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 2nxg_1_B DATA FIRST_RESID 1003 DATA SEQUENCE KFLVIAGPNA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX XXXXXXGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DAPTALPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI 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 1003 K HA 0.000 nan 4.320 nan 0.000 0.191 1003 K C 0.000 176.691 176.600 0.151 0.000 0.988 1003 K CA 0.000 56.365 56.287 0.130 0.000 0.838 1003 K CB 0.000 32.573 32.500 0.122 0.000 1.064 1004 F N 1.566 121.530 119.950 0.024 0.000 2.607 1004 F HA 0.218 4.745 4.527 0.001 0.000 0.374 1004 F C -0.228 175.537 175.800 -0.060 0.000 1.104 1004 F CA -0.237 57.761 58.000 -0.002 0.000 1.296 1004 F CB 0.550 39.542 39.000 -0.014 0.000 1.085 1004 F HN 0.433 nan 8.300 nan 0.000 0.584 1005 L N 6.633 127.431 121.223 -0.709 0.000 2.309 1005 L HA 0.571 4.912 4.340 0.001 0.000 0.282 1005 L C -1.253 175.214 176.870 -0.671 0.000 1.036 1005 L CA -0.464 54.050 54.840 -0.542 0.000 0.806 1005 L CB 1.550 43.384 42.059 -0.375 0.000 1.220 1005 L HN 0.381 nan 8.230 nan 0.000 0.429 1006 V N 6.742 126.356 119.914 -0.500 0.000 2.409 1006 V HA 0.433 4.553 4.120 0.001 0.000 0.290 1006 V C -0.129 175.781 176.094 -0.307 0.000 1.017 1006 V CA -0.421 61.616 62.300 -0.438 0.000 0.841 1006 V CB 1.424 32.859 31.823 -0.646 0.000 1.003 1006 V HN 0.563 nan 8.190 nan 0.000 0.426 1007 I N 4.503 124.906 120.570 -0.279 0.000 2.336 1007 I HA 0.829 4.999 4.170 0.001 0.000 0.292 1007 I C 0.346 176.206 176.117 -0.429 0.000 0.991 1007 I CA -0.108 61.001 61.300 -0.318 0.000 1.227 1007 I CB 1.590 39.381 38.000 -0.348 0.000 1.366 1007 I HN 0.701 nan 8.210 nan 0.000 0.466 1008 A N 4.419 127.017 122.820 -0.371 0.000 2.609 1008 A HA 1.006 5.327 4.320 0.001 0.000 0.291 1008 A C -0.454 176.819 177.584 -0.519 0.000 1.096 1008 A CA -0.191 51.608 52.037 -0.396 0.000 0.684 1008 A CB 1.940 20.835 19.000 -0.174 0.000 1.282 1008 A HN 0.966 nan 8.150 nan 0.000 0.412 1009 G N -0.527 107.976 108.800 -0.494 0.000 2.356 1009 G HA2 0.498 4.459 3.960 0.001 0.000 0.300 1009 G HA3 0.498 4.459 3.960 0.001 0.000 0.300 1009 G C -3.569 171.121 174.900 -0.350 0.000 1.331 1009 G CA -0.098 44.609 45.100 -0.654 0.000 0.905 1009 G HN 0.769 nan 8.290 nan 0.000 0.587 1010 P HA 0.199 nan 4.420 nan 0.000 0.277 1010 P C 0.499 177.794 177.300 -0.008 0.000 1.240 1010 P CA -0.184 62.888 63.100 -0.047 0.000 0.798 1010 P CB 1.719 33.424 31.700 0.007 0.000 0.979 1011 N N 2.012 120.758 118.700 0.076 0.000 2.013 1011 N HA -0.137 4.604 4.740 0.001 0.000 0.195 1011 N C 0.442 176.038 175.510 0.143 0.000 1.051 1011 N CA 1.610 54.732 53.050 0.120 0.000 0.851 1011 N CB -0.406 38.174 38.487 0.155 0.000 1.044 1011 N HN 0.580 nan 8.380 nan 0.000 0.422 1012 A N -0.502 122.436 122.820 0.197 0.000 2.337 1012 A HA 0.547 4.868 4.320 0.001 0.000 0.331 1012 A C -0.410 177.359 177.584 0.309 0.000 1.137 1012 A CA -0.666 51.544 52.037 0.289 0.000 0.807 1012 A CB 0.740 20.038 19.000 0.497 0.000 1.250 1012 A HN 0.308 nan 8.150 nan 0.000 0.468 1013 I N 2.124 122.923 120.570 0.382 0.000 2.270 1013 I HA 0.026 4.197 4.170 0.001 0.000 0.300 1013 I C 0.843 177.274 176.117 0.523 0.000 1.186 1013 I CA 0.303 61.847 61.300 0.408 0.000 1.431 1013 I CB -0.236 38.029 38.000 0.442 0.000 1.485 1013 I HN 0.857 nan 8.210 nan 0.000 0.650 1014 E N 2.824 123.240 120.200 0.360 0.000 2.268 1014 E HA -0.092 4.259 4.350 0.001 0.000 0.195 1014 E C 0.314 177.107 176.600 0.322 0.000 0.995 1014 E CA 0.627 57.203 56.400 0.293 0.000 0.836 1014 E CB 0.188 29.926 29.700 0.064 0.000 0.763 1014 E HN 0.753 nan 8.360 nan 0.000 0.491 1015 S N -1.349 114.514 115.700 0.272 0.000 2.714 1015 S HA -0.006 4.465 4.470 0.001 0.000 0.284 1015 S C 0.232 174.954 174.600 0.202 0.000 1.019 1015 S CA -0.710 57.626 58.200 0.227 0.000 0.856 1015 S CB 0.698 63.971 63.200 0.122 0.000 1.075 1015 S HN 0.218 nan 8.310 nan 0.000 0.455 1016 E N 0.762 121.054 120.200 0.153 0.000 2.338 1016 E HA -0.154 4.197 4.350 0.001 0.000 0.197 1016 E C 1.372 177.995 176.600 0.037 0.000 1.007 1016 E CA 1.090 57.501 56.400 0.018 0.000 0.849 1016 E CB -0.146 29.480 29.700 -0.124 0.000 0.774 1016 E HN 0.767 nan 8.360 nan 0.000 0.506 1017 E N 0.950 121.184 120.200 0.057 0.000 2.051 1017 E HA -0.217 4.134 4.350 0.001 0.000 0.192 1017 E C 2.133 178.756 176.600 0.038 0.000 0.991 1017 E CA 1.054 57.479 56.400 0.041 0.000 0.799 1017 E CB -0.079 29.646 29.700 0.041 0.000 0.748 1017 E HN 0.349 nan 8.360 nan 0.000 0.449 1018 L N 1.196 122.446 121.223 0.045 0.000 2.042 1018 L HA -0.184 4.157 4.340 0.001 0.000 0.210 1018 L C 2.199 179.099 176.870 0.051 0.000 1.076 1018 L CA 1.632 56.480 54.840 0.013 0.000 0.749 1018 L CB -0.441 41.623 42.059 0.008 0.000 0.893 1018 L HN 0.241 nan 8.230 nan 0.000 0.432 1019 L N -1.251 120.038 121.223 0.111 0.000 2.131 1019 L HA -0.216 4.124 4.340 0.001 0.000 0.210 1019 L C 2.500 179.392 176.870 0.037 0.000 1.092 1019 L CA 1.153 56.101 54.840 0.180 0.000 0.759 1019 L CB -0.618 41.538 42.059 0.161 0.000 0.903 1019 L HN 0.349 nan 8.230 nan 0.000 0.435 1020 L N -0.208 121.039 121.223 0.040 0.000 2.179 1020 L HA -0.156 4.185 4.340 0.001 0.000 0.208 1020 L C 2.662 179.570 176.870 0.062 0.000 1.096 1020 L CA 0.961 55.864 54.840 0.106 0.000 0.779 1020 L CB -0.377 41.747 42.059 0.107 0.000 0.922 1020 L HN 0.244 nan 8.230 nan 0.000 0.443 1021 K N 0.231 120.643 120.400 0.021 0.000 2.062 1021 K HA -0.106 4.214 4.320 0.001 0.000 0.205 1021 K C 1.929 178.496 176.600 -0.056 0.000 1.051 1021 K CA 1.091 57.369 56.287 -0.015 0.000 0.941 1021 K CB 0.180 32.667 32.500 -0.021 0.000 0.719 1021 K HN 0.072 nan 8.250 nan 0.000 0.440 1022 V N 0.564 120.470 119.914 -0.013 0.000 2.488 1022 V HA -0.076 4.045 4.120 0.001 0.000 0.246 1022 V C 2.364 178.460 176.094 0.003 0.000 1.046 1022 V CA 1.859 64.176 62.300 0.029 0.000 1.053 1022 V CB -0.499 31.404 31.823 0.134 0.000 0.679 1022 V HN 0.572 nan 8.190 nan 0.000 0.458 1023 G N -0.432 108.293 108.800 -0.125 0.000 2.432 1023 G HA2 -0.282 3.678 3.960 0.001 0.000 0.219 1023 G HA3 -0.282 3.678 3.960 0.001 0.000 0.219 1023 G C 1.503 175.749 174.900 -1.090 0.000 1.135 1023 G CA 0.963 45.728 45.100 -0.558 0.000 0.767 1023 G HN 0.576 nan 8.290 nan 0.000 0.550 1024 E N 0.131 119.763 120.200 -0.946 0.000 2.047 1024 E HA -0.160 4.191 4.350 0.001 0.000 0.191 1024 E C 2.288 178.629 176.600 -0.431 0.000 0.987 1024 E CA 1.288 57.208 56.400 -0.801 0.000 0.799 1024 E CB -0.091 29.461 29.700 -0.247 0.000 0.752 1024 E HN 0.391 nan 8.360 nan 0.000 0.449 1025 E N 0.674 120.710 120.200 -0.273 0.000 2.150 1025 E HA -0.114 4.237 4.350 0.001 0.000 0.193 1025 E C 1.839 178.321 176.600 -0.197 0.000 0.985 1025 E CA 1.036 57.333 56.400 -0.172 0.000 0.814 1025 E CB -0.170 29.470 29.700 -0.099 0.000 0.752 1025 E HN 0.405 nan 8.360 nan 0.000 0.466 1026 I N 0.025 120.462 120.570 -0.223 0.000 2.617 1026 I HA -0.147 4.024 4.170 0.001 0.000 0.256 1026 I C 2.102 177.988 176.117 -0.384 0.000 1.167 1026 I CA 0.718 61.876 61.300 -0.237 0.000 1.469 1026 I CB -0.137 37.840 38.000 -0.037 0.000 1.098 1026 I HN 0.051 nan 8.210 nan 0.000 0.436 1027 K N 1.624 121.793 120.400 -0.384 0.000 2.057 1027 K HA -0.166 4.155 4.320 0.001 0.000 0.206 1027 K C 2.187 178.638 176.600 -0.247 0.000 1.050 1027 K CA 1.444 57.549 56.287 -0.303 0.000 0.935 1027 K CB -0.290 32.023 32.500 -0.311 0.000 0.715 1027 K HN 0.051 nan 8.250 nan 0.000 0.439 1028 R N -0.215 120.149 120.500 -0.227 0.000 2.080 1028 R HA -0.125 4.216 4.340 0.001 0.000 0.236 1028 R C 1.969 178.163 176.300 -0.177 0.000 1.137 1028 R CA 1.658 57.664 56.100 -0.157 0.000 0.943 1028 R CB -0.429 29.799 30.300 -0.120 0.000 0.846 1028 R HN 0.148 nan 8.270 nan 0.000 0.431 1029 L N 0.636 121.726 121.223 -0.221 0.000 2.042 1029 L HA -0.160 4.181 4.340 0.001 0.000 0.210 1029 L C 2.535 179.208 176.870 -0.327 0.000 1.076 1029 L CA 1.880 56.634 54.840 -0.144 0.000 0.749 1029 L CB -1.068 40.884 42.059 -0.178 0.000 0.893 1029 L HN 0.213 nan 8.230 nan 0.000 0.432 1030 S N -1.155 114.084 115.700 -0.768 0.000 2.400 1030 S HA -0.176 4.295 4.470 0.001 0.000 0.232 1030 S C 1.890 176.445 174.600 -0.074 0.000 1.025 1030 S CA 1.169 59.044 58.200 -0.542 0.000 0.993 1030 S CB -0.080 62.892 63.200 -0.379 0.000 0.808 1030 S HN 0.437 nan 8.310 nan 0.000 0.478 1031 E N 0.733 120.868 120.200 -0.107 0.000 2.158 1031 E HA -0.003 4.348 4.350 0.001 0.000 0.191 1031 E C 1.942 178.494 176.600 -0.080 0.000 0.982 1031 E CA 0.657 57.023 56.400 -0.056 0.000 0.823 1031 E CB -0.197 29.464 29.700 -0.066 0.000 0.766 1031 E HN 0.576 nan 8.360 nan 0.000 0.468 1032 K N -0.370 119.935 120.400 -0.160 0.000 2.305 1032 K HA 0.006 4.327 4.320 0.001 0.000 0.199 1032 K C -0.083 176.200 176.600 -0.529 0.000 1.047 1032 K CA 0.405 56.462 56.287 -0.383 0.000 0.976 1032 K CB 0.235 32.396 32.500 -0.564 0.000 0.765 1032 K HN -0.087 nan 8.250 nan 0.000 0.474 1033 F N 1.228 121.254 119.950 0.127 0.000 2.449 1033 F HA 0.315 4.843 4.527 0.001 0.000 0.344 1033 F C 0.486 176.425 175.800 0.232 0.000 1.180 1033 F CA -0.923 57.201 58.000 0.206 0.000 1.209 1033 F CB 