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 3fq8_1_A DATA FIRST_RESID 1007 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRIMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VITGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL 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 1007 F HA 0.000 nan 4.527 nan 0.000 0.279 1007 F C 0.000 175.811 175.800 0.018 0.000 0.967 1007 F CA 0.000 58.000 58.000 0.000 0.000 1.383 1007 F CB 0.000 39.005 39.000 0.009 0.000 1.145 1008 K N 3.129 123.314 120.400 -0.358 0.000 2.156 1008 K HA 0.648 4.965 4.320 -0.006 0.000 0.271 1008 K C -0.309 176.024 176.600 -0.445 0.000 0.995 1008 K CA 0.030 56.141 56.287 -0.293 0.000 0.890 1008 K CB 1.538 33.947 32.500 -0.153 0.000 1.073 1008 K HN 0.690 nan 8.250 nan 0.000 0.454 1009 T N 0.725 115.120 114.554 -0.265 0.000 3.460 1009 T HA 0.193 4.540 4.350 -0.006 0.000 0.304 1009 T C 1.284 175.941 174.700 -0.073 0.000 0.991 1009 T CA -0.535 61.451 62.100 -0.191 0.000 0.975 1009 T CB -0.234 68.556 68.868 -0.129 0.000 1.196 1009 T HN 0.420 nan 8.240 nan 0.000 0.490 1010 I N 1.724 122.256 120.570 -0.063 0.000 2.163 1010 I HA -0.122 4.044 4.170 -0.006 0.000 0.243 1010 I C 2.417 178.531 176.117 -0.006 0.000 1.085 1010 I CA 1.317 62.604 61.300 -0.022 0.000 1.347 1010 I CB -0.956 37.030 38.000 -0.023 0.000 1.044 1010 I HN 0.295 nan 8.210 nan 0.000 0.408 1011 K N 0.780 121.172 120.400 -0.014 0.000 2.057 1011 K HA -0.060 4.256 4.320 -0.006 0.000 0.207 1011 K C 2.318 178.933 176.600 0.025 0.000 1.049 1011 K CA 1.162 57.452 56.287 0.004 0.000 0.931 1011 K CB -0.507 31.993 32.500 -0.001 0.000 0.714 1011 K HN 0.237 nan 8.250 nan 0.000 0.440 1012 S N 1.686 117.397 115.700 0.018 0.000 2.355 1012 S HA -0.121 4.345 4.470 -0.006 0.000 0.222 1012 S C 1.463 176.111 174.600 0.079 0.000 1.031 1012 S CA 1.369 59.591 58.200 0.037 0.000 0.993 1012 S CB -0.217 62.984 63.200 0.001 0.000 0.859 1012 S HN 0.261 nan 8.310 nan 0.000 0.453 1013 D N 1.069 121.509 120.400 0.067 0.000 2.123 1013 D HA -0.116 4.521 4.640 -0.006 0.000 0.196 1013 D C 1.938 178.309 176.300 0.118 0.000 0.992 1013 D CA 0.947 55.017 54.000 0.116 0.000 0.833 1013 D CB -0.320 40.527 40.800 0.079 0.000 0.954 1013 D HN 0.492 nan 8.370 nan 0.000 0.455 1014 E N 0.066 120.309 120.200 0.071 0.000 2.031 1014 E HA -0.119 4.227 4.350 -0.006 0.000 0.193 1014 E C 2.345 178.978 176.600 0.056 0.000 0.994 1014 E CA 0.572 57.002 56.400 0.050 0.000 0.800 1014 E CB -0.024 29.694 29.700 0.031 0.000 0.752 1014 E HN 0.226 nan 8.360 nan 0.000 0.447 1015 I N 0.310 120.924 120.570 0.074 0.000 2.226 1015 I HA -0.238 3.929 4.170 -0.006 0.000 0.245 1015 I C 2.245 178.429 176.117 0.112 0.000 1.100 1015 I CA 0.688 62.035 61.300 0.078 0.000 1.374 1015 I CB -0.224 37.825 38.000 0.083 0.000 1.057 1015 I HN 0.167 nan 8.210 nan 0.000 0.413 1016 F N 1.880 121.826 119.950 -0.008 0.000 2.146 1016 F HA -0.156 4.367 4.527 -0.006 0.000 0.298 1016 F C 2.460 178.258 175.800 -0.004 0.000 1.096 1016 F CA 1.152 59.145 58.000 -0.012 0.000 1.275 1016 F CB -0.489 38.493 39.000 -0.029 0.000 1.008 1016 F HN -0.006 nan 8.300 nan 0.000 0.480 1017 A N 0.402 123.176 122.820 -0.077 0.000 1.908 1017 A HA -0.084 4.233 4.320 -0.006 0.000 0.218 1017 A C 2.436 179.920 177.584 -0.166 0.000 1.181 1017 A CA 1.967 53.906 52.037 -0.163 0.000 0.627 1017 A CB -1.563 17.416 19.000 -0.034 0.000 0.818 1017 A HN 0.478 nan 8.150 nan 0.000 0.445 1018 A N -0.326 122.441 122.820 -0.090 0.000 1.930 1018 A HA 0.223 4.540 4.320 -0.006 0.000 0.217 1018 A C 2.474 180.001 177.584 -0.095 0.000 1.175 1018 A CA 1.858 53.853 52.037 -0.070 0.000 0.627 1018 A CB -0.920 18.063 19.000 -0.028 0.000 0.815 1018 A HN 1.040 nan 8.150 nan 0.000 0.443 1019 A N -0.468 122.281 122.820 -0.118 0.000 1.902 1019 A HA -0.234 4.082 4.320 -0.006 0.000 0.217 1019 A C 2.044 179.523 177.584 -0.175 0.000 1.181 1019 A CA 1.645 53.615 52.037 -0.111 0.000 0.623 1019 A CB -0.614 18.354 19.000 -0.054 0.000 0.818 1019 A HN 0.639 nan 8.150 nan 0.000 0.443 1020 Q N -0.541 119.065 119.800 -0.324 0.000 2.368 1020 Q HA -0.143 4.193 4.340 -0.006 0.000 0.210 1020 Q C 1.506 177.415 176.000 -0.152 0.000 0.982 1020 Q CA 1.425 57.056 55.803 -0.288 0.000 0.884 1020 Q CB -0.120 28.374 28.738 -0.405 0.000 0.933 1020 Q HN 0.664 nan 8.270 nan 0.000 0.460 1021 K N -0.455 119.872 120.400 -0.121 0.000 2.379 1021 K HA 0.088 4.405 4.320 -0.006 0.000 0.194 1021 K C 1.442 178.011 176.600 -0.052 0.000 1.031 1021 K CA 0.303 56.545 56.287 -0.074 0.000 1.037 1021 K CB 0.545 33.008 32.500 -0.062 0.000 0.824 1021 K HN 0.147 nan 8.250 nan 0.000 0.516 1022 L N -0.371 120.820 121.223 -0.054 0.000 2.500 1022 L HA 0.265 4.602 4.340 -0.006 0.000 0.219 1022 L C 0.690 177.544 176.870 -0.026 0.000 1.057 1022 L CA 0.171 54.991 54.840 -0.033 0.000 0.854 1022 L CB 0.272 42.316 42.059 -0.025 0.000 1.078 1022 L HN 0.050 nan 8.230 nan 0.000 0.480 1023 M N -0.606 118.974 119.600 -0.033 0.000 2.572 1023 M HA 0.422 4.899 4.480 -0.006 0.000 0.299 1023 M C -2.595 173.691 176.300 -0.024 0.000 1.205 1023 M CA -1.858 53.431 55.300 -0.019 0.000 0.876 1023 M CB 1.985 34.583 32.600 -0.003 0.000 1.728 1023 M HN -0.385 nan 8.290 nan 