 A CB -0.417 18.250 19.000 -0.555 0.000 0.814 1098 A HN 0.437 nan 8.150 nan 0.000 0.444 1099 Q N -1.207 118.711 119.800 0.196 0.000 2.046 1099 Q HA -0.166 4.175 4.340 0.002 0.000 0.200 1099 Q C 1.724 177.846 176.000 0.204 0.000 0.975 1099 Q CA 1.993 57.943 55.803 0.244 0.000 0.836 1099 Q CB -0.647 28.296 28.738 0.343 0.000 0.896 1099 Q HN 0.659 nan 8.270 nan 0.000 0.428 1100 Y N -0.022 120.290 120.300 0.020 0.000 2.128 1100 Y HA -0.194 4.357 4.550 0.002 0.000 0.284 1100 Y C 2.059 177.872 175.900 -0.145 0.000 1.154 1100 Y CA 1.676 59.677 58.100 -0.165 0.000 1.149 1100 Y CB -0.207 38.180 38.460 -0.121 0.000 0.976 1100 Y HN 0.148 nan 8.280 nan 0.000 0.505 1101 I N -1.537 119.180 120.570 0.245 0.000 2.233 1101 I HA -0.317 3.854 4.170 0.002 0.000 0.243 1101 I C 2.631 178.986 176.117 0.398 0.000 1.093 1101 I CA 1.415 62.906 61.300 0.320 0.000 1.380 1101 I CB -0.564 37.630 38.000 0.322 0.000 1.067 1101 I HN 0.309 nan 8.210 nan 0.000 0.413 1102 H N 0.840 120.046 119.070 0.227 0.000 2.289 1102 H HA -0.258 4.299 4.556 0.002 0.000 0.296 1102 H C 1.807 177.255 175.328 0.200 0.000 1.091 1102 H CA 2.331 58.478 56.048 0.165 0.000 1.274 1102 H CB -0.096 29.633 29.762 -0.056 0.000 1.364 1102 H HN 0.287 nan 8.280 nan 0.000 0.490 1103 D N -0.553 119.994 120.400 0.246 0.000 2.117 1103 D HA -0.132 4.509 4.640 0.002 0.000 0.198 1103 D C 2.130 178.585 176.300 0.258 0.000 0.982 1103 D CA 0.828 54.956 54.000 0.214 0.000 0.828 1103 D CB -0.157 40.715 40.800 0.121 0.000 0.967 1103 D HN 0.444 nan 8.370 nan 0.000 0.464 1104 H N -0.113 119.051 119.070 0.157 0.000 2.353 1104 H HA -0.029 4.528 4.556 0.002 0.000 0.300 1104 H C 2.385 177.672 175.328 -0.068 0.000 1.090 1104 H CA 0.694 56.826 56.048 0.140 0.000 1.327 1104 H CB -0.564 29.357 29.762 0.266 0.000 1.383 1104 H HN 0.038 nan 8.280 nan 0.000 0.508 1105 V N 0.773 120.663 119.914 -0.040 0.000 2.343 1105 V HA -0.257 3.864 4.120 0.002 0.000 0.247 1105 V C 2.559 178.625 176.094 -0.047 0.000 1.051 1105 V CA 1.719 63.839 62.300 -0.300 0.000 1.036 1105 V CB -0.487 31.245 31.823 -0.152 0.000 0.654 1105 V HN 0.338 nan 8.190 nan 0.000 0.451 1106 M N -1.208 118.413 119.600 0.036 0.000 2.175 1106 M HA -0.144 4.337 4.480 0.002 0.000 0.264 1106 M C 2.280 178.601 176.300 0.035 0.000 1.063 1106 M CA 1.596 56.934 55.300 0.063 0.000 1.119 1106 M CB -0.684 31.983 32.600 0.112 0.000 1.377 1106 M HN 0.492 nan 8.290 nan 0.000 0.415 1107 H N 0.004 119.105 119.070 0.052 0.000 2.290 1107 H HA -0.246 4.311 4.556 0.001 0.000 0.298 1107 H C 2.021 177.376 175.328 0.046 0.000 1.087 1107 H CA 2.300 58.386 56.048 0.063 0.000 1.291 1107 H CB -0.358 29.472 29.762 0.113 0.000 1.369 1107 H HN 0.386 nan 8.280 nan 0.000 0.492 1108 F N 0.515 120.323 119.950 -0.237 0.000 2.102 1108 F HA -0.249 4.279 4.527 0.001 0.000 0.298 1108 F C 1.977 177.509 175.800 -0.447 0.000 1.105 1108 F CA 1.558 59.365 58.000 -0.321 0.000 1.239 1108 F CB -0.505 38.281 39.000 -0.357 0.000 0.991 1108 F HN 0.091 nan 8.300 nan 0.000 0.474 1109 Y N -0.807 119.280 120.300 -0.354 0.000 2.243 1109 Y HA -0.088 4.462 4.550 0.001 0.000 0.293 1109 Y C 2.436 178.004 175.900 -0.554 0.000 1.124 1109 Y CA 2.074 59.849 58.100 -0.540 0.000 1.159 1109 Y CB -0.869 37.176 38.460 -0.692 0.000 1.008 1109 Y HN 0.155 nan 8.280 nan 0.000 0.527 1110 H N -2.377 116.599 119.070 -0.157 0.000 2.547 1110 H HA 0.062 4.619 4.556 0.002 0.000 0.272 1110 H C 1.099 176.375 175.328 -0.086 0.000 0.971 1110 H CA 0.456 56.365 56.048 -0.231 0.000 1.245 1110 H CB 0.388 29.976 29.762 -0.290 0.000 1.440 1110 H HN 0.124 nan 8.280 nan 0.000 0.540 1111 L N -1.012 120.127 121.223 -0.139 0.000 2.433 1111 L HA 0.024 4.365 4.340 0.002 0.000 0.200 1111 L C 2.138 178.755 176.870 -0.422 0.000 1.059 1111 L CA 1.240 55.923 54.840 -0.261 0.000 0.835 1111 L CB -0.823 41.084 42.059 -0.254 0.000 1.076 1111 L HN 0.288 nan 8.230 nan 0.000 0.481 1112 H N 0.253 118.951 119.070 -0.620 0.000 2.372 1112 H HA 0.175 4.732 4.556 0.002 0.000 0.301 1112 H C 1.977 177.147 175.328 -0.263 0.000 1.065 1112 H CA 1.187 56.973 56.048 -0.437 0.000 1.364 1112 H CB 0.239 29.789 29.762 -0.353 0.000 1.406 1112 H HN 0.192 nan 8.280 nan 0.000 0.521 1113 A N 0.703 123.376 122.820 -0.245 0.000 2.019 1113 A HA -0.085 4.236 4.320 0.002 0.000 0.219 1113 A C 2.468 180.054 177.584 0.003 0.000 1.164 1113 A CA 1.068 52.964 52.037 -0.235 0.000 0.644 1113 A CB -0.837 17.973 19.000 -0.317 0.000 0.805 1113 A HN 0.422 nan 8.150 nan 0.000 0.449 1114 L N -0.431 120.819 121.223 0.045 0.000 2.551 1114 L HA -0.100 4.241 4.340 0.002 0.000 0.228 1114 L C 1.164 178.086 176.870 0.086 0.000 1.153 1114 L CA 0.507 55.428 54.840 0.135 0.000 0.851 1114 L CB -0.407 41.776 42.059 0.207 0.000 0.959 1114 L HN 0.261 nan 8.230 nan 0.000 0.451 1115 D N -0.821 119.488 120.400 -0.152 0.000 2.277 1115 D HA -0.120 4.521 4.640 0.002 0.000 0.208 1115 D C 1.525 177.460 176.300 -0.610 0.000 0.962 1115 D CA 1.124 54.832 54.000 -0.488 0.000 0.865 1115 D CB 0.060 40.334 40.800 -0.877 0.000 0.939 1115 D HN 0.414 nan 8.370 nan 0.000 0.510 1116 W N -0.061 121.189 121.300 -0.083 0.000 2.865 1116 W HA 0.268 4.929 4.660 0.001 0.000 0.300 1116 W C 0.002 176.663 176.519 0.238 0.000 1.096 1116 W CA -0.171 57.084 57.345 -0.150 0.000 1.524 1116 W CB 0.748 29.955 29.460 -0.422 0.000 0.991 1116 W HN -0.366 nan 8.180 nan 0.000 0.571 1117 V N 2.056 122.197 119.914 0.378 0.000 2.448 1117 V HA 0.207 4.328 4.120 0.002 0.000 0.295 1117 V C -0.806 175.220 176.094 -0.114 0.000 1.025 1117 V CA -0.653 61.725 62.300 0.130 0.000 0.859 1117 V CB 1.701 33.554 31.823 0.050 0.000 0.988 1117 V HN -0.173 nan 8.190 nan 0.000 0.431 1118 D N 3.763 123.913 120.400 -0.416 0.000 2.412 1118 D HA 0.208 4.849 4.640 0.002 0.000 0.224 1118 D C 0.957 176.908 176.300 -0.582 0.000 1.093 1118 D CA -0.340 53.275 54.000 -0.643 0.000 0.850 1118 D CB 1.996 42.322 40.800 -0.790 0.000 1.046 1118 D HN 0.371 nan 8.370 nan 0.000 0.507 1119 V N 2.502 121.804 119.914 -1.020 0.000 2.626 1119 V HA -0.120 4.001 4.120 0.002 0.000 0.252 1119 V C 1.858 177.449 176.094 -0.838 0.000 1.067 1119 V CA 0.883 62.556 62.300 -1.045 0.000 1.081 1119 V CB -0.621 30.266 31.823 -1.560 0.000 0.686 1119 V HN 0.387 nan 8.190 nan 0.000 0.468 1120 V N 0.772 120.160 119.914 -0.878 0.000 2.379 1120 V HA -0.190 3.931 4.120 0.002 0.000 0.245 1120 V C 2.924 178.839 176.094 -0.299 0.000 1.044 1120 V CA 2.299 64.299 62.300 -0.499 0.000 1.036 1120 V CB -0.634 30.974 31.823 -0.358 0.000 0.664 1120 V HN 0.694 nan 8.190 nan 0.000 0.453 1121 S N 0.362 115.898 115.700 -0.273 0.000 2.419 1121 S HA -0.190 4.281 4.470 0.002 0.000 0.235 1121 S C 2.081 176.563 174.600 -0.196 0.000 1.019 1121 S CA 1.504 59.590 58.200 -0.190 0.000 0.982 1121 S CB -0.318 62.781 63.200 -0.168 0.000 0.789 1121 S HN 0.611 nan 8.310 nan 0.000 0.490 1122 A N 1.307 123.977 122.820 -0.250 0.000 2.019 1122 A HA 0.079 4.400 4.320 0.002 0.000 0.219 1122 A C 2.059 179.543 177.584 -0.166 0.000 1.164 1122 A CA 1.216 53.125 52.037 -0.212 0.000 0.644 1122 A CB -0.675 18.180 19.000 -0.241 0.000 0.805 1122 A HN 0.618 nan 8.150 nan 0.000 0.449 1123 L N -0.550 120.572 121.223 -0.168 0.000 2.362 1123 L HA -0.082 4.259 4.340 0.002 0.000 0.219 1123 L C 2.259 179.075 176.870 -0.090 0.000 1.134 1123 L CA 0.990 55.759 54.840 -0.117 0.000 0.807 1123 L CB -0.257 41.735 42.059 -0.112 0.000 0.927 1123 L HN 0.277 nan 8.230 nan 0.000 0.447 1124 S N -0.326 115.316 115.700 -0.097 0.000 2.501 1124 S HA 0.191 4.662 4.470 0.002 0.000 0.220 1124 S C 1.161 175.718 174.600 -0.072 0.000 0.997 1124 S CA 0.120 58.275 58.200 -0.074 0.000 0.919 1124 S CB -0.012 63.145 63.200 -0.071 0.000 0.778 1124 S HN 0.388 nan 8.310 nan 0.000 0.523 1125 A N 2.279 125.044 122.820 -0.092 0.000 2.520 1125 A HA 0.088 4.409 4.320 0.002 0.000 0.235 1125 A C 0.249 177.792 177.584 -0.068 0.000 1.065 1125 A CA -0.073 51.907 52.037 -0.095 0.000 0.764 1125 A CB 0.054 18.974 19.000 -0.133 0.000 1.002 1125 A HN 0.332 nan 8.150 nan 0.000 0.502 1126 D N 2.562 122.925 120.400 -0.062 0.000 2.317 1126 D HA 0.204 4.845 4.640 0.002 0.000 0.252 1126 D C -1.727 174.548 176.300 -0.040 0.000 1.174 1126 D CA -1.514 52.462 54.000 -0.039 0.000 0.866 1126 D CB 1.130 41.912 40.800 -0.030 0.000 1.127 1126 D HN 0.127 nan 8.370 nan 0.000 0.467 1127 P HA -0.162 nan 4.420 nan 0.000 0.215 1127 P C 1.232 178.576 177.300 0.073 0.000 1.153 1127 P CA 1.006 64.141 63.100 0.057 0.000 0.853 1127 P CB 0.236 31.994 31.700 0.097 0.000 0.788 1128 R N 0.663 121.195 120.500 0.053 0.000 2.075 1128 R HA -0.003 4.338 4.340 0.002 0.000 0.232 1128 R C 1.955 178.270 176.300 0.024 0.000 1.126 1128 R CA 2.118 58.254 56.100 0.060 0.000 0.963 1128 R CB -1.685 28.642 30.300 0.045 0.000 0.858 1128 R HN 0.043 nan 8.270 nan 0.000 0.435 1129 A N -0.416 122.396 122.820 -0.014 0.000 1.969 1129 A HA -0.078 4.243 4.320 0.002 0.000 0.218 1129 A C 2.139 179.665 177.584 -0.096 0.000 1.169 1129 A CA 1.862 53.877 52.037 -0.038 0.000 0.635 1129 A CB -0.957 18.019 19.000 -0.040 0.000 0.810 1129 A HN 0.497 nan 8.150 nan 0.000 0.445 1130 T N -0.305 114.140 114.554 -0.181 0.000 2.684 1130 T HA -0.182 4.169 4.350 0.002 0.000 0.267 1130 T C 2.262 176.714 174.700 -0.413 0.000 1.036 1130 T CA 1.829 63.677 62.100 -0.419 0.000 1.148 1130 T CB -0.465 67.975 68.868 -0.714 0.000 0.863 1130 T HN 0.564 nan 8.240 nan 0.000 0.436 1131 S N 0.906 116.546 115.700 -0.101 0.000 2.359 1131 S HA -0.197 4.274 4.470 0.002 0.000 0.224 1131 S C 2.058 176.736 174.600 0.131 0.000 1.035 1131 S CA 1.602 59.946 58.200 0.241 0.000 1.018 1131 S CB -0.373 63.015 63.200 0.313 0.000 0.876 1131 S HN 0.583 nan 8.310 nan 0.000 0.448 1132 E N 0.619 120.852 120.200 0.056 0.000 2.077 1132 E HA -0.108 4.243 4.350 0.002 0.000 0.193 1132 E C 2.171 178.792 176.600 0.034 0.000 0.989 1132 E CA 1.139 57.566 56.400 0.045 0.000 0.800 1132 E CB -0.325 29.392 29.700 0.027 0.000 0.746 1132 E HN 0.467 nan 8.360 nan 0.000 0.452 1133 L N 0.801 122.021 121.223 -0.005 0.000 1.994 1133 L HA -0.201 4.140 4.340 0.002 0.000 0.208 1133 L C 2.481 179.377 176.870 0.044 0.000 1.071 1133 L CA 1.593 56.435 54.840 0.004 0.000 0.745 1133 L CB -0.514 41.519 42.059 -0.044 0.000 0.892 1133 L HN 0.116 nan 8.230 nan 0.000 0.431 1134 A N -0.498 122.351 122.820 0.049 0.000 1.892 1134 A HA -0.315 4.006 4.320 0.002 0.000 0.218 1134 A C 2.042 179.744 177.584 0.198 0.000 1.188 1134 A CA 2.087 54.234 52.037 0.184 0.000 0.631 1134 A CB -0.663 18.558 19.000 0.369 0.000 0.822 1134 A HN 0.662 nan 8.150 nan 0.000 0.447 1135 Q N -0.164 119.738 119.800 0.169 0.000 2.224 1135 Q HA -0.115 4.226 4.340 0.002 0.000 0.203 1135 Q C 2.280 178.335 176.000 0.092 0.000 0.970 1135 Q CA 1.624 57.507 55.803 0.134 0.000 0.865 1135 Q CB -0.186 28.620 28.738 0.113 0.000 0.922 1135 Q HN 0.874 nan 8.270 nan 0.000 0.445 1136 S N 0.159 115.904 115.700 0.075 0.000 2.527 1136 S HA -0.021 4.450 4.470 0.002 0.000 0.222 1136 S C 1.733 176.360 174.600 0.046 0.000 0.985 1136 S CA 0.393 58.623 58.200 0.050 0.000 0.921 1136 S CB -0.305 62.918 63.200 0.038 0.000 0.772 1136 S HN 0.550 nan 8.310 nan 0.000 0.529 1137 I N -1.714 118.893 120.570 0.063 0.000 3.956 1137 I HA 0.470 4.641 4.170 0.002 0.000 0.333 1137 I C 0.257 176.399 176.117 0.042 0.000 1.302 1137 I CA -0.391 60.937 61.300 0.046 0.000 1.122 1137 I CB 0.536 38.566 38.000 0.051 0.000 1.013 1137 I HN 0.265 nan 8.210 nan 0.000 0.405 1138 S N 0.111 115.853 115.700 0.069 0.000 2.565 1138 S HA 0.653 5.124 4.470 0.002 0.000 0.274 1138 S C 0.097 174.758 174.600 0.101 0.000 1.144 1138 S CA -0.019 58.223 58.200 0.071 0.000 0.849 1138 S CB 1.557 64.806 63.200 0.081 0.000 1.103 1138 S HN 0.239 nan 8.310 nan 0.000 0.455 1139 A N 2.672 125.546 122.820 0.090 0.000 2.251 1139 A HA 0.236 4.557 4.320 0.002 0.000 0.209 1139 A C 0.769 178.437 177.584 0.140 0.000 1.187 1139 A CA -0.434 51.655 52.037 0.087 0.000 0.823 1139 A CB -0.428 18.602 19.000 0.050 0.000 0.846 1139 A HN 0.840 nan 8.150 nan 0.000 0.486 1140 W N 1.429 122.693 121.300 -0.060 0.000 2.391 1140 W HA -0.004 4.657 4.660 0.002 0.000 0.339 1140 W C -2.182 174.297 176.519 -0.067 0.000 1.252 1140 W CA -0.920 56.370 57.345 -0.093 0.000 1.304 1140 W CB 0.637 30.008 29.460 -0.148 0.000 1.179 1140 W HN 0.158 nan 8.180 nan 0.000 0.567 1141 P HA -0.097 nan 4.420 nan 0.000 0.217 1141 P C -0.308 176.647 177.300 -0.575 0.000 1.151 1141 P CA 1.704 64.509 63.100 -0.492 0.000 0.828 1141 P CB 0.117 31.501 31.700 -0.526 0.000 0.788 1142 K N 0.609 120.405 120.400 -1.006 0.000 2.127 1142 K HA 0.214 4.535 4.320 0.002 0.000 0.261 1142 K C 0.360 176.630 176.600 -0.550 0.000 1.129 1142 K CA 0.260 56.038 56.287 -0.847 0.000 0.993 1142 K CB -0.378 31.534 32.500 -0.979 0.000 1.410 1142 K HN 0.105 nan 8.250 nan 0.000 0.380 1143 S N -1.024 114.480 115.700 -0.326 0.000 2.998 1143 S HA -0.020 4.451 4.470 0.002 0.000 0.256 1143 S C 0.396 175.078 174.600 0.136 0.000 0.970 1143 S CA -0.693 57.538 58.200 0.052 0.000 1.238 1143 S CB 0.051 63.409 63.200 0.264 0.000 1.170 1143 S HN 0.366 nan 8.310 nan 0.000 0.663 1144 S N 1.902 117.593 115.700 -0.015 0.000 2.579 1144 S HA 0.404 4.875 4.470 0.002 0.000 0.275 1144 S C -1.616 173.117 174.600 0.222 0.000 1.345 1144 S CA -0.571 57.685 58.200 0.094 0.000 1.031 1144 S CB 0.590 63.807 63.200 0.029 0.000 0.892 1144 S HN 0.034 nan 8.310 nan 0.000 0.529 1145 P HA -0.031 nan 4.420 nan 0.000 0.216 1145 P C 1.719 179.126 177.300 0.178 0.000 1.153 1145 P CA 1.789 65.032 63.100 0.238 0.000 0.858 1145 P CB -0.473 31.312 31.700 0.142 0.000 0.789 1146 G N -1.513 107.357 108.800 0.116 0.000 2.432 1146 G HA2 -0.300 3.661 3.960 0.002 0.000 0.219 1146 G HA3 -0.300 3.661 3.960 0.002 0.000 0.219 1146 G C 1.570 176.520 174.900 0.083 0.000 1.135 1146 G CA 0.599 45.749 45.100 0.082 0.000 0.767 1146 G HN 0.251 nan 8.290 nan 0.000 0.550 1147 Y N 0.763 121.018 120.300 -0.075 0.000 2.163 1147 Y HA -0.011 4.540 4.550 0.001 0.000 0.288 1147 Y C 2.350 178.142 175.900 -0.181 0.000 1.136 1147 Y CA 1.402 59.397 58.100 -0.175 0.000 1.147 1147 Y CB -0.386 37.882 38.460 -0.319 0.000 0.987 1147 Y HN 0.183 nan 8.280 nan 0.000 0.509 1148 F N 0.113 120.052 119.950 -0.019 0.000 2.171 1148 F HA -0.157 4.371 4.527 0.001 0.000 0.300 1148 F C 2.634 178.358 175.800 -0.127 0.000 1.090 1148 F CA 1.011 58.923 58.000 -0.146 0.000 1.293 1148 F CB -0.792 38.198 39.000 -0.017 0.000 1.013 1148 F HN 0.180 nan 8.300 nan 0.000 0.486 1149 A N -0.051 122.829 122.820 0.100 0.000 1.902 1149 A HA -0.294 4.027 4.320 0.002 0.000 0.217 1149 A C 1.763 179.342 177.584 -0.008 0.000 1.181 1149 A CA 2.274 54.337 52.037 0.043 0.000 0.623 1149 A CB -1.054 17.974 19.000 0.046 0.000 0.818 1149 A HN 0.450 nan 8.150 nan 0.000 0.443 1150 D N -1.709 118.668 120.400 -0.038 0.000 2.149 1150 D HA -0.086 4.555 4.640 0.002 0.000 0.201 1150 D C 1.849 178.096 176.300 -0.088 0.000 0.972 1150 D CA 1.713 55.684 54.000 -0.049 0.000 0.835 1150 D CB -0.009 40.771 40.800 -0.033 0.000 0.966 1150 D HN 0.330 nan 8.370 nan 0.000 0.476 1151 T N -0.304 114.143 114.554 -0.179 0.000 2.737 1151 T HA -0.194 4.157 4.350 0.002 0.000 0.265 1151 T C 1.784 176.430 174.700 -0.089 0.000 1.038 1151 T CA 1.315 63.305 62.100 -0.184 0.000 1.144 1151 T CB -0.361 68.324 68.868 -0.305 0.000 0.866 1151 T HN 0.288 nan 8.240 nan 0.000 0.434 1152 Q N 0.935 120.700 119.800 -0.058 0.000 2.084 1152 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 1152 Q C 2.367 178.349 176.000 -0.031 0.000 0.978 1152 Q CA 1.413 57.190 55.803 -0.042 0.000 0.844 1152 Q CB -0.110 28.613 28.738 -0.026 0.000 0.898 1152 Q HN 0.358 nan 8.270 nan 0.000 0.426 1153 K N 0.178 120.564 120.400 -0.022 0.000 2.103 1153 K HA -0.184 4.137 4.320 0.002 0.000 0.207 1153 K C 2.173 178.775 176.600 0.004 0.000 1.048 1153 K CA 1.325 57.608 56.287 -0.008 0.000 0.930 1153 K CB 0.011 32.508 32.500 -0.005 0.000 0.716 1153 K HN 0.217 nan 8.250 nan 0.000 0.444 1154 R N 0.167 120.663 120.500 -0.007 0.000 2.081 1154 R HA -0.105 4.236 4.340 0.002 0.000 0.235 1154 R C 2.243 178.564 176.300 0.035 0.000 1.131 1154 R CA 1.216 57.321 56.100 0.007 0.000 0.960 1154 R CB -0.218 30.068 30.300 -0.024 0.000 0.856 1154 R HN 0.192 nan 8.270 nan 0.000 0.436 1155 I N 1.147 121.723 120.570 0.009 0.000 2.315 1155 I HA -0.214 3.957 4.170 0.002 0.000 0.248 1155 I C 2.288 178.470 176.117 0.107 0.000 1.117 1155 I CA 1.319 62.647 61.300 0.048 0.000 1.404 1155 I CB -0.941 37.043 38.000 -0.028 0.000 1.071 1155 I HN 0.131 nan 8.210 nan 0.000 0.419 1156 K N 0.664 121.090 120.400 0.042 0.000 2.026 1156 K HA -0.168 4.153 4.320 0.002 0.000 0.208 1156 K C 2.095 