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 1cm8_1_B DATA FIRST_RESID 1008 DATA SEQUENCE RSGFYRQEVT KTAWEVRAVY RDLQPVXXXX XXAVCSAVDG RTGAKVAIKK DATA SEQUENCE LYRPFQSELF AKRAYRELRL LKHMRHENVI GLLDVFTPDE TLDDFTDFYL DATA SEQUENCE VMPFMGTDLG KLMKHEKLGE DRIQFLVYQM LKGLRYIHAA GIIHRDLKPG DATA SEQUENCE NLAVNEDCEL KILDFGLARQ ADSEMXGXVV TRWYRAPEVI LNWMRYTQTV DATA SEQUENCE DIWSVGCIMA EMITGKTLFK GSDHLDQLKE IMKVTGTPPA EFVQRLQSDE DATA SEQUENCE AKNYMKGLPE LEKKDFASIL TNASPLAVNL LEKMLVLDAE QRVTAGEALA DATA SEQUENCE HPYFESLHXX XXXXQVQKYD DSXXXXXRTL DEWKRVTYKE VLSFKP 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 1008 R HA 0.000 nan 4.340 nan 0.000 0.208 1008 R C 0.000 176.215 176.300 -0.142 0.000 0.893 1008 R CA 0.000 56.027 56.100 -0.122 0.000 0.921 1008 R CB 0.000 30.216 30.300 -0.140 0.000 0.687 1009 S N -1.470 114.148 115.700 -0.137 0.000 2.567 1009 S HA 0.832 5.301 4.470 -0.001 0.000 0.270 1009 S C 0.298 174.816 174.600 -0.137 0.000 1.152 1009 S CA 0.885 58.992 58.200 -0.155 0.000 0.835 1009 S CB 0.952 64.090 63.200 -0.103 0.000 1.115 1009 S HN 2.832 nan 8.310 nan 0.000 0.459 1010 G N 1.831 110.519 108.800 -0.187 0.000 2.466 1010 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.218 1010 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.218 1010 G C -1.190 173.528 174.900 -0.303 0.000 1.237 1010 G CA 0.040 45.091 45.100 -0.082 0.000 0.954 1010 G HN 0.999 nan 8.290 nan 0.000 0.580 1011 F N -0.613 119.362 119.950 0.041 0.000 2.706 1011 F HA 0.888 5.415 4.527 -0.001 0.000 0.328 1011 F C 0.146 176.065 175.800 0.199 0.000 1.123 1011 F CA 0.058 58.098 58.000 0.066 0.000 0.978 1011 F CB 2.042 41.067 39.000 0.042 0.000 1.404 1011 F HN 1.095 nan 8.300 nan 0.000 0.497 1012 Y N -1.306 119.139 120.300 0.242 0.000 2.702 1012 Y HA 0.749 5.298 4.550 -0.001 0.000 0.336 1012 Y C -1.994 174.010 175.900 0.174 0.000 1.203 1012 Y CA -1.837 56.355 58.100 0.153 0.000 1.072 1012 Y CB 1.189 39.695 38.460 0.077 0.000 1.327 1012 Y HN 0.580 nan 8.280 nan 0.000 0.456 1013 R N 2.138 122.765 120.500 0.211 0.000 2.803 1013 R HA 0.671 5.010 4.340 -0.001 0.000 0.276 1013 R C -1.520 174.874 176.300 0.157 0.000 0.978 1013 R CA -1.117 55.048 56.100 0.107 0.000 0.939 1013 R CB 2.501 32.894 30.300 0.155 0.000 1.179 1013 R HN 0.819 nan 8.270 nan 0.000 0.472 1014 Q N 1.293 121.166 119.800 0.122 0.000 2.391 1014 Q HA 0.153 4.492 4.340 -0.001 0.000 0.279 1014 Q C -1.539 174.553 176.000 0.154 0.000 1.028 1014 Q CA -0.800 55.084 55.803 0.135 0.000 0.836 1014 Q CB 2.514 31.307 28.738 0.092 0.000 1.414 1014 Q HN 0.722 nan 8.270 nan 0.000 0.397 1015 E N 2.189 122.464 120.200 0.124 0.000 2.105 1015 E HA 0.254 4.604 4.350 -0.001 0.000 0.285 1015 E C -0.324 176.330 176.600 0.090 0.000 1.055 1015 E CA -0.455 56.023 56.400 0.129 0.000 0.843 1015 E CB 1.318 31.076 29.700 0.096 0.000 1.067 1015 E HN 0.320 nan 8.360 nan 0.000 0.398 1016 V N 3.260 123.254 119.914 0.133 0.000 2.686 1016 V HA -0.101 4.018 4.120 -0.001 0.000 0.213 1016 V C 1.531 177.674 176.094 0.083 0.000 1.163 1016 V CA 1.616 63.941 62.300 0.040 0.000 1.208 1016 V CB -0.205 31.592 31.823 -0.043 0.000 0.840 1016 V HN 0.907 nan 8.190 nan 0.000 0.505 1017 T N -0.421 114.219 114.554 0.142 0.000 3.412 1017 T HA 0.214 4.564 4.350 -0.001 0.000 0.193 1017 T C 1.674 176.428 174.700 0.089 0.000 0.810 1017 T CA 0.855 63.011 62.100 0.093 0.000 1.910 1017 T CB -0.584 68.334 68.868 0.084 0.000 1.974 1017 T HN 0.376 nan 8.240 nan 0.000 0.443 1018 K N 1.103 121.552 120.400 0.081 0.000 2.348 1018 K HA 0.395 4.714 4.320 -0.001 0.000 0.194 1018 K C 1.401 178.050 176.600 0.081 0.000 1.052 1018 K CA 0.454 56.779 56.287 0.062 0.000 1.004 1018 K CB -0.721 31.796 32.500 0.027 0.000 0.873 1018 K HN 0.639 nan 8.250 nan 0.000 0.523 1019 T N 0.205 114.828 114.554 0.115 0.000 2.874 1019 T HA 0.633 4.982 4.350 -0.001 0.000 0.281 1019 T C 0.064 174.904 174.700 0.233 0.000 0.994 1019 T CA -0.194 61.973 62.100 0.112 0.000 1.015 1019 T CB 1.647 70.517 68.868 0.003 0.000 1.028 1019 T HN 0.436 nan 8.240 nan 0.000 0.523 1020 A N 1.088 124.008 122.820 0.167 0.000 2.303 1020 A HA 0.642 4.962 4.320 -0.001 0.000 0.320 1020 A C -1.395 176.354 177.584 0.276 0.000 1.192 1020 A CA -0.938 51.256 52.037 0.261 0.000 0.821 1020 A CB 0.369 19.468 19.000 0.166 0.000 1.188 1020 A HN 0.759 nan 8.150 nan 0.000 0.492 1021 W N 0.281 121.659 121.300 0.130 0.000 2.578 1021 W HA 0.637 5.297 4.660 -0.001 0.000 0.346 1021 W C 0.484 177.072 176.519 0.117 0.000 1.075 1021 W CA -0.434 57.045 57.345 0.224 0.000 1.233 1021 W CB 1.284 30.859 29.460 0.192 0.000 1.358 1021 W HN 0.688 nan 8.180 nan 0.000 0.574 1022 E N 2.138 122.551 120.200 0.355 0.000 3.651 1022 E HA 0.289 4.638 4.350 -0.001 0.000 0.220 1022 E C -0.424 176.210 176.600 0.057 0.000 1.222 1022 E CA -0.221 56.271 56.400 0.153 0.000 1.114 1022 E CB 0.469 30.281 29.700 0.187 0.000 1.278 1022 E HN 0.381 nan 8.360 nan 0.000 0.412 1023 V N -0.413 119.462 119.914 -0.064 0.000 3.441 1023 V HA 0.486 4.605 4.120 -0.001 0.000 0.300 1023 V C 0.548 176.583 176.094 -0.098 0.000 1.062 1023 V CA -0.785 61.519 62.300 0.006 0.000 1.064 1023 V CB 0.784 32.620 31.823 0.023 0.000 1.197 1023 V HN 0.358 nan 8.190 nan 0.000 0.451 1024 R N 0.370 120.621 120.500 -0.415 0.000 2.582 1024 R HA 0.519 4.859 4.340 -0.001 0.000 0.271 1024 R C 1.502 177.715 176.300 -0.146 0.000 1.078 1024 R CA 0.073 55.788 56.100 -0.642 0.000 1.127 1024 R CB 0.919 30.662 30.300 -0.929 0.000 1.038 1024 R HN 0.940 nan 8.270 nan 0.000 0.500 1025 A N 2.288 125.039 122.820 -0.115 0.000 1.978 1025 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 1025 A C 2.050 179.592 177.584 -0.070 0.000 1.170 1025 A CA 1.405 53.476 52.037 0.057 0.000 0.636 1025 A CB -0.373 18.582 19.000 -0.075 0.000 0.810 1025 A HN 0.526 nan 8.150 nan 0.000 0.448 1026 V N -1.050 118.710 119.914 -0.257 0.000 2.343 1026 V HA -0.152 3.967 4.120 -0.001 0.000 0.247 1026 V C 0.636 176.566 176.094 -0.272 0.000 1.051 1026 V CA 0.966 63.067 62.300 -0.331 0.000 1.036 1026 V CB -0.638 30.884 31.823 -0.501 0.000 0.654 1026 V HN 0.565 nan 8.190 nan 0.000 0.451 1027 Y N 2.313 122.607 120.300 -0.010 0.000 2.587 1027 Y HA 0.363 4.912 4.550 -0.001 0.000 0.344 1027 Y C 0.871 176.844 175.900 0.120 0.000 1.061 1027 Y CA 0.049 58.170 58.100 0.036 0.000 1.370 1027 Y CB -0.152 38.326 38.460 0.029 0.000 1.163 1027 Y HN 0.249 nan 8.280 nan 0.000 0.527 1028 R N 0.686 121.305 120.500 0.198 0.000 2.923 1028 R HA 0.303 4.642 4.340 -0.001 0.000 0.252 1028 R C -0.659 175.696 176.300 0.091 0.000 1.130 1028 R CA -1.343 54.842 56.100 0.142 0.000 1.043 1028 R CB 0.953 31.270 30.300 0.028 0.000 1.205 1028 R HN 0.562 nan 8.270 nan 0.000 0.495 1029 D N 1.397 121.834 120.400 0.061 0.000 2.890 1029 D HA -0.173 4.466 4.640 -0.001 0.000 0.226 1029 D C -0.870 175.414 176.300 -0.027 0.000 1.207 1029 D CA 0.496 54.501 54.000 0.009 0.000 0.764 1029 D CB -0.526 40.261 40.800 -0.023 0.000 0.948 1029 D HN 0.338 nan 8.370 nan 0.000 0.404 1030 L N 1.740 122.941 121.223 -0.037 0.000 2.456 1030 L HA 0.217 4.557 4.340 -0.001 0.000 0.272 1030 L C 0.900 177.672 176.870 -0.163 0.000 1.189 1030 L CA 0.243 54.992 54.840 -0.152 0.000 0.846 1030 L CB 0.662 42.552 42.059 -0.281 0.000 1.111 1030 L HN 0.241 nan 8.230 nan 0.000 0.475 1031 Q N 3.822 123.511 119.800 -0.184 0.000 2.268 1031 Q HA 0.378 4.718 4.340 -0.001 0.000 0.266 1031 Q C -2.511 173.418 176.000 -0.119 0.000 1.006 1031 Q CA -1.665 54.060 55.803 -0.130 0.000 0.824 1031 Q CB 2.726 31.406 28.738 -0.096 0.000 1.306 1031 Q HN 0.316 nan 8.270 nan 0.000 0.424 1032 P HA 0.275 nan 4.420 nan 0.000 0.272 1032 P C -0.404 176.914 177.300 0.030 0.000 1.230 1032 P CA -0.147 62.942 63.100 -0.018 0.000 0.788 1032 P CB 1.189 32.896 31.700 0.012 0.000 0.949 1041 V N 0.401 120.459 119.914 0.239 0.000 2.823 1041 V HA 0.685 4.804 4.120 -0.001 0.000 0.312 1041 V C -0.228 176.033 176.094 0.278 0.000 1.072 1041 V CA -0.557 61.925 62.300 0.302 0.000 0.937 1041 V CB 1.876 33.774 31.823 0.125 0.000 1.013 1041 V HN 1.181 nan 8.190 nan 0.000 0.430 1042 C N 2.103 121.512 119.300 0.181 0.000 2.707 1042 C HA 0.722 5.182 4.460 -0.001 0.000 0.313 1042 C C 0.311 175.290 174.990 -0.018 0.000 1.209 1042 C CA -0.709 58.251 59.018 -0.097 0.000 1.635 1042 C CB 2.026 29.398 27.740 -0.615 0.000 2.206 1042 C HN 0.963 nan 8.230 nan 0.000 0.485 1043 S N 1.875 117.551 115.700 -0.041 0.000 2.422 1043 S HA 0.800 5.270 4.470 -0.001 0.000 0.308 1043 S C -0.335 174.188 174.600 -0.130 0.000 1.097 1043 S CA -0.267 57.899 58.200 -0.056 0.000 1.099 1043 S CB 1.137 64.232 63.200 -0.174 0.000 0.976 1043 S HN 1.105 nan 8.310 nan 0.000 0.471 1044 A N 3.399 126.170 122.820 -0.082 0.000 2.468 1044 A HA 0.939 5.258 4.320 -0.001 0.000 0.270 1044 A C -0.790 176.786 177.584 -0.013 0.000 1.217 1044 A CA -0.931 51.085 52.037 -0.035 0.000 0.908 1044 A CB 1.034 20.055 19.000 0.035 0.000 1.423 1044 A HN 0.981 nan 8.150 nan 0.000 0.459 1045 V N 1.080 121.028 119.914 0.056 0.000 2.638 1045 V HA 0.304 4.424 4.120 -0.001 0.000 0.306 1045 V C -1.124 175.049 176.094 0.132 0.000 1.052 1045 V CA -0.669 61.664 62.300 0.054 0.000 0.885 1045 V CB 1.759 33.585 31.823 0.006 0.000 0.999 1045 V HN 0.885 nan 8.190 nan 0.000 0.424 1046 D N 3.360 123.847 120.400 0.145 0.000 2.338 1046 D HA 0.177 4.816 4.640 -0.001 0.000 0.255 1046 D C 1.368 177.675 176.300 0.012 0.000 1.237 1046 D CA 0.705 54.776 54.000 0.119 0.000 0.883 1046 D CB 1.810 42.689 40.800 0.131 0.000 1.087 1046 D HN 0.689 nan 8.370 nan 0.000 0.485 1047 G N 4.221 112.996 108.800 -0.042 0.000 2.462 1047 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 1047 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 1047 G C 1.550 176.414 174.900 -0.060 0.000 1.121 1047 G CA 0.368 45.434 45.100 -0.057 0.000 0.758 1047 G HN 0.505 nan 8.290 nan 0.000 0.559 1048 R N -0.372 120.083 120.500 -0.075 0.000 2.148 1048 R HA 0.012 4.352 4.340 -0.001 0.000 0.223 1048 R C 2.619 178.901 176.300 -0.031 0.000 1.088 1048 R CA 1.683 57.747 56.100 -0.061 0.000 0.985 1048 R CB -0.074 30.180 30.300 -0.076 0.000 0.880 1048 R HN 0.557 nan 8.270 nan 0.000 0.451 1049 T N -6.035 108.511 114.554 -0.012 0.000 2.989 1049 T HA 0.274 4.623 4.350 -0.001 0.000 0.250 1049 T C 1.351 176.054 174.700 0.005 0.000 0.981 1049 T CA 0.465 62.566 62.100 0.001 0.000 0.980 1049 T CB 1.241 70.119 68.868 0.017 0.000 1.133 1049 T HN 0.274 nan 8.240 nan 0.000 0.489 1050 G N 1.532 110.337 108.800 0.008 0.000 2.179 1050 G HA2 0.106 4.066 3.960 -0.001 0.000 0.220 1050 G HA3 0.106 4.066 3.960 -0.001 0.000 0.220 1050 G C 0.206 175.114 174.900 0.013 0.000 0.990 1050 G CA -0.153 44.949 45.100 0.005 0.000 0.646 1050 G HN 1.195 nan 8.290 nan 0.000 0.517 1051 A N 0.694 123.533 122.820 0.032 0.000 2.320 1051 A HA 0.672 4.991 4.320 -0.001 0.000 0.287 1051 A C 0.596 178.209 177.584 0.049 0.000 1.181 1051 A CA -0.101 51.963 52.037 0.046 0.000 0.831 1051 A CB 0.386 19.424 19.000 0.064 0.000 1.102 1051 A HN 0.379 nan 8.150 nan 0.000 0.513 1052 K N 1.152 121.565 120.400 0.023 0.000 2.436 1052 K HA 0.373 4.693 4.320 -0.001 0.000 0.275 1052 K C -0.552 176.097 176.600 0.083 0.000 0.999 1052 K CA 0.154 56.419 56.287 -0.036 0.000 0.980 1052 K CB 0.790 33.159 32.500 -0.218 0.000 0.919 1052 K HN 0.408 nan 8.250 nan 0.000 0.484 1053 V N 1.080 121.036 119.914 0.070 0.000 3.040 1053 V HA 0.595 4.715 4.120 -0.001 0.000 0.312 1053 V C -1.201 174.982 176.094 0.148 0.000 1.115 1053 V CA -0.908 61.471 62.300 0.133 0.000 0.998 1053 V CB 2.161 34.047 31.823 0.105 0.000 1.042 1053 V HN 0.890 nan 8.190 nan 0.000 0.433 1054 A N 4.144 127.060 122.820 0.160 0.000 