1.365 40.567 39.000 0.337 0.000 1.440 1033 F HN -0.262 nan 8.300 nan 0.000 0.526 1034 K N 0.363 120.907 120.400 0.239 0.000 2.280 1034 K HA -0.158 4.163 4.320 0.001 0.000 0.202 1034 K C 1.523 178.242 176.600 0.198 0.000 1.047 1034 K CA 0.829 57.232 56.287 0.193 0.000 0.942 1034 K CB 0.148 32.712 32.500 0.108 0.000 0.739 1034 K HN 0.406 nan 8.250 nan 0.000 0.457 1035 E N 0.715 121.040 120.200 0.209 0.000 2.494 1035 E HA 0.010 4.361 4.350 0.001 0.000 0.193 1035 E C -0.690 176.019 176.600 0.181 0.000 1.074 1035 E CA -0.022 56.480 56.400 0.169 0.000 0.867 1035 E CB 0.266 30.053 29.700 0.145 0.000 0.924 1035 E HN -0.161 nan 8.360 nan 0.000 0.502 1036 V N 0.924 120.970 119.914 0.219 0.000 2.604 1036 V HA 0.288 4.409 4.120 0.001 0.000 0.305 1036 V C -0.452 175.705 176.094 0.105 0.000 1.043 1036 V CA -1.024 61.343 62.300 0.111 0.000 0.888 1036 V CB 1.882 33.674 31.823 -0.052 0.000 0.995 1036 V HN 0.084 nan 8.190 nan 0.000 0.429 1037 E N 3.595 123.789 120.200 -0.009 0.000 2.055 1037 E HA 0.444 4.794 4.350 0.001 0.000 0.274 1037 E C -1.367 175.197 176.600 -0.060 0.000 0.949 1037 E CA -0.451 55.978 56.400 0.049 0.000 0.775 1037 E CB 0.572 30.294 29.700 0.037 0.000 1.097 1037 E HN 0.470 nan 8.360 nan 0.000 0.404 1038 F N 2.960 122.929 119.950 0.032 0.000 2.375 1038 F HA 0.369 4.897 4.527 0.001 0.000 0.333 1038 F C 0.013 175.814 175.800 0.001 0.000 1.104 1038 F CA -0.551 57.453 58.000 0.007 0.000 1.149 1038 F CB 1.423 40.442 39.000 0.033 0.000 1.190 1038 F HN 0.152 nan 8.300 nan 0.000 0.533 1039 V N 3.759 123.753 119.914 0.133 0.000 2.569 1039 V HA 0.225 4.346 4.120 0.001 0.000 0.301 1039 V C -0.882 175.256 176.094 0.074 0.000 1.044 1039 V CA -1.017 61.329 62.300 0.077 0.000 0.874 1039 V CB 1.705 33.505 31.823 -0.039 0.000 1.002 1039 V HN 0.539 nan 8.190 nan 0.000 0.424 1040 F N 5.681 125.629 119.950 -0.002 0.000 2.427 1040 F HA 0.546 5.073 4.527 0.001 0.000 0.352 1040 F C 0.254 176.029 175.800 -0.041 0.000 1.100 1040 F CA 0.256 58.242 58.000 -0.024 0.000 1.191 1040 F CB 0.558 39.558 39.000 -0.001 0.000 1.128 1040 F HN 0.394 nan 8.300 nan 0.000 0.533 1041 K N 4.545 124.536 120.400 -0.681 0.000 2.371 1041 K HA 0.621 4.942 4.320 0.001 0.000 0.251 1041 K C -1.662 174.662 176.600 -0.459 0.000 0.934 1041 K CA -0.466 55.570 56.287 -0.418 0.000 0.798 1041 K CB 1.881 34.137 32.500 -0.407 0.000 1.204 1041 K HN 0.688 nan 8.250 nan 0.000 0.427 1042 S N 1.123 116.756 115.700 -0.113 0.000 2.578 1042 S HA 0.287 4.758 4.470 0.001 0.000 0.285 1042 S C -1.754 172.918 174.600 0.119 0.000 1.126 1042 S CA -0.531 57.675 58.200 0.010 0.000 0.878 1042 S CB 1.080 64.346 63.200 0.110 0.000 1.091 1042 S HN 0.504 nan 8.310 nan 0.000 0.450 1043 S N 3.235 119.002 115.700 0.112 0.000 2.499 1043 S HA 0.372 4.842 4.470 0.001 0.000 0.279 1043 S C 0.742 175.416 174.600 0.122 0.000 1.219 1043 S CA -0.565 57.666 58.200 0.052 0.000 1.062 1043 S CB 0.197 63.396 63.200 -0.002 0.000 0.978 1043 S HN 0.668 nan 8.310 nan 0.000 0.489 1044 F N 0.666 120.720 119.950 0.173 0.000 2.811 1044 F HA 0.468 4.996 4.527 0.001 0.000 0.301 1044 F C 0.354 176.228 175.800 0.123 0.000 1.151 1044 F CA -0.444 57.665 58.000 0.182 0.000 1.412 1044 F CB -0.022 39.076 39.000 0.164 0.000 1.113 1044 F HN 0.450 nan 8.300 nan 0.000 0.579 1045 D N 0.268 120.475 120.400 -0.321 0.000 2.795 1045 D HA 0.187 4.828 4.640 0.001 0.000 0.206 1045 D C -1.561 174.518 176.300 -0.368 0.000 1.278 1045 D CA -0.596 53.217 54.000 -0.312 0.000 0.839 1045 D CB 1.158 41.775 40.800 -0.304 0.000 1.700 1045 D HN -0.154 nan 8.370 nan 0.000 0.549 1046 K N 3.053 123.287 120.400 -0.277 0.000 2.231 1046 K HA 0.543 4.864 4.320 0.001 0.000 0.255 1046 K C 0.503 176.943 176.600 -0.267 0.000 1.108 1046 K CA -0.328 55.839 56.287 -0.200 0.000 0.997 1046 K CB 0.889 33.342 32.500 -0.079 0.000 1.549 1046 K HN 0.461 nan 8.250 nan 0.000 0.419 1047 A N 2.666 125.224 122.820 -0.436 0.000 2.206 1047 A HA -0.099 4.222 4.320 0.001 0.000 0.211 1047 A C 1.005 178.508 177.584 -0.135 0.000 1.158 1047 A CA 0.720 52.529 52.037 -0.379 0.000 0.761 1047 A CB -0.570 18.008 19.000 -0.702 0.000 0.801 1047 A HN 0.815 nan 8.150 nan 0.000 0.473 1048 N N -1.377 117.289 118.700 -0.058 0.000 2.365 1048 N HA 0.127 4.868 4.740 0.001 0.000 0.257 1048 N C -0.315 175.236 175.510 0.068 0.000 1.287 1048 N CA -0.752 52.335 53.050 0.062 0.000 0.882 1048 N CB 0.504 39.110 38.487 0.199 0.000 1.250 1048 N HN -0.058 nan 8.380 nan 0.000 0.507 1049 R N 0.581 121.088 120.500 0.012 0.000 2.756 1049 R HA 0.086 4.427 4.340 0.001 0.000 0.264 1049 R C 0.943 177.263 176.300 0.033 0.000 1.026 1049 R CA 0.061 56.177 56.100 0.027 0.000 1.121 1049 R CB 0.470 30.775 30.300 0.008 0.000 0.999 1049 R HN 0.202 nan 8.270 nan 0.000 0.449 1050 S N 0.125 115.850 115.700 0.041 0.000 2.387 1050 S HA -0.074 4.397 4.470 0.001 0.000 0.226 1050 S C 1.015 175.611 174.600 -0.006 0.000 1.026 1050 S CA 0.750 58.966 58.200 0.026 0.000 0.972 1050 S CB 0.090 63.312 63.200 0.036 0.000 0.814 1050 S HN 0.620 nan 8.310 nan 0.000 0.477 1051 S N 0.239 115.936 115.700 -0.005 0.000 2.525 1051 S HA 0.395 4.866 4.470 0.001 0.000 0.290 1051 S C 0.721 175.277 174.600 -0.073 0.000 1.152 1051 S CA -0.697 57.481 58.200 -0.038 0.000 1.072 1051 S CB 0.935 64.139 63.200 0.006 0.000 1.027 1051 S HN 0.161 nan 8.310 nan 0.000 0.500 1052 I N 4.100 124.562 120.570 -0.180 0.000 2.614 1052 I HA 0.017 4.187 4.170 0.001 0.000 0.258 1052 I C 1.105 177.139 176.117 -0.138 0.000 1.189 1052 I CA 1.623 62.802 61.300 -0.202 0.000 1.462 1052 I CB -0.326 37.489 38.000 -0.308 0.000 1.092 1052 I HN 0.827 nan 8.210 nan 0.000 0.442 1053 H N -0.695 118.376 119.070 0.003 0.000 2.660 1053 H HA 0.355 4.912 4.556 0.002 0.000 0.310 1053 H C 0.324 175.666 175.328 0.024 0.000 1.080 1053 H CA -0.430 55.624 56.048 0.009 0.000 1.145 1053 H CB 0.054 29.822 29.762 0.011 0.000 1.432 1053 H HN 0.142 nan 8.280 nan 0.000 0.542 1054 S N 0.228 115.995 115.700 0.111 0.000 2.648 1054 S HA 0.203 4.674 4.470 0.001 0.000 0.305 1054 S C -0.619 174.044 174.600 0.106 0.000 1.094 1054 S CA -0.870 57.397 58.200 0.113 0.000 0.983 1054 S CB 1.359 64.613 63.200 0.090 0.000 1.101 1054 S HN 0.298 nan 8.310 nan 0.000 0.514 1055 F N 2.205 122.157 119.950 0.003 0.000 2.543 1055 F HA 0.216 4.744 4.527 0.001 0.000 0.375 1055 F C 1.251 177.034 175.800 -0.029 0.000 1.075 1055 F CA 0.426 58.414 58.000 -0.020 0.000 1.225 1055 F CB 0.379 39.372 39.000 -0.012 0.000 1.099 1055 F HN 0.553 nan 8.300 nan 0.000 0.561 1056 R N 3.351 123.348 120.500 -0.838 0.000 2.164 1056 R HA 0.463 4.804 4.340 0.001 0.000 0.198 1056 R C 0.636 176.355 176.300 -0.968 0.000 1.028 1056 R CA 0.210 55.909 56.100 -0.668 0.000 1.083 1056 R CB 0.279 30.353 30.300 -0.377 0.000 1.026 1056 R HN 0.903 nan 8.270 nan 0.000 0.514 1057 G N -0.861 107.128 108.800 -1.352 0.000 2.350 1057 G HA2 -0.070 3.891 3.960 0.001 0.000 0.282 1057 G HA3 -0.070 3.891 3.960 0.001 0.000 0.282 1057 G C -1.066 173.524 174.900 -0.517 0.000 1.314 1057 G CA -0.787 43.830 45.100 -0.806 0.000 0.915 1057 G HN 0.276 nan 8.290 nan 0.000 0.499 1058 H N 0.061 119.134 119.070 0.005 0.000 2.652 1058 H HA 0.519 5.076 4.556 0.001 0.000 0.274 1058 H C 1.117 176.492 175.328 0.077 0.000 1.021 1058 H CA 1.131 57.160 56.048 -0.032 0.000 1.187 1058 H CB 0.899 30.486 29.762 -0.290 0.000 1.505 1058 H HN 1.739 nan 8.280 nan 0.000 0.530 1059 G N 0.079 109.022 108.800 0.238 0.000 2.570 1059 G HA2 -0.202 3.758 3.960 0.001 0.000 0.686 1059 G HA3 -0.202 3.758 3.960 0.001 0.000 0.686 1059 G C 0.076 175.172 174.900 0.326 0.000 1.257 1059 G CA -0.327 44.933 45.100 0.267 0.000 0.846 1059 G HN 0.156 nan 8.290 nan 0.000 0.627 1060 L N 0.436 121.784 121.223 0.208 0.000 2.093 1060 L HA 0.111 4.452 4.340 0.001 0.000 0.208 1060 L C 2.638 179.440 176.870 -0.114 0.000 1.085 1060 L CA 2.861 57.566 54.840 -0.226 0.000 0.755 1060 L CB -0.659 41.198 42.059 -0.337 0.000 0.904 1060 L HN 0.723 nan 8.230 nan 0.000 0.435 1061 E N -0.812 119.418 120.200 0.049 0.000 2.005 1061 E HA -0.321 4.029 4.350 0.001 0.000 0.198 1061 E C 2.187 178.847 176.600 0.099 0.000 1.010 1061 E CA 2.057 58.496 56.400 0.065 0.000 0.825 1061 E CB -0.922 28.842 29.700 0.107 0.000 0.769 1061 E HN 0.617 nan 8.360 nan 0.000 0.456 1062 Y N 1.457 121.793 120.300 0.059 0.000 2.256 1062 Y HA -0.200 4.351 4.550 0.001 0.000 0.288 1062 Y C 2.239 178.188 175.900 0.082 0.000 1.155 1062 Y CA 1.901 60.044 58.100 0.071 0.000 1.203 1062 Y CB -0.522 38.007 38.460 0.115 0.000 0.980 1062 Y HN 0.074 nan 8.280 nan 0.000 0.530 1063 G N -0.708 108.236 108.800 0.240 0.000 2.434 1063 G HA2 -0.232 3.729 3.960 0.001 0.000 0.214 1063 G HA3 -0.232 3.729 3.960 0.001 0.000 0.214 1063 G C 1.656 176.580 174.900 0.041 0.000 1.202 1063 G CA 1.329 46.554 45.100 0.208 0.000 0.788 1063 G HN 0.319 nan 8.290 nan 0.000 0.539 1064 V N 1.198 121.077 119.914 -0.059 0.000 2.490 1064 V HA -0.162 3.958 4.120 0.001 0.000 0.250 1064 V C 2.646 178.701 176.094 -0.065 0.000 1.061 1064 V CA 2.199 64.457 62.300 -0.070 0.000 1.064 1064 V CB -0.390 31.366 31.823 -0.113 0.000 0.670 1064 V HN 0.480 nan 8.190 nan 0.000 0.461 1065 K N 0.765 