178.731 176.600 0.060 0.000 1.048 1156 K CA 2.051 58.357 56.287 0.032 0.000 0.929 1156 K CB -0.050 32.451 32.500 0.002 0.000 0.713 1156 K HN 0.204 nan 8.250 nan 0.000 0.439 1157 T N 0.765 115.360 114.554 0.069 0.000 2.720 1157 T HA -0.178 4.173 4.350 0.002 0.000 0.268 1157 T C 1.401 176.163 174.700 0.105 0.000 1.037 1157 T CA 1.554 63.694 62.100 0.068 0.000 1.144 1157 T CB -0.401 68.507 68.868 0.066 0.000 0.864 1157 T HN 0.290 nan 8.240 nan 0.000 0.444 1158 F N 1.526 121.471 119.950 -0.009 0.000 2.046 1158 F HA -0.180 4.348 4.527 0.001 0.000 0.297 1158 F C 2.343 178.149 175.800 0.010 0.000 1.123 1158 F CA 1.168 59.165 58.000 -0.004 0.000 1.199 1158 F CB -0.434 38.565 39.000 -0.002 0.000 0.972 1158 F HN -0.111 nan 8.300 nan 0.000 0.474 1159 V N 0.343 120.341 119.914 0.140 0.000 2.407 1159 V HA -0.292 3.829 4.120 0.002 0.000 0.248 1159 V C 1.882 177.945 176.094 -0.051 0.000 1.055 1159 V CA 2.285 64.601 62.300 0.026 0.000 1.049 1159 V CB -0.629 31.230 31.823 0.060 0.000 0.662 1159 V HN 0.376 nan 8.190 nan 0.000 0.455 1160 E N 0.172 120.355 120.200 -0.029 0.000 2.511 1160 E HA -0.074 4.277 4.350 0.002 0.000 0.196 1160 E C 2.099 178.663 176.600 -0.060 0.000 1.066 1160 E CA 0.852 57.230 56.400 -0.036 0.000 0.871 1160 E CB -0.043 29.648 29.700 -0.016 0.000 0.863 1160 E HN 0.750 nan 8.360 nan 0.000 0.520 1161 S N -0.799 114.837 115.700 -0.107 0.000 2.489 1161 S HA 0.071 4.542 4.470 0.002 0.000 0.228 1161 S C 1.767 176.295 174.600 -0.120 0.000 0.995 1161 S CA 0.562 58.694 58.200 -0.113 0.000 0.934 1161 S CB 0.249 63.356 63.200 -0.156 0.000 0.771 1161 S HN 0.353 nan 8.310 nan 0.000 0.522 1162 G N 0.448 109.167 108.800 -0.134 0.000 2.241 1162 G HA2 -0.233 3.728 3.960 0.002 0.000 0.244 1162 G HA3 -0.233 3.728 3.960 0.002 0.000 0.244 1162 G C -0.025 174.794 174.900 -0.135 0.000 0.998 1162 G CA 0.133 45.172 45.100 -0.101 0.000 0.621 1162 G HN 0.590 nan 8.290 nan 0.000 0.519 1163 Q N 0.082 119.742 119.800 -0.233 0.000 2.506 1163 Q HA 0.602 4.943 4.340 0.002 0.000 0.242 1163 Q C 0.812 176.529 176.000 -0.472 0.000 1.060 1163 Q CA -0.658 54.991 55.803 -0.256 0.000 0.826 1163 Q CB 1.081 29.688 28.738 -0.219 0.000 1.169 1163 Q HN 0.220 nan 8.270 nan 0.000 0.521 1164 L N 1.330 122.393 121.223 -0.265 0.000 2.492 1164 L HA 0.084 4.425 4.340 0.002 0.000 0.223 1164 L C 1.349 178.238 176.870 0.032 0.000 1.132 1164 L CA 1.338 56.077 54.840 -0.168 0.000 0.850 1164 L CB -0.534 41.581 42.059 0.094 0.000 0.966 1164 L HN 0.886 nan 8.230 nan 0.000 0.454 1165 G N 1.171 109.976 108.800 0.010 0.000 2.591 1165 G HA2 -0.428 3.533 3.960 0.002 0.000 0.298 1165 G HA3 -0.428 3.533 3.960 0.002 0.000 0.298 1165 G C 1.068 176.023 174.900 0.092 0.000 1.195 1165 G CA 0.613 45.768 45.100 0.092 0.000 0.989 1165 G HN 0.467 nan 8.290 nan 0.000 0.551 1166 I N -2.121 118.459 120.570 0.017 0.000 3.111 1166 I HA 0.308 4.478 4.170 0.002 0.000 0.272 1166 I C 2.086 178.350 176.117 0.246 0.000 1.268 1166 I CA 1.212 62.540 61.300 0.047 0.000 1.467 1166 I CB -0.284 37.704 38.000 -0.019 0.000 1.087 1166 I HN 0.177 nan 8.210 nan 0.000 0.467 1167 F N 2.472 122.596 119.950 0.290 0.000 2.780 1167 F HA 0.422 4.950 4.527 0.002 0.000 0.299 1167 F C 1.824 177.853 175.800 0.380 0.000 1.146 1167 F CA -0.922 57.337 58.000 0.431 0.000 1.428 1167 F CB -1.087 38.155 39.000 0.404 0.000 1.115 1167 F HN 0.027 nan 8.300 nan 0.000 0.583 1168 A N 0.447 123.488 122.820 0.368 0.000 2.477 1168 A HA 0.210 4.531 4.320 0.002 0.000 0.246 1168 A C 0.915 178.594 177.584 0.158 0.000 1.078 1168 A CA 0.198 52.376 52.037 0.235 0.000 0.770 1168 A CB -0.682 18.397 19.000 0.132 0.000 1.011 1168 A HN 0.653 nan 8.150 nan 0.000 0.494 1169 N N -0.113 118.669 118.700 0.136 0.000 2.741 1169 N HA -0.185 4.556 4.740 0.002 0.000 0.250 1169 N C 0.593 176.060 175.510 -0.071 0.000 1.115 1169 N CA 0.339 53.431 53.050 0.069 0.000 0.724 1169 N CB -1.325 37.204 38.487 0.070 0.000 1.090 1169 N HN 1.058 nan 8.380 nan 0.000 0.558 1170 G N -0.714 107.955 108.800 -0.217 0.000 2.616 1170 G HA2 0.288 4.249 3.960 0.002 0.000 0.268 1170 G HA3 0.288 4.249 3.960 0.002 0.000 0.268 1170 G C -0.038 174.325 174.900 -0.895 0.000 1.213 1170 G CA -0.331 44.208 45.100 -0.935 0.000 0.926 1170 G HN 0.295 nan 8.290 nan 0.000 0.523 1171 Y N -1.047 118.705 120.300 -0.914 0.000 2.596 1171 Y HA 0.229 4.779 4.550 0.001 0.000 0.316 1171 Y C 0.444 176.319 175.900 -0.041 0.000 1.156 1171 Y CA -2.177 55.721 58.100 -0.336 0.000 1.300 1171 Y CB -1.093 37.242 38.460 -0.208 0.000 1.130 1171 Y HN 0.394 nan 8.280 nan 0.000 0.518 1172 W N 0.370 121.826 121.300 0.261 0.000 2.314 1172 W HA 0.340 5.001 4.660 0.001 0.000 0.339 1172 W C 1.405 178.026 176.519 0.170 0.000 1.293 1172 W CA 0.697 58.096 57.345 0.090 0.000 1.288 1172 W CB 0.395 29.820 29.460 -0.057 0.000 1.186 1172 W HN 0.457 nan 8.180 nan 0.000 0.566 1173 G N 0.095 109.125 108.800 0.384 0.000 2.179 1173 G HA2 -0.350 3.611 3.960 0.002 0.000 0.260 1173 G HA3 -0.350 3.611 3.960 0.002 0.000 0.260 1173 G C 0.390 175.495 174.900 0.342 0.000 0.977 1173 G CA 0.023 45.300 45.100 0.294 0.000 0.641 1173 G HN 0.775 nan 8.290 nan 0.000 0.533 1174 H N 2.395 121.688 119.070 0.371 0.000 2.972 1174 H HA 0.161 4.718 4.556 0.002 0.000 0.343 1174 H C -0.728 174.711 175.328 0.184 0.000 1.054 1174 H CA -0.089 56.079 56.048 0.199 0.000 1.412 1174 H CB 1.396 31.205 29.762 0.079 0.000 1.385 1174 H HN 0.152 nan 8.280 nan 0.000 0.600 1175 P HA -0.061 nan 4.420 nan 0.000 0.226 1175 P C 0.809 178.289 177.300 0.299 0.000 1.153 1175 P CA 1.171 64.362 63.100 0.151 0.000 0.777 1175 P CB 0.014 31.718 31.700 0.007 0.000 0.794 1176 A N -1.525 121.591 122.820 0.494 0.000 2.167 1176 A HA -0.055 4.266 4.320 0.002 0.000 0.214 1176 A C 0.739 178.473 177.584 0.250 0.000 1.151 1176 A CA -0.009 52.205 52.037 0.295 0.000 0.735 1176 A CB -1.262 17.790 19.000 0.086 0.000 0.802 1176 A HN 0.156 nan 8.150 nan 0.000 0.467 1177 Y N 0.234 120.717 120.300 0.304 0.000 2.531 1177 Y HA 0.188 4.739 4.550 0.001 0.000 0.347 1177 Y C 1.480 177.512 175.900 0.221 0.000 1.024 1177 Y CA -0.239 58.031 58.100 0.283 0.000 1.306 1177 Y CB 0.571 39.157 38.460 0.209 0.000 1.149 1177 Y HN 0.162 nan 8.280 nan 0.000 0.527 1178 R N 2.524 123.240 120.500 0.361 0.000 2.365 1178 R HA 0.205 4.546 4.340 0.002 0.000 0.223 1178 R C -0.248 175.961 176.300 -0.153 0.000 0.899 1178 R CA -0.177 55.938 56.100 0.026 0.000 1.059 1178 R CB 0.440 30.604 30.300 -0.227 0.000 1.086 1178 R HN 0.568 nan 8.270 nan 0.000 0.522 1179 L N 3.906 125.040 121.223 -0.148 0.000 2.456 1179 L HA 0.165 4.506 4.340 0.002 0.000 0.272 1179 L C -1.796 174.869 176.870 -0.341 0.000 1.189 1179 L CA -1.749 52.812 54.840 -0.465 0.000 0.846 1179 L CB 0.144 42.033 42.059 -0.284 0.000 1.111 1179 L HN -0.150 nan 8.230 nan 0.000 0.475 1180 P HA 0.099 nan 4.420 nan 0.000 0.269 1180 P C -2.301 174.879 177.300 -0.201 0.000 1.215 1180 P CA -1.367 61.594 63.100 -0.231 0.000 0.780 1180 P CB 0.223 31.811 31.700 -0.186 0.000 0.898 1181 P HA -0.228 nan 4.420 nan 0.000 0.217 1181 P C 1.359 178.556 177.300 -0.172 0.000 1.158 1181 P CA 1.771 64.782 63.100 -0.147 0.000 0.887 1181 P CB -0.024 31.608 31.700 -0.113 0.000 0.792 1182 E N -0.702 119.397 120.200 -0.169 0.000 2.085 1182 E HA -0.149 4.202 4.350 0.002 0.000 0.194 1182 E C 2.140 178.601 176.600 -0.232 0.000 0.994 1182 E CA 1.667 57.945 56.400 -0.202 0.000 0.801 1182 E CB -1.158 28.444 29.700 -0.163 0.000 0.743 1182 E HN 0.186 nan 8.360 nan 0.000 0.453 1183 A N 0.953 123.644 122.820 -0.216 0.000 1.968 1183 A HA -0.154 4.167 4.320 0.002 0.000 0.217 1183 A C 1.826 179.307 177.584 -0.171 0.000 1.169 1183 A CA 1.281 53.198 52.037 -0.200 0.000 0.638 1183 A CB -0.375 18.457 19.000 -0.280 0.000 0.812 1183 A HN 0.140 nan 8.150 nan 0.000 0.446 1184 N N -0.083 118.506 118.700 -0.184 0.000 2.120 1184 N HA -0.137 4.604 4.740 0.002 0.000 0.188 1184 N C 1.626 177.037 175.510 -0.164 0.000 1.024 1184 N CA 1.511 54.464 53.050 -0.162 0.000 0.852 1184 N CB -0.472 37.895 38.487 -0.200 0.000 1.003 1184 N HN 0.412 nan 8.380 nan 0.000 0.424 1185 L N 1.375 122.485 121.223 -0.189 0.000 2.093 1185 L HA 0.018 4.359 4.340 0.002 0.000 0.208 1185 L C 2.314 179.095 176.870 -0.148 0.000 1.085 1185 L CA 1.263 56.002 54.840 -0.168 0.000 0.755 1185 L CB -0.674 41.275 42.059 -0.183 0.000 0.904 1185 L HN 0.131 nan 8.230 nan 0.000 0.435 1186 M N -1.040 118.400 119.600 -0.268 0.000 2.080 1186 M HA -0.222 4.259 4.480 0.002 0.000 0.260 1186 M C 2.106 178.262 176.300 -0.241 0.000 1.068 1186 M CA 2.183 57.309 55.300 -0.291 0.000 1.109 1186 M CB -0.172 32.235 32.600 -0.322 0.000 1.342 1186 M HN 0.341 nan 8.290 nan 0.000 0.405 1187 A N -0.587 122.182 122.820 -0.084 0.000 1.930 1187 A HA -0.081 4.240 4.320 0.002 0.000 0.217 1187 A C 2.020 179.704 177.584 0.167 0.000 1.175 1187 A CA 1.632 53.730 52.037 0.103 0.000 0.627 1187 A CB -0.981 18.086 19.000 0.111 0.000 0.815 1187 A HN 0.432 nan 8.150 nan 0.000 0.443 1188 V N -0.084 119.859 119.914 0.049 0.000 2.295 1188 V HA -0.245 3.876 4.120 0.002 0.000 0.246 1188 V C 3.069 179.246 176.094 0.137 0.000 1.049 1188 V CA 1.850 64.171 62.300 0.035 0.000 1.024 1188 V CB -1.254 30.508 31.823 -0.101 0.000 0.648 1188 V HN 0.611 nan 8.190 nan 0.000 0.447 1189 A N -0.584 122.324 122.820 0.145 0.000 1.892 1189 A HA -0.293 4.028 4.320 0.002 0.000 0.218 1189 A C 2.070 179.906 177.584 0.419 0.000 1.188 1189 A CA 2.328 54.511 52.037 0.244 0.000 0.631 1189 A CB -0.800 18.413 19.000 0.355 0.000 0.822 1189 A HN 0.668 nan 8.150 nan 0.000 0.447 1190 H N -2.678 116.542 119.070 0.251 0.000 2.462 1190 H HA -0.051 4.506 4.556 0.001 0.000 0.292 1190 H C 1.744 176.999 175.328 -0.123 0.000 1.049 1190 H CA 0.958 57.035 56.048 0.048 0.000 1.334 1190 H CB -0.723 29.017 29.762 -0.036 0.000 1.404 1190 H HN 0.761 nan 8.280 nan 0.000 0.544 1191 Y N 1.140 121.483 120.300 0.073 0.000 2.128 1191 Y HA -0.226 4.325 4.550 0.002 0.000 0.284 1191 Y C 2.118 178.159 175.900 0.235 0.000 1.154 1191 Y CA 1.274 59.455 58.100 0.134 0.000 1.149 1191 Y CB -0.336 38.272 38.460 0.247 0.000 0.976 1191 Y HN 0.057 nan 8.280 nan 0.000 0.505 1192 L N -0.010 121.519 121.223 0.510 0.000 2.056 1192 L HA -0.180 4.161 4.340 0.002 0.000 0.207 1192 L C 2.487 179.529 176.870 0.287 0.000 1.078 1192 L CA 1.152 56.213 54.840 0.369 0.000 0.749 1192 L CB -0.516 41.704 42.059 0.268 0.000 0.901 1192 L HN 0.229 nan 8.230 nan 0.000 0.433 1193 E N 0.339 120.729 120.200 0.316 0.000 2.072 1193 E HA -0.180 4.171 4.350 0.002 0.000 0.191 1193 E C 2.325 179.067 176.600 0.237 0.000 0.985 1193 E CA 1.346 57.956 56.400 0.349 0.000 0.801 1193 E CB -0.245 29.742 29.700 0.478 0.000 0.750 1193 E HN 0.450 nan 8.360 nan 0.000 0.452 1194 A N 1.194 124.092 122.820 0.130 0.000 1.972 1194 A HA -0.138 4.183 4.320 0.002 0.000 0.219 1194 A C 2.366 180.045 177.584 0.158 0.000 1.169 1194 A CA 0.973 52.999 52.037 -0.019 0.000 0.635 1194 A CB -0.644 18.229 19.000 -0.212 0.000 0.810 1194 A HN 0.172 nan 8.150 nan 0.000 0.446 1195 L N -1.059 120.262 121.223 0.163 0.000 2.046 1195 L HA -0.188 4.153 4.340 0.002 0.000 0.208 1195 L C 3.086 179.970 176.870 0.023 0.000 1.077 1195 L CA 1.117 55.960 54.840 0.005 0.000 0.747 1195 L CB -0.494 41.522 42.059 -0.073 0.000 0.896 1195 L HN 0.445 nan 8.230 nan 0.000 0.432 1196 A N -0.813 122.054 122.820 0.078 0.000 1.897 1196 A HA -0.250 4.071 4.320 0.002 0.000 0.215 1196 A C 1.989 179.596 177.584 0.039 0.000 1.181 1196 A CA 1.184 53.260 52.037 0.066 0.000 0.620 1196 A CB -0.960 18.114 19.000 0.124 0.000 0.821 1196 A HN 0.614 nan 8.150 nan 0.000 0.443 1197 W N 1.751 122.942 121.300 -0.182 0.000 2.355 1197 W HA -0.294 4.367 4.660 0.002 0.000 0.309 1197 W C 2.312 178.683 176.519 -0.247 0.000 1.206 1197 W CA 2.418 59.574 57.345 -0.314 0.000 1.284 1197 W CB -0.230 28.691 29.460 -0.900 0.000 1.145 1197 W HN 0.532 nan 8.180 nan 0.000 0.502 1198 Q N 1.202 120.818 119.800 -0.307 0.000 2.167 1198 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 1198 Q C 2.019 177.849 176.000 -0.283 0.000 0.970 1198 Q CA 2.382 57.861 55.803 -0.539 0.000 0.855 1198 Q CB -1.110 27.448 28.738 -0.299 0.000 0.911 1198 Q HN 0.588 nan 8.270 nan 0.000 0.438 1199 R N -0.110 120.285 120.500 -0.176 0.000 2.153 1199 R HA -0.002 4.339 4.340 0.002 0.000 0.218 1199 R C 0.856 177.063 176.300 -0.155 0.000 1.072 1199 R CA 1.248 57.282 56.100 -0.109 0.000 0.990 1199 R CB -0.221 30.043 30.300 -0.061 0.000 0.889 1199 R HN 0.127 nan 8.270 nan 0.000 0.452 1200 D N 1.107 121.376 120.400 -0.219 0.000 2.123 1200 D HA -0.137 4.504 4.640 0.002 0.000 0.200 1200 D C 1.997 178.134 176.300 -0.272 0.000 0.976 1200 D CA 2.136 56.012 54.000 -0.207 0.000 0.831 1200 D CB -0.298 40.395 40.800 -0.180 0.000 0.974 1200 D HN 0.408 nan 8.370 nan 0.000 0.469 1201 T N -0.749 113.502 114.554 -0.505 0.000 2.962 1201 T HA 0.005 4.356 4.350 0.002 0.000 0.270 1201 T C 1.919 176.464 174.700 -0.257 0.000 1.088 1201 T CA 1.324 63.154 62.100 -0.451 0.000 1.127 1201 T CB -0.159 68.243 68.868 -0.776 0.000 0.883 1201 T HN 0.037 nan 8.240 nan 0.000 0.493 1202 A N 1.520 124.195 122.820 -0.241 0.000 2.070 1202 A HA -0.010 4.311 4.320 0.002 0.000 0.220 1202 A C 2.322 179.849 177.584 -0.095 0.000 1.159 1202 A CA 1.447 53.346 52.037 -0.229 0.000 0.656 1202 A CB -0.618 18.264 19.000 -0.197 0.000 0.800 1202 A HN 0.670 nan 8.150 nan 0.000 0.453 1203 K N -1.513 118.846 120.400 -0.068 0.000 2.281 1203 K HA -0.147 4.174 4.320 0.002 0.000 0.203 1203 K C 1.561 178.175 176.600 0.023 0.000 1.046 1203 K CA 1.423 57.692 56.287 -0.030 0.000 0.938 1203 K CB -0.333 32.139 32.500 -0.046 0.000 0.737 1203 K HN 0.603 nan 8.250 nan 0.000 0.458 1204 F N 1.196 121.097 119.950 -0.082 0.000 2.102 1204 F HA -0.220 4.308 4.527 0.001 0.000 0.298 1204 F C 2.082 177.985 175.800 0.172 0.000 1.105 1204 F CA 1.639 59.648 58.000 0.017 0.000 1.239 1204 F CB -0.103 38.909 39.000 0.020 0.000 0.991 1204 F HN 0.137 nan 8.300 nan 0.000 0.474 1205 H N -0.918 118.345 119.070 0.322 0.000 2.421 1205 H HA -0.087 4.470 4.556 0.002 0.000 0.298 1205 H C 2.306 177.664 175.328 0.050 0.000 1.087 1205 H CA 0.477 56.650 56.048 0.208 0.000 1.330 1205 H CB -0.143 29.701 29.762 0.137 0.000 1.388 1205 H HN 0.405 nan 8.280 nan 0.000 0.526 1206 A N 1.016 123.906 122.820 0.117 0.000 1.930 1206 A HA -0.127 4.194 4.320 0.002 0.000 0.217 1206 A C 2.343 179.884 177.584 -0.072 0.000 1.175 1206 A CA 1.055 53.098 52.037 0.011 0.000 0.627 1206 A CB -0.560 18.431 19.000 -0.016 0.000 0.815 1206 A HN 0.296 nan 8.150 nan 0.000 0.443 1207 I N -1.897 118.572 120.570 -0.169 0.000 2.179 1207 I HA -0.252 3.919 4.170 0.002 0.000 0.242 1207 I C 2.135 178.036 176.117 -0.359 0.000 1.088 1207 I CA 1.500 62.590 61.300 -0.350 0.000 1.357 1207 I CB -0.264 37.369 38.000 -0.612 0.000 1.051 1207 I HN 0.326 nan 8.210 nan 0.000 0.409 1208 F N -0.288 119.566 119.950 -0.161 0.000 2.387 1208 F HA 0.132 4.660 4.527 0.001 0.000 0.294 1208 F C 2.223 177.913 175.800 -0.184 0.000 1.093 1208 F CA 0.942 58.845 58.000 -0.161 0.000 1.420 1208 F CB -0.479 38.432 39.000 -0.149 0.000 1.086 1208 F HN -0.039 nan 8.300 nan 0.000 0.531 1209 G N -1.887 106.911 108.800 -0.003 0.000 3.274 1209 G HA2 0.413 4.374 3.960 0.002 0.000 0.250 1209 G HA3 0.413 4.374 3.960 0.002 0.000 0.250 1209 G C 1.402 176.234 174.900 -0.113 0.000 1.024 1209 G CA 0.300 45.295 45.100 -0.176 0.000 0.840 1209 G HN 0.540 nan 8.290 nan 0.000 0.522 1210 G N 0.530 109.295 108.800 -0.059 0.000 2.320 1210 G HA2 -0.233 3.728 3.960 0.002 0.000 0.242 1210 G HA3 -0.233 3.728 3.960 0.002 0.000 0.242 1210 G C 0.333 175.228 174.900 -0.009 0.000 1.033 1210 G CA 0.776 45.853 45.100 -0.038 0.000 0.620 1210 G HN 1.237 nan 8.290 nan 0.000 0.517 1211 K N -1.040 119.370 120.400 0.015 0.000 2.597 1211 K HA 0.598 4.919 4.320 0.002 0.000 0.282 1211 K C -1.412 175.230 176.600 0.070 0.000 0.975 1211 K CA -0.734 55.575 56.287 0.037 0.000 0.867 1211 K CB 1.302 33.831 32.500 0.049 0.000 1.465 1211 K HN 0.362 nan 8.250 nan 0.000 0.417 1212 N N 1.002 119.735 118.700 0.055 0.000 2.336 1212 N HA 0.463 5.204 4.740 0.002 0.000 0.290 1212 N C -2.795 172.712 175.510 -0.005 0.000 1.058 1212 N CA -1.070 52.016 53.050 0.059 0.000 0.865 1212 N CB 1.828 40.352 38.487 0.061 0.000 1.581 1212 N HN 0.491 nan 8.380 nan 0.000 0.480 1213 P HA 0.264 nan 4.420 nan 0.000 0.274 1213 P C -1.128 176.197 177.300 0.042 0.000 1.246 1213 P CA 0.319 63.366 63.100 -0.088 0.000 0.795 1213 P CB 0.224 31.736 31.700 -0.314 0.000 1.006 1214 H N -2.441 116.719 119.070 0.151 0.000 2.982 1214 H HA -0.094 4.464 4.556 0.003 0.000 0.336 1214 H C -2.111 173.320 175.328 