0.000 0.458 1024 P HA 0.080 nan 4.420 nan 0.000 0.260 1024 P C 0.757 178.061 177.300 0.007 0.000 1.207 1024 P CA 1.146 64.242 63.100 -0.007 0.000 0.780 1024 P CB 0.118 31.815 31.700 -0.004 0.000 0.789 1025 G N 3.621 112.420 108.800 -0.001 0.000 2.168 1025 G HA2 -0.211 3.745 3.960 -0.006 0.000 0.263 1025 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.263 1025 G C 0.907 175.827 174.900 0.034 0.000 0.977 1025 G CA 0.438 45.560 45.100 0.037 0.000 0.659 1025 G HN 0.996 nan 8.290 nan 0.000 0.533 1026 G N -2.345 106.429 108.800 -0.044 0.000 2.179 1026 G HA2 0.126 4.082 3.960 -0.006 0.000 0.257 1026 G HA3 0.126 4.082 3.960 -0.006 0.000 0.257 1026 G C 0.798 175.780 174.900 0.136 0.000 1.010 1026 G CA 1.594 46.651 45.100 -0.073 0.000 0.736 1026 G HN 2.404 nan 8.290 nan 0.000 0.513 1027 V N -4.750 115.239 119.914 0.126 0.000 3.130 1027 V HA 0.902 5.018 4.120 -0.006 0.000 0.310 1027 V C 0.767 176.897 176.094 0.059 0.000 1.158 1027 V CA 0.243 62.618 62.300 0.126 0.000 1.029 1027 V CB 1.558 33.471 31.823 0.150 0.000 1.057 1027 V HN 0.224 nan 8.190 nan 0.000 0.436 1028 S N 0.549 116.275 115.700 0.043 0.000 2.524 1028 S HA 0.296 4.763 4.470 -0.006 0.000 0.216 1028 S C 0.663 175.258 174.600 -0.008 0.000 0.987 1028 S CA 0.806 59.017 58.200 0.017 0.000 0.909 1028 S CB 0.093 63.306 63.200 0.022 0.000 0.781 1028 S HN 0.982 nan 8.310 nan 0.000 0.521 1029 S N 0.217 115.909 115.700 -0.014 0.000 2.566 1029 S HA 0.413 4.879 4.470 -0.006 0.000 0.273 1029 S C -2.434 172.134 174.600 -0.055 0.000 1.157 1029 S CA -1.371 56.791 58.200 -0.064 0.000 0.938 1029 S CB 1.394 64.523 63.200 -0.118 0.000 1.087 1029 S HN -0.182 nan 8.310 nan 0.000 0.474 1030 P HA -0.172 nan 4.420 nan 0.000 0.217 1030 P C 1.562 178.842 177.300 -0.033 0.000 1.158 1030 P CA 1.087 64.162 63.100 -0.043 0.000 0.887 1030 P CB 0.083 31.737 31.700 -0.076 0.000 0.792 1031 V N 0.230 120.072 119.914 -0.120 0.000 2.469 1031 V HA -0.276 3.841 4.120 -0.006 0.000 0.251 1031 V C 2.009 178.155 176.094 0.086 0.000 1.064 1031 V CA 1.839 64.083 62.300 -0.092 0.000 1.066 1031 V CB -0.835 30.780 31.823 -0.346 0.000 0.667 1031 V HN 0.075 nan 8.190 nan 0.000 0.461 1032 R N 0.234 120.795 120.500 0.101 0.000 2.377 1032 R HA 0.008 4.344 4.340 -0.006 0.000 0.207 1032 R C 2.226 178.683 176.300 0.262 0.000 1.075 1032 R CA 0.879 57.124 56.100 0.242 0.000 1.035 1032 R CB -0.567 29.822 30.300 0.149 0.000 0.857 1032 R HN 0.633 nan 8.270 nan 0.000 0.475 1033 A N 0.786 123.734 122.820 0.212 0.000 1.972 1033 A HA -0.146 4.170 4.320 -0.006 0.000 0.219 1033 A C 0.771 178.536 177.584 0.302 0.000 1.169 1033 A CA 1.058 53.223 52.037 0.214 0.000 0.635 1033 A CB -0.335 18.764 19.000 0.166 0.000 0.810 1033 A HN 0.422 nan 8.150 nan 0.000 0.446 1034 F N -2.159 117.783 119.950 -0.014 0.000 2.871 1034 F HA -0.290 4.233 4.527 -0.005 0.000 0.326 1034 F C 1.409 177.212 175.800 0.005 0.000 0.675 1034 F CA 1.215 59.194 58.000 -0.035 0.000 1.188 1034 F CB -1.725 37.226 39.000 -0.082 0.000 1.567 1034 F HN 0.297 nan 8.300 nan 0.000 0.325 1035 K N -0.085 120.418 120.400 0.171 0.000 2.209 1035 K HA -0.123 4.194 4.320 -0.006 0.000 0.204 1035 K C 1.881 178.537 176.600 0.094 0.000 1.048 1035 K CA 1.628 57.995 56.287 0.133 0.000 0.940 1035 K CB -0.233 32.338 32.500 0.119 0.000 0.729 1035 K HN 0.489 nan 8.250 nan 0.000 0.451 1036 S N -0.865 114.872 115.700 0.062 0.000 2.540 1036 S HA 0.081 4.547 4.470 -0.006 0.000 0.218 1036 S C 1.296 175.920 174.600 0.041 0.000 0.977 1036 S CA -0.357 57.883 58.200 0.065 0.000 0.918 1036 S CB 0.867 64.117 63.200 0.083 0.000 0.806 1036 S HN -0.000 nan 8.310 nan 0.000 0.496 1037 V N 0.506 120.394 119.914 -0.044 0.000 3.528 1037 V HA 0.526 4.643 4.120 -0.006 0.000 0.294 1037 V C 1.483 177.572 176.094 -0.009 0.000 1.404 1037 V CA 0.813 63.027 62.300 -0.144 0.000 1.065 1037 V CB 0.222 31.674 31.823 -0.618 0.000 0.904 1037 V HN 0.746 nan 8.190 nan 0.000 0.435 1038 G N -0.603 108.238 108.800 0.069 0.000 2.699 1038 G HA2 0.206 4.163 3.960 -0.006 0.000 0.198 1038 G HA3 0.206 4.163 3.960 -0.006 0.000 0.198 1038 G C 0.815 175.809 174.900 0.156 0.000 1.033 1038 G CA 0.048 45.216 45.100 0.113 0.000 0.728 1038 G HN 1.754 nan 8.290 nan 0.000 0.484 1039 G N -0.922 108.015 108.800 0.229 0.000 2.570 1039 G HA2 0.500 4.456 3.960 -0.006 0.000 0.686 1039 G HA3 0.500 4.456 3.960 -0.006 0.000 0.686 1039 G C -0.190 174.829 174.900 0.199 0.000 1.257 1039 G CA 0.557 45.790 45.100 0.223 0.000 0.846 1039 G HN 1.786 nan 8.290 nan 0.000 0.627 1040 Q N -1.405 118.394 119.800 -0.002 0.000 2.265 1040 Q HA -0.069 4.267 4.340 -0.006 0.000 0.279 1040 Q C -2.027 173.653 176.000 -0.533 0.000 1.253 1040 Q CA 0.970 56.694 55.803 -0.131 0.000 0.610 1040 Q CB -1.392 27.389 28.738 0.071 0.000 1.010 1040 Q HN 0.856 nan 8.270 nan 0.000 0.352 1041 P HA 0.207 nan 4.420 nan 0.000 0.272 1041 P C 0.031 176.800 177.300 -0.885 0.000 1.223 1041 P CA -0.348 61.617 63.100 -1.892 0.000 0.784 1041 P CB 0.679 31.541 31.700 -1.396 0.000 0.923 1042 I N 0.275 120.509 120.570 -0.560 0.000 2.353 1042 I HA 0.330 4.496 4.170 -0.006 0.000 0.293 1042 I C -0.664 175.466 176.117 0.022 0.000 0.992 1042 I CA -1.066 60.180 61.300 -0.091 0.000 