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 2izp_1_A DATA FIRST_RESID 1030 DATA SEQUENCE AGARAMTDDD LRAAGVDRRV PEQKLGAAID EFASLRLPDR IDGRFVDGRR DATA SEQUENCE ANLTVFDDAR VAVRGHARAQ RNLLERLETE LLGGTLDTAG DEGGIQPDPI DATA SEQUENCE LQGLVDVIGQ GKSDIDAYAT IVEGLTKYFQ SVADVMSKLQ DYISAKDDKN DATA SEQUENCE MKIDGGKIKA LIQQVIDHLP TMQLPKGADI ARWRKELGDA VSISDSGVVT DATA SEQUENCE INPDKLIKMR DSLPPDGTVW DTARYQAWNT AFSGQKDNIQ NDVQTLVEKY DATA SEQUENCE SHQNSNFDNL VKVLSGAIST LT 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 1030 A HA 0.000 nan 4.320 nan 0.000 0.244 1030 A C 0.000 177.586 177.584 0.004 0.000 1.274 1030 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1030 A CB 0.000 19.003 19.000 0.004 0.000 0.831 1031 G N 1.627 110.429 108.800 0.003 0.000 2.662 1031 G HA2 0.494 4.453 3.960 -0.002 0.000 0.285 1031 G HA3 0.494 4.453 3.960 -0.002 0.000 0.285 1031 G C 0.479 175.379 174.900 0.000 0.000 0.672 1031 G CA 0.762 45.862 45.100 0.000 0.000 2.098 1031 G HN 1.573 nan 8.290 nan 0.000 0.538 1032 A N 4.458 127.278 122.820 -0.000 0.000 2.897 1032 A HA 0.298 4.617 4.320 -0.002 0.000 0.287 1032 A C 1.270 178.850 177.584 -0.007 0.000 1.748 1032 A CA -0.525 51.512 52.037 -0.000 0.000 1.397 1032 A CB -0.232 18.769 19.000 0.001 0.000 1.049 1032 A HN 0.733 nan 8.150 nan 0.000 0.592 1033 R N 1.652 122.149 120.500 -0.005 0.000 2.489 1033 R HA 0.443 4.781 4.340 -0.002 0.000 0.287 1033 R C -0.195 176.097 176.300 -0.013 0.000 1.053 1033 R CA 0.651 56.745 56.100 -0.009 0.000 1.036 1033 R CB 0.180 30.477 30.300 -0.004 0.000 0.966 1033 R HN 0.898 nan 8.270 nan 0.000 0.432 1034 A N 4.175 126.980 122.820 -0.025 0.000 3.076 1034 A HA 0.192 4.511 4.320 -0.002 0.000 0.192 1034 A C 0.577 178.133 177.584 -0.046 0.000 1.076 1034 A CA -0.519 51.497 52.037 -0.036 0.000 1.235 1034 A CB 0.010 18.975 19.000 -0.058 0.000 1.249 1034 A HN 0.759 nan 8.150 nan 0.000 0.622 1035 M N 0.592 120.172 119.600 -0.033 0.000 2.476 1035 M HA 0.060 4.539 4.480 -0.002 0.000 0.262 1035 M C 0.814 177.096 176.300 -0.029 0.000 1.111 1035 M CA 1.596 56.877 55.300 -0.033 0.000 1.127 1035 M CB 0.387 32.973 32.600 -0.024 0.000 1.376 1035 M HN 0.664 nan 8.290 nan 0.000 0.465 1036 T N -4.550 109.991 114.554 -0.022 0.000 2.883 1036 T HA 0.289 4.638 4.350 -0.002 0.000 0.296 1036 T C 0.070 174.764 174.700 -0.010 0.000 1.117 1036 T CA -0.966 61.124 62.100 -0.016 0.000 1.006 1036 T CB 1.461 70.323 68.868 -0.010 0.000 1.191 1036 T HN -0.168 nan 8.240 nan 0.000 0.508 1037 D N 0.430 120.827 120.400 -0.005 0.000 2.221 1037 D HA -0.068 4.571 4.640 -0.002 0.000 0.204 1037 D C 1.272 177.581 176.300 0.014 0.000 0.982 1037 D CA 1.155 55.159 54.000 0.006 0.000 0.857 1037 D CB -0.121 40.683 40.800 0.006 0.000 0.934 1037 D HN 0.572 nan 8.370 nan 0.000 0.475 1038 D N 0.403 120.808 120.400 0.009 0.000 2.084 1038 D HA -0.109 4.530 4.640 -0.002 0.000 0.196 1038 D C 1.574 177.883 176.300 0.015 0.000 0.985 1038 D CA 0.798 54.805 54.000 0.011 0.000 0.826 1038 D CB -0.208 40.595 40.800 0.006 0.000 0.978 1038 D HN 0.153 nan 8.370 nan 0.000 0.456 1039 D N -0.015 120.391 120.400 0.009 0.000 2.172 1039 D HA -0.160 4.479 4.640 -0.002 0.000 0.196 1039 D C 2.028 178.341 176.300 0.022 0.000 0.999 1039 D CA 0.566 54.572 54.000 0.010 0.000 0.856 1039 D CB -0.059 40.741 40.800 -0.000 0.000 0.934 1039 D HN 0.120 nan 8.370 nan 0.000 0.453 1040 L N 1.076 122.316 121.223 0.029 0.000 1.937 1040 L HA -0.127 4.211 4.340 -0.002 0.000 0.213 1040 L C 2.587 179.497 176.870 0.068 0.000 1.077 1040 L CA 1.520 56.395 54.840 0.058 0.000 0.758 1040 L CB -0.853 41.248 42.059 0.071 0.000 0.888 1040 L HN -0.113 nan 8.230 nan 0.000 0.433 1041 R N -0.627 119.910 120.500 0.061 0.000 2.159 1041 R HA -0.281 4.058 4.340 -0.002 0.000 0.252 1041 R C 2.101 178.428 176.300 0.045 0.000 1.144 1041 R CA 1.768 57.901 56.100 0.054 0.000 0.961 1041 R CB -0.955 29.366 30.300 0.035 0.000 0.877 1041 R HN 0.499 nan 8.270 nan 0.000 0.444 1042 A N 0.682 123.523 122.820 0.035 0.000 2.032 1042 A HA -0.126 4.192 4.320 -0.002 0.000 0.221 1042 A C 2.147 179.750 177.584 0.033 0.000 1.165 1042 A CA 1.797 53.852 52.037 0.029 0.000 0.645 1042 A CB -0.489 18.524 19.000 0.021 0.000 0.807 1042 A HN 0.462 nan 8.150 nan 0.000 0.453 1043 A N -2.549 120.296 122.820 0.043 0.000 2.275 1043 A HA 0.445 4.764 4.320 -0.002 0.000 0.212 1043 A C 1.773 179.394 177.584 0.061 0.000 1.201 1043 A CA 1.087 53.154 52.037 0.049 0.000 0.843 1043 A CB -0.550 18.483 19.000 0.054 0.000 0.873 1043 A HN 1.820 nan 8.150 nan 0.000 0.492 1044 G N -1.608 107.232 108.800 0.066 0.000 2.194 1044 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.236 1044 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.236 1044 G C 0.278 175.250 174.900 0.121 0.000 0.987 1044 G CA 0.081 45.226 45.100 0.076 0.000 0.635 1044 G HN 0.814 nan 8.290 nan 0.000 0.520 1045 V N 2.002 122.002 119.914 0.142 0.000 2.153 1045 V HA 0.414 4.532 4.120 -0.002 0.000 0.250 1045 V C 0.050 176.280 176.094 0.226 0.000 1.334 1045 V CA 0.276 62.716 62.300 0.234 0.000 1.249 1045 V CB 0.868 32.832 31.823 0.234 0.000 1.371 1045 V HN 0.351 nan 8.190 nan 0.000 0.498 1046 D N 3.116 123.607 120.400 0.153 0.000 2.477 1046 D HA 0.266 4.905 4.640 -0.002 0.000 0.239 1046 D C 1.456 177.683 176.300 -0.122 0.000 1.102 1046 D CA -0.802 53.221 54.000 0.039 0.000 0.901 1046 D CB 1.081 41.891 40.800 0.016 0.000 1.026 1046 D HN 0.424 nan 8.370 nan 0.000 0.515 1047 R N 2.277 122.698 120.500 -0.133 0.000 2.261 1047 R HA -0.104 4.235 4.340 -0.002 0.000 0.236 1047 R C 1.516 177.677 176.300 -0.232 0.000 1.141 1047 R CA 1.107 57.007 56.100 -0.334 0.000 1.001 1047 R CB -0.532 29.708 30.300 -0.099 0.000 0.866 1047 R HN 0.232 nan 8.270 nan 0.000 0.468 1048 R N 0.619 121.044 120.500 -0.126 0.000 2.148 1048 R HA -0.001 4.338 4.340 -0.002 0.000 0.227 1048 R C 1.893 178.148 176.300 -0.075 0.000 1.103 1048 R CA 1.243 57.296 56.100 -0.078 0.000 0.983 1048 R CB -0.215 30.059 30.300 -0.043 0.000 0.874 1048 R HN 0.144 nan 8.270 nan 0.000 0.451 1049 V N 1.665 121.520 119.914 -0.099 0.000 2.239 1049 V HA -0.133 3.986 4.120 -0.002 0.000 0.242 1049 V C -0.896 175.165 176.094 -0.054 0.000 1.038 1049 V CA 1.502 63.762 62.300 -0.066 0.000 1.002 1049 V CB -1.397 30.392 31.823 -0.056 0.000 0.641 1049 V HN 0.210 nan 8.190 nan 0.000 0.449 1050 P HA -0.199 nan 4.420 nan 0.000 0.216 1050 P C 1.328 178.676 177.300 0.081 0.000 1.150 1050 P CA 1.689 64.804 63.100 0.025 0.000 0.843 1050 P CB -0.069 31.686 31.700 0.092 0.000 0.787 1051 E N -0.341 119.888 120.200 0.048 0.000 2.285 1051 E HA -0.136 4.212 4.350 -0.002 0.000 0.194 1051 E C 2.298 178.913 176.600 0.025 0.000 0.997 1051 E CA 0.289 56.726 56.400 0.061 0.000 0.845 1051 E CB -0.343 29.364 29.700 0.011 0.000 0.782 1051 E HN 0.300 nan 8.360 nan 0.000 0.491 1052 Q N 1.569 121.370 119.800 0.002 0.000 2.049 1052 Q HA -0.147 4.192 4.340 -0.002 0.000 0.198 1052 Q C 1.796 177.795 176.000 -0.001 0.000 0.971 1052 Q CA 1.034 56.835 55.803 -0.003 0.000 0.833 1052 Q CB 0.215 28.947 28.738 -0.011 0.000 0.896 1052 Q HN 0.029 nan 8.270 nan 0.000 0.434 1053 K N 0.949 121.349 120.400 0.001 0.000 2.009 1053 K HA -0.117 4.202 4.320 -0.002 0.000 0.210 1053 K C 2.396 178.992 176.600 -0.007 0.000 1.049 1053 K CA 0.923 57.207 56.287 -0.005 0.000 0.929 1053 K CB -0.924 31.579 32.500 0.005 0.000 0.714 1053 K HN 0.265 nan 8.250 nan 0.000 0.440 1054 L N 0.436 121.671 121.223 0.020 0.000 2.051 1054 L HA -0.201 4.138 4.340 -0.002 0.000 0.214 1054 L C 2.527 179.409 176.870 0.020 0.000 1.076 1054 L CA 1.695 56.552 54.840 0.028 0.000 0.758 1054 L CB -0.990 41.102 42.059 0.055 0.000 0.890 1054 L HN 0.357 nan 8.230 nan 0.000 0.433 1055 G N -0.972 107.838 108.800 0.018 0.000 2.422 1055 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.218 1055 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.218 1055 G C 1.742 176.639 174.900 -0.006 0.000 1.146 1055 G CA 0.783 45.891 45.100 0.014 0.000 0.769 1055 G HN 0.491 nan 8.290 nan 0.000 0.547 1056 A N 1.552 124.354 122.820 -0.029 0.000 1.841 1056 A HA 0.140 4.459 4.320 -0.002 0.000 0.216 1056 A C 2.891 180.399 177.584 -0.126 0.000 1.199 1056 A CA 2.770 54.770 52.037 -0.062 0.000 0.621 1056 A CB -1.217 17.745 19.000 -0.062 0.000 0.835 1056 A HN 0.957 nan 8.150 nan 0.000 0.445 1057 A N -0.050 122.644 122.820 -0.211 0.000 1.881 1057 A HA -0.245 4.074 4.320 -0.002 0.000 0.219 1057 A C 2.141 179.587 177.584 -0.228 0.000 1.215 1057 A CA 2.024 53.768 52.037 -0.490 0.000 0.648 1057 A CB -0.944 17.785 19.000 -0.451 0.000 0.832 1057 A HN 0.559 nan 8.150 nan 0.000 0.455 1058 I N -0.034 120.580 120.570 0.073 0.000 2.248 1058 I HA -0.310 3.858 4.170 -0.002 0.000 0.248 1058 I C 1.962 178.169 176.117 0.150 0.000 1.107 1058 I CA 1.733 63.175 61.300 0.237 0.000 1.373 1058 I CB -0.539 37.555 38.000 0.156 0.000 1.055 1058 I HN 0.369 nan 8.210 nan 0.000 0.418 1059 D N 0.302 120.729 120.400 0.044 0.000 2.117 1059 D HA -0.209 4.430 4.640 -0.002 0.000 0.197 1059 D C 2.035 178.337 176.300 0.003 0.000 0.987 1059 D CA 1.253 55.267 54.000 0.023 0.000 0.829 1059 D CB -0.154 40.642 40.800 -0.007 0.000 0.961 1059 D HN 0.303 nan 8.370 nan 0.000 0.460 1060 E N 0.650 120.806 120.200 -0.073 0.000 2.017 1060 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 1060 E C 1.918 178.525 176.600 0.012 0.000 0.997 1060 E CA 0.647 56.998 56.400 -0.080 0.000 0.804 1060 E CB -0.736 28.828 29.700 -0.228 0.000 0.757 1060 E HN 0.222 nan 8.360 nan 0.000 0.448 1061 F N 0.496 120.372 119.950 -0.124 0.000 2.192 1061 F HA -0.219 4.307 4.527 -0.002 0.000 0.301 1061 F C 1.947 177.744 175.800 -0.005 0.000 1.079 1061 F CA 1.661 59.630 58.000 -0.052 0.000 1.303 1061 F CB -0.221 38.636 39.000 -0.238 0.000 1.024 1061 F HN 0.132 nan 8.300 nan 0.000 0.494 1062 A N -0.984 121.943 122.820 0.178 0.000 2.119 1062 A HA -0.048 4.271 4.320 -0.002 0.000 0.216 1062 A C 2.175 179.756 177.584 -0.004 0.000 1.152 1062 A CA 1.173 53.267 52.037 