0.173 0.000 1.302 1214 H CA -0.800 55.363 56.048 0.192 0.000 1.204 1214 H CB -1.485 28.375 29.762 0.164 0.000 1.502 1214 H HN 0.420 nan 8.280 nan 0.000 0.446 1215 P HA 0.009 nan 4.420 nan 0.000 0.274 1215 P C -0.028 177.191 177.300 -0.136 0.000 1.260 1215 P CA -0.072 63.013 63.100 -0.026 0.000 0.793 1215 P CB 0.887 32.445 31.700 -0.238 0.000 1.048 1216 N N -0.807 117.678 118.700 -0.359 0.000 2.492 1216 N HA 0.522 5.263 4.740 0.002 0.000 0.289 1216 N C -0.619 174.126 175.510 -1.276 0.000 1.133 1216 N CA -0.224 52.549 53.050 -0.462 0.000 0.961 1216 N CB 0.478 38.897 38.487 -0.114 0.000 1.186 1216 N HN 0.319 nan 8.380 nan 0.000 0.493 1217 F N -0.212 118.928 119.950 -1.350 0.000 2.664 1217 F HA 0.735 5.261 4.527 -0.000 0.000 0.329 1217 F C -0.337 174.878 175.800 -0.974 0.000 1.090 1217 F CA -0.955 56.410 58.000 -1.060 0.000 0.978 1217 F CB 1.286 39.662 39.000 -1.040 0.000 1.378 1217 F HN 0.060 nan 8.300 nan 0.000 0.495 1218 V N 1.152 120.890 119.914 -0.294 0.000 2.932 1218 V HA 0.516 4.637 4.120 0.002 0.000 0.307 1218 V C -1.419 174.798 176.094 0.205 0.000 1.147 1218 V CA -0.887 61.410 62.300 -0.006 0.000 0.951 1218 V CB 2.304 34.126 31.823 -0.002 0.000 1.031 1218 V HN 0.502 nan 8.190 nan 0.000 0.426 1219 V N 6.287 126.466 119.914 0.442 0.000 2.485 1219 V HA 0.509 4.630 4.120 0.002 0.000 0.287 1219 V C 1.446 177.802 176.094 0.437 0.000 1.022 1219 V CA 1.678 64.223 62.300 0.407 0.000 1.067 1219 V CB 0.223 32.307 31.823 0.436 0.000 0.967 1219 V HN 1.648 nan 8.190 nan 0.000 0.479 1220 G N 3.152 112.077 108.800 0.208 0.000 2.179 1220 G HA2 0.134 4.095 3.960 0.002 0.000 0.220 1220 G HA3 0.134 4.095 3.960 0.002 0.000 0.220 1220 G C 0.474 175.386 174.900 0.020 0.000 0.990 1220 G CA -0.175 44.944 45.100 0.032 0.000 0.646 1220 G HN 1.732 nan 8.290 nan 0.000 0.517 1221 G N -1.901 107.013 108.800 0.190 0.000 2.566 1221 G HA2 0.618 4.579 3.960 0.002 0.000 0.138 1221 G HA3 0.618 4.579 3.960 0.002 0.000 0.138 1221 G C -0.638 174.336 174.900 0.123 0.000 1.133 1221 G CA 0.857 46.058 45.100 0.168 0.000 1.037 1221 G HN 1.845 nan 8.290 nan 0.000 0.491 1222 V N -2.127 117.840 119.914 0.088 0.000 2.876 1222 V HA 0.777 4.898 4.120 0.002 0.000 0.312 1222 V C -2.140 173.911 176.094 -0.073 0.000 1.085 1222 V CA -1.540 60.745 62.300 -0.025 0.000 0.945 1222 V CB 2.059 33.849 31.823 -0.056 0.000 1.017 1222 V HN 0.495 nan 8.190 nan 0.000 0.428 1223 P HA 0.022 nan 4.420 nan 0.000 0.225 1223 P C 0.626 177.838 177.300 -0.147 0.000 1.156 1223 P CA 0.892 63.868 63.100 -0.205 0.000 0.787 1223 P CB -0.034 31.542 31.700 -0.206 0.000 0.802 1224 S N 1.356 117.005 115.700 -0.086 0.000 2.422 1224 S HA 0.369 4.840 4.470 0.002 0.000 0.283 1224 S C -2.235 172.352 174.600 -0.022 0.000 1.163 1224 S CA -1.409 56.765 58.200 -0.043 0.000 1.054 1224 S CB 0.013 63.228 63.200 0.026 0.000 0.967 1224 S HN 0.041 nan 8.310 nan 0.000 0.499 1225 P HA 0.423 nan 4.420 nan 0.000 0.274 1225 P C -0.706 176.592 177.300 -0.004 0.000 1.246 1225 P CA -0.673 62.414 63.100 -0.022 0.000 0.795 1225 P CB 0.636 32.312 31.700 -0.039 0.000 1.006 1226 I N 1.124 121.697 120.570 0.004 0.000 2.406 1226 I HA 0.364 4.535 4.170 0.002 0.000 0.290 1226 I C -0.171 175.945 176.117 -0.003 0.000 0.999 1226 I CA -0.014 61.290 61.300 0.006 0.000 1.124 1226 I CB 1.510 39.520 38.000 0.016 0.000 1.289 1226 I HN 0.234 nan 8.210 nan 0.000 0.441 1227 D N 6.249 126.644 120.400 -0.009 0.000 2.591 1227 D HA 0.142 4.783 4.640 0.002 0.000 0.222 1227 D C 0.064 176.357 176.300 -0.011 0.000 1.360 1227 D CA -0.432 53.562 54.000 -0.009 0.000 0.967 1227 D CB 1.717 42.510 40.800 -0.012 0.000 1.456 1227 D HN 0.169 nan 8.370 nan 0.000 0.588 1228 L N 2.104 123.323 121.223 -0.008 0.000 2.275 1228 L HA 0.067 4.408 4.340 0.002 0.000 0.215 1228 L C 1.110 177.975 176.870 -0.009 0.000 1.119 1228 L CA 1.325 56.160 54.840 -0.008 0.000 0.790 1228 L CB -0.357 41.699 42.059 -0.005 0.000 0.919 1228 L HN 0.481 nan 8.230 nan 0.000 0.443 1229 D N -1.430 118.964 120.400 -0.009 0.000 2.643 1229 D HA 0.117 4.758 4.640 0.002 0.000 0.244 1229 D C 0.307 176.600 176.300 -0.012 0.000 1.257 1229 D CA 0.147 54.141 54.000 -0.009 0.000 0.831 1229 D CB 0.896 41.691 40.800 -0.007 0.000 1.043 1229 D HN 0.089 nan 8.370 nan 0.000 0.488 1230 S N 0.956 116.647 115.700 -0.016 0.000 2.570 1230 S HA 0.174 4.645 4.470 0.002 0.000 0.286 1230 S C 0.276 174.862 174.600 -0.023 0.000 1.099 1230 S CA -0.714 57.475 58.200 -0.018 0.000 0.913 1230 S CB 1.977 65.165 63.200 -0.020 0.000 1.085 1230 S HN 0.050 nan 8.310 nan 0.000 0.480 1231 D N 1.482 121.868 120.400 -0.023 0.000 2.340 1231 D HA 0.110 4.751 4.640 0.002 0.000 0.220 1231 D C 0.702 176.983 176.300 -0.032 0.000 1.039 1231 D CA 0.203 54.188 54.000 -0.026 0.000 0.866 1231 D CB 0.268 41.055 40.800 -0.022 0.000 0.913 1231 D HN 0.255 nan 8.370 nan 0.000 0.523 1232 S N -1.163 114.517 115.700 -0.033 0.000 3.073 1232 S HA 0.604 5.075 4.470 0.002 0.000 0.252 1232 S C -0.365 174.209 174.600 -0.044 0.000 0.953 1232 S CA -0.050 58.127 58.200 -0.039 0.000 1.105 1232 S CB -0.236 62.943 63.200 -0.035 0.000 1.070 1232 S HN 0.507 nan 8.310 nan 0.000 0.574 1233 A N 0.640 123.434 122.820 -0.043 0.000 2.552 1233 A HA 0.772 5.093 4.320 0.002 0.000 0.288 1233 A C -1.258 176.297 177.584 -0.048 0.000 1.193 1233 A CA -0.737 51.275 52.037 -0.042 0.000 0.713 1233 A CB 0.660 19.641 19.000 -0.031 0.000 1.305 1233 A HN 0.372 nan 8.150 nan 0.000 0.424 1234 L N 2.339 123.537 121.223 -0.042 0.000 2.418 1234 L HA 0.238 4.579 4.340 0.002 0.000 0.274 1234 L C 0.562 177.413 176.870 -0.031 0.000 1.135 1234 L CA -0.011 54.799 54.840 -0.050 0.000 0.870 1234 L CB -0.342 41.706 42.059 -0.018 0.000 1.154 1234 L HN 0.931 nan 8.230 nan 0.000 0.462 1235 N N 2.140 120.817 118.700 -0.038 0.000 3.167 1235 N HA 0.509 5.250 4.740 0.002 0.000 0.323 1235 N C 0.578 176.079 175.510 -0.016 0.000 1.478 1235 N CA -0.489 52.547 53.050 -0.023 0.000 0.753 1235 N CB 1.398 39.871 38.487 -0.024 0.000 1.721 1235 N HN 0.337 nan 8.380 nan 0.000 0.618 1236 A N 0.095 122.911 122.820 -0.006 0.000 1.972 1236 A HA -0.178 4.143 4.320 0.002 0.000 0.219 1236 A C 2.127 179.715 177.584 0.006 0.000 1.169 1236 A CA 1.214 53.256 52.037 0.008 0.000 0.635 1236 A CB -0.712 18.295 19.000 0.011 0.000 0.810 1236 A HN 0.678 nan 8.150 nan 0.000 0.446 1237 K N -0.209 120.184 120.400 -0.011 0.000 2.002 1237 K HA -0.176 4.145 4.320 0.002 0.000 0.209 1237 K C 2.096 178.674 176.600 -0.037 0.000 1.048 1237 K CA 1.352 57.626 56.287 -0.020 0.000 0.930 1237 K CB -0.321 32.163 32.500 -0.027 0.000 0.714 1237 K HN 0.279 nan 8.250 nan 0.000 0.438 1238 R N 0.774 121.238 120.500 -0.061 0.000 2.081 1238 R HA -0.038 4.303 4.340 0.002 0.000 0.235 1238 R C 2.516 178.757 176.300 -0.098 0.000 1.131 1238 R CA 0.952 56.983 56.100 -0.114 0.000 0.960 1238 R CB -0.954 29.253 30.300 -0.156 0.000 0.856 1238 R HN 0.304 nan 8.270 nan 0.000 0.436 1239 L N 0.317 121.522 121.223 -0.030 0.000 2.201 1239 L HA -0.074 4.267 4.340 0.002 0.000 0.212 1239 L C 2.475 179.428 176.870 0.138 0.000 1.105 1239 L CA 1.031 55.917 54.840 0.076 0.000 0.775 1239 L CB -0.517 41.604 42.059 0.104 0.000 0.913 1239 L HN 0.131 nan 8.230 nan 0.000 0.440 1240 A N -0.108 122.752 122.820 0.067 0.000 1.969 1240 A HA -0.184 4.137 4.320 0.002 0.000 0.218 1240 A C 2.176 179.766 177.584 0.011 0.000 1.169 1240 A CA 1.371 53.440 52.037 0.054 0.000 0.635 1240 A CB -0.261 18.757 19.000 0.029 0.000 0.810 1240 A HN 0.440 nan 8.150 nan 0.000 0.445 1241 E N -0.371 119.815 120.200 -0.022 0.000 2.072 1241 E HA -0.089 4.262 4.350 0.002 0.000 0.190 1241 E C 1.954 178.526 176.600 -0.045 0.000 0.982 1241 E CA 1.056 57.429 56.400 -0.045 0.000 0.803 1241 E CB -0.238 29.412 29.700 -0.084 0.000 0.755 1241 E HN 0.368 nan 8.360 nan 0.000 0.453 1242 V N 1.691 121.562 119.914 -0.071 0.000 2.324 1242 V HA -0.308 3.813 4.120 0.002 0.000 0.250 1242 V C 2.494 178.595 176.094 0.012 0.000 1.060 1242 V CA 2.050 64.327 62.300 -0.038 0.000 1.042 1242 V CB -0.557 31.275 31.823 0.014 0.000 0.650 1242 V HN 0.252 nan 8.190 nan 0.000 0.450 1243 R N 0.154 120.577 120.500 -0.128 0.000 2.075 1243 R HA -0.170 4.171 4.340 0.002 0.000 0.232 1243 R C 2.154 178.379 176.300 -0.126 0.000 1.126 1243 R CA 1.937 57.820 56.100 -0.362 0.000 0.963 1243 R CB -0.300 29.808 30.300 -0.320 0.000 0.858 1243 R HN 0.509 nan 8.270 nan 0.000 0.435 1244 N N 0.894 119.572 118.700 -0.037 0.000 2.166 1244 N HA -0.128 4.613 4.740 0.002 0.000 0.186 1244 N C 1.842 177.382 175.510 0.050 0.000 1.019 1244 N CA 1.070 54.124 53.050 0.007 0.000 0.856 1244 N CB -0.251 38.244 38.487 0.013 0.000 0.993 1244 N HN 0.225 nan 8.380 nan 0.000 0.426 1245 L N 0.354 121.627 121.223 0.084 0.000 2.046 1245 L HA -0.105 4.236 4.340 0.002 0.000 0.208 1245 L C 2.023 178.982 176.870 0.149 0.000 1.077 1245 L CA 0.870 55.796 54.840 0.144 0.000 0.747 1245 L CB -0.357 41.870 42.059 0.280 0.000 0.896 1245 L HN 0.143 nan 8.230 nan 0.000 0.432 1246 I N -0.629 120.025 120.570 0.140 0.000 2.226 1246 I HA -0.324 3.847 4.170 0.002 0.000 0.245 1246 I C 2.635 178.800 176.117 0.081 0.000 1.100 1246 I CA 1.336 62.686 61.300 0.083 0.000 1.374 1246 I CB -0.302 37.722 38.000 0.040 0.000 1.057 1246 I HN 0.355 nan 8.210 nan 0.000 0.413 1247 Q N 0.414 120.251 119.800 0.062 0.000 2.084 1247 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 1247 Q C 2.384 178.476 176.000 0.153 0.000 0.978 1247 Q CA 2.161 58.013 55.803 0.081 0.000 0.844 1247 Q CB -0.284 28.486 28.738 0.054 0.000 0.898 1247 Q HN 0.607 nan 8.270 nan 0.000 0.426 1248 S N 0.077 115.891 115.700 0.191 0.000 2.428 1248 S HA -0.085 4.386 4.470 0.002 0.000 0.230 1248 S C 1.945 176.845 174.600 0.500 0.000 1.014 1248 S CA 0.746 59.135 58.200 0.314 0.000 0.957 1248 S CB -0.187 63.190 63.200 0.295 0.000 0.784 1248 S HN 0.232 nan 8.310 nan 0.000 0.499 1249 M N 1.110 120.962 119.600 0.420 0.000 2.099 1249 M HA -0.009 4.472 4.480 0.002 0.000 0.262 1249 M C 2.668 179.165 176.300 0.328 0.000 1.067 1249 M CA 1.711 57.325 55.300 0.523 0.000 1.124 1249 M CB -0.279 32.507 32.600 0.309 0.000 1.353 1249 M HN 0.342 nan 8.290 nan 0.000 0.410 1250 R N -0.186 120.438 120.500 0.207 0.000 2.075 1250 R HA -0.109 4.232 4.340 0.002 0.000 0.232 1250 R C 1.921 178.285 176.300 0.107 0.000 1.126 1250 R CA 1.962 58.137 56.100 0.125 0.000 0.963 1250 R CB -0.301 30.046 30.300 0.079 0.000 0.858 1250 R HN 0.242 nan 8.270 nan 0.000 0.435 1251 T N 0.345 114.990 114.554 0.151 0.000 2.746 1251 T HA -0.151 4.200 4.350 0.002 0.000 0.267 1251 T C 1.321 176.055 174.700 0.057 0.000 1.039 1251 T CA 1.509 63.694 62.100 0.141 0.000 1.142 1251 T CB -0.342 68.667 68.868 0.236 0.000 0.866 1251 T HN 0.219 nan 8.240 nan 0.000 0.444 1252 F N 1.364 121.242 119.950 -0.120 0.000 2.146 1252 F HA -0.103 4.425 4.527 0.002 0.000 0.298 1252 F C 2.313 177.851 175.800 -0.437 0.000 1.096 1252 F CA 0.804 58.503 58.000 -0.503 0.000 1.275 1252 F CB -0.362 37.953 39.000 -1.142 0.000 1.008 1252 F HN -0.106 nan 8.300 nan 0.000 0.480 1253 V N 0.137 119.995 119.914 -0.095 0.000 2.261 1253 V HA -0.321 3.800 4.120 0.002 0.000 0.246 1253 V C 2.031 178.037 176.094 -0.146 0.000 1.047 1253 V CA 2.274 64.554 62.300 -0.034 0.000 1.015 1253 V CB -0.630 31.242 31.823 0.081 0.000 0.642 1253 V HN 0.265 nan 8.190 nan 0.000 0.446 1254 D N -0.598 119.732 120.400 -0.116 0.000 2.117 1254 D HA -0.142 4.498 4.640 0.002 0.000 0.198 1254 D C 2.325 178.526 176.300 -0.166 0.000 0.982 1254 D CA 1.307 55.238 54.000 -0.114 0.000 0.828 1254 D CB -0.074 40.694 40.800 -0.053 0.000 0.967 1254 D HN 0.539 nan 8.370 nan 0.000 0.464 1255 Q N -0.679 118.979 119.800 -0.236 0.000 2.392 1255 Q HA 0.107 4.448 4.340 0.002 0.000 0.219 1255 Q C 1.676 177.381 176.000 -0.491 0.000 0.895 1255 Q CA 0.194 55.860 55.803 -0.228 0.000 0.929 1255 Q CB 1.500 30.223 28.738 -0.024 0.000 1.077 1255 Q HN 0.123 nan 8.270 nan 0.000 0.532 1256 V N -0.977 118.444 119.914 -0.822 0.000 3.001 1256 V HA -0.078 4.042 4.120 0.002 0.000 0.228 1256 V C 1.511 177.315 176.094 -0.483 0.000 1.204 1256 V CA 0.551 62.206 62.300 -1.075 0.000 1.247 1256 V CB -0.625 29.847 31.823 -2.252 0.000 1.093 1256 V HN 0.207 nan 8.190 nan 0.000 0.504 1257 Y N 1.759 121.722 120.300 -0.563 0.000 2.070 1257 Y HA -0.163 4.388 4.550 0.002 0.000 0.279 1257 Y C 2.359 178.051 175.900 -0.347 0.000 1.134 1257 Y CA 2.002 59.940 58.100 -0.270 0.000 1.113 1257 Y CB -0.772 37.582 38.460 -0.177 0.000 0.981 1257 Y HN -0.008 nan 8.280 nan 0.000 0.487 1258 V N 1.345 120.992 119.914 -0.445 0.000 2.295 1258 V HA -0.223 3.898 4.120 0.002 0.000 0.246 1258 V C -0.455 175.432 176.094 -0.345 0.000 1.049 1258 V CA 2.551 64.532 62.300 -0.533 0.000 1.024 1258 V CB -1.808 29.781 31.823 -0.389 0.000 0.648 1258 V HN 0.277 nan 8.190 nan 0.000 0.447 1259 P HA -0.068 nan 4.420 nan 0.000 0.219 1259 P C 1.023 178.272 177.300 -0.085 0.000 1.150 1259 P CA 1.200 64.218 63.100 -0.138 0.000 0.814 1259 P CB -0.009 31.634 31.700 -0.096 0.000 0.787 1260 D N -1.486 118.880 120.400 -0.056 0.000 2.117 1260 D HA -0.101 4.540 4.640 0.002 0.000 0.198 1260 D C 1.866 178.152 176.300 -0.024 0.000 0.982 1260 D CA 1.360 55.408 54.000 0.080 0.000 0.828 1260 D CB -0.985 40.001 40.800 0.309 0.000 0.967 1260 D HN 0.095 nan 8.370 nan 0.000 0.464 1261 T N 1.004 115.367 114.554 -0.318 0.000 2.684 1261 T HA -0.088 4.263 4.350 0.002 0.000 0.267 1261 T C 2.154 176.712 174.700 -0.238 0.000 1.036 1261 T CA 0.722 62.547 62.100 -0.458 0.000 1.148 1261 T CB -0.296 68.100 68.868 -0.787 0.000 0.863 1261 T HN 0.133 nan 8.240 nan 0.000 0.436 1262 L N 0.627 121.723 121.223 -0.212 0.000 2.141 1262 L HA -0.017 4.323 4.340 0.002 0.000 0.209 1262 L C 3.040 179.871 176.870 -0.066 0.000 1.094 1262 L CA 1.051 55.807 54.840 -0.142 0.000 0.763 1262 L CB -0.729 41.246 42.059 -0.140 0.000 0.908 1262 L HN 0.238 nan 8.230 nan 0.000 0.437 1263 A N 0.579 123.392 122.820 -0.013 0.000 1.873 1263 A HA -0.128 4.193 4.320 0.002 0.000 0.215 1263 A C 2.220 179.921 177.584 0.196 0.000 1.186 1263 A CA 1.298 53.380 52.037 0.075 0.000 0.616 1263 A CB -0.569 18.499 19.000 0.113 0.000 0.823 1263 A HN 0.305 nan 8.150 nan 0.000 0.442 1264 I N -0.084 120.600 120.570 0.189 0.000 2.286 1264 I HA -0.270 3.901 4.170 0.002 0.000 0.248 1264 I C 2.920 179.189 176.117 0.253 0.000 1.115 1264 I CA 0.975 62.440 61.300 0.274 0.000 1.392 1264 I CB -0.287 37.828 38.000 0.192 0.000 1.065 1264 I HN 0.356 nan 8.210 nan 0.000 0.418 1265 A N 0.911 123.758 122.820 0.044 0.000 1.978 1265 A HA -0.150 4.171 4.320 0.002 0.000 0.220 1265 A C 2.407 180.010 177.584 0.032 0.000 1.170 1265 A CA 1.789 53.818 52.037 -0.014 0.000 0.636 1265 A CB -1.382 17.554 19.000 -0.106 0.000 0.810 1265 A HN 0.477 nan 8.150 nan 0.000 0.448 1266 G N -1.815 106.967 108.800 -0.031 0.000 2.498 1266 G HA2 -0.109 3.852 3.960 0.002 0.000 0.219 1266 G HA3 -0.109 3.852 3.960 0.002 0.000 0.219 1266 G C 1.007 175.703 174.900 -0.340 0.000 1.119 1266 G CA 0.899 45.876 45.100 -0.205 0.000 0.766 1266 G HN 0.497 nan 8.290 nan 0.000 0.552 1267 F N -1.562 118.330 119.950 -0.096 0.000 2.727 1267 F HA 0.379 4.907 4.527 0.002 0.000 0.302 1267 F C 0.448 176.005 175.800 -0.404 0.000 1.097 1267 F CA -0.269 57.570 58.000 -0.268 0.000 1.330 1267 F CB 0.459 39.214 39.000 -0.409 0.000 1.084 1267 F HN 0.094 nan 8.300 nan 0.000 0.578 1268 Y N -0.871 119.544 120.300 0.191 0.000 2.666 1268 Y HA 0.233 4.784 4.550 0.002 0.000 0.264 1268 Y C 1.297 177.343 175.900 0.243 0.000 1.054 1268 Y CA -0.690 57.569 58.100 0.266 0.000 1.121 1268 Y CB -0.064 38.491 38.460 0.157 0.000 1.190 1268 Y HN -0.139 nan 8.280 nan 0.000 0.587 1269 K N 0.559 121.093 120.400 0.224 0.000 2.147 1269 K HA -0.174 4.147 4.320 0.002 0.000 0.205 1269 K C 1.633 178.323 176.600 0.149 0.000 1.049 1269 K CA 1.624 57.992 56.287 0.136 0.000 0.936 1269 K CB -0.035 32.489 32.500 0.040 0.000 0.722 1269 K HN 0.496 nan 8.250 nan 0.000 0.446 1270 D N -0.107 120.395 120.400 0.169 0.000 2.351 1270 D HA -0.189 4.452 4.640 0.002 0.000 0.216 1270 D C 0.902 177.177 176.300 -0.040 0.000 0.968 1270 D CA 0.628 54.659 54.000 0.052 0.000 0.899 1270 D CB -0.218 40.584 40.800 0.003 0.000 0.907 1270 D HN 0.274 nan 8.370 nan 0.000 0.514 1271 W N 1.133 122.519 121.300 0.144 0.000 3.077 1271 W HA 0.341 5.002 4.660 0.002 0.000 0.245 1271 W C 2.303 178.874 176.519 0.087 0.000 1.316 1271 W CA 0.362 57.793 57.345 0.143 0.000 1.537 1271 W CB 0.027 29.647 29.460 0.266 0.000 1.131 1271 W HN 0.076 nan 8.180 nan 0.000 0.695 1272 G N -0.214 108.685 108.800 0.166 0.000 2.920 1272 G HA2 -0.065 3.896 3.960 0.002 0.000 0.208 1272 G HA3 -0.065 3.896 3.960 0.002 