121.107 120.400 -0.096 0.000 1.985 1065 K HA -0.189 4.131 4.320 0.001 0.000 0.210 1065 K C 2.240 178.737 176.600 -0.171 0.000 1.047 1065 K CA 1.747 57.953 56.287 -0.135 0.000 0.932 1065 K CB -0.400 31.994 32.500 -0.178 0.000 0.716 1065 K HN 0.383 nan 8.250 nan 0.000 0.439 1066 A N 1.473 124.144 122.820 -0.249 0.000 1.940 1066 A HA -0.121 4.200 4.320 0.001 0.000 0.219 1066 A C 2.190 179.721 177.584 -0.087 0.000 1.176 1066 A CA 1.406 53.317 52.037 -0.211 0.000 0.631 1066 A CB -0.624 18.231 19.000 -0.241 0.000 0.814 1066 A HN 0.372 nan 8.150 nan 0.000 0.446 1067 L N -1.221 119.989 121.223 -0.020 0.000 2.093 1067 L HA -0.138 4.203 4.340 0.001 0.000 0.208 1067 L C 2.762 179.617 176.870 -0.025 0.000 1.085 1067 L CA 1.541 56.397 54.840 0.026 0.000 0.755 1067 L CB -0.438 41.682 42.059 0.102 0.000 0.904 1067 L HN 0.480 nan 8.230 nan 0.000 0.435 1068 R N 0.826 121.300 120.500 -0.043 0.000 2.096 1068 R HA -0.229 4.112 4.340 0.001 0.000 0.235 1068 R C 2.298 178.552 176.300 -0.077 0.000 1.127 1068 R CA 1.553 57.623 56.100 -0.050 0.000 0.968 1068 R CB -0.006 30.262 30.300 -0.053 0.000 0.861 1068 R HN 0.036 nan 8.270 nan 0.000 0.440 1069 K N 0.110 120.450 120.400 -0.099 0.000 2.097 1069 K HA -0.071 4.250 4.320 0.001 0.000 0.206 1069 K C 1.717 178.231 176.600 -0.144 0.000 1.049 1069 K CA 1.509 57.721 56.287 -0.125 0.000 0.933 1069 K CB -0.161 32.262 32.500 -0.129 0.000 0.717 1069 K HN 0.086 nan 8.250 nan 0.000 0.442 1070 V N 0.768 120.604 119.914 -0.130 0.000 2.379 1070 V HA -0.150 3.971 4.120 0.001 0.000 0.245 1070 V C 2.365 178.423 176.094 -0.059 0.000 1.044 1070 V CA 1.926 64.153 62.300 -0.121 0.000 1.036 1070 V CB -0.430 31.154 31.823 -0.397 0.000 0.664 1070 V HN 0.384 nan 8.190 nan 0.000 0.453 1071 K N -0.158 120.206 120.400 -0.061 0.000 2.211 1071 K HA -0.173 4.147 4.320 0.001 0.000 0.203 1071 K C 2.011 178.586 176.600 -0.041 0.000 1.050 1071 K CA 1.462 57.737 56.287 -0.020 0.000 0.945 1071 K CB 0.050 32.547 32.500 -0.004 0.000 0.732 1071 K HN 0.601 nan 8.250 nan 0.000 0.451 1072 E N -0.193 119.954 120.200 -0.087 0.000 2.102 1072 E HA -0.125 4.226 4.350 0.001 0.000 0.190 1072 E C 1.733 178.224 176.600 -0.182 0.000 0.971 1072 E CA 0.602 56.936 56.400 -0.109 0.000 0.821 1072 E CB 0.148 29.784 29.700 -0.107 0.000 0.777 1072 E HN 0.321 nan 8.360 nan 0.000 0.460 1073 E N -0.368 119.649 120.200 -0.305 0.000 2.208 1073 E HA -0.099 4.251 4.350 0.001 0.000 0.193 1073 E C 0.649 176.785 176.600 -0.772 0.000 0.988 1073 E CA 0.799 56.845 56.400 -0.591 0.000 0.828 1073 E CB 0.254 29.454 29.700 -0.835 0.000 0.763 1073 E HN 0.151 nan 8.360 nan 0.000 0.478 1074 F N -1.578 118.312 119.950 -0.100 0.000 2.817 1074 F HA 0.349 4.876 4.527 0.001 0.000 0.333 1074 F C 1.184 176.946 175.800 -0.063 0.000 1.085 1074 F CA 0.261 58.207 58.000 -0.090 0.000 1.170 1074 F CB 1.172 40.099 39.000 -0.123 0.000 1.066 1074 F HN 0.029 nan 8.300 nan 0.000 0.564 1075 G N 1.939 110.781 108.800 0.069 0.000 2.249 1075 G HA2 -0.310 3.650 3.960 0.001 0.000 0.273 1075 G HA3 -0.310 3.650 3.960 0.001 0.000 0.273 1075 G C -0.020 174.927 174.900 0.078 0.000 1.036 1075 G CA 0.056 45.187 45.100 0.053 0.000 0.824 1075 G HN 0.305 nan 8.290 nan 0.000 0.504 1076 L N -0.235 121.045 121.223 0.096 0.000 2.312 1076 L HA 0.401 4.741 4.340 0.001 0.000 0.281 1076 L C 1.219 178.151 176.870 0.104 0.000 1.070 1076 L CA -0.856 54.047 54.840 0.105 0.000 0.805 1076 L CB 1.040 43.163 42.059 0.107 0.000 1.174 1076 L HN 0.053 nan 8.230 nan 0.000 0.434 1077 K N 2.506 122.974 120.400 0.113 0.000 2.286 1077 K HA 0.288 4.608 4.320 0.001 0.000 0.256 1077 K C -0.577 176.099 176.600 0.127 0.000 0.999 1077 K CA -0.159 56.187 56.287 0.099 0.000 0.908 1077 K CB 0.651 33.202 32.500 0.084 0.000 0.981 1077 K HN 0.303 nan 8.250 nan 0.000 0.500 1078 I N 0.685 121.318 120.570 0.107 0.000 2.689 1078 I HA 0.270 4.441 4.170 0.001 0.000 0.299 1078 I C 0.001 176.174 176.117 0.093 0.000 1.059 1078 I CA -0.381 61.001 61.300 0.136 0.000 1.055 1078 I CB 1.862 39.939 38.000 0.128 0.000 1.243 1078 I HN 0.555 nan 8.210 nan 0.000 0.425 1079 T N 2.912 117.523 114.554 0.095 0.000 2.993 1079 T HA 0.607 4.958 4.350 0.001 0.000 0.312 1079 T C -1.058 173.688 174.700 0.076 0.000 1.115 1079 T CA -0.201 61.932 62.100 0.056 0.000 1.027 1079 T CB 1.460 70.329 68.868 0.002 0.000 1.116 1079 T HN 0.837 nan 8.240 nan 0.000 0.464 1080 T N 2.587 117.194 114.554 0.088 0.000 2.853 1080 T HA 0.565 4.916 4.350 0.001 0.000 0.311 1080 T C -1.933 172.797 174.700 0.050 0.000 1.307 1080 T CA -0.724 61.444 62.100 0.113 0.000 1.019 1080 T CB 1.419 70.441 68.868 0.256 0.000 1.264 1080 T HN 0.780 nan 8.240 nan 0.000 0.497 1081 D N 2.651 123.022 120.400 -0.049 0.000 2.193 1081 D HA 0.526 5.167 4.640 0.001 0.000 0.249 1081 D C 0.305 176.366 176.300 -0.398 0.000 1.034 1081 D CA -0.629 53.244 54.000 -0.212 0.000 0.902 1081 D CB 0.989 41.630 40.800 -0.264 0.000 1.182 1081 D HN 0.758 nan 8.370 nan 0.000 0.436 1082 I N -2.487 117.816 120.570 -0.445 0.000 2.750 1082 I HA 0.504 4.675 4.170 0.001 0.000 0.308 1082 I C -0.376 175.268 176.117 -0.789 0.000 1.016 1082 I CA -0.958 60.066 61.300 -0.459 0.000 1.098 1082 I CB 1.905 39.798 38.000 -0.178 0.000 1.279 1082 I HN 0.302 nan 8.210 nan 0.000 0.454 1083 H N 0.234 119.240 119.070 -0.106 0.000 3.255 1083 H HA 0.457 5.014 4.556 0.001 0.000 0.256 1083 H C -0.592 174.705 175.328 -0.052 0.000 1.049 1083 H CA -0.230 55.772 56.048 -0.076 0.000 1.202 1083 H CB 0.742 30.462 29.762 -0.071 0.000 1.497 1083 H HN 0.592 nan 8.280 nan 0.000 0.503 1084 E N -0.331 119.837 120.200 -0.054 0.000 2.356 1084 E HA 0.272 4.623 4.350 0.001 0.000 0.275 1084 E C 0.073 176.584 176.600 -0.149 0.000 0.904 1084 E CA -0.296 56.087 56.400 -0.028 0.000 0.757 1084 E CB 2.439 32.224 29.700 0.142 0.000 1.232 1084 E HN -0.025 nan 8.360 nan 0.000 0.442 1085 S N 1.531 117.240 115.700 0.015 0.000 2.389 1085 S HA -0.200 4.271 4.470 0.001 0.000 0.231 1085 S C 1.582 176.209 174.600 0.045 0.000 1.052 1085 S CA 1.975 60.197 58.200 0.038 0.000 1.053 1085 S CB -0.306 62.958 63.200 0.107 0.000 0.886 1085 S HN 0.744 nan 8.310 nan 0.000 0.456 1086 W N 1.915 123.250 121.300 0.057 0.000 2.421 1086 W HA -0.084 4.577 4.660 0.001 0.000 0.270 1086 W C 1.152 177.702 176.519 0.052 0.000 1.233 1086 W CA 0.820 58.194 57.345 0.049 0.000 1.226 1086 W CB -0.846 28.641 29.460 0.046 0.000 1.121 1086 W HN 0.419 nan 8.180 nan 0.000 0.579 1087 Q N 0.801 120.191 119.800 -0.683 0.000 2.435 1087 Q HA 0.061 4.402 4.340 0.001 0.000 0.207 1087 Q C 2.611 178.473 176.000 -0.231 0.000 0.956 1087 Q CA 0.998 56.416 55.803 -0.642 0.000 0.917 1087 Q CB -0.208 28.067 28.738 -0.771 0.000 0.997 1087 Q HN 0.313 nan 8.270 nan 0.000 0.497 1088 A N 1.845 124.588 122.820 -0.129 0.000 1.858 1088 A HA -0.275 4.045 4.320 0.001 0.000 0.216 1088 A C 1.989 179.559 177.584 -0.022 0.000 1.190 1088 A CA 1.687 53.692 52.037 -0.054 0.000 0.617 1088 A CB -0.467 18.520 19.000 -0.021 0.000 0.827 1088 A HN 0.422 nan 8.150 nan 0.000 0.443 1089 E N -0.329 119.876 120.200 0.008 0.000 2.017 1089 E HA -0.158 4.193 4.350 0.001 0.000 0.193 1089 E C -0.499 176.107 176.600 0.010 0.000 0.997 1089 E CA 1.485 57.899 56.400 0.023 0.000 0.804 1089 E CB -0.634 29.098 29.700 0.052 0.000 0.757 1089 E HN 0.476 nan 8.360 nan 0.000 0.448 1090 P HA -0.131 nan 4.420 nan 0.000 0.216 1090 P C 1.614 178.882 177.300 -0.055 0.000 1.150 1090 P CA 1.056 64.151 63.100 -0.009 0.000 0.837 1090 P CB 0.008 31.717 31.700 0.015 0.000 0.786 1091 V N 0.817 120.682 119.914 -0.082 0.000 2.453 1091 V HA -0.137 3.984 4.120 0.001 0.000 0.247 1091 V C 2.769 178.850 176.094 -0.021 0.000 1.048 1091 V CA 1.835 64.089 62.300 -0.076 0.000 1.049 1091 V CB -1.596 30.195 31.823 -0.054 0.000 0.672 1091 V HN 0.092 nan 8.190 nan 0.000 0.457 1092 A N -0.389 122.425 122.820 -0.010 0.000 2.186 1092 A HA -0.179 4.142 4.320 0.001 0.000 0.219 1092 A C 2.078 179.666 177.584 0.007 0.000 1.159 1092 A CA 1.294 53.334 52.037 0.006 0.000 0.680 1092 A CB -0.328 18.677 19.000 0.009 0.000 0.787 1092 A HN 0.556 nan 8.150 nan 0.000 0.467 1093 E N -0.423 119.776 120.200 -0.002 0.000 2.153 1093 E HA -0.096 4.254 4.350 0.001 0.000 0.194 1093 E C 1.704 178.306 176.600 0.002 0.000 0.988 1093 E CA 1.595 57.995 56.400 -0.001 0.000 0.811 1093 E CB -0.157 29.538 29.700 -0.009 0.000 0.746 1093 E HN 0.501 nan 8.360 nan 0.000 0.466 1094 V N -0.113 119.804 119.914 0.004 0.000 3.359 1094 V HA 0.239 4.360 4.120 0.001 0.000 0.245 1094 V C 0.847 176.961 176.094 0.034 0.000 1.247 1094 V CA 0.395 62.704 62.300 0.014 0.000 1.145 1094 V CB 0.308 32.137 31.823 0.009 0.000 0.906 1094 V HN 0.064 nan 8.190 nan 0.000 0.464 1095 A N 0.886 123.729 122.820 0.038 0.000 2.451 1095 A HA 0.190 4.511 4.320 0.001 0.000 0.266 1095 A C 0.937 178.549 177.584 0.046 0.000 1.119 1095 A CA 0.003 52.072 52.037 0.053 0.000 0.786 1095 A CB -0.123 18.912 19.000 0.059 0.000 1.061 1095 A HN 0.405 nan 8.150 nan 0.000 0.503 1096 D N 1.700 122.131 120.400 0.051 0.000 2.234 1096 D HA 0.035 4.676 4.640 0.001 0.000 0.205 1096 D C 0.204 176.535 176.300 0.051 0.000 0.962 1096 D CA 1.418 55.447 54.000 