0.095 0.000 0.708 1062 A CB -0.950 18.124 19.000 0.122 0.000 0.805 1062 A HN 0.451 nan 8.150 nan 0.000 0.460 1063 S N -0.419 115.269 115.700 -0.020 0.000 2.478 1063 S HA 0.211 4.680 4.470 -0.002 0.000 0.222 1063 S C 0.687 175.255 174.600 -0.054 0.000 1.008 1063 S CA -0.356 57.828 58.200 -0.028 0.000 0.928 1063 S CB -0.673 62.517 63.200 -0.017 0.000 0.781 1063 S HN 0.377 nan 8.310 nan 0.000 0.518 1064 L N 3.298 124.461 121.223 -0.099 0.000 2.615 1064 L HA 0.059 4.398 4.340 -0.002 0.000 0.284 1064 L C 0.643 177.453 176.870 -0.101 0.000 1.237 1064 L CA 0.525 55.286 54.840 -0.132 0.000 0.905 1064 L CB -0.096 41.795 42.059 -0.281 0.000 1.149 1064 L HN 0.550 nan 8.230 nan 0.000 0.499 1065 R N 3.403 123.867 120.500 -0.060 0.000 2.668 1065 R HA 0.632 4.971 4.340 -0.002 0.000 0.272 1065 R C -1.395 174.907 176.300 0.003 0.000 1.019 1065 R CA -1.105 54.975 56.100 -0.033 0.000 0.894 1065 R CB 1.304 31.587 30.300 -0.027 0.000 1.228 1065 R HN 0.368 nan 8.270 nan 0.000 0.460 1066 L N 1.942 123.188 121.223 0.038 0.000 2.453 1066 L HA 0.386 4.725 4.340 -0.002 0.000 0.261 1066 L C -1.892 175.044 176.870 0.109 0.000 1.179 1066 L CA -2.120 52.789 54.840 0.116 0.000 0.813 1066 L CB 0.504 42.661 42.059 0.164 0.000 1.110 1066 L HN 0.389 nan 8.230 nan 0.000 0.466 1067 P HA 0.077 nan 4.420 nan 0.000 0.270 1067 P C -1.271 176.077 177.300 0.081 0.000 1.227 1067 P CA -0.015 63.050 63.100 -0.058 0.000 0.788 1067 P CB 0.589 32.224 31.700 -0.107 0.000 0.926 1068 D N -0.638 119.690 120.400 -0.120 0.000 2.579 1068 D HA 0.505 5.144 4.640 -0.002 0.000 0.257 1068 D C -1.344 174.933 176.300 -0.039 0.000 1.176 1068 D CA -0.777 53.265 54.000 0.071 0.000 0.914 1068 D CB 1.482 42.328 40.800 0.076 0.000 1.431 1068 D HN 0.105 nan 8.370 nan 0.000 0.454 1069 R N 1.457 122.010 120.500 0.087 0.000 2.439 1069 R HA 0.721 5.059 4.340 -0.002 0.000 0.310 1069 R C -1.442 174.903 176.300 0.076 0.000 0.955 1069 R CA -0.424 55.728 56.100 0.087 0.000 0.853 1069 R CB 0.592 30.964 30.300 0.120 0.000 1.171 1069 R HN 0.423 nan 8.270 nan 0.000 0.449 1070 I N 3.849 124.450 120.570 0.052 0.000 2.498 1070 I HA 0.276 4.445 4.170 -0.002 0.000 0.290 1070 I C -0.359 175.782 176.117 0.041 0.000 1.032 1070 I CA -0.718 60.607 61.300 0.042 0.000 1.073 1070 I CB 2.222 40.236 38.000 0.024 0.000 1.251 1070 I HN 0.788 nan 8.210 nan 0.000 0.426 1071 D N 4.783 125.206 120.400 0.038 0.000 2.955 1071 D HA -0.224 4.415 4.640 -0.002 0.000 0.226 1071 D C 1.098 177.420 176.300 0.036 0.000 1.178 1071 D CA 1.728 55.748 54.000 0.033 0.000 0.808 1071 D CB -1.037 39.779 40.800 0.026 0.000 1.099 1071 D HN 1.193 nan 8.370 nan 0.000 0.421 1072 G N -0.767 108.060 108.800 0.046 0.000 2.176 1072 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.232 1072 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.232 1072 G C 0.374 175.310 174.900 0.060 0.000 0.986 1072 G CA 0.353 45.481 45.100 0.047 0.000 0.643 1072 G HN 0.542 nan 8.290 nan 0.000 0.522 1073 R N -0.957 119.584 120.500 0.069 0.000 2.700 1073 R HA 0.761 5.100 4.340 -0.002 0.000 0.253 1073 R C -0.920 175.470 176.300 0.151 0.000 1.091 1073 R CA -0.818 55.337 56.100 0.093 0.000 1.104 1073 R CB 0.988 31.327 30.300 0.065 0.000 1.202 1073 R HN 0.227 nan 8.270 nan 0.000 0.532 1074 F N 0.861 120.809 119.950 -0.004 0.000 2.477 1074 F HA 0.375 4.901 4.527 -0.002 0.000 0.335 1074 F C -1.120 174.681 175.800 0.002 0.000 1.130 1074 F CA -0.795 57.199 58.000 -0.010 0.000 0.948 1074 F CB 1.381 40.364 39.000 -0.028 0.000 1.154 1074 F HN 0.043 nan 8.300 nan 0.000 0.439 1075 V N 5.722 125.298 119.914 -0.563 0.000 2.347 1075 V HA 0.254 4.373 4.120 -0.002 0.000 0.280 1075 V C -0.322 175.393 176.094 -0.633 0.000 1.021 1075 V CA -0.918 61.127 62.300 -0.426 0.000 0.847 1075 V CB 1.033 32.735 31.823 -0.201 0.000 0.990 1075 V HN 0.632 nan 8.190 nan 0.000 0.444 1076 D N 3.045 123.198 120.400 -0.411 0.000 2.364 1076 D HA 0.295 4.934 4.640 -0.002 0.000 0.236 1076 D C 0.620 176.817 176.300 -0.172 0.000 1.221 1076 D CA 0.675 54.518 54.000 -0.263 0.000 0.891 1076 D CB 0.869 41.634 40.800 -0.058 0.000 1.190 1076 D HN 0.699 nan 8.370 nan 0.000 0.449 1077 G N -0.629 108.119 108.800 -0.087 0.000 2.552 1077 G HA2 0.448 4.407 3.960 -0.002 0.000 0.318 1077 G HA3 0.448 4.407 3.960 -0.002 0.000 0.318 1077 G C -0.595 174.292 174.900 -0.022 0.000 1.240 1077 G CA -0.739 44.337 45.100 -0.040 0.000 1.002 1077 G HN 0.373 nan 8.290 nan 0.000 0.493 1078 R N 0.207 120.695 120.500 -0.019 0.000 2.229 1078 R HA 0.335 4.674 4.340 -0.002 0.000 0.328 1078 R C -0.022 176.272 176.300 -0.010 0.000 1.009 1078 R CA -0.490 55.601 56.100 -0.015 0.000 0.864 1078 R CB 0.487 30.775 30.300 -0.021 0.000 1.085 1078 R HN 0.419 nan 8.270 nan 0.000 0.453 1079 R N 2.754 123.255 120.500 0.001 0.000 2.340 1079 R HA 0.203 4.542 4.340 -0.002 0.000 0.300 1079 R C -0.145 176.160 176.300 0.009 0.000 1.069 1079 R CA -0.233 55.871 56.100 0.006 0.000 0.984 1079 R CB 1.333 31.641 30.300 0.014 0.000 1.003 1079 R HN 0.699 nan 8.270 nan 0.000 0.459 1080 A N 3.746 126.571 122.820 0.007 0.000 2.566 1080 A HA -0.072 4.247 4.320 -0.002 0.000 0.245 1080 A C -0.020 177.610 177.584 0.077 0.000 1.056 1080 A CA 0.008 52.072 52.037 0.044 0.000 0.757 1080 A CB -0.054 18.962 19.000 0.025 0.000 0.979 1080 A HN 0.673 nan 8.150 nan 0.000 0.508 1081 N N 3.143 121.903 118.700 0.101 0.000 2.466 1081 N HA 0.107 4.846 4.740 -0.002 0.000 0.263 1081 N C 0.939 176.566 175.510 0.195 0.000 1.178 1081 N CA 0.100 53.210 53.050 0.100 0.000 0.983 1081 N CB 0.655 39.176 38.487 0.056 0.000 1.331 1081 N HN 0.675 nan 8.380 nan 0.000 0.500 1082 L N 0.557 121.882 121.223 0.170 0.000 2.353 1082 L HA -0.160 4.179 4.340 -0.002 0.000 0.220 1082 L C 2.482 179.490 176.870 0.231 0.000 1.133 1082 L CA 0.881 55.848 54.840 0.212 0.000 0.798 1082 L CB -0.333 41.762 42.059 0.059 0.000 0.922 1082 L HN 0.459 nan 8.230 nan 0.000 0.445 1083 T N -0.756 113.886 114.554 0.146 0.000 2.674 1083 T HA -0.167 4.182 4.350 -0.002 0.000 0.265 1083 T C 1.944 176.707 174.700 0.104 0.000 1.039 1083 T CA 1.655 63.818 62.100 0.104 0.000 1.150 1083 T CB -0.142 68.763 68.868 0.060 0.000 0.864 1083 T HN 0.078 nan 8.240 nan 0.000 0.427 1084 V N 0.860 120.811 119.914 0.062 0.000 2.313 1084 V HA -0.186 3.933 4.120 -0.002 0.000 0.253 1084 V C 2.349 178.398 176.094 -0.074 0.000 1.070 1084 V CA 2.367 64.639 62.300 -0.046 0.000 1.057 1084 V CB -0.981 30.748 31.823 -0.157 0.000 0.653 1084 V HN 0.524 nan 8.190 nan 0.000 0.450 1085 F N 0.315 120.281 119.950 0.027 0.000 2.102 1085 F HA -0.173 4.353 4.527 -0.002 0.000 0.298 1085 F C 2.435 178.259 175.800 0.039 0.000 1.105 1085 F CA 1.904 59.929 58.000 0.041 0.000 1.239 1085 F CB -0.710 38.305 39.000 0.025 0.000 0.991 1085 F HN 0.212 nan 8.300 nan 0.000 0.474 1086 D N 0.306 120.836 120.400 0.217 0.000 2.133 1086 D HA -0.202 4.437 4.640 -0.002 0.000 0.195 1086 D C 1.483 177.833 176.300 0.084 0.000 0.997 1086 D CA 1.885 55.961 54.000 0.127 0.000 0.840 1086 D CB -0.477 40.380 40.800 0.094 0.000 0.947 1086 D HN 0.337 nan 8.370 nan 0.000 0.452 1087 D N 0.029 120.466 120.400 0.063 0.000 2.317 1087 D HA 0.021 4.660 4.640 -0.002 0.000 0.211 1087 D C 1.889 178.210 176.300 0.035 0.000 0.966 1087 D CA 0.575 54.598 54.000 0.038 0.000 0.876 1087 D CB -0.027 40.786 40.800 0.021 0.000 0.927 1087 D HN 0.140 nan 8.370 nan 0.000 0.519 1088 A N 0.768 123.614 122.820 0.042 0.000 1.874 1088 A HA -0.104 4.214 4.320 -0.002 0.000 0.214 1088 A C 2.064 179.674 177.584 0.043 0.000 1.189 1088 A CA 0.857 52.917 52.037 0.038 0.000 0.615 1088 A CB -0.206 18.818 19.000 0.041 0.000 0.830 1088 A HN 0.117 nan 8.150 nan 0.000 0.443 1089 R N -0.869 119.668 120.500 0.062 0.000 2.073 1089 R HA 0.018 4.357 4.340 -0.002 0.000 0.229 1089 R C 1.898 178.219 176.300 0.036 0.000 1.120 1089 R CA 1.157 57.284 56.100 0.045 0.000 0.967 1089 R CB -0.856 29.483 30.300 0.064 0.000 0.862 1089 R HN 0.281 nan 8.270 nan 0.000 0.436 1090 V N 1.294 121.234 119.914 0.042 0.000 2.626 1090 V HA -0.144 3.975 4.120 -0.002 0.000 0.252 1090 V C 2.199 178.319 176.094 0.043 0.000 1.067 1090 V CA 1.735 64.058 62.300 0.038 0.000 1.081 1090 V CB -0.291 31.554 31.823 0.036 0.000 0.686 1090 V HN 0.432 nan 8.190 nan 0.000 0.468 1091 A N -0.392 122.455 122.820 0.044 0.000 1.858 1091 A HA -0.172 4.147 4.320 -0.002 0.000 0.216 1091 A C 2.315 179.948 177.584 0.082 0.000 1.190 1091 A CA 2.196 54.264 52.037 0.052 0.000 0.617 1091 A CB -0.884 18.137 19.000 0.036 0.000 0.827 1091 A HN 0.397 nan 8.150 nan 0.000 0.443 1092 V N -0.129 119.824 119.914 0.067 0.000 2.453 1092 V HA -0.260 3.859 4.120 -0.002 0.000 0.252 1092 V C 2.618 178.765 176.094 0.088 0.000 1.068 1092 V CA 2.322 64.671 62.300 0.082 0.000 1.070 1092 V CB -0.804 30.985 31.823 -0.056 0.000 0.664 1092 V HN 0.576 nan 8.190 nan 0.000 0.461 1093 R N -0.397 120.137 120.500 0.056 0.000 2.161 1093 R HA -0.016 4.323 4.340 -0.002 0.000 0.213 1093 R C 2.312 178.644 176.300 0.052 0.000 1.055 1093 R CA 0.998 57.124 56.100 0.043 0.000 0.996 1093 R CB -0.362 29.955 30.300 0.028 0.000 0.901 1093 R HN 0.569 nan 8.270 nan 0.000 0.456 1094 G N -0.474 108.369 108.800 0.071 0.000 2.464 1094 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.214 1094 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.214 1094 G C 1.227 176.187 174.900 0.100 0.000 1.218 1094 G CA 0.783 45.927 45.100 0.073 0.000 0.794 1094 G HN 0.397 nan 8.290 nan 0.000 0.542 1095 H N 0.905 119.982 119.070 0.012 0.000 2.325 1095 H HA -0.205 4.350 4.556 -0.002 0.000 0.293 1095 H C 2.806 178.100 175.328 -0.056 0.000 1.106 1095 H CA 1.417 57.459 56.048 -0.009 0.000 1.247 1095 H CB -0.007 29.771 29.762 0.027 0.000 1.359 1095 H HN 0.333 nan 8.280 nan 0.000 0.488 1096 A N 0.702 123.507 122.820 -0.026 0.000 2.019 1096 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 1096 A C 2.448 179.959 177.584 -0.122 0.000 1.164 1096 A CA 1.407 53.367 52.037 -0.128 0.000 0.644 1096 A CB -0.513 18.473 19.000 -0.024 0.000 0.805 1096 A HN 0.409 nan 8.150 nan 0.000 0.449 1097 R N -0.688 119.778 120.500 -0.056 0.000 2.073 1097 R HA 0.002 4.341 4.340 -0.002 0.000 0.229 1097 R C 2.411 178.682 176.300 -0.049 0.000 1.120 1097 R CA 1.191 57.269 56.100 -0.037 0.000 0.967 1097 R CB -0.331 29.967 30.300 -0.004 0.000 0.862 1097 R HN 0.464 nan 8.270 nan 0.000 0.436 1098 A N 0.671 123.458 122.820 -0.055 0.000 1.877 1098 A HA -0.222 4.097 4.320 -0.002 0.000 0.216 1098 A C 2.016 179.549 177.584 -0.085 0.000 1.186 1098 A CA 1.415 53.430 52.037 -0.036 0.000 0.620 1098 A CB -0.552 18.459 19.000 0.017 0.000 0.822 1098 A HN 0.418 nan 8.150 nan 0.000 0.443 1099 Q N -1.218 118.392 119.800 -0.316 0.000 2.135 1099 Q HA -0.214 4.125 4.340 -0.002 0.000 0.204 1099 Q C 2.297 178.208 176.000 -0.148 0.000 0.981 1099 Q CA 1.816 57.312 55.803 -0.510 0.000 0.856 1099 Q CB -0.166 27.763 28.738 -1.349 0.000 0.902 1099 Q HN 0.683 nan 8.270 nan 0.000 0.425 1100 R N 0.481 120.905 120.500 -0.126 0.000 2.153 1100 R HA -0.024 4.314 4.340 -0.002 0.000 0.218 1100 R C 1.197 177.512 176.300 0.025 0.000 1.072 1100 R CA 1.178 57.264 56.100 -0.024 0.000 0.990 1100 R CB 0.166 30.446 30.300 -0.033 0.000 0.889 1100 R HN 0.282 nan 8.270 nan 0.000 0.452 1101 N N -0.360 118.351 118.700 0.019 0.000 2.376 1101 N HA -0.078 4.661 4.740 -0.002 0.000 0.177 1101 N C 1.229 176.773 175.510 0.057 0.000 1.024 1101 N CA 0.246 53.316 53.050 0.034 0.000 0.893 1101 N CB 0.111 38.613 38.487 0.024 0.000 0.980 1101 N HN 0.067 nan 8.380 nan 0.000 0.439 1102 L N 1.026 122.306 121.223 0.095 0.000 2.072 1102 L HA 0.053 4.392 4.340 -0.002 0.000 0.205 1102 L C 1.770 178.700 176.870 0.100 0.000 1.079 1102 L CA 1.238 56.145 54.840 0.112 0.000 0.752 1102 L CB -0.420 41.749 42.059 0.184 0.000 0.906 1102 L HN 0.221 nan 8.230 nan 0.000 0.436 1103 L N -0.856 120.459 121.223 0.153 0.000 2.046 1103 L HA -0.246 4.093 4.340 -0.002 0.000 0.208 1103 L C 2.486 179.393 176.870 0.062 0.000 1.077 1103 L CA 1.451 56.359 54.840 0.113 0.000 0.747 1103 L CB -0.238 41.923 42.059 0.170 0.000 0.896 1103 L HN 0.395 nan 8.230 nan 0.000 0.432 1104 E N -0.517 119.718 120.200 0.057 0.000 2.051 1104 E HA -0.261 4.088 4.350 -0.002 0.000 0.192 1104 E C 2.276 178.893 176.600 0.028 0.000 0.991 1104 E CA 1.147 57.569 56.400 0.037 0.000 0.799 1104 E CB 0.032 29.751 29.700 0.032 0.000 0.748 1104 E HN 0.325 nan 8.360 nan 0.000 0.449 1105 R N 0.474 120.991 120.500 0.029 0.000 2.080 1105 R HA -0.123 4.216 4.340 -0.002 0.000 0.236 1105 R C 2.446 178.753 176.300 0.013 0.000 1.137 1105 R CA 1.163 57.275 56.100 0.020 0.000 0.943 1105 R CB -0.326 29.987 30.300 0.022 0.000 0.846 1105 R HN 0.150 nan 8.270 nan 0.000 0.431 1106 L N 0.202 121.432 121.223 0.011 0.000 2.043 1106 L HA -0.248 4.091 4.340 -0.002 0.000 0.212 1106 L C 2.545 179.416 176.870 0.001 0.000 1.075 1106 L CA 1.732 56.571 54.840 -0.002 0.000 0.752 1106 L CB -0.622 41.428 42.059 -0.016 0.000 0.891 1106 L HN 0.390 nan 8.230 nan 0.000 0.432 1107 E N -0.142 120.064 120.200 0.009 0.000 2.152 1107 E HA -0.166 4.183 4.350 -0.002 0.000 0.192 1107 E C 1.955 178.560 176.600 0.008 0.000 0.983 1107 E CA 1.603 58.008 56.400 0.010 0.000 0.818 1107 E CB 0.143 29.854 29.700 0.018 0.000 0.758 1107 E HN 0.472 nan 8.360 nan 0.000 0.467 1108 T N 0.573 115.132 114.554 0.010 0.000 2.737 1108 T HA -0.157 4.192 4.350 -0.002 0.000 0.265 1108 T C 1.679 176.382 174.700 0.005 0.000 1.038 1108 T CA 1.286 63.391 62.100 0.008 0.000 1.144 1108 T CB -0.252 68.621 68.868 0.009 0.000 0.866 1108 T HN 0.244 nan 8.240 nan 0.000 0.434 1109 E N 0.424 120.626 120.200 0.003 0.000 2.038 1109 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 1109 E C 2.160 178.759 176.600 -0.001 0.000 1.000 1109 E CA 1.026 57.426 56.400 0.000 0.000 0.803 1109 E CB -0.220 29.479 29.700 -0.002 0.000 0.750 1109 E HN 0.275 nan 8.360 nan 0.000 0.448 1110 L N 0.800 122.022 121.223 -0.002 0.000 2.046 1110 L HA -0.080 4.259 4.340 -0.002 0.000 0.208 1110 L C 0.692 177.561 176.870 -0.001 0.000 1.077 1110 L CA 1.254 56.092 54.840 -0.003 0.000 0.747 1110 L CB -0.066 41.990 42.059 -0.005 0.000 0.896 1110 L HN 0.030 nan 8.230 nan 0.000 0.432 1111 L N 0.742 121.966 121.223 0.001 0.000 2.342 1111 L HA 0.419 4.757 4.340 -0.002 0.000 0.285 1111 L C 0.900 177.771 176.870 0.002 0.000 1.095 1111 L CA 0.202 55.044 54.840 0.002 0.000 0.843 1111 L CB -0.259 41.802 42.059 0.004 0.000 1.201 1111 L HN 0.524 nan 8.230 nan 0.000 0.445 1112 G N 2.432 111.233 108.800 0.001 0.000 2.662 1112 G HA2 0.081 4.040 3.960 -0.002 0.000 0.236 1112 G HA3 0.081 4.040 3.960 -0.002 0.000 0.236 1112 G C 0.522 175.422 174.900 0.000 0.000 1.212 1112 G CA -0.361 44.740 45.100 0.001 0.000 0.968 1112 G HN 1.216 nan 8.290 nan 0.000 0.576 1113 G N -2.333 106.467 108.800 0.001 0.000 4.391 1113 G HA2 0.257 4.216 3.960 -0.002 0.000 0.210 1113 G HA3 0.257 4.216 3.960 -0.002 0.000 0.210 1113 G C 1.085 175.985 174.900 -0.000 0.000 1.547 1113 G CA 1.546 46.646 45.100 -0.000 0.000 1.103 1113 G HN 2.887 nan 8.290 nan 0.000 0.637 1114 T N 0.011 114.565 114.554 -0.000 0.000 2.791 1114 T HA 0.744 5.093 4.350 -0.002 0.000 0.288 1114 T C -0.292 174.408 174.700 -0.000 0.000 0.999 1114 T CA -0.500 61.600 62.100 -0.000 0.000 0.952 1114 T CB 2.399 71.267 68.868 -0.001 0.000 0.938 1114 T HN 0.858 nan 8.240 nan 0.000 0.444 1115 L N 2.618 123.841 121.223 0.000 0.000 2.448 1115 L HA 0.606 4.944 4.340 -0.002 0.000 0.258 1115 L C 0.338 177.208 176.870 0.000 0.000 1.104 1115 L CA 0.180 55.020 54.840 0.000 0.000 0.800 1115 L CB 0.972 43.031 42.059 0.001 0.000 1.241 1115 L HN 0.891 nan 8.230 nan 0.000 0.472 1116 D N -1.386 119.014 120.400 0.000 0.000 3.000 1116 D HA 0.130 4.769 4.640 -0.002 0.000 0.190 1116 D C 0.436 176.737 176.300 0.000 0.000 1.503 1116 D CA 0.901 54.901 54.000 0.000 0.000 1.496 1116 D CB 0.879 41.679 40.800 0.000 0.000 1.163 1116 D HN 0.567 nan 8.370 nan 0.000 0.231 1117 T N -1.018 113.536 114.554 0.001 0.000 3.517 1117 T HA 0.405 4.754 4.350 -0.002 0.000 0.190 1117 T C -0.907 173.793 174.700 0.001 0.000 0.906 1117 T CA 0.726 62.826 62.100 0.001 0.000 1.009 1117 T CB -0.154 68.714 68.868 0.001 0.000 1.158 1117 T HN 0.236 nan 8.240 nan 0.000 0.312 1118 A N 0.813 123.633 122.820 0.001 0.000 2.802 1118 A HA 0.757 5.076 4.320 -0.002 0.000 0.344 1118 A C 0.202 177.787 177.584 0.001 0.000 1.215 1118 A CA -0.044 51.993 52.037 0.001 0.000 0.821 1118 A CB -0.048 18.953 19.000 0.001 0.000 1.099 1118 A HN 1.079 nan 8.150 nan 0.000 0.479 1119 G N 0.661 109.461 108.800 0.001 0.000 2.460 1119 G HA2 0.388 4.347 3.960 -0.002 0.000 0.299 1119 G HA3 0.388 4.347 3.960 -0.002 0.000 0.299 1119 G C -0.566 174.335 174.900 0.002 0.000 1.592 1119 G CA -0.321 44.780 45.100 0.001 0.000 1.008 1119 G HN 0.245 nan 8.290 nan 0.000 0.513 1120 D N 0.923 121.324 120.400 0.002 0.000 2.349 1120 D HA 0.047 4.686 4.640 -0.002 0.000 0.224 1120 D C 0.679 176.981 176.300 0.003 0.000 1.029 1120 D CA 0.303 54.305 54.000 0.002 0.000 0.879 1120 D CB 0.372 41.173 40.800 0.003 0.000 0.906 1120 D HN 0.546 nan 8.370 nan 0.000 0.528 1121 E N -0.261 119.940 120.200 0.002 0.000 0.768 1121 E HA -0.064 4.285 4.350 -0.002 0.000 0.365 1121 E C 0.277 176.879 176.600 0.003 0.000 1.016 1121 E CA 1.086 57.487 56.400 0.002 0.000 1.380 1121 E CB -0.490 29.212 29.700 0.002 0.000 0.297 1121 E HN 0.293 nan 8.360 nan 0.000 0.365 1122 G N 2.114 110.916 108.800 0.004 0.000 2.902 1122 G HA2 0.495 4.454 3.960 -0.002 0.000 0.293 1122 G HA3 0.495 4.454 3.960 -0.002 0.000 0.293 1122 G C 0.495 175.398 174.900 0.005 0.000 3.296 1122 G CA 0.213 45.316 45.100 0.004 0.000 0.614 1122 G HN 1.153 nan 8.290 nan 0.000 0.354 1123 G N 0.488 109.291 108.800 0.005 0.000 2.233 1123 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.270 1123 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.270 1123 G C 1.034 175.937 174.900 0.004 0.000 1.011 1123 G CA 1.340 46.443 45.100 0.005 0.000 0.762 1123 G HN 0.931 nan 8.290 nan 0.000 0.511 1124 I N -0.831 119.741 120.570 0.004 0.000 3.366 1124 I HA 0.141 4.310 4.170 -0.002 0.000 0.267 1124 I C 1.325 177.444 176.117 0.003 0.000 1.149 1124 I CA 0.701 62.003 61.300 0.003 0.000 1.436 1124 I CB 0.058 38.060 38.000 0.003 0.000 1.379 1124 I HN 0.274 nan 8.210 nan 0.000 0.460 1125 Q N 2.921 122.723 119.800 0.002 0.000 2.788 1125 Q HA 0.409 4.748 4.340 -0.002 0.000 0.285 1125 Q C -2.650 173.351 176.000 0.002 0.000 1.063 1125 Q CA -1.836 53.968 55.803 0.002 0.000 0.958 1125 Q CB 0.069 28.808 28.738 0.002 0.000 1.211 1125 Q HN 0.172 nan 8.270 nan 0.000 0.478 1126 P HA 0.211 nan 4.420 nan 0.000 0.272 1126 P C -0.187 177.114 177.300 0.001 0.000 1.248 1126 P CA 0.156 63.257 63.100 0.002 0.000 0.799 1126 P CB 0.906 32.607 31.700 0.002 0.000 0.997 1127 D N -4.010 116.391 120.400 0.001 0.000 1.599 1127 D HA -0.046 4.593 4.640 -0.002 0.000 0.261 1127 D C -1.874 174.426 176.300 -0.000 0.000 0.484 1127 D CA 0.215 54.215 54.000 0.000 0.000 1.053 1127 D CB -2.184 38.616 40.800 0.000 0.000 1.466 1127 D HN 0.414 nan 8.370 nan 0.000 0.808 1128 P HA 0.199 nan 4.420 nan 0.000 0.269 1128 P C 1.006 178.306 177.300 -0.001 0.000 1.217 1128 P CA -0.202 62.898 63.100 -0.001 0.000 0.783 1128 P CB 0.628 32.327 31.700 -0.000 0.000 0.898 1129 I N 0.434 121.003 120.570 -0.002 0.000 3.419 1129 I HA -0.095 4.074 4.170 -0.002 0.000 0.286 1129 I C 1.718 177.834 176.117 -0.002 0.000 1.268 1129 I CA 0.193 61.492 61.300 -0.002 0.000 1.414 1129 I CB 0.025 38.023 38.000 -0.004 0.000 1.074 1129 I HN 0.280 nan 8.210 nan 0.000 0.457 1130 L N 0.710 121.932 121.223 -0.002 0.000 2.042 1130 L HA -0.274 4.065 4.340 -0.002 0.000 0.210 1130 L C 2.597 179.467 176.870 0.000 0.000 1.076 1130 L CA 1.434 56.273 54.840 -0.002 0.000 0.749 1130 L CB -0.889 41.169 42.059 -0.001 0.000 0.893 1130 L HN 0.325 nan 8.230 nan 0.000 0.432 1131 Q N 0.833 120.634 119.800 0.001 0.000 2.082 1131 Q HA -0.219 4.120 4.340 -0.002 0.000 0.211 1131 Q C 2.094 178.096 176.000 