0.000 0.208 1272 G C 0.998 175.929 174.900 0.053 0.000 1.159 1272 G CA 0.166 45.322 45.100 0.094 0.000 0.784 1272 G HN 0.304 nan 8.290 nan 0.000 0.535 1273 E N -0.680 119.520 120.200 -0.001 0.000 2.562 1273 E HA 0.161 4.512 4.350 0.002 0.000 0.214 1273 E C 0.697 177.258 176.600 -0.064 0.000 0.979 1273 E CA -0.291 56.088 56.400 -0.035 0.000 1.002 1273 E CB 0.594 30.248 29.700 -0.077 0.000 1.048 1273 E HN 0.527 nan 8.360 nan 0.000 0.488 1274 R N -2.028 118.433 120.500 -0.065 0.000 2.764 1274 R HA 0.652 4.993 4.340 0.002 0.000 0.270 1274 R C 0.206 176.605 176.300 0.164 0.000 1.014 1274 R CA -0.418 55.654 56.100 -0.048 0.000 0.904 1274 R CB 1.015 31.082 30.300 -0.388 0.000 1.236 1274 R HN -0.006 nan 8.270 nan 0.000 0.466 1275 G N 0.040 109.039 108.800 0.332 0.000 2.134 1275 G HA2 -0.191 3.770 3.960 0.002 0.000 0.209 1275 G HA3 -0.191 3.770 3.960 0.002 0.000 0.209 1275 G C -0.429 174.658 174.900 0.311 0.000 0.993 1275 G CA 0.245 45.608 45.100 0.439 0.000 0.669 1275 G HN 0.577 nan 8.290 nan 0.000 0.519 1276 E N 0.037 120.394 120.200 0.263 0.000 2.409 1276 E HA 0.525 4.876 4.350 0.002 0.000 0.259 1276 E C 0.745 177.463 176.600 0.197 0.000 0.932 1276 E CA 0.074 56.636 56.400 0.271 0.000 0.809 1276 E CB 0.650 30.543 29.700 0.321 0.000 1.341 1276 E HN 0.459 nan 8.360 nan 0.000 0.405 1277 G N 3.294 112.191 108.800 0.162 0.000 3.277 1277 G HA2 0.138 4.099 3.960 0.002 0.000 0.243 1277 G HA3 0.138 4.099 3.960 0.002 0.000 0.243 1277 G C 0.932 175.852 174.900 0.034 0.000 1.107 1277 G CA 0.011 45.162 45.100 0.085 0.000 0.771 1277 G HN 0.429 nan 8.290 nan 0.000 0.544 1278 L N -0.656 120.574 121.223 0.011 0.000 2.362 1278 L HA 0.284 4.625 4.340 0.002 0.000 0.204 1278 L C 2.267 179.073 176.870 -0.108 0.000 1.060 1278 L CA 0.737 55.538 54.840 -0.065 0.000 0.827 1278 L CB -0.033 41.954 42.059 -0.120 0.000 1.027 1278 L HN 0.288 nan 8.230 nan 0.000 0.474 1279 G N 1.012 109.734 108.800 -0.129 0.000 2.189 1279 G HA2 -0.307 3.654 3.960 0.002 0.000 0.267 1279 G HA3 -0.307 3.654 3.960 0.002 0.000 0.267 1279 G C -0.013 174.798 174.900 -0.148 0.000 0.975 1279 G CA 0.564 45.614 45.100 -0.083 0.000 0.644 1279 G HN 0.528 nan 8.290 nan 0.000 0.537 1280 N N -0.818 117.602 118.700 -0.468 0.000 2.314 1280 N HA 0.752 5.493 4.740 0.002 0.000 0.304 1280 N C -1.176 173.838 175.510 -0.828 0.000 1.073 1280 N CA -0.705 52.122 53.050 -0.373 0.000 0.822 1280 N CB 1.328 39.719 38.487 -0.161 0.000 1.280 1280 N HN 0.083 nan 8.380 nan 0.000 0.489 1281 F N 1.176 121.096 119.950 -0.051 0.000 2.578 1281 F HA 0.493 5.021 4.527 0.001 0.000 0.311 1281 F C -0.647 175.003 175.800 -0.249 0.000 1.094 1281 F CA -0.793 57.144 58.000 -0.104 0.000 0.923 1281 F CB 1.753 40.732 39.000 -0.036 0.000 1.230 1281 F HN 0.122 nan 8.300 nan 0.000 0.450 1282 L N 3.007 124.121 121.223 -0.182 0.000 2.410 1282 L HA 0.725 5.066 4.340 0.002 0.000 0.270 1282 L C -1.669 174.991 176.870 -0.350 0.000 0.983 1282 L CA -0.326 54.272 54.840 -0.404 0.000 0.822 1282 L CB 1.645 43.284 42.059 -0.700 0.000 1.285 1282 L HN 0.777 nan 8.230 nan 0.000 0.409 1283 C N 3.357 122.508 119.300 -0.247 0.000 2.547 1283 C HA 0.395 4.856 4.460 0.002 0.000 0.313 1283 C C 0.660 175.656 174.990 0.011 0.000 1.191 1283 C CA -0.677 58.232 59.018 -0.183 0.000 1.474 1283 C CB 1.534 29.230 27.740 -0.074 0.000 2.081 1283 C HN 0.788 nan 8.230 nan 0.000 0.476 1284 Y N 1.670 121.955 120.300 -0.026 0.000 2.517 1284 Y HA 0.302 4.853 4.550 0.001 0.000 0.281 1284 Y C 1.720 177.699 175.900 0.132 0.000 1.125 1284 Y CA 0.893 59.028 58.100 0.058 0.000 1.283 1284 Y CB -0.957 37.527 38.460 0.040 0.000 1.042 1284 Y HN 1.098 nan 8.280 nan 0.000 0.547 1285 G N 0.697 109.616 108.800 0.198 0.000 2.787 1285 G HA2 -0.015 3.946 3.960 0.002 0.000 0.685 1285 G HA3 -0.015 3.946 3.960 0.002 0.000 0.685 1285 G C -1.102 173.586 174.900 -0.353 0.000 1.437 1285 G CA -0.106 45.083 45.100 0.149 0.000 0.872 1285 G HN 0.250 nan 8.290 nan 0.000 0.566 1286 D N -1.104 118.825 120.400 -0.785 0.000 2.764 1286 D HA 0.498 5.139 4.640 0.002 0.000 0.293 1286 D C 0.156 176.007 176.300 -0.748 0.000 1.287 1286 D CA 0.162 53.572 54.000 -0.984 0.000 0.768 1286 D CB 0.774 41.417 40.800 -0.263 0.000 1.288 1286 D HN 1.603 nan 8.370 nan 0.000 0.426 1287 L N -0.675 120.249 121.223 -0.498 0.000 3.222 1287 L HA -0.112 4.229 4.340 0.002 0.000 0.700 1287 L C -2.305 174.561 176.870 -0.007 0.000 1.229 1287 L CA -0.336 54.345 54.840 -0.265 0.000 1.229 1287 L CB -1.176 40.760 42.059 -0.205 0.000 1.842 1287 L HN 0.269 nan 8.230 nan 0.000 0.905 1288 P HA 0.141 nan 4.420 nan 0.000 0.276 1288 P C 0.898 178.298 177.300 0.166 0.000 1.252 1288 P CA 0.087 63.354 63.100 0.278 0.000 0.802 1288 P CB 0.901 32.761 31.700 0.267 0.000 1.035 1289 T N -2.142 112.523 114.554 0.184 0.000 3.054 1289 T HA 0.233 4.584 4.350 0.002 0.000 0.259 1289 T C 1.076 175.852 174.700 0.126 0.000 1.092 1289 T CA 0.596 62.813 62.100 0.195 0.000 1.121 1289 T CB -0.495 68.470 68.868 0.161 0.000 0.912 1289 T HN 0.524 nan 8.240 nan 0.000 0.489 1290 G N -0.272 108.576 108.800 0.079 0.000 3.175 1290 G HA2 0.626 4.587 3.960 0.002 0.000 0.255 1290 G HA3 0.626 4.587 3.960 0.002 0.000 0.255 1290 G C 1.005 175.918 174.900 0.022 0.000 1.352 1290 G CA -0.293 44.834 45.100 0.046 0.000 1.037 1290 G HN 0.195 nan 8.290 nan 0.000 0.556 1291 A N -0.624 122.202 122.820 0.010 0.000 1.969 1291 A HA 0.245 4.566 4.320 0.002 0.000 0.218 1291 A C 1.818 179.402 177.584 -0.000 0.000 1.169 1291 A CA 1.820 53.855 52.037 -0.003 0.000 0.635 1291 A CB -0.721 18.275 19.000 -0.006 0.000 0.810 1291 A HN 1.321 nan 8.150 nan 0.000 0.445 1292 S N -0.504 115.200 115.700 0.008 0.000 2.565 1292 S HA 0.413 4.883 4.470 0.002 0.000 0.274 1292 S C 0.127 174.749 174.600 0.037 0.000 1.309 1292 S CA -0.624 57.582 58.200 0.009 0.000 1.043 1292 S CB 0.574 63.772 63.200 -0.004 0.000 0.939 1292 S HN 0.334 nan 8.310 nan 0.000 0.504 1293 L N 3.651 124.904 121.223 0.050 0.000 2.511 1293 L HA 0.184 4.525 4.340 0.002 0.000 0.239 1293 L C -0.003 176.906 176.870 0.065 0.000 1.400 1293 L CA 0.072 54.993 54.840 0.135 0.000 1.226 1293 L CB -0.800 41.328 42.059 0.115 0.000 1.475 1293 L HN 0.739 nan 8.230 nan 0.000 0.428 1294 D N 1.401 121.768 120.400 -0.055 0.000 2.280 1294 D HA 0.231 4.872 4.640 0.002 0.000 0.236 1294 D C -1.821 174.069 176.300 -0.683 0.000 1.082 1294 D CA -2.259 51.598 54.000 -0.237 0.000 0.834 1294 D CB 2.004 42.728 40.800 -0.126 0.000 1.100 1294 D HN 0.018 nan 8.370 nan 0.000 0.486 1295 P HA 0.005 nan 4.420 nan 0.000 0.223 1295 P C 0.820 177.706 177.300 -0.690 0.000 1.151 1295 P CA 0.753 62.963 63.100 -1.484 0.000 0.787 1295 P CB 0.211 31.528 31.700 -0.638 0.000 0.788 1296 A N -1.381 121.223 122.820 -0.360 0.000 2.172 1296 A HA -0.067 4.254 4.320 0.002 0.000 0.216 1296 A C 2.086 179.615 177.584 -0.091 0.000 1.154 1296 A CA 1.624 53.569 52.037 -0.154 0.000 0.701 1296 A CB -1.343 17.600 19.000 -0.096 0.000 0.789 1296 A HN 0.125 nan 8.150 nan 0.000 0.465 1297 T N -0.977 113.498 114.554 -0.131 0.000 3.054 1297 T HA 0.333 4.684 4.350 0.002 0.000 0.255 1297 T C -0.005 174.810 174.700 0.192 0.000 1.035 1297 T CA -0.433 61.678 62.100 0.020 0.000 0.941 1297 T CB -0.372 68.499 68.868 0.006 0.000 1.026 1297 T HN 0.368 nan 8.240 nan 0.000 0.533 1298 F N 1.284 121.265 119.950 0.052 0.000 2.429 1298 F HA 0.240 4.768 4.527 0.002 0.000 0.348 1298 F C 1.496 177.320 175.800 0.040 0.000 1.109 1298 F CA -0.883 57.149 58.000 0.054 0.000 1.232 1298 F CB 0.885 39.933 39.000 0.079 0.000 1.157 1298 F HN -0.020 nan 8.300 nan 0.000 0.564 1299 L N 2.610 123.923 121.223 0.150 0.000 1.970 1299 L HA -0.178 4.163 4.340 0.002 0.000 0.212 1299 L C 0.245 177.062 176.870 -0.089 0.000 1.071 1299 L CA 1.576 56.375 54.840 -0.068 0.000 0.751 1299 L CB -0.079 41.780 42.059 -0.333 0.000 0.889 1299 L HN 0.341 nan 8.230 nan 0.000 0.432 1300 F N 1.172 121.143 119.950 0.035 0.000 2.404 1300 F HA 0.335 4.863 4.527 0.001 0.000 0.358 1300 F C -1.853 174.027 175.800 0.134 0.000 1.120 1300 F CA -3.590 54.417 58.000 0.012 0.000 1.144 1300 F CB -0.068 38.898 39.000 -0.057 0.000 1.133 1300 F HN -0.035 nan 8.300 nan 0.000 0.495 1301 P HA 0.115 nan 4.420 nan 0.000 0.275 1301 P C -0.335 177.135 177.300 0.282 0.000 1.228 1301 P CA -0.548 62.733 63.100 0.302 0.000 0.786 1301 P CB 0.774 32.587 31.700 0.189 0.000 0.927 1302 R N 1.092 121.775 120.500 0.304 0.000 2.390 1302 R HA 0.580 4.921 4.340 0.002 0.000 0.291 1302 R C 0.159 176.552 176.300 0.154 0.000 1.070 1302 R CA 0.277 56.526 56.100 0.248 0.000 1.014 1302 R CB -0.112 30.348 30.300 0.267 0.000 1.007 1302 R HN 0.825 nan 8.270 nan 0.000 0.466 1303 G N 0.944 109.808 108.800 0.106 0.000 2.320 1303 G HA2 0.423 4.384 3.960 0.002 0.000 0.297 1303 G HA3 0.423 4.384 3.960 0.002 0.000 0.297 1303 G C -2.062 172.803 174.900 -0.058 0.000 1.344 1303 G CA -0.294 44.841 45.100 0.060 0.000 0.851 1303 G HN 0.777 nan 8.290 nan 0.000 0.567 1304 A N -0.523 122.246 122.820 -0.084 0.000 2.414 1304 A HA 0.859 5.180 4.320 0.002 0.000 0.306 1304 A C -0.703 176.898 177.584 0.028 0.000 1.054 1304 A CA -0.595 51.304 52.037 -0.230 0.000 0.724 1304 A CB 1.186 19.663 19.000 -0.871 0.000 1.267 1304 A HN 0.906 nan 8.150 nan 0.000 0.418 1305 I N 2.242 122.859 120.570 0.078 0.000 2.377 1305 I HA 0.411 4.582 4.170 0.002 0.000 0.293 1305 I C -0.632 175.602 176.117 0.195 0.000 0.987 1305 I CA -0.348 61.081 61.300 0.215 0.000 1.185 1305 I CB 1.506 39.673 38.000 0.279 0.000 1.341 1305 I HN 0.499 nan 8.210 nan 0.000 0.455 1306 L N 4.802 126.160 121.223 0.224 0.000 2.333 1306 L HA 0.455 4.796 4.340 0.002 0.000 0.269 1306 L C -0.192 176.760 176.870 0.137 0.000 1.010 1306 L CA -0.830 54.096 54.840 0.143 0.000 0.818 1306 L CB 1.396 43.517 42.059 0.105 0.000 1.306 1306 L HN 0.597 nan 8.230 nan 0.000 0.430 1307 D N 2.057 122.502 120.400 0.075 0.000 2.737 1307 D HA -0.218 4.423 4.640 0.002 0.000 0.233 1307 D C 0.364 176.671 176.300 0.013 0.000 1.155 1307 D CA 0.854 54.874 54.000 0.034 0.000 0.667 1307 D CB -0.760 40.063 40.800 0.038 0.000 1.060 1307 D HN 0.701 nan 8.370 nan 0.000 0.427 1308 R N -1.655 118.870 120.500 0.042 0.000 3.627 1308 R HA -0.231 4.110 4.340 0.002 0.000 0.281 1308 R C -0.252 176.090 176.300 0.069 0.000 1.140 1308 R CA 1.117 57.197 56.100 -0.034 0.000 0.761 1308 R CB -1.501 28.491 30.300 -0.513 0.000 1.181 1308 R HN 0.272 nan 8.270 nan 0.000 0.472 1309 D N 0.527 121.003 120.400 0.127 0.000 2.427 1309 D HA 0.149 4.790 4.640 0.002 0.000 0.226 1309 D C 0.588 176.972 176.300 0.139 0.000 1.076 1309 D CA -0.579 53.493 54.000 0.120 0.000 0.849 1309 D CB 1.018 41.889 40.800 0.118 0.000 1.052 1309 D HN -0.068 nan 8.370 nan 0.000 0.515 1310 L N 3.049 124.355 121.223 0.138 0.000 2.591 1310 L HA 0.037 4.378 4.340 0.002 0.000 0.228 1310 L C 2.132 179.059 176.870 0.095 0.000 1.133 1310 L CA 0.673 55.596 54.840 0.139 0.000 0.880 1310 L CB -0.872 41.296 42.059 0.183 0.000 1.033 1310 L HN 0.463 nan 8.230 nan 0.000 0.450 1311 S N -3.244 112.501 115.700 0.076 0.000 2.558 1311 S HA 0.096 4.567 4.470 0.002 0.000 0.217 1311 S C 0.714 175.323 174.600 0.015 0.000 0.975 1311 S CA -0.105 58.122 58.200 0.045 0.000 0.912 1311 S CB -0.147 63.080 63.200 0.045 0.000 0.776 1311 S HN 0.291 nan 8.310 nan 0.000 0.526 1312 T N 3.496 118.051 114.554 0.002 0.000 2.890 1312 T HA 0.501 4.852 4.350 0.002 0.000 0.295 1312 T C -0.939 173.668 174.700 -0.155 0.000 0.993 1312 T CA -0.567 61.471 62.100 -0.102 0.000 0.979 1312 T CB 1.170 69.939 68.868 -0.164 0.000 0.967 1312 T HN 0.085 nan 8.240 nan 0.000 0.441 1313 I N 4.318 124.804 120.570 -0.139 0.000 2.304 1313 I HA 0.228 4.399 4.170 0.002 0.000 0.291 1313 I C 0.678 176.710 176.117 -0.142 0.000 1.018 1313 I CA -0.769 60.489 61.300 -0.070 0.000 1.260 1313 I CB 0.219 38.222 38.000 0.005 0.000 1.390 1313 I HN 0.591 nan 8.210 nan 0.000 0.475 1314 H N 5.530 124.661 119.070 0.101 0.000 2.610 1314 H HA 0.204 4.761 4.556 0.002 0.000 0.336 1314 H C 0.192 175.628 175.328 0.180 0.000 1.087 1314 H CA -0.288 55.865 56.048 0.175 0.000 1.405 1314 H CB 1.146 31.086 29.762 0.297 0.000 1.460 1314 H HN 0.477 nan 8.280 nan 0.000 0.538 1315 E N 1.889 122.267 120.200 0.297 0.000 2.413 1315 E HA 0.083 4.434 4.350 0.002 0.000 0.263 1315 E C 0.083 176.917 176.600 0.389 0.000 1.015 1315 E CA -0.026 56.533 56.400 0.265 0.000 0.916 1315 E CB 1.431 31.255 29.700 0.207 0.000 0.947 1315 E HN 0.304 nan 8.360 nan 0.000 0.440 1316 V N 1.180 121.290 119.914 0.326 0.000 2.555 1316 V HA 0.400 4.521 4.120 0.002 0.000 0.302 1316 V C -0.833 175.448 176.094 0.312 0.000 1.038 1316 V CA -0.742 61.813 62.300 0.425 0.000 0.887 1316 V CB 2.013 34.094 31.823 0.431 0.000 0.991 1316 V HN 0.553 nan 8.190 nan 0.000 0.434 1317 D N 4.012 124.606 120.400 0.324 0.000 2.481 1317 D HA 0.401 5.042 4.640 0.002 0.000 0.246 1317 D C 0.477 176.935 176.300 0.263 0.000 1.109 1317 D CA -0.348 53.787 54.000 0.225 0.000 0.845 1317 D CB 1.999 42.898 40.800 0.166 0.000 1.160 1317 D HN 0.550 nan 8.370 nan 0.000 0.534 1318 L N 2.870 124.230 121.223 0.229 0.000 2.478 1318 L HA 0.103 4.443 4.340 0.002 0.000 0.223 1318 L C 1.908 179.084 176.870 0.510 0.000 1.140 1318 L CA 0.884 55.921 54.840 0.328 0.000 0.842 1318 L CB 0.071 42.187 42.059 0.095 0.000 0.953 1318 L HN 0.457 nan 8.230 nan 0.000 0.452 1319 E N -0.152 120.246 120.200 0.329 0.000 2.431 1319 E HA 0.215 4.566 4.350 0.002 0.000 0.200 1319 E C 0.861 177.462 176.600 0.002 0.000 0.995 1319 E CA 0.075 56.651 56.400 0.294 0.000 0.915 1319 E CB 0.296 30.174 29.700 0.298 0.000 0.930 1319 E HN 0.339 nan 8.360 nan 0.000 0.496 1320 A N 1.586 124.417 122.820 0.019 0.000 2.476 1320 A HA 0.027 4.348 4.320 0.002 0.000 0.275 1320 A C 1.255 178.699 177.584 -0.233 0.000 1.133 1320 A CA 0.189 52.181 52.037 -0.076 0.000 0.797 1320 A CB 0.150 19.148 19.000 -0.005 0.000 1.081 1320 A HN 0.008 nan 8.150 nan 0.000 0.510 1321 T N 2.833 117.194 114.554 -0.321 0.000 2.721 1321 T HA -0.162 4.188 4.350 0.002 0.000 0.268 1321 T C 1.776 176.394 174.700 -0.138 0.000 1.038 1321 T CA 2.406 64.303 62.100 -0.338 0.000 1.145 1321 T CB -0.169 68.566 68.868 -0.223 0.000 0.858 1321 T HN 0.869 nan 8.240 nan 0.000 0.459 1322 G N -0.293 108.451 108.800 -0.095 0.000 3.088 1322 G HA2 0.109 4.070 3.960 0.002 0.000 0.212 1322 G HA3 0.109 4.070 3.960 0.002 0.000 0.212 1322 G C 1.047 175.906 174.900 -0.067 0.000 1.173 1322 G CA 0.215 45.277 45.100 -0.063 0.000 0.779 1322 G HN 0.544 nan 8.290 nan 0.000 0.540 1323 E N -0.274 119.898 120.200 -0.047 0.000 2.062 1323 E HA 0.199 4.550 4.350 0.002 0.000 0.196 1323 E C 0.203 176.829 176.600 0.043 0.000 0.949 1323 E CA -0.374 55.967 56.400 -0.098 0.000 0.889 1323 E CB 0.122 29.791 29.700 -0.052 0.000 0.928 1323 E HN 0.209 nan 8.360 nan 0.000 0.476 1324 I N 2.186 122.896 120.570 0.233 0.000 2.352 1324 I HA 0.116 4.287 4.170 0.002 0.000 0.290 1324 I C -0.479 175.669 176.117 0.051 0.000 1.036 1324 I CA 0.262 61.741 61.300 0.298 0.000 1.336 1324 I CB 1.052 39.259 38.000 0.345 0.000 1.407 1324 I HN 0.255 nan 8.210 nan 0.000 0.497 1325 Q N 5.664 125.465 119.800 0.002 0.000 2.389 1325 Q HA 0.476 4.817 4.340 0.002 0.000 0.277 1325 Q C -1.296 174.559 176.000 -0.242 0.000 1.082 1325 Q CA -0.921 54.769 55.803 -0.189 0.000 0.810 1325 Q CB 2.882 31.472 28.738 -0.247 0.000 1.374 1325 Q HN 0.487 nan 8.270 nan 0.000 0.422 1326 E N 1.503 121.494 120.200 -0.347 0.000 2.151 1326 E HA 0.416 4.767 4.350 0.002 0.000 0.275 1326 E C -1.196 175.240 176.600 -0.273 0.000 0.936 1326 E CA -0.298 55.953 56.400 -0.249 0.000 0.777 1326 E CB 1.210 30.776 29.700 -0.224 0.000 1.108 1326 E HN 0.285 nan 8.360 nan 0.000 0.401 1327 F N 0.870 120.773 119.950 -0.078 0.000 2.483 1327 F HA 0.248 4.776 4.527 0.002 0.000 0.329 1327 F C 0.944 176.612 175.800 -0.220 0.000 1.064 1327 F CA -0.752 57.198 58.000 -0.083 0.000 0.986 1327 F CB 1.593 40.543 39.000 -0.083 0.000 1.218 1327 F HN 0.262 nan 8.300 nan 0.000 0.484 1328 V N -1.528 118.303 119.914 -0.138 0.000 3.111 1328 V HA 0.245 4.366 4.120 0.002 0.000 0.343 1328 V C 0.346 176.300 176.094 -0.234 0.000 1.417 1328 V CA -0.355 61.780 62.300 -0.275 0.000 1.142 1328 V CB -0.453 31.042 31.823 -0.547 0.000 1.114 1328 V HN 0.741 nan 8.190 nan 0.000 0.520 1329 N N 1.386 119.986 118.700 -0.165 0.000 2.272 1329 N HA -0.097 4.644 4.740 0.002 0.000 0.185 1329 N C 0.932 176.084 175.510 -0.597 0.000 1.014 1329 N CA 1.953 54.815 53.050 -0.313 0.000 0.870 1329 N CB -0.399 37.919 38.487 -0.282 0.000 0.975 1329 N HN 0.817 nan 8.380 nan 0.000 0.433 1330 H N -1.593 117.319 119.070 -0.264 0.000 2.549 1330 H HA 0.443 5.000 4.556 0.001 0.000 0.253 1330 H