0.049 0.000 0.855 1096 D CB 0.251 41.083 40.800 0.053 0.000 0.951 1096 D HN 0.579 nan 8.370 nan 0.000 0.500 1097 I N 1.404 121.998 120.570 0.040 0.000 2.499 1097 I HA 0.269 4.440 4.170 0.001 0.000 0.288 1097 I C -0.431 175.704 176.117 0.030 0.000 1.048 1097 I CA -0.620 60.701 61.300 0.035 0.000 1.062 1097 I CB 2.793 40.779 38.000 -0.023 0.000 1.238 1097 I HN -0.310 nan 8.210 nan 0.000 0.426 1098 I N 5.661 126.252 120.570 0.034 0.000 2.315 1098 I HA 0.222 4.393 4.170 0.001 0.000 0.291 1098 I C 0.097 176.214 176.117 -0.000 0.000 1.006 1098 I CA -0.267 61.044 61.300 0.017 0.000 1.265 1098 I CB 1.329 39.336 38.000 0.012 0.000 1.387 1098 I HN 0.585 nan 8.210 nan 0.000 0.475 1099 Q N 6.502 126.288 119.800 -0.023 0.000 2.257 1099 Q HA 0.400 4.741 4.340 0.001 0.000 0.255 1099 Q C -1.060 174.877 176.000 -0.105 0.000 0.920 1099 Q CA -0.726 55.045 55.803 -0.053 0.000 0.927 1099 Q CB 1.375 30.088 28.738 -0.042 0.000 1.229 1099 Q HN 0.479 nan 8.270 nan 0.000 0.433 1100 I N 6.778 127.288 120.570 -0.100 0.000 2.312 1100 I HA 0.327 4.498 4.170 0.001 0.000 0.290 1100 I C -2.159 173.872 176.117 -0.144 0.000 1.008 1100 I CA -2.589 58.645 61.300 -0.112 0.000 1.226 1100 I CB 0.851 38.813 38.000 -0.063 0.000 1.371 1100 I HN 0.503 nan 8.210 nan 0.000 0.468 1101 P HA 0.042 nan 4.420 nan 0.000 0.268 1101 P C 0.622 177.820 177.300 -0.169 0.000 1.208 1101 P CA 0.129 63.117 63.100 -0.188 0.000 0.777 1101 P CB 0.897 32.525 31.700 -0.121 0.000 0.875 1102 A N 2.466 125.114 122.820 -0.288 0.000 1.883 1102 A HA -0.215 4.106 4.320 0.001 0.000 0.217 1102 A C 1.702 179.267 177.584 -0.033 0.000 1.186 1102 A CA 1.728 53.605 52.037 -0.268 0.000 0.624 1102 A CB -1.678 17.073 19.000 -0.416 0.000 0.822 1102 A HN 0.508 nan 8.150 nan 0.000 0.444 1103 F N -0.154 119.816 119.950 0.032 0.000 2.307 1103 F HA -0.039 4.488 4.527 0.001 0.000 0.301 1103 F C 1.666 177.583 175.800 0.195 0.000 1.076 1103 F CA 0.514 58.634 58.000 0.200 0.000 1.383 1103 F CB -0.631 38.442 39.000 0.121 0.000 1.055 1103 F HN 0.108 nan 8.300 nan 0.000 0.526 1104 L N -0.552 120.825 121.223 0.256 0.000 2.667 1104 L HA 0.067 4.408 4.340 0.001 0.000 0.232 1104 L C 2.040 178.979 176.870 0.115 0.000 1.138 1104 L CA -0.005 54.932 54.840 0.162 0.000 0.921 1104 L CB -0.721 41.392 42.059 0.090 0.000 1.180 1104 L HN 0.251 nan 8.230 nan 0.000 0.487 1105 C N -1.029 118.340 119.300 0.115 0.000 2.413 1105 C HA -0.045 4.416 4.460 0.001 0.000 0.292 1105 C C 2.217 177.259 174.990 0.087 0.000 1.435 1105 C CA 0.071 59.123 59.018 0.055 0.000 1.791 1105 C CB -0.876 26.852 27.740 -0.020 0.000 1.784 1105 C HN 0.446 nan 8.230 nan 0.000 0.548 1106 R N 0.011 120.599 120.500 0.147 0.000 2.397 1106 R HA 0.168 4.509 4.340 0.001 0.000 0.241 1106 R C 0.137 176.473 176.300 0.060 0.000 0.914 1106 R CA 0.102 56.265 56.100 0.105 0.000 1.071 1106 R CB -0.122 30.261 30.300 0.138 0.000 1.116 1106 R HN 0.594 nan 8.270 nan 0.000 0.524 1107 Q N 1.298 121.135 119.800 0.061 0.000 2.402 1107 Q HA 0.099 4.440 4.340 0.001 0.000 0.238 1107 Q C 0.794 176.814 176.000 0.034 0.000 1.126 1107 Q CA 0.181 56.010 55.803 0.043 0.000 0.904 1107 Q CB 0.852 29.620 28.738 0.050 0.000 1.357 1107 Q HN 0.035 nan 8.270 nan 0.000 0.491 1108 T N 1.560 116.128 114.554 0.024 0.000 2.649 1108 T HA -0.201 4.149 4.350 0.001 0.000 0.268 1108 T C 0.894 175.616 174.700 0.036 0.000 1.036 1108 T CA 1.913 64.026 62.100 0.021 0.000 1.157 1108 T CB 0.081 68.951 68.868 0.004 0.000 0.861 1108 T HN 0.491 nan 8.240 nan 0.000 0.445 1109 D N 0.496 120.919 120.400 0.040 0.000 2.178 1109 D HA -0.003 4.638 4.640 0.001 0.000 0.202 1109 D C 2.010 178.338 176.300 0.046 0.000 0.974 1109 D CA 0.416 54.446 54.000 0.050 0.000 0.841 1109 D CB -0.358 40.475 40.800 0.055 0.000 0.953 1109 D HN 0.204 nan 8.370 nan 0.000 0.478 1110 L N 0.561 121.806 121.223 0.036 0.000 2.056 1110 L HA -0.054 4.287 4.340 0.001 0.000 0.207 1110 L C 2.142 179.021 176.870 0.015 0.000 1.078 1110 L CA 1.251 56.102 54.840 0.018 0.000 0.749 1110 L CB -0.466 41.599 42.059 0.011 0.000 0.901 1110 L HN -0.028 nan 8.230 nan 0.000 0.433 1111 L N -1.442 119.796 121.223 0.025 0.000 2.093 1111 L HA -0.212 4.128 4.340 0.001 0.000 0.208 1111 L C 2.439 179.335 176.870 0.044 0.000 1.085 1111 L CA 1.108 55.965 54.840 0.029 0.000 0.755 1111 L CB -0.517 41.561 42.059 0.032 0.000 0.904 1111 L HN 0.277 nan 8.230 nan 0.000 0.435 1112 L N -0.517 120.741 121.223 0.058 0.000 2.056 1112 L HA -0.139 4.202 4.340 0.001 0.000 0.207 1112 L C 2.878 179.780 176.870 0.053 0.000 1.078 1112 L CA 1.044 55.929 54.840 0.076 0.000 0.749 1112 L CB -0.735 41.385 42.059 0.101 0.000 0.901 1112 L HN 0.215 nan 8.230 nan 0.000 0.433 1113 A N 0.088 122.935 122.820 0.045 0.000 1.972 1113 A HA -0.154 4.166 4.320 0.001 0.000 0.219 1113 A C 2.501 180.098 177.584 0.022 0.000 1.169 1113 A CA 1.744 53.802 52.037 0.035 0.000 0.635 1113 A CB -0.574 18.446 19.000 0.033 0.000 0.810 1113 A HN 0.410 nan 8.150 nan 0.000 0.446 1114 A N -0.206 122.624 122.820 0.017 0.000 1.872 1114 A HA 0.255 4.576 4.320 0.001 0.000 0.214 1114 A C 2.510 180.108 177.584 0.022 0.000 1.187 1114 A CA 1.797 53.841 52.037 0.012 0.000 0.614 1114 A CB -1.026 17.978 19.000 0.007 0.000 0.826 1114 A HN 1.014 nan 8.150 nan 0.000 0.442 1115 A N -0.041 122.796 122.820 0.029 0.000 1.908 1115 A HA -0.197 4.124 4.320 0.001 0.000 0.218 1115 A C 2.138 179.733 177.584 0.019 0.000 1.181 1115 A CA 2.031 54.085 52.037 0.029 0.000 0.627 1115 A CB -0.501 18.521 19.000 0.037 0.000 0.818 1115 A HN 0.538 nan 8.150 nan 0.000 0.445 1116 K N -0.127 120.284 120.400 0.019 0.000 2.152 1116 K HA -0.175 4.146 4.320 0.001 0.000 0.206 1116 K C 1.974 178.581 176.600 0.012 0.000 1.048 1116 K CA 1.948 58.242 56.287 0.012 0.000 0.933 1116 K CB -0.392 32.120 32.500 0.018 0.000 0.721 1116 K HN 0.648 nan 8.250 nan 0.000 0.447 1117 T N -3.012 111.552 114.554 0.016 0.000 3.025 1117 T HA -0.008 4.343 4.350 0.001 0.000 0.270 1117 T C 1.495 176.204 174.700 0.016 0.000 1.126 1117 T CA 1.293 63.403 62.100 0.016 0.000 1.105 1117 T CB -0.375 68.502 68.868 0.016 0.000 0.884 1117 T HN 0.483 nan 8.240 nan 0.000 0.522 1118 G N 1.251 110.061 108.800 0.016 0.000 2.253 1118 G HA2 -0.263 3.698 3.960 0.001 0.000 0.251 1118 G HA3 -0.263 3.698 3.960 0.001 0.000 0.251 1118 G C 0.451 175.367 174.900 0.026 0.000 0.998 1118 G CA 0.039 45.148 45.100 0.016 0.000 0.621 1118 G HN 0.647 nan 8.290 nan 0.000 0.524 1119 R N 0.961 121.479 120.500 0.030 0.000 2.822 1119 R HA 0.639 4.979 4.340 0.001 0.000 0.277 1119 R C 0.953 177.287 176.300 0.057 0.000 1.102 1119 R CA 0.378 56.504 56.100 0.042 0.000 1.207 1119 R CB -0.321 30.003 30.300 0.039 0.000 1.139 1119 R HN 0.798 nan 8.270 nan 0.000 0.557 1120 A N 0.582 123.452 122.820 0.082 0.000 2.322 1120 A HA 0.453 4.774 4.320 0.001 0.000 0.269 1120 A C -0.387 177.271 177.584 0.125 0.000 1.094 1120 A CA -0.467 51.648 52.037 0.129 0.000 0.807 1120 A CB 0.701 19.830 19.000 0.216 0.000 1.047 1120 A HN 0.314 nan 8.150 nan 0.000 0.487 1121 V N 2.339 122.343 119.914 0.150 0.000 2.588 1121 V HA 0.365 4.486 4.120 0.001 0.000 0.304 1121 V C -0.087 176.114 176.094 0.177 0.000 1.042 1121 V CA -0.741 61.629 62.300 0.117 0.000 0.877 1121 V CB 1.667 33.532 31.823 0.070 0.000 0.996 1121 V HN 0.970 nan 8.190 nan 0.000 0.425 1122 N N 3.334 122.099 118.700 0.109 0.000 2.479 1122 N HA 0.548 5.289 4.740 0.001 0.000 0.261 1122 N C -1.323 174.196 175.510 0.015 0.000 0.979 1122 N CA -0.397 52.710 53.050 0.095 0.000 0.930 1122 N CB 1.729 40.213 38.487 -0.005 0.000 1.172 1122 N HN 0.458 nan 8.380 nan 0.000 0.499 1123 V N 3.838 123.762 119.914 0.017 0.000 2.407 1123 V HA 0.260 4.381 4.120 0.001 0.000 0.278 1123 V C 0.264 176.304 176.094 -0.090 0.000 1.037 1123 V CA -0.729 61.548 62.300 -0.037 0.000 0.900 1123 V CB 1.172 32.985 31.823 -0.017 0.000 0.983 1123 V HN 0.568 nan 8.190 nan 0.000 0.459 1124 K N 3.899 124.205 120.400 -0.156 0.000 2.349 1124 K HA 0.180 4.501 4.320 0.001 0.000 0.288 1124 K C 0.099 176.569 176.600 -0.215 0.000 1.058 1124 K CA -0.210 55.938 56.287 -0.231 0.000 0.953 1124 K CB 0.771 33.081 32.500 -0.316 0.000 0.997 1124 K HN 0.610 nan 8.250 nan 0.000 0.477 1125 K N 1.926 122.197 120.400 -0.215 0.000 2.402 1125 K HA 0.066 4.387 4.320 0.001 0.000 0.285 1125 K C 0.330 176.720 176.600 -0.350 0.000 1.054 1125 K CA -0.101 56.045 56.287 -0.235 0.000 1.001 1125 K CB 0.342 32.725 32.500 -0.194 0.000 0.946 1125 K HN 0.702 nan 8.250 nan 0.000 0.473 1126 G N 3.259 111.760 108.800 -0.499 0.000 2.474 1126 G HA2 -0.120 3.841 3.960 0.001 0.000 0.233 1126 G HA3 -0.120 3.841 3.960 0.001 0.000 0.233 1126 G C 0.193 174.631 174.900 -0.769 0.000 1.278 1126 G CA -0.374 44.195 45.100 -0.886 0.000 0.861 1126 G HN 0.807 nan 8.290 nan 0.000 0.567 1127 Q N 0.640 120.137 119.800 -0.504 0.000 2.437 1127 Q HA -0.015 4.326 4.340 0.001 0.000 0.210 1127 Q C 1.663 177.591 176.000 -0.121 0.000 0.972 1127 Q CA 1.260 56.943 55.803 -0.200 0.000 0.903 1127 Q CB -0.140 28.613 28.738 0.025 0.000 0.967 1127 Q HN 0.819 nan 8.270 nan 0.000 0.486 1128 F N -2.760 117.206 119.950 0.026 0.000 2.749 1128 F HA 0.335 4.862 4.527 0.001 0.000 0.300 