2.303 1054 A HA 0.867 5.187 4.320 -0.001 0.000 0.320 1054 A C -0.933 176.692 177.584 0.068 0.000 1.192 1054 A CA -0.414 51.719 52.037 0.160 0.000 0.821 1054 A CB 0.547 19.650 19.000 0.171 0.000 1.188 1054 A HN 0.668 nan 8.150 nan 0.000 0.492 1055 I N 2.279 122.900 120.570 0.084 0.000 2.389 1055 I HA 0.350 4.519 4.170 -0.001 0.000 0.288 1055 I C 0.014 176.305 176.117 0.290 0.000 0.999 1055 I CA -0.416 60.967 61.300 0.139 0.000 1.129 1055 I CB 1.865 39.962 38.000 0.162 0.000 1.288 1055 I HN 0.664 nan 8.210 nan 0.000 0.444 1056 K N 7.121 127.614 120.400 0.155 0.000 2.307 1056 K HA 0.357 4.677 4.320 -0.001 0.000 0.263 1056 K C -0.668 175.809 176.600 -0.205 0.000 0.973 1056 K CA -0.743 55.563 56.287 0.032 0.000 0.846 1056 K CB 1.364 33.821 32.500 -0.072 0.000 1.100 1056 K HN 0.480 nan 8.250 nan 0.000 0.438 1057 K N 6.254 126.371 120.400 -0.472 0.000 2.253 1057 K HA 0.163 4.483 4.320 -0.001 0.000 0.277 1057 K C -0.432 175.683 176.600 -0.808 0.000 1.053 1057 K CA -0.710 54.962 56.287 -1.025 0.000 0.892 1057 K CB 0.632 32.179 32.500 -1.588 0.000 1.102 1057 K HN 0.500 nan 8.250 nan 0.000 0.469 1058 L N 5.583 126.270 121.223 -0.893 0.000 2.530 1058 L HA -0.012 4.328 4.340 -0.001 0.000 0.273 1058 L C -0.157 176.367 176.870 -0.577 0.000 1.141 1058 L CA 0.210 54.596 54.840 -0.758 0.000 0.905 1058 L CB -0.734 40.669 42.059 -1.093 0.000 1.202 1058 L HN 0.649 nan 8.230 nan 0.000 0.473 1059 Y N 5.040 125.012 120.300 -0.547 0.000 2.730 1059 Y HA 0.133 4.682 4.550 -0.001 0.000 0.354 1059 Y C 1.163 176.882 175.900 -0.302 0.000 1.139 1059 Y CA 0.095 57.946 58.100 -0.415 0.000 1.516 1059 Y CB -0.309 37.950 38.460 -0.335 0.000 1.204 1059 Y HN 0.738 nan 8.280 nan 0.000 0.520 1060 R N 5.343 125.531 120.500 -0.519 0.000 3.092 1060 R HA -0.180 4.160 4.340 -0.001 0.000 0.245 1060 R C -2.027 174.048 176.300 -0.376 0.000 0.881 1060 R CA 0.886 56.702 56.100 -0.474 0.000 0.614 1060 R CB -2.979 26.973 30.300 -0.580 0.000 1.128 1060 R HN 0.709 nan 8.270 nan 0.000 0.483 1061 P HA -0.122 nan 4.420 nan 0.000 0.221 1061 P C 0.144 177.012 177.300 -0.721 0.000 1.145 1061 P CA 0.982 63.682 63.100 -0.667 0.000 0.795 1061 P CB -0.015 31.128 31.700 -0.928 0.000 0.775 1062 F N -0.191 119.717 119.950 -0.070 0.000 2.963 1062 F HA 0.365 4.892 4.527 -0.001 0.000 0.321 1062 F C 2.036 177.777 175.800 -0.099 0.000 1.234 1062 F CA -0.527 57.432 58.000 -0.067 0.000 1.296 1062 F CB -0.344 38.596 39.000 -0.099 0.000 0.981 1062 F HN -0.092 nan 8.300 nan 0.000 0.507 1063 Q N 0.467 120.231 119.800 -0.059 0.000 2.402 1063 Q HA 0.113 4.452 4.340 -0.001 0.000 0.206 1063 Q C 0.523 176.386 176.000 -0.229 0.000 0.919 1063 Q CA 0.530 56.231 55.803 -0.171 0.000 0.923 1063 Q CB 0.594 29.157 28.738 -0.293 0.000 1.048 1063 Q HN 0.502 nan 8.270 nan 0.000 0.515 1064 S N -2.302 113.285 115.700 -0.188 0.000 2.757 1064 S HA 0.161 4.631 4.470 -0.001 0.000 0.285 1064 S C 0.204 174.767 174.600 -0.061 0.000 1.196 1064 S CA -0.675 57.415 58.200 -0.183 0.000 0.856 1064 S CB 0.896 63.861 63.200 -0.391 0.000 1.212 1064 S HN 0.197 nan 8.310 nan 0.000 0.516 1065 E N -0.660 119.503 120.200 -0.062 0.000 2.216 1065 E HA 0.096 4.446 4.350 -0.001 0.000 0.192 1065 E C 1.771 178.256 176.600 -0.192 0.000 0.973 1065 E CA 0.365 56.727 56.400 -0.064 0.000 0.851 1065 E CB -0.069 29.664 29.700 0.055 0.000 0.804 1065 E HN 0.501 nan 8.360 nan 0.000 0.477 1066 L N 0.348 121.518 121.223 -0.088 0.000 2.056 1066 L HA -0.072 4.268 4.340 -0.001 0.000 0.207 1066 L C 1.815 178.721 176.870 0.061 0.000 1.078 1066 L CA 1.486 56.309 54.840 -0.028 0.000 0.749 1066 L CB -0.416 41.675 42.059 0.054 0.000 0.901 1066 L HN 0.113 nan 8.230 nan 0.000 0.433 1067 F N 0.041 119.860 119.950 -0.219 0.000 2.113 1067 F HA -0.043 4.483 4.527 -0.001 0.000 0.297 1067 F C 2.575 178.201 175.800 -0.290 0.000 1.103 1067 F CA 0.764 58.619 58.000 -0.241 0.000 1.248 1067 F CB -1.580 37.271 39.000 -0.248 0.000 0.999 1067 F HN 0.195 nan 8.300 nan 0.000 0.475 1068 A N -0.080 122.686 122.820 -0.090 0.000 1.865 1068 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 1068 A C 2.336 179.685 177.584 -0.392 0.000 1.191 1068 A CA 2.020 53.983 52.037 -0.123 0.000 0.623 1068 A CB -0.893 18.148 19.000 0.069 0.000 0.826 1068 A HN 0.328 nan 8.150 nan 0.000 0.444 1069 K N -0.474 119.378 120.400 -0.914 0.000 2.074 1069 K HA -0.212 4.108 4.320 -0.001 0.000 0.209 1069 K C 2.309 178.691 176.600 -0.362 0.000 1.048 1069 K CA 1.757 57.359 56.287 -1.142 0.000 0.926 1069 K CB -0.179 31.748 32.500 -0.954 0.000 0.713 1069 K HN 0.479 nan 8.250 nan 0.000 0.444 1070 R N -0.169 120.189 120.500 -0.237 0.000 2.066 1070 R HA -0.080 4.259 4.340 -0.001 0.000 0.232 1070 R C 2.460 178.723 176.300 -0.062 0.000 1.131 1070 R CA 1.179 57.199 56.100 -0.134 0.000 0.955 1070 R CB -0.404 29.788 30.300 -0.179 0.000 0.851 1070 R HN 0.246 nan 8.270 nan 0.000 0.432 1071 A N 0.814 123.599 122.820 -0.059 0.000 1.873 1071 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 1071 A C 2.065 179.802 177.584 0.255 0.000 1.193 1071 A CA 1.600 53.683 52.037 0.077 0.000 0.629 1071 A CB -0.903 18.131 19.000 0.058 0.000 0.826 1071 A HN 0.511 nan 8.150 nan 0.000 0.447 1072 Y N 0.404 120.790 120.300 0.144 0.000 2.181 1072 Y HA -0.190 4.359 4.550 -0.001 0.000 0.288 1072 Y C 2.513 178.512 175.900 0.165 0.000 1.146 1072 Y CA 2.031 60.262 58.100 0.218 0.000 1.164 1072 Y CB -0.249 38.438 38.460 0.379 0.000 0.982 1072 Y HN 0.220 nan 8.280 nan 0.000 0.515 1073 R N 0.178 120.824 120.500 0.243 0.000 2.081 1073 R HA -0.203 4.136 4.340 -0.001 0.000 0.235 1073 R C 2.313 178.595 176.300 -0.031 0.000 1.131 1073 R CA 1.768 57.927 56.100 0.097 0.000 0.960 1073 R CB -0.391 29.968 30.300 0.099 0.000 0.856 1073 R HN 0.530 nan 8.270 nan 0.000 0.436 1074 E N 0.692 120.895 120.200 0.005 0.000 2.047 1074 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 1074 E C 1.955 178.545 176.600 -0.017 0.000 0.987 1074 E CA 0.830 57.233 56.400 0.005 0.000 0.799 1074 E CB 0.015 29.719 29.700 0.007 0.000 0.752 1074 E HN 0.071 nan 8.360 nan 0.000 0.449 1075 L N 1.435 122.672 121.223 0.024 0.000 1.970 1075 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 1075 L C 2.357 179.178 176.870 -0.082 0.000 1.071 1075 L CA 1.801 56.645 54.840 0.006 0.000 0.751 1075 L CB -0.624 41.450 42.059 0.026 0.000 0.889 1075 L HN 0.048 nan 8.230 nan 0.000 0.432 1076 R N -0.360 120.033 120.500 -0.179 0.000 2.113 1076 R HA -0.181 4.159 4.340 -0.001 0.000 0.244 1076 R C 2.305 178.566 176.300 -0.065 0.000 1.142 1076 R CA 2.107 58.125 56.100 -0.137 0.000 0.953 1076 R CB -1.091 29.048 30.300 -0.269 0.000 0.860 1076 R HN 0.448 nan 8.270 nan 0.000 0.438 1077 L N 0.360 121.441 121.223 -0.236 0.000 2.056 1077 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 1077 L C 2.559 179.287 176.870 -0.237 0.000 1.078 1077 L CA 0.947 55.569 54.840 -0.364 0.000 0.749 1077 L CB -0.406 41.404 42.059 -0.415 0.000 0.901 1077 L HN 0.141 nan 8.230 nan 0.000 0.433 1078 L N -0.381 120.708 121.223 -0.223 0.000 2.093 1078 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 1078 L C 2.572 179.419 176.870 -0.038 0.000 1.085 1078 L CA 1.333 56.058 54.840 -0.191 0.000 0.755 1078 L CB -0.351 41.623 42.059 -0.141 0.000 0.904 1078 L HN 0.222 nan 8.230 nan 0.000 0.435 1079 K N -1.223 119.197 120.400 0.034 0.000 2.211 1079 K HA -0.210 4.109 4.320 -0.001 0.000 0.203 1079 K C 1.949 178.652 176.600 0.171 0.000 1.050 1079 K CA 1.249 57.630 56.287 0.156 0.000 0.945 1079 K CB -0.089 32.522 32.500 0.184 0.000 0.732 1079 K HN 0.365 nan 8.250 nan 0.000 0.451 1080 H N 0.050 119.161 119.070 0.067 0.000 2.344 1080 H HA 0.154 4.710 4.556 -0.001 0.000 0.307 1080 H C 0.442 175.835 175.328 0.108 0.000 1.057 1080 H CA 0.439 56.557 56.048 0.116 0.000 1.373 1080 H CB 0.224 30.124 29.762 0.230 0.000 1.421 1080 H HN -0.102 nan 8.280 nan 0.000 0.532 1081 M N 0.977 120.628 119.600 0.084 0.000 2.252 1081 M HA 0.275 4.754 4.480 -0.001 0.000 0.333 1081 M C 0.185 176.492 176.300 0.013 0.000 1.111 1081 M CA 1.077 56.459 55.300 0.136 0.000 1.140 1081 M CB 0.713 33.398 32.600 0.142 0.000 1.538 1081 M HN 0.480 nan 8.290 nan 0.000 0.448 1082 R N 2.032 122.510 120.500 -0.038 0.000 2.810 1082 R HA 0.434 4.773 4.340 -0.001 0.000 0.280 1082 R C -1.706 174.319 176.300 -0.457 0.000 1.517 1082 R CA -0.748 55.240 56.100 -0.186 0.000 1.063 1082 R CB 0.538 30.767 30.300 -0.120 0.000 1.275 1082 R HN 0.875 nan 8.270 nan 0.000 0.464 1083 H N 0.609 119.372 119.070 -0.511 0.000 3.038 1083 H HA 0.270 4.825 4.556 -0.001 0.000 0.362 1083 H C -0.077 175.082 175.328 -0.282 0.000 1.167 1083 H CA -0.414 55.303 56.048 -0.552 0.000 1.197 1083 H CB 2.617 31.855 29.762 -0.874 0.000 1.840 1083 H HN 0.592 nan 8.280 nan 0.000 0.540 1084 E N 2.450 122.278 120.200 -0.619 0.000 2.331 1084 E HA -0.134 4.216 4.350 -0.001 0.000 0.199 1084 E C 0.034 176.611 176.600 -0.038 0.000 1.008 1084 E CA 1.535 57.765 56.400 -0.283 0.000 0.843 1084 E CB 0.070 29.567 29.700 -0.339 0.000 0.761 1084 E HN 0.584 nan 8.360 nan 0.000 0.507 1085 N N -1.240 117.631 118.700 0.285 0.000 2.235 1085 N HA 0.172 4.912 4.740 -0.001 0.000 0.231 1085 N C -1.587 173.965 175.510 0.071 0.000 1.177 1085 N CA -0.213 52.916 53.050 0.131 0.000 0.874 1085 N CB 1.739 40.262 38.487 0.061 0.000 1.097 1085 N HN -0.148 nan 8.380 nan 0.000 0.518 1086 V N 1.310 121.277 119.914 0.089 0.000 2.577 1086 V HA 0.310 4.429 4.120 -0.001 0.000 0.303 1086 V C -0.058 176.068 176.094 0.053 0.000 1.042 1086 V CA -1.056 61.303 62.300 0.099 0.000 0.872 1086 V CB 1.891 33.775 31.823 0.102 0.000 0.998 1086 V HN 0.063 nan 8.190 nan 0.000 0.423 1087 I N 3.847 124.469 120.570 0.087 0.000 2.932 1087 I HA 0.412 4.581 4.170 -0.001 0.000 0.295 1087 I C 0.889 177.010 176.117 0.007 0.000 1.227 1087 I CA 1.211 62.539 61.300 0.046 0.000 1.429 1087 I CB 0.668 38.711 38.000 0.073 0.000 1.339 1087 I HN 0.779 nan 8.210 nan 0.000 0.589 1088 G N 6.560 115.366 108.800 0.011 0.000 2.533 1088 G HA2 0.584 4.543 3.960 -0.001 0.000 0.304 1088 G HA3 0.584 4.543 3.960 -0.001 0.000 0.304 1088 G C -1.545 173.382 174.900 0.045 0.000 1.263 1088 G CA -0.777 44.332 45.100 0.016 0.000 0.964 1088 G HN 0.435 nan 8.290 nan 0.000 0.479 1089 L N 0.623 121.891 121.223 0.076 0.000 2.326 1089 L HA 0.431 4.770 4.340 -0.001 0.000 0.278 1089 L C 1.143 178.161 176.870 0.247 0.000 1.092 1089 L CA -0.189 54.706 54.840 0.092 0.000 0.810 1089 L CB 1.362 43.405 42.059 -0.028 0.000 1.153 1089 L HN 0.535 nan 8.230 nan 0.000 0.439 1090 L N 1.290 122.644 121.223 0.218 0.000 2.537 1090 L HA 0.269 4.608 4.340 -0.001 0.000 0.224 1090 L C -0.206 176.926 176.870 0.438 0.000 1.065 1090 L CA 0.255 55.265 54.840 0.284 0.000 0.860 1090 L CB 0.464 42.648 42.059 0.208 0.000 1.086 1090 L HN 0.631 nan 8.230 nan 0.000 0.482 1091 D N -1.537 119.075 120.400 0.353 0.000 2.683 1091 D HA 0.385 5.025 4.640 -0.001 0.000 0.246 1091 D C -1.729 174.616 176.300 0.074 0.000 1.238 1091 D CA -0.204 54.054 54.000 0.429 0.000 0.759 1091 D CB 2.498 43.606 40.800 0.513 0.000 1.349 1091 D HN -0.255 nan 8.370 nan 0.000 0.426 1092 V N 3.074 123.036 119.914 0.080 0.000 2.777 1092 V HA 0.898 5.018 4.120 -0.001 0.000 0.306 1092 V C -1.687 174.615 176.094 0.348 0.000 1.112 1092 V CA -0.451 61.863 62.300 0.022 0.000 0.917 1092 V CB 1.117 32.757 31.823 -0.306 0.000 1.018 1092 V HN 0.603 nan 8.190 nan 0.000 0.426 1093 F N 2.563 122.706 119.950 0.321 0.000 2.745 1093 F HA 0.927 5.453 4.527 -0.001 0.000 0.316 1093 F C -0.773 175.332 175.800 0.509 0.000 1.155 1093 F CA -0.505 57.726 58.000 0.385 0.000 0.937 1093 F CB 1.870 41.119 39.000 0.415 0.000 1.361 1093 F HN 0.585 nan 8.300 nan 0.000 