C -0.700 174.199 175.328 -0.715 0.000 1.170 1330 H CA -0.345 55.434 56.048 -0.448 0.000 0.943 1330 H CB 0.621 30.075 29.762 -0.513 0.000 1.849 1330 H HN -0.053 nan 8.280 nan 0.000 0.603 1331 S N -0.301 115.122 115.700 -0.462 0.000 2.600 1331 S HA 0.167 4.638 4.470 0.002 0.000 0.300 1331 S C -0.633 173.706 174.600 -0.435 0.000 1.087 1331 S CA -0.885 57.021 58.200 -0.490 0.000 0.965 1331 S CB 1.342 64.477 63.200 -0.109 0.000 1.089 1331 S HN 0.380 nan 8.310 nan 0.000 0.496 1332 W N 2.855 123.827 121.300 -0.546 0.000 1.496 1332 W HA 0.364 5.025 4.660 0.001 0.000 0.422 1332 W C -0.996 175.050 176.519 -0.789 0.000 0.638 1332 W CA -0.578 56.288 57.345 -0.799 0.000 2.105 1332 W CB -1.304 27.347 29.460 -1.349 0.000 1.639 1332 W HN 0.549 nan 8.180 nan 0.000 0.304 1333 Y N -0.317 119.973 120.300 -0.017 0.000 2.576 1333 Y HA 0.310 4.860 4.550 -0.001 0.000 0.346 1333 Y C -0.090 175.774 175.900 -0.059 0.000 1.018 1333 Y CA -1.369 56.737 58.100 0.010 0.000 1.050 1333 Y CB 1.949 40.372 38.460 -0.061 0.000 1.280 1333 Y HN -0.106 nan 8.280 nan 0.000 0.474 1334 E N 0.859 121.170 120.200 0.186 0.000 2.151 1334 E HA 0.380 4.731 4.350 0.002 0.000 0.275 1334 E C -1.894 174.859 176.600 0.255 0.000 0.936 1334 E CA -0.500 55.980 56.400 0.132 0.000 0.777 1334 E CB 0.654 30.427 29.700 0.121 0.000 1.108 1334 E HN 0.360 nan 8.360 nan 0.000 0.401 1335 Y N 2.678 123.004 120.300 0.043 0.000 2.335 1335 Y HA 0.102 4.652 4.550 0.000 0.000 0.339 1335 Y C 1.559 177.461 175.900 0.003 0.000 0.987 1335 Y CA -1.164 56.940 58.100 0.006 0.000 1.140 1335 Y CB 1.659 40.100 38.460 -0.031 0.000 1.173 1335 Y HN 0.726 nan 8.280 nan 0.000 0.486 1336 S N 1.201 116.983 115.700 0.136 0.000 2.420 1336 S HA -0.161 4.310 4.470 0.002 0.000 0.237 1336 S C 1.430 176.057 174.600 0.045 0.000 1.023 1336 S CA 1.659 59.897 58.200 0.064 0.000 0.991 1336 S CB -0.840 62.375 63.200 0.025 0.000 0.792 1336 S HN 0.552 nan 8.310 nan 0.000 0.488 1337 V N -1.898 118.036 119.914 0.033 0.000 3.623 1337 V HA 0.612 4.733 4.120 0.002 0.000 0.271 1337 V C 0.964 177.087 176.094 0.049 0.000 1.248 1337 V CA -0.049 62.257 62.300 0.011 0.000 1.156 1337 V CB -1.311 30.480 31.823 -0.053 0.000 0.870 1337 V HN 1.075 nan 8.190 nan 0.000 0.453 1338 G N 0.871 109.726 108.800 0.092 0.000 3.055 1338 G HA2 -0.158 3.803 3.960 0.002 0.000 0.685 1338 G HA3 -0.158 3.803 3.960 0.002 0.000 0.685 1338 G C -0.322 174.653 174.900 0.126 0.000 1.212 1338 G CA -0.163 44.987 45.100 0.083 0.000 0.822 1338 G HN 0.186 nan 8.290 nan 0.000 0.610 1339 N N 0.586 119.320 118.700 0.058 0.000 2.571 1339 N HA 0.000 4.741 4.740 0.002 0.000 0.189 1339 N C 1.545 177.046 175.510 -0.015 0.000 1.154 1339 N CA 1.297 54.336 53.050 -0.018 0.000 0.907 1339 N CB 0.198 38.648 38.487 -0.062 0.000 0.977 1339 N HN 0.804 nan 8.380 nan 0.000 0.449 1340 D N -1.421 119.011 120.400 0.053 0.000 2.398 1340 D HA 0.014 4.655 4.640 0.002 0.000 0.210 1340 D C 0.397 176.812 176.300 0.191 0.000 1.094 1340 D CA -0.024 54.032 54.000 0.094 0.000 0.839 1340 D CB 0.336 41.166 40.800 0.051 0.000 0.963 1340 D HN -0.091 nan 8.370 nan 0.000 0.506 1341 R N 0.498 121.095 120.500 0.162 0.000 2.500 1341 R HA 0.622 4.963 4.340 0.002 0.000 0.275 1341 R C 0.522 176.778 176.300 -0.073 0.000 1.051 1341 R CA -0.415 55.746 56.100 0.101 0.000 1.088 1341 R CB 1.362 31.691 30.300 0.047 0.000 1.063 1341 R HN 0.092 nan 8.270 nan 0.000 0.511 1342 G N 1.532 110.030 108.800 -0.503 0.000 2.388 1342 G HA2 0.560 4.521 3.960 0.002 0.000 0.330 1342 G HA3 0.560 4.521 3.960 0.002 0.000 0.330 1342 G C -0.746 173.809 174.900 -0.576 0.000 1.142 1342 G CA -0.619 43.757 45.100 -1.206 0.000 0.908 1342 G HN 0.299 nan 8.290 nan 0.000 0.473 1343 L N 1.456 122.383 121.223 -0.493 0.000 2.333 1343 L HA 0.316 4.657 4.340 0.002 0.000 0.280 1343 L C 0.044 176.706 176.870 -0.347 0.000 1.004 1343 L CA -1.137 53.451 54.840 -0.421 0.000 0.820 1343 L CB 2.041 43.731 42.059 -0.615 0.000 1.247 1343 L HN 0.729 nan 8.230 nan 0.000 0.416 1344 H N 5.129 123.991 119.070 -0.346 0.000 2.815 1344 H HA 0.093 4.650 4.556 0.002 0.000 0.350 1344 H C -1.857 173.192 175.328 -0.465 0.000 1.080 1344 H CA -0.734 55.086 56.048 -0.381 0.000 1.433 1344 H CB 1.266 30.869 29.762 -0.265 0.000 1.432 1344 H HN 0.293 nan 8.280 nan 0.000 0.592 1345 P HA -0.176 nan 4.420 nan 0.000 0.218 1345 P C 0.789 177.785 177.300 -0.506 0.000 1.148 1345 P CA 1.500 63.991 63.100 -1.016 0.000 0.822 1345 P CB -0.060 30.578 31.700 -1.771 0.000 0.784 1346 Y N 0.190 120.300 120.300 -0.317 0.000 2.384 1346 Y HA -0.158 4.393 4.550 0.000 0.000 0.289 1346 Y C 1.350 177.229 175.900 -0.034 0.000 1.152 1346 Y CA 0.639 58.751 58.100 0.020 0.000 1.258 1346 Y CB -0.292 38.281 38.460 0.187 0.000 0.979 1346 Y HN 0.130 nan 8.280 nan 0.000 0.549 1347 E N -0.413 119.813 120.200 0.044 0.000 2.789 1347 E HA 0.176 4.527 4.350 0.002 0.000 0.208 1347 E C 0.688 177.184 176.600 -0.173 0.000 0.988 1347 E CA -0.325 56.043 56.400 -0.053 0.000 1.092 1347 E CB 0.590 30.249 29.700 -0.069 0.000 1.066 1347 E HN 0.234 nan 8.360 nan 0.000 0.465 1348 G N 1.106 109.795 108.800 -0.186 0.000 2.594 1348 G HA2 0.193 4.154 3.960 0.002 0.000 0.243 1348 G HA3 0.193 4.154 3.960 0.002 0.000 0.243 1348 G C -0.313 174.485 174.900 -0.169 0.000 1.229 1348 G CA -0.101 44.855 45.100 -0.240 0.000 0.843 1348 G HN 0.042 nan 8.290 nan 0.000 0.578 1349 Q N -0.996 118.709 119.800 -0.158 0.000 2.359 1349 Q HA 0.498 4.839 4.340 0.002 0.000 0.274 1349 Q C -0.777 175.274 176.000 0.086 0.000 1.074 1349 Q CA -0.685 55.104 55.803 -0.023 0.000 0.810 1349 Q CB 2.500 31.224 28.738 -0.023 0.000 1.342 1349 Q HN 0.571 nan 8.270 nan 0.000 0.427 1350 T N 1.129 115.746 114.554 0.104 0.000 3.141 1350 T HA 0.355 4.705 4.350 0.002 0.000 0.377 1350 T C -1.188 173.665 174.700 0.255 0.000 1.258 1350 T CA -0.688 61.508 62.100 0.160 0.000 1.263 1350 T CB -0.145 68.770 68.868 0.078 0.000 1.066 1350 T HN 0.458 nan 8.240 nan 0.000 0.546 1351 N N 5.019 123.925 118.700 0.342 0.000 2.476 1351 N HA 0.343 5.084 4.740 0.002 0.000 0.257 1351 N C -0.248 175.482 175.510 0.367 0.000 0.970 1351 N CA -0.512 52.713 53.050 0.290 0.000 0.938 1351 N CB 1.898 40.517 38.487 0.221 0.000 1.144 1351 N HN 0.611 nan 8.380 nan 0.000 0.500 1352 L N 1.312 122.713 121.223 0.296 0.000 2.380 1352 L HA 0.283 4.624 4.340 0.002 0.000 0.273 1352 L C 0.559 177.572 176.870 0.239 0.000 1.138 1352 L CA 0.086 55.110 54.840 0.306 0.000 0.832 1352 L CB 0.299 42.497 42.059 0.233 0.000 1.124 1352 L HN 0.439 nan 8.230 nan 0.000 0.454 1353 E N 1.809 122.121 120.200 0.186 0.000 2.874 1353 E HA 0.095 4.446 4.350 0.002 0.000 0.320 1353 E C -0.380 176.207 176.600 -0.021 0.000 1.141 1353 E CA -0.302 56.152 56.400 0.090 0.000 0.774 1353 E CB 0.352 30.084 29.700 0.054 0.000 1.542 1353 E HN 0.450 nan 8.360 nan 0.000 0.380 1354 Y N 2.924 123.112 120.300 -0.186 0.000 2.130 1354 Y HA -0.122 4.430 4.550 0.004 0.000 0.287 1354 Y C 1.267 176.913 175.900 -0.423 0.000 1.124 1354 Y CA 1.899 59.665 58.100 -0.556 0.000 1.118 1354 Y CB 0.427 38.642 38.460 -0.407 0.000 0.994 1354 Y HN 0.403 nan 8.280 nan 0.000 0.497 1355 D N 0.061 120.384 120.400 -0.128 0.000 2.092 1355 D HA -0.176 4.465 4.640 0.002 0.000 0.193 1355 D C 1.964 178.160 176.300 -0.172 0.000 0.994 1355 D CA 1.631 55.533 54.000 -0.163 0.000 0.828 1355 D CB -0.370 40.408 40.800 -0.037 0.000 0.963 1355 D HN 0.349 nan 8.370 nan 0.000 0.450 1356 R N -0.059 120.379 120.500 -0.103 0.000 2.313 1356 R HA 0.138 4.479 4.340 0.002 0.000 0.199 1356 R C 0.949 177.202 176.300 -0.078 0.000 0.958 1356 R CA 0.230 56.286 56.100 -0.073 0.000 1.047 1356 R CB 0.422 30.701 30.300 -0.034 0.000 0.955 1356 R HN -0.084 nan 8.270 nan 0.000 0.481 1357 R N -0.574 119.863 120.500 -0.105 0.000 2.577 1357 R HA 0.196 4.537 4.340 0.002 0.000 0.344 1357 R C 0.572 176.860 176.300 -0.020 0.000 1.037 1357 R CA 0.245 56.322 56.100 -0.039 0.000 1.102 1357 R CB 1.032 31.354 30.300 0.037 0.000 1.313 1357 R HN 0.345 nan 8.270 nan 0.000 0.561 1358 G N 0.060 108.762 108.800 -0.164 0.000 2.141 1358 G HA2 -0.223 3.738 3.960 0.002 0.000 0.231 1358 G HA3 -0.223 3.738 3.960 0.002 0.000 0.231 1358 G C 0.484 175.174 174.900 -0.350 0.000 0.984 1358 G CA -0.151 44.846 45.100 -0.172 0.000 0.660 1358 G HN 0.507 nan 8.290 nan 0.000 0.525 1359 G N -0.474 107.757 108.800 -0.948 0.000 2.406 1359 G HA2 0.575 4.536 3.960 0.002 0.000 0.251 1359 G HA3 0.575 4.536 3.960 0.002 0.000 0.251 1359 G C 0.234 174.452 174.900 -1.137 0.000 1.271 1359 G CA 0.300 44.255 45.100 -1.909 0.000 0.859 1359 G HN 1.005 nan 8.290 nan 0.000 0.540 1360 V N 2.061 121.574 119.914 -0.668 0.000 2.465 1360 V HA 0.516 4.636 4.120 0.002 0.000 0.279 1360 V C 0.971 177.055 176.094 -0.017 0.000 1.045 1360 V CA -0.832 61.263 62.300 -0.342 0.000 0.938 1360 V CB 1.072 32.605 31.823 -0.483 0.000 0.986 1360 V HN 1.026 nan 8.190 nan 0.000 0.467 1361 A N 7.277 130.140 122.820 0.073 0.000 2.524 1361 A HA 0.442 4.763 4.320 0.002 0.000 0.250 1361 A C -2.137 175.606 177.584 0.264 0.000 1.078 1361 A CA -0.717 51.421 52.037 0.169 0.000 0.761 1361 A CB -0.520 18.530 19.000 0.083 0.000 1.012 1361 A HN 0.709 nan 8.150 nan 0.000 0.500 1362 P HA 0.226 nan 4.420 nan 0.000 0.269 1362 P C -2.227 175.128 177.300 0.091 0.000 1.215 1362 P CA -0.595 62.617 63.100 0.187 0.000 0.780 1362 P CB -0.066 31.675 31.700 0.069 0.000 0.898 1363 P HA 0.178 nan 4.420 nan 0.000 0.276 1363 P C -1.433 175.911 177.300 0.073 0.000 1.230 1363 P CA -0.049 63.046 63.100 -0.008 0.000 0.776 1363 P CB 0.220 31.906 31.700 -0.023 0.000 0.888 1364 Y N -0.472 119.846 120.300 0.029 0.000 2.581 1364 Y HA 0.547 5.097 4.550 0.000 0.000 0.345 1364 Y C 0.625 176.544 175.900 0.031 0.000 1.036 1364 Y CA -1.052 57.065 58.100 0.029 0.000 1.042 1364 Y CB 1.596 40.078 38.460 0.037 0.000 1.289 1364 Y HN 0.079 nan 8.280 nan 0.000 0.471 1365 K N 0.402 120.955 120.400 0.255 0.000 2.348 1365 K HA 0.236 4.557 4.320 0.002 0.000 0.194 1365 K C -0.440 176.296 176.600 0.227 0.000 1.052 1365 K CA 0.272 56.659 56.287 0.166 0.000 1.004 1365 K CB 0.711 33.263 32.500 0.087 0.000 0.873 1365 K HN 0.687 nan 8.250 nan 0.000 0.523 1366 Q N 0.870 120.835 119.800 0.275 0.000 2.315 1366 Q HA 0.384 4.725 4.340 0.002 0.000 0.273 1366 Q C -0.405 175.605 176.000 0.016 0.000 1.053 1366 Q CA -0.476 55.401 55.803 0.123 0.000 0.817 1366 Q CB 2.522 31.269 28.738 0.015 0.000 1.326 1366 Q HN 0.038 nan 8.270 nan 0.000 0.423 1367 L N 1.032 122.226 121.223 -0.048 0.000 2.479 1367 L HA 0.109 4.450 4.340 0.002 0.000 0.270 1367 L C 0.579 177.339 176.870 -0.183 0.000 1.236 1367 L CA 0.089 54.828 54.840 -0.170 0.000 0.823 1367 L CB 0.236 42.243 42.059 -0.086 0.000 1.098 1367 L HN 0.536 nan 8.230 nan 0.000 0.500 1368 D N 0.356 120.661 120.400 -0.160 0.000 2.373 1368 D HA 0.189 4.830 4.640 0.002 0.000 0.227 1368 D C 0.395 176.622 176.300 -0.122 0.000 1.091 1368 D CA -0.462 53.454 54.000 -0.140 0.000 0.840 1368 D CB 1.700 42.435 40.800 -0.108 0.000 1.060 1368 D HN 0.260 nan 8.370 nan 0.000 0.502 1369 V N 2.043 121.802 119.914 -0.259 0.000 3.633 1369 V HA 0.068 4.189 4.120 0.002 0.000 0.283 1369 V C 1.470 177.555 176.094 -0.016 0.000 1.305 1369 V CA 0.892 63.001 62.300 -0.319 0.000 1.153 1369 V CB -0.522 30.680 31.823 -1.034 0.000 0.950 1369 V HN 0.463 nan 8.190 nan 0.000 0.432 1370 S N -0.975 114.739 115.700 0.023 0.000 2.496 1370 S HA 0.013 4.484 4.470 0.002 0.000 0.224 1370 S C 0.919 175.635 174.600 0.193 0.000 0.996 1370 S CA 0.932 59.195 58.200 0.106 0.000 0.927 1370 S CB 0.060 63.276 63.200 0.027 0.000 0.774 1370 S HN 0.713 nan 8.310 nan 0.000 0.524 1371 D N 0.715 121.212 120.400 0.162 0.000 3.604 1371 D HA 0.469 5.110 4.640 0.002 0.000 0.181 1371 D C 0.476 176.829 176.300 0.087 0.000 1.161 1371 D CA 0.222 54.254 54.000 0.054 0.000 1.302 1371 D CB 0.065 40.846 40.800 -0.031 0.000 1.058 1371 D HN 0.255 nan 8.370 nan 0.000 0.348 1372 G N -1.034 107.739 108.800 -0.044 0.000 2.442 1372 G HA2 0.369 4.330 3.960 0.002 0.000 0.249 1372 G HA3 0.369 4.330 3.960 0.002 0.000 0.249 1372 G C -0.488 174.210 174.900 -0.337 0.000 1.263 1372 G CA 0.296 45.214 45.100 -0.302 0.000 0.846 1372 G HN 0.588 nan 8.290 nan 0.000 0.555 1373 Y N -0.270 119.494 120.300 -0.894 0.000 2.825 1373 Y HA 0.629 5.180 4.550 0.002 0.000 0.259 1373 Y C 0.118 175.242 175.900 -1.293 0.000 1.113 1373 Y CA -0.388 57.238 58.100 -0.791 0.000 1.241 1373 Y CB 0.271 38.559 38.460 -0.286 0.000 1.331 1373 Y HN 0.649 nan 8.280 nan 0.000 0.570 1374 S N -0.742 113.724 115.700 -2.056 0.000 2.552 1374 S HA 0.234 4.705 4.470 0.002 0.000 0.272 1374 S C -1.370 172.631 174.600 -0.998 0.000 1.150 1374 S CA -0.674 56.805 58.200 -1.202 0.000 0.849 1374 S CB 0.195 63.050 63.200 -0.576 0.000 1.113 1374 S HN 0.421 nan 8.310 nan 0.000 0.458 1375 W N 2.436 123.656 121.300 -0.135 0.000 3.256 1375 W HA 0.374 5.040 4.660 0.010 0.000 0.269 1375 W C 0.364 176.971 176.519 0.146 0.000 1.310 1375 W CA -0.404 57.011 57.345 0.118 0.000 1.673 1375 W CB 0.325 29.928 29.460 0.238 0.000 1.115 1375 W HN 0.262 nan 8.180 nan 0.000 0.686 1376 L N 1.794 123.123 121.223 0.176 0.000 2.349 1376 L HA 0.221 4.562 4.340 0.002 0.000 0.275 1376 L C 0.684 177.566 176.870 0.021 0.000 1.115 1376 L CA -0.364 54.524 54.840 0.081 0.000 0.820 1376 L CB 0.561 42.601 42.059 -0.032 0.000 1.135 1376 L HN -0.164 nan 8.230 nan 0.000 0.445 1377 K N 1.696 122.075 120.400 -0.035 0.000 2.180 1377 K HA 0.419 4.740 4.320 0.002 0.000 0.251 1377 K C -0.058 176.450 176.600 -0.153 0.000 1.014 1377 K CA -0.406 55.794 56.287 -0.145 0.000 0.913 1377 K CB 0.711 33.064 32.500 -0.245 0.000 1.008 1377 K HN 0.706 nan 8.250 nan 0.000 0.490 1378 A N 3.280 126.023 122.820 -0.127 0.000 2.394 1378 A HA 0.367 4.688 4.320 0.002 0.000 0.333 1378 A C -2.465 175.057 177.584 -0.104 0.000 1.397 1378 A CA -1.747 50.228 52.037 -0.105 0.000 0.884 1378 A CB 0.214 19.186 19.000 -0.048 0.000 1.147 1378 A HN 0.321 nan 8.150 nan 0.000 0.505 1379 P HA 0.418 nan 4.420 nan 0.000 0.275 1379 P C -0.488 176.665 177.300 -0.246 0.000 1.227 1379 P CA -0.183 62.572 63.100 -0.575 0.000 0.781 1379 P CB 0.820 31.545 31.700 -1.625 0.000 0.906 1380 R N 1.504 122.019 120.500 0.025 0.000 2.795 1380 R HA 0.413 4.754 4.340 0.002 0.000 0.275 1380 R C -1.550 175.085 176.300 0.559 0.000 0.981 1380 R CA -0.534 55.773 56.100 0.345 0.000 0.917 1380 R CB 1.823 32.286 30.300 0.272 0.000 1.202 1380 R HN 0.588 nan 8.270 nan 0.000 0.469 1381 W N 3.559 125.125 121.300 0.443 0.000 2.362 1381 W HA 0.294 4.954 4.660 0.001 0.000 0.316 1381 W C -0.183 176.461 176.519 0.209 0.000 1.024 1381 W CA -0.541 57.027 57.345 0.371 0.000 1.270 1381 W CB 0.691 30.334 29.460 0.305 0.000 1.273 1381 W HN 0.667 nan 8.180 nan 0.000 0.424 1382 K N 4.937 125.137 120.400 -0.333 0.000 3.156 1382 K HA -0.235 4.086 4.320 0.002 0.000 0.266 1382 K C 1.052 177.598 176.600 -0.090 0.000 0.966 1382 K CA 1.170 57.245 56.287 -0.354 0.000 0.719 1382 K CB -1.451 30.599 32.500 -0.751 0.000 1.333 1382 K HN 1.208 nan 8.250 nan 0.000 0.468 1383 G N -0.534 108.294 108.800 0.046 0.000 2.205 1383 G HA2 -0.365 3.596 3.960 0.002 0.000 0.261 1383 G HA3 -0.365 3.596 3.960 0.002 0.000 0.261 1383 G C 0.101 175.030 174.900 0.048 0.000 0.980 1383 G CA 0.688 45.809 45.100 0.035 0.000 0.632 1383 G HN 0.342 nan 8.290 nan 0.000 0.533 1384 R N 1.063 121.652 120.500 0.149 0.000 2.410 1384 R HA 0.624 4.965 4.340 0.002 0.000 0.288 1384 R C 0.460 176.886 176.300 0.210 0.000 1.051 1384 R CA 0.100 56.305 56.100 0.174 0.000 1.021 1384 R CB 1.039 31.496 30.300 0.262 0.000 1.032 1384 R HN 0.193 nan 8.270 nan 0.000 0.481 1385 S N 1.317 117.089 115.700 0.120 0.000 2.548 1385 S HA 0.404 4.875 4.470 0.002 0.000 0.277 1385 S C -0.230 174.434 174.600 0.107 0.000 1.315 1385 S CA -0.773 57.506 58.200 0.131 0.000 1.050 1385 S CB 0.818 64.046 63.200 0.047 0.000 0.918 1385 S HN 0.433 nan 8.310 nan 0.000 0.497 1386 V N 0.645 120.644 119.914 0.142 0.000 3.078 1386 V HA 0.701 4.822 4.120 0.002 0.000 0.311 1386 V C -0.713 175.352 176.094 -0.048 0.000 1.138 1386 V CA -1.106 61.172 62.300 -0.038 0.000 1.007 1386 V CB 1.903 33.658 31.823 -0.113 0.000 1.045 1386 V HN 0.855 nan 8.190 nan 0.000 0.432 1387 E N 1.383 121.464 120.200 -0.198 0.000 2.204 1387 E HA 0.695 5.046 4.350 0.002 0.000 0.276 1387 E C -0.672 175.935 176.600 0.012 0.000 0.974 1387 E CA -0.748 55.650 56.400 -0.003 0.000 0.815 1387 E CB 2.066 31.802 29.700 0.061 0.000 1.119 1387 E HN 1.088 nan 8.360 nan 0.000 0.393 1388 V N 0.821 120.761 119.914 0.043 0.000 3.103 1388 V HA 1.009 5.130 4.120 0.002 0.000 0.318 1388 V C 0.432 176.558 176.094 0.054 0.000 1.114 1388 