1128 F C 0.305 176.089 175.800 -0.028 0.000 1.103 1128 F CA -0.848 57.156 58.000 0.007 0.000 1.342 1128 F CB -0.045 38.965 39.000 0.017 0.000 1.098 1128 F HN -0.117 nan 8.300 nan 0.000 0.586 1129 L N 1.903 122.987 121.223 -0.232 0.000 2.350 1129 L HA 0.699 5.040 4.340 0.001 0.000 0.275 1129 L C 0.267 177.006 176.870 -0.219 0.000 1.099 1129 L CA -1.039 53.714 54.840 -0.145 0.000 0.808 1129 L CB 0.977 42.878 42.059 -0.263 0.000 1.149 1129 L HN 0.224 nan 8.230 nan 0.000 0.442 1130 A N 5.731 128.385 122.820 -0.276 0.000 2.302 1130 A HA 0.561 4.882 4.320 0.001 0.000 0.285 1130 A C -1.831 175.329 177.584 -0.707 0.000 1.105 1130 A CA -1.158 50.510 52.037 -0.615 0.000 0.816 1130 A CB -0.005 18.509 19.000 -0.811 0.000 1.067 1130 A HN 0.743 nan 8.150 nan 0.000 0.489 1131 P HA -0.197 nan 4.420 nan 0.000 0.215 1131 P C 0.995 178.252 177.300 -0.071 0.000 1.157 1131 P CA 2.259 65.127 63.100 -0.387 0.000 0.874 1131 P CB -0.141 31.365 31.700 -0.323 0.000 0.790 1132 W N -0.355 121.085 121.300 0.232 0.000 2.425 1132 W HA -0.017 4.644 4.660 0.002 0.000 0.277 1132 W C 1.046 177.603 176.519 0.064 0.000 1.231 1132 W CA 0.683 58.214 57.345 0.310 0.000 1.248 1132 W CB -1.939 27.657 29.460 0.228 0.000 1.117 1132 W HN -0.114 nan 8.180 nan 0.000 0.568 1133 D N 0.925 121.323 120.400 -0.004 0.000 2.378 1133 D HA -0.120 4.521 4.640 0.001 0.000 0.222 1133 D C 2.025 178.271 176.300 -0.089 0.000 0.980 1133 D CA 1.880 55.872 54.000 -0.014 0.000 0.907 1133 D CB -0.482 40.302 40.800 -0.027 0.000 0.899 1133 D HN 0.411 nan 8.370 nan 0.000 0.527 1134 T N -2.200 112.309 114.554 -0.075 0.000 3.088 1134 T HA -0.019 4.332 4.350 0.001 0.000 0.259 1134 T C 1.692 176.182 174.700 -0.349 0.000 1.122 1134 T CA 0.291 62.340 62.100 -0.085 0.000 1.095 1134 T CB 0.239 69.168 68.868 0.102 0.000 0.930 1134 T HN 0.061 nan 8.240 nan 0.000 0.508 1135 K N 1.669 121.602 120.400 -0.779 0.000 2.063 1135 K HA -0.138 4.183 4.320 0.001 0.000 0.208 1135 K C 2.050 178.316 176.600 -0.556 0.000 1.048 1135 K CA 1.737 57.247 56.287 -1.296 0.000 0.928 1135 K CB -0.349 31.255 32.500 -1.494 0.000 0.713 1135 K HN 0.510 nan 8.250 nan 0.000 0.442 1136 N N -0.220 118.277 118.700 -0.340 0.000 2.244 1136 N HA -0.131 4.610 4.740 0.001 0.000 0.183 1136 N C 1.700 177.132 175.510 -0.131 0.000 1.016 1136 N CA 0.871 53.809 53.050 -0.188 0.000 0.866 1136 N CB 0.127 38.541 38.487 -0.123 0.000 0.980 1136 N HN -0.032 nan 8.380 nan 0.000 0.430 1137 V N 0.789 120.629 119.914 -0.123 0.000 2.261 1137 V HA -0.206 3.915 4.120 0.001 0.000 0.246 1137 V C 2.275 178.341 176.094 -0.047 0.000 1.047 1137 V CA 1.375 63.638 62.300 -0.062 0.000 1.015 1137 V CB -0.483 31.314 31.823 -0.043 0.000 0.642 1137 V HN 0.132 nan 8.190 nan 0.000 0.446 1138 V N 0.086 119.956 119.914 -0.073 0.000 2.287 1138 V HA -0.342 3.779 4.120 0.001 0.000 0.248 1138 V C 2.492 178.579 176.094 -0.012 0.000 1.053 1138 V CA 2.489 64.774 62.300 -0.024 0.000 1.027 1138 V CB -0.675 31.140 31.823 -0.013 0.000 0.646 1138 V HN 0.721 nan 8.190 nan 0.000 0.447 1139 E N 0.107 120.277 120.200 -0.050 0.000 2.118 1139 E HA -0.274 4.077 4.350 0.001 0.000 0.195 1139 E C 2.244 178.872 176.600 0.046 0.000 0.992 1139 E CA 1.449 57.844 56.400 -0.009 0.000 0.804 1139 E CB -0.058 29.610 29.700 -0.053 0.000 0.741 1139 E HN 0.595 nan 8.360 nan 0.000 0.458 1140 K N 0.149 120.560 120.400 0.018 0.000 2.057 1140 K HA -0.110 4.210 4.320 0.001 0.000 0.207 1140 K C 2.294 178.972 176.600 0.130 0.000 1.049 1140 K CA 1.225 57.546 56.287 0.058 0.000 0.931 1140 K CB -0.092 32.417 32.500 0.015 0.000 0.714 1140 K HN 0.213 nan 8.250 nan 0.000 0.440 1141 L N 1.076 122.346 121.223 0.079 0.000 2.056 1141 L HA -0.199 4.142 4.340 0.001 0.000 0.207 1141 L C 2.309 179.226 176.870 0.079 0.000 1.078 1141 L CA 1.361 56.245 54.840 0.073 0.000 0.749 1141 L CB -0.337 41.750 42.059 0.047 0.000 0.901 1141 L HN 0.145 nan 8.230 nan 0.000 0.433 1142 K N -0.461 119.987 120.400 0.080 0.000 2.057 1142 K HA -0.218 4.103 4.320 0.001 0.000 0.207 1142 K C 2.096 178.746 176.600 0.083 0.000 1.049 1142 K CA 1.587 57.914 56.287 0.067 0.000 0.931 1142 K CB -0.342 32.198 32.500 0.066 0.000 0.714 1142 K HN 0.084 nan 8.250 nan 0.000 0.440 1143 F N 1.419 121.366 119.950 -0.004 0.000 2.126 1143 F HA -0.136 4.391 4.527 0.001 0.000 0.299 1143 F C 1.901 177.702 175.800 0.002 0.000 1.096 1143 F CA 1.769 59.768 58.000 -0.002 0.000 1.255 1143 F CB -0.441 38.556 39.000 -0.005 0.000 0.997 1143 F HN 0.001 nan 8.300 nan 0.000 0.479 1144 G N -1.160 107.697 108.800 0.094 0.000 2.848 1144 G HA2 0.267 4.227 3.960 0.001 0.000 0.208 1144 G HA3 0.267 4.227 3.960 0.001 0.000 0.208 1144 G C 1.213 176.085 174.900 -0.047 0.000 1.152 1144 G CA 0.323 45.430 45.100 0.012 0.000 0.789 1144 G HN 1.024 nan 8.290 nan 0.000 0.531 1145 G N -1.431 107.332 108.800 -0.060 0.000 2.132 1145 G HA2 0.146 4.107 3.960 0.001 0.000 0.228 1145 G HA3 0.146 4.107 3.960 0.001 0.000 0.228 1145 G C 0.389 175.281 174.900 -0.013 0.000 1.000 1145 G CA 0.105 45.175 45.100 -0.049 0.000 0.693 1145 G HN 1.289 nan 8.290 nan 0.000 0.515 1146 A N -0.550 122.274 122.820 0.006 0.000 2.363 1146 A HA 0.772 5.093 4.320 0.001 0.000 0.270 1146 A C 1.062 178.650 177.584 0.007 0.000 1.121 1146 A CA 0.851 52.897 52.037 0.014 0.000 0.800 1146 A CB 0.578 19.595 19.000 0.027 0.000 1.052 1146 A HN 0.400 nan 8.150 nan 0.000 0.493 1147 K N 0.652 121.055 120.400 0.004 0.000 2.367 1147 K HA 0.115 4.436 4.320 0.001 0.000 0.198 1147 K C 0.275 176.859 176.600 -0.027 0.000 1.132 1147 K CA 0.429 56.712 56.287 -0.006 0.000 0.941 1147 K CB 0.498 32.998 32.500 -0.000 0.000 1.052 1147 K HN 0.771 nan 8.250 nan 0.000 0.507 1148 E N 1.797 121.985 120.200 -0.020 0.000 2.063 1148 E HA 0.292 4.643 4.350 0.001 0.000 0.265 1148 E C -1.298 175.251 176.600 -0.084 0.000 0.919 1148 E CA -0.231 56.124 56.400 -0.075 0.000 0.756 1148 E CB 0.609 30.325 29.700 0.027 0.000 1.120 1148 E HN 0.085 nan 8.360 nan 0.000 0.414 1149 I N 4.454 124.903 120.570 -0.202 0.000 2.406 1149 I HA 0.335 4.506 4.170 0.001 0.000 0.290 1149 I C -1.054 174.922 176.117 -0.235 0.000 0.999 1149 I CA -0.808 60.428 61.300 -0.106 0.000 1.124 1149 I CB 1.017 39.001 38.000 -0.027 0.000 1.289 1149 I HN 0.462 nan 8.210 nan 0.000 0.441 1150 Y N 5.757 126.068 120.300 0.018 0.000 2.485 1150 Y HA 0.656 5.207 4.550 0.001 0.000 0.345 1150 Y C -0.467 175.436 175.900 0.004 0.000 0.998 1150 Y CA -0.847 57.258 58.100 0.008 0.000 1.059 1150 Y CB 1.846 40.301 38.460 -0.007 0.000 1.234 1150 Y HN 0.275 nan 8.280 nan 0.000 0.461 1151 L N 2.527 123.849 121.223 0.165 0.000 2.333 1151 L HA 0.583 4.924 4.340 0.001 0.000 0.280 1151 L C -0.670 176.222 176.870 0.037 0.000 1.004 1151 L CA -0.550 54.338 54.840 0.081 0.000 0.820 1151 L CB 2.049 44.164 42.059 0.093 0.000 1.247 1151 L HN 0.647 nan 8.230 nan 0.000 0.416 1152 T N 1.249 115.779 114.554 -0.040 0.000 2.779 1152 T HA 0.233 4.584 4.350 0.001 0.000 0.280 1152 T C -0.344 174.272 174.700 -0.140 0.000 0.987 1152 T CA -0.448 61.591 62.100 -0.101 0.000 0.966 1152 T CB 1.581 70.322 68.868 -0.211 0.000 0.933 1152 T HN 0.416 nan 8.240 nan 0.000 0.442 1153 E N 2.703 122.845 120.200 -0.097 0.000 2.223 1153 E HA 0.286 4.637 4.350 0.001 0.000 0.282 1153 E C 0.420 176.902 176.600 -0.197 0.000 1.046 1153 E CA -0.553 55.784 56.400 -0.106 0.000 0.857 1153 E CB 0.440 30.143 29.700 0.006 0.000 1.055 1153 E HN 0.617 nan 8.360 nan 0.000 0.409 1154 R N 3.109 123.475 120.500 -0.224 0.000 2.615 1154 R HA 0.506 4.846 4.340 0.001 0.000 0.448 1154 R C 0.136 176.330 176.300 -0.177 0.000 1.009 1154 R CA -0.206 55.745 56.100 -0.249 0.000 1.111 1154 R CB 0.103 30.218 30.300 -0.308 0.000 1.461 1154 R HN 0.650 nan 8.270 nan 0.000 0.587 1155 G N 0.026 108.732 108.800 -0.157 0.000 2.690 1155 G HA2 -0.049 3.912 3.960 0.001 0.000 0.686 1155 G HA3 -0.049 3.912 3.960 0.001 0.000 0.686 1155 G C -0.858 173.968 174.900 -0.122 0.000 1.277 1155 G CA -0.444 44.580 45.100 -0.126 0.000 0.799 1155 G HN 0.197 nan 8.290 nan 0.000 0.613 1156 T N 0.956 115.457 114.554 -0.089 0.000 2.876 1156 T HA 0.652 5.002 4.350 0.001 0.000 0.289 1156 T C 0.444 175.165 174.700 0.035 0.000 1.014 1156 T CA -0.019 62.047 62.100 -0.057 0.000 0.986 1156 T CB 1.682 70.502 68.868 -0.080 0.000 1.021 1156 T HN 0.895 nan 8.240 nan 0.000 0.458 1157 T N 2.990 117.585 114.554 0.068 0.000 2.866 1157 T HA 0.137 4.488 4.350 0.001 0.000 0.293 1157 T C -0.694 174.116 174.700 0.183 0.000 1.005 1157 T CA 0.515 62.688 62.100 0.122 0.000 1.162 1157 T CB -0.424 68.516 68.868 0.120 0.000 0.968 1157 T HN 0.425 nan 8.240 nan 0.000 0.530 1158 F N 3.970 123.912 119.950 -0.013 0.000 2.686 1158 F HA 0.522 5.049 4.527 0.001 0.000 0.365 1158 F C 0.714 176.481 175.800 -0.055 0.000 1.196 1158 F CA 0.052 58.031 58.000 -0.036 0.000 1.198 1158 F CB -0.170 38.811 39.000 -0.031 0.000 1.454 1158 F HN 0.930 nan 8.300 nan 0.000 0.539 1159 G N 2.647 111.232 108.800 -0.359 0.000 2.553 1159 G HA2 -0.283 3.678 3.960 0.001 0.000 0.242 1159 G HA3 -0.283 3.678 3.960 0.001 0.000 0.242 1159 G C -1.327 173.408 174.900 -0.274 0.000 1.277 1159 G CA -0.343 44.472 45.100 -0.476 0.000 0.910 1159 