0.004 0.000 1.002 1131 Q CA 2.479 58.284 55.803 0.003 0.000 0.868 1131 Q CB -1.007 27.733 28.738 0.003 0.000 0.931 1131 Q HN 0.428 nan 8.270 nan 0.000 0.414 1132 G N 0.318 109.119 108.800 0.002 0.000 2.442 1132 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.219 1132 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.219 1132 G C 1.427 176.328 174.900 0.002 0.000 1.141 1132 G CA 1.034 46.135 45.100 0.002 0.000 0.763 1132 G HN 0.397 nan 8.290 nan 0.000 0.554 1133 L N 0.205 121.428 121.223 -0.001 0.000 2.056 1133 L HA -0.074 4.265 4.340 -0.002 0.000 0.207 1133 L C 3.000 179.872 176.870 0.003 0.000 1.078 1133 L CA 0.437 55.276 54.840 -0.002 0.000 0.749 1133 L CB -0.696 41.359 42.059 -0.006 0.000 0.901 1133 L HN 0.080 nan 8.230 nan 0.000 0.433 1134 V N 0.312 120.230 119.914 0.006 0.000 2.278 1134 V HA -0.343 3.775 4.120 -0.002 0.000 0.251 1134 V C 2.159 178.263 176.094 0.016 0.000 1.062 1134 V CA 2.148 64.454 62.300 0.011 0.000 1.038 1134 V CB -0.603 31.226 31.823 0.010 0.000 0.646 1134 V HN 0.484 nan 8.190 nan 0.000 0.447 1135 D N -0.186 120.223 120.400 0.015 0.000 2.144 1135 D HA -0.107 4.532 4.640 -0.002 0.000 0.200 1135 D C 2.180 178.494 176.300 0.024 0.000 0.978 1135 D CA 1.183 55.195 54.000 0.020 0.000 0.833 1135 D CB -0.346 40.464 40.800 0.017 0.000 0.961 1135 D HN 0.370 nan 8.370 nan 0.000 0.470 1136 V N 1.826 121.750 119.914 0.016 0.000 2.332 1136 V HA -0.236 3.883 4.120 -0.002 0.000 0.248 1136 V C 2.581 178.692 176.094 0.028 0.000 1.055 1136 V CA 1.112 63.422 62.300 0.016 0.000 1.038 1136 V CB -0.402 31.422 31.823 0.002 0.000 0.651 1136 V HN 0.202 nan 8.190 nan 0.000 0.450 1137 I N 0.824 121.410 120.570 0.026 0.000 2.099 1137 I HA -0.223 3.946 4.170 -0.002 0.000 0.239 1137 I C 2.720 178.870 176.117 0.056 0.000 1.066 1137 I CA 2.030 63.353 61.300 0.038 0.000 1.324 1137 I CB -1.363 36.654 38.000 0.029 0.000 1.037 1137 I HN 0.431 nan 8.210 nan 0.000 0.401 1138 G N 0.118 108.947 108.800 0.048 0.000 2.469 1138 G HA2 -0.360 3.598 3.960 -0.002 0.000 0.219 1138 G HA3 -0.360 3.598 3.960 -0.002 0.000 0.219 1138 G C 1.570 176.513 174.900 0.072 0.000 1.150 1138 G CA 1.057 46.189 45.100 0.054 0.000 0.763 1138 G HN 0.337 nan 8.290 nan 0.000 0.561 1139 Q N 0.538 120.382 119.800 0.072 0.000 2.170 1139 Q HA 0.066 4.404 4.340 -0.002 0.000 0.203 1139 Q C 2.537 178.607 176.000 0.117 0.000 0.976 1139 Q CA 1.809 57.667 55.803 0.092 0.000 0.858 1139 Q CB -0.776 28.003 28.738 0.068 0.000 0.907 1139 Q HN 0.348 nan 8.270 nan 0.000 0.433 1140 G N 0.192 109.056 108.800 0.107 0.000 2.404 1140 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.215 1140 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.215 1140 G C 1.264 176.253 174.900 0.148 0.000 1.174 1140 G CA 0.651 45.838 45.100 0.145 0.000 0.780 1140 G HN 0.281 nan 8.290 nan 0.000 0.537 1141 K N 0.335 120.803 120.400 0.113 0.000 1.969 1141 K HA -0.129 4.190 4.320 -0.002 0.000 0.216 1141 K C 2.830 179.487 176.600 0.095 0.000 1.048 1141 K CA 1.506 57.846 56.287 0.087 0.000 0.948 1141 K CB -0.594 31.945 32.500 0.064 0.000 0.726 1141 K HN 0.268 nan 8.250 nan 0.000 0.442 1142 S N 1.170 116.933 115.700 0.105 0.000 2.378 1142 S HA -0.243 4.226 4.470 -0.002 0.000 0.229 1142 S C 1.572 176.291 174.600 0.199 0.000 1.052 1142 S CA 2.158 60.432 58.200 0.124 0.000 1.084 1142 S CB -0.474 62.812 63.200 0.145 0.000 0.950 1142 S HN 0.215 nan 8.310 nan 0.000 0.440 1143 D N 0.914 121.474 120.400 0.266 0.000 2.104 1143 D HA -0.070 4.569 4.640 -0.002 0.000 0.194 1143 D C 1.945 178.461 176.300 0.359 0.000 0.994 1143 D CA 1.382 55.623 54.000 0.402 0.000 0.830 1143 D CB -0.533 40.461 40.800 0.322 0.000 0.959 1143 D HN 0.498 nan 8.370 nan 0.000 0.452 1144 I N 1.220 121.907 120.570 0.195 0.000 2.118 1144 I HA -0.278 3.890 4.170 -0.002 0.000 0.241 1144 I C 2.001 178.188 176.117 0.117 0.000 1.070 1144 I CA 1.214 62.574 61.300 0.101 0.000 1.327 1144 I CB -0.258 37.723 38.000 -0.033 0.000 1.034 1144 I HN -0.078 nan 8.210 nan 0.000 0.405 1145 D N 1.090 121.536 120.400 0.076 0.000 2.087 1145 D HA -0.176 4.462 4.640 -0.002 0.000 0.192 1145 D C 2.266 178.568 176.300 0.003 0.000 0.993 1145 D CA 1.809 55.825 54.000 0.026 0.000 0.828 1145 D CB -0.364 40.436 40.800 0.000 0.000 0.968 1145 D HN 0.364 nan 8.370 nan 0.000 0.448 1146 A N 0.327 123.130 122.820 -0.028 0.000 1.859 1146 A HA -0.247 4.072 4.320 -0.002 0.000 0.217 1146 A C 2.258 179.765 177.584 -0.129 0.000 1.198 1146 A CA 1.532 53.425 52.037 -0.240 0.000 0.629 1146 A CB -1.391 17.276 19.000 -0.555 0.000 0.830 1146 A HN 0.293 nan 8.150 nan 0.000 0.446 1147 Y N -0.188 120.180 120.300 0.114 0.000 2.224 1147 Y HA -0.134 4.415 4.550 -0.002 0.000 0.289 1147 Y C 2.905 178.835 175.900 0.050 0.000 1.146 1147 Y CA 1.135 59.340 58.100 0.174 0.000 1.182 1147 Y CB -0.295 38.367 38.460 0.338 0.000 0.983 1147 Y HN 0.370 nan 8.280 nan 0.000 0.524 1148 A N -0.161 122.766 122.820 0.178 0.000 1.877 1148 A HA -0.235 4.083 4.320 -0.002 0.000 0.216 1148 A C 2.357 179.933 177.584 -0.012 0.000 1.186 1148 A CA 2.405 54.477 52.037 0.058 0.000 0.620 1148 A CB -1.406 17.623 19.000 0.048 0.000 0.822 1148 A HN 0.516 nan 8.150 nan 0.000 0.443 1149 T N -0.701 113.829 114.554 -0.039 0.000 2.674 1149 T HA -0.146 4.203 4.350 -0.002 0.000 0.265 1149 T C 1.855 176.507 174.700 -0.079 0.000 1.039 1149 T CA 1.537 63.596 62.100 -0.070 0.000 1.150 1149 T CB -0.814 67.992 68.868 -0.104 0.000 0.864 1149 T HN 0.370 nan 8.240 nan 0.000 0.427 1150 I N 1.444 121.949 120.570 -0.108 0.000 2.151 1150 I HA -0.178 3.991 4.170 -0.002 0.000 0.243 1150 I C 2.734 178.818 176.117 -0.055 0.000 1.080 1150 I CA 1.392 62.634 61.300 -0.096 0.000 1.339 1150 I CB -0.876 37.049 38.000 -0.125 0.000 1.039 1150 I HN 0.176 nan 8.210 nan 0.000 0.409 1151 V N 0.570 120.448 119.914 -0.060 0.000 2.427 1151 V HA -0.225 3.894 4.120 -0.002 0.000 0.248 1151 V C 2.362 178.410 176.094 -0.076 0.000 1.051 1151 V CA 1.620 63.850 62.300 -0.116 0.000 1.048 1151 V CB -0.726 30.898 31.823 -0.332 0.000 0.666 1151 V HN 0.402 nan 8.190 nan 0.000 0.456 1152 E N 0.599 120.764 120.200 -0.058 0.000 2.035 1152 E HA -0.247 4.102 4.350 -0.002 0.000 0.204 1152 E C 2.329 178.935 176.600 0.011 0.000 1.025 1152 E CA 1.714 58.102 56.400 -0.019 0.000 0.835 1152 E CB -0.624 29.065 29.700 -0.019 0.000 0.764 1152 E HN 0.625 nan 8.360 nan 0.000 0.457 1153 G N 0.975 109.776 108.800 0.001 0.000 2.459 1153 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.217 1153 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.217 1153 G C 1.574 176.521 174.900 0.079 0.000 1.183 1153 G CA 0.895 46.010 45.100 0.025 0.000 0.776 1153 G HN 0.116 nan 8.290 nan 0.000 0.552 1154 L N 0.525 121.785 121.223 0.062 0.000 2.079 1154 L HA -0.111 4.228 4.340 -0.002 0.000 0.210 1154 L C 3.093 180.066 176.870 0.172 0.000 1.081 1154 L CA 1.633 56.552 54.840 0.132 0.000 0.752 1154 L CB -0.931 41.145 42.059 0.029 0.000 0.896 1154 L HN 0.185 nan 8.230 nan 0.000 0.433 1155 T N -0.993 113.635 114.554 0.124 0.000 2.951 1155 T HA -0.155 4.194 4.350 -0.002 0.000 0.268 1155 T C 1.892 176.719 174.700 0.212 0.000 1.073 1155 T CA 0.936 63.170 62.100 0.225 0.000 1.134 1155 T CB 0.019 68.993 68.868 0.177 0.000 0.884 1155 T HN 0.236 nan 8.240 nan 0.000 0.479 1156 K N 0.273 120.760 120.400 0.145 0.000 1.973 1156 K HA -0.151 4.168 4.320 -0.002 0.000 0.212 1156 K C 2.149 178.821 176.600 0.120 0.000 1.047 1156 K CA 1.403 57.753 56.287 0.105 0.000 0.937 1156 K CB -0.392 32.163 32.500 0.091 0.000 0.721 1156 K HN 0.307 nan 8.250 nan 0.000 0.440 1157 Y N 0.707 121.038 120.300 0.052 0.000 2.062 1157 Y HA -0.336 4.213 4.550 -0.002 0.000 0.276 1157 Y C 1.935 177.902 175.900 0.112 0.000 1.189 1157 Y CA 1.860 59.997 58.100 0.062 0.000 1.130 1157 Y CB -0.825 37.662 38.460 0.045 0.000 0.959 1157 Y HN 0.150 nan 8.280 nan 0.000 0.499 1158 F N 1.325 121.084 119.950 -0.317 0.000 2.126 1158 F HA -0.239 4.287 4.527 -0.002 0.000 0.299 1158 F C 2.723 178.270 175.800 -0.423 0.000 1.096 1158 F CA 2.242 59.989 58.000 -0.421 0.000 1.255 1158 F CB -1.064 37.854 39.000 -0.136 0.000 0.997 1158 F HN 0.331 nan 8.300 nan 0.000 0.479 1159 Q N -0.751 118.814 119.800 -0.391 0.000 2.119 1159 Q HA -0.145 4.194 4.340 -0.002 0.000 0.201 1159 Q C 2.312 178.039 176.000 -0.455 0.000 0.972 1159 Q CA 1.711 57.028 55.803 -0.811 0.000 0.847 1159 Q CB -0.063 28.412 28.738 -0.439 0.000 0.903 1159 Q HN 0.328 nan 8.270 nan 0.000 0.433 1160 S N -0.205 115.369 115.700 -0.210 0.000 2.348 1160 S HA -0.144 4.325 4.470 -0.002 0.000 0.221 1160 S C 1.952 176.496 174.600 -0.094 0.000 1.033 1160 S CA 1.362 59.504 58.200 -0.096 0.000 1.010 1160 S CB -0.326 62.886 63.200 0.020 0.000 0.891 1160 S HN 0.256 nan 8.310 nan 0.000 0.442 1161 V N 1.952 121.799 119.914 -0.113 0.000 2.332 1161 V HA -0.239 3.880 4.120 -0.002 0.000 0.248 1161 V C 2.554 178.629 176.094 -0.032 0.000 1.055 1161 V CA 1.797 64.082 62.300 -0.025 0.000 1.038 1161 V CB -1.112 30.720 31.823 0.015 0.000 0.651 1161 V HN 0.559 nan 8.190 nan 0.000 0.450 1162 A N -0.212 122.526 122.820 -0.136 0.000 2.014 1162 A HA -0.229 4.090 4.320 -0.002 0.000 0.218 1162 A C 2.011 179.498 177.584 -0.162 0.000 1.163 1162 A CA 1.747 53.657 52.037 -0.211 0.000 0.652 1162 A CB -0.541 18.259 19.000 -0.333 0.000 0.808 1162 A HN 0.611 nan 8.150 nan 0.000 0.449 1163 D N -0.007 120.296 120.400 -0.162 0.000 2.117 1163 D HA -0.126 4.513 4.640 -0.002 0.000 0.198 1163 D C 1.810 178.101 176.300 -0.015 0.000 0.982 1163 D CA 1.789 55.740 54.000 -0.081 0.000 0.828 1163 D CB -0.071 40.683 40.800 -0.076 0.000 0.967 1163 D HN 0.220 nan 8.370 nan 0.000 0.464 1164 V N 0.341 120.258 119.914 0.005 0.000 2.307 1164 V HA -0.196 3.923 4.120 -0.002 0.000 0.245 1164 V C 2.518 178.666 176.094 0.089 0.000 1.045 1164 V CA 1.312 63.651 62.300 0.066 0.000 1.024 1164 V CB -0.712 31.168 31.823 0.096 0.000 0.651 1164 V HN 0.243 nan 8.190 nan 0.000 0.449 1165 M N 1.028 120.660 119.600 0.054 0.000 2.435 1165 M HA -0.113 4.366 4.480 -0.002 0.000 0.262 1165 M C 2.126 178.458 176.300 0.052 0.000 1.065 1165 M CA 1.644 56.983 55.300 0.065 0.000 1.076 1165 M CB -1.298 31.264 32.600 -0.063 0.000 1.403 1165 M HN 0.582 nan 8.290 nan 0.000 0.454 1166 S N 0.006 115.724 115.700 0.030 0.000 2.412 1166 S HA 0.048 4.517 4.470 -0.002 0.000 0.223 1166 S C 1.840 176.483 174.600 0.071 0.000 1.048 1166 S CA 0.276 58.499 58.200 0.039 0.000 0.954 1166 S CB -0.014 63.194 63.200 0.013 0.000 0.840 1166 S HN 0.412 nan 8.310 nan 0.000 0.503 1167 K N 1.358 121.807 120.400 0.082 0.000 2.103 1167 K HA -0.095 4.224 4.320 -0.002 0.000 0.207 1167 K C 1.929 178.657 176.600 0.213 0.000 1.048 1167 K CA 1.406 57.768 56.287 0.125 0.000 0.930 1167 K CB -0.635 31.938 32.500 0.122 0.000 0.716 1167 K HN 0.377 nan 8.250 nan 0.000 0.444 1168 L N -0.525 120.824 121.223 0.210 0.000 2.456 1168 L HA -0.049 4.290 4.340 -0.002 0.000 0.224 1168 L C 1.658 178.691 176.870 0.272 0.000 1.148 1168 L CA 1.371 56.377 54.840 0.278 0.000 0.825 1168 L CB -0.555 41.620 42.059 0.193 0.000 0.937 1168 L HN -0.007 nan 8.230 nan 0.000 0.450 1169 Q N 0.065 119.972 119.800 0.179 0.000 2.435 1169 Q HA -0.098 4.241 4.340 -0.002 0.000 0.207 1169 Q C 1.062 177.102 176.000 0.068 0.000 0.956 1169 Q CA 0.647 56.534 55.803 0.139 0.000 0.917 1169 Q CB -0.007 28.796 28.738 0.108 0.000 0.997 1169 Q HN 0.595 nan 8.270 nan 0.000 0.497 1170 D N -0.657 119.736 120.400 -0.011 0.000 2.348 1170 D HA -0.102 4.537 4.640 -0.002 0.000 0.216 1170 D C 0.073 176.096 176.300 -0.462 0.000 0.970 1170 D CA 0.949 54.788 54.000 -0.268 0.000 0.889 1170 D CB 0.215 40.759 40.800 -0.426 0.000 0.912 1170 D HN 0.361 nan 8.370 nan 0.000 0.524 1171 Y N -0.100 120.196 120.300 -0.007 0.000 2.708 1171 Y HA 0.385 4.934 4.550 -0.002 0.000 0.287 1171 Y C 0.199 176.057 175.900 -0.069 0.000 1.145 1171 Y CA -0.240 57.831 58.100 -0.049 0.000 1.249 1171 Y CB 0.394 38.817 38.460 -0.062 0.000 1.152 1171 Y HN -0.243 nan 8.280 nan 0.000 0.532 1172 I N 0.041 120.638 120.570 0.045 0.000 2.656 1172 I HA 0.512 4.681 4.170 -0.002 0.000 0.292 1172 I C -0.843 175.285 176.117 0.017 0.000 1.144 1172 I CA -0.465 60.856 61.300 0.036 0.000 1.038 1172 I CB 2.257 40.343 38.000 0.144 0.000 1.244 1172 I HN -0.062 nan 8.210 nan 0.000 0.420 1173 S N 2.929 118.576 115.700 -0.089 0.000 2.578 1173 S HA 0.773 5.241 4.470 -0.002 0.000 0.272 1173 S C -0.856 173.501 174.600 -0.406 0.000 1.145 1173 S CA -1.018 57.000 58.200 -0.302 0.000 0.835 1173 S CB 1.304 64.344 63.200 -0.267 0.000 1.104 1173 S HN 0.811 nan 8.310 nan 0.000 0.458 1174 A N 0.845 123.221 122.820 -0.740 0.000 2.450 1174 A HA 0.592 4.911 4.320 -0.002 0.000 0.255 1174 A C 0.754 178.177 177.584 -0.270 0.000 1.096 1174 A CA 0.101 51.863 52.037 -0.458 0.000 0.778 1174 A CB 0.361 19.048 19.000 -0.522 0.000 1.031 1174 A HN 0.958 nan 8.150 nan 0.000 0.494 1175 K N 2.099 122.400 120.400 -0.165 0.000 2.312 1175 K HA 0.195 4.514 4.320 -0.002 0.000 0.230 1175 K C -0.076 176.473 176.600 -0.084 0.000 1.048 1175 K CA 0.746 56.963 56.287 -0.117 0.000 0.938 1175 K CB -0.027 32.419 32.500 -0.090 0.000 1.139 1175 K HN 0.695 nan 8.250 nan 0.000 0.461 1176 D N 0.699 121.067 120.400 -0.052 0.000 2.478 1176 D HA 0.099 4.738 4.640 -0.002 0.000 0.269 1176 D C -0.491 175.792 176.300 -0.028 0.000 1.232 1176 D CA -0.131 53.848 54.000 -0.034 0.000 1.059 1176 D CB 0.566 41.357 40.800 -0.015 0.000 1.104 1176 D HN 0.263 nan 8.370 nan 0.000 0.566 1177 D N 0.789 121.181 120.400 -0.013 0.000 2.870 1177 D HA 0.080 4.719 4.640 -0.002 0.000 0.241 1177 D C 0.251 176.560 176.300 0.015 0.000 1.234 1177 D CA 0.099 54.099 54.000 0.000 0.000 0.844 1177 D CB 0.456 41.258 40.800 0.002 0.000 1.051 1177 D HN 0.068 nan 8.370 nan 0.000 0.469 1178 K N 0.185 120.595 120.400 0.017 0.000 2.434 1178 K HA 0.116 4.435 4.320 -0.002 0.000 0.170 1178 K C -0.668 175.957 176.600 0.041 0.000 1.738 1178 K CA -0.083 56.222 56.287 0.031 0.000 1.027 1178 K CB 0.349 32.864 32.500 0.026 0.000 1.595 1178 K HN 0.166 nan 8.250 nan 0.000 0.546 1179 N N -0.471 118.245 118.700 0.026 0.000 2.571 1179 N HA 0.509 5.248 4.740 -0.002 0.000 0.273 1179 N C -0.951 174.559 175.510 0.000 0.000 1.340 1179 N CA -0.834 52.238 53.050 0.037 0.000 0.789 1179 N CB 1.701 40.205 38.487 0.028 0.000 1.514 1179 N HN -0.261 nan 8.380 nan 0.000 0.499 1180 M N 0.941 120.546 119.600 0.007 0.000 2.644 1180 M HA 0.438 4.917 4.480 -0.002 0.000 0.304 1180 M C -0.922 175.318 176.300 -0.100 0.000 1.215 1180 M CA -0.653 54.600 55.300 -0.078 0.000 0.871 1180 M CB 1.897 34.399 32.600 -0.163 0.000 1.740 1180 M HN 0.482 nan 8.290 nan 0.000 0.464 1181 K N 1.726 122.031 120.400 -0.158 0.000 2.270 1181 K HA 0.755 5.074 4.320 -0.002 0.000 0.255 1181 K C -1.812 174.651 176.600 -0.229 0.000 0.936 1181 K CA -0.422 55.752 56.287 -0.187 0.000 0.809 1181 K CB 1.698 34.105 32.500 -0.155 0.000 1.131 1181 K HN 0.733 nan 8.250 nan 0.000 0.427 1182 I N 3.153 123.514 120.570 -0.348 0.000 2.500 1182 I HA 0.335 4.504 4.170 -0.002 0.000 0.286 1182 I C -1.272 174.628 176.117 -0.360 0.000 1.063 1182 I CA -0.620 60.445 61.300 -0.391 0.000 1.062 1182 I CB 1.620 39.216 38.000 -0.673 0.000 1.223 1182 I HN 0.690 nan 8.210 nan 0.000 0.435 1183 D N 6.546 126.832 120.400 -0.191 0.000 2.631 1183 D HA 0.218 4.857 4.640 -0.002 0.000 0.227 1183 D C 1.313 177.479 176.300 -0.225 0.000 1.146 1183 D CA 0.091 54.001 54.000 -0.151 0.000 1.009 1183 D CB 1.181 41.991 40.800 0.017 0.000 1.057 1183 D HN 0.789 nan 8.370 nan 0.000 0.509 1184 G N 0.722 109.342 108.800 -0.301 0.000 2.432 1184 G HA2 -0.205 3.753 3.960 -0.002 0.000 0.219 1184 G HA3 -0.205 3.753 3.960 -0.002 0.000 0.219 1184 G C 1.637 176.420 174.900 -0.194 0.000 1.135 1184 G CA 0.593 45.522 45.100 -0.285 0.000 0.767 1184 G HN 0.492 nan 8.290 nan 0.000 0.550 1185 G N 0.821 109.518 108.800 -0.173 0.000 2.442 1185 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.219 1185 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.219 1185 G C 1.866 176.668 174.900 -0.162 0.000 1.141 1185 G CA 1.034 46.056 45.100 -0.130 0.000 0.763 1185 G HN 0.357 nan 8.290 nan 0.000 0.554 1186 K N 0.057 120.306 120.400 -0.251 0.000 2.062 1186 K HA 0.112 4.431 4.320 -0.002 0.000 0.205 1186 K C 2.516 178.860 176.600 -0.426 0.000 1.051 1186 K CA 0.508 56.552 56.287 -0.404 0.000 0.941 1186 K CB -0.281 31.794 32.500 -0.708 0.000 0.719 1186 K HN 0.388 nan 8.250 nan 0.000 0.440 1187 I N 1.407 121.757 120.570 -0.366 0.000 2.286 1187 I HA -0.277 3.892 4.170 -0.002 0.000 0.248 1187 I C 2.153 178.230 176.117 -0.067 0.000 1.115 1187 I CA 1.290 62.475 61.300 -0.193 0.000 1.392 1187 I CB -0.204 37.731 38.000 -0.108 0.000 1.065 1187 I HN 0.100 nan 8.210 nan 0.000 0.418 1188 K N 0.923 121.286 120.400 -0.060 0.000 2.152 1188 K HA -0.191 4.128 4.320 -0.002 0.000 0.206 1188 K C 2.263 178.860 176.600 -0.004 0.000 1.048 1188 K CA 1.481 57.769 56.287 0.003 0.000 0.933 1188 K CB -0.296 32.202 32.500 -0.004 0.000 0.721 1188 K HN 0.360 nan 8.250 nan 0.000 0.447 1189 A N 1.495 124.284 122.820 -0.052 0.000 1.858 1189 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 1189 A C 2.144 179.721 177.584 -0.012 0.000 1.190 1189 A CA 1.336 53.347 52.037 -0.043 0.000 0.617 1189 A CB -0.730 18.218 19.000 -0.088 0.000 0.827 1189 A HN 0.156 nan 8.150 nan 0.000 0.443 1190 L N -0.549 120.656 121.223 -0.029 0.000 2.012 1190 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 1190 L C 2.520 179.428 176.870 0.063 0.000 1.073 1190 L CA 1.535 56.388 54.840 0.021 0.000 0.748 1190 L CB -0.580 41.492 42.059 0.021 0.000 0.891 1190 L HN 0.385 nan 8.230 nan 0.000 0.431 1191 I N -0.720 119.898 120.570 0.080 0.000 2.252 1191 I HA -0.276 3.893 4.170 -0.002 0.000 0.245 1191 I C 2.690 178.861 176.117 0.089 0.000 1.102 1191 I CA 0.994 62.361 61.300 0.113 0.000 1.385 1191 I CB -0.225 37.869 38.000 0.156 0.000 1.064 1191 I HN 0.305 nan 8.210 nan 0.000 0.414 1192 Q N 1.337 121.175 119.800 0.064 0.000 2.124 1192 Q HA -0.285 4.054 4.340 -0.002 0.000 0.202 1192 Q C 2.048 178.073 176.000 0.041 0.000 0.977 1192 Q CA 2.030 57.858 55.803 0.043 0.000 0.850 1192 Q CB -0.310 28.443 28.738 0.024 0.000 0.901 1192 Q HN 0.561 nan 8.270 nan 0.000 0.429 1193 Q N -0.799 119.042 119.800 0.067 0.000 2.084 1193 Q HA -0.120 4.219 4.340 -0.002 0.000 0.202 1193 Q C 1.821 177.912 176.000 0.151 0.000 0.978 1193 Q CA 2.102 57.978 55.803 0.122 0.000 0.844 1193 Q CB -0.348 28.474 28.738 0.140 0.000 0.898 1193 Q HN 0.289 nan 8.270 nan 0.000 0.426 1194 V N 0.833 120.821 119.914 0.124 0.000 2.332 1194 V HA -0.276 3.843 4.120 -0.002 0.000 0.248 1194 V C 2.308 178.470 176.094 0.113 0.000 1.055 1194 V CA 1.950 64.331 62.300 0.136 0.000 1.038 1194 V CB -0.545 31.359 31.823 0.135 0.000 0.651 1194 V HN 0.450 nan 8.190 nan 0.000 0.450 1195 I N 0.001 120.614 120.570 0.073 0.000 2.493 1195 I HA -0.191 3.978 4.170 -0.002 0.000 0.254 1195 I C 2.007 178.097 176.117 -0.045 0.000 1.160 1195 I CA 1.294 62.611 61.300 0.028 0.000 1.445 1195 I CB -0.343 37.671 38.000 0.023 0.000 1.086 1195 I HN 0.326 nan 8.210 nan 0.000 0.433 1196 D N -0.587 119.740 120.400 -0.122 0.000 2.249 1196 D HA -0.043 4.596 4.640 -0.002 0.000 0.205 1196 D C 1.055 177.066 176.300 -0.481 0.000 0.962 1196 D CA 1.099 54.900 54.000 -0.333 0.000 0.860 1196 D CB 0.017 40.530 40.800 -0.479 0.000 0.955 1196 D HN 0.412 nan 8.370 nan 0.000 0.505 1197 H N 0.248 119.332 119.070 0.023 0.000 2.505 1197 H HA 0.253 4.808 4.556 -0.002 0.000 0.260 1197 H C 0.287 175.633 175.328 0.030 0.000 1.232 1197 H CA -0.307 55.754 56.048 0.021 0.000 0.991 1197 H CB 0.418 30.192 29.762 0.021 0.000 1.729 1197 H HN 0.025 nan 8.280 nan 0.000 0.561 1198 L N 3.680 124.944 121.223 0.070 0.000 2.453 1198 L HA 0.093 4.431 4.340 -0.002 0.000 0.272 1198 L C -1.512 175.381 176.870 0.038 0.000 1.182 1198 L CA -1.458 53.414 54.840 0.054 0.000 0.858 1198 L CB 0.538 42.585 42.059 -0.020 0.000 1.120 1198 L HN 0.071 nan 8.230 nan 0.000 0.474 1199 P HA 