1.268 1042 I CB 1.501 39.590 38.000 0.148 0.000 1.387 1042 I HN -0.064 nan 8.210 nan 0.000 0.478 1043 V N 7.714 127.669 119.914 0.068 0.000 2.455 1043 V HA 0.251 4.367 4.120 -0.006 0.000 0.273 1043 V C 0.150 176.416 176.094 0.286 0.000 1.045 1043 V CA -0.024 62.355 62.300 0.131 0.000 0.976 1043 V CB 0.434 32.313 31.823 0.094 0.000 0.993 1043 V HN 0.575 nan 8.190 nan 0.000 0.475 1044 F N 2.634 122.562 119.950 -0.037 0.000 2.389 1044 F HA 0.189 4.712 4.527 -0.006 0.000 0.337 1044 F C 1.186 176.994 175.800 0.013 0.000 1.112 1044 F CA -0.156 57.825 58.000 -0.032 0.000 1.192 1044 F CB 1.536 40.490 39.000 -0.075 0.000 1.185 1044 F HN 0.609 nan 8.300 nan 0.000 0.552 1045 D N 0.424 120.916 120.400 0.154 0.000 2.597 1045 D HA 0.116 4.752 4.640 -0.006 0.000 0.261 1045 D C -0.198 176.157 176.300 0.092 0.000 1.023 1045 D CA 0.202 54.264 54.000 0.103 0.000 0.927 1045 D CB 0.562 41.401 40.800 0.064 0.000 1.168 1045 D HN 0.559 nan 8.370 nan 0.000 0.491 1046 R N -0.687 119.876 120.500 0.104 0.000 2.712 1046 R HA 0.570 4.907 4.340 -0.006 0.000 0.272 1046 R C -1.654 174.748 176.300 0.170 0.000 1.032 1046 R CA -1.021 55.145 56.100 0.110 0.000 0.874 1046 R CB 1.367 31.692 30.300 0.041 0.000 1.256 1046 R HN -0.056 nan 8.270 nan 0.000 0.468 1047 V N -1.938 118.045 119.914 0.116 0.000 2.925 1047 V HA 0.841 4.957 4.120 -0.006 0.000 0.311 1047 V C -0.934 175.277 176.094 0.195 0.000 1.104 1047 V CA -0.852 61.448 62.300 0.001 0.000 0.954 1047 V CB 2.080 33.517 31.823 -0.644 0.000 1.022 1047 V HN 0.987 nan 8.190 nan 0.000 0.427 1048 K N 2.042 122.653 120.400 0.352 0.000 2.570 1048 K HA 0.421 4.738 4.320 -0.006 0.000 0.256 1048 K C -0.693 176.062 176.600 0.258 0.000 0.939 1048 K CA -0.175 56.325 56.287 0.355 0.000 0.833 1048 K CB 1.867 34.610 32.500 0.406 0.000 1.318 1048 K HN 1.004 nan 8.250 nan 0.000 0.433 1049 D N 1.150 121.628 120.400 0.130 0.000 3.771 1049 D HA -0.298 4.338 4.640 -0.006 0.000 0.145 1049 D C 0.493 176.645 176.300 -0.245 0.000 0.892 1049 D CA 2.215 56.172 54.000 -0.071 0.000 1.080 1049 D CB -1.006 39.724 40.800 -0.116 0.000 0.498 1049 D HN 0.660 nan 8.370 nan 0.000 0.499 1050 A N 0.192 122.589 122.820 -0.705 0.000 2.379 1050 A HA 0.331 4.647 4.320 -0.006 0.000 0.236 1050 A C -0.063 176.983 177.584 -0.896 0.000 1.272 1050 A CA 0.218 51.637 52.037 -1.029 0.000 0.886 1050 A CB -0.207 17.827 19.000 -1.611 0.000 0.962 1050 A HN 0.353 nan 8.150 nan 0.000 0.504 1051 Y N -1.666 118.490 120.300 -0.239 0.000 2.587 1051 Y HA 0.697 5.243 4.550 -0.006 0.000 0.337 1051 Y C 0.350 175.908 175.900 -0.570 0.000 1.065 1051 Y CA -0.952 56.844 58.100 -0.507 0.000 1.126 1051 Y CB 1.710 39.622 38.460 -0.912 0.000 1.279 1051 Y HN 0.099 nan 8.280 nan 0.000 0.489 1052 A N 1.259 123.723 122.820 -0.594 0.000 2.435 1052 A HA 0.726 5.043 4.320 -0.006 0.000 0.304 1052 A C -1.940 175.203 177.584 -0.734 0.000 1.064 1052 A CA -0.647 50.989 52.037 -0.669 0.000 0.727 1052 A CB 1.337 19.759 19.000 -0.964 0.000 1.284 1052 A HN 0.744 nan 8.150 nan 0.000 0.415 1053 W N 1.311 122.391 121.300 -0.367 0.000 2.739 1053 W HA 0.288 4.947 4.660 -0.002 0.000 0.331 1053 W C -0.868 175.514 176.519 -0.228 0.000 1.049 1053 W CA -0.575 56.646 57.345 -0.207 0.000 1.234 1053 W CB 1.910 31.282 29.460 -0.146 0.000 1.404 1053 W HN 0.730 nan 8.180 nan 0.000 0.477 1054 D N 0.637 121.109 120.400 0.120 0.000 2.361 1054 D HA 0.035 4.671 4.640 -0.006 0.000 0.239 1054 D C 1.339 177.691 176.300 0.087 0.000 1.200 1054 D CA 0.210 54.277 54.000 0.112 0.000 0.915 1054 D CB 1.868 42.764 40.800 0.159 0.000 1.170 1054 D HN 0.183 nan 8.370 nan 0.000 0.444 1055 V N -1.365 118.592 119.914 0.072 0.000 3.217 1055 V HA -0.002 4.115 4.120 -0.006 0.000 0.264 1055 V C 1.038 177.143 176.094 0.018 0.000 1.135 1055 V CA 1.008 63.336 62.300 0.047 0.000 1.142 1055 V CB -0.104 31.748 31.823 0.049 0.000 0.754 1055 V HN 0.341 nan 8.190 nan 0.000 0.484 1056 D N 0.774 121.178 120.400 0.007 0.000 2.339 1056 D HA 0.250 4.886 4.640 -0.006 0.000 0.217 1056 D C 1.839 178.121 176.300 -0.031 0.000 1.050 1056 D CA 1.095 55.074 54.000 -0.035 0.000 0.856 1056 D CB 1.003 41.745 40.800 -0.096 0.000 0.922 1056 D HN 0.688 nan 8.370 nan 0.000 0.518 1057 G N 1.442 110.249 108.800 0.012 0.000 2.194 1057 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.236 1057 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.236 1057 G C 0.174 175.105 174.900 0.052 0.000 0.987 1057 G CA -0.330 44.790 45.100 0.033 0.000 0.635 1057 G HN 0.307 nan 8.290 nan 0.000 0.520 1058 N N 0.797 119.488 118.700 -0.015 0.000 2.492 1058 N HA 0.425 5.162 4.740 -0.006 0.000 0.262 1058 N C 0.386 175.751 175.510 -0.242 0.000 1.202 1058 N CA 0.007 52.970 53.050 -0.144 0.000 0.926 1058 N CB 0.516 38.886 38.487 -0.195 0.000 1.078 1058 N HN 0.304 nan 8.380 nan 0.000 0.454 1059 R N 2.305 122.555 120.500 -0.417 0.000 2.604 1059 R HA 0.380 4.717 4.340 -0.006 0.000 0.287 1059 R C -1.540 174.312 176.300 -0.748 0.000 0.970 1059 R CA -0.347 55.367 56.100 -0.643 0.000 0.946 1059 R CB 0.634 30.626 30.300 -0.514 0.000 1.127 1059 R HN 0.574 nan 8.270 nan 0.000 0.473 1060 Y N 2.304 122.320 120.300 -0.473 0.000 2.524 1060 Y HA 0.448 4.994 4.550 -0.006 0.000 