G HN 0.461 nan 8.290 nan 0.000 0.576 1160 Y N 1.714 121.977 120.300 -0.062 0.000 2.334 1160 Y HA 0.490 5.041 4.550 0.001 0.000 0.328 1160 Y C 1.407 177.316 175.900 0.015 0.000 1.130 1160 Y CA -0.578 57.514 58.100 -0.014 0.000 1.163 1160 Y CB 0.990 39.440 38.460 -0.017 0.000 1.207 1160 Y HN 0.642 nan 8.280 nan 0.000 0.471 1161 N N 2.016 120.848 118.700 0.221 0.000 2.716 1161 N HA -0.325 4.416 4.740 0.001 0.000 0.250 1161 N C -0.803 174.787 175.510 0.133 0.000 1.033 1161 N CA 1.018 54.156 53.050 0.147 0.000 0.727 1161 N CB -1.044 37.513 38.487 0.117 0.000 0.950 1161 N HN 0.886 nan 8.380 nan 0.000 0.541 1162 N N -0.293 118.492 118.700 0.142 0.000 2.446 1162 N HA 0.479 5.219 4.740 0.001 0.000 0.272 1162 N C -1.528 174.082 175.510 0.168 0.000 1.127 1162 N CA -0.514 52.627 53.050 0.152 0.000 0.896 1162 N CB 1.513 40.108 38.487 0.179 0.000 1.658 1162 N HN -0.009 nan 8.380 nan 0.000 0.483 1163 L N 2.156 123.457 121.223 0.130 0.000 2.381 1163 L HA 0.694 5.035 4.340 0.001 0.000 0.268 1163 L C -0.681 176.200 176.870 0.017 0.000 0.997 1163 L CA -1.005 53.886 54.840 0.085 0.000 0.818 1163 L CB 2.070 44.152 42.059 0.038 0.000 1.310 1163 L HN 0.272 nan 8.230 nan 0.000 0.416 1164 V N 2.980 122.858 119.914 -0.060 0.000 2.769 1164 V HA 0.545 4.666 4.120 0.001 0.000 0.312 1164 V C -0.729 175.248 176.094 -0.195 0.000 1.061 1164 V CA -0.507 61.663 62.300 -0.217 0.000 0.931 1164 V CB 2.565 34.066 31.823 -0.538 0.000 1.010 1164 V HN 0.414 nan 8.190 nan 0.000 0.433 1165 V N 5.200 124.985 119.914 -0.215 0.000 2.350 1165 V HA 0.362 4.482 4.120 0.001 0.000 0.276 1165 V C -0.231 175.642 176.094 -0.369 0.000 1.028 1165 V CA -0.445 61.652 62.300 -0.339 0.000 0.860 1165 V CB 1.396 32.916 31.823 -0.506 0.000 0.990 1165 V HN 0.912 nan 8.190 nan 0.000 0.453 1166 D N 4.196 124.410 120.400 -0.310 0.000 2.441 1166 D HA 0.224 4.865 4.640 0.001 0.000 0.221 1166 D C 0.716 176.893 176.300 -0.204 0.000 1.156 1166 D CA -0.355 53.535 54.000 -0.183 0.000 0.896 1166 D CB 0.509 41.228 40.800 -0.135 0.000 1.028 1166 D HN 0.410 nan 8.370 nan 0.000 0.509 1167 F N 1.901 121.806 119.950 -0.075 0.000 2.583 1167 F HA -0.017 4.510 4.527 0.001 0.000 0.297 1167 F C 2.236 177.999 175.800 -0.060 0.000 1.131 1167 F CA 0.454 58.405 58.000 -0.081 0.000 1.467 1167 F CB 0.036 38.972 39.000 -0.106 0.000 1.097 1167 F HN 0.273 nan 8.300 nan 0.000 0.586 1168 R N -0.307 120.240 120.500 0.079 0.000 2.189 1168 R HA -0.121 4.220 4.340 0.001 0.000 0.223 1168 R C 2.471 178.788 176.300 0.027 0.000 1.092 1168 R CA 1.275 57.413 56.100 0.063 0.000 0.989 1168 R CB -0.478 29.870 30.300 0.079 0.000 0.876 1168 R HN 0.340 nan 8.270 nan 0.000 0.457 1169 S N 0.519 116.202 115.700 -0.028 0.000 2.423 1169 S HA -0.099 4.371 4.470 0.001 0.000 0.231 1169 S C 1.842 176.413 174.600 -0.047 0.000 1.014 1169 S CA 0.681 58.846 58.200 -0.058 0.000 0.965 1169 S CB -0.128 63.000 63.200 -0.120 0.000 0.785 1169 S HN 0.058 nan 8.310 nan 0.000 0.495 1170 L N 2.776 123.982 121.223 -0.029 0.000 1.970 1170 L HA 0.045 4.385 4.340 0.001 0.000 0.212 1170 L C -0.378 176.451 176.870 -0.068 0.000 1.071 1170 L CA 1.925 56.748 54.840 -0.028 0.000 0.751 1170 L CB -1.598 40.469 42.059 0.013 0.000 0.889 1170 L HN 0.258 nan 8.230 nan 0.000 0.432 1171 P HA -0.146 nan 4.420 nan 0.000 0.218 1171 P C 2.060 179.271 177.300 -0.148 0.000 1.149 1171 P CA 1.580 64.626 63.100 -0.089 0.000 0.817 1171 P CB 0.076 31.749 31.700 -0.046 0.000 0.785 1172 I N -0.765 119.738 120.570 -0.112 0.000 2.202 1172 I HA -0.199 3.971 4.170 0.001 0.000 0.242 1172 I C 2.740 178.591 176.117 -0.443 0.000 1.091 1172 I CA 1.543 62.744 61.300 -0.165 0.000 1.368 1172 I CB -0.607 37.431 38.000 0.063 0.000 1.058 1172 I HN -0.153 nan 8.210 nan 0.000 0.410 1173 M N 0.103 119.541 119.600 -0.270 0.000 2.319 1173 M HA -0.153 4.328 4.480 0.001 0.000 0.265 1173 M C 2.120 178.125 176.300 -0.492 0.000 1.068 1173 M CA 1.145 56.264 55.300 -0.301 0.000 1.118 1173 M CB -0.333 32.262 32.600 -0.007 0.000 1.395 1173 M HN -0.014 nan 8.290 nan 0.000 0.435 1174 K N 1.132 121.323 120.400 -0.348 0.000 2.442 1174 K HA -0.130 4.191 4.320 0.001 0.000 0.198 1174 K C 1.621 178.009 176.600 -0.352 0.000 1.044 1174 K CA 1.347 57.476 56.287 -0.264 0.000 0.948 1174 K CB -0.159 32.236 32.500 -0.175 0.000 0.762 1174 K HN 0.431 nan 8.250 nan 0.000 0.472 1175 Q N -1.222 118.189 119.800 -0.649 0.000 2.224 1175 Q HA -0.122 4.219 4.340 0.001 0.000 0.203 1175 Q C 0.602 176.419 176.000 -0.306 0.000 0.970 1175 Q CA 1.620 57.082 55.803 -0.569 0.000 0.865 1175 Q CB -0.059 28.152 28.738 -0.877 0.000 0.922 1175 Q HN 0.640 nan 8.270 nan 0.000 0.445 1176 W N -2.089 119.217 121.300 0.010 0.000 2.534 1176 W HA 0.715 5.376 4.660 0.001 0.000 0.339 1176 W C -0.068 176.440 176.519 -0.019 0.000 0.961 1176 W CA -0.221 57.125 57.345 0.002 0.000 1.545 1176 W CB 0.312 29.781 29.460 0.014 0.000 1.104 1176 W HN -0.088 nan 8.180 nan 0.000 0.538 1177 A N 0.595 123.472 122.820 0.095 0.000 2.566 1177 A HA 0.573 4.894 4.320 0.001 0.000 0.290 1177 A C -1.122 176.442 177.584 -0.032 0.000 1.071 1177 A CA -1.250 50.816 52.037 0.047 0.000 0.658 1177 A CB 0.833 19.909 19.000 0.126 0.000 1.285 1177 A HN 0.011 nan 8.150 nan 0.000 0.427 1178 K N 0.404 120.750 120.400 -0.090 0.000 2.270 1178 K HA 0.511 4.832 4.320 0.001 0.000 0.276 1178 K C -0.873 175.760 176.600 0.055 0.000 1.023 1178 K CA -0.240 56.015 56.287 -0.054 0.000 0.955 1178 K CB 1.270 33.674 32.500 -0.159 0.000 0.975 1178 K HN 0.379 nan 8.250 nan 0.000 0.471 1179 V N 4.971 124.918 119.914 0.055 0.000 2.398 1179 V HA 0.325 4.446 4.120 0.001 0.000 0.286 1179 V C -0.077 176.067 176.094 0.083 0.000 1.026 1179 V CA -0.855 61.484 62.300 0.064 0.000 0.868 1179 V CB 1.241 33.073 31.823 0.015 0.000 0.982 1179 V HN 0.584 nan 8.190 nan 0.000 0.443 1180 I N 4.333 124.953 120.570 0.084 0.000 2.493 1180 I HA 0.380 4.551 4.170 0.001 0.000 0.298 1180 I C -0.778 175.397 176.117 0.097 0.000 0.998 1180 I CA -0.801 60.533 61.300 0.057 0.000 1.137 1180 I CB 1.753 39.757 38.000 0.007 0.000 1.310 1180 I HN 0.671 nan 8.210 nan 0.000 0.445 1181 Y N 4.821 125.129 120.300 0.015 0.000 2.342 1181 Y HA 0.299 4.850 4.550 0.001 0.000 0.338 1181 Y C 0.016 175.949 175.900 0.055 0.000 0.965 1181 Y CA -0.886 57.229 58.100 0.026 0.000 1.159 1181 Y CB 0.789 39.304 38.460 0.093 0.000 1.157 1181 Y HN 0.501 nan 8.280 nan 0.000 0.486 1182 D N 5.308 125.320 120.400 -0.647 0.000 2.402 1182 D HA 0.201 4.842 4.640 0.001 0.000 0.235 1182 D C 0.643 176.431 176.300 -0.853 0.000 1.226 1182 D CA 0.380 54.056 54.000 -0.541 0.000 0.918 1182 D CB 1.114 41.592 40.800 -0.537 0.000 1.043 1182 D HN 0.801 nan 8.370 nan 0.000 0.506 1183 A N 3.125 125.608 122.820 -0.562 0.000 2.119 1183 A HA -0.068 4.253 4.320 0.001 0.000 0.217 1183 A C 1.971 179.493 177.584 -0.103 0.000 1.153 1183 A CA 1.039 52.901 52.037 -0.292 0.000 0.692 1183 A CB 0.031 19.101 19.000 0.117 0.000 0.799 1183 A HN 0.547 nan 8.150 nan 0.000 0.458 1184 T N -0.854 113.633 114.554 -0.113 0.000 2.781 1184 T HA -0.024 4.327 4.350 0.001 0.000 0.252 1184 T C 1.585 176.116 174.700 -0.282 0.000 1.039 1184 T CA 1.659 63.644 62.100 -0.191 0.000 1.147 1184 T CB -0.374 68.331 68.868 -0.273 0.000 0.865 1184 T HN 0.713 nan 8.240 nan 0.000 0.423 1185 H N 0.580 119.593 119.070 -0.096 0.000 2.551 1185 H HA 0.296 4.853 4.556 0.001 0.000 0.266 1185 H C 2.258 177.516 175.328 -0.118 0.000 0.977 1185 H CA 0.387 56.367 56.048 -0.113 0.000 1.163 1185 H CB 0.027 29.679 29.762 -0.182 0.000 1.381 1185 H HN 0.157 nan 8.280 nan 0.000 0.581 1186 S N 0.207 115.866 115.700 -0.068 0.000 2.481 1186 S HA -0.068 4.403 4.470 0.001 0.000 0.231 1186 S C 1.749 176.363 174.600 0.023 0.000 0.996 1186 S CA 1.064 59.231 58.200 -0.054 0.000 0.942 1186 S CB 0.043 63.190 63.200 -0.088 0.000 0.768 1186 S HN 0.472 nan 8.310 nan 0.000 0.520 1187 V N 0.059 120.004 119.914 0.052 0.000 3.380 1187 V HA 0.288 4.408 4.120 0.001 0.000 0.307 1187 V C 0.238 176.391 176.094 0.098 0.000 1.434 1187 V CA -0.633 61.729 62.300 0.104 0.000 1.075 1187 V CB -0.797 31.143 31.823 0.194 0.000 0.954 1187 V HN 0.456 nan 8.190 nan 0.000 0.444 1188 Q N 1.330 121.169 119.800 0.066 0.000 2.354 1188 Q HA 0.615 4.956 4.340 0.001 0.000 0.244 1188 Q C -0.738 175.313 176.000 0.085 0.000 0.969 1188 Q CA -0.580 55.266 55.803 0.071 0.000 0.885 1188 Q CB 1.546 30.329 28.738 0.075 0.000 1.241 1188 Q HN 0.514 nan 8.270 nan 0.000 0.461 1189 L N 2.804 124.081 121.223 0.089 0.000 2.283 1189 L HA 0.424 4.765 4.340 0.001 0.000 0.281 1189 L C -2.172 174.755 176.870 0.094 0.000 1.033 1189 L CA -2.331 52.566 54.840 0.095 0.000 0.848 1189 L CB 1.010 43.126 42.059 0.095 0.000 1.226 1189 L HN 0.548 nan 8.230 nan 0.000 0.429 1190 P HA 0.031 nan 4.420 nan 0.000 0.261 1190 P C 0.598 177.958 177.300 0.099 0.000 1.165 1190 P CA 0.827 63.997 63.100 0.116 0.000 0.759 1190 P CB 0.505 32.291 31.700 0.143 0.000 0.772 1200 M N 1.228 120.910 119.600 0.136 0.000 2.022 1200 M HA 0.356 4.837 4.480 0.001 0.000 0.298 1200 M C 1.192 177.523 176.300 0.051 0.000 0.909 1200 M CA -0.670 54.698 55.300 0.113 0.000 0.914 1200 M CB 2.316 35.082 32.600 0.276 