0.037 nan 4.420 nan 0.000 0.267 1199 P C -0.682 176.610 177.300 -0.012 0.000 1.205 1199 P CA -0.102 63.017 63.100 0.032 0.000 0.765 1199 P CB 0.524 32.256 31.700 0.054 0.000 0.828 1200 T N 4.346 118.892 114.554 -0.014 0.000 2.829 1200 T HA 0.515 4.864 4.350 -0.002 0.000 0.282 1200 T C 0.329 175.002 174.700 -0.046 0.000 0.990 1200 T CA -0.209 61.870 62.100 -0.035 0.000 1.028 1200 T CB 0.571 69.422 68.868 -0.028 0.000 0.951 1200 T HN 0.311 nan 8.240 nan 0.000 0.460 1201 M N 2.704 122.263 119.600 -0.069 0.000 2.598 1201 M HA 0.518 4.997 4.480 -0.002 0.000 0.317 1201 M C -0.579 175.657 176.300 -0.107 0.000 1.179 1201 M CA -0.804 54.442 55.300 -0.090 0.000 0.936 1201 M CB 2.160 34.694 32.600 -0.109 0.000 1.713 1201 M HN 0.397 nan 8.290 nan 0.000 0.460 1202 Q N 2.490 122.217 119.800 -0.121 0.000 2.337 1202 Q HA 0.499 4.838 4.340 -0.002 0.000 0.260 1202 Q C -1.945 173.950 176.000 -0.175 0.000 0.982 1202 Q CA -0.142 55.583 55.803 -0.129 0.000 0.734 1202 Q CB 1.085 29.769 28.738 -0.089 0.000 1.272 1202 Q HN 0.733 nan 8.270 nan 0.000 0.461 1203 L N 5.695 126.774 121.223 -0.240 0.000 2.453 1203 L HA 0.313 4.652 4.340 -0.002 0.000 0.272 1203 L C -1.708 175.031 176.870 -0.217 0.000 1.182 1203 L CA -1.635 53.005 54.840 -0.334 0.000 0.858 1203 L CB 0.196 41.978 42.059 -0.461 0.000 1.120 1203 L HN 0.558 nan 8.230 nan 0.000 0.474 1204 P HA -0.066 nan 4.420 nan 0.000 0.267 1204 P C -1.039 176.222 177.300 -0.066 0.000 1.195 1204 P CA -0.126 62.915 63.100 -0.099 0.000 0.773 1204 P CB 0.246 31.907 31.700 -0.065 0.000 0.837 1205 K N 1.552 121.931 120.400 -0.035 0.000 2.294 1205 K HA 0.424 4.743 4.320 -0.002 0.000 0.288 1205 K C 0.836 177.440 176.600 0.006 0.000 1.072 1205 K CA -0.063 56.214 56.287 -0.017 0.000 0.960 1205 K CB -0.870 31.623 32.500 -0.011 0.000 1.043 1205 K HN 0.706 nan 8.250 nan 0.000 0.455 1206 G N 1.379 110.189 108.800 0.017 0.000 2.273 1206 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.162 1206 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.162 1206 G C 0.170 175.118 174.900 0.080 0.000 1.006 1206 G CA -0.352 44.774 45.100 0.042 0.000 0.704 1206 G HN 0.893 nan 8.290 nan 0.000 0.487 1207 A N 0.437 123.310 122.820 0.088 0.000 2.425 1207 A HA 0.514 4.833 4.320 -0.002 0.000 0.242 1207 A C 0.346 178.065 177.584 0.225 0.000 1.077 1207 A CA 0.799 52.962 52.037 0.210 0.000 0.781 1207 A CB 0.386 19.442 19.000 0.093 0.000 1.020 1207 A HN 0.560 nan 8.150 nan 0.000 0.494 1208 D N 1.812 122.405 120.400 0.322 0.000 2.522 1208 D HA 0.293 4.932 4.640 -0.002 0.000 0.218 1208 D C 0.724 177.212 176.300 0.313 0.000 1.149 1208 D CA -0.460 53.666 54.000 0.210 0.000 0.981 1208 D CB -0.438 40.420 40.800 0.096 0.000 1.041 1208 D HN 0.277 nan 8.370 nan 0.000 0.518 1209 I N 2.563 123.295 120.570 0.269 0.000 2.182 1209 I HA -0.344 3.824 4.170 -0.002 0.000 0.248 1209 I C 2.433 178.666 176.117 0.193 0.000 1.073 1209 I CA 1.739 63.180 61.300 0.234 0.000 1.335 1209 I CB -0.650 37.407 38.000 0.094 0.000 1.031 1209 I HN 0.493 nan 8.210 nan 0.000 0.420 1210 A N 0.198 123.087 122.820 0.115 0.000 1.940 1210 A HA -0.265 4.054 4.320 -0.002 0.000 0.219 1210 A C 2.513 180.120 177.584 0.039 0.000 1.176 1210 A CA 2.047 54.123 52.037 0.063 0.000 0.631 1210 A CB -0.647 18.375 19.000 0.036 0.000 0.814 1210 A HN 0.443 nan 8.150 nan 0.000 0.446 1211 R N -1.473 119.030 120.500 0.005 0.000 2.148 1211 R HA -0.127 4.211 4.340 -0.002 0.000 0.223 1211 R C 1.733 177.926 176.300 -0.178 0.000 1.088 1211 R CA 1.411 57.433 56.100 -0.131 0.000 0.985 1211 R CB -0.421 29.727 30.300 -0.253 0.000 0.880 1211 R HN 0.690 nan 8.270 nan 0.000 0.451 1212 W N 0.954 122.239 121.300 -0.025 0.000 2.494 1212 W HA 0.143 4.802 4.660 -0.002 0.000 0.286 1212 W C 2.521 179.012 176.519 -0.047 0.000 1.218 1212 W CA 0.367 57.681 57.345 -0.052 0.000 1.313 1212 W CB 0.079 29.496 29.460 -0.072 0.000 1.105 1212 W HN 0.005 nan 8.180 nan 0.000 0.561 1213 R N 0.442 121.049 120.500 0.179 0.000 2.075 1213 R HA -0.106 4.233 4.340 -0.002 0.000 0.232 1213 R C 1.914 178.247 176.300 0.055 0.000 1.126 1213 R CA 1.296 57.453 56.100 0.094 0.000 0.963 1213 R CB -0.570 29.768 30.300 0.063 0.000 0.858 1213 R HN 0.022 nan 8.270 nan 0.000 0.435 1214 K N 1.319 121.739 120.400 0.033 0.000 2.097 1214 K HA -0.172 4.146 4.320 -0.002 0.000 0.206 1214 K C 1.953 178.558 176.600 0.009 0.000 1.049 1214 K CA 1.472 57.765 56.287 0.010 0.000 0.933 1214 K CB 0.038 32.533 32.500 -0.008 0.000 0.717 1214 K HN 0.135 nan 8.250 nan 0.000 0.442 1215 E N -0.298 119.904 120.200 0.003 0.000 2.112 1215 E HA -0.077 4.272 4.350 -0.002 0.000 0.190 1215 E C 1.582 178.217 176.600 0.058 0.000 0.979 1215 E CA 0.747 57.154 56.400 0.011 0.000 0.814 1215 E CB 0.125 29.798 29.700 -0.046 0.000 0.762 1215 E HN 0.291 nan 8.360 nan 0.000 0.460 1216 L N -0.053 121.217 121.223 0.079 0.000 2.492 1216 L HA 0.178 4.517 4.340 -0.002 0.000 0.223 1216 L C 1.226 178.122 176.870 0.043 0.000 1.132 1216 L CA 0.255 55.142 54.840 0.078 0.000 0.850 1216 L CB -0.257 41.855 42.059 0.087 0.000 0.966 1216 L HN 0.227 nan 8.230 nan 0.000 0.454 1217 G N 0.661 109.481 108.800 0.033 0.000 2.750 1217 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.228 1217 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.228 1217 G C 0.503 175.407 174.900 0.006 0.000 1.367 1217 G CA 0.099 45.209 45.100 0.017 0.000 0.871 1217 G HN 0.323 nan 8.290 nan 0.000 0.560 1218 D N 0.124 120.524 120.400 0.001 0.000 2.182 1218 D HA -0.095 4.544 4.640 -0.002 0.000 0.201 1218 D C 2.603 178.893 176.300 -0.018 0.000 0.986 1218 D CA 2.234 56.230 54.000 -0.007 0.000 0.847 1218 D CB -0.535 40.263 40.800 -0.005 0.000 0.942 1218 D HN 1.063 nan 8.370 nan 0.000 0.467 1219 A N 0.562 123.372 122.820 -0.017 0.000 2.032 1219 A HA -0.066 4.253 4.320 -0.002 0.000 0.221 1219 A C 1.504 179.047 177.584 -0.069 0.000 1.165 1219 A CA 1.796 53.812 52.037 -0.034 0.000 0.645 1219 A CB -0.396 18.591 19.000 -0.021 0.000 0.807 1219 A HN 0.314 nan 8.150 nan 0.000 0.453 1220 V N -4.450 115.432 119.914 -0.052 0.000 3.126 1220 V HA 0.838 4.957 4.120 -0.002 0.000 0.314 1220 V C -0.413 175.654 176.094 -0.046 0.000 1.138 1220 V CA -0.141 62.118 62.300 -0.069 0.000 1.034 1220 V CB 1.717 33.502 31.823 -0.064 0.000 1.075 1220 V HN 0.479 nan 8.190 nan 0.000 0.442 1221 S N 1.063 116.731 115.700 -0.053 0.000 2.541 1221 S HA 0.823 5.291 4.470 -0.002 0.000 0.280 1221 S C -1.150 173.426 174.600 -0.039 0.000 1.112 1221 S CA -0.719 57.459 58.200 -0.036 0.000 0.925 1221 S CB 1.315 64.493 63.200 -0.037 0.000 1.067 1221 S HN 0.847 nan 8.310 nan 0.000 0.479 1222 I N 3.849 124.404 120.570 -0.024 0.000 2.466 1222 I HA 0.333 4.501 4.170 -0.002 0.000 0.289 1222 I C 0.944 177.047 176.117 -0.023 0.000 1.026 1222 I CA -0.738 60.543 61.300 -0.031 0.000 1.078 1222 I CB 2.204 40.194 38.000 -0.018 0.000 1.249 1222 I HN 0.820 nan 8.210 nan 0.000 0.429 1223 S N 3.728 119.409 115.700 -0.033 0.000 2.373 1223 S HA 0.075 4.543 4.470 -0.002 0.000 0.219 1223 S C 0.384 174.973 174.600 -0.017 0.000 1.377 1223 S CA 0.606 58.791 58.200 -0.025 0.000 1.021 1223 S CB 0.322 63.504 63.200 -0.031 0.000 0.777 1223 S HN 0.677 nan 8.310 nan 0.000 0.463 1224 D N -0.908 119.482 120.400 -0.017 0.000 2.520 1224 D HA 0.250 4.889 4.640 -0.002 0.000 0.223 1224 D C 1.209 177.500 176.300 -0.015 0.000 1.186 1224 D CA 0.226 54.220 54.000 -0.009 0.000 0.821 1224 D CB 0.308 41.106 40.800 -0.003 0.000 1.072 1224 D HN 0.411 nan 8.370 nan 0.000 0.518 1225 S N -0.312 115.373 115.700 -0.024 0.000 2.558 1225 S HA 0.240 4.708 4.470 -0.002 0.000 0.217 1225 S C 1.492 176.063 174.600 -0.048 0.000 0.975 1225 S CA 1.080 59.262 58.200 -0.031 0.000 0.912 1225 S CB -0.023 63.159 63.200 -0.030 0.000 0.776 1225 S HN 0.341 nan 8.310 nan 0.000 0.526 1226 G N 0.435 109.200 108.800 -0.058 0.000 2.132 1226 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.228 1226 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.228 1226 G C -0.084 174.749 174.900 -0.113 0.000 1.000 1226 G CA 0.080 45.121 45.100 -0.098 0.000 0.693 1226 G HN 0.539 nan 8.290 nan 0.000 0.515 1227 V N 1.467 121.331 119.914 -0.082 0.000 2.372 1227 V HA 0.386 4.505 4.120 -0.002 0.000 0.261 1227 V C 0.927 176.970 176.094 -0.085 0.000 1.055 1227 V CA -0.463 61.789 62.300 -0.080 0.000 0.930 1227 V CB 1.354 33.142 31.823 -0.058 0.000 1.031 1227 V HN 0.290 nan 8.190 nan 0.000 0.479 1228 V N 5.690 125.540 119.914 -0.107 0.000 2.498 1228 V HA 0.503 4.622 4.120 -0.002 0.000 0.279 1228 V C 0.558 176.597 176.094 -0.092 0.000 1.048 1228 V CA -0.169 62.068 62.300 -0.106 0.000 0.967 1228 V CB 1.447 33.188 31.823 -0.138 0.000 0.988 1228 V HN 0.989 nan 8.190 nan 0.000 0.473 1229 T N 2.370 116.871 114.554 -0.088 0.000 2.906 1229 T HA 0.759 5.108 4.350 -0.002 0.000 0.295 1229 T C -0.688 173.936 174.700 -0.127 0.000 1.061 1229 T CA -0.705 61.337 62.100 -0.097 0.000 1.000 1229 T CB 1.774 70.593 68.868 -0.080 0.000 1.103 1229 T HN 0.263 nan 8.240 nan 0.000 0.486 1230 I N 2.690 123.152 120.570 -0.180 0.000 2.331 1230 I HA 0.258 4.426 4.170 -0.002 0.000 0.292 1230 I C 0.548 176.523 176.117 -0.238 0.000 0.998 1230 I CA -0.757 60.375 61.300 -0.280 0.000 1.267 1230 I CB 1.042 38.720 38.000 -0.538 0.000 1.386 1230 I HN 0.651 nan 8.210 nan 0.000 0.476 1231 N N 9.281 127.868 118.700 -0.188 0.000 2.423 1231 N HA 0.038 4.777 4.740 -0.002 0.000 0.275 1231 N C -1.638 173.799 175.510 -0.121 0.000 1.283 1231 N CA -1.240 51.737 53.050 -0.121 0.000 0.932 1231 N CB 0.858 39.299 38.487 -0.077 0.000 1.185 1231 N HN 0.339 nan 8.380 nan 0.000 0.483 1232 P HA -0.028 nan 4.420 nan 0.000 0.249 1232 P C 0.714 178.019 177.300 0.008 0.000 1.241 1232 P CA 0.158 63.239 63.100 -0.032 0.000 0.781 1232 P CB 0.167 31.854 31.700 -0.022 0.000 1.088 1233 D N 1.718 122.117 120.400 -0.002 0.000 2.133 1233 D HA -0.239 4.400 4.640 -0.002 0.000 0.192 1233 D C 1.341 177.659 176.300 0.029 0.000 1.001 1233 D CA 1.587 55.595 54.000 0.012 0.000 0.844 1233 D CB -0.400 40.402 40.800 0.004 0.000 0.944 1233 D HN 0.187 nan 8.370 nan 0.000 0.447 1234 K N -0.051 120.374 120.400 0.042 0.000 2.155 1234 K HA 0.040 4.359 4.320 -0.002 0.000 0.203 1234 K C 2.560 179.186 176.600 0.042 0.000 1.052 1234 K CA 0.450 56.762 56.287 0.042 0.000 0.948 1234 K CB 0.000 32.538 32.500 0.063 0.000 0.728 1234 K HN 0.262 nan 8.250 nan 0.000 0.448 1235 L N 0.909 122.181 121.223 0.081 0.000 2.201 1235 L HA -0.144 4.194 4.340 -0.002 0.000 0.212 1235 L C 2.180 179.099 176.870 0.081 0.000 1.105 1235 L CA 0.465 55.359 54.840 0.090 0.000 0.775 1235 L CB -0.329 41.811 42.059 0.135 0.000 0.913 1235 L HN 0.119 nan 8.230 nan 0.000 0.440 1236 I N 0.308 120.917 120.570 0.065 0.000 2.286 1236 I HA -0.216 3.953 4.170 -0.002 0.000 0.245 1236 I C 2.377 178.540 176.117 0.077 0.000 1.104 1236 I CA 1.537 62.875 61.300 0.064 0.000 1.397 1236 I CB -0.889 37.137 38.000 0.044 0.000 1.072 1236 I HN 0.265 nan 8.210 nan 0.000 0.417 1237 K N 0.324 120.761 120.400 0.062 0.000 2.097 1237 K HA -0.078 4.241 4.320 -0.002 0.000 0.205 1237 K C 2.138 178.807 176.600 0.114 0.000 1.050 1237 K CA 1.210 57.540 56.287 0.072 0.000 0.938 1237 K CB -0.180 32.344 32.500 0.040 0.000 0.718 1237 K HN 0.244 nan 8.250 nan 0.000 0.442 1238 M N 0.401 120.049 119.600 0.080 0.000 2.117 1238 M HA -0.142 4.337 4.480 -0.002 0.000 0.262 1238 M C 2.460 179.004 176.300 0.406 0.000 1.065 1238 M CA 1.459 56.855 55.300 0.160 0.000 1.114 1238 M CB -0.263 32.245 32.600 -0.152 0.000 1.361 1238 M HN 0.116 nan 8.290 nan 0.000 0.408 1239 R N 0.742 121.395 120.500 0.255 0.000 2.066 1239 R HA -0.147 4.191 4.340 -0.002 0.000 0.232 1239 R C 0.885 177.301 176.300 0.194 0.000 1.131 1239 R CA 1.724 57.957 56.100 0.221 0.000 0.955 1239 R CB -0.147 30.236 30.300 0.138 0.000 0.851 1239 R HN 0.251 nan 8.270 nan 0.000 0.432 1240 D N -0.291 120.208 120.400 0.164 0.000 2.378 1240 D HA -0.052 4.587 4.640 -0.002 0.000 0.227 1240 D C 1.177 177.591 176.300 0.189 0.000 1.012 1240 D CA 0.564 54.649 54.000 0.142 0.000 0.905 1240 D CB 0.299 41.162 40.800 0.106 0.000 0.895 1240 D HN 0.106 nan 8.370 nan 0.000 0.532 1241 S N -0.828 115.046 115.700 0.289 0.000 2.517 1241 S HA 0.157 4.625 4.470 -0.002 0.000 0.214 1241 S C 0.680 175.532 174.600 0.420 0.000 0.991 1241 S CA -0.325 58.110 58.200 0.392 0.000 0.906 1241 S CB 0.149 63.670 63.200 0.537 0.000 0.789 1241 S HN 0.058 nan 8.310 nan 0.000 0.513 1242 L N 3.009 124.398 121.223 0.277 0.000 2.418 1242 L HA 0.451 4.790 4.340 -0.002 0.000 0.265 1242 L C -1.823 175.042 176.870 -0.008 0.000 1.143 1242 L CA -1.901 52.976 54.840 0.062 0.000 0.809 1242 L CB 0.662 42.720 42.059 -0.002 0.000 1.124 1242 L HN 0.164 nan 8.230 nan 0.000 0.456 1243 P HA 0.389 nan 4.420 nan 0.000 0.284 1243 P C -2.822 174.373 177.300 -0.175 0.000 1.292 1243 P CA -1.913 61.110 63.100 -0.128 0.000 0.800 1243 P CB 0.208 31.743 31.700 -0.274 0.000 1.188 1244 P HA 0.111 nan 4.420 nan 0.000 0.274 1244 P C -0.351 176.842 177.300 -0.179 0.000 1.246 1244 P CA 0.000 63.024 63.100 -0.126 0.000 0.795 1244 P CB 0.173 31.825 31.700 -0.081 0.000 1.006 1245 D N 0.006 120.319 120.400 -0.145 0.000 2.478 1245 D HA 0.179 4.818 4.640 -0.002 0.000 0.234 1245 D C 1.641 177.860 176.300 -0.136 0.000 1.154 1245 D CA 1.931 55.847 54.000 -0.140 0.000 0.874 1245 D CB -0.330 40.412 40.800 -0.097 0.000 1.198 1245 D HN 0.715 nan 8.370 nan 0.000 0.455 1246 G N 1.325 110.043 108.800 -0.137 0.000 2.168 1246 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.263 1246 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.263 1246 G C 0.567 175.366 174.900 -0.169 0.000 0.977 1246 G CA 0.729 45.752 45.100 -0.128 0.000 0.659 1246 G HN 0.601 nan 8.290 nan 0.000 0.533 1247 T N 0.331 114.730 114.554 -0.258 0.000 2.930 1247 T HA 0.457 4.805 4.350 -0.002 0.000 0.306 1247 T C 0.394 174.891 174.700 -0.340 0.000 1.045 1247 T CA 0.241 62.148 62.100 -0.321 0.000 1.134 1247 T CB 2.268 70.814 68.868 -0.537 0.000 0.961 1247 T HN 0.566 nan 8.240 nan 0.000 0.545 1248 V N 3.498 123.289 119.914 -0.206 0.000 2.409 1248 V HA 0.406 4.525 4.120 -0.002 0.000 0.291 1248 V C -0.851 175.293 176.094 0.082 0.000 1.020 1248 V CA -1.025 61.215 62.300 -0.100 0.000 0.848 1248 V CB 1.285 33.085 31.823 -0.038 0.000 0.990 1248 V HN 0.760 nan 8.190 nan 0.000 0.430 1249 W N 2.789 124.080 121.300 -0.015 0.000 2.627 1249 W HA 0.515 5.174 4.660 -0.002 0.000 0.339 1249 W C 0.028 176.567 176.519 0.033 0.000 1.058 1249 W CA -1.580 55.779 57.345 0.024 0.000 1.223 1249 W CB 1.733 31.238 29.460 0.076 0.000 1.389 1249 W HN 0.780 nan 8.180 nan 0.000 0.541 1250 D N -0.387 120.161 120.400 0.247 0.000 2.371 1250 D HA 0.063 4.702 4.640 -0.002 0.000 0.242 1250 D C 1.001 177.397 176.300 0.160 0.000 1.218 1250 D CA -0.076 54.010 54.000 0.143 0.000 0.945 1250 D CB 0.322 41.171 40.800 0.082 0.000 1.137 1250 D HN 0.188 nan 8.370 nan 0.000 0.464 1251 T N 0.062 114.693 114.554 0.128 0.000 2.788 1251 T HA -0.088 4.261 4.350 -0.002 0.000 0.268 1251 T C 1.831 176.614 174.700 0.139 0.000 1.044 1251 T CA 1.757 63.951 62.100 0.157 0.000 1.139 1251 T CB -0.454 68.485 68.868 0.117 0.000 0.867 1251 T HN 0.591 nan 8.240 nan 0.000 0.454 1252 A N 1.696 124.557 122.820 0.069 0.000 1.902 1252 A HA -0.118 4.201 4.320 -0.002 0.000 0.217 1252 A C 2.391 179.953 177.584 -0.036 0.000 1.181 1252 A CA 1.223 53.273 52.037 0.022 0.000 0.623 1252 A CB -0.413 18.587 19.000 0.000 0.000 0.818 1252 A HN 0.173 nan 8.150 nan 0.000 0.443 1253 R N -1.623 118.812 120.500 -0.108 0.000 2.073 1253 R HA -0.136 4.203 4.340 -0.002 0.000 0.234 1253 R C 2.017 178.054 176.300 -0.438 0.000 1.134 1253 R CA 1.881 57.752 56.100 -0.382 0.000 0.952 1253 R CB -1.043 28.878 30.300 -0.631 0.000 0.850 1253 R HN 0.741 nan 8.270 nan 0.000 0.433 1254 Y N 1.848 122.046 120.300 -0.170 0.000 2.145 1254 Y HA -0.251 4.298 4.550 -0.002 0.000 0.286 1254 Y C 2.370 178.390 175.900 0.200 0.000 1.145 1254 Y CA 1.631 59.842 58.100 0.186 0.000 1.148 1254 Y CB 0.007 38.698 38.460 0.386 0.000 0.981 1254 Y HN 0.050 nan 8.280 nan 0.000 0.507 1255 Q N 0.428 120.300 119.800 0.120 0.000 2.077 1255 Q HA -0.260 4.079 4.340 -0.002 0.000 0.206 1255 Q C 2.567 178.525 176.000 -0.071 0.000 0.989 1255 Q CA 1.676 57.494 55.803 0.025 0.000 0.853 1255 Q CB -1.078 27.700 28.738 0.066 0.000 0.907 1255 Q HN 0.648 nan 8.270 nan 0.000 0.418 1256 A N 0.173 122.946 122.820 -0.078 0.000 1.883 1256 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 1256 A C 1.910 179.447 177.584 -0.080 0.000 1.186 1256 A CA 1.534 53.519 52.037 -0.087 0.000 0.624 1256 A CB -1.195 17.740 19.000 -0.108 0.000 0.822 1256 A HN 0.572 nan 8.150 nan 0.000 0.444 1257 W N 1.386 122.519 121.300 -0.279 0.000 2.355 1257 W HA -0.202 4.457 4.660 -0.002 0.000 0.309 1257 W C 2.050 178.502 176.519 -0.112 0.000 1.206 1257 W CA 1.816 59.053 57.345 -0.180 0.000 1.284 1257 W CB -0.267 29.091 29.460 -0.170 0.000 1.145 1257 W HN 0.437 nan 8.180 nan 0.000 0.502 1258 N N -0.201 118.282 118.700 -0.361 0.000 2.043 1258 N HA -0.194 4.545 4.740 -0.002 0.000 0.193 1258 N C 1.550 176.836 175.510 -0.374 0.000 1.037 1258 N CA 2.842 55.560 53.050 -0.552 0.000 0.851 1258 N CB -0.872 37.374 38.487 -0.402 0.000 1.027 1258 N HN 0.196 nan 8.380 nan 0.000 0.422 1259 T N 1.014 115.432 114.554 -0.227 0.000 2.652 1259 T HA -0.096 4.253 4.350 -0.002 0.000 0.267 1259 T C 1.969 176.570 174.700 -0.165 0.000 1.039 1259 T CA 1.928 63.937 62.100 -0.151 0.000 1.153 1259 T CB -0.683 68.128 68.868 -0.095 0.000 0.863 1259 T HN 0.462 nan 8.240 nan 0.000 0.428 1260 A N 0.781 123.495 122.820 -0.177 0.000 1.902 1260 A HA -0.027 4.292 4.320 -0.002 0.000 0.217 1260 A C 2.052 179.525 177.584 -0.184 0.000 1.181 1260 A CA 1.358 53.311 52.037 -0.139 0.000 0.623 1260 A CB -1.004 17.950 19.000 -0.078 0.000 0.818 1260 A HN 0.440 nan 8.150 nan 0.000 0.443 1261 F N 1.240 120.847 119.950 -0.571 0.000 2.134 1261 F HA -0.130 4.396 4.527 -0.002 0.000 0.299 1261 F C 2.611 178.198 175.800 -0.354 0.000 1.097 1261 F CA 1.876 59.523 58.000 -0.588 0.000 1.264 1261 F CB -0.202 38.060 39.000 -1.230 0.000 1.001 1261 F HN 0.199 nan 8.300 nan 0.000 0.479 1262 S N -0.271 115.304 115.700 -0.210 0.000 2.428 1262 S HA -0.049 4.420 4.470 -0.002 0.000 0.230 1262 S C 2.296 176.814 174.600 -0.137 0.000 1.014 1262 S CA 0.847 58.951 58.200 -0.161 0.000 0.957 1262 S CB -0.929 62.201 63.200 -0.116 0.000 0.784 1262 S HN 0.556 nan 8.310 nan 0.000 0.499 1263 G N 0.979 109.701 108.800 -0.130 0.000 2.408 1263 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.217 1263 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.217 1263 G C 1.445 176.295 174.900 -0.082 0.000 1.150 1263 G CA 0.628 45.677 45.100 -0.084 0.000 0.776 1263 G HN 0.336 nan 8.290 nan 0.000 0.542 1264 Q N 0.207 119.922 119.800 -0.141 0.000 2.172 1264 Q HA 0.083 4.422 4.340 -0.002 0.000 0.200 1264 Q C 2.385 178.321 176.000 -0.107 0.000 0.964 1264 Q CA 1.143 56.867 55.803 -0.131 0.000 0.855 1264 Q CB -0.222 28.400 28.738 -0.194 0.000 0.918 1264 Q HN 0.573 nan 8.270 nan 0.000 0.444 1265 K N 0.068 120.367 120.400 -0.169 0.000 2.057 1265 K HA -0.168 4.150 4.320 -0.002 0.000 0.207 1265 K C 1.026 177.718 176.600 0.153 0.000 1.049 1265 K CA 1.591 57.860 56.287 -0.031 0.000 0.931 1265 K CB -0.001 32.416 32.500 -0.138 0.000 0.714 1265 K HN 0.112 nan 8.250 nan 0.000 0.440 1266 D N 0.646 121.089 120.400 0.071 0.000 2.144 1266 D HA -0.133 4.506 4.640 -0.002 0.000 0.199 1266 D C 1.473 177.830 176.300 0.096 0.000 0.984 1266 D CA 1.027 55.093 54.000 0.110 0.000 0.834 1266 D CB -0.354 40.474 40.800 0.047 0.000 0.955 1266 D HN 0.368 nan 8.370 nan 0.000 0.465 1267 N N -0.048 118.682 118.700 0.051 0.000 2.223 1267 N HA -0.082 4.657 4.740 -0.002 0.000 0.185 1267 N C 1.831 177.375 175.510 0.057 0.000 1.016 1267 N CA 0.409 53.481 53.050 0.038 0.000 0.863 1267 N CB 0.153 38.649 38.487 0.015 0.000 0.983 1267 N HN 0.184 nan 8.380 nan 0.000 0.429 1268 I N 0.753 121.380 120.570 0.096 0.000 2.333 