0.347 1060 Y C 0.192 176.000 175.900 -0.154 0.000 1.005 1060 Y CA -0.863 57.104 58.100 -0.222 0.000 1.025 1060 Y CB 1.906 40.301 38.460 -0.109 0.000 1.275 1060 Y HN 0.348 nan 8.280 nan 0.000 0.460 1061 I N 2.720 123.377 120.570 0.146 0.000 2.301 1061 I HA 0.114 4.280 4.170 -0.006 0.000 0.292 1061 I C -0.445 175.666 176.117 -0.010 0.000 1.046 1061 I CA -0.221 61.115 61.300 0.059 0.000 1.282 1061 I CB 0.502 38.566 38.000 0.107 0.000 1.409 1061 I HN 0.545 nan 8.210 nan 0.000 0.484 1062 D N 6.205 126.535 120.400 -0.117 0.000 2.295 1062 D HA 0.103 4.740 4.640 -0.006 0.000 0.248 1062 D C -0.346 175.896 176.300 -0.096 0.000 1.154 1062 D CA 0.101 54.125 54.000 0.039 0.000 0.857 1062 D CB 0.687 41.582 40.800 0.158 0.000 1.117 1062 D HN 0.310 nan 8.370 nan 0.000 0.468 1063 Y N 2.383 122.855 120.300 0.286 0.000 2.681 1063 Y HA 0.170 4.717 4.550 -0.005 0.000 0.267 1063 Y C 1.410 177.377 175.900 0.111 0.000 1.166 1063 Y CA -0.228 57.998 58.100 0.211 0.000 1.209 1063 Y CB 0.798 39.382 38.460 0.207 0.000 1.161 1063 Y HN 0.278 nan 8.280 nan 0.000 0.534 1064 V N -1.450 118.583 119.914 0.198 0.000 3.212 1064 V HA 0.201 4.317 4.120 -0.006 0.000 0.244 1064 V C 1.636 177.784 176.094 0.090 0.000 1.151 1064 V CA 0.805 63.112 62.300 0.012 0.000 1.119 1064 V CB -0.130 31.563 31.823 -0.217 0.000 0.838 1064 V HN 0.465 nan 8.190 nan 0.000 0.470 1065 G N 1.447 110.318 108.800 0.118 0.000 2.395 1065 G HA2 -0.374 3.583 3.960 -0.006 0.000 0.300 1065 G HA3 -0.374 3.583 3.960 -0.006 0.000 0.300 1065 G C 0.602 175.542 174.900 0.067 0.000 0.998 1065 G CA 1.391 46.495 45.100 0.006 0.000 1.046 1065 G HN 0.872 nan 8.290 nan 0.000 0.513 1066 T N -2.036 112.616 114.554 0.162 0.000 3.935 1066 T HA -0.301 4.046 4.350 -0.006 0.000 0.346 1066 T C 1.049 175.920 174.700 0.285 0.000 0.758 1066 T CA 2.180 64.401 62.100 0.201 0.000 1.874 1066 T CB -1.748 67.286 68.868 0.278 0.000 1.875 1066 T HN 2.100 nan 8.240 nan 0.000 0.802 1067 W N -2.878 118.521 121.300 0.166 0.000 3.910 1067 W HA -0.103 4.553 4.660 -0.006 0.000 0.355 1067 W C 1.286 177.685 176.519 -0.199 0.000 1.359 1067 W CA 0.827 58.262 57.345 0.151 0.000 0.732 1067 W CB -1.947 27.603 29.460 0.150 0.000 2.472 1067 W HN 1.327 nan 8.180 nan 0.000 1.296 1068 G N -3.967 104.591 108.800 -0.403 0.000 2.491 1068 G HA2 -0.270 3.687 3.960 -0.006 0.000 0.203 1068 G HA3 -0.270 3.687 3.960 -0.006 0.000 0.203 1068 G C -0.521 174.214 174.900 -0.275 0.000 1.052 1068 G CA 0.016 44.700 45.100 -0.692 0.000 0.675 1068 G HN 0.199 nan 8.290 nan 0.000 0.504 1069 P HA 0.113 nan 4.420 nan 0.000 0.216 1069 P C 1.543 178.818 177.300 -0.042 0.000 1.150 1069 P CA 2.227 65.309 63.100 -0.031 0.000 0.843 1069 P CB -0.116 31.604 31.700 0.034 0.000 0.787 1070 A N -0.861 121.921 122.820 -0.063 0.000 2.604 1070 A HA 0.045 4.361 4.320 -0.006 0.000 0.248 1070 A C 1.576 179.096 177.584 -0.106 0.000 1.466 1070 A CA -0.055 51.916 52.037 -0.109 0.000 1.222 1070 A CB -1.970 16.847 19.000 -0.304 0.000 0.945 1070 A HN 0.196 nan 8.150 nan 0.000 0.600 1071 I N -1.404 119.130 120.570 -0.060 0.000 2.493 1071 I HA -0.212 3.954 4.170 -0.006 0.000 0.254 1071 I C 1.346 177.461 176.117 -0.003 0.000 1.160 1071 I CA 1.293 62.579 61.300 -0.023 0.000 1.445 1071 I CB 0.125 38.128 38.000 0.006 0.000 1.086 1071 I HN 0.476 nan 8.210 nan 0.000 0.433 1072 C N 1.990 121.288 119.300 -0.004 0.000 2.673 1072 C HA 0.470 4.927 4.460 -0.006 0.000 0.274 1072 C C 1.027 176.083 174.990 0.110 0.000 1.276 1072 C CA 0.370 59.412 59.018 0.040 0.000 1.701 1072 C CB -1.866 25.859 27.740 -0.025 0.000 1.836 1072 C HN 0.773 nan 8.230 nan 0.000 0.596 1073 G N -0.183 108.627 108.800 0.017 0.000 2.629 1073 G HA2 -0.083 3.874 3.960 -0.006 0.000 0.686 1073 G HA3 -0.083 3.874 3.960 -0.006 0.000 0.686 1073 G C -0.923 173.969 174.900 -0.013 0.000 1.232 1073 G CA -0.917 44.162 45.100 -0.035 0.000 0.803 1073 G HN 0.574 nan 8.290 nan 0.000 0.638 1074 H N 0.279 119.368 119.070 0.032 0.000 2.707 1074 H HA 0.460 5.012 4.556 -0.006 0.000 0.359 1074 H C 1.338 176.711 175.328 0.074 0.000 1.113 1074 H CA 1.020 57.105 56.048 0.061 0.000 1.422 1074 H CB 1.149 30.950 29.762 0.065 0.000 1.443 1074 H HN 2.076 nan 8.280 nan 0.000 0.591 1075 A N 2.291 125.248 122.820 0.229 0.000 2.462 1075 A HA -0.263 4.054 4.320 -0.006 0.000 0.294 1075 A C 0.323 177.985 177.584 0.130 0.000 1.461 1075 A CA 0.614 52.742 52.037 0.151 0.000 0.765 1075 A CB -2.126 16.947 19.000 0.121 0.000 1.071 1075 A HN 0.818 nan 8.150 nan 0.000 0.401 1076 H N 1.485 120.584 119.070 0.049 0.000 3.070 1076 H HA 0.087 4.640 4.556 -0.006 0.000 0.313 1076 H C -0.708 174.631 175.328 0.018 0.000 0.997 1076 H CA -0.306 55.756 56.048 0.023 0.000 1.438 1076 H CB 0.901 30.666 29.762 0.006 0.000 1.455 1076 H HN 0.344 nan 8.280 nan 0.000 0.575 1077 P HA -0.198 nan 4.420 nan 0.000 0.216 1077 P C 0.899 178.285 177.300 0.144 0.000 1.153 1077 P CA 1.467 64.587 63.100 0.033 0.000 0.858 1077 P CB 0.329 31.992 31.700 -0.061 0.000 0.789 1078 E N -0.527 119.875 120.200 0.336 0.000 2.150 1078 E HA -0.069 4.278 4.350 -0.006 0.000 0.193 1078 E C 2.136 178.798 176.600 0.104 0.000 0.985 1078 E CA 0.714 57.231 56.400 0.195 0.000 0.814 1078 E CB -0.311 