0.000 1.486 1200 M HN 0.669 nan 8.290 nan 0.000 0.415 1201 R N 2.239 122.729 120.500 -0.016 0.000 2.159 1201 R HA -0.171 4.170 4.340 0.001 0.000 0.237 1201 R C 1.662 177.921 176.300 -0.068 0.000 1.131 1201 R CA 2.246 58.332 56.100 -0.023 0.000 0.982 1201 R CB 0.144 30.425 30.300 -0.031 0.000 0.868 1201 R HN 0.804 nan 8.270 nan 0.000 0.453 1202 E N -0.771 119.290 120.200 -0.232 0.000 2.333 1202 E HA -0.184 4.167 4.350 0.001 0.000 0.198 1202 E C 0.607 176.985 176.600 -0.370 0.000 1.007 1202 E CA 0.890 57.072 56.400 -0.362 0.000 0.845 1202 E CB -0.115 29.229 29.700 -0.594 0.000 0.766 1202 E HN 0.388 nan 8.360 nan 0.000 0.507 1203 F N 0.445 120.445 119.950 0.084 0.000 2.695 1203 F HA 0.339 4.867 4.527 0.001 0.000 0.303 1203 F C 1.728 177.615 175.800 0.144 0.000 1.091 1203 F CA -0.587 57.473 58.000 0.100 0.000 1.300 1203 F CB -0.000 39.052 39.000 0.087 0.000 1.071 1203 F HN -0.058 nan 8.300 nan 0.000 0.578 1204 I N -0.397 120.329 120.570 0.260 0.000 2.099 1204 I HA -0.355 3.816 4.170 0.001 0.000 0.239 1204 I C 2.543 178.863 176.117 0.340 0.000 1.066 1204 I CA 1.845 63.296 61.300 0.252 0.000 1.324 1204 I CB -0.525 37.561 38.000 0.143 0.000 1.037 1204 I HN 0.134 nan 8.210 nan 0.000 0.401 1205 F N 2.015 122.029 119.950 0.108 0.000 2.102 1205 F HA -0.169 4.359 4.527 0.001 0.000 0.298 1205 F C -0.337 175.520 175.800 0.095 0.000 1.105 1205 F CA 1.258 59.312 58.000 0.089 0.000 1.239 1205 F CB -1.035 37.994 39.000 0.047 0.000 0.991 1205 F HN 0.019 nan 8.300 nan 0.000 0.474 1206 P HA -0.208 nan 4.420 nan 0.000 0.216 1206 P C 1.689 179.028 177.300 0.065 0.000 1.153 1206 P CA 1.613 64.730 63.100 0.027 0.000 0.858 1206 P CB -0.108 31.653 31.700 0.103 0.000 0.789 1207 L N -1.898 119.445 121.223 0.199 0.000 2.313 1207 L HA -0.051 4.290 4.340 0.001 0.000 0.214 1207 L C 2.332 179.300 176.870 0.165 0.000 1.119 1207 L CA 0.871 55.841 54.840 0.216 0.000 0.809 1207 L CB -0.646 41.665 42.059 0.420 0.000 0.933 1207 L HN -0.014 nan 8.230 nan 0.000 0.449 1208 I N -0.136 120.614 120.570 0.300 0.000 2.252 1208 I HA -0.249 3.922 4.170 0.001 0.000 0.245 1208 I C 2.765 178.963 176.117 0.135 0.000 1.102 1208 I CA 1.113 62.606 61.300 0.321 0.000 1.385 1208 I CB -0.187 38.064 38.000 0.419 0.000 1.064 1208 I HN 0.234 nan 8.210 nan 0.000 0.414 1209 R N 0.718 121.274 120.500 0.093 0.000 2.091 1209 R HA -0.165 4.176 4.340 0.001 0.000 0.238 1209 R C 2.403 178.625 176.300 -0.129 0.000 1.136 1209 R CA 1.552 57.636 56.100 -0.026 0.000 0.959 1209 R CB -0.519 29.697 30.300 -0.141 0.000 0.856 1209 R HN 0.361 nan 8.270 nan 0.000 0.437 1210 A N 1.396 124.068 122.820 -0.247 0.000 1.902 1210 A HA -0.098 4.223 4.320 0.001 0.000 0.217 1210 A C 2.414 179.692 177.584 -0.511 0.000 1.181 1210 A CA 1.633 53.361 52.037 -0.515 0.000 0.623 1210 A CB -0.584 17.854 19.000 -0.937 0.000 0.818 1210 A HN 0.393 nan 8.150 nan 0.000 0.443 1211 A N -0.029 122.587 122.820 -0.340 0.000 1.902 1211 A HA -0.043 4.278 4.320 0.001 0.000 0.217 1211 A C 2.320 179.874 177.584 -0.050 0.000 1.181 1211 A CA 2.389 54.336 52.037 -0.150 0.000 0.623 1211 A CB -1.225 17.557 19.000 -0.363 0.000 0.818 1211 A HN 1.135 nan 8.150 nan 0.000 0.443 1212 V N -2.700 117.212 119.914 -0.003 0.000 2.548 1212 V HA 0.083 4.203 4.120 0.001 0.000 0.249 1212 V C 2.509 178.666 176.094 0.105 0.000 1.055 1212 V CA 1.526 63.861 62.300 0.059 0.000 1.065 1212 V CB -1.366 30.476 31.823 0.031 0.000 0.681 1212 V HN 0.486 nan 8.190 nan 0.000 0.462 1213 A N 0.488 123.321 122.820 0.021 0.000 1.930 1213 A HA -0.041 4.280 4.320 0.001 0.000 0.217 1213 A C 2.346 179.994 177.584 0.107 0.000 1.175 1213 A CA 2.087 54.158 52.037 0.057 0.000 0.627 1213 A CB -0.721 18.240 19.000 -0.065 0.000 0.815 1213 A HN 0.434 nan 8.150 nan 0.000 0.443 1214 V N -0.987 118.909 119.914 -0.030 0.000 2.323 1214 V HA 0.282 4.403 4.120 0.001 0.000 0.244 1214 V C 1.329 177.329 176.094 -0.157 0.000 1.041 1214 V CA 1.403 63.675 62.300 -0.047 0.000 1.025 1214 V CB -1.114 30.670 31.823 -0.065 0.000 0.656 1214 V HN 1.241 nan 8.190 nan 0.000 0.451 1215 G N -0.227 108.383 108.800 -0.318 0.000 3.305 1215 G HA2 0.123 4.084 3.960 0.001 0.000 0.649 1215 G HA3 0.123 4.084 3.960 0.001 0.000 0.649 1215 G C -0.776 173.896 174.900 -0.379 0.000 1.255 1215 G CA -0.619 43.962 45.100 -0.865 0.000 1.137 1215 G HN 0.999 nan 8.290 nan 0.000 0.535 1216 C N 0.373 119.563 119.300 -0.183 0.000 3.291 1216 C HA 0.870 5.331 4.460 0.001 0.000 0.316 1216 C C 0.546 175.613 174.990 0.127 0.000 1.391 1216 C CA -0.592 58.431 59.018 0.009 0.000 1.394 1216 C CB 1.971 29.779 27.740 0.112 0.000 1.744 1216 C HN 0.621 nan 8.230 nan 0.000 0.461 1217 D N 0.386 120.828 120.400 0.070 0.000 2.339 1217 D HA 0.391 5.031 4.640 0.001 0.000 0.217 1217 D C 0.783 176.914 176.300 -0.282 0.000 1.050 1217 D CA 1.299 55.322 54.000 0.038 0.000 0.856 1217 D CB 0.892 41.726 40.800 0.056 0.000 0.922 1217 D HN 1.101 nan 8.370 nan 0.000 0.518 1218 G N -0.428 108.138 108.800 -0.389 0.000 2.368 1218 G HA2 0.370 4.331 3.960 0.001 0.000 0.293 1218 G HA3 0.370 4.331 3.960 0.001 0.000 0.293 1218 G C -1.834 172.883 174.900 -0.305 0.000 1.467 1218 G CA -0.572 43.997 45.100 -0.885 0.000 0.804 1218 G HN -0.055 nan 8.290 nan 0.000 0.535 1219 V N 0.323 120.080 119.914 -0.262 0.000 2.735 1219 V HA 0.706 4.827 4.120 0.001 0.000 0.310 1219 V C -1.159 174.942 176.094 0.011 0.000 1.061 1219 V CA -0.714 61.624 62.300 0.062 0.000 0.913 1219 V CB 1.868 33.829 31.823 0.231 0.000 1.005 1219 V HN 0.787 nan 8.190 nan 0.000 0.428 1220 F N 5.393 125.275 119.950 -0.112 0.000 2.427 1220 F HA 0.801 5.328 4.527 0.001 0.000 0.346 1220 F C -0.288 175.439 175.800 -0.121 0.000 1.120 1220 F CA -0.640 57.277 58.000 -0.139 0.000 1.033 1220 F CB 1.396 40.304 39.000 -0.154 0.000 1.126 1220 F HN 0.482 nan 8.300 nan 0.000 0.462 1221 M N 6.146 125.591 119.600 -0.259 0.000 2.183 1221 M HA 0.312 4.792 4.480 0.001 0.000 0.277 1221 M C -1.532 174.615 176.300 -0.255 0.000 0.995 1221 M CA -0.290 54.926 55.300 -0.141 0.000 0.969 1221 M CB 1.611 34.155 32.600 -0.093 0.000 1.659 1221 M HN 0.597 nan 8.290 nan 0.000 0.462 1222 E N 2.132 122.242 120.200 -0.151 0.000 2.283 1222 E HA 0.402 4.753 4.350 0.001 0.000 0.278 1222 E C -0.686 175.858 176.600 -0.094 0.000 1.027 1222 E CA -0.277 56.035 56.400 -0.145 0.000 0.843 1222 E CB 2.019 31.686 29.700 -0.054 0.000 1.062 1222 E HN 0.522 nan 8.360 nan 0.000 0.401 1223 T N 1.737 116.241 114.554 -0.084 0.000 2.906 1223 T HA 0.312 4.663 4.350 0.001 0.000 0.295 1223 T C -1.669 173.060 174.700 0.048 0.000 1.075 1223 T CA -0.592 61.491 62.100 -0.028 0.000 1.005 1223 T CB 1.392 70.228 68.868 -0.053 0.000 1.136 1223 T HN 0.481 nan 8.240 nan 0.000 0.498 1224 H N 2.074 121.117 119.070 -0.045 0.000 3.112 1224 H HA 0.312 4.869 4.556 0.002 0.000 0.347 1224 H C -2.593 172.722 175.328 -0.020 0.000 1.188 1224 H CA -1.297 54.735 56.048 -0.026 0.000 1.240 1224 H CB 2.397 32.143 29.762 -0.026 0.000 1.920 1224 H HN 0.330 nan 8.280 nan 0.000 0.535 1225 P HA -0.115 nan 4.420 nan 0.000 0.215 1225 P C -0.612 176.813 177.300 0.209 0.000 1.157 1225 P CA 1.596 64.749 63.100 0.089 0.000 0.874 1225 P CB 0.389 32.080 31.700 -0.015 0.000 0.790 1226 E N -2.158 118.311 120.200 0.449 0.000 2.593 1226 E HA 0.165 4.516 4.350 0.001 0.000 0.232 1226 E C -2.179 174.362 176.600 -0.099 0.000 1.026 1226 E CA -1.813 54.678 56.400 0.150 0.000 0.772 1226 E CB 1.128 30.887 29.700 0.099 0.000 1.310 1226 E HN 0.083 nan 8.360 nan 0.000 0.413 1227 P HA -0.290 nan 4.420 nan 0.000 0.217 1227 P C 0.866 178.019 177.300 -0.246 0.000 1.162 1227 P CA 1.570 64.548 63.100 -0.203 0.000 0.901 1227 P CB 0.216 31.872 31.700 -0.073 0.000 0.793 1228 E N -0.264 119.848 120.200 -0.146 0.000 2.396 1228 E HA -0.164 4.186 4.350 0.001 0.000 0.200 1228 E C 1.265 177.781 176.600 -0.139 0.000 1.023 1228 E CA 1.218 57.549 56.400 -0.115 0.000 0.857 1228 E CB -0.942 28.719 29.700 -0.065 0.000 0.775 1228 E HN 0.358 nan 8.360 nan 0.000 0.525 1229 K N 0.287 120.560 120.400 -0.212 0.000 2.358 1229 K HA 0.345 4.666 4.320 0.001 0.000 0.197 1229 K C 0.353 176.792 176.600 -0.269 0.000 1.025 1229 K CA 0.235 56.412 56.287 -0.183 0.000 1.104 1229 K CB 0.601 33.043 32.500 -0.096 0.000 0.855 1229 K HN 0.134 nan 8.250 nan 0.000 0.531 1230 A N 1.404 123.951 122.820 -0.455 0.000 2.540 1230 A HA 0.007 4.328 4.320 0.001 0.000 0.239 1230 A C 0.956 178.430 177.584 -0.182 0.000 1.061 1230 A CA 0.135 51.948 52.037 -0.374 0.000 0.758 1230 A CB -0.004 18.801 19.000 -0.326 0.000 0.991 1230 A HN 0.299 nan 8.150 nan 0.000 0.502 1231 L N 1.583 122.693 121.223 -0.188 0.000 2.610 1231 L HA 0.097 4.437 4.340 0.001 0.000 0.232 1231 L C 1.006 177.853 176.870 -0.038 0.000 1.149 1231 L CA 0.719 55.424 54.840 -0.224 0.000 0.872 1231 L CB -0.208 41.437 42.059 -0.691 0.000 0.992 1231 L HN 0.656 nan 8.230 nan 0.000 0.447 1232 S N -0.818 114.888 115.700 0.011 0.000 2.543 1232 S HA 0.291 4.762 4.470 0.001 0.000 0.271 1232 S C -0.871 173.766 174.600 0.062 0.000 1.148 1232 S CA -0.728 57.529 58.200 0.096 0.000 0.914 1232 S CB 1.035 64.352 63.200 0.196 0.000 1.096 1232 S HN 0.338 nan 8.310 nan 0.000 0.471 1233 D