0.472 1094 T N 1.474 116.484 114.554 0.759 0.000 3.071 1094 T HA 0.435 4.785 4.350 -0.001 0.000 0.311 1094 T C -2.691 172.251 174.700 0.404 0.000 1.042 1094 T CA -1.439 61.044 62.100 0.639 0.000 1.028 1094 T CB 1.822 71.078 68.868 0.647 0.000 1.068 1094 T HN 0.622 nan 8.240 nan 0.000 0.451 1095 P HA 0.258 nan 4.420 nan 0.000 0.258 1095 P C -0.746 176.430 177.300 -0.208 0.000 1.403 1095 P CA -0.061 62.707 63.100 -0.553 0.000 0.826 1095 P CB 0.025 31.500 31.700 -0.374 0.000 1.414 1096 D N 0.595 121.040 120.400 0.075 0.000 2.381 1096 D HA 0.122 4.761 4.640 -0.001 0.000 0.235 1096 D C 0.975 177.364 176.300 0.147 0.000 1.068 1096 D CA -0.363 53.723 54.000 0.143 0.000 0.832 1096 D CB 1.612 42.598 40.800 0.311 0.000 1.101 1096 D HN 0.077 nan 8.370 nan 0.000 0.515 1097 E N 0.337 120.586 120.200 0.083 0.000 2.274 1097 E HA -0.047 4.303 4.350 -0.001 0.000 0.194 1097 E C 0.693 177.368 176.600 0.124 0.000 0.996 1097 E CA 0.733 57.195 56.400 0.103 0.000 0.840 1097 E CB 0.293 30.033 29.700 0.067 0.000 0.772 1097 E HN 0.502 nan 8.360 nan 0.000 0.491 1098 T N -2.198 112.393 114.554 0.062 0.000 2.906 1098 T HA 0.261 4.611 4.350 -0.001 0.000 0.295 1098 T C 0.566 175.105 174.700 -0.268 0.000 1.061 1098 T CA -0.901 61.184 62.100 -0.024 0.000 1.000 1098 T CB 1.849 70.707 68.868 -0.016 0.000 1.103 1098 T HN -0.065 nan 8.240 nan 0.000 0.486 1099 L N 1.854 122.771 121.223 -0.510 0.000 2.131 1099 L HA 0.097 4.436 4.340 -0.001 0.000 0.210 1099 L C 2.335 179.035 176.870 -0.283 0.000 1.092 1099 L CA 2.931 57.309 54.840 -0.770 0.000 0.759 1099 L CB -1.397 40.333 42.059 -0.549 0.000 0.903 1099 L HN 1.023 nan 8.230 nan 0.000 0.435 1100 D N -0.264 120.041 120.400 -0.159 0.000 2.106 1100 D HA -0.253 4.386 4.640 -0.001 0.000 0.191 1100 D C 1.483 177.752 176.300 -0.051 0.000 0.997 1100 D CA 1.711 55.662 54.000 -0.082 0.000 0.834 1100 D CB -0.777 39.992 40.800 -0.051 0.000 0.956 1100 D HN 0.757 nan 8.370 nan 0.000 0.448 1101 D N -1.510 118.876 120.400 -0.023 0.000 2.368 1101 D HA 0.061 4.700 4.640 -0.001 0.000 0.218 1101 D C 0.128 176.471 176.300 0.073 0.000 1.112 1101 D CA -0.657 53.351 54.000 0.014 0.000 0.834 1101 D CB -0.528 40.285 40.800 0.020 0.000 0.953 1101 D HN 0.393 nan 8.370 nan 0.000 0.505 1102 F N 3.823 123.700 119.950 -0.122 0.000 2.506 1102 F HA 0.080 4.606 4.527 -0.001 0.000 0.353 1102 F C 1.393 177.238 175.800 0.075 0.000 1.194 1102 F CA -0.088 57.877 58.000 -0.058 0.000 1.048 1102 F CB 0.380 39.205 39.000 -0.292 0.000 1.160 1102 F HN -0.103 nan 8.300 nan 0.000 0.598 1103 T N 0.401 114.921 114.554 -0.057 0.000 3.039 1103 T HA 0.199 4.548 4.350 -0.001 0.000 0.250 1103 T C -0.062 174.577 174.700 -0.101 0.000 1.052 1103 T CA 0.654 62.709 62.100 -0.075 0.000 1.125 1103 T CB -0.160 68.703 68.868 -0.009 0.000 0.908 1103 T HN 0.544 nan 8.240 nan 0.000 0.473 1104 D N 0.574 120.947 120.400 -0.046 0.000 2.664 1104 D HA 0.586 5.225 4.640 -0.001 0.000 0.292 1104 D C -0.991 175.550 176.300 0.402 0.000 1.214 1104 D CA -1.130 52.877 54.000 0.012 0.000 0.932 1104 D CB 0.734 41.429 40.800 -0.176 0.000 1.420 1104 D HN 0.364 nan 8.370 nan 0.000 0.471 1105 F N -2.852 117.084 119.950 -0.024 0.000 2.654 1105 F HA 0.711 5.238 4.527 -0.001 0.000 0.308 1105 F C -2.063 173.595 175.800 -0.236 0.000 1.108 1105 F CA -1.405 56.657 58.000 0.104 0.000 0.957 1105 F CB 0.944 40.118 39.000 0.291 0.000 1.309 1105 F HN 0.235 nan 8.300 nan 0.000 0.446 1106 Y N 2.235 122.292 120.300 -0.404 0.000 2.409 1106 Y HA 0.727 5.277 4.550 -0.001 0.000 0.339 1106 Y C -0.447 175.186 175.900 -0.447 0.000 1.033 1106 Y CA -1.406 56.316 58.100 -0.630 0.000 1.094 1106 Y CB 1.853 39.703 38.460 -1.017 0.000 1.210 1106 Y HN 0.610 nan 8.280 nan 0.000 0.456 1107 L N 3.489 124.610 121.223 -0.170 0.000 2.307 1107 L HA 0.678 5.018 4.340 -0.001 0.000 0.284 1107 L C -1.010 175.833 176.870 -0.046 0.000 1.023 1107 L CA -1.121 53.660 54.840 -0.097 0.000 0.810 1107 L CB 1.587 43.583 42.059 -0.106 0.000 1.231 1107 L HN 0.325 nan 8.230 nan 0.000 0.423 1108 V N 3.994 123.892 119.914 -0.027 0.000 2.409 1108 V HA 0.521 4.641 4.120 -0.001 0.000 0.291 1108 V C -0.081 176.026 176.094 0.022 0.000 1.020 1108 V CA -0.381 61.911 62.300 -0.014 0.000 0.848 1108 V CB 1.566 33.373 31.823 -0.026 0.000 0.990 1108 V HN 0.722 nan 8.190 nan 0.000 0.430 1109 M N 6.862 126.480 119.600 0.031 0.000 2.644 1109 M HA 0.600 5.079 4.480 -0.001 0.000 0.304 1109 M C -2.776 173.571 176.300 0.079 0.000 1.215 1109 M CA -1.888 53.443 55.300 0.052 0.000 0.871 1109 M CB 2.601 35.223 32.600 0.036 0.000 1.740 1109 M HN 0.279 nan 8.290 nan 0.000 0.464 1110 P HA 0.033 nan 4.420 nan 0.000 0.271 1110 P C -0.915 176.469 177.300 0.141 0.000 1.216 1110 P CA -0.042 63.125 63.100 0.113 0.000 0.776 1110 P CB 0.275 32.024 31.700 0.082 0.000 0.881 1111 F N 3.977 123.940 119.950 0.021 0.000 2.543 1111 F HA 0.108 4.635 4.527 -0.001 0.000 0.375 1111 F C 1.118 176.925 175.800 0.012 0.000 1.075 1111 F CA 0.143 58.151 58.000 0.014 0.000 1.225 1111 F CB 0.431 39.440 39.000 0.015 0.000 1.099 1111 F HN 0.161 nan 8.300 nan 0.000 0.561 1112 M N 6.031 125.321 119.600 -0.516 0.000 2.560 1112 M HA 0.221 4.701 4.480 -0.001 0.000 0.297 1112 M C 1.097 177.087 176.300 -0.516 0.000 1.201 1112 M CA 0.611 55.681 55.300 -0.383 0.000 0.973 1112 M CB -0.735 31.723 32.600 -0.237 0.000 1.401 1112 M HN 1.004 nan 8.290 nan 0.000 0.497 1113 G N 0.956 109.184 108.800 -0.953 0.000 4.257 1113 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.270 1113 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.270 1113 G C 0.155 174.787 174.900 -0.447 0.000 1.717 1113 G CA 0.337 45.153 45.100 -0.474 0.000 1.170 1113 G HN 0.623 nan 8.290 nan 0.000 0.642 1114 T N -1.097 113.282 114.554 -0.291 0.000 2.739 1114 T HA 0.572 4.922 4.350 -0.001 0.000 0.303 1114 T C -1.305 173.290 174.700 -0.174 0.000 1.389 1114 T CA 0.395 62.385 62.100 -0.184 0.000 1.001 1114 T CB 1.882 70.694 68.868 -0.093 0.000 1.436 1114 T HN 1.356 nan 8.240 nan 0.000 0.500 1115 D N 0.102 120.418 120.400 -0.140 0.000 2.229 1115 D HA 0.443 5.082 4.640 -0.001 0.000 0.249 1115 D C 1.278 177.506 176.300 -0.121 0.000 1.027 1115 D CA -1.054 52.868 54.000 -0.131 0.000 0.923 1115 D CB 0.937 41.666 40.800 -0.117 0.000 1.174 1115 D HN 0.369 nan 8.370 nan 0.000 0.443 1116 L N 1.939 123.093 121.223 -0.116 0.000 2.129 1116 L HA -0.005 4.335 4.340 -0.001 0.000 0.212 1116 L C 2.149 178.965 176.870 -0.090 0.000 1.087 1116 L CA 2.414 57.194 54.840 -0.099 0.000 0.757 1116 L CB -0.967 41.032 42.059 -0.100 0.000 0.896 1116 L HN 0.771 nan 8.230 nan 0.000 0.434 1117 G N -0.912 107.832 108.800 -0.094 0.000 2.459 1117 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 1117 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 1117 G C 1.692 176.536 174.900 -0.092 0.000 1.183 1117 G CA 0.971 46.029 45.100 -0.069 0.000 0.776 1117 G HN 0.422 nan 8.290 nan 0.000 0.552 1118 K N -0.415 119.900 120.400 -0.140 0.000 2.057 1118 K HA 0.042 4.361 4.320 -0.001 0.000 0.206 1118 K C 2.372 178.756 176.600 -0.360 0.000 1.050 1118 K CA 0.796 56.926 56.287 -0.261 0.000 0.935 1118 K CB -0.328 32.023 32.500 -0.249 0.000 0.715 1118 K HN 0.243 nan 8.250 nan 0.000 0.439 1119 L N 1.352 122.447 121.223 -0.213 0.000 2.079 1119 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 1119 L C 1.986 178.804 176.870 -0.085 0.000 1.081 1119 L CA 1.727 56.482 54.840 -0.142 0.000 0.752 1119 L CB -0.272 41.740 42.059 -0.079 0.000 0.896 1119 L HN 0.202 nan 8.230 nan 0.000 0.433 1120 M N -1.378 118.179 119.600 -0.070 0.000 2.419 1120 M HA -0.139 4.340 4.480 -0.001 0.000 0.264 1120 M C 2.180 178.481 176.300 0.003 0.000 1.082 1120 M CA 1.088 56.376 55.300 -0.021 0.000 1.119 1120 M CB -0.175 32.417 32.600 -0.013 0.000 1.398 1120 M HN 0.211 nan 8.290 nan 0.000 0.453 1121 K N -0.346 120.041 120.400 -0.021 0.000 2.155 1121 K HA -0.150 4.169 4.320 -0.001 0.000 0.203 1121 K C 1.683 178.400 176.600 0.195 0.000 1.052 1121 K CA 1.217 57.538 56.287 0.057 0.000 0.948 1121 K CB 0.158 32.676 32.500 0.031 0.000 0.728 1121 K HN 0.310 nan 8.250 nan 0.000 0.448 1122 H N -0.002 119.077 119.070 0.014 0.000 2.415 1122 H HA 0.090 4.646 4.556 -0.001 0.000 0.297 1122 H C 0.219 175.555 175.328 0.013 0.000 1.048 1122 H CA 0.982 57.038 56.048 0.014 0.000 1.365 1122 H CB 0.175 29.947 29.762 0.016 0.000 1.421 1122 H HN 0.418 nan 8.280 nan 0.000 0.533 1123 E N -0.422 119.860 120.200 0.137 0.000 2.393 1123 E HA 0.466 4.815 4.350 -0.001 0.000 0.273 1123 E C -0.945 175.684 176.600 0.049 0.000 0.918 1123 E CA -1.281 55.167 56.400 0.079 0.000 0.773 1123 E CB 2.318 32.064 29.700 0.075 0.000 1.275 1123 E HN -0.230 nan 8.360 nan 0.000 0.451 1124 K N 1.330 121.753 120.400 0.038 0.000 2.172 1124 K HA 0.310 4.629 4.320 -0.001 0.000 0.276 1124 K C 0.283 176.902 176.600 0.032 0.000 1.013 1124 K CA -0.417 55.887 56.287 0.028 0.000 0.913 1124 K CB 0.907 33.419 32.500 0.021 0.000 1.055 1124 K HN 0.697 nan 8.250 nan 0.000 0.461 1125 L N 1.696 122.938 121.223 0.031 0.000 1.947 1125 L HA 0.224 4.564 4.340 -0.001 0.000 0.211 1125 L C 0.665 177.562 176.870 0.046 0.000 1.098 1125 L CA 0.995 55.860 54.840 0.041 0.000 0.767 1125 L CB -0.488 41.599 42.059 0.045 0.000 0.891 1125 L HN 0.917 nan 8.230 nan 0.000 0.436 1126 G N -0.935 107.894 108.800 0.048 0.000 2.841 1126 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.684 1126 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.684 1126 G C 0.003 174.942 174.900 0.065 0.000 1.273 1126 G CA -0.306 44.823 45.100 0.048 0.000 0.811 1126 G HN 0.287 nan 8.290 nan 0.000 0.631 1127 E N 0.560 120.797 120.200 0.062 0.000 2.119 1127 E HA -0.293 4.056 4.350 -0.001 0.000 0.221 1127 E C 1.741 178.388 176.600 0.078 0.000 1.062 1127 E CA 2.215 58.663 56.400 0.080 0.000 0.894 1127 E CB -0.030 29.707 29.700 0.061 0.000 0.785 1127 E HN 0.613 nan 8.360 nan 0.000 0.472 1128 D N -0.343 120.084 120.400 0.046 0.000 2.123 1128 D HA -0.113 4.526 4.640 -0.001 0.000 0.196 1128 D C 2.017 178.372 176.300 0.092 0.000 0.992 1128 D CA 0.916 54.935 54.000 0.032 0.000 0.833 1128 D CB -0.178 40.620 40.800 -0.004 0.000 0.954 1128 D HN 0.075 nan 8.370 nan 0.000 0.455 1129 R N 0.005 120.569 120.500 0.107 0.000 2.070 1129 R HA -0.043 4.296 4.340 -0.001 0.000 0.233 1129 R C 2.517 178.928 176.300 0.185 0.000 1.137 1129 R CA 0.867 57.061 56.100 0.157 0.000 0.945 1129 R CB -0.412 29.955 30.300 0.111 0.000 0.845 1129 R HN 0.230 nan 8.270 nan 0.000 0.430 1130 I N 0.749 121.412 120.570 0.154 0.000 2.248 1130 I HA -0.362 3.807 4.170 -0.001 0.000 0.248 1130 I C 2.818 179.092 176.117 0.263 0.000 1.107 1130 I CA 1.423 62.827 61.300 0.174 0.000 1.373 1130 I CB -0.396 37.699 38.000 0.158 0.000 1.055 1130 I HN 0.375 nan 8.210 nan 0.000 0.418 1131 Q N 0.677 120.635 119.800 0.263 0.000 2.016 1131 Q HA -0.247 4.093 4.340 -0.001 0.000 0.200 1131 Q C 2.378 178.599 176.000 0.368 0.000 0.978 1131 Q CA 1.798 57.752 55.803 0.253 0.000 0.833 1131 Q CB -0.200 28.498 28.738 -0.066 0.000 0.895 1131 Q HN 0.394 nan 8.270 nan 0.000 0.427 1132 F N 1.401 121.423 119.950 0.120 0.000 2.095 1132 F HA -0.216 4.310 4.527 -0.001 0.000 0.298 1132 F C 1.886 177.777 175.800 0.152 0.000 1.104 1132 F CA 1.343 59.423 58.000 0.133 0.000 1.232 1132 F CB -0.581 38.465 39.000 0.076 0.000 0.987 1132 F HN 0.091 nan 8.300 nan 0.000 0.475 1133 L N -0.841 120.438 121.223 0.092 0.000 2.012 1133 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 1133 L C 2.364 179.220 176.870 -0.023 0.000 1.073 1133 L CA 1.379 56.182 54.840 -0.062 0.000 0.748 1133 L CB -1.046 41.014 42.059 0.002 0.000 0.891 1133 L HN -0.038 nan 8.230 nan 0.000 0.431 1134 V N -1.205 