29.492 29.700 0.172 0.000 0.752 1078 E HN 0.097 nan 8.360 nan 0.000 0.466 1079 V N 1.579 121.568 119.914 0.125 0.000 2.379 1079 V HA -0.218 3.898 4.120 -0.006 0.000 0.245 1079 V C 2.208 178.329 176.094 0.046 0.000 1.044 1079 V CA 1.045 63.370 62.300 0.042 0.000 1.036 1079 V CB -0.273 31.572 31.823 0.038 0.000 0.664 1079 V HN 0.271 nan 8.190 nan 0.000 0.453 1080 I N 0.462 121.074 120.570 0.070 0.000 2.163 1080 I HA -0.213 3.953 4.170 -0.006 0.000 0.243 1080 I C 2.615 178.750 176.117 0.030 0.000 1.085 1080 I CA 1.897 63.224 61.300 0.046 0.000 1.347 1080 I CB -1.178 36.850 38.000 0.046 0.000 1.044 1080 I HN 0.425 nan 8.210 nan 0.000 0.408 1081 E N 1.567 121.789 120.200 0.036 0.000 2.077 1081 E HA -0.175 4.171 4.350 -0.006 0.000 0.193 1081 E C 2.188 178.797 176.600 0.016 0.000 0.989 1081 E CA 1.857 58.271 56.400 0.024 0.000 0.800 1081 E CB -0.239 29.479 29.700 0.029 0.000 0.746 1081 E HN 0.379 nan 8.360 nan 0.000 0.452 1082 A N 0.439 123.267 122.820 0.014 0.000 1.902 1082 A HA -0.127 4.190 4.320 -0.006 0.000 0.217 1082 A C 2.376 179.958 177.584 -0.005 0.000 1.181 1082 A CA 1.507 53.545 52.037 0.001 0.000 0.623 1082 A CB -0.736 18.259 19.000 -0.008 0.000 0.818 1082 A HN 0.355 nan 8.150 nan 0.000 0.443 1083 L N -0.735 120.486 121.223 -0.004 0.000 2.056 1083 L HA -0.182 4.155 4.340 -0.006 0.000 0.207 1083 L C 2.600 179.467 176.870 -0.006 0.000 1.078 1083 L CA 1.555 56.388 54.840 -0.011 0.000 0.749 1083 L CB -0.408 41.647 42.059 -0.007 0.000 0.901 1083 L HN 0.354 nan 8.230 nan 0.000 0.433 1084 K N -0.360 120.041 120.400 0.002 0.000 2.063 1084 K HA -0.152 4.165 4.320 -0.006 0.000 0.208 1084 K C 2.038 178.641 176.600 0.005 0.000 1.048 1084 K CA 1.309 57.598 56.287 0.003 0.000 0.928 1084 K CB -0.330 32.173 32.500 0.006 0.000 0.713 1084 K HN 0.125 nan 8.250 nan 0.000 0.442 1085 V N 1.466 121.384 119.914 0.006 0.000 2.295 1085 V HA -0.252 3.865 4.120 -0.006 0.000 0.246 1085 V C 2.419 178.520 176.094 0.011 0.000 1.049 1085 V CA 2.049 64.355 62.300 0.009 0.000 1.024 1085 V CB -0.685 31.144 31.823 0.010 0.000 0.648 1085 V HN 0.361 nan 8.190 nan 0.000 0.447 1086 A N 0.995 123.818 122.820 0.004 0.000 1.902 1086 A HA -0.256 4.060 4.320 -0.006 0.000 0.217 1086 A C 2.263 179.847 177.584 -0.001 0.000 1.181 1086 A CA 2.311 54.349 52.037 0.001 0.000 0.623 1086 A CB -0.564 18.422 19.000 -0.023 0.000 0.818 1086 A HN 0.685 nan 8.150 nan 0.000 0.443 1087 M N -1.586 118.008 119.600 -0.010 0.000 2.446 1087 M HA -0.048 4.428 4.480 -0.006 0.000 0.263 1087 M C 1.090 177.398 176.300 0.013 0.000 1.066 1087 M CA 1.690 56.983 55.300 -0.011 0.000 1.087 1087 M CB -0.551 32.041 32.600 -0.014 0.000 1.406 1087 M HN 0.144 nan 8.290 nan 0.000 0.459 1088 E N 2.202 122.415 120.200 0.021 0.000 2.338 1088 E HA -0.078 4.268 4.350 -0.006 0.000 0.197 1088 E C 1.211 177.842 176.600 0.052 0.000 1.007 1088 E CA 1.022 57.440 56.400 0.030 0.000 0.849 1088 E CB -0.192 29.523 29.700 0.025 0.000 0.774 1088 E HN 0.707 nan 8.360 nan 0.000 0.506 1089 K N -0.009 120.436 120.400 0.075 0.000 2.417 1089 K HA 0.239 4.556 4.320 -0.006 0.000 0.196 1089 K C 0.417 177.150 176.600 0.222 0.000 1.023 1089 K CA 0.371 56.741 56.287 0.138 0.000 1.122 1089 K CB 0.863 33.469 32.500 0.178 0.000 0.850 1089 K HN 0.084 nan 8.250 nan 0.000 0.521 1090 G N 0.912 109.787 108.800 0.125 0.000 2.674 1090 G HA2 -0.210 3.746 3.960 -0.006 0.000 0.686 1090 G HA3 -0.210 3.746 3.960 -0.006 0.000 0.686 1090 G C 0.402 175.273 174.900 -0.049 0.000 1.195 1090 G CA -0.298 44.870 45.100 0.113 0.000 0.776 1090 G HN 0.077 nan 8.290 nan 0.000 0.654 1091 T N -2.383 112.124 114.554 -0.078 0.000 3.054 1091 T HA 0.563 4.909 4.350 -0.006 0.000 0.259 1091 T C 1.113 175.659 174.700 -0.257 0.000 1.092 1091 T CA 1.398 63.406 62.100 -0.152 0.000 1.121 1091 T CB 0.384 69.205 68.868 -0.079 0.000 0.912 1091 T HN 1.857 nan 8.240 nan 0.000 0.489 1092 S N -0.796 114.763 115.700 -0.235 0.000 2.543 1092 S HA 0.612 5.078 4.470 -0.006 0.000 0.271 1092 S C -0.872 173.696 174.600 -0.055 0.000 1.148 1092 S CA -0.809 57.251 58.200 -0.235 0.000 0.914 1092 S CB 0.847 63.996 63.200 -0.085 0.000 1.096 1092 S HN 0.062 nan 8.310 nan 0.000 0.471 1093 F N 2.404 122.354 119.950 0.000 0.000 2.419 1093 F HA 0.426 4.949 4.527 -0.007 0.000 0.283 1093 F C 2.232 178.038 175.800 0.009 0.000 1.044 1093 F CA 0.505 58.507 58.000 0.003 0.000 1.376 1093 F CB -0.762 38.239 39.000 0.001 0.000 1.131 1093 F HN 0.933 nan 8.300 nan 0.000 0.585 1094 G N 0.553 109.473 108.800 0.200 0.000 2.136 1094 G HA2 0.080 4.036 3.960 -0.006 0.000 0.242 1094 G HA3 0.080 4.036 3.960 -0.006 0.000 0.242 1094 G C 0.097 175.069 174.900 0.120 0.000 0.989 1094 G CA 0.217 45.390 45.100 0.122 0.000 0.682 1094 G HN 0.813 nan 8.290 nan 0.000 0.522 1095 A N -0.976 121.941 122.820 0.162 0.000 2.593 1095 A HA 0.922 5.239 4.320 -0.006 0.000 0.290 1095 A C -2.790 174.879 177.584 0.141 0.000 1.126 1095 A CA -1.024 51.080 52.037 0.113 0.000 0.695 1095 A CB 0.944 19.982 19.000 0.064 0.000 1.290 1095 A HN 0.155 nan 8.150 nan 0.000 0.414 1096 P HA 0.427 nan 4.420 nan 0.000 0.269 1096 P C -0.436 176.936 177.300 0.119 0.000 1.209 1096 P CA -0.044 63.114 63.100 0.097 0.000 0.776 1096 