V CA 0.237 62.498 62.300 -0.066 0.000 1.020 1388 V CB 0.896 32.557 31.823 -0.270 0.000 1.085 1388 V HN 1.032 nan 8.190 nan 0.000 0.446 1389 G N 1.527 110.309 108.800 -0.029 0.000 2.362 1389 G HA2 0.025 3.986 3.960 0.002 0.000 0.517 1389 G HA3 0.025 3.986 3.960 0.002 0.000 0.517 1389 G C -2.607 172.260 174.900 -0.054 0.000 1.256 1389 G CA -0.043 45.053 45.100 -0.008 0.000 1.027 1389 G HN 0.624 nan 8.290 nan 0.000 0.491 1390 P HA 0.005 nan 4.420 nan 0.000 0.216 1390 P C 2.242 179.465 177.300 -0.129 0.000 1.150 1390 P CA 1.320 64.367 63.100 -0.088 0.000 0.837 1390 P CB 0.083 31.717 31.700 -0.110 0.000 0.786 1391 L N -0.481 120.670 121.223 -0.120 0.000 2.093 1391 L HA -0.054 4.287 4.340 0.002 0.000 0.208 1391 L C 2.151 178.840 176.870 -0.301 0.000 1.085 1391 L CA 1.842 56.560 54.840 -0.203 0.000 0.755 1391 L CB -1.492 40.475 42.059 -0.153 0.000 0.904 1391 L HN -0.129 nan 8.230 nan 0.000 0.435 1392 A N -0.291 122.454 122.820 -0.124 0.000 1.873 1392 A HA -0.195 4.126 4.320 0.002 0.000 0.215 1392 A C 2.419 179.905 177.584 -0.165 0.000 1.186 1392 A CA 1.701 53.678 52.037 -0.100 0.000 0.616 1392 A CB -0.508 18.552 19.000 0.100 0.000 0.823 1392 A HN 0.483 nan 8.150 nan 0.000 0.442 1393 R N -0.767 119.619 120.500 -0.189 0.000 2.081 1393 R HA -0.069 4.272 4.340 0.002 0.000 0.235 1393 R C 2.008 178.227 176.300 -0.134 0.000 1.131 1393 R CA 1.403 57.367 56.100 -0.226 0.000 0.960 1393 R CB -0.532 29.464 30.300 -0.507 0.000 0.856 1393 R HN 0.382 nan 8.270 nan 0.000 0.436 1394 V N 1.468 121.293 119.914 -0.149 0.000 2.358 1394 V HA -0.197 3.924 4.120 0.002 0.000 0.246 1394 V C 2.235 178.268 176.094 -0.102 0.000 1.047 1394 V CA 1.538 63.776 62.300 -0.103 0.000 1.035 1394 V CB -0.343 31.400 31.823 -0.133 0.000 0.658 1394 V HN 0.254 nan 8.190 nan 0.000 0.452 1395 L N -1.336 119.756 121.223 -0.218 0.000 2.079 1395 L HA -0.242 4.099 4.340 0.002 0.000 0.210 1395 L C 2.464 179.320 176.870 -0.023 0.000 1.081 1395 L CA 1.713 56.440 54.840 -0.188 0.000 0.752 1395 L CB -0.546 41.277 42.059 -0.394 0.000 0.896 1395 L HN 0.329 nan 8.230 nan 0.000 0.433 1396 M N -0.418 119.162 119.600 -0.034 0.000 2.132 1396 M HA -0.130 4.350 4.480 0.002 0.000 0.263 1396 M C 2.103 178.446 176.300 0.072 0.000 1.065 1396 M CA 1.740 57.057 55.300 0.029 0.000 1.122 1396 M CB -0.255 32.357 32.600 0.021 0.000 1.365 1396 M HN 0.058 nan 8.290 nan 0.000 0.411 1397 L N -1.898 119.368 121.223 0.073 0.000 2.012 1397 L HA -0.269 4.072 4.340 0.002 0.000 0.210 1397 L C 2.375 179.322 176.870 0.129 0.000 1.073 1397 L CA 1.719 56.614 54.840 0.091 0.000 0.748 1397 L CB -1.011 41.060 42.059 0.019 0.000 0.891 1397 L HN 0.303 nan 8.230 nan 0.000 0.431 1398 Y N 0.425 120.727 120.300 0.003 0.000 2.114 1398 Y HA -0.360 4.191 4.550 0.001 0.000 0.282 1398 Y C 2.492 178.400 175.900 0.014 0.000 1.165 1398 Y CA 1.780 59.881 58.100 0.001 0.000 1.148 1398 Y CB -0.147 38.285 38.460 -0.047 0.000 0.972 1398 Y HN 0.148 nan 8.280 nan 0.000 0.504 1399 A N -1.158 121.748 122.820 0.143 0.000 2.014 1399 A HA -0.121 4.200 4.320 0.002 0.000 0.218 1399 A C 1.983 179.579 177.584 0.021 0.000 1.163 1399 A CA 1.726 53.812 52.037 0.081 0.000 0.652 1399 A CB -1.145 17.921 19.000 0.108 0.000 0.808 1399 A HN 0.544 nan 8.150 nan 0.000 0.449 1400 T N -4.263 110.312 114.554 0.035 0.000 3.188 1400 T HA 0.414 4.765 4.350 0.002 0.000 0.250 1400 T C 1.200 175.911 174.700 0.017 0.000 1.077 1400 T CA 0.906 63.026 62.100 0.034 0.000 0.967 1400 T CB -0.110 68.799 68.868 0.068 0.000 1.006 1400 T HN 1.608 nan 8.240 nan 0.000 0.552 1401 G N 1.425 110.206 108.800 -0.032 0.000 2.147 1401 G HA2 -0.290 3.671 3.960 0.002 0.000 0.244 1401 G HA3 -0.290 3.671 3.960 0.002 0.000 0.244 1401 G C -0.109 174.782 174.900 -0.015 0.000 1.005 1401 G CA 0.136 45.200 45.100 -0.060 0.000 0.713 1401 G HN 0.956 nan 8.290 nan 0.000 0.515 1402 H N 0.791 119.831 119.070 -0.051 0.000 3.026 1402 H HA 0.368 4.925 4.556 0.002 0.000 0.289 1402 H C 1.424 176.722 175.328 -0.049 0.000 1.022 1402 H CA 0.504 56.534 56.048 -0.029 0.000 1.477 1402 H CB 0.559 30.328 29.762 0.010 0.000 1.510 1402 H HN 0.142 nan 8.280 nan 0.000 0.535 1403 D N 3.306 123.525 120.400 -0.303 0.000 2.097 1403 D HA -0.207 4.434 4.640 0.002 0.000 0.195 1403 D C 1.871 178.100 176.300 -0.117 0.000 0.989 1403 D CA 1.282 55.168 54.000 -0.189 0.000 0.827 1403 D CB -0.091 40.591 40.800 -0.197 0.000 0.966 1403 D HN 0.787 nan 8.370 nan 0.000 0.456 1404 Q N 0.219 119.911 119.800 -0.181 0.000 2.050 1404 Q HA -0.143 4.198 4.340 0.002 0.000 0.202 1404 Q C 2.020 178.109 176.000 0.147 0.000 0.980 1404 Q CA 1.657 57.464 55.803 0.006 0.000 0.840 1404 Q CB -0.070 28.697 28.738 0.049 0.000 0.898 1404 Q HN 0.206 nan 8.270 nan 0.000 0.424 1405 A N 1.071 124.116 122.820 0.375 0.000 1.902 1405 A HA -0.179 4.142 4.320 0.002 0.000 0.217 1405 A C 2.069 179.773 177.584 0.201 0.000 1.181 1405 A CA 1.261 53.446 52.037 0.248 0.000 0.623 1405 A CB -0.483 18.654 19.000 0.228 0.000 0.818 1405 A HN 0.329 nan 8.150 nan 0.000 0.443 1406 R N -0.263 120.318 120.500 0.135 0.000 2.083 1406 R HA -0.185 4.156 4.340 0.002 0.000 0.237 1406 R C 2.067 178.428 176.300 0.101 0.000 1.137 1406 R CA 1.837 57.979 56.100 0.069 0.000 0.951 1406 R CB -0.516 29.699 30.300 -0.141 0.000 0.851 1406 R HN 0.707 nan 8.270 nan 0.000 0.434 1407 E N 0.378 120.604 120.200 0.042 0.000 2.077 1407 E HA -0.177 4.174 4.350 0.002 0.000 0.193 1407 E C 1.960 178.577 176.600 0.028 0.000 0.989 1407 E CA 0.863 57.277 56.400 0.023 0.000 0.800 1407 E CB -0.037 29.661 29.700 -0.004 0.000 0.746 1407 E HN 0.047 nan 8.360 nan 0.000 0.452 1408 L N 0.267 121.511 121.223 0.036 0.000 2.027 1408 L HA -0.128 4.213 4.340 0.002 0.000 0.206 1408 L C 2.276 179.142 176.870 -0.008 0.000 1.074 1408 L CA 1.277 56.119 54.840 0.003 0.000 0.745 1408 L CB -0.760 41.302 42.059 0.006 0.000 0.898 1408 L HN 0.056 nan 8.230 nan 0.000 0.433 1409 V N -0.262 119.671 119.914 0.032 0.000 2.307 1409 V HA -0.263 3.858 4.120 0.002 0.000 0.245 1409 V C 2.245 178.327 176.094 -0.019 0.000 1.045 1409 V CA 1.697 63.982 62.300 -0.024 0.000 1.024 1409 V CB -0.510 31.284 31.823 -0.050 0.000 0.651 1409 V HN 0.374 nan 8.190 nan 0.000 0.449 1410 D N 0.554 120.994 120.400 0.067 0.000 2.104 1410 D HA -0.141 4.500 4.640 0.002 0.000 0.194 1410 D C 2.430 178.728 176.300 -0.003 0.000 0.994 1410 D CA 1.941 55.968 54.000 0.046 0.000 0.830 1410 D CB -0.376 40.474 40.800 0.084 0.000 0.959 1410 D HN 0.596 nan 8.370 nan 0.000 0.452 1411 S N -0.513 115.181 115.700 -0.011 0.000 2.428 1411 S HA -0.089 4.382 4.470 0.002 0.000 0.230 1411 S C 2.002 176.572 174.600 -0.050 0.000 1.014 1411 S CA 1.223 59.406 58.200 -0.029 0.000 0.957 1411 S CB -0.487 62.694 63.200 -0.031 0.000 0.784 1411 S HN 0.105 nan 8.310 nan 0.000 0.499 1412 T N 3.235 117.751 114.554 -0.063 0.000 2.701 1412 T HA 0.141 4.492 4.350 0.002 0.000 0.263 1412 T C 1.733 176.383 174.700 -0.083 0.000 1.040 1412 T CA 1.426 63.474 62.100 -0.087 0.000 1.147 1412 T CB -0.543 68.259 68.868 -0.110 0.000 0.865 1412 T HN 0.302 nan 8.240 nan 0.000 0.426 1413 L N 1.223 122.397 121.223 -0.082 0.000 2.083 1413 L HA -0.104 4.237 4.340 0.002 0.000 0.209 1413 L C 2.883 179.719 176.870 -0.057 0.000 1.083 1413 L CA 1.299 56.093 54.840 -0.077 0.000 0.752 1413 L CB -0.617 41.392 42.059 -0.083 0.000 0.899 1413 L HN 0.340 nan 8.230 nan 0.000 0.433 1414 S N -0.112 115.560 115.700 -0.046 0.000 2.371 1414 S HA -0.190 4.281 4.470 0.002 0.000 0.224 1414 S C 2.239 176.812 174.600 -0.046 0.000 1.029 1414 S CA 0.761 58.938 58.200 -0.038 0.000 0.978 1414 S CB -0.177 63.007 63.200 -0.027 0.000 0.833 1414 S HN 0.314 nan 8.310 nan 0.000 0.466 1415 R N 0.524 120.992 120.500 -0.055 0.000 2.092 1415 R HA 0.075 4.416 4.340 0.002 0.000 0.231 1415 R C 2.011 178.267 176.300 -0.073 0.000 1.119 1415 R CA 1.390 57.452 56.100 -0.063 0.000 0.970 1415 R CB -0.501 29.759 30.300 -0.068 0.000 0.864 1415 R HN 0.507 nan 8.270 nan 0.000 0.440 1416 L N 0.915 122.093 121.223 -0.076 0.000 2.622 1416 L HA -0.041 4.300 4.340 0.002 0.000 0.233 1416 L C 0.195 177.026 176.870 -0.064 0.000 1.156 1416 L CA 0.321 55.115 54.840 -0.078 0.000 0.866 1416 L CB -0.476 41.538 42.059 -0.074 0.000 0.980 1416 L HN 0.217 nan 8.230 nan 0.000 0.448 1417 D N 1.090 121.456 120.400 -0.056 0.000 2.704 1417 D HA -0.219 4.422 4.640 0.002 0.000 0.232 1417 D C -0.567 175.711 176.300 -0.037 0.000 1.183 1417 D CA 0.748 54.722 54.000 -0.044 0.000 0.647 1417 D CB -0.815 39.958 40.800 -0.045 0.000 1.013 1417 D HN 0.185 nan 8.370 nan 0.000 0.415 1418 L N 0.237 121.437 121.223 -0.039 0.000 2.341 1418 L HA 0.685 5.026 4.340 0.002 0.000 0.267 1418 L C -1.755 175.096 176.870 -0.032 0.000 1.009 1418 L CA -1.824 52.997 54.840 -0.032 0.000 0.819 1418 L CB 2.082 44.118 42.059 -0.038 0.000 1.323 1418 L HN -0.038 nan 8.230 nan 0.000 0.425 1419 P HA 0.187 nan 4.420 nan 0.000 0.281 1419 P C 0.711 177.995 177.300 -0.028 0.000 1.281 1419 P CA -0.529 62.563 63.100 -0.014 0.000 0.811 1419 P CB 1.393 33.096 31.700 0.005 0.000 1.154 1420 V N -0.254 119.645 119.914 -0.025 0.000 2.332 1420 V HA -0.235 3.886 4.120 0.002 0.000 0.248 1420 V C 2.352 178.438 176.094 -0.014 0.000 1.055 1420 V CA 2.332 64.591 62.300 -0.068 0.000 1.038 1420 V CB -1.432 30.369 31.823 -0.037 0.000 0.651 1420 V HN 0.645 nan 8.190 nan 0.000 0.450 1421 D N 0.832 121.286 120.400 0.090 0.000 2.218 1421 D HA -0.265 4.376 4.640 0.002 0.000 0.194 1421 D C 2.049 178.448 176.300 0.165 0.000 1.007 1421 D CA 1.959 56.073 54.000 0.190 0.000 0.879 1421 D CB -0.035 40.827 40.800 0.103 0.000 0.918 1421 D HN 0.470 nan 8.370 nan 0.000 0.449 1422 A N -0.028 122.816 122.820 0.040 0.000 2.121 1422 A HA -0.044 4.277 4.320 0.002 0.000 0.218 1422 A C 2.547 180.097 177.584 -0.057 0.000 1.154 1422 A CA 0.484 52.526 52.037 0.010 0.000 0.679 1422 A CB -0.557 18.435 19.000 -0.013 0.000 0.795 1422 A HN 0.373 nan 8.150 nan 0.000 0.458 1423 L N -1.884 119.222 121.223 -0.194 0.000 2.127 1423 L HA -0.170 4.171 4.340 0.002 0.000 0.211 1423 L C 0.486 177.150 176.870 -0.344 0.000 1.089 1423 L CA 0.695 55.310 54.840 -0.374 0.000 0.757 1423 L CB -0.532 41.124 42.059 -0.670 0.000 0.899 1423 L HN 0.475 nan 8.230 nan 0.000 0.434 1424 Y N 0.693 120.984 120.300 -0.015 0.000 2.636 1424 Y HA 0.247 4.798 4.550 0.001 0.000 0.334 1424 Y C 0.560 176.508 175.900 0.081 0.000 1.286 1424 Y CA -0.444 57.694 58.100 0.063 0.000 1.688 1424 Y CB -0.058 38.462 38.460 0.100 0.000 1.662 1424 Y HN 0.074 nan 8.280 nan 0.000 0.465 1425 S N -2.022 113.772 115.700 0.157 0.000 2.611 1425 S HA 0.175 4.646 4.470 0.002 0.000 0.270 1425 S C 0.468 175.152 174.600 0.139 0.000 1.131 1425 S CA -0.753 57.542 58.200 0.158 0.000 0.826 1425 S CB 1.053 64.335 63.200 0.136 0.000 1.095 1425 S HN 0.202 nan 8.310 nan 0.000 0.461 1426 T N 1.495 116.193 114.554 0.239 0.000 2.685 1426 T HA -0.121 4.230 4.350 0.002 0.000 0.268 1426 T C 1.634 176.475 174.700 0.235 0.000 1.034 1426 T CA 1.790 64.064 62.100 0.291 0.000 1.149 1426 T CB -0.524 68.696 68.868 0.588 0.000 0.860 1426 T HN 0.520 nan 8.240 nan 0.000 0.449 1427 L N 0.494 121.852 121.223 0.225 0.000 2.056 1427 L HA -0.026 4.315 4.340 0.002 0.000 0.207 1427 L C 2.760 179.620 176.870 -0.017 0.000 1.078 1427 L CA 1.856 56.741 54.840 0.074 0.000 0.749 1427 L CB -1.114 41.007 42.059 0.102 0.000 0.901 1427 L HN 0.414 nan 8.230 nan 0.000 0.433 1428 G N -0.746 108.040 108.800 -0.022 0.000 2.422 1428 G HA2 -0.280 3.681 3.960 0.002 0.000 0.218 1428 G HA3 -0.280 3.681 3.960 0.002 0.000 0.218 1428 G C 1.746 176.571 174.900 -0.126 0.000 1.140 1428 G CA 0.547 45.582 45.100 -0.109 0.000 0.775 1428 G HN 0.312 nan 8.290 nan 0.000 0.545 1429 R N -0.174 120.274 120.500 -0.086 0.000 2.073 1429 R HA -0.042 4.299 4.340 0.002 0.000 0.229 1429 R C 2.558 178.815 176.300 -0.071 0.000 1.120 1429 R CA 1.727 57.758 56.100 -0.114 0.000 0.967 1429 R CB -0.378 29.812 30.300 -0.184 0.000 0.862 1429 R HN 0.306 nan 8.270 nan 0.000 0.436 1430 T N 0.560 115.116 114.554 0.004 0.000 2.777 1430 T HA -0.064 4.287 4.350 0.002 0.000 0.266 1430 T C 1.822 176.478 174.700 -0.073 0.000 1.040 1430 T CA 1.243 63.383 62.100 0.066 0.000 1.141 1430 T CB -0.235 68.695 68.868 0.104 0.000 0.868 1430 T HN 0.416 nan 8.240 nan 0.000 0.444 1431 A N 1.610 124.348 122.820 -0.137 0.000 1.902 1431 A HA 0.183 4.504 4.320 0.002 0.000 0.217 1431 A C 2.678 180.146 177.584 -0.195 0.000 1.181 1431 A CA 1.771 53.689 52.037 -0.198 0.000 0.623 1431 A CB -1.176 17.713 19.000 -0.184 0.000 0.818 1431 A HN 0.497 nan 8.150 nan 0.000 0.443 1432 A N -0.202 122.517 122.820 -0.168 0.000 1.940 1432 A HA -0.212 4.109 4.320 0.002 0.000 0.219 1432 A C 2.229 179.731 177.584 -0.137 0.000 1.176 1432 A CA 1.926 53.869 52.037 -0.158 0.000 0.631 1432 A CB -0.525 18.371 19.000 -0.174 0.000 0.814 1432 A HN 0.591 nan 8.150 nan 0.000 0.446 1433 R N -0.386 120.019 120.500 -0.158 0.000 2.083 1433 R HA -0.116 4.225 4.340 0.002 0.000 0.237 1433 R C 2.287 178.512 176.300 -0.125 0.000 1.137 1433 R CA 1.603 57.560 56.100 -0.237 0.000 0.951 1433 R CB -0.442 29.699 30.300 -0.266 0.000 0.851 1433 R HN 0.431 nan 8.270 nan 0.000 0.434 1434 A N 0.970 123.652 122.820 -0.231 0.000 1.902 1434 A HA -0.110 4.211 4.320 0.002 0.000 0.217 1434 A C 2.212 179.603 177.584 -0.322 0.000 1.181 1434 A CA 1.235 52.927 52.037 -0.575 0.000 0.623 1434 A CB -0.533 17.917 19.000 -0.916 0.000 0.818 1434 A HN 0.358 nan 8.150 nan 0.000 0.443 1435 L N -0.165 120.929 121.223 -0.215 0.000 2.093 1435 L HA -0.206 4.135 4.340 0.002 0.000 0.208 1435 L C 2.722 179.578 176.870 -0.022 0.000 1.085 1435 L CA 1.772 56.535 54.840 -0.127 0.000 0.755 1435 L CB -0.677 41.315 42.059 -0.111 0.000 0.904 1435 L HN 0.746 nan 8.230 nan 0.000 0.435 1436 E N -0.331 119.896 120.200 0.046 0.000 2.208 1436 E HA -0.144 4.207 4.350 0.002 0.000 0.193 1436 E C 2.000 178.734 176.600 0.223 0.000 0.988 1436 E CA 1.260 57.761 56.400 0.168 0.000 0.828 1436 E CB -0.153 29.696 29.700 0.248 0.000 0.763 1436 E HN 0.279 nan 8.360 nan 0.000 0.478 1437 S N 1.172 117.028 115.700 0.260 0.000 2.368 1437 S HA -0.185 4.286 4.470 0.002 0.000 0.225 1437 S C 1.787 176.466 174.600 0.132 0.000 1.030 1437 S CA 1.633 60.005 58.200 0.286 0.000 0.999 1437 S CB -0.226 63.218 63.200 0.406 0.000 0.844 1437 S HN 0.209 nan 8.310 nan 0.000 0.459 1438 K N 1.995 122.419 120.400 0.040 0.000 2.026 1438 K HA 0.056 4.377 4.320 0.002 0.000 0.208 1438 K C 1.724 178.327 176.600 0.005 0.000 1.048 1438 K CA 1.332 57.617 56.287 -0.003 0.000 0.929 1438 K CB -0.774 31.694 32.500 -0.053 0.000 0.713 1438 K HN 0.376 nan 8.250 nan 0.000 0.439 1439 I N 0.386 120.967 120.570 0.017 0.000 2.208 1439 I HA -0.287 3.884 4.170 0.002 0.000 0.245 1439 I C 2.222 178.301 176.117 -0.063 0.000 1.097 1439 I CA 1.217 62.514 61.300 -0.005 0.000 1.363 1439 I CB -0.216 37.784 38.000 0.000 0.000 1.051 1439 I HN 0.122 nan 8.210 nan 0.000 0.413 1440 L N -0.426 120.779 121.223 -0.030 0.000 2.109 1440 L HA -0.155 4.186 4.340 0.002 0.000 0.207 1440 L C 2.522 179.351 176.870 -0.068 0.000 1.086 1440 L CA 0.735 55.532 54.840 -0.072 0.000 0.760 1440 L CB -0.316 41.734 42.059 -0.015 0.000 0.910 1440 L HN 0.091 nan 8.230 nan 0.000 0.437 1441 V N -0.232 119.679 119.914 -0.005 0.000 2.548 1441 V HA -0.253 3.868 4.120 0.002 0.000 0.249 1441 V C 1.901 177.963 176.094 -0.054 0.000 1.055 1441 V CA 1.848 64.152 62.300 0.007 0.000 1.065 1441 V CB -0.224 31.640 31.823 0.067 0.000 0.681 1441 V HN 0.441 nan 8.190 nan 0.000 0.462 1442 D N 0.633 120.986 120.400 -0.078 0.000 2.144 1442 D HA -0.101 4.540 4.640 0.002 0.000 0.199 1442 D C 2.137 178.304 176.300 -0.221 0.000 0.984 1442 D CA 1.587 55.520 54.000 -0.112 0.000 0.834 1442 D CB -0.304 40.443 40.800 -0.089 0.000 0.955 1442 D HN 0.524 nan 8.370 nan 0.000 0.465 1443 A N 0.514 123.128 122.820 -0.344 0.000 2.066 1443 A HA -0.101 4.220 4.320 0.002 0.000 0.218 1443 A C 2.092 179.097 177.584 -0.966 0.000 1.157 1443 A CA 0.760 52.371 52.037 -0.709 0.000 0.670 1443 A CB -0.337 18.138 19.000 -0.874 0.000 0.804 1443 A HN 0.073 nan 8.150 nan 0.000 0.453 1444 M N -0.912 118.394 119.600 -0.490 0.000 2.082 1444 M HA -0.222 4.259 4.480 0.002 0.000 0.258 1444 M C 2.276 178.560 176.300 -0.026 0.000 1.069 1444 M CA 2.053 57.275 55.300 -0.131 0.000 1.102 1444 M CB -1.179 31.443 32.600 0.036 0.000 1.336 1444 M HN 0.561 nan 8.290 nan 0.000 0.404 1445 Q N 0.064 119.823 119.800 -0.068 0.000 2.084 1445 Q HA -0.073 4.268 4.340 0.002 0.000 0.202 1445 Q C 2.001 178.029 176.000 0.047 0.000 0.978 1445 Q CA 2.188 58.011 55.803 0.034 0.000 0.844 1445 Q CB -0.830 27.904 28.738 -0.006 0.000 0.898 1445 