118.792 119.914 0.138 0.000 2.515 1134 V HA -0.307 3.812 4.120 -0.001 0.000 0.250 1134 V C 2.216 178.346 176.094 0.060 0.000 1.058 1134 V CA 1.526 63.932 62.300 0.178 0.000 1.064 1134 V CB -0.815 31.253 31.823 0.408 0.000 0.675 1134 V HN 0.381 nan 8.190 nan 0.000 0.461 1135 Y N 1.574 121.803 120.300 -0.117 0.000 2.128 1135 Y HA -0.265 4.284 4.550 -0.001 0.000 0.284 1135 Y C 2.605 178.308 175.900 -0.328 0.000 1.154 1135 Y CA 1.833 59.642 58.100 -0.486 0.000 1.149 1135 Y CB -0.465 37.862 38.460 -0.223 0.000 0.976 1135 Y HN 0.342 nan 8.280 nan 0.000 0.505 1136 Q N -0.746 118.850 119.800 -0.340 0.000 2.119 1136 Q HA -0.207 4.132 4.340 -0.001 0.000 0.201 1136 Q C 2.405 178.223 176.000 -0.304 0.000 0.972 1136 Q CA 1.801 57.369 55.803 -0.392 0.000 0.847 1136 Q CB -0.255 28.248 28.738 -0.391 0.000 0.903 1136 Q HN 0.526 nan 8.270 nan 0.000 0.433 1137 M N 0.405 119.867 119.600 -0.231 0.000 2.080 1137 M HA -0.211 4.269 4.480 -0.001 0.000 0.260 1137 M C 2.076 178.243 176.300 -0.222 0.000 1.068 1137 M CA 1.550 56.731 55.300 -0.197 0.000 1.109 1137 M CB -0.188 32.331 32.600 -0.136 0.000 1.342 1137 M HN 0.204 nan 8.290 nan 0.000 0.405 1138 L N -0.584 120.495 121.223 -0.240 0.000 2.093 1138 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 1138 L C 2.407 179.111 176.870 -0.277 0.000 1.085 1138 L CA 1.148 55.849 54.840 -0.232 0.000 0.755 1138 L CB -0.583 41.342 42.059 -0.223 0.000 0.904 1138 L HN 0.266 nan 8.230 nan 0.000 0.435 1139 K N -0.027 120.138 120.400 -0.391 0.000 2.097 1139 K HA -0.070 4.249 4.320 -0.001 0.000 0.205 1139 K C 2.154 178.511 176.600 -0.404 0.000 1.050 1139 K CA 1.218 57.300 56.287 -0.341 0.000 0.938 1139 K CB -0.381 31.907 32.500 -0.354 0.000 0.718 1139 K HN 0.370 nan 8.250 nan 0.000 0.442 1140 G N 1.825 110.384 108.800 -0.402 0.000 2.418 1140 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 1140 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 1140 G C 1.515 176.247 174.900 -0.279 0.000 1.158 1140 G CA 0.341 45.186 45.100 -0.426 0.000 0.771 1140 G HN 0.094 nan 8.290 nan 0.000 0.545 1141 L N -0.197 120.866 121.223 -0.266 0.000 2.017 1141 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 1141 L C 3.029 179.707 176.870 -0.319 0.000 1.073 1141 L CA 1.198 55.835 54.840 -0.338 0.000 0.745 1141 L CB -0.347 41.532 42.059 -0.301 0.000 0.894 1141 L HN 0.224 nan 8.230 nan 0.000 0.432 1142 R N -0.940 119.463 120.500 -0.163 0.000 2.105 1142 R HA -0.267 4.072 4.340 -0.001 0.000 0.239 1142 R C 2.305 178.594 176.300 -0.018 0.000 1.135 1142 R CA 2.043 58.120 56.100 -0.038 0.000 0.967 1142 R CB -0.467 29.825 30.300 -0.013 0.000 0.861 1142 R HN 0.332 nan 8.270 nan 0.000 0.442 1143 Y N 1.045 121.231 120.300 -0.189 0.000 2.109 1143 Y HA -0.162 4.387 4.550 -0.001 0.000 0.285 1143 Y C 2.075 177.952 175.900 -0.038 0.000 1.131 1143 Y CA 1.804 59.828 58.100 -0.126 0.000 1.121 1143 Y CB -0.498 37.780 38.460 -0.303 0.000 0.987 1143 Y HN -0.049 nan 8.280 nan 0.000 0.495 1144 I N -0.099 120.400 120.570 -0.118 0.000 2.185 1144 I HA -0.431 3.739 4.170 -0.001 0.000 0.246 1144 I C 2.268 178.368 176.117 -0.028 0.000 1.088 1144 I CA 2.144 63.395 61.300 -0.081 0.000 1.347 1144 I CB -0.618 37.416 38.000 0.056 0.000 1.041 1144 I HN 0.401 nan 8.210 nan 0.000 0.415 1145 H N -0.084 118.961 119.070 -0.041 0.000 2.333 1145 H HA -0.004 4.552 4.556 -0.001 0.000 0.302 1145 H C 2.399 177.700 175.328 -0.045 0.000 1.075 1145 H CA 0.713 56.750 56.048 -0.019 0.000 1.348 1145 H CB -0.030 29.737 29.762 0.009 0.000 1.393 1145 H HN 0.350 nan 8.280 nan 0.000 0.509 1146 A N 1.172 124.028 122.820 0.061 0.000 2.024 1146 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 1146 A C 2.301 179.862 177.584 -0.038 0.000 1.164 1146 A CA 1.361 53.403 52.037 0.009 0.000 0.643 1146 A CB -0.643 18.357 19.000 -0.000 0.000 0.806 1146 A HN 0.468 nan 8.150 nan 0.000 0.451 1147 A N -1.678 121.066 122.820 -0.126 0.000 2.259 1147 A HA 0.412 4.731 4.320 -0.001 0.000 0.208 1147 A C 1.787 179.376 177.584 0.009 0.000 1.201 1147 A CA 1.113 53.090 52.037 -0.100 0.000 0.824 1147 A CB -1.090 17.751 19.000 -0.265 0.000 0.838 1147 A HN 1.865 nan 8.150 nan 0.000 0.485 1148 G N -0.856 107.963 108.800 0.032 0.000 2.155 1148 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.257 1148 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.257 1148 G C 0.147 175.094 174.900 0.079 0.000 0.983 1148 G CA 0.594 45.727 45.100 0.055 0.000 0.676 1148 G HN 0.504 nan 8.290 nan 0.000 0.528 1149 I N 0.134 120.760 120.570 0.094 0.000 2.566 1149 I HA 0.655 4.824 4.170 -0.001 0.000 0.303 1149 I C 0.453 176.700 176.117 0.217 0.000 0.983 1149 I CA -1.003 60.362 61.300 0.108 0.000 1.235 1149 I CB 1.735 39.778 38.000 0.071 0.000 1.386 1149 I HN 0.155 nan 8.210 nan 0.000 0.494 1150 I N 3.887 124.564 120.570 0.179 0.000 2.498 1150 I HA 0.224 4.394 4.170 -0.001 0.000 0.290 1150 I C 0.800 177.013 176.117 0.160 0.000 1.032 1150 I CA -0.375 61.059 61.300 0.225 0.000 1.073 1150 I CB 1.506 39.602 38.000 0.161 0.000 1.251 1150 I HN 0.667 nan 8.210 nan 0.000 0.426 1151 H N 7.057 126.171 119.070 0.074 0.000 2.355 1151 H HA 0.108 4.664 4.556 -0.001 0.000 0.303 1151 H C 0.732 175.996 175.328 -0.106 0.000 1.061 1151 H CA 1.716 57.700 56.048 -0.107 0.000 1.368 1151 H CB 0.458 30.073 29.762 -0.245 0.000 1.412 1151 H HN 0.742 nan 8.280 nan 0.000 0.523 1152 R N -0.061 120.510 120.500 0.118 0.000 3.953 1152 R HA -0.195 4.144 4.340 -0.001 0.000 0.340 1152 R C -0.609 175.720 176.300 0.048 0.000 1.195 1152 R CA 1.080 57.204 56.100 0.041 0.000 0.929 1152 R CB -1.563 28.719 30.300 -0.031 0.000 1.402 1152 R HN 0.369 nan 8.270 nan 0.000 0.540 1153 D N -0.626 119.939 120.400 0.275 0.000 3.091 1153 D HA 0.149 4.788 4.640 -0.001 0.000 0.306 1153 D C -0.736 175.588 176.300 0.040 0.000 1.660 1153 D CA -0.226 53.854 54.000 0.134 0.000 0.795 1153 D CB 0.408 41.223 40.800 0.024 0.000 1.331 1153 D HN 0.119 nan 8.370 nan 0.000 0.490 1154 L N 2.153 123.308 121.223 -0.113 0.000 2.418 1154 L HA 0.277 4.616 4.340 -0.001 0.000 0.274 1154 L C 0.562 177.237 176.870 -0.325 0.000 1.135 1154 L CA 0.529 55.165 54.840 -0.340 0.000 0.870 1154 L CB 0.241 42.103 42.059 -0.328 0.000 1.154 1154 L HN 0.089 nan 8.230 nan 0.000 0.462 1155 K N 2.643 122.782 120.400 -0.434 0.000 2.555 1155 K HA 0.464 4.784 4.320 -0.001 0.000 0.279 1155 K C -2.787 173.520 176.600 -0.488 0.000 0.986 1155 K CA -1.693 54.139 56.287 -0.759 0.000 0.880 1155 K CB 1.630 33.694 32.500 -0.727 0.000 1.474 1155 K HN -0.108 nan 8.250 nan 0.000 0.433 1156 P HA -0.184 nan 4.420 nan 0.000 0.216 1156 P C 1.253 178.441 177.300 -0.186 0.000 1.150 1156 P CA 2.108 65.067 63.100 -0.234 0.000 0.843 1156 P CB -0.053 31.565 31.700 -0.136 0.000 0.787 1157 G N -1.051 107.640 108.800 -0.181 0.000 2.509 1157 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 1157 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 1157 G C 1.089 175.906 174.900 -0.138 0.000 1.124 1157 G CA 0.414 45.433 45.100 -0.135 0.000 0.776 1157 G HN 0.264 nan 8.290 nan 0.000 0.547 1158 N N 0.200 118.798 118.700 -0.171 0.000 2.380 1158 N HA 0.265 5.004 4.740 -0.001 0.000 0.255 1158 N C -0.678 174.728 175.510 -0.174 0.000 1.158 1158 N CA 0.084 53.042 53.050 -0.153 0.000 0.878 1158 N CB 0.830 39.228 38.487 -0.149 0.000 1.138 1158 N HN 0.197 nan 8.380 nan 0.000 0.509 1159 L N 0.651 121.775 121.223 -0.165 0.000 2.446 1159 L HA 0.585 4.925 4.340 -0.001 0.000 0.268 1159 L C -0.334 176.453 176.870 -0.139 0.000 0.975 1159 L CA -0.823 53.922 54.840 -0.159 0.000 0.848 1159 L CB 1.853 43.807 42.059 -0.174 0.000 1.225 1159 L HN -0.082 nan 8.230 nan 0.000 0.410 1160 A N 3.598 126.340 122.820 -0.130 0.000 2.310 1160 A HA 0.828 5.148 4.320 -0.001 0.000 0.299 1160 A C -0.464 177.037 177.584 -0.139 0.000 1.147 1160 A CA -0.393 51.557 52.037 -0.146 0.000 0.818 1160 A CB 1.192 20.096 19.000 -0.159 0.000 1.096 1160 A HN 0.413 nan 8.150 nan 0.000 0.495 1161 V N 3.654 123.484 119.914 -0.141 0.000 2.569 1161 V HA 0.282 4.402 4.120 -0.001 0.000 0.301 1161 V C -0.467 175.568 176.094 -0.099 0.000 1.044 1161 V CA -0.965 61.270 62.300 -0.109 0.000 0.874 1161 V CB 1.594 33.367 31.823 -0.084 0.000 1.002 1161 V HN 1.118 nan 8.190 nan 0.000 0.424 1162 N N 2.785 121.442 118.700 -0.071 0.000 2.476 1162 N HA 0.275 5.015 4.740 -0.001 0.000 0.287 1162 N C 0.747 176.262 175.510 0.009 0.000 1.262 1162 N CA -0.593 52.432 53.050 -0.040 0.000 0.980 1162 N CB 0.528 39.001 38.487 -0.023 0.000 1.163 1162 N HN 0.571 nan 8.380 nan 0.000 0.592 1163 E N -1.219 119.002 120.200 0.035 0.000 2.171 1163 E HA -0.176 4.174 4.350 -0.001 0.000 0.197 1163 E C -0.170 176.465 176.600 0.058 0.000 0.997 1163 E CA 1.361 57.791 56.400 0.050 0.000 0.810 1163 E CB -0.207 29.529 29.700 0.058 0.000 0.738 1163 E HN 0.551 nan 8.360 nan 0.000 0.467 1164 D N -0.489 119.949 120.400 0.065 0.000 2.370 1164 D HA 0.082 4.721 4.640 -0.001 0.000 0.230 1164 D C -0.184 176.204 176.300 0.146 0.000 1.143 1164 D CA 0.012 54.066 54.000 0.090 0.000 0.834 1164 D CB -0.237 40.613 40.800 0.083 0.000 0.944 1164 D HN 0.108 nan 8.370 nan 0.000 0.504 1165 C N 1.299 120.670 119.300 0.118 0.000 4.259 1165 C HA -0.197 4.262 4.460 -0.001 0.000 0.294 1165 C C 0.574 175.597 174.990 0.055 0.000 1.459 1165 C CA 0.218 59.317 59.018 0.135 0.000 2.016 1165 C CB -2.151 25.749 27.740 0.266 0.000 1.274 1165 C HN 0.372 nan 8.230 nan 0.000 0.792 1166 E N -0.429 119.779 120.200 0.012 0.000 2.301 1166 E HA 0.597 4.946 4.350 -0.001 0.000 0.275 1166 E C -0.057 176.464 176.600 -0.130 0.000 1.030 1166 E CA -0.362 55.989 56.400 -0.080 0.000 0.852 1166 E CB 1.417 31.110 29.700 -0.012 0.000 1.060 1166 E HN 0.574 nan 8.360 nan 0.000 0.401 1167 L N 1.941 123.050 121.223 -0.190 0.000 2.342 1167 L HA 0.540 4.880 4.340 -0.001 0.000 0.271 1167 L C -1.315 175.481 176.870 -0.124 0.000 1.008 1167 L CA -0.622 54.120 54.840 -0.162 0.000 0.818 1167 L CB 1.262 43.202 42.059 -0.199 0.000 1.296 1167 L HN 0.407 nan 8.230 nan 0.000 0.427 1168 K N 5.092 125.431 120.400 -0.101 0.000 2.535 1168 K HA 0.479 4.799 4.320 -0.001 0.000 0.250 1168 K C -1.223 175.346 176.600 -0.052 0.000 0.948 1168 K CA -0.483 55.769 56.287 -0.057 0.000 0.796 1168 K CB 2.228 34.706 32.500 -0.037 0.000 1.216 1168 K HN 0.516 nan 8.250 nan 0.000 0.432 1169 I N 4.967 125.521 120.570 -0.025 0.000 2.598 1169 I HA 0.041 4.211 4.170 -0.001 0.000 0.284 1169 I C 0.130 176.293 176.117 0.077 0.000 1.140 1169 I CA 0.088 61.361 61.300 -0.045 0.000 1.420 1169 I CB 0.172 38.133 38.000 -0.065 0.000 1.387 1169 I HN 0.356 nan 8.210 nan 0.000 0.553 1170 L N 4.761 125.979 121.223 -0.007 0.000 2.421 1170 L HA 0.435 4.775 4.340 -0.001 0.000 0.267 1170 L C 0.182 177.088 176.870 0.060 0.000 1.036 1170 L CA -0.870 54.009 54.840 0.065 0.000 0.829 1170 L CB 0.471 42.522 42.059 -0.013 0.000 1.437 1170 L HN 0.547 nan 8.230 nan 0.000 0.488 1171 D N 0.433 120.879 120.400 0.076 0.000 3.508 1171 D HA -0.231 4.409 4.640 -0.001 0.000 0.232 1171 D C -0.284 175.931 176.300 -0.142 0.000 1.131 1171 D CA 0.588 54.586 54.000 -0.002 0.000 1.040 1171 D CB -0.473 40.293 40.800 -0.057 0.000 0.879 1171 D HN 0.349 nan 8.370 nan 0.000 0.407 1172 F N 0.208 120.087 119.950 -0.118 0.000 2.663 1172 F HA 0.301 4.828 4.527 -0.001 0.000 0.299 1172 F C 2.270 177.928 175.800 -0.236 0.000 1.143 1172 F CA 0.290 58.148 58.000 -0.237 0.000 1.387 1172 F CB 0.444 39.353 39.000 -0.151 0.000 1.019 1172 F HN 0.362 nan 8.300 nan 0.000 0.523 1173 G N -0.289 108.439 108.800 -0.121 0.000 2.470 1173 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.220 1173 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.220 1173 