P CB 0.241 31.977 31.700 0.060 0.000 0.876 1097 C N -0.470 118.916 119.300 0.144 0.000 3.090 1097 C HA 0.806 5.263 4.460 -0.006 0.000 0.305 1097 C C 1.609 176.661 174.990 0.104 0.000 1.292 1097 C CA -0.145 58.969 59.018 0.162 0.000 1.482 1097 C CB 1.045 29.010 27.740 0.375 0.000 1.897 1097 C HN 0.641 nan 8.230 nan 0.000 0.469 1098 A N 0.985 123.854 122.820 0.082 0.000 1.940 1098 A HA -0.048 4.268 4.320 -0.006 0.000 0.219 1098 A C 1.940 179.555 177.584 0.052 0.000 1.176 1098 A CA 1.957 54.028 52.037 0.057 0.000 0.631 1098 A CB -0.752 18.275 19.000 0.044 0.000 0.814 1098 A HN 0.962 nan 8.150 nan 0.000 0.446 1099 L N -0.829 120.425 121.223 0.051 0.000 2.079 1099 L HA -0.257 4.079 4.340 -0.006 0.000 0.210 1099 L C 2.551 179.413 176.870 -0.014 0.000 1.081 1099 L CA 1.786 56.631 54.840 0.008 0.000 0.752 1099 L CB -0.623 41.425 42.059 -0.018 0.000 0.896 1099 L HN 0.494 nan 8.230 nan 0.000 0.433 1100 E N -0.068 120.138 120.200 0.010 0.000 2.077 1100 E HA -0.207 4.140 4.350 -0.006 0.000 0.193 1100 E C 1.920 178.609 176.600 0.148 0.000 0.989 1100 E CA 1.286 57.713 56.400 0.045 0.000 0.800 1100 E CB -0.074 29.687 29.700 0.102 0.000 0.746 1100 E HN 0.457 nan 8.360 nan 0.000 0.452 1101 N N 0.151 118.913 118.700 0.103 0.000 2.084 1101 N HA -0.139 4.597 4.740 -0.006 0.000 0.190 1101 N C 1.819 177.384 175.510 0.093 0.000 1.030 1101 N CA 0.934 54.041 53.050 0.095 0.000 0.849 1101 N CB -0.391 38.134 38.487 0.063 0.000 1.012 1101 N HN -0.024 nan 8.380 nan 0.000 0.423 1102 V N 1.170 121.125 119.914 0.068 0.000 2.255 1102 V HA -0.180 3.936 4.120 -0.006 0.000 0.247 1102 V C 2.342 178.484 176.094 0.080 0.000 1.051 1102 V CA 1.305 63.640 62.300 0.058 0.000 1.018 1102 V CB -0.587 31.255 31.823 0.031 0.000 0.641 1102 V HN 0.329 nan 8.190 nan 0.000 0.445 1103 L N -0.333 120.936 121.223 0.077 0.000 2.083 1103 L HA -0.161 4.176 4.340 -0.006 0.000 0.209 1103 L C 2.645 179.708 176.870 0.322 0.000 1.083 1103 L CA 1.644 56.559 54.840 0.124 0.000 0.752 1103 L CB -0.601 41.419 42.059 -0.065 0.000 0.899 1103 L HN 0.410 nan 8.230 nan 0.000 0.433 1104 A N -0.154 122.896 122.820 0.385 0.000 1.883 1104 A HA -0.267 4.050 4.320 -0.006 0.000 0.217 1104 A C 2.028 179.676 177.584 0.106 0.000 1.186 1104 A CA 1.866 54.037 52.037 0.224 0.000 0.624 1104 A CB -0.519 18.563 19.000 0.137 0.000 0.822 1104 A HN 0.500 nan 8.150 nan 0.000 0.444 1105 E N -0.750 119.510 120.200 0.100 0.000 2.077 1105 E HA -0.195 4.152 4.350 -0.006 0.000 0.193 1105 E C 2.123 178.779 176.600 0.093 0.000 0.989 1105 E CA 1.511 57.956 56.400 0.074 0.000 0.800 1105 E CB -0.274 29.466 29.700 0.067 0.000 0.746 1105 E HN 0.667 nan 8.360 nan 0.000 0.452 1106 M N 0.166 119.836 119.600 0.117 0.000 2.117 1106 M HA -0.164 4.312 4.480 -0.006 0.000 0.262 1106 M C 2.394 178.788 176.300 0.158 0.000 1.065 1106 M CA 1.109 56.497 55.300 0.145 0.000 1.114 1106 M CB -0.115 32.564 32.600 0.132 0.000 1.361 1106 M HN 0.023 nan 8.290 nan 0.000 0.408 1107 V N 0.832 120.837 119.914 0.151 0.000 2.307 1107 V HA -0.254 3.862 4.120 -0.006 0.000 0.245 1107 V C 2.027 178.168 176.094 0.079 0.000 1.045 1107 V CA 1.687 64.087 62.300 0.167 0.000 1.024 1107 V CB -0.888 31.024 31.823 0.148 0.000 0.651 1107 V HN 0.461 nan 8.190 nan 0.000 0.449 1108 N N 0.614 119.338 118.700 0.039 0.000 2.061 1108 N HA -0.185 4.551 4.740 -0.006 0.000 0.193 1108 N C 1.542 177.068 175.510 0.026 0.000 1.030 1108 N CA 1.870 54.924 53.050 0.006 0.000 0.856 1108 N CB -0.520 37.965 38.487 -0.003 0.000 1.023 1108 N HN 0.486 nan 8.380 nan 0.000 0.424 1109 D N 0.535 120.974 120.400 0.065 0.000 2.178 1109 D HA -0.024 4.612 4.640 -0.006 0.000 0.202 1109 D C 1.757 178.121 176.300 0.107 0.000 0.974 1109 D CA 0.877 54.929 54.000 0.087 0.000 0.841 1109 D CB -0.187 40.685 40.800 0.120 0.000 0.953 1109 D HN 0.260 nan 8.370 nan 0.000 0.478 1110 A N 0.461 123.343 122.820 0.103 0.000 1.898 1110 A HA 0.028 4.344 4.320 -0.006 0.000 0.214 1110 A C 1.208 178.719 177.584 -0.120 0.000 1.183 1110 A CA 0.444 52.486 52.037 0.009 0.000 0.622 1110 A CB 0.034 18.901 19.000 -0.221 0.000 0.824 1110 A HN 0.088 nan 8.150 nan 0.000 0.444 1111 V N 0.941 120.783 119.914 -0.120 0.000 2.350 1111 V HA 0.195 4.312 4.120 -0.006 0.000 0.276 1111 V C -1.651 174.390 176.094 -0.089 0.000 1.028 1111 V CA -1.160 61.048 62.300 -0.152 0.000 0.860 1111 V CB 1.122 32.848 31.823 -0.161 0.000 0.990 1111 V HN 0.191 nan 8.190 nan 0.000 0.453 1112 P HA -0.223 nan 4.420 nan 0.000 0.217 1112 P C 1.815 179.068 177.300 -0.079 0.000 1.162 1112 P CA 2.111 65.172 63.100 -0.066 0.000 0.901 1112 P CB 0.119 31.781 31.700 -0.064 0.000 0.793 1113 S N -1.619 114.018 115.700 -0.106 0.000 2.481 1113 S HA -0.011 4.456 4.470 -0.006 0.000 0.231 1113 S C 0.911 175.450 174.600 -0.100 0.000 0.996 1113 S CA 0.328 58.457 58.200 -0.119 0.000 0.942 1113 S CB -1.070 62.028 63.200 -0.169 0.000 0.768 1113 S HN 0.039 nan 8.310 nan 0.000 0.520 1114 I N 2.230 122.748 120.570 -0.088 0.000 2.337 1114 I HA 0.233 4.399 4.170 -0.006 0.000 0.291 1114 I C 0.795 176.868 176.117 -0.072 0.000 1.046 1114 I CA -0.106 61.144 61.300 -0.084 0.000 1.324 1114 I CB 1.013 38.965 38.000 -0.080 0.000 1.409 1114 I HN 0.276 nan 8.210 nan 