1268 I HA -0.222 3.947 4.170 -0.002 0.000 0.246 1268 I C 2.609 178.730 176.117 0.006 0.000 1.106 1268 I CA 0.803 62.157 61.300 0.090 0.000 1.411 1268 I CB -0.380 37.706 38.000 0.144 0.000 1.082 1268 I HN 0.251 nan 8.210 nan 0.000 0.420 1269 Q N 1.540 121.402 119.800 0.103 0.000 2.096 1269 Q HA -0.268 4.071 4.340 -0.002 0.000 0.204 1269 Q C 1.887 177.866 176.000 -0.035 0.000 0.982 1269 Q CA 2.196 58.031 55.803 0.052 0.000 0.850 1269 Q CB -0.002 28.915 28.738 0.300 0.000 0.901 1269 Q HN 0.426 nan 8.270 nan 0.000 0.422 1270 N N 0.869 119.579 118.700 0.016 0.000 2.043 1270 N HA -0.164 4.575 4.740 -0.002 0.000 0.193 1270 N C 1.234 176.722 175.510 -0.037 0.000 1.037 1270 N CA 1.750 54.798 53.050 -0.003 0.000 0.851 1270 N CB -0.287 38.209 38.487 0.015 0.000 1.027 1270 N HN 0.328 nan 8.380 nan 0.000 0.422 1271 D N -0.412 119.966 120.400 -0.037 0.000 2.149 1271 D HA -0.090 4.548 4.640 -0.002 0.000 0.198 1271 D C 1.907 178.146 176.300 -0.102 0.000 0.990 1271 D CA 0.664 54.640 54.000 -0.040 0.000 0.839 1271 D CB -0.339 40.460 40.800 -0.001 0.000 0.948 1271 D HN 0.092 nan 8.370 nan 0.000 0.460 1272 V N 0.512 120.285 119.914 -0.234 0.000 2.488 1272 V HA -0.197 3.922 4.120 -0.002 0.000 0.246 1272 V C 2.455 178.393 176.094 -0.260 0.000 1.046 1272 V CA 1.147 63.213 62.300 -0.391 0.000 1.053 1272 V CB -0.417 30.786 31.823 -1.034 0.000 0.679 1272 V HN 0.069 nan 8.190 nan 0.000 0.458 1273 Q N 0.807 120.492 119.800 -0.193 0.000 2.045 1273 Q HA -0.220 4.119 4.340 -0.002 0.000 0.206 1273 Q C 2.206 178.184 176.000 -0.037 0.000 0.991 1273 Q CA 2.836 58.588 55.803 -0.085 0.000 0.851 1273 Q CB -0.914 27.801 28.738 -0.039 0.000 0.911 1273 Q HN 0.589 nan 8.270 nan 0.000 0.418 1274 T N 0.572 115.109 114.554 -0.029 0.000 2.759 1274 T HA -0.134 4.215 4.350 -0.002 0.000 0.269 1274 T C 1.586 176.307 174.700 0.035 0.000 1.042 1274 T CA 1.531 63.633 62.100 0.003 0.000 1.140 1274 T CB -0.220 68.649 68.868 0.002 0.000 0.864 1274 T HN 0.232 nan 8.240 nan 0.000 0.455 1275 L N 0.338 121.576 121.223 0.026 0.000 2.313 1275 L HA 0.046 4.385 4.340 -0.002 0.000 0.214 1275 L C 2.487 179.445 176.870 0.146 0.000 1.119 1275 L CA 0.354 55.250 54.840 0.093 0.000 0.809 1275 L CB -0.426 41.667 42.059 0.057 0.000 0.933 1275 L HN 0.099 nan 8.230 nan 0.000 0.449 1276 V N -0.063 119.898 119.914 0.079 0.000 2.358 1276 V HA -0.239 3.880 4.120 -0.002 0.000 0.246 1276 V C 2.343 178.536 176.094 0.164 0.000 1.047 1276 V CA 1.743 64.124 62.300 0.135 0.000 1.035 1276 V CB -0.356 31.499 31.823 0.052 0.000 0.658 1276 V HN 0.472 nan 8.190 nan 0.000 0.452 1277 E N 0.132 120.388 120.200 0.093 0.000 2.051 1277 E HA -0.233 4.116 4.350 -0.002 0.000 0.192 1277 E C 2.244 178.899 176.600 0.091 0.000 0.991 1277 E CA 1.250 57.690 56.400 0.067 0.000 0.799 1277 E CB -0.217 29.502 29.700 0.031 0.000 0.748 1277 E HN 0.565 nan 8.360 nan 0.000 0.449 1278 K N 0.245 120.725 120.400 0.134 0.000 2.103 1278 K HA -0.212 4.107 4.320 -0.002 0.000 0.207 1278 K C 2.183 178.865 176.600 0.137 0.000 1.048 1278 K CA 1.460 57.860 56.287 0.189 0.000 0.930 1278 K CB -0.280 32.387 32.500 0.279 0.000 0.716 1278 K HN 0.216 nan 8.250 nan 0.000 0.444 1279 Y N 1.996 122.321 120.300 0.041 0.000 2.263 1279 Y HA -0.203 4.346 4.550 -0.001 0.000 0.292 1279 Y C 2.439 178.253 175.900 -0.143 0.000 1.130 1279 Y CA 1.550 59.574 58.100 -0.125 0.000 1.179 1279 Y CB -0.387 38.111 38.460 0.063 0.000 0.998 1279 Y HN 0.088 nan 8.280 nan 0.000 0.532 1280 S N -0.722 114.828 115.700 -0.251 0.000 2.383 1280 S HA -0.282 4.187 4.470 -0.002 0.000 0.227 1280 S C 2.139 176.618 174.600 -0.201 0.000 1.026 1280 S CA 1.368 59.375 58.200 -0.321 0.000 0.981 1280 S CB -1.315 61.815 63.200 -0.117 0.000 0.818 1280 S HN 0.772 nan 8.310 nan 0.000 0.472 1281 H N 1.348 120.303 119.070 -0.191 0.000 2.319 1281 H HA -0.197 4.357 4.556 -0.002 0.000 0.297 1281 H C 2.416 177.621 175.328 -0.206 0.000 1.097 1281 H CA 2.170 58.127 56.048 -0.152 0.000 1.285 1281 H CB -0.223 29.481 29.762 -0.096 0.000 1.368 1281 H HN 0.564 nan 8.280 nan 0.000 0.495 1282 Q N 0.791 120.325 119.800 -0.442 0.000 2.124 1282 Q HA -0.136 4.203 4.340 -0.002 0.000 0.202 1282 Q C 1.949 177.739 176.000 -0.349 0.000 0.977 1282 Q CA 1.800 57.283 55.803 -0.532 0.000 0.850 1282 Q CB -0.205 27.951 28.738 -0.970 0.000 0.901 1282 Q HN 0.371 nan 8.270 nan 0.000 0.429 1283 N N -0.504 117.959 118.700 -0.395 0.000 2.188 1283 N HA -0.108 4.631 4.740 -0.002 0.000 0.184 1283 N C 1.592 177.073 175.510 -0.048 0.000 1.018 1283 N CA 1.245 54.173 53.050 -0.203 0.000 0.858 1283 N CB -0.481 37.830 38.487 -0.294 0.000 0.989 1283 N HN 0.276 nan 8.380 nan 0.000 0.426 1284 S N 0.844 116.469 115.700 -0.124 0.000 2.345 1284 S HA -0.059 4.410 4.470 -0.002 0.000 0.220 1284 S C 1.606 176.149 174.600 -0.095 0.000 1.031 1284 S CA 0.986 59.138 58.200 -0.081 0.000 0.996 1284 S CB -0.190 62.969 63.200 -0.069 0.000 0.882 1284 S HN 0.278 nan 8.310 nan 0.000 0.445 1285 N N 0.849 119.426 118.700 -0.204 0.000 2.094 1285 N HA -0.118 4.621 4.740 -0.002 0.000 0.191 1285 N C 1.396 176.872 175.510 -0.056 0.000 1.023 1285 N CA 1.431 54.377 53.050 -0.174 0.000 0.857 1285 N CB -0.781 37.549 38.487 -0.261 0.000 1.013 1285 N HN 0.558 nan 8.380 nan 0.000 0.426 1286 F N 2.390 122.252 119.950 -0.146 0.000 2.102 1286 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 1286 F C 2.074 177.831 175.800 -0.072 0.000 1.105 1286 F CA 1.815 59.757 58.000 -0.097 0.000 1.239 1286 F CB -0.424 38.517 39.000 -0.099 0.000 0.991 1286 F HN 0.068 nan 8.300 nan 0.000 0.474 1287 D N -0.198 120.189 120.400 -0.022 0.000 2.123 1287 D HA -0.269 4.370 4.640 -0.002 0.000 0.196 1287 D C 1.566 177.760 176.300 -0.178 0.000 0.992 1287 D CA 1.879 55.813 54.000 -0.111 0.000 0.833 1287 D CB -1.246 39.561 40.800 0.012 0.000 0.954 1287 D HN 0.343 nan 8.370 nan 0.000 0.455 1288 N N -0.155 118.465 118.700 -0.133 0.000 2.331 1288 N HA -0.070 4.669 4.740 -0.002 0.000 0.180 1288 N C 1.895 177.311 175.510 -0.156 0.000 1.019 1288 N CA 0.521 53.501 53.050 -0.118 0.000 0.881 1288 N CB -0.128 38.310 38.487 -0.081 0.000 0.972 1288 N HN 0.245 nan 8.380 nan 0.000 0.435 1289 L N 1.721 122.816 121.223 -0.213 0.000 1.976 1289 L HA -0.118 4.221 4.340 -0.002 0.000 0.209 1289 L C 2.293 179.009 176.870 -0.257 0.000 1.071 1289 L CA 1.474 56.185 54.840 -0.215 0.000 0.746 1289 L CB -0.982 40.947 42.059 -0.218 0.000 0.890 1289 L HN 0.045 nan 8.230 nan 0.000 0.432 1290 V N -2.998 116.661 119.914 -0.424 0.000 2.720 1290 V HA -0.200 3.919 4.120 -0.002 0.000 0.256 1290 V C 2.448 178.423 176.094 -0.199 0.000 1.082 1290 V CA 1.746 63.842 62.300 -0.341 0.000 1.101 1290 V CB -1.155 30.387 31.823 -0.469 0.000 0.693 1290 V HN 0.481 nan 8.190 nan 0.000 0.479 1291 K N 0.444 120.736 120.400 -0.179 0.000 1.984 1291 K HA -0.016 4.303 4.320 -0.002 0.000 0.209 1291 K C 2.224 178.772 176.600 -0.087 0.000 1.046 1291 K CA 1.623 57.843 56.287 -0.112 0.000 0.934 1291 K CB -0.444 31.998 32.500 -0.097 0.000 0.717 1291 K HN 0.425 nan 8.250 nan 0.000 0.438 1292 V N 1.772 121.634 119.914 -0.087 0.000 2.392 1292 V HA -0.250 3.869 4.120 -0.002 0.000 0.249 1292 V C 2.232 178.289 176.094 -0.061 0.000 1.059 1292 V CA 1.440 63.700 62.300 -0.066 0.000 1.051 1292 V CB -0.356 31.429 31.823 -0.063 0.000 0.658 1292 V HN 0.257 nan 8.190 nan 0.000 0.455 1293 L N 0.681 121.858 121.223 -0.077 0.000 2.093 1293 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 1293 L C 2.740 179.579 176.870 -0.052 0.000 1.085 1293 L CA 2.311 57.114 54.840 -0.063 0.000 0.755 1293 L CB -0.612 41.401 42.059 -0.076 0.000 0.904 1293 L HN 0.553 nan 8.230 nan 0.000 0.435 1294 S N -1.484 114.180 115.700 -0.060 0.000 2.357 1294 S HA -0.069 4.400 4.470 -0.002 0.000 0.221 1294 S C 2.153 176.732 174.600 -0.036 0.000 1.031 1294 S CA 0.781 58.953 58.200 -0.046 0.000 0.982 1294 S CB -1.418 61.751 63.200 -0.052 0.000 0.853 1294 S HN 0.397 nan 8.310 nan 0.000 0.458 1295 G N 1.553 110.330 108.800 -0.038 0.000 2.422 1295 G HA2 0.053 4.012 3.960 -0.002 0.000 0.218 1295 G HA3 0.053 4.012 3.960 -0.002 0.000 0.218 1295 G C 1.704 176.589 174.900 -0.025 0.000 1.146 1295 G CA 0.989 46.072 45.100 -0.029 0.000 0.769 1295 G HN 0.816 nan 8.290 nan 0.000 0.547 1296 A N 1.631 124.434 122.820 -0.028 0.000 1.873 1296 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 1296 A C 2.465 180.038 177.584 -0.019 0.000 1.193 1296 A CA 1.945 53.968 52.037 -0.023 0.000 0.629 1296 A CB -0.605 18.380 19.000 -0.025 0.000 0.826 1296 A HN 0.848 nan 8.150 nan 0.000 0.447 1297 I N -1.197 119.361 120.570 -0.020 0.000 2.208 1297 I HA -0.228 3.941 4.170 -0.002 0.000 0.245 1297 I C 2.417 178.526 176.117 -0.014 0.000 1.097 1297 I CA 2.331 63.621 61.300 -0.016 0.000 1.363 1297 I CB -0.723 37.267 38.000 -0.016 0.000 1.051 1297 I HN 0.378 nan 8.210 nan 0.000 0.413 1298 S N 1.064 116.755 115.700 -0.015 0.000 2.359 1298 S HA -0.274 4.195 4.470 -0.002 0.000 0.222 1298 S C 2.066 176.659 174.600 -0.011 0.000 1.038 1298 S CA 2.473 60.665 58.200 -0.013 0.000 1.051 1298 S CB -1.448 61.743 63.200 -0.015 0.000 0.944 1298 S HN 0.625 nan 8.310 nan 0.000 0.433 1299 T N 2.650 117.197 114.554 -0.013 0.000 2.653 1299 T HA -0.056 4.293 4.350 -0.002 0.000 0.268 1299 T C 1.574 176.268 174.700 -0.009 0.000 1.035 1299 T CA 1.984 64.077 62.100 -0.011 0.000 1.154 1299 T CB -0.559 68.302 68.868 -0.012 0.000 0.862 1299 T HN 0.479 nan 8.240 nan 0.000 0.441 1300 L N 0.251 121.469 121.223 -0.009 0.000 2.591 1300 L HA 0.174 4.513 4.340 -0.002 0.000 0.228 1300 L C 1.476 178.342 176.870 -0.006 0.000 1.133 1300 L CA 0.026 54.861 54.840 -0.007 0.000 0.880 1300 L CB -0.463 41.591 42.059 -0.007 0.000 1.033 1300 L HN 0.094 nan 8.230 nan 0.000 0.450 1301 T N 0.000 114.550 114.554 -0.007 0.000 3.816 1301 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 1301 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 1301 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 1301 T HN 0.000 nan 8.240 nan 0.000 0.658