G C 1.372 176.168 174.900 -0.173 0.000 1.121 1173 G CA 0.656 45.668 45.100 -0.146 0.000 0.766 1173 G HN 0.369 nan 8.290 nan 0.000 0.553 1174 L N 0.081 121.168 121.223 -0.227 0.000 2.906 1174 L HA 0.671 5.011 4.340 -0.001 0.000 0.255 1174 L C 1.381 178.134 176.870 -0.196 0.000 1.166 1174 L CA -0.182 54.541 54.840 -0.195 0.000 0.977 1174 L CB 0.195 42.141 42.059 -0.189 0.000 1.313 1174 L HN 0.153 nan 8.230 nan 0.000 0.549 1175 A N 0.630 123.311 122.820 -0.232 0.000 2.313 1175 A HA 0.739 5.058 4.320 -0.001 0.000 0.261 1175 A C 0.262 177.825 177.584 -0.034 0.000 1.090 1175 A CA -0.128 51.820 52.037 -0.148 0.000 0.807 1175 A CB 0.417 19.375 19.000 -0.070 0.000 1.055 1175 A HN 0.463 nan 8.150 nan 0.000 0.492 1176 R N -0.374 120.127 120.500 0.002 0.000 2.764 1176 R HA 0.350 4.689 4.340 -0.001 0.000 0.276 1176 R C -1.330 174.989 176.300 0.033 0.000 1.021 1176 R CA -0.760 55.352 56.100 0.020 0.000 0.870 1176 R CB 0.516 30.843 30.300 0.045 0.000 1.293 1176 R HN 0.694 nan 8.270 nan 0.000 0.469 1177 Q N 1.145 120.995 119.800 0.082 0.000 2.279 1177 Q HA 0.431 4.770 4.340 -0.001 0.000 0.256 1177 Q C -0.565 175.479 176.000 0.073 0.000 0.937 1177 Q CA -0.151 55.724 55.803 0.119 0.000 0.933 1177 Q CB 1.388 30.268 28.738 0.237 0.000 1.189 1177 Q HN 0.617 nan 8.270 nan 0.000 0.417 1178 A N 4.143 126.995 122.820 0.054 0.000 2.540 1178 A HA 0.109 4.428 4.320 -0.001 0.000 0.239 1178 A C -0.327 177.252 177.584 -0.009 0.000 1.061 1178 A CA 0.328 52.371 52.037 0.010 0.000 0.758 1178 A CB 0.294 19.293 19.000 -0.001 0.000 0.991 1178 A HN 0.916 nan 8.150 nan 0.000 0.502 1179 D N 0.132 120.502 120.400 -0.050 0.000 2.798 1179 D HA 0.489 5.129 4.640 -0.001 0.000 0.308 1179 D C 1.054 177.294 176.300 -0.099 0.000 1.187 1179 D CA 0.111 54.079 54.000 -0.054 0.000 1.033 1179 D CB 1.127 41.907 40.800 -0.034 0.000 1.445 1179 D HN 0.209 nan 8.370 nan 0.000 0.550 1180 S N -0.717 114.931 115.700 -0.085 0.000 2.377 1180 S HA 0.048 4.518 4.470 -0.001 0.000 0.223 1180 S C 0.256 174.770 174.600 -0.143 0.000 1.030 1180 S CA 0.603 58.743 58.200 -0.100 0.000 0.970 1180 S CB -0.019 63.145 63.200 -0.061 0.000 0.830 1180 S HN 0.334 nan 8.310 nan 0.000 0.473 1181 E N 0.927 121.050 120.200 -0.128 0.000 2.255 1181 E HA 0.365 4.714 4.350 -0.001 0.000 0.245 1181 E C -0.934 175.566 176.600 -0.167 0.000 0.909 1181 E CA -0.117 56.195 56.400 -0.148 0.000 0.747 1181 E CB 0.674 30.324 29.700 -0.082 0.000 1.215 1181 E HN 0.301 nan 8.360 nan 0.000 0.424 1187 V N -0.856 118.989 119.914 -0.114 0.000 3.524 1187 V HA -0.100 4.019 4.120 -0.001 0.000 0.504 1187 V C 0.423 176.509 176.094 -0.014 0.000 0.682 1187 V CA 0.777 63.050 62.300 -0.046 0.000 2.055 1187 V CB -1.227 30.576 31.823 -0.034 0.000 2.484 1187 V HN 1.568 nan 8.190 nan 0.000 0.508 1188 T N 5.430 120.006 114.554 0.037 0.000 2.870 1188 T HA 0.184 4.534 4.350 -0.001 0.000 0.300 1188 T C 1.232 175.969 174.700 0.062 0.000 0.989 1188 T CA 0.505 62.621 62.100 0.026 0.000 1.139 1188 T CB 1.084 69.988 68.868 0.059 0.000 0.920 1188 T HN 0.842 nan 8.240 nan 0.000 0.537 1189 R N 2.215 122.685 120.500 -0.051 0.000 2.196 1189 R HA -0.205 4.135 4.340 -0.001 0.000 0.244 1189 R C 1.523 177.892 176.300 0.115 0.000 1.121 1189 R CA 2.313 58.404 56.100 -0.015 0.000 0.930 1189 R CB -0.223 30.024 30.300 -0.087 0.000 0.890 1189 R HN 0.713 nan 8.270 nan 0.000 0.435 1190 W N -0.734 120.532 121.300 -0.057 0.000 2.538 1190 W HA -0.112 4.547 4.660 -0.001 0.000 0.254 1190 W C 1.012 177.245 176.519 -0.477 0.000 1.249 1190 W CA 0.471 57.648 57.345 -0.281 0.000 1.253 1190 W CB -0.584 28.600 29.460 -0.460 0.000 1.130 1190 W HN 0.329 nan 8.180 nan 0.000 0.618 1191 Y N -0.870 119.631 120.300 0.336 0.000 2.500 1191 Y HA 0.250 4.800 4.550 -0.001 0.000 0.246 1191 Y C 1.221 177.343 175.900 0.369 0.000 1.146 1191 Y CA -0.860 57.439 58.100 0.332 0.000 1.230 1191 Y CB -0.289 38.282 38.460 0.184 0.000 1.214 1191 Y HN -0.333 nan 8.280 nan 0.000 0.526 1192 R N 1.966 122.647 120.500 0.302 0.000 2.389 1192 R HA 0.547 4.886 4.340 -0.001 0.000 0.295 1192 R C 0.049 176.262 176.300 -0.146 0.000 1.075 1192 R CA -0.087 56.071 56.100 0.097 0.000 1.005 1192 R CB 0.403 30.714 30.300 0.018 0.000 0.987 1192 R HN 0.193 nan 8.270 nan 0.000 0.452 1193 A N 6.519 129.078 122.820 -0.436 0.000 2.371 1193 A HA 0.288 4.607 4.320 -0.001 0.000 0.257 1193 A C -1.556 175.587 177.584 -0.734 0.000 1.089 1193 A CA -1.460 49.855 52.037 -1.203 0.000 0.794 1193 A CB 0.295 18.885 19.000 -0.682 0.000 1.029 1193 A HN 0.801 nan 8.150 nan 0.000 0.488 1194 P HA -0.250 nan 4.420 nan 0.000 0.216 1194 P C 1.000 178.184 177.300 -0.195 0.000 1.150 1194 P CA 1.721 64.574 63.100 -0.410 0.000 0.843 1194 P CB 0.035 31.495 31.700 -0.399 0.000 0.787 1195 E N 0.614 120.706 120.200 -0.180 0.000 2.401 1195 E HA -0.079 4.271 4.350 -0.001 0.000 0.199 1195 E C 1.801 178.425 176.600 0.039 0.000 1.023 1195 E CA 0.767 57.158 56.400 -0.014 0.000 0.859 1195 E CB -1.433 28.284 29.700 0.029 0.000 0.780 1195 E HN 0.115 nan 8.360 nan 0.000 0.523 1196 V N 1.175 121.049 119.914 -0.067 0.000 2.594 1196 V HA -0.196 3.923 4.120 -0.001 0.000 0.253 1196 V C 2.260 178.423 176.094 0.116 0.000 1.069 1196 V CA 1.499 63.744 62.300 -0.091 0.000 1.082 1196 V CB -0.437 31.230 31.823 -0.259 0.000 0.680 1196 V HN 0.273 nan 8.190 nan 0.000 0.469 1197 I N -1.559 119.090 120.570 0.131 0.000 3.194 1197 I HA 0.018 4.188 4.170 -0.001 0.000 0.271 1197 I C 2.009 178.249 176.117 0.204 0.000 1.150 1197 I CA 0.471 61.912 61.300 0.234 0.000 1.440 1197 I CB 0.011 38.097 38.000 0.144 0.000 1.276 1197 I HN 0.148 nan 8.210 nan 0.000 0.457 1198 L N 0.685 121.989 121.223 0.136 0.000 2.141 1198 L HA -0.124 4.216 4.340 -0.001 0.000 0.209 1198 L C 1.069 178.044 176.870 0.176 0.000 1.094 1198 L CA 1.125 56.049 54.840 0.140 0.000 0.763 1198 L CB -0.454 41.706 42.059 0.169 0.000 0.908 1198 L HN 0.284 nan 8.230 nan 0.000 0.437 1199 N N -0.156 118.664 118.700 0.199 0.000 2.699 1199 N HA -0.016 4.723 4.740 -0.001 0.000 0.317 1199 N C -0.600 175.065 175.510 0.257 0.000 1.661 1199 N CA -0.523 52.651 53.050 0.206 0.000 0.979 1199 N CB 0.053 38.641 38.487 0.168 0.000 1.329 1199 N HN 0.170 nan 8.380 nan 0.000 0.497 1200 W N 2.934 124.277 121.300 0.073 0.000 2.550 1200 W HA -0.169 4.490 4.660 -0.002 0.000 0.339 1200 W C 0.510 177.081 176.519 0.087 0.000 1.174 1200 W CA 0.832 58.224 57.345 0.077 0.000 1.243 1200 W CB 0.189 29.672 29.460 0.038 0.000 1.172 1200 W HN 0.436 nan 8.180 nan 0.000 0.566 1201 M N 3.243 122.626 119.600 -0.363 0.000 2.907 1201 M HA -0.335 4.144 4.480 -0.001 0.000 0.186 1201 M C 0.503 176.637 176.300 -0.278 0.000 0.631 1201 M CA 1.550 56.639 55.300 -0.352 0.000 0.700 1201 M CB -1.268 31.115 32.600 -0.361 0.000 2.523 1201 M HN 0.612 nan 8.290 nan 0.000 0.323 1202 R N -0.236 120.171 120.500 -0.155 0.000 2.668 1202 R HA 0.276 4.615 4.340 -0.001 0.000 0.435 1202 R C -0.316 175.888 176.300 -0.160 0.000 1.059 1202 R CA -0.242 55.744 56.100 -0.189 0.000 1.073 1202 R CB 0.345 30.612 30.300 -0.055 0.000 1.401 1202 R HN 0.479 nan 8.270 nan 0.000 0.590 1203 Y N -0.489 119.778 120.300 -0.054 0.000 2.289 1203 Y HA 0.557 5.106 4.550 -0.001 0.000 0.332 1203 Y C 0.920 176.798 175.900 -0.036 0.000 1.324 1203 Y CA -0.618 57.459 58.100 -0.038 0.000 1.478 1203 Y CB 0.208 38.638 38.460 -0.050 0.000 1.378 1203 Y HN -0.083 nan 8.280 nan 0.000 0.558 1204 T N -3.115 111.522 114.554 0.138 0.000 2.676 1204 T HA 0.253 4.602 4.350 -0.001 0.000 0.269 1204 T C 0.451 175.211 174.700 0.100 0.000 0.952 1204 T CA -0.895 61.227 62.100 0.036 0.000 1.040 1204 T CB 1.019 69.878 68.868 -0.016 0.000 1.352 1204 T HN 0.703 nan 8.240 nan 0.000 0.554 1205 Q N 0.427 120.198 119.800 -0.049 0.000 2.439 1205 Q HA -0.036 4.304 4.340 -0.001 0.000 0.211 1205 Q C 2.033 177.984 176.000 -0.080 0.000 0.978 1205 Q CA 1.559 57.249 55.803 -0.189 0.000 0.897 1205 Q CB -0.666 27.641 28.738 -0.718 0.000 0.956 1205 Q HN 0.909 nan 8.270 nan 0.000 0.483 1206 T N -1.597 112.968 114.554 0.018 0.000 3.007 1206 T HA -0.074 4.276 4.350 -0.001 0.000 0.270 1206 T C 1.996 176.815 174.700 0.198 0.000 1.107 1206 T CA 0.889 63.055 62.100 0.110 0.000 1.118 1206 T CB -0.529 68.405 68.868 0.111 0.000 0.889 1206 T HN 0.305 nan 8.240 nan 0.000 0.506 1207 V N 0.522 120.551 119.914 0.192 0.000 2.490 1207 V HA -0.134 3.985 4.120 -0.001 0.000 0.250 1207 V C 1.912 178.154 176.094 0.248 0.000 1.061 1207 V CA 1.873 64.291 62.300 0.197 0.000 1.064 1207 V CB -0.730 31.136 31.823 0.072 0.000 0.670 1207 V HN 0.215 nan 8.190 nan 0.000 0.461 1208 D N 0.509 121.053 120.400 0.241 0.000 2.224 1208 D HA -0.013 4.626 4.640 -0.001 0.000 0.205 1208 D C 2.114 178.536 176.300 0.204 0.000 0.965 1208 D CA 1.162 55.294 54.000 0.220 0.000 0.852 1208 D CB 0.004 40.971 40.800 0.277 0.000 0.947 1208 D HN 0.445 nan 8.370 nan 0.000 0.494 1209 I N 0.140 120.855 120.570 0.242 0.000 2.500 1209 I HA -0.162 4.007 4.170 -0.001 0.000 0.252 1209 I C 2.291 178.525 176.117 0.195 0.000 1.142 1209 I CA 0.476 61.893 61.300 0.195 0.000 1.451 1209 I CB -0.859 37.256 38.000 0.191 0.000 1.093 1209 I HN 0.239 nan 8.210 nan 0.000 0.430 1210 W N 2.234 123.605 121.300 0.117 0.000 2.332 1210 W HA -0.242 4.417 4.660 -0.000 0.000 0.321 1210 W C 2.566 179.177 176.519 0.153 0.000 1.219 1210 W CA 1.943 59.370 57.345 0.137 0.000 1.277 1210 W CB -0.411 29.126 29.460 0.127 0.000 1.161 1210 W HN 0.078 nan 8.180 nan 0.000 0.476 1211 S N 0.889 116.811 115.700 0.369 0.000 2.372 1211 S HA -0.238 4.232 4.470 -0.001 0.000 0.227 1211 S C 1.794 176.465 174.600 0.119 0.000 1.044 1211 S CA 2.012 60.385 58.200 0.288 0.000 1.050 1211 S CB -0.936 62.390 63.200 0.211 0.000 0.901 1211 S HN 0.163 nan 8.310 nan 0.000 0.447 1212 V N 1.509 121.456 119.914 0.055 0.000 2.490 1212 V HA -0.154 3.965 4.120 -0.001 0.000 0.250 1212 V C 2.517 178.599 176.094 -0.020 0.000 1.061 1212 V CA 1.826 64.129 62.300 0.005 0.000 1.064 1212 V CB -1.441 30.389 31.823 0.011 0.000 0.670 1212 V HN 0.605 nan 8.190 nan 0.000 0.461 1213 G N -1.182 107.572 108.800 -0.078 0.000 2.404 1213 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.215 1213 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.215 1213 G C 1.719 176.502 174.900 -0.196 0.000 1.174 1213 G CA 1.196 46.196 45.100 -0.167 0.000 0.780 1213 G HN 0.542 nan 8.290 nan 0.000 0.537 1214 C N 0.521 119.705 119.300 -0.193 0.000 2.425 1214 C HA 0.056 4.516 4.460 -0.001 0.000 0.277 1214 C C 2.834 177.839 174.990 0.025 0.000 1.280 1214 C CA 0.383 59.320 59.018 -0.134 0.000 1.744 1214 C CB -0.991 26.771 27.740 0.037 0.000 1.989 1214 C HN 0.456 nan 8.230 nan 0.000 0.491 1215 I N 0.283 120.916 120.570 0.106 0.000 2.202 1215 I HA -0.252 3.918 4.170 -0.001 0.000 0.242 1215 I C 2.720 178.839 176.117 0.003 0.000 1.091 1215 I CA 1.586 62.932 61.300 0.076 0.000 1.368 1215 I CB -0.537 37.449 38.000 -0.023 0.000 1.058 1215 I HN 0.339 nan 8.210 nan 0.000 0.410 1216 M N 0.805 120.392 119.600 -0.022 0.000 2.159 1216 M HA -0.198 4.281 4.480 -0.001 0.000 0.263 1216 M C 2.408 178.666 176.300 -0.069 0.000 1.063 1216 M CA 2.034 57.319 55.300 -0.025 0.000 1.110 1216 M CB -0.126 32.459 32.600 -0.025 0.000 1.374 1216 M HN 0.298 nan 8.290 nan 0.000 0.411 1217 A N -0.127 122.620 122.820 -0.122 0.000 1.902 1217 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 1217 A C 1.918 179.413 177.584 -0.148 0.000 1.181 1217 A CA 1.962 53.891 52.037 -0.181 0.000 0.623 1217 A CB -0.785 18.035 19.000 -0.299 0.000 0.818 1217 A HN 0.687 nan 8.150 nan 0.000 0.443 1218 E N -0.688 119.450 120.200 -0.103 0.000 2.106 1218 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 1218 E C 2.022 178.599 