0.000 0.494 1115 E N 5.367 125.521 120.200 -0.078 0.000 2.434 1115 E HA 0.239 4.585 4.350 -0.006 0.000 0.207 1115 E C 0.112 176.667 176.600 -0.074 0.000 0.929 1115 E CA 0.166 56.528 56.400 -0.063 0.000 1.001 1115 E CB 1.190 30.855 29.700 -0.057 0.000 1.016 1115 E HN 0.578 nan 8.360 nan 0.000 0.502 1116 M N 1.236 120.775 119.600 -0.102 0.000 2.421 1116 M HA 0.422 4.899 4.480 -0.006 0.000 0.287 1116 M C -2.176 174.007 176.300 -0.196 0.000 1.183 1116 M CA -0.743 54.480 55.300 -0.128 0.000 0.916 1116 M CB 2.877 35.412 32.600 -0.109 0.000 1.701 1116 M HN -0.103 nan 8.290 nan 0.000 0.470 1117 V N 3.205 122.953 119.914 -0.277 0.000 3.007 1117 V HA 0.858 4.974 4.120 -0.006 0.000 0.311 1117 V C -1.909 173.833 176.094 -0.588 0.000 1.120 1117 V CA -0.527 61.509 62.300 -0.440 0.000 0.980 1117 V CB 2.450 33.981 31.823 -0.486 0.000 1.033 1117 V HN 0.986 nan 8.190 nan 0.000 0.429 1118 R N 4.302 124.341 120.500 -0.768 0.000 2.476 1118 R HA 0.569 4.905 4.340 -0.006 0.000 0.305 1118 R C -1.784 174.151 176.300 -0.608 0.000 0.965 1118 R CA -0.476 55.200 56.100 -0.707 0.000 0.867 1118 R CB 0.965 30.745 30.300 -0.866 0.000 1.176 1118 R HN 0.553 nan 8.270 nan 0.000 0.447 1119 F N 4.438 124.292 119.950 -0.161 0.000 2.399 1119 F HA 0.471 4.995 4.527 -0.005 0.000 0.342 1119 F C 0.898 176.686 175.800 -0.020 0.000 1.106 1119 F CA -0.048 57.909 58.000 -0.071 0.000 1.196 1119 F CB 1.278 40.250 39.000 -0.048 0.000 1.163 1119 F HN 0.397 nan 8.300 nan 0.000 0.547 1120 V N -0.371 119.687 119.914 0.239 0.000 3.087 1120 V HA 0.496 4.613 4.120 -0.006 0.000 0.311 1120 V C -0.522 175.651 176.094 0.132 0.000 1.333 1120 V CA -0.962 61.439 62.300 0.169 0.000 1.054 1120 V CB 1.890 33.825 31.823 0.188 0.000 1.123 1120 V HN 0.655 nan 8.190 nan 0.000 0.473 1121 N N 0.634 119.392 118.700 0.097 0.000 2.236 1121 N HA 0.404 5.141 4.740 -0.006 0.000 0.196 1121 N C -0.017 175.537 175.510 0.074 0.000 1.114 1121 N CA 0.603 53.696 53.050 0.071 0.000 0.859 1121 N CB 0.532 39.051 38.487 0.054 0.000 0.982 1121 N HN 0.991 nan 8.380 nan 0.000 0.493 1122 S N -3.118 112.633 115.700 0.086 0.000 2.636 1122 S HA 0.459 4.925 4.470 -0.006 0.000 0.266 1122 S C 0.768 175.418 174.600 0.083 0.000 1.147 1122 S CA -0.587 57.663 58.200 0.082 0.000 0.815 1122 S CB 0.716 63.963 63.200 0.079 0.000 1.119 1122 S HN -0.032 nan 8.310 nan 0.000 0.470 1123 G N 0.485 109.331 108.800 0.077 0.000 2.421 1123 G HA2 0.038 3.994 3.960 -0.006 0.000 0.217 1123 G HA3 0.038 3.994 3.960 -0.006 0.000 0.217 1123 G C 1.024 175.936 174.900 0.019 0.000 1.143 1123 G CA 1.384 46.520 45.100 0.061 0.000 0.784 1123 G HN 0.764 nan 8.290 nan 0.000 0.541 1124 T N 0.885 115.445 114.554 0.010 0.000 2.708 1124 T HA -0.071 4.275 4.350 -0.006 0.000 0.266 1124 T C 2.194 176.868 174.700 -0.043 0.000 1.037 1124 T CA 1.481 63.547 62.100 -0.057 0.000 1.146 1124 T CB -0.141 68.660 68.868 -0.111 0.000 0.865 1124 T HN 0.446 nan 8.240 nan 0.000 0.435 1125 E N 0.906 121.102 120.200 -0.006 0.000 2.077 1125 E HA -0.057 4.289 4.350 -0.006 0.000 0.193 1125 E C 2.572 179.173 176.600 0.003 0.000 0.989 1125 E CA 0.935 57.337 56.400 0.003 0.000 0.800 1125 E CB -0.201 29.526 29.700 0.044 0.000 0.746 1125 E HN 0.461 nan 8.360 nan 0.000 0.452 1126 A N 0.850 123.701 122.820 0.052 0.000 1.902 1126 A HA -0.201 4.115 4.320 -0.006 0.000 0.217 1126 A C 2.433 179.981 177.584 -0.059 0.000 1.181 1126 A CA 1.280 53.359 52.037 0.071 0.000 0.623 1126 A CB -0.846 18.245 19.000 0.153 0.000 0.818 1126 A HN 0.360 nan 8.150 nan 0.000 0.443 1127 C N -1.000 118.295 119.300 -0.007 0.000 2.440 1127 C HA -0.063 4.394 4.460 -0.006 0.000 0.278 1127 C C 2.870 177.955 174.990 0.160 0.000 1.295 1127 C CA 1.233 60.281 59.018 0.049 0.000 1.738 1127 C CB -1.312 26.403 27.740 -0.042 0.000 1.987 1127 C HN 0.642 nan 8.230 nan 0.000 0.492 1128 M N 1.104 120.741 119.600 0.062 0.000 2.086 1128 M HA -0.156 4.321 4.480 -0.006 0.000 0.261 1128 M C 2.564 178.772 176.300 -0.153 0.000 1.067 1128 M CA 2.167 57.442 55.300 -0.041 0.000 1.116 1128 M CB -0.561 31.993 32.600 -0.077 0.000 1.348 1128 M HN 0.448 nan 8.290 nan 0.000 0.407 1129 A N -0.464 122.194 122.820 -0.270 0.000 1.877 1129 A HA -0.135 4.182 4.320 -0.006 0.000 0.216 1129 A C 2.276 179.555 177.584 -0.508 0.000 1.186 1129 A CA 1.751 53.494 52.037 -0.490 0.000 0.620 1129 A CB -1.157 17.248 19.000 -0.991 0.000 0.822 1129 A HN 0.303 nan 8.150 nan 0.000 0.443 1130 V N -0.072 119.544 119.914 -0.496 0.000 2.490 1130 V HA -0.177 3.940 4.120 -0.006 0.000 0.250 1130 V C 2.354 178.375 176.094 -0.123 0.000 1.061 1130 V CA 1.762 63.900 62.300 -0.270 0.000 1.064 1130 V CB -0.357 31.385 31.823 -0.135 0.000 0.670 1130 V HN 0.553 nan 8.190 nan 0.000 0.461 1131 L N 0.048 121.218 121.223 -0.089 0.000 2.027 1131 L HA -0.141 4.196 4.340 -0.006 0.000 0.206 1131 L C 2.570 179.372 176.870 -0.113 0.000 1.074 1131 L CA 2.367 57.153 54.840 -0.090 0.000 0.745 1131 L CB -1.109 40.823 42.059 -0.212 0.000 0.898 1131 L HN 0.347 nan 8.230 nan 0.000 0.433 1132 R N -0.500 119.920 120.500 -0.132 0.000 2.092 1132 R HA -0.188 4.148 4.340 -0.006 0.000 0.231 1132 R C 2.213 178.480 176.300 -0.055 0.000 1.119 1132 R CA 1.508 57.550 56.100 -0.097 