Q HN 0.562 nan 8.270 nan 0.000 0.426 1446 G N -0.634 108.083 108.800 -0.138 0.000 2.418 1446 G HA2 -0.228 3.733 3.960 0.002 0.000 0.217 1446 G HA3 -0.228 3.733 3.960 0.002 0.000 0.217 1446 G C 0.897 175.800 174.900 0.004 0.000 1.158 1446 G CA 0.846 45.867 45.100 -0.131 0.000 0.771 1446 G HN 0.382 nan 8.290 nan 0.000 0.545 1447 W N -0.488 120.866 121.300 0.089 0.000 2.418 1447 W HA 0.104 4.765 4.660 0.003 0.000 0.292 1447 W C 2.137 178.721 176.519 0.108 0.000 1.213 1447 W CA 0.300 57.689 57.345 0.074 0.000 1.283 1447 W CB -1.244 28.251 29.460 0.059 0.000 1.119 1447 W HN 0.326 nan 8.180 nan 0.000 0.542 1448 Y N 2.314 122.779 120.300 0.273 0.000 2.114 1448 Y HA -0.274 4.277 4.550 0.001 0.000 0.284 1448 Y C 2.096 178.086 175.900 0.149 0.000 1.143 1448 Y CA 2.403 60.635 58.100 0.221 0.000 1.135 1448 Y CB -0.590 38.002 38.460 0.219 0.000 0.980 1448 Y HN -0.241 nan 8.280 nan 0.000 0.499 1449 D N -0.338 120.173 120.400 0.185 0.000 2.149 1449 D HA -0.161 4.480 4.640 0.002 0.000 0.198 1449 D C 2.301 178.599 176.300 -0.002 0.000 0.990 1449 D CA 1.508 55.551 54.000 0.072 0.000 0.839 1449 D CB -0.841 40.023 40.800 0.107 0.000 0.948 1449 D HN 0.569 nan 8.370 nan 0.000 0.460 1450 G N 0.650 109.476 108.800 0.044 0.000 2.408 1450 G HA2 -0.183 3.778 3.960 0.002 0.000 0.217 1450 G HA3 -0.183 3.778 3.960 0.002 0.000 0.217 1450 G C 1.606 176.505 174.900 -0.002 0.000 1.150 1450 G CA 0.481 45.607 45.100 0.043 0.000 0.776 1450 G HN 0.257 nan 8.290 nan 0.000 0.542 1451 L N 0.770 121.973 121.223 -0.033 0.000 2.027 1451 L HA 0.036 4.377 4.340 0.002 0.000 0.206 1451 L C 2.491 179.292 176.870 -0.114 0.000 1.074 1451 L CA 1.371 56.170 54.840 -0.068 0.000 0.745 1451 L CB -0.318 41.692 42.059 -0.081 0.000 0.898 1451 L HN 0.073 nan 8.230 nan 0.000 0.433 1452 I N 0.255 120.695 120.570 -0.216 0.000 2.286 1452 I HA -0.212 3.959 4.170 0.002 0.000 0.248 1452 I C 2.663 178.734 176.117 -0.077 0.000 1.115 1452 I CA 1.432 62.626 61.300 -0.177 0.000 1.392 1452 I CB -1.950 35.915 38.000 -0.225 0.000 1.065 1452 I HN 0.389 nan 8.210 nan 0.000 0.418 1453 A N 0.554 123.342 122.820 -0.053 0.000 1.930 1453 A HA -0.211 4.110 4.320 0.002 0.000 0.217 1453 A C 2.230 179.805 177.584 -0.015 0.000 1.175 1453 A CA 1.656 53.680 52.037 -0.020 0.000 0.627 1453 A CB -0.888 18.110 19.000 -0.004 0.000 0.815 1453 A HN 0.515 nan 8.150 nan 0.000 0.443 1454 N N 0.094 118.784 118.700 -0.017 0.000 2.106 1454 N HA -0.133 4.608 4.740 0.002 0.000 0.188 1454 N C 1.719 177.222 175.510 -0.012 0.000 1.029 1454 N CA 1.653 54.697 53.050 -0.010 0.000 0.848 1454 N CB -0.061 38.423 38.487 -0.006 0.000 1.007 1454 N HN 0.222 nan 8.380 nan 0.000 0.423 1455 V N 1.772 121.675 119.914 -0.020 0.000 2.287 1455 V HA -0.225 3.896 4.120 0.002 0.000 0.248 1455 V C 2.509 178.596 176.094 -0.011 0.000 1.053 1455 V CA 1.700 63.991 62.300 -0.015 0.000 1.027 1455 V CB -0.563 31.247 31.823 -0.022 0.000 0.646 1455 V HN 0.380 nan 8.190 nan 0.000 0.447 1456 K N 0.618 121.009 120.400 -0.014 0.000 2.147 1456 K HA -0.178 4.143 4.320 0.002 0.000 0.205 1456 K C 2.225 178.823 176.600 -0.004 0.000 1.049 1456 K CA 1.662 57.944 56.287 -0.008 0.000 0.936 1456 K CB -0.220 32.276 32.500 -0.007 0.000 0.722 1456 K HN 0.617 nan 8.250 nan 0.000 0.446 1457 S N -1.244 114.454 115.700 -0.004 0.000 2.515 1457 S HA 0.045 4.516 4.470 0.002 0.000 0.231 1457 S C 1.286 175.885 174.600 -0.001 0.000 0.987 1457 S CA 0.839 59.038 58.200 -0.001 0.000 0.936 1457 S CB 0.128 63.328 63.200 -0.000 0.000 0.766 1457 S HN 0.563 nan 8.310 nan 0.000 0.528 1458 G N 0.517 109.317 108.800 -0.002 0.000 2.205 1458 G HA2 -0.169 3.792 3.960 0.002 0.000 0.180 1458 G HA3 -0.169 3.792 3.960 0.002 0.000 0.180 1458 G C -0.362 174.538 174.900 0.000 0.000 1.004 1458 G CA -0.054 45.046 45.100 -0.000 0.000 0.670 1458 G HN 0.624 nan 8.290 nan 0.000 0.496 1459 D N 1.637 122.037 120.400 -0.001 0.000 2.380 1459 D HA 0.533 5.174 4.640 0.002 0.000 0.230 1459 D C 1.489 177.790 176.300 0.001 0.000 1.154 1459 D CA 0.542 54.542 54.000 0.000 0.000 0.859 1459 D CB 0.797 41.597 40.800 -0.000 0.000 1.045 1459 D HN 0.258 nan 8.370 nan 0.000 0.495 1460 T N 0.510 115.066 114.554 0.004 0.000 3.129 1460 T HA 0.160 4.511 4.350 0.002 0.000 0.267 1460 T C 0.794 175.501 174.700 0.012 0.000 1.018 1460 T CA -0.615 61.489 62.100 0.006 0.000 0.903 1460 T CB -0.108 68.763 68.868 0.005 0.000 1.067 1460 T HN 0.240 nan 8.240 nan 0.000 0.549 1461 K N 2.211 122.619 120.400 0.013 0.000 2.448 1461 K HA 0.178 4.499 4.320 0.002 0.000 0.278 1461 K C 0.744 177.362 176.600 0.029 0.000 1.009 1461 K CA 0.685 56.986 56.287 0.023 0.000 0.995 1461 K CB 0.425 32.933 32.500 0.013 0.000 0.917 1461 K HN 0.330 nan 8.250 nan 0.000 0.481 1462 T N 1.044 115.633 114.554 0.058 0.000 3.041 1462 T HA 0.187 4.537 4.350 0.002 0.000 0.276 1462 T C -0.251 174.538 174.700 0.149 0.000 0.948 1462 T CA -0.410 61.731 62.100 0.068 0.000 0.885 1462 T CB -0.102 68.796 68.868 0.051 0.000 1.175 1462 T HN 0.451 nan 8.240 nan 0.000 0.529 1463 F N 2.006 121.928 119.950 -0.047 0.000 2.573 1463 F HA 0.495 5.023 4.527 0.001 0.000 0.316 1463 F C -1.013 174.771 175.800 -0.028 0.000 1.148 1463 F CA -1.098 56.870 58.000 -0.054 0.000 0.940 1463 F CB 1.564 40.503 39.000 -0.101 0.000 1.214 1463 F HN 0.013 nan 8.300 nan 0.000 0.448 1464 N N 5.073 123.361 118.700 -0.687 0.000 2.469 1464 N HA 0.049 4.790 4.740 0.002 0.000 0.239 1464 N C 0.640 175.619 175.510 -0.885 0.000 1.053 1464 N CA -0.296 52.421 53.050 -0.555 0.000 0.937 1464 N CB 0.703 39.016 38.487 -0.291 0.000 1.163 1464 N HN 0.749 nan 8.380 nan 0.000 0.509 1465 E N 2.794 122.638 120.200 -0.594 0.000 2.502 1465 E HA -0.124 4.227 4.350 0.002 0.000 0.194 1465 E C 1.352 177.973 176.600 0.035 0.000 1.062 1465 E CA 0.540 56.794 56.400 -0.243 0.000 0.867 1465 E CB -0.368 29.398 29.700 0.109 0.000 0.888 1465 E HN 0.684 nan 8.360 nan 0.000 0.510 1466 T N 0.361 114.905 114.554 -0.017 0.000 2.759 1466 T HA -0.111 4.240 4.350 0.002 0.000 0.269 1466 T C 1.521 176.305 174.700 0.140 0.000 1.042 1466 T CA 1.038 63.173 62.100 0.059 0.000 1.140 1466 T CB -0.234 68.650 68.868 0.026 0.000 0.864 1466 T HN 0.267 nan 8.240 nan 0.000 0.455 1467 L N 0.306 121.641 121.223 0.186 0.000 3.062 1467 L HA 0.342 4.683 4.340 0.002 0.000 0.255 1467 L C 1.617 178.794 176.870 0.512 0.000 1.274 1467 L CA -0.588 54.444 54.840 0.320 0.000 1.047 1467 L CB -0.155 42.058 42.059 0.256 0.000 1.402 1467 L HN 0.473 nan 8.230 nan 0.000 0.550 1468 W N 1.497 122.948 121.300 0.252 0.000 2.418 1468 W HA -0.027 4.633 4.660 0.001 0.000 0.292 1468 W C 0.545 177.218 176.519 0.257 0.000 1.213 1468 W CA 0.530 58.070 57.345 0.324 0.000 1.283 1468 W CB 0.513 30.168 29.460 0.325 0.000 1.119 1468 W HN 0.102 nan 8.180 nan 0.000 0.542 1469 E N 1.027 121.251 120.200 0.041 0.000 2.290 1469 E HA 0.053 4.404 4.350 0.002 0.000 0.277 1469 E C -1.614 174.548 176.600 -0.730 0.000 1.035 1469 E CA -1.781 54.454 56.400 -0.276 0.000 0.873 1469 E CB 0.758 30.399 29.700 -0.099 0.000 1.029 1469 E HN 0.057 nan 8.360 nan 0.000 0.419 1470 P HA -0.180 nan 4.420 nan 0.000 0.217 1470 P C 1.235 177.930 177.300 -1.008 0.000 1.148 1470 P CA 1.369 63.310 63.100 -1.931 0.000 0.828 1470 P CB 0.198 31.151 31.700 -1.244 0.000 0.783 1471 S N -1.088 114.294 115.700 -0.529 0.000 2.500 1471 S HA -0.103 4.368 4.470 0.002 0.000 0.239 1471 S C 1.783 176.281 174.600 -0.170 0.000 0.989 1471 S CA 1.223 59.263 58.200 -0.267 0.000 0.951 1471 S CB -1.331 61.772 63.200 -0.162 0.000 0.759 1471 S HN 0.275 nan 8.310 nan 0.000 0.523 1472 S N -0.955 114.629 115.700 -0.193 0.000 2.575 1472 S HA 0.214 4.685 4.470 0.002 0.000 0.215 1472 S C 0.056 174.781 174.600 0.208 0.000 0.966 1472 S CA -0.867 57.348 58.200 0.024 0.000 0.911 1472 S CB -0.413 62.844 63.200 0.095 0.000 0.780 1472 S HN 0.542 nan 8.310 nan 0.000 0.514 1473 W N 3.846 125.142 121.300 -0.006 0.000 2.237 1473 W HA 0.522 5.181 4.660 -0.001 0.000 0.335 1473 W C -2.278 174.237 176.519 -0.006 0.000 1.230 1473 W CA -3.160 54.182 57.345 -0.006 0.000 1.253 1473 W CB -0.760 28.692 29.460 -0.013 0.000 1.129 1473 W HN 0.041 nan 8.180 nan 0.000 0.590 1474 P HA 0.038 nan 4.420 nan 0.000 0.272 1474 P C 0.692 178.075 177.300 0.137 0.000 1.223 1474 P CA -0.013 63.162 63.100 0.125 0.000 0.784 1474 P CB 0.812 32.553 31.700 0.068 0.000 0.923 1475 S N 1.062 116.815 115.700 0.089 0.000 2.561 1475 S HA 0.041 4.512 4.470 0.002 0.000 0.225 1475 S C 0.721 175.360 174.600 0.065 0.000 0.977 1475 S CA -0.007 58.243 58.200 0.083 0.000 0.926 1475 S CB -0.136 63.094 63.200 0.049 0.000 0.769 1475 S HN 0.325 nan 8.310 nan 0.000 0.533 1476 R N 1.038 121.565 120.500 0.044 0.000 2.561 1476 R HA 0.842 5.183 4.340 0.002 0.000 0.297 1476 R C -0.964 175.335 176.300 -0.001 0.000 0.969 1476 R CA -0.103 56.007 56.100 0.017 0.000 0.879 1476 R CB 1.689 31.986 30.300 -0.005 0.000 1.178 1476 R HN 0.303 nan 8.270 nan 0.000 0.445 1477 A N 2.185 124.992 122.820 -0.021 0.000 2.604 1477 A HA 0.616 4.937 4.320 0.002 0.000 0.295 1477 A C -1.458 176.083 177.584 -0.070 0.000 1.067 1477 A CA -0.764 51.240 52.037 -0.055 0.000 0.683 1477 A CB 2.124 21.076 19.000 -0.079 0.000 1.281 1477 A HN 0.702 nan 8.150 nan 0.000 0.407 1478 Q N 0.411 120.158 119.800 -0.089 0.000 2.482 1478 Q HA 0.785 5.126 4.340 0.002 0.000 0.286 1478 Q C -0.353 175.658 176.000 0.019 0.000 1.007 1478 Q CA -0.650 55.116 55.803 -0.062 0.000 0.801 1478 Q CB 2.006 30.594 28.738 -0.250 0.000 1.455 1478 Q HN 1.992 nan 8.270 nan 0.000 0.398 1479 G N -0.222 108.696 108.800 0.196 0.000 2.559 1479 G HA2 0.509 4.470 3.960 0.002 0.000 0.291 1479 G HA3 0.509 4.470 3.960 0.002 0.000 0.291 1479 G C -2.006 172.950 174.900 0.094 0.000 1.424 1479 G CA -0.236 44.958 45.100 0.158 0.000 0.786 1479 G HN 0.740 nan 8.290 nan 0.000 0.485 1480 V N 0.042 119.887 119.914 -0.115 0.000 2.525 1480 V HA 0.805 4.926 4.120 0.002 0.000 0.299 1480 V C 0.326 176.183 176.094 -0.395 0.000 1.034 1480 V CA 0.217 62.222 62.300 -0.492 0.000 0.863 1480 V CB 1.416 32.743 31.823 -0.826 0.000 0.999 1480 V HN 1.513 nan 8.190 nan 0.000 0.423 1481 G N 6.871 115.425 108.800 -0.411 0.000 2.327 1481 G HA2 0.566 4.527 3.960 0.002 0.000 0.302 1481 G HA3 0.566 4.527 3.960 0.002 0.000 0.302 1481 G C -0.636 174.049 174.900 -0.358 0.000 1.113 1481 G CA -0.338 44.582 45.100 -0.300 0.000 0.921 1481 G HN 1.098 nan 8.290 nan 0.000 0.425 1482 I N 0.413 120.831 120.570 -0.253 0.000 2.525 1482 I HA 0.839 5.010 4.170 0.002 0.000 0.301 1482 I C -0.237 175.845 176.117 -0.060 0.000 0.992 1482 I CA -1.414 59.791 61.300 -0.157 0.000 1.162 1482 I CB 1.997 39.920 38.000 -0.128 0.000 1.332 1482 I HN 0.387 nan 8.210 nan 0.000 0.458 1483 M N 3.106 122.734 119.600 0.047 0.000 2.471 1483 M HA 0.371 4.852 4.480 0.002 0.000 0.284 1483 M C -1.598 174.721 176.300 0.031 0.000 1.203 1483 M CA -0.505 54.785 55.300 -0.016 0.000 0.915 1483 M CB 2.603 35.146 32.600 -0.094 0.000 1.734 1483 M HN 0.636 nan 8.290 nan 0.000 0.485 1484 E N 2.024 122.233 120.200 0.015 0.000 2.046 1484 E HA 0.508 4.859 4.350 0.002 0.000 0.279 1484 E C -0.622 176.030 176.600 0.087 0.000 0.989 1484 E CA -0.114 56.300 56.400 0.024 0.000 0.798 1484 E CB 1.443 31.172 29.700 0.049 0.000 1.086 1484 E HN 0.683 nan 8.360 nan 0.000 0.399 1485 A N 4.720 127.515 122.820 -0.042 0.000 2.257 1485 A HA 0.423 4.744 4.320 0.002 0.000 0.289 1485 A C -1.510 175.870 177.584 -0.340 0.000 1.095 1485 A CA -1.256 50.694 52.037 -0.144 0.000 0.836 1485 A CB 0.214 19.131 19.000 -0.139 0.000 1.111 1485 A HN 0.250 nan 8.150 nan 0.000 0.497 1486 P HA -0.125 nan 4.420 nan 0.000 0.217 1486 P C 0.987 178.199 177.300 -0.147 0.000 1.148 1486 P CA 1.439 64.119 63.100 -0.700 0.000 0.828 1486 P CB 0.111 31.517 31.700 -0.490 0.000 0.783 1487 R N -1.851 118.600 120.500 -0.082 0.000 2.317 1487 R HA 0.394 4.735 4.340 0.002 0.000 0.208 1487 R C 0.996 177.305 176.300 0.016 0.000 0.914 1487 R CA 0.391 56.500 56.100 0.016 0.000 1.060 1487 R CB 0.256 30.601 30.300 0.075 0.000 1.015 1487 R HN 0.200 nan 8.270 nan 0.000 0.498 1488 G N -0.078 108.691 108.800 -0.052 0.000 2.315 1488 G HA2 0.109 4.070 3.960 0.002 0.000 0.296 1488 G HA3 0.109 4.070 3.960 0.002 0.000 0.296 1488 G C -1.375 173.431 174.900 -0.157 0.000 1.289 1488 G CA -0.691 44.347 45.100 -0.103 0.000 0.996 1488 G HN 0.172 nan 8.290 nan 0.000 0.487 1489 A N -0.521 122.102 122.820 -0.328 0.000 2.561 1489 A HA 0.502 4.823 4.320 0.002 0.000 0.251 1489 A C 0.028 177.456 177.584 -0.260 0.000 1.062 1489 A CA 1.122 52.810 52.037 -0.580 0.000 0.761 1489 A CB 0.189 18.386 19.000 -1.338 0.000 0.986 1489 A HN 2.165 nan 8.150 nan 0.000 0.510 1490 L N 3.168 124.405 121.223 0.023 0.000 2.386 1490 L HA 0.866 5.206 4.340 0.002 0.000 0.271 1490 L C 0.076 177.174 176.870 0.381 0.000 0.993 1490 L CA 0.198 55.184 54.840 0.243 0.000 0.819 1490 L CB 2.033 44.125 42.059 0.055 0.000 1.294 1490 L HN 0.761 nan 8.230 nan 0.000 0.414 1491 G N 2.483 111.528 108.800 0.408 0.000 2.682 1491 G HA2 0.494 4.455 3.960 0.002 0.000 0.300 1491 G HA3 0.494 4.455 3.960 0.002 0.000 0.300 1491 G C -1.756 173.185 174.900 0.070 0.000 1.391 1491 G CA -0.442 44.606 45.100 -0.087 0.000 0.990 1491 G HN 0.736 nan 8.290 nan 0.000 0.501 1492 H N 0.601 119.412 119.070 -0.431 0.000 2.547 1492 H HA 0.318 4.875 4.556 0.003 0.000 0.342 1492 H C -1.028 173.956 175.328 -0.573 0.000 1.048 1492 H CA -0.755 55.128 56.048 -0.275 0.000 1.204 1492 H CB 2.246 31.917 29.762 -0.152 0.000 1.493 1492 H HN 0.399 nan 8.280 nan 0.000 0.511 1493 W N 5.016 126.120 121.300 -0.326 0.000 2.417 1493 W HA 0.394 5.054 4.660 -0.001 0.000 0.315 1493 W C -0.585 175.712 176.519 -0.369 0.000 1.045 1493 W CA -0.571 56.541 57.345 -0.390 0.000 1.221 1493 W CB 1.747 30.876 29.460 -0.552 0.000 1.309 1493 W HN 0.362 nan 8.180 nan 0.000 0.453 1494 I N 3.856 124.397 120.570 -0.049 0.000 2.465 1494 I HA 0.471 4.642 4.170 0.002 0.000 0.291 1494 I C -1.127 175.066 176.117 0.126 0.000 1.014 1494 I CA -0.718 60.521 61.300 -0.102 0.000 1.093 1494 I CB 1.776 39.650 38.000 -0.210 0.000 1.267 1494 I HN -0.070 nan 8.210 nan 0.000 0.431 1495 V N 8.298 128.278 119.914 0.110 0.000 2.409 1495 V HA 0.455 4.576 4.120 0.002 0.000 0.291 1495 V C -0.022 176.102 176.094 0.050 0.000 1.020 1495 V CA -0.443 61.900 62.300 0.070 0.000 0.848 1495 V CB 1.462 33.326 31.823 0.069 0.000 0.990 1495 V HN 0.492 nan 8.190 nan 0.000 0.430 1496 I N 4.374 124.958 120.570 0.023 0.000 2.377 1496 I HA 0.520 4.691 4.170 0.002 0.000 0.293 1496 I C -0.072 176.075 176.117 0.050 0.000 0.987 1496 I CA -0.336 60.988 61.300 0.041 0.000 1.185 1496 I CB 1.672 39.676 38.000 0.007 0.000 1.341 1496 I HN 0.601 nan 8.210 nan 0.000 0.455 1497 E N 5.425 125.666 120.200 0.068 0.000 2.244 1497 E HA 0.217 4.568 4.350 0.002 0.000 0.260 1497 E C -1.310 175.336 176.600 0.076 0.000 0.884 1497 E CA -0.605 55.830 56.400 0.059 0.000 0.777 1497 E CB 1.379 31.101 29.700 0.036 0.000 1.197 1497 E HN 0.519 nan 8.360 nan 0.000 0.416 1498 D N 2.398 122.848 120.400 0.084 0.000 2.723 1498 D HA -0.191 4.450 4.640 0.002 0.000 0.236 1498 D C 0.816 177.164 176.300 0.080 0.000 1.138 1498 D CA 1.659 55.699 54.000 0.067 0.000 0.676 1498 D CB -1.218 39.602 40.800 0.033 0.000 1.069 1498 D HN 1.025 nan 8.370 nan 0.000 0.430 1499 G N -0.823 108.086 108.800 0.181 0.000 2.159 1499 G HA2 -0.349 3.612 3.960 0.002 0.000 0.256 1499 G HA3 -0.349 3.612 3.960 0.002 0.000 0.256 1499 G C 0.354 175.392 174.900 0.229 0.000 0.977 1499 G CA 0.627 45.862 45.100 0.225 0.000 0.652 1499 G HN 0.512 nan 8.290 nan 0.000 0.531 1500 R N -0.743 119.854 120.500 0.162 0.000 2.912 1500 R HA 0.653 4.994 4.340 0.002 0.000 0.262 1500 R C -0.104 176.255 176.300 0.098 0.000 1.057 1500 R CA -1.169 54.996 56.100 0.108 0.000 0.981 1500 R CB 1.169 31.500 30.300 0.052 0.000 1.201 1500 R HN 0.169 nan 8.270 nan 0.000 0.484 1501 I N 1.701 122.313 120.570 0.070 0.000 2.379 1501 I HA 0.058 4.229 4.170 0.002 0.000 0.290 1501 I C 1.127 177.280 176.117 0.060 0.000 1.063 1501 I CA 0.221 61.567 61.300 0.078 0.000 1.351 1501 I CB 1.413 39.454 38.000 0.067 0.000 1.410 1501 I HN 0.762 nan 8.210 nan 0.000 0.505 1502 A N 5.272 128.132 122.820 0.067 0.000 2.014 1502 A HA 0.177 4.498 4.320 0.002 0.000 0.210 1502 A C 0.740 178.361 177.584 0.062 0.000 1.188 1502 A CA 0.615 52.682 52.037 0.051 0.000 0.731 1502 A CB 0.115 19.139 19.000 0.039 0.000 0.858 1502 A HN 0.658 nan 8.150 nan 0.000 0.464 1503 N N -2.166 116.588 118.700 0.090 0.000 2.331 1503 N HA 0.474 5.215 4.740 0.002 0.000 0.280 1503 N C -2.143 173.468 175.510 0.167 0.000 1.155 1503 N CA -0.394 52.721 53.050 0.109 0.000 0.822 1503 N CB 