176.600 -0.038 0.000 0.984 1218 E CA 1.139 57.500 56.400 -0.065 0.000 0.806 1218 E CB -0.179 29.532 29.700 0.017 0.000 0.750 1218 E HN 0.665 nan 8.360 nan 0.000 0.458 1219 M N 0.206 119.793 119.600 -0.022 0.000 2.117 1219 M HA -0.178 4.301 4.480 -0.001 0.000 0.262 1219 M C 2.167 178.461 176.300 -0.011 0.000 1.065 1219 M CA 1.401 56.698 55.300 -0.005 0.000 1.114 1219 M CB -0.191 32.418 32.600 0.014 0.000 1.361 1219 M HN 0.193 nan 8.290 nan 0.000 0.408 1220 I N -0.508 120.045 120.570 -0.029 0.000 2.193 1220 I HA -0.237 3.933 4.170 -0.001 0.000 0.240 1220 I C 2.748 178.838 176.117 -0.045 0.000 1.084 1220 I CA 1.803 63.083 61.300 -0.033 0.000 1.365 1220 I CB -0.916 37.051 38.000 -0.055 0.000 1.064 1220 I HN 0.421 nan 8.210 nan 0.000 0.410 1221 T N -1.746 112.764 114.554 -0.073 0.000 2.809 1221 T HA 0.125 4.475 4.350 -0.001 0.000 0.260 1221 T C 1.737 176.400 174.700 -0.062 0.000 1.039 1221 T CA 1.168 63.220 62.100 -0.080 0.000 1.141 1221 T CB -0.015 68.781 68.868 -0.121 0.000 0.869 1221 T HN 0.563 nan 8.240 nan 0.000 0.437 1222 G N 0.565 109.330 108.800 -0.058 0.000 2.218 1222 G HA2 0.126 4.085 3.960 -0.001 0.000 0.216 1222 G HA3 0.126 4.085 3.960 -0.001 0.000 0.216 1222 G C 0.219 175.088 174.900 -0.052 0.000 0.994 1222 G CA 0.491 45.567 45.100 -0.039 0.000 0.637 1222 G HN 1.043 nan 8.290 nan 0.000 0.505 1223 K N 0.660 121.007 120.400 -0.088 0.000 2.156 1223 K HA 0.845 5.165 4.320 -0.001 0.000 0.250 1223 K C 0.304 176.806 176.600 -0.163 0.000 0.955 1223 K CA 0.295 56.510 56.287 -0.120 0.000 0.855 1223 K CB 0.701 33.118 32.500 -0.138 0.000 1.101 1223 K HN 0.624 nan 8.250 nan 0.000 0.434 1224 T N 2.641 117.070 114.554 -0.208 0.000 2.888 1224 T HA 0.094 4.443 4.350 -0.001 0.000 0.301 1224 T C 1.466 175.941 174.700 -0.374 0.000 1.001 1224 T CA -0.164 61.769 62.100 -0.278 0.000 1.147 1224 T CB 0.610 69.206 68.868 -0.452 0.000 0.931 1224 T HN 0.540 nan 8.240 nan 0.000 0.541 1225 L N 3.531 124.486 121.223 -0.446 0.000 1.994 1225 L HA 0.156 4.496 4.340 -0.001 0.000 0.208 1225 L C 0.215 176.641 176.870 -0.739 0.000 1.071 1225 L CA 1.867 56.284 54.840 -0.706 0.000 0.745 1225 L CB -0.215 41.237 42.059 -1.010 0.000 0.892 1225 L HN 0.594 nan 8.230 nan 0.000 0.431 1226 F N 0.647 120.473 119.950 -0.206 0.000 2.451 1226 F HA 0.462 4.989 4.527 -0.001 0.000 0.367 1226 F C 0.585 176.202 175.800 -0.304 0.000 1.100 1226 F CA -0.886 57.021 58.000 -0.154 0.000 1.171 1226 F CB -0.423 38.587 39.000 0.018 0.000 1.405 1226 F HN -0.147 nan 8.300 nan 0.000 0.482 1227 K N 1.607 121.777 120.400 -0.385 0.000 2.150 1227 K HA 0.667 4.987 4.320 -0.001 0.000 0.261 1227 K C 0.495 176.927 176.600 -0.281 0.000 1.127 1227 K CA -0.059 55.694 56.287 -0.890 0.000 0.989 1227 K CB -0.068 31.823 32.500 -1.015 0.000 1.475 1227 K HN 0.724 nan 8.250 nan 0.000 0.391 1228 G N 0.128 108.970 108.800 0.070 0.000 2.451 1228 G HA2 0.370 4.329 3.960 -0.001 0.000 0.303 1228 G HA3 0.370 4.329 3.960 -0.001 0.000 0.303 1228 G C 1.218 176.278 174.900 0.267 0.000 1.166 1228 G CA 0.297 45.498 45.100 0.167 0.000 0.884 1228 G HN 0.816 nan 8.290 nan 0.000 0.514 1229 S N -0.256 115.531 115.700 0.145 0.000 2.395 1229 S HA 0.009 4.478 4.470 -0.001 0.000 0.225 1229 S C 0.637 175.295 174.600 0.097 0.000 1.027 1229 S CA 1.240 59.519 58.200 0.132 0.000 0.965 1229 S CB -0.249 62.995 63.200 0.073 0.000 0.812 1229 S HN 0.776 nan 8.310 nan 0.000 0.482 1230 D N -0.345 120.077 120.400 0.036 0.000 2.610 1230 D HA 0.125 4.765 4.640 -0.001 0.000 0.271 1230 D C 0.897 177.167 176.300 -0.050 0.000 1.174 1230 D CA -0.455 53.537 54.000 -0.013 0.000 0.949 1230 D CB 0.344 41.083 40.800 -0.103 0.000 1.430 1230 D HN 0.297 nan 8.370 nan 0.000 0.467 1231 H N -0.224 118.807 119.070 -0.065 0.000 2.387 1231 H HA -0.080 4.475 4.556 -0.001 0.000 0.299 1231 H C 1.678 176.897 175.328 -0.182 0.000 1.099 1231 H CA 0.954 56.951 56.048 -0.085 0.000 1.315 1231 H CB -0.171 29.555 29.762 -0.059 0.000 1.380 1231 H HN 0.311 nan 8.280 nan 0.000 0.513 1232 L N 0.439 121.228 121.223 -0.724 0.000 2.095 1232 L HA -0.093 4.246 4.340 -0.001 0.000 0.204 1232 L C 2.428 178.800 176.870 -0.830 0.000 1.080 1232 L CA 1.428 55.704 54.840 -0.939 0.000 0.759 1232 L CB -0.393 40.914 42.059 -1.253 0.000 0.914 1232 L HN 0.234 nan 8.230 nan 0.000 0.439 1233 D N -0.301 119.835 120.400 -0.440 0.000 2.263 1233 D HA -0.243 4.397 4.640 -0.001 0.000 0.208 1233 D C 2.137 178.417 176.300 -0.033 0.000 0.971 1233 D CA 0.769 54.693 54.000 -0.127 0.000 0.867 1233 D CB 0.228 41.007 40.800 -0.035 0.000 0.929 1233 D HN 0.123 nan 8.370 nan 0.000 0.492 1234 Q N -0.124 119.648 119.800 -0.047 0.000 2.124 1234 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 1234 Q C 2.056 178.045 176.000 -0.018 0.000 0.977 1234 Q CA 1.152 56.975 55.803 0.032 0.000 0.850 1234 Q CB -0.258 28.525 28.738 0.074 0.000 0.901 1234 Q HN 0.396 nan 8.270 nan 0.000 0.429 1235 L N 0.162 121.350 121.223 -0.058 0.000 2.012 1235 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 1235 L C 2.530 179.428 176.870 0.046 0.000 1.073 1235 L CA 1.913 56.742 54.840 -0.018 0.000 0.748 1235 L CB -0.613 41.468 42.059 0.037 0.000 0.891 1235 L HN 0.268 nan 8.230 nan 0.000 0.431 1236 K N 0.012 120.504 120.400 0.152 0.000 2.032 1236 K HA -0.221 4.098 4.320 -0.001 0.000 0.209 1236 K C 2.098 178.728 176.600 0.051 0.000 1.048 1236 K CA 1.428 57.800 56.287 0.141 0.000 0.927 1236 K CB 0.043 32.667 32.500 0.207 0.000 0.712 1236 K HN 0.132 nan 8.250 nan 0.000 0.441 1237 E N 0.710 120.933 120.200 0.039 0.000 2.077 1237 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 1237 E C 2.058 178.624 176.600 -0.057 0.000 0.989 1237 E CA 1.297 57.726 56.400 0.049 0.000 0.800 1237 E CB -0.180 29.583 29.700 0.104 0.000 0.746 1237 E HN 0.454 nan 8.360 nan 0.000 0.452 1238 I N 0.666 121.058 120.570 -0.297 0.000 2.202 1238 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 1238 I C 2.452 178.387 176.117 -0.302 0.000 1.091 1238 I CA 0.861 61.703 61.300 -0.763 0.000 1.368 1238 I CB -0.293 37.359 38.000 -0.581 0.000 1.058 1238 I HN 0.089 nan 8.210 nan 0.000 0.410 1239 M N 0.851 120.382 119.600 -0.116 0.000 2.149 1239 M HA -0.232 4.248 4.480 -0.001 0.000 0.261 1239 M C 2.720 179.032 176.300 0.020 0.000 1.064 1239 M CA 2.138 57.429 55.300 -0.015 0.000 1.102 1239 M CB -1.428 31.183 32.600 0.019 0.000 1.369 1239 M HN 0.316 nan 8.290 nan 0.000 0.408 1240 K N 0.148 120.562 120.400 0.023 0.000 2.281 1240 K HA 0.014 4.333 4.320 -0.001 0.000 0.203 1240 K C 1.952 178.604 176.600 0.086 0.000 1.046 1240 K CA 1.686 58.004 56.287 0.053 0.000 0.938 1240 K CB -1.166 31.367 32.500 0.056 0.000 0.737 1240 K HN 0.361 nan 8.250 nan 0.000 0.458 1241 V N 0.312 120.293 119.914 0.112 0.000 2.690 1241 V HA -0.068 4.051 4.120 -0.001 0.000 0.240 1241 V C 2.629 178.874 176.094 0.251 0.000 1.078 1241 V CA 1.571 63.986 62.300 0.192 0.000 1.102 1241 V CB 0.707 32.723 31.823 0.321 0.000 0.800 1241 V HN 0.770 nan 8.190 nan 0.000 0.479 1242 T N -1.613 113.067 114.554 0.211 0.000 3.129 1242 T HA 0.430 4.779 4.350 -0.001 0.000 0.251 1242 T C 0.997 175.778 174.700 0.135 0.000 1.117 1242 T CA 0.624 62.865 62.100 0.235 0.000 1.034 1242 T CB -0.145 68.869 68.868 0.244 0.000 0.968 1242 T HN 1.137 nan 8.240 nan 0.000 0.526 1243 G N 1.438 110.298 108.800 0.101 0.000 2.814 1243 G HA2 0.002 3.961 3.960 -0.001 0.000 0.677 1243 G HA3 0.002 3.961 3.960 -0.001 0.000 0.677 1243 G C -0.252 174.682 174.900 0.056 0.000 1.429 1243 G CA -0.487 44.654 45.100 0.069 0.000 0.868 1243 G HN 1.167 nan 8.290 nan 0.000 0.553 1244 T N -0.235 114.347 114.554 0.047 0.000 2.929 1244 T HA 0.761 5.111 4.350 -0.001 0.000 0.284 1244 T C -2.087 172.649 174.700 0.061 0.000 1.014 1244 T CA -1.116 61.016 62.100 0.053 0.000 1.051 1244 T CB 1.954 70.847 68.868 0.041 0.000 1.028 1244 T HN 0.585 nan 8.240 nan 0.000 0.485 1245 P HA 0.328 nan 4.420 nan 0.000 0.274 1245 P C -2.392 174.983 177.300 0.125 0.000 1.256 1245 P CA -1.369 61.794 63.100 0.105 0.000 0.795 1245 P CB -0.550 31.304 31.700 0.256 0.000 1.038 1246 P HA 0.015 nan 4.420 nan 0.000 0.269 1246 P C 0.186 177.570 177.300 0.141 0.000 1.209 1246 P CA 0.034 63.198 63.100 0.106 0.000 0.776 1246 P CB 0.611 32.363 31.700 0.086 0.000 0.876 1247 A N 3.397 126.266 122.820 0.082 0.000 1.978 1247 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 1247 A C 1.944 179.559 177.584 0.053 0.000 1.170 1247 A CA 2.063 54.132 52.037 0.054 0.000 0.636 1247 A CB -1.032 17.983 19.000 0.026 0.000 0.810 1247 A HN 0.677 nan 8.150 nan 0.000 0.448 1248 E N -1.016 119.229 120.200 0.074 0.000 2.204 1248 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 1248 E C 1.555 178.211 176.600 0.094 0.000 0.989 1248 E CA 1.340 57.780 56.400 0.066 0.000 0.824 1248 E CB -0.723 29.017 29.700 0.066 0.000 0.756 1248 E HN 0.565 nan 8.360 nan 0.000 0.477 1249 F N 1.608 121.562 119.950 0.006 0.000 2.098 1249 F HA -0.073 4.453 4.527 -0.000 0.000 0.294 1249 F C 2.186 177.993 175.800 0.010 0.000 1.107 1249 F CA 1.524 59.530 58.000 0.010 0.000 1.234 1249 F CB -0.628 38.379 39.000 0.012 0.000 1.002 1249 F HN 0.033 nan 8.300 nan 0.000 0.472 1250 V N 1.010 120.776 119.914 -0.247 0.000 2.867 1250 V HA -0.196 3.923 4.120 -0.001 0.000 0.260 1250 V C 2.099 178.051 176.094 -0.237 0.000 1.099 1250 V CA 1.870 63.966 62.300 -0.340 0.000 1.122 1250 V CB -0.519 31.244 31.823 -0.100 0.000 0.708 1250 V HN 0.516 nan 8.190 nan 0.000 0.490 1251 Q N 0.566 120.277 119.800 -0.149 0.000 2.079 1251 Q HA -0.106 4.234 4.340 -0.001 0.000 0.200 1251 Q C 2.237 178.167 176.000 -0.115 0.000 0.974 1251 Q CA 1.785 57.529 55.803 -0.097 0.000 0.840 1251 Q CB -0.154 28.556 28.738 -0.047 0.000 0.898 1251 Q HN 0.678 nan 8.270 nan 0.000 0.430 1252 R N 0.133 120.545 120.500 -0.147 0.000 2.310 1252 R HA 0.190 4.530 4.340 -0.001 0.000 0.202 1252 R C 0.447 176.643 176.300 -0.174 0.000 0.933 1252 R CA -0.208 55.818 56.100 -0.123 0.000 1.054 1252 R CB -0.016 30.244 30.300 -0.065 0.000 0.985 1252 R HN 0.141 nan 8.270 nan 0.000 0.489 1253 L N 2.039 123.094 121.223 -0.280 0.000 2.578 1253 L HA -0.123 4.217 4.340 -0.001 0.000 0.279 1253 L C 1.823 178.622 176.870 -0.117 0.000 1.227 1253 L CA 0.057 54.744 54.840 -0.256 0.000 0.900 1253 L CB 0.455 42.348 42.059 -0.276 0.000 1.144 1253 L HN 0.138 nan 8.230 nan 0.000 0.496 1254 Q N 1.593 121.355 119.800 -0.063 0.000 2.046 1254 Q HA -0.094 4.245 4.340 -0.001 0.000 0.200 1254 Q C 0.871 176.856 176.000 -0.024 0.000 0.975 1254 Q CA 0.835 56.627 55.803 -0.020 0.000 0.836 1254 Q CB 0.116 28.869 28.738 0.025 0.000 0.896 1254 Q HN 0.662 nan 8.270 nan 0.000 0.428 1255 S N 1.259 116.946 115.700 -0.021 0.000 2.481 1255 S HA -0.011 4.459 4.470 -0.001 0.000 0.282 1255 S C 0.311 174.868 174.600 -0.072 0.000 1.243 1255 S CA -0.519 57.647 58.200 -0.057 0.000 1.078 1255 S CB 0.357 63.528 63.200 -0.048 0.000 0.916 1255 S HN 0.122 nan 8.310 nan 0.000 0.495 1256 D N 3.503 123.854 120.400 -0.081 0.000 2.084 1256 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 1256 D C 1.796 178.061 176.300 -0.058 0.000 0.990 1256 D CA 1.352 55.312 54.000 -0.066 0.000 0.826 1256 D CB -0.240 40.522 40.800 -0.064 0.000 0.971 1256 D HN 0.834 nan 8.370 nan 0.000 0.453 1257 E N 0.262 120.414 120.200 -0.081 0.000 2.070 1257 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 1257 E C 1.924 178.520 176.600 -0.006 0.000 1.004 1257 E CA 1.338 57.704 56.400 -0.057 0.000 0.805 1257 E CB -0.056 29.581 29.700 -0.104 0.000 0.744 1257 E HN 0.205 nan 8.360 nan 0.000 0.451 1258 A N 1.160 123.968 122.820 -0.020 0.000 1.930 1258 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 1258 A C 2.094 179.701 177.584 