N 1.840 122.279 120.400 0.064 0.000 2.751 1233 D HA -0.183 4.458 4.640 0.001 0.000 0.233 1233 D C 1.110 177.405 176.300 -0.009 0.000 1.149 1233 D CA 1.071 55.098 54.000 0.046 0.000 0.682 1233 D CB -1.145 39.706 40.800 0.085 0.000 1.068 1233 D HN 0.644 nan 8.370 nan 0.000 0.429 1234 A N 0.683 123.485 122.820 -0.029 0.000 1.883 1234 A HA -0.136 4.184 4.320 0.001 0.000 0.217 1234 A C -0.015 177.535 177.584 -0.057 0.000 1.186 1234 A CA 1.599 53.592 52.037 -0.073 0.000 0.624 1234 A CB -1.043 17.910 19.000 -0.080 0.000 0.822 1234 A HN 0.380 nan 8.150 nan 0.000 0.444 1235 P HA -0.063 nan 4.420 nan 0.000 0.242 1235 P C 0.645 177.932 177.300 -0.022 0.000 1.198 1235 P CA 1.855 64.943 63.100 -0.020 0.000 0.756 1235 P CB -0.337 31.364 31.700 0.001 0.000 0.911 1236 T N -5.586 108.943 114.554 -0.040 0.000 3.009 1236 T HA 0.398 4.749 4.350 0.001 0.000 0.267 1236 T C 0.852 175.509 174.700 -0.072 0.000 0.942 1236 T CA -0.014 62.050 62.100 -0.058 0.000 0.883 1236 T CB -0.296 68.511 68.868 -0.102 0.000 1.192 1236 T HN 0.065 nan 8.240 nan 0.000 0.524 1237 A N 2.390 125.172 122.820 -0.062 0.000 2.522 1237 A HA 0.567 4.888 4.320 0.001 0.000 0.256 1237 A C 0.083 177.648 177.584 -0.031 0.000 1.086 1237 A CA -0.375 51.636 52.037 -0.044 0.000 0.763 1237 A CB -0.317 18.660 19.000 -0.038 0.000 1.024 1237 A HN 0.513 nan 8.150 nan 0.000 0.502 1238 L N 5.530 126.734 121.223 -0.031 0.000 2.367 1238 L HA 0.387 4.728 4.340 0.001 0.000 0.275 1238 L C -2.163 174.699 176.870 -0.013 0.000 1.129 1238 L CA -1.627 53.194 54.840 -0.032 0.000 0.839 1238 L CB 0.705 42.733 42.059 -0.052 0.000 1.133 1238 L HN 0.385 nan 8.230 nan 0.000 0.453 1239 P HA 0.027 nan 4.420 nan 0.000 0.267 1239 P C 1.001 178.297 177.300 -0.006 0.000 1.205 1239 P CA 0.030 63.132 63.100 0.004 0.000 0.765 1239 P CB 0.601 32.299 31.700 -0.004 0.000 0.828 1240 L N 2.759 123.985 121.223 0.006 0.000 2.051 1240 L HA -0.288 4.053 4.340 0.001 0.000 0.214 1240 L C 2.091 178.952 176.870 -0.014 0.000 1.076 1240 L CA 2.511 57.345 54.840 -0.010 0.000 0.758 1240 L CB -0.667 41.384 42.059 -0.013 0.000 0.890 1240 L HN 0.457 nan 8.230 nan 0.000 0.433 1241 S N -1.689 114.005 115.700 -0.009 0.000 2.469 1241 S HA -0.216 4.254 4.470 0.001 0.000 0.238 1241 S C 1.617 176.208 174.600 -0.014 0.000 0.998 1241 S CA 0.819 59.014 58.200 -0.008 0.000 0.957 1241 S CB -0.180 63.019 63.200 -0.003 0.000 0.764 1241 S HN 0.555 nan 8.310 nan 0.000 0.514 1242 Q N -0.367 119.414 119.800 -0.032 0.000 2.408 1242 Q HA 0.303 4.644 4.340 0.001 0.000 0.205 1242 Q C 1.597 177.543 176.000 -0.090 0.000 0.919 1242 Q CA -0.088 55.677 55.803 -0.063 0.000 0.932 1242 Q CB -0.123 28.566 28.738 -0.082 0.000 1.058 1242 Q HN 0.377 nan 8.270 nan 0.000 0.517 1243 L N 1.435 122.624 121.223 -0.058 0.000 2.013 1243 L HA -0.256 4.085 4.340 0.001 0.000 0.212 1243 L C 2.254 179.102 176.870 -0.035 0.000 1.073 1243 L CA 1.922 56.731 54.840 -0.052 0.000 0.753 1243 L CB -0.391 41.661 42.059 -0.012 0.000 0.890 1243 L HN 0.255 nan 8.230 nan 0.000 0.432 1244 E N -1.093 119.125 120.200 0.029 0.000 2.033 1244 E HA -0.242 4.109 4.350 0.001 0.000 0.199 1244 E C 2.094 178.732 176.600 0.063 0.000 1.011 1244 E CA 1.307 57.779 56.400 0.119 0.000 0.815 1244 E CB -0.484 29.319 29.700 0.172 0.000 0.755 1244 E HN 0.570 nan 8.360 nan 0.000 0.451 1245 G N 1.218 110.029 108.800 0.018 0.000 2.440 1245 G HA2 -0.258 3.702 3.960 0.001 0.000 0.218 1245 G HA3 -0.258 3.702 3.960 0.001 0.000 0.218 1245 G C 1.610 176.460 174.900 -0.083 0.000 1.154 1245 G CA 1.001 46.101 45.100 0.002 0.000 0.767 1245 G HN 0.270 nan 8.290 nan 0.000 0.552 1246 I N 0.338 120.761 120.570 -0.245 0.000 2.315 1246 I HA -0.094 4.077 4.170 0.001 0.000 0.248 1246 I C 2.652 178.662 176.117 -0.178 0.000 1.117 1246 I CA 0.683 61.736 61.300 -0.412 0.000 1.404 1246 I CB -0.175 37.497 38.000 -0.546 0.000 1.071 1246 I HN 0.168 nan 8.210 nan 0.000 0.419 1247 I N 0.595 121.052 120.570 -0.189 0.000 2.179 1247 I HA -0.279 3.892 4.170 0.001 0.000 0.242 1247 I C 2.623 178.564 176.117 -0.293 0.000 1.088 1247 I CA 1.288 62.417 61.300 -0.284 0.000 1.357 1247 I CB -0.310 37.389 38.000 -0.501 0.000 1.051 1247 I HN 0.206 nan 8.210 nan 0.000 0.409 1248 E N 1.591 121.684 120.200 -0.179 0.000 2.085 1248 E HA -0.221 4.130 4.350 0.001 0.000 0.194 1248 E C 2.070 178.694 176.600 0.040 0.000 0.994 1248 E CA 1.821 58.241 56.400 0.033 0.000 0.801 1248 E CB -0.201 29.622 29.700 0.205 0.000 0.743 1248 E HN 0.418 nan 8.360 nan 0.000 0.453 1249 A N 1.228 124.090 122.820 0.070 0.000 1.877 1249 A HA -0.144 4.177 4.320 0.001 0.000 0.216 1249 A C 2.419 180.055 177.584 0.087 0.000 1.186 1249 A CA 1.834 53.960 52.037 0.148 0.000 0.620 1249 A CB -1.063 18.179 19.000 0.403 0.000 0.822 1249 A HN 0.551 nan 8.150 nan 0.000 0.443 1250 I N -2.569 118.029 120.570 0.046 0.000 2.394 1250 I HA -0.159 4.011 4.170 0.001 0.000 0.251 1250 I C 2.060 178.079 176.117 -0.164 0.000 1.136 1250 I CA 1.334 62.614 61.300 -0.033 0.000 1.425 1250 I CB -0.392 37.586 38.000 -0.036 0.000 1.079 1250 I HN 0.227 nan 8.210 nan 0.000 0.425 1251 L N 1.047 122.172 121.223 -0.162 0.000 2.056 1251 L HA -0.122 4.219 4.340 0.001 0.000 0.207 1251 L C 2.703 179.520 176.870 -0.088 0.000 1.078 1251 L CA 1.541 56.280 54.840 -0.167 0.000 0.749 1251 L CB -0.622 41.387 42.059 -0.082 0.000 0.901 1251 L HN 0.279 nan 8.230 nan 0.000 0.433 1252 E N 0.405 120.586 120.200 -0.032 0.000 2.051 1252 E HA -0.204 4.147 4.350 0.001 0.000 0.192 1252 E C 2.267 178.848 176.600 -0.032 0.000 0.991 1252 E CA 1.217 57.609 56.400 -0.013 0.000 0.799 1252 E CB -0.095 29.615 29.700 0.017 0.000 0.748 1252 E HN 0.450 nan 8.360 nan 0.000 0.449 1253 I N 0.816 121.367 120.570 -0.032 0.000 2.226 1253 I HA -0.272 3.899 4.170 0.001 0.000 0.245 1253 I C 2.738 178.828 176.117 -0.044 0.000 1.100 1253 I CA 1.035 62.316 61.300 -0.031 0.000 1.374 1253 I CB -0.243 37.744 38.000 -0.021 0.000 1.057 1253 I HN 0.035 nan 8.210 nan 0.000 0.413 1254 R N 1.047 121.501 120.500 -0.075 0.000 2.083 1254 R HA -0.237 4.104 4.340 0.001 0.000 0.237 1254 R C 2.389 178.611 176.300 -0.130 0.000 1.137 1254 R CA 1.727 57.782 56.100 -0.076 0.000 0.951 1254 R CB -0.291 29.890 30.300 -0.198 0.000 0.851 1254 R HN 0.251 nan 8.270 nan 0.000 0.434 1255 E N 0.257 120.391 120.200 -0.110 0.000 2.097 1255 E HA -0.171 4.179 4.350 0.001 0.000 0.196 1255 E C 1.860 178.387 176.600 -0.122 0.000 1.000 1255 E CA 1.796 58.134 56.400 -0.104 0.000 0.804 1255 E CB -0.022 29.642 29.700 -0.061 0.000 0.740 1255 E HN 0.296 nan 8.360 nan 0.000 0.454 1256 V N 0.819 120.681 119.914 -0.088 0.000 2.407 1256 V HA -0.142 3.978 4.120 0.001 0.000 0.245 1256 V C 2.507 178.562 176.094 -0.065 0.000 1.041 1256 V CA 1.607 63.870 62.300 -0.061 0.000 1.040 1256 V CB -0.670 31.145 31.823 -0.014 0.000 0.671 1256 V HN 0.336 nan 8.190 nan 0.000 0.455 1257 A N 0.762 123.531 122.820 -0.084 0.000 1.968 1257 A HA -0.148 4.173 4.320 0.001 0.000 0.217 1257 A C 2.489 179.777 177.584 -0.494 0.000 1.169 1257 A CA 1.706 53.701 52.037 -0.070 0.000 0.638 1257 A CB -0.706 18.315 19.000 0.034 0.000 0.812 1257 A HN 0.665 nan 8.150 nan 0.000 0.446 1258 S N 0.485 115.655 115.700 -0.882 0.000 2.423 1258 S HA -0.286 4.185 4.470 0.001 0.000 0.238 1258 S C 1.815 175.951 174.600 -0.773 0.000 1.028 1258 S CA 1.734 59.058 58.200 -1.460 0.000 1.000 1258 S CB -0.485 62.301 63.200 -0.690 0.000 0.797 1258 S HN 0.669 nan 8.310 nan 0.000 0.487 1259 K N 0.425 120.493 120.400 -0.552 0.000 2.211 1259 K HA -0.123 4.197 4.320 0.001 0.000 0.204 1259 K C 0.761 176.966 176.600 -0.658 0.000 1.047 1259 K CA 1.373 57.300 56.287 -0.600 0.000 0.935 1259 K CB -0.208 31.829 32.500 -0.772 0.000 0.728 1259 K HN 0.654 nan 8.250 nan 0.000 0.452 1260 Y N -0.950 119.239 120.300 -0.184 0.000 2.467 1260 Y HA 0.158 4.708 4.550 0.001 0.000 0.250 1260 Y C -0.336 175.611 175.900 0.079 0.000 1.155 1260 Y CA -1.049 57.022 58.100 -0.049 0.000 1.249 1260 Y CB 0.238 38.680 38.460 -0.031 0.000 1.146 1260 Y HN -0.144 nan 8.280 nan 0.000 0.524 1261 Y N 2.211 122.557 120.300 0.076 0.000 2.717 1261 Y HA 0.067 4.617 4.550 0.001 0.000 0.330 1261 Y C 0.741 176.662 175.900 0.034 0.000 1.217 1261 Y CA -0.951 57.178 58.100 0.049 0.000 1.506 1261 Y CB -0.058 38.419 38.460 0.027 0.000 1.268 1261 Y HN 0.132 nan 8.280 nan 0.000 0.561 1262 E N 0.536 120.844 120.200 0.181 0.000 2.383 1262 E HA 0.114 4.465 4.350 0.001 0.000 0.264 1262 E C -0.111 176.529 176.600 0.066 0.000 1.050 1262 E CA -0.060 56.397 56.400 0.096 0.000 0.896 1262 E CB 0.262 29.996 29.700 0.057 0.000 0.982 1262 E HN 0.413 nan 8.360 nan 0.000 0.424 1263 T N 4.103 118.684 114.554 0.044 0.000 2.771 1263 T HA 0.111 4.462 4.350 0.001 0.000 0.277 1263 T C 0.900 175.602 174.700 0.003 0.000 0.919 1263 T CA 0.022 62.138 62.100 0.026 0.000 1.163 1263 T CB -0.733 68.147 68.868 0.020 0.000 0.876 1263 T HN 0.516 nan 8.240 nan 0.000 0.545 1264 I N 0.000 120.565 120.570 -0.008 0.000 2.984 1264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 1264 I CA 0.000 61.274 61.300 -0.043 0.000 1.566 1264 I CB 0.000 37.978 38.000 -0.037 0.000 1.214 1264 I HN 0.000 nan 8.210 nan 0.000 0.494