1.478 40.017 38.487 0.088 0.000 1.619 1503 N HN 0.160 nan 8.380 nan 0.000 0.476 1504 Y N 1.324 121.645 120.300 0.034 0.000 2.362 1504 Y HA 0.388 4.943 4.550 0.007 0.000 0.326 1504 Y C -1.375 174.532 175.900 0.012 0.000 1.083 1504 Y CA -0.533 57.585 58.100 0.030 0.000 1.073 1504 Y CB 1.261 39.707 38.460 -0.024 0.000 1.211 1504 Y HN 0.309 nan 8.280 nan 0.000 0.433 1505 Q N 4.206 124.077 119.800 0.118 0.000 2.323 1505 Q HA 0.724 5.065 4.340 0.002 0.000 0.271 1505 Q C -1.329 174.755 176.000 0.141 0.000 1.048 1505 Q CA -0.781 55.093 55.803 0.118 0.000 0.792 1505 Q CB 2.406 31.145 28.738 0.001 0.000 1.280 1505 Q HN 0.765 nan 8.270 nan 0.000 0.441 1506 A N 1.875 124.731 122.820 0.061 0.000 2.330 1506 A HA 0.779 5.100 4.320 0.002 0.000 0.327 1506 A C -0.675 176.989 177.584 0.132 0.000 1.155 1506 A CA -0.562 51.474 52.037 -0.002 0.000 0.803 1506 A CB 1.180 19.881 19.000 -0.500 0.000 1.208 1506 A HN 0.388 nan 8.150 nan 0.000 0.477 1507 V N 3.246 123.380 119.914 0.366 0.000 2.443 1507 V HA 0.454 4.575 4.120 0.002 0.000 0.293 1507 V C -0.465 175.906 176.094 0.462 0.000 1.021 1507 V CA -0.443 62.051 62.300 0.325 0.000 0.848 1507 V CB 1.272 33.264 31.823 0.282 0.000 0.998 1507 V HN 0.692 nan 8.190 nan 0.000 0.424 1508 V N 6.906 127.050 119.914 0.383 0.000 2.715 1508 V HA 0.422 4.543 4.120 0.002 0.000 0.310 1508 V C -1.417 174.936 176.094 0.431 0.000 1.054 1508 V CA -1.703 60.845 62.300 0.412 0.000 0.928 1508 V CB 2.244 34.316 31.823 0.414 0.000 1.007 1508 V HN 0.573 nan 8.190 nan 0.000 0.437 1509 P HA -0.130 nan 4.420 nan 0.000 0.216 1509 P C 1.519 179.014 177.300 0.325 0.000 1.153 1509 P CA 1.433 64.735 63.100 0.337 0.000 0.858 1509 P CB 0.235 32.026 31.700 0.150 0.000 0.789 1510 S N -1.067 114.784 115.700 0.251 0.000 2.474 1510 S HA -0.068 4.403 4.470 0.002 0.000 0.235 1510 S C 1.803 176.458 174.600 0.091 0.000 0.997 1510 S CA 1.405 59.712 58.200 0.179 0.000 0.949 1510 S CB -1.071 62.251 63.200 0.203 0.000 0.766 1510 S HN 0.316 nan 8.310 nan 0.000 0.517 1511 T N 0.871 115.516 114.554 0.152 0.000 2.708 1511 T HA -0.136 4.215 4.350 0.002 0.000 0.266 1511 T C 1.335 176.014 174.700 -0.036 0.000 1.037 1511 T CA 1.233 63.352 62.100 0.031 0.000 1.146 1511 T CB -0.401 68.477 68.868 0.016 0.000 0.865 1511 T HN 0.548 nan 8.240 nan 0.000 0.435 1512 W N 2.071 123.379 121.300 0.013 0.000 2.332 1512 W HA -0.100 4.561 4.660 0.002 0.000 0.321 1512 W C 2.515 178.965 176.519 -0.115 0.000 1.219 1512 W CA 0.787 58.123 57.345 -0.014 0.000 1.277 1512 W CB -0.642 28.830 29.460 0.020 0.000 1.161 1512 W HN 0.173 nan 8.180 nan 0.000 0.476 1513 N N -0.340 118.416 118.700 0.092 0.000 2.171 1513 N HA -0.065 4.676 4.740 0.002 0.000 0.184 1513 N C 1.567 176.615 175.510 -0.769 0.000 1.021 1513 N CA 1.803 54.746 53.050 -0.178 0.000 0.854 1513 N CB -0.904 37.595 38.487 0.020 0.000 0.994 1513 N HN 0.114 nan 8.380 nan 0.000 0.426 1514 A N 0.094 122.395 122.820 -0.865 0.000 2.238 1514 A HA 0.390 4.711 4.320 0.002 0.000 0.210 1514 A C 1.208 178.496 177.584 -0.494 0.000 1.179 1514 A CA 0.154 51.478 52.037 -1.189 0.000 0.827 1514 A CB -0.374 18.114 19.000 -0.853 0.000 0.856 1514 A HN 0.231 nan 8.150 nan 0.000 0.488 1515 G N 0.582 109.197 108.800 -0.310 0.000 2.572 1515 G HA2 0.473 4.434 3.960 0.002 0.000 0.261 1515 G HA3 0.473 4.434 3.960 0.002 0.000 0.261 1515 G C -2.268 172.521 174.900 -0.185 0.000 1.197 1515 G CA -1.121 43.857 45.100 -0.203 0.000 0.870 1515 G HN 0.190 nan 8.290 nan 0.000 0.548 1516 P HA 0.251 nan 4.420 nan 0.000 0.302 1516 P C -0.179 177.036 177.300 -0.142 0.000 1.307 1516 P CA -0.742 62.214 63.100 -0.239 0.000 0.754 1516 P CB 1.032 32.270 31.700 -0.770 0.000 1.298 1517 R N 0.169 120.628 120.500 -0.069 0.000 2.734 1517 R HA 0.112 4.453 4.340 0.002 0.000 0.266 1517 R C 0.781 177.118 176.300 0.061 0.000 1.044 1517 R CA 0.261 56.342 56.100 -0.031 0.000 1.128 1517 R CB -0.236 30.006 30.300 -0.096 0.000 1.010 1517 R HN 0.577 nan 8.270 nan 0.000 0.461 1518 D N 0.235 120.633 120.400 -0.004 0.000 2.530 1518 D HA 0.122 4.763 4.640 0.002 0.000 0.282 1518 D C 1.082 177.363 176.300 -0.030 0.000 1.204 1518 D CA -0.444 53.501 54.000 -0.092 0.000 1.093 1518 D CB -0.208 40.373 40.800 -0.365 0.000 1.154 1518 D HN 0.405 nan 8.370 nan 0.000 0.593 1519 G N -1.410 107.287 108.800 -0.172 0.000 2.511 1519 G HA2 -0.153 3.808 3.960 0.002 0.000 0.217 1519 G HA3 -0.153 3.808 3.960 0.002 0.000 0.217 1519 G C 1.354 176.223 174.900 -0.052 0.000 1.133 1519 G CA 0.013 45.059 45.100 -0.091 0.000 0.792 1519 G HN 0.273 nan 8.290 nan 0.000 0.539 1520 R N -0.026 120.416 120.500 -0.096 0.000 2.320 1520 R HA 0.274 4.615 4.340 0.002 0.000 0.211 1520 R C 1.774 178.058 176.300 -0.027 0.000 0.931 1520 R CA 0.548 56.611 56.100 -0.062 0.000 1.071 1520 R CB -0.137 30.108 30.300 -0.091 0.000 1.025 1520 R HN 0.249 nan 8.270 nan 0.000 0.495 1521 G N 0.903 109.712 108.800 0.016 0.000 2.233 1521 G HA2 -0.403 3.558 3.960 0.002 0.000 0.270 1521 G HA3 -0.403 3.558 3.960 0.002 0.000 0.270 1521 G C -0.031 174.844 174.900 -0.042 0.000 1.011 1521 G CA 0.493 45.599 45.100 0.010 0.000 0.762 1521 G HN 0.485 nan 8.290 nan 0.000 0.511 1522 Q N 0.320 120.087 119.800 -0.055 0.000 2.281 1522 Q HA 0.570 4.911 4.340 0.002 0.000 0.267 1522 Q C 0.887 176.847 176.000 -0.068 0.000 1.053 1522 Q CA 0.096 55.860 55.803 -0.064 0.000 0.905 1522 Q CB 0.353 29.048 28.738 -0.072 0.000 1.195 1522 Q HN 0.812 nan 8.270 nan 0.000 0.398 1523 A N 3.591 126.366 122.820 -0.076 0.000 2.425 1523 A HA 0.488 4.809 4.320 0.002 0.000 0.242 1523 A C 0.545 178.091 177.584 -0.064 0.000 1.077 1523 A CA 0.304 52.289 52.037 -0.086 0.000 0.781 1523 A CB 0.361 19.293 19.000 -0.113 0.000 1.020 1523 A HN 0.903 nan 8.150 nan 0.000 0.494 1524 G N -1.147 107.609 108.800 -0.073 0.000 2.563 1524 G HA2 0.490 4.451 3.960 0.002 0.000 0.283 1524 G HA3 0.490 4.451 3.960 0.002 0.000 0.283 1524 G C 1.143 176.001 174.900 -0.070 0.000 1.309 1524 G CA 0.196 45.251 45.100 -0.074 0.000 1.022 1524 G HN 1.337 nan 8.290 nan 0.000 0.501 1525 A N -0.916 121.856 122.820 -0.081 0.000 1.865 1525 A HA -0.066 4.255 4.320 0.002 0.000 0.217 1525 A C 2.166 179.709 177.584 -0.068 0.000 1.191 1525 A CA 1.757 53.773 52.037 -0.035 0.000 0.623 1525 A CB -0.815 18.193 19.000 0.013 0.000 0.826 1525 A HN 0.609 nan 8.150 nan 0.000 0.444 1526 Y N 0.309 120.335 120.300 -0.457 0.000 2.128 1526 Y HA -0.181 4.370 4.550 0.001 0.000 0.284 1526 Y C 2.460 178.247 175.900 -0.189 0.000 1.154 1526 Y CA 1.150 58.988 58.100 -0.438 0.000 1.149 1526 Y CB -1.203 37.053 38.460 -0.340 0.000 0.976 1526 Y HN 0.509 nan 8.280 nan 0.000 0.505 1527 E N -0.199 120.002 120.200 0.002 0.000 2.038 1527 E HA -0.214 4.137 4.350 0.002 0.000 0.195 1527 E C 2.445 179.003 176.600 -0.071 0.000 1.000 1527 E CA 1.278 57.634 56.400 -0.073 0.000 0.803 1527 E CB -0.349 29.273 29.700 -0.130 0.000 0.750 1527 E HN 0.386 nan 8.360 nan 0.000 0.448 1528 A N 1.325 124.125 122.820 -0.034 0.000 1.933 1528 A HA -0.127 4.194 4.320 0.002 0.000 0.218 1528 A C 2.353 179.963 177.584 0.044 0.000 1.175 1528 A CA 1.728 53.762 52.037 -0.005 0.000 0.628 1528 A CB -0.604 18.404 19.000 0.014 0.000 0.814 1528 A HN 0.300 nan 8.150 nan 0.000 0.444 1529 A N -0.311 122.571 122.820 0.102 0.000 1.898 1529 A HA 0.036 4.357 4.320 0.002 0.000 0.216 1529 A C 2.121 179.715 177.584 0.016 0.000 1.181 1529 A CA 1.343 53.494 52.037 0.191 0.000 0.620 1529 A CB -0.539 18.714 19.000 0.421 0.000 0.819 1529 A HN 0.457 nan 8.150 nan 0.000 0.442 1530 L N -0.920 120.215 121.223 -0.148 0.000 2.141 1530 L HA -0.197 4.144 4.340 0.002 0.000 0.209 1530 L C 2.594 179.338 176.870 -0.209 0.000 1.094 1530 L CA 1.195 55.770 54.840 -0.442 0.000 0.763 1530 L CB -0.436 41.457 42.059 -0.276 0.000 0.908 1530 L HN 0.478 nan 8.230 nan 0.000 0.437 1531 Q N -0.724 119.029 119.800 -0.077 0.000 2.472 1531 Q HA -0.106 4.235 4.340 0.002 0.000 0.208 1531 Q C 0.175 176.202 176.000 0.044 0.000 0.958 1531 Q CA 0.278 56.066 55.803 -0.024 0.000 0.932 1531 Q CB 0.059 28.764 28.738 -0.055 0.000 1.007 1531 Q HN 0.237 nan 8.270 nan 0.000 0.508 1532 D N 1.039 121.503 120.400 0.106 0.000 2.494 1532 D HA 0.010 4.651 4.640 0.002 0.000 0.217 1532 D C -0.461 175.968 176.300 0.215 0.000 1.153 1532 D CA -0.032 54.053 54.000 0.141 0.000 0.954 1532 D CB -0.638 40.249 40.800 0.145 0.000 1.034 1532 D HN 0.198 nan 8.370 nan 0.000 0.518 1533 N N 3.181 121.948 118.700 0.111 0.000 2.783 1533 N HA -0.202 4.539 4.740 0.002 0.000 0.247 1533 N C -1.096 174.369 175.510 -0.074 0.000 1.089 1533 N CA 0.143 53.199 53.050 0.011 0.000 0.690 1533 N CB -1.001 37.456 38.487 -0.049 0.000 0.991 1533 N HN 0.582 nan 8.380 nan 0.000 0.552 1534 H N 0.861 119.895 119.070 -0.060 0.000 2.459 1534 H HA 0.283 4.840 4.556 0.002 0.000 0.332 1534 H C -0.282 175.020 175.328 -0.043 0.000 1.094 1534 H CA -0.246 55.764 56.048 -0.064 0.000 1.224 1534 H CB 1.548 31.306 29.762 -0.006 0.000 1.449 1534 H HN 0.298 nan 8.280 nan 0.000 0.484 1535 Q N 1.742 121.538 119.800 -0.007 0.000 2.348 1535 Q HA 0.401 4.742 4.340 0.002 0.000 0.271 1535 Q C -1.102 174.932 176.000 0.057 0.000 1.067 1535 Q CA -0.865 54.950 55.803 0.020 0.000 0.839 1535 Q CB 2.158 30.888 28.738 -0.013 0.000 1.354 1535 Q HN 0.347 nan 8.270 nan 0.000 0.447 1536 L N 1.522 122.779 121.223 0.056 0.000 2.305 1536 L HA 0.321 4.662 4.340 0.002 0.000 0.284 1536 L C 0.675 177.577 176.870 0.053 0.000 1.013 1536 L CA -0.191 54.687 54.840 0.064 0.000 0.819 1536 L CB 1.600 43.684 42.059 0.042 0.000 1.227 1536 L HN 0.723 nan 8.230 nan 0.000 0.417 1537 V N 0.386 120.350 119.914 0.082 0.000 2.667 1537 V HA 0.074 4.195 4.120 0.002 0.000 0.252 1537 V C 0.158 176.248 176.094 -0.006 0.000 1.065 1537 V CA 1.398 63.715 62.300 0.029 0.000 1.083 1537 V CB 0.040 31.856 31.823 -0.013 0.000 0.692 1537 V HN 0.864 nan 8.190 nan 0.000 0.468 1538 D N -0.915 119.497 120.400 0.020 0.000 2.764 1538 D HA 0.243 4.883 4.640 0.002 0.000 0.227 1538 D C 0.596 176.873 176.300 -0.039 0.000 1.347 1538 D CA 0.172 54.158 54.000 -0.024 0.000 0.953 1538 D CB 1.759 42.521 40.800 -0.063 0.000 1.476 1538 D HN 0.108 nan 8.370 nan 0.000 0.585 1539 V N 2.416 122.308 119.914 -0.037 0.000 2.759 1539 V HA -0.054 4.067 4.120 0.002 0.000 0.256 1539 V C 1.634 177.685 176.094 -0.071 0.000 1.080 1539 V CA 1.141 63.416 62.300 -0.042 0.000 1.101 1539 V CB -0.645 31.167 31.823 -0.018 0.000 0.698 1539 V HN 0.404 nan 8.190 nan 0.000 0.477 1540 K N 0.345 120.695 120.400 -0.082 0.000 2.486 1540 K HA 0.137 4.458 4.320 0.002 0.000 0.194 1540 K C 0.643 177.099 176.600 -0.240 0.000 1.033 1540 K CA 0.585 56.813 56.287 -0.098 0.000 1.004 1540 K CB -0.011 32.456 32.500 -0.054 0.000 0.798 1540 K HN 0.603 nan 8.250 nan 0.000 0.495 1541 Q N 0.761 120.333 119.800 -0.380 0.000 3.394 1541 Q HA 0.126 4.467 4.340 0.002 0.000 0.285 1541 Q C -2.505 173.074 176.000 -0.702 0.000 0.866 1541 Q CA -1.307 53.918 55.803 -0.964 0.000 0.844 1541 Q CB 1.521 29.853 28.738 -0.677 0.000 1.472 1541 Q HN -0.012 nan 8.270 nan 0.000 0.401 1542 P HA 0.063 nan 4.420 nan 0.000 0.220 1542 P C 0.639 177.822 177.300 -0.195 0.000 1.778 1542 P CA 0.066 63.039 63.100 -0.211 0.000 0.912 1542 P CB -0.213 31.424 31.700 -0.105 0.000 1.861 1543 I N 0.521 120.890 120.570 -0.336 0.000 2.423 1543 I HA -0.290 3.881 4.170 0.002 0.000 0.254 1543 I C 1.524 177.469 176.117 -0.287 0.000 1.151 1543 I CA 1.653 62.746 61.300 -0.345 0.000 1.421 1543 I CB 0.202 37.808 38.000 -0.657 0.000 1.079 1543 I HN 0.006 nan 8.210 nan 0.000 0.431 1544 E N 0.673 120.812 120.200 -0.101 0.000 2.107 1544 E HA -0.146 4.205 4.350 0.002 0.000 0.191 1544 E C 2.082 178.836 176.600 0.256 0.000 0.982 1544 E CA 1.222 57.748 56.400 0.210 0.000 0.809 1544 E CB -0.128 29.770 29.700 0.331 0.000 0.756 1544 E HN 0.525 nan 8.360 nan 0.000 0.459 1545 I N 0.502 121.128 120.570 0.094 0.000 2.163 1545 I HA -0.270 3.901 4.170 0.002 0.000 0.240 1545 I C 2.064 178.130 176.117 -0.085 0.000 1.081 1545 I CA 0.992 62.306 61.300 0.024 0.000 1.353 1545 I CB -0.196 37.790 38.000 -0.022 0.000 1.054 1545 I HN 0.116 nan 8.210 nan 0.000 0.407 1546 L N 0.023 121.140 121.223 -0.177 0.000 2.012 1546 L HA -0.259 4.082 4.340 0.002 0.000 0.210 1546 L C 2.759 179.439 176.870 -0.317 0.000 1.073 1546 L CA 1.517 56.128 54.840 -0.381 0.000 0.748 1546 L CB -0.757 41.164 42.059 -0.231 0.000 0.891 1546 L HN 0.194 nan 8.230 nan 0.000 0.431 1547 R N -0.537 119.781 120.500 -0.302 0.000 2.094 1547 R HA -0.170 4.171 4.340 0.002 0.000 0.239 1547 R C 2.346 178.691 176.300 0.075 0.000 1.137 1547 R CA 2.254 58.130 56.100 -0.373 0.000 0.943 1547 R CB -0.580 29.055 30.300 -1.108 0.000 0.850 1547 R HN 0.337 nan 8.270 nan 0.000 0.433 1548 T N 0.952 115.615 114.554 0.182 0.000 2.812 1548 T HA -0.030 4.321 4.350 0.002 0.000 0.264 1548 T C 1.768 176.586 174.700 0.197 0.000 1.042 1548 T CA 0.794 63.088 62.100 0.324 0.000 1.140 1548 T CB -0.006 69.154 68.868 0.486 0.000 0.870 1548 T HN 0.050 nan 8.240 nan 0.000 0.445 1549 I N 1.169 121.737 120.570 -0.004 0.000 2.252 1549 I HA -0.106 4.065 4.170 0.002 0.000 0.245 1549 I C 2.164 178.225 176.117 -0.093 0.000 1.102 1549 I CA 1.580 62.772 61.300 -0.181 0.000 1.385 1549 I CB -1.319 36.492 38.000 -0.314 0.000 1.064 1549 I HN 0.433 nan 8.210 nan 0.000 0.414 1550 H N 0.401 119.434 119.070 -0.060 0.000 2.456 1550 H HA -0.116 4.441 4.556 0.001 0.000 0.296 1550 H C 2.403 177.568 175.328 -0.272 0.000 1.079 1550 H CA 1.337 57.296 56.048 -0.148 0.000 1.322 1550 H CB 0.149 29.775 29.762 -0.228 0.000 1.388 1550 H HN 0.375 nan 8.280 nan 0.000 0.538 1551 S N 0.263 115.942 115.700 -0.035 0.000 2.447 1551 S HA -0.147 4.324 4.470 0.002 0.000 0.233 1551 S C 1.509 176.052 174.600 -0.094 0.000 1.006 1551 S CA 0.846 59.056 58.200 0.018 0.000 0.957 1551 S CB -0.441 62.880 63.200 0.201 0.000 0.773 1551 S HN 0.296 nan 8.310 nan 0.000 0.507 1552 F N 1.725 121.638 119.950 -0.062 0.000 2.789 1552 F HA 0.246 4.774 4.527 0.002 0.000 0.300 1552 F C 0.821 176.581 175.800 -0.067 0.000 1.132 1552 F CA 0.255 58.238 58.000 -0.028 0.000 1.404 1552 F CB -0.195 38.793 39.000 -0.019 0.000 1.114 1552 F HN 0.145 nan 8.300 nan 0.000 0.584 1553 D N 0.368 120.768 120.400 -0.001 0.000 2.828 1553 D HA -0.142 4.499 4.640 0.002 0.000 0.241 1553 D C -2.636 173.730 176.300 0.111 0.000 1.142 1553 D CA -0.153 53.748 54.000 -0.166 0.000 0.755 1553 D CB -0.495 39.995 40.800 -0.517 0.000 1.014 1553 D HN 0.080 nan 8.370 nan 0.000 0.420 1554 P HA 0.180 nan 4.420 nan 0.000 0.271 1554 P C -0.253 177.191 177.300 0.239 0.000 1.218 1554 P CA -0.530 62.752 63.100 0.303 0.000 0.780 1554 P CB 1.200 33.082 31.700 0.303 0.000 0.901 1555 C N 5.396 124.841 119.300 0.242 0.000 2.660 1555 C HA 0.311 4.772 4.460 0.002 0.000 0.336 1555 C C 1.207 176.321 174.990 0.207 0.000 1.058 1555 C CA -0.463 58.679 59.018 0.206 0.000 1.368 1555 C CB -0.972 26.889 27.740 0.201 0.000 1.884 1555 C HN 0.457 nan 8.230 nan 0.000 0.454 1556 I N 3.738 124.420 120.570 0.186 0.000 2.876 1556 I HA 0.050 4.221 4.170 0.002 0.000 0.264 1556 I C 2.498 178.726 176.117 0.185 0.000 1.204 1556 I CA 1.468 62.880 61.300 0.187 0.000 1.485 1556 I CB -1.503 36.613 38.000 0.194 0.000 1.103 1556 I HN 0.771 nan 8.210 nan 0.000 0.446 1557 A N 0.312 123.237 122.820 0.174 0.000 1.877 1557 A HA -0.227 4.094 4.320 0.002 0.000 0.216 1557 A C 2.607 180.319 177.584 0.213 0.000 1.186 1557 A CA 1.868 54.009 52.037 0.174 0.000 0.620 1557 A CB -1.204 17.892 19.000 0.160 0.000 0.822 1557 A HN 0.458 nan 8.150 nan 0.000 0.443 1558 C N -1.142 118.310 119.300 0.254 0.000 2.413 1558 C HA -0.019 4.442 4.460 0.002 0.000 0.277 1558 C C 3.353 178.576 174.990 0.387 0.000 1.228 1558 C CA 1.060 60.282 59.018 0.340 0.000 1.731 1558 C CB -1.298 26.656 27.740 0.356 0.000 2.042 1558 C HN 0.701 nan 8.230 nan 0.000 0.468 1559 A N -0.643 122.343 122.820 0.276 0.000 1.972 1559 A HA -0.067 4.254 4.320 0.002 0.000 0.219 1559 A C 2.116 179.773 177.584 0.121 0.000 1.169 1559 A CA 2.343 54.510 52.037 0.216 0.000 0.635 1559 A CB -0.345 18.736 19.000 0.135 0.000 0.810 1559 A HN 0.438 nan 8.150 nan 0.000 0.446 1560 V N -0.367 119.580 119.914 0.055 0.000 3.048 1560 V HA 0.096 4.217 4.120 0.002 0.000 0.241 1560 V C 0.862 176.630 176.094 -0.543 0.000 1.129 1560 V CA 0.543 62.748 62.300 -0.158 0.000 1.128 1560 V CB -0.893 30.967 31.823 0.061 0.000 0.849 1560 V HN 0.855 nan 8.190 nan 0.000 0.475 1561 H N 0.000 119.115 119.070 0.076 0.000 2.539 1561 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1561 H CA 0.000 56.060 56.048 0.020 0.000 1.023 1561 H CB 0.000 29.745 29.762 -0.028 0.000 1.292 1561 H HN 0.000 nan 8.280 nan 0.000 0.496