0.039 0.000 1.175 1258 A CA 1.561 53.618 52.037 0.032 0.000 0.627 1258 A CB -0.398 18.614 19.000 0.021 0.000 0.815 1258 A HN 0.188 nan 8.150 nan 0.000 0.443 1259 K N -0.004 120.385 120.400 -0.019 0.000 2.025 1259 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 1259 K C 1.793 178.376 176.600 -0.028 0.000 1.049 1259 K CA 1.707 57.965 56.287 -0.049 0.000 0.933 1259 K CB -0.325 32.131 32.500 -0.073 0.000 0.714 1259 K HN 0.646 nan 8.250 nan 0.000 0.438 1260 N N -0.584 118.109 118.700 -0.011 0.000 2.069 1260 N HA -0.223 4.517 4.740 -0.001 0.000 0.191 1260 N C 1.820 177.328 175.510 -0.004 0.000 1.031 1260 N CA 1.463 54.506 53.050 -0.011 0.000 0.852 1260 N CB -0.273 38.213 38.487 -0.002 0.000 1.018 1260 N HN 0.193 nan 8.380 nan 0.000 0.423 1261 Y N 1.566 121.833 120.300 -0.056 0.000 2.097 1261 Y HA -0.174 4.375 4.550 -0.001 0.000 0.282 1261 Y C 2.249 178.124 175.900 -0.042 0.000 1.152 1261 Y CA 1.532 59.600 58.100 -0.053 0.000 1.136 1261 Y CB -0.160 38.263 38.460 -0.062 0.000 0.975 1261 Y HN 0.026 nan 8.280 nan 0.000 0.498 1262 M N -0.093 119.487 119.600 -0.034 0.000 2.358 1262 M HA -0.178 4.301 4.480 -0.001 0.000 0.264 1262 M C 1.967 178.190 176.300 -0.129 0.000 1.064 1262 M CA 1.458 56.708 55.300 -0.083 0.000 1.093 1262 M CB -0.847 31.765 32.600 0.020 0.000 1.401 1262 M HN 0.173 nan 8.290 nan 0.000 0.440 1263 K N 0.294 120.623 120.400 -0.118 0.000 1.991 1263 K HA -0.003 4.316 4.320 -0.001 0.000 0.207 1263 K C 2.020 178.544 176.600 -0.127 0.000 1.045 1263 K CA 1.602 57.830 56.287 -0.099 0.000 0.937 1263 K CB -0.865 31.589 32.500 -0.076 0.000 0.720 1263 K HN 0.346 nan 8.250 nan 0.000 0.438 1264 G N 0.344 109.040 108.800 -0.173 0.000 2.471 1264 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.219 1264 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.219 1264 G C 0.316 175.086 174.900 -0.217 0.000 1.125 1264 G CA 0.078 45.071 45.100 -0.179 0.000 0.775 1264 G HN 0.183 nan 8.290 nan 0.000 0.548 1265 L N 1.447 122.485 121.223 -0.309 0.000 2.483 1265 L HA 0.331 4.670 4.340 -0.001 0.000 0.276 1265 L C -1.568 175.219 176.870 -0.139 0.000 1.213 1265 L CA -1.260 53.415 54.840 -0.275 0.000 0.843 1265 L CB 0.727 42.593 42.059 -0.321 0.000 1.107 1265 L HN -0.050 nan 8.230 nan 0.000 0.487 1266 P HA 0.078 nan 4.420 nan 0.000 0.280 1266 P C -1.420 175.858 177.300 -0.037 0.000 1.278 1266 P CA -0.330 62.737 63.100 -0.054 0.000 0.787 1266 P CB 0.334 32.012 31.700 -0.038 0.000 1.163 1267 E N 0.144 120.332 120.200 -0.019 0.000 2.063 1267 E HA 0.308 4.657 4.350 -0.001 0.000 0.265 1267 E C -1.036 175.566 176.600 0.005 0.000 0.919 1267 E CA -0.275 56.122 56.400 -0.005 0.000 0.756 1267 E CB -0.421 29.278 29.700 -0.001 0.000 1.120 1267 E HN 0.216 nan 8.360 nan 0.000 0.414 1268 L N 2.977 124.207 121.223 0.011 0.000 2.357 1268 L HA 0.509 4.848 4.340 -0.001 0.000 0.273 1268 L C 0.760 177.648 176.870 0.030 0.000 1.080 1268 L CA -0.271 54.582 54.840 0.021 0.000 0.803 1268 L CB 1.320 43.395 42.059 0.026 0.000 1.174 1268 L HN 0.511 nan 8.230 nan 0.000 0.443 1269 E N 2.549 122.770 120.200 0.034 0.000 2.222 1269 E HA 0.341 4.690 4.350 -0.001 0.000 0.272 1269 E C -0.651 175.983 176.600 0.057 0.000 0.982 1269 E CA -0.978 55.446 56.400 0.039 0.000 0.842 1269 E CB 1.256 30.975 29.700 0.031 0.000 1.144 1269 E HN 0.382 nan 8.360 nan 0.000 0.397 1270 K N 1.017 121.453 120.400 0.060 0.000 2.416 1270 K HA 0.398 4.718 4.320 -0.001 0.000 0.283 1270 K C 0.090 176.749 176.600 0.097 0.000 1.037 1270 K CA 0.271 56.610 56.287 0.088 0.000 0.995 1270 K CB 0.350 32.887 32.500 0.062 0.000 0.938 1270 K HN 0.718 nan 8.250 nan 0.000 0.475 1271 K N 2.961 123.451 120.400 0.151 0.000 2.110 1271 K HA 0.121 4.441 4.320 -0.001 0.000 0.263 1271 K C -0.177 176.550 176.600 0.211 0.000 0.975 1271 K CA -0.605 55.772 56.287 0.149 0.000 0.895 1271 K CB 0.557 33.140 32.500 0.138 0.000 1.060 1271 K HN 0.732 nan 8.250 nan 0.000 0.448 1272 D N 1.154 121.645 120.400 0.152 0.000 2.390 1272 D HA 0.095 4.735 4.640 -0.001 0.000 0.249 1272 D C 0.226 176.699 176.300 0.288 0.000 1.144 1272 D CA -0.212 53.879 54.000 0.152 0.000 0.880 1272 D CB 0.324 41.172 40.800 0.081 0.000 1.182 1272 D HN 0.357 nan 8.370 nan 0.000 0.451 1273 F N 2.626 122.573 119.950 -0.006 0.000 2.216 1273 F HA -0.095 4.431 4.527 -0.001 0.000 0.300 1273 F C 2.494 178.274 175.800 -0.033 0.000 1.085 1273 F CA 0.764 58.751 58.000 -0.021 0.000 1.326 1273 F CB -1.155 37.822 39.000 -0.039 0.000 1.027 1273 F HN 0.537 nan 8.300 nan 0.000 0.497 1274 A N -0.520 122.397 122.820 0.161 0.000 2.076 1274 A HA -0.137 4.182 4.320 -0.001 0.000 0.220 1274 A C 2.433 180.040 177.584 0.038 0.000 1.160 1274 A CA 1.831 53.909 52.037 0.069 0.000 0.653 1274 A CB -1.223 17.805 19.000 0.048 0.000 0.801 1274 A HN 0.404 nan 8.150 nan 0.000 0.455 1275 S N -0.563 115.167 115.700 0.051 0.000 2.489 1275 S HA 0.208 4.678 4.470 -0.001 0.000 0.228 1275 S C 1.741 176.339 174.600 -0.004 0.000 0.995 1275 S CA 1.211 59.426 58.200 0.026 0.000 0.934 1275 S CB -0.405 62.819 63.200 0.040 0.000 0.771 1275 S HN 0.503 nan 8.310 nan 0.000 0.522 1276 I N 0.192 120.746 120.570 -0.026 0.000 2.729 1276 I HA 0.127 4.296 4.170 -0.001 0.000 0.256 1276 I C -0.036 176.022 176.117 -0.098 0.000 1.115 1276 I CA 0.190 61.438 61.300 -0.086 0.000 1.446 1276 I CB -0.042 37.853 38.000 -0.175 0.000 1.176 1276 I HN 0.084 nan 8.210 nan 0.000 0.446 1277 L N 3.004 124.172 121.223 -0.093 0.000 2.448 1277 L HA 0.115 4.454 4.340 -0.001 0.000 0.278 1277 L C 1.707 178.548 176.870 -0.049 0.000 1.201 1277 L CA -0.321 54.467 54.840 -0.086 0.000 1.036 1277 L CB -0.393 41.615 42.059 -0.084 0.000 1.325 1277 L HN 0.365 nan 8.230 nan 0.000 0.441 1278 T N -0.266 114.259 114.554 -0.049 0.000 2.536 1278 T HA -0.289 4.060 4.350 -0.001 0.000 0.263 1278 T C 1.087 175.774 174.700 -0.021 0.000 1.115 1278 T CA 2.086 64.168 62.100 -0.031 0.000 1.180 1278 T CB -0.589 68.259 68.868 -0.032 0.000 0.864 1278 T HN 0.784 nan 8.240 nan 0.000 0.419 1279 N N 1.683 120.370 118.700 -0.022 0.000 2.320 1279 N HA 0.506 5.246 4.740 -0.001 0.000 0.237 1279 N C 0.228 175.733 175.510 -0.008 0.000 1.129 1279 N CA -0.375 52.669 53.050 -0.011 0.000 0.854 1279 N CB 0.293 38.775 38.487 -0.007 0.000 1.083 1279 N HN 0.657 nan 8.380 nan 0.000 0.504 1280 A N 1.020 123.830 122.820 -0.017 0.000 2.313 1280 A HA 0.414 4.733 4.320 -0.001 0.000 0.261 1280 A C 0.648 178.229 177.584 -0.005 0.000 1.090 1280 A CA -0.521 51.505 52.037 -0.018 0.000 0.807 1280 A CB 0.548 19.520 19.000 -0.046 0.000 1.055 1280 A HN 0.466 nan 8.150 nan 0.000 0.492 1281 S N 1.026 116.729 115.700 0.004 0.000 2.632 1281 S HA 0.440 4.909 4.470 -0.001 0.000 0.267 1281 S C -1.365 173.238 174.600 0.004 0.000 1.276 1281 S CA -0.598 57.616 58.200 0.025 0.000 0.998 1281 S CB 0.899 64.147 63.200 0.080 0.000 0.953 1281 S HN 0.526 nan 8.310 nan 0.000 0.547 1282 P HA -0.115 nan 4.420 nan 0.000 0.214 1282 P C 1.677 178.987 177.300 0.016 0.000 1.163 1282 P CA 1.176 64.285 63.100 0.016 0.000 0.883 1282 P CB -0.135 31.579 31.700 0.022 0.000 0.788 1283 L N -0.604 120.650 121.223 0.052 0.000 2.083 1283 L HA -0.145 4.195 4.340 -0.001 0.000 0.209 1283 L C 2.860 179.687 176.870 -0.073 0.000 1.083 1283 L CA 1.538 56.442 54.840 0.107 0.000 0.752 1283 L CB -1.175 41.012 42.059 0.214 0.000 0.899 1283 L HN -0.044 nan 8.230 nan 0.000 0.433 1284 A N -0.335 122.343 122.820 -0.237 0.000 1.902 1284 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 1284 A C 2.333 179.713 177.584 -0.340 0.000 1.181 1284 A CA 1.743 53.419 52.037 -0.600 0.000 0.623 1284 A CB -0.783 17.959 19.000 -0.431 0.000 0.818 1284 A HN 0.186 nan 8.150 nan 0.000 0.443 1285 V N 0.660 120.484 119.914 -0.150 0.000 2.343 1285 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 1285 V C 2.395 178.460 176.094 -0.049 0.000 1.051 1285 V CA 2.327 64.600 62.300 -0.045 0.000 1.036 1285 V CB -1.134 30.695 31.823 0.010 0.000 0.654 1285 V HN 0.779 nan 8.190 nan 0.000 0.451 1286 N N 0.154 118.817 118.700 -0.061 0.000 2.058 1286 N HA -0.189 4.551 4.740 -0.001 0.000 0.191 1286 N C 1.721 177.146 175.510 -0.141 0.000 1.037 1286 N CA 1.553 54.583 53.050 -0.034 0.000 0.848 1286 N CB -0.275 38.274 38.487 0.103 0.000 1.021 1286 N HN 0.322 nan 8.380 nan 0.000 0.422 1287 L N 0.707 121.701 121.223 -0.383 0.000 2.012 1287 L HA -0.077 4.262 4.340 -0.001 0.000 0.210 1287 L C 1.964 178.672 176.870 -0.270 0.000 1.073 1287 L CA 1.543 56.027 54.840 -0.592 0.000 0.748 1287 L CB -0.793 40.771 42.059 -0.824 0.000 0.891 1287 L HN 0.342 nan 8.230 nan 0.000 0.431 1288 L N -0.756 120.351 121.223 -0.192 0.000 2.042 1288 L HA -0.259 4.081 4.340 -0.001 0.000 0.210 1288 L C 2.588 179.507 176.870 0.082 0.000 1.076 1288 L CA 1.696 56.515 54.840 -0.034 0.000 0.749 1288 L CB -0.495 41.578 42.059 0.023 0.000 0.893 1288 L HN 0.363 nan 8.230 nan 0.000 0.432 1289 E N 0.246 120.433 120.200 -0.022 0.000 2.118 1289 E HA -0.242 4.108 4.350 -0.001 0.000 0.195 1289 E C 2.121 178.610 176.600 -0.185 0.000 0.992 1289 E CA 1.375 57.565 56.400 -0.351 0.000 0.804 1289 E CB 0.135 29.587 29.700 -0.412 0.000 0.741 1289 E HN 0.284 nan 8.360 nan 0.000 0.458 1290 K N -0.743 119.597 120.400 -0.101 0.000 2.228 1290 K HA 0.003 4.323 4.320 -0.001 0.000 0.202 1290 K C 1.969 178.572 176.600 0.004 0.000 1.051 1290 K CA 1.050 57.314 56.287 -0.039 0.000 0.960 1290 K CB 0.074 32.565 32.500 -0.015 0.000 0.743 1290 K HN 0.229 nan 8.250 nan 0.000 0.458 1291 M N 0.074 119.669 119.600 -0.009 0.000 2.394 1291 M HA 0.002 4.481 4.480 -0.001 0.000 0.266 1291 M C 1.148 177.455 176.300 0.011 0.000 1.098 1291 M CA 1.034 56.344 55.300 0.017 0.000 1.149 1291 M CB 0.234 32.822 32.600 -0.019 0.000 1.369 1291 M HN 0.028 nan 8.290 nan 0.000 0.450 1292 L N 0.829 122.043 121.223 -0.015 0.000 2.783 1292 L HA 0.204 4.544 4.340 -0.001 0.000 0.236 1292 L C -0.048 176.962 176.870 0.233 0.000 1.225 1292 L CA -0.616 54.163 54.840 -0.102 0.000 1.026 1292 L CB -0.073 41.928 42.059 -0.098 0.000 1.314 1292 L HN -0.051 nan 8.230 nan 0.000 0.489 1293 V N 0.690 120.739 119.914 0.225 0.000 2.715 1293 V HA -0.082 4.037 4.120 -0.001 0.000 0.299 1293 V C 1.279 177.577 176.094 0.340 0.000 1.054 1293 V CA -0.033 62.390 62.300 0.205 0.000 1.077 1293 V CB 2.037 33.919 31.823 0.098 0.000 0.972 1293 V HN 0.289 nan 8.190 nan 0.000 0.484 1294 L N 2.965 124.332 121.223 0.239 0.000 2.141 1294 L HA 0.038 4.377 4.340 -0.001 0.000 0.209 1294 L C 1.212 178.117 176.870 0.059 0.000 1.094 1294 L CA 1.431 56.364 54.840 0.156 0.000 0.763 1294 L CB -0.275 41.832 42.059 0.080 0.000 0.908 1294 L HN 0.792 nan 8.230 nan 0.000 0.437 1295 D N -0.600 119.825 120.400 0.043 0.000 2.402 1295 D HA 0.213 4.853 4.640 -0.001 0.000 0.235 1295 D C 1.365 177.693 176.300 0.045 0.000 1.226 1295 D CA 0.639 54.638 54.000 -0.001 0.000 0.918 1295 D CB 1.201 41.986 40.800 -0.025 0.000 1.043 1295 D HN 0.274 nan 8.370 nan 0.000 0.506 1296 A N 4.779 127.627 122.820 0.046 0.000 1.971 1296 A HA -0.253 4.067 4.320 -0.001 0.000 0.222 1296 A C 1.961 179.582 177.584 0.062 0.000 1.182 1296 A CA 1.383 53.464 52.037 0.074 0.000 0.649 1296 A CB -0.282 18.755 19.000 0.063 0.000 0.818 1296 A HN 0.602 nan 8.150 nan 0.000 0.458 1297 E N -0.405 119.816 120.200 0.035 0.000 2.072 1297 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 1297 E C 2.005 178.626 176.600 0.035 0.000 0.985 1297 E CA 1.104 57.521 56.400 0.029 0.000 0.801 1297 E CB -0.336 29.372 29.700 0.013 0.000 0.750 1297 E HN 0.660 nan 8.360 nan 0.000 0.452 1298 Q N 0.402 120.222 119.800 0.033 0.000 2.435 1298 Q HA 0.007 4.346 4.340 -0.001 0.000 0.207 1298 Q C 0.776 176.808 176.000 0.054 0.000 0.956 1298 Q CA 0.093 55.917 55.803 0.035 0.000 0.917 1298 Q CB -0.193 28.557 28.738 0.021 0.000 0.997 1298 Q HN 0.076 nan 8.270 nan 0.000 0.497 1299 R N 0.851 121.396 120.500 0.076 0.000 2.449 1299 R HA 0.115 4.455 4.340 -0.001 0.000 0.296 1299 R C -0.167 176.189 176.300 0.093 0.000 1.047 1299 R CA -0.074 56.087 56.100 0.103 0.000 1.018 1299 R CB 0.477 30.869 30.300 0.153 0.000 0.962 1299 R HN -0.098 nan 8.270 nan 0.000 0.428 1300 V N 4.322 124.291 119.914 0.091 0.000 3.061 1300 V HA -0.041 4.078 4.120 -0.001 0.000 0.306 1300 V C 0.494 176.654 176.094 0.110 0.000 1.118 1300 V CA 0.954 63.312 62.300 0.098 0.000 1.231 1300 V CB 1.111 32.993 31.823 0.098 0.000 0.956 1300 V HN 1.064 nan 8.190 nan 0.000 0.499 1301 T N 2.874 117.495 114.554 0.112 0.000 2.936 1301 T HA 0.637 4.987 4.350 -0.001 0.000 0.282 1301 T C 1.086 175.872 174.700 0.144 0.000 1.003 1301 T CA -0.144 62.029 62.100 0.121 0.000 1.005 1301 T CB 1.613 70.541 68.868 0.100 0.000 1.097 1301 T HN 0.935 nan 8.240 nan 0.000 0.532 1302 A N 0.961 123.882 122.820 0.168 0.000 1.908 1302 A HA 0.124 4.444 4.320 -0.001 0.000 0.218 1302 A C 2.401 180.052 177.584 0.112 0.000 1.181 1302 A CA 2.068 54.184 52.037 0.132 0.000 0.627 1302 A CB -1.779 17.295 19.000 0.122 0.000 0.818 1302 A HN 1.116 nan 8.150 nan 0.000 0.445 1303 G N -0.430 108.440 108.800 0.116 0.000 2.459 1303 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 1303 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 1303 G C 1.425 176.407 174.900 0.136 0.000 1.183 1303 G CA 1.033 46.198 45.100 0.109 0.000 0.776 1303 G HN 0.659 nan 8.290 nan 0.000 0.552 1304 E N 0.656 120.939 120.200 0.138 0.000 2.085 1304 E HA -0.075 4.275 4.350 -0.001 0.000 0.194 1304 E C 2.955 179.688 176.600 0.222 0.000 0.994 1304 E CA 0.744 57.239 56.400 0.158 0.000 0.801 1304 E CB -0.248 29.533 29.700 0.134 0.000 0.743 1304 E HN 0.398 nan 8.360 nan 0.000 0.453 1305 A N 1.463 124.416 122.820 0.222 0.000 1.892 1305 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 1305 A C 2.235 180.113 177.584 0.491 0.000 1.188 1305 A CA 1.389 53.610 52.037 0.306 0.000 0.631 1305 A CB -0.819 18.328 19.000 0.245 0.000 0.822 1305 A HN 0.156 nan 8.150 nan 0.000 0.447 1306 L N -0.949 120.468 121.223 0.324 0.000 2.083 1306 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 1306 L C 2.936 180.074 176.870 0.446 0.000 1.083 1306 L CA 0.958 55.989 54.840 0.319 0.000 0.752 1306 L CB -0.459 41.688 42.059 0.146 0.000 0.899 1306 L HN 0.444 nan 8.230 nan 0.000 0.433 1307 A N -1.858 121.158 122.820 0.327 0.000 2.172 1307 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 1307 A C 1.156 178.903 177.584 0.272 0.000 1.154 1307 A CA 0.345 52.535 52.037 0.256 0.000 0.701 1307 A CB -0.831 18.276 19.000 0.178 0.000 0.789 1307 A HN 0.369 nan 8.150 nan 0.000 0.465 1308 H N 0.151 119.379 119.070 0.263 0.000 2.871 1308 H HA 0.079 4.635 4.556 -0.001 0.000 0.355 1308 H C -1.812 173.586 175.328 0.116 0.000 1.092 1308 H CA -1.049 55.099 56.048 0.167 0.000 1.420 1308 H CB 0.995 30.841 29.762 0.142 0.000 1.400 1308 H HN -0.004 nan 8.280 nan 0.000 0.604 1309 P HA -0.150 nan 4.420 nan 0.000 0.226 1309 P C 0.879 178.204 177.300 0.042 0.000 1.146 1309 P CA 0.859 63.889 63.100 -0.117 0.000 0.773 1309 P CB -0.207 31.349 31.700 -0.240 0.000 0.772 1310 Y N -0.365 119.972 120.300 0.061 0.000 2.242 1310 Y HA -0.080 4.469 4.550 -0.001 0.000 0.291 1310 Y C 1.206 176.945 175.900 -0.268 0.000 1.137 1310 Y CA 1.260 59.254 58.100 -0.178 0.000 1.181 1310 Y CB -0.663 37.517 38.460 -0.466 0.000 0.989 1310 Y HN -0.154 nan 8.280 nan 0.000 0.527 1311 F N 0.809 120.778 119.950 0.033 0.000 2.701 1311 F HA 0.199 4.725 4.527 -0.001 0.000 0.295 1311 F C 1.901 177.596 175.800 -0.174 0.000 1.165 1311 F CA -0.221 57.681 58.000 -0.164 0.000 1.399 1311 F CB -0.860 38.130 39.000 -0.016 0.000 0.996 1311 F HN 0.161 nan 8.300 nan 0.000 0.513 1312 E N 0.977 121.169 120.200 -0.013 0.000 2.049 1312 E HA -0.235 4.114 4.350 -0.001 0.000 0.198 1312 E C 2.095 178.658 176.600 -0.062 0.000 1.007 1312 E CA 1.907 58.292 56.400 -0.025 0.000 0.809 1312 E CB 0.008 29.686 29.700 -0.035 0.000 0.749 1312 E HN 0.368 nan 8.360 nan 0.000 0.450 1313 S N -0.548 115.093 115.700 -0.098 0.000 2.660 1313 S HA -0.009 4.461 4.470 -0.001 0.000 0.228 1313 S C 1.501 176.016 174.600 -0.140 0.000 0.966 1313 S CA 0.393 58.530 58.200 -0.105 0.000 0.940 1313 S CB -0.057 63.078 63.200 -0.109 0.000 0.773 1313 S HN 0.331 nan 8.310 nan 0.000 0.535 1314 L N -1.052 120.049 121.223 -0.203 0.000 2.902 1314 L HA 0.322 4.662 4.340 -0.001 0.000 0.254 1314 L C 1.724 178.435 176.870 -0.264 0.000 1.115 1314 L CA 0.194 54.837 54.840 -0.328 0.000 0.947 1314 L CB -1.162 40.463 42.059 -0.723 0.000 1.369 1314 L HN 0.550 nan 8.230 nan 0.000 0.538 1323 V N -2.519 117.457 119.914 0.103 0.000 2.864 1323 V HA 1.031 5.151 4.120 -0.001 0.000 0.314 1323 V C 0.041 176.185 176.094 0.084 0.000 1.073 1323 V CA 0.186 62.553 62.300 0.112 0.000 0.956 1323 V CB 1.183 33.038 31.823 0.052 0.000 1.023 1323 V HN 2.069 nan 8.190 nan 0.000 0.435 1324 Q N 2.683 122.552 119.800 0.115 0.000 2.307 1324 Q HA 0.396 4.736 4.340 -0.001 0.000 0.259 1324 Q C 0.159 176.280 176.000 0.203 0.000 0.998 1324 Q CA -0.516 55.372 55.803 0.142 0.000 0.923 1324 Q CB 0.260 29.093 28.738 0.157 0.000 1.196 1324 Q HN 0.859 nan 8.270 nan 0.000 0.416 1325 K N 1.810 122.283 120.400 0.123 0.000 2.448 1325 K HA 0.124 4.443 4.320 -0.001 0.000 0.278 1325 K C -0.259 176.379 176.600 0.064 0.000 1.009 1325 K CA -0.087 56.256 56.287 0.092 0.000 0.995 1325 K CB 0.294 32.820 32.500 0.044 0.000 0.917 1325 K HN 0.785 nan 8.250 nan 0.000 0.481 1326 Y N 2.111 122.299 120.300 -0.187 0.000 2.397 1326 Y HA -0.004 4.545 4.550 -0.001 0.000 0.335 1326 Y C -0.082 175.694 175.900 -0.207 0.000 1.213 1326 Y CA 0.278 58.084 58.100 -0.490 0.000 1.391 1326 Y CB 0.805 38.945 38.460 -0.534 0.000 1.293 1326 Y HN 0.625 nan 8.280 nan 0.000 0.557 1327 D N 2.479 122.353 120.400 -0.877 0.000 2.523 1327 D HA 0.453 5.092 4.640 -0.001 0.000 0.236 1327 D C -1.830 174.037 176.300 -0.721 0.000 1.094 1327 D CA -0.247 53.417 54.000 -0.559 0.000 0.942 1327 D CB 1.789 42.418 40.800 -0.285 0.000 1.447 1327 D HN 0.690 nan 8.370 nan 0.000 0.479 1328 D N -0.814 119.392 120.400 -0.323 0.000 2.764 1328 D HA 0.563 5.202 4.640 -0.001 0.000 0.293 1328 D C -1.672 174.608 176.300 -0.033 0.000 1.287 1328 D CA -0.281 53.624 54.000 -0.159 0.000 0.768 1328 D CB 1.026 41.794 40.800 -0.052 0.000 1.288 1328 D HN 0.337 nan 8.370 nan 0.000 0.426 1336 T N -1.186 113.296 114.554 -0.120 0.000 2.788 1336 T HA 0.592 4.941 4.350 -0.001 0.000 0.287 1336 T C 2.182 176.949 174.700 0.112 0.000 1.007 1336 T CA 0.404 62.507 62.100 0.006 0.000 1.005 1336 T CB 0.795 69.648 68.868 -0.025 0.000 1.012 1336 T HN 1.993 nan 8.240 nan 0.000 0.530 1337 L N 0.176 121.488 121.223 0.149 0.000 2.079 1337 L HA 0.004 4.344 4.340 -0.001 0.000 0.210 1337 L C 2.402 179.341 176.870 0.115 0.000 1.081 1337 L CA 2.598 57.558 54.840 0.200 0.000 0.752 1337 L CB -1.967 40.160 42.059 0.112 0.000 0.896 1337 L HN 0.887 nan 8.230 nan 0.000 0.433 1338 D N -1.370 119.041 120.400 0.019 0.000 2.317 1338 D HA -0.060 4.579 4.640 -0.001 0.000 0.211 1338 D C 2.152 178.415 176.300 -0.062 0.000 0.966 1338 D CA 0.968 54.941 54.000 -0.046 0.000 0.876 1338 D CB 0.082 40.852 40.800 -0.051 0.000 0.927 1338 D HN 0.734 nan 8.370 nan 0.000 0.519 1339 E N -0.956 119.194 120.200 -0.083 0.000 2.076 1339 E HA -0.082 4.267 4.350 -0.001 0.000 0.190 1339 E C 1.664 178.153 176.600 -0.184 0.000 0.979 1339 E CA 0.443 56.732 56.400 -0.185 0.000 0.807 1339 E CB -0.010 29.502 29.700 -0.313 0.000 0.761 1339 E HN 0.392 nan 8.360 nan 0.000 0.454 1340 W N 1.572 122.842 121.300 -0.049 0.000 2.379 1340 W HA -0.115 4.544 4.660 -0.001 0.000 0.307 1340 W C 2.469 179.004 176.519 0.028 0.000 1.200 1340 W CA 0.771 58.116 57.345 -0.001 0.000 1.297 1340 W CB 0.023 29.546 29.460 0.105 0.000 1.140 1340 W HN -0.025 nan 8.180 nan 0.000 0.507 1341 K N 0.695 121.116 120.400 0.034 0.000 2.063 1341 K HA -0.253 4.067 4.320 -0.001 0.000 0.208 1341 K C 2.538 179.118 176.600 -0.035 0.000 1.048 1341 K CA 2.348 58.323 56.287 -0.519 0.000 0.928 1341 K CB -0.204 31.875 32.500 -0.702 0.000 0.713 1341 K HN 0.103 nan 8.250 nan 0.000 0.442 1342 R N 0.353 120.855 120.500 0.005 0.000 2.062 1342 R HA 0.012 4.352 4.340 -0.001 0.000 0.229 1342 R C 2.622 178.996 176.300 0.124 0.000 1.128 1342 R CA 1.633 57.771 56.100 0.064 0.000 0.960 1342 R CB -1.906 28.392 30.300 -0.002 0.000 0.855 1342 R HN 0.294 nan 8.270 nan 0.000 0.432 1343 V N 0.483 120.448 119.914 0.085 0.000 2.392 1343 V HA -0.222 3.898 4.120 -0.001 0.000 0.249 1343 V C 2.513 178.800 176.094 0.322 0.000 1.059 1343 V CA 3.054 65.428 62.300 0.123 0.000 1.051 1343 V CB -1.013 30.766 31.823 -0.074 0.000 0.658 1343 V HN 0.508 nan 8.190 nan 0.000 0.455 1344 T N -1.387 113.415 114.554 0.413 0.000 2.701 1344 T HA -0.155 4.195 4.350 -0.001 0.000 0.263 1344 T C 1.919 176.756 174.700 0.229 0.000 1.040 1344 T CA 1.787 64.163 62.100 0.460 0.000 1.147 1344 T CB -0.378 68.883 68.868 0.654 0.000 0.865 1344 T HN 0.724 nan 8.240 nan 0.000 0.426 1345 Y N 2.700 123.040 120.300 0.066 0.000 2.139 1345 Y HA -0.247 4.302 4.550 -0.001 0.000 0.282 1345 Y C 2.629 178.401 175.900 -0.213 0.000 1.179 1345 Y CA 1.957 59.827 58.100 -0.383 0.000 1.161 1345 Y CB -0.821 37.351 38.460 -0.481 0.000 0.970 1345 Y HN 0.211 nan 8.280 nan 0.000 0.511 1346 K N 0.285 120.651 120.400 -0.058 0.000 2.026 1346 K HA -0.133 4.187 4.320 -0.001 0.000 0.208 1346 K C 1.836 178.391 176.600 -0.076 0.000 1.048 1346 K CA 1.777 58.011 56.287 -0.088 0.000 0.929 1346 K CB -0.801 31.715 32.500 0.026 0.000 0.713 1346 K HN 0.471 nan 8.250 nan 0.000 0.439 1347 E N 0.438 120.637 120.200 -0.001 0.000 2.338 1347 E HA -0.049 4.300 4.350 -0.001 0.000 0.197 1347 E C 2.019 178.596 176.600 -0.039 0.000 1.007 1347 E CA 1.040 57.443 56.400 0.006 0.000 0.849 1347 E CB -0.032 29.678 29.700 0.016 0.000 0.774 1347 E HN 0.388 nan 8.360 nan 0.000 0.506 1348 V N 0.963 120.792 119.914 -0.143 0.000 2.379 1348 V HA -0.151 3.969 4.120 -0.001 0.000 0.243 1348 V C 2.371 178.414 176.094 -0.084 0.000 1.035 1348 V CA 0.983 63.193 62.300 -0.151 0.000 1.035 1348 V CB -0.353 31.311 31.823 -0.265 0.000 0.673 1348 V HN 0.203 nan 8.190 nan 0.000 0.457 1349 L N 1.008 122.091 121.223 -0.234 0.000 2.217 1349 L HA -0.057 4.283 4.340 -0.001 0.000 0.211 1349 L C 2.310 179.156 176.870 -0.040 0.000 1.107 1349 L CA 1.492 56.225 54.840 -0.178 0.000 0.783 1349 L CB -0.593 41.249 42.059 -0.361 0.000 0.919 1349 L HN 0.522 nan 8.230 nan 0.000 0.442 1350 S N -0.922 114.770 115.700 -0.013 0.000 2.650 1350 S HA -0.020 4.449 4.470 -0.001 0.000 0.219 1350 S C 0.388 175.044 174.600 0.093 0.000 0.960 1350 S CA -0.446 57.770 58.200 0.027 0.000 0.925 1350 S CB -0.603 62.608 63.200 0.018 0.000 0.775 1350 S HN 0.192 nan 8.310 nan 0.000 0.525 1351 F N 3.297 123.242 119.950 -0.008 0.000 2.467 1351 F HA 0.510 5.036 4.527 -0.001 0.000 0.362 1351 F C 0.333 176.153 175.800 0.033 0.000 1.090 1351 F CA -0.444 57.570 58.000 0.023 0.000 1.202 1351 F CB 0.238 39.269 39.000 0.050 0.000 1.113 1351 F HN 0.178 nan 8.300 nan 0.000 0.541 1352 K N 7.098 127.042 120.400 -0.759 0.000 2.307 1352 K HA 0.602 4.921 4.320 -0.001 0.000 0.263 1352 K C -2.583 173.464 176.600 -0.921 0.000 0.973 1352 K CA -1.804 54.134 56.287 -0.581 0.000 0.846 1352 K CB 0.122 32.442 32.500 -0.301 0.000 1.100 1352 K HN 0.547 nan 8.250 nan 0.000 0.438 1353 P HA 0.000 nan 4.420 nan 0.000 0.216 1353 P CA 0.000 62.938 63.100 -0.270 0.000 0.800 1353 P CB 0.000 31.688 31.700 -0.020 0.000 0.726