0.000 0.970 1132 R CB -0.291 29.951 30.300 -0.097 0.000 0.864 1132 R HN 0.279 nan 8.270 nan 0.000 0.440 1133 I N 0.552 121.081 120.570 -0.068 0.000 2.252 1133 I HA -0.215 3.952 4.170 -0.006 0.000 0.245 1133 I C 1.780 177.921 176.117 0.040 0.000 1.102 1133 I CA 1.549 62.845 61.300 -0.006 0.000 1.385 1133 I CB -0.060 37.930 38.000 -0.017 0.000 1.064 1133 I HN 0.264 nan 8.210 nan 0.000 0.414 1134 M N -0.472 119.136 119.600 0.012 0.000 2.108 1134 M HA -0.236 4.241 4.480 -0.006 0.000 0.261 1134 M C 2.436 178.779 176.300 0.072 0.000 1.066 1134 M CA 1.836 57.166 55.300 0.050 0.000 1.107 1134 M CB -0.524 32.086 32.600 0.017 0.000 1.356 1134 M HN 0.131 nan 8.290 nan 0.000 0.406 1135 R N -0.067 120.446 120.500 0.022 0.000 2.090 1135 R HA 0.006 4.342 4.340 -0.006 0.000 0.228 1135 R C 2.396 178.710 176.300 0.024 0.000 1.110 1135 R CA 1.296 57.401 56.100 0.009 0.000 0.973 1135 R CB -0.394 29.889 30.300 -0.029 0.000 0.869 1135 R HN 0.375 nan 8.270 nan 0.000 0.440 1136 A N 0.223 123.067 122.820 0.040 0.000 1.930 1136 A HA -0.201 4.115 4.320 -0.006 0.000 0.217 1136 A C 1.929 179.558 177.584 0.074 0.000 1.175 1136 A CA 1.029 53.094 52.037 0.046 0.000 0.627 1136 A CB -0.592 18.440 19.000 0.054 0.000 0.815 1136 A HN 0.426 nan 8.150 nan 0.000 0.443 1137 Y N 1.569 121.867 120.300 -0.004 0.000 2.263 1137 Y HA -0.161 4.386 4.550 -0.006 0.000 0.292 1137 Y C 2.749 178.651 175.900 0.003 0.000 1.130 1137 Y CA 2.297 60.399 58.100 0.002 0.000 1.179 1137 Y CB -0.282 38.181 38.460 0.005 0.000 0.998 1137 Y HN 0.417 nan 8.280 nan 0.000 0.532 1138 T N -4.044 110.516 114.554 0.011 0.000 3.051 1138 T HA 0.259 4.605 4.350 -0.006 0.000 0.255 1138 T C 1.741 176.400 174.700 -0.069 0.000 1.085 1138 T CA 0.607 62.671 62.100 -0.060 0.000 1.109 1138 T CB -0.348 68.554 68.868 0.056 0.000 0.921 1138 T HN 0.606 nan 8.240 nan 0.000 0.488 1139 G N 1.714 110.488 108.800 -0.044 0.000 2.148 1139 G HA2 -0.250 3.707 3.960 -0.006 0.000 0.254 1139 G HA3 -0.250 3.707 3.960 -0.006 0.000 0.254 1139 G C 0.085 174.968 174.900 -0.028 0.000 0.981 1139 G CA 0.045 45.120 45.100 -0.040 0.000 0.670 1139 G HN 0.714 nan 8.290 nan 0.000 0.528 1140 R N -0.331 120.157 120.500 -0.020 0.000 2.668 1140 R HA 0.557 4.894 4.340 -0.006 0.000 0.279 1140 R C 0.011 176.290 176.300 -0.034 0.000 0.976 1140 R CA -0.672 55.413 56.100 -0.024 0.000 0.978 1140 R CB 0.942 31.232 30.300 -0.016 0.000 1.133 1140 R HN 0.015 nan 8.270 nan 0.000 0.484 1141 D N 0.666 121.038 120.400 -0.047 0.000 2.392 1141 D HA 0.014 4.650 4.640 -0.006 0.000 0.206 1141 D C -0.150 176.103 176.300 -0.077 0.000 1.046 1141 D CA 0.797 54.762 54.000 -0.059 0.000 0.865 1141 D CB 0.529 41.295 40.800 -0.056 0.000 0.969 1141 D HN 0.171 nan 8.370 nan 0.000 0.509 1142 K N 0.986 121.334 120.400 -0.087 0.000 2.174 1142 K HA 0.409 4.726 4.320 -0.006 0.000 0.275 1142 K C -0.139 176.387 176.600 -0.124 0.000 1.015 1142 K CA -0.549 55.670 56.287 -0.113 0.000 0.933 1142 K CB 1.960 34.377 32.500 -0.139 0.000 1.025 1142 K HN -0.110 nan 8.250 nan 0.000 0.463 1143 I N 2.262 122.756 120.570 -0.126 0.000 2.689 1143 I HA 0.385 4.551 4.170 -0.006 0.000 0.299 1143 I C -0.286 175.749 176.117 -0.137 0.000 1.059 1143 I CA -0.617 60.616 61.300 -0.111 0.000 1.055 1143 I CB 1.768 39.723 38.000 -0.074 0.000 1.243 1143 I HN 0.435 nan 8.210 nan 0.000 0.425 1144 I N 5.378 125.856 120.570 -0.152 0.000 2.378 1144 I HA 0.438 4.605 4.170 -0.006 0.000 0.291 1144 I C -0.434 175.555 176.117 -0.214 0.000 0.992 1144 I CA -0.627 60.543 61.300 -0.217 0.000 1.154 1144 I CB 1.201 39.034 38.000 -0.278 0.000 1.315 1144 I HN 0.583 nan 8.210 nan 0.000 0.448 1145 K N 5.197 125.462 120.400 -0.226 0.000 2.444 1145 K HA 0.652 4.969 4.320 -0.006 0.000 0.252 1145 K C -1.577 174.846 176.600 -0.296 0.000 0.993 1145 K CA -0.734 55.475 56.287 -0.130 0.000 0.847 1145 K CB 1.911 34.501 32.500 0.150 0.000 1.340 1145 K HN 0.163 nan 8.250 nan 0.000 0.446 1146 F N 0.876 120.962 119.950 0.227 0.000 2.425 1146 F HA 0.265 4.789 4.527 -0.006 0.000 0.331 1146 F C 0.671 176.545 175.800 0.123 0.000 1.085 1146 F CA -0.672 57.458 58.000 0.216 0.000 1.028 1146 F CB 1.623 40.846 39.000 0.371 0.000 1.177 1146 F HN 0.607 nan 8.300 nan 0.000 0.487 1147 E N 1.048 121.415 120.200 0.278 0.000 2.417 1147 E HA 0.313 4.659 4.350 -0.006 0.000 0.261 1147 E C 0.938 177.524 176.600 -0.024 0.000 1.000 1147 E CA 1.003 57.484 56.400 0.135 0.000 0.919 1147 E CB 0.319 30.149 29.700 0.218 0.000 0.955 1147 E HN 0.906 nan 8.360 nan 0.000 0.455 1148 G N 3.312 111.878 108.800 -0.390 0.000 2.234 1148 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.235 1148 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.235 1148 G C 0.271 174.941 174.900 -0.384 0.000 0.997 1148 G CA -0.006 44.629 45.100 -0.776 0.000 0.623 1148 G HN 0.646 nan 8.290 nan 0.000 0.514 1149 C N 0.386 119.572 119.300 -0.191 0.000 2.534 1149 C HA 0.675 5.131 4.460 -0.006 0.000 0.385 1149 C C 0.119 174.917 174.990 -0.319 0.000 1.264 1149 C CA -0.207 58.680 59.018 -0.218 0.000 2.342 1149 C CB 0.349 28.048 27.740 -0.068 0.000 2.564 1149 C HN 0.437 nan 8.230 nan 0.000 0.603 1150 Y N 0.798 120.739 120.300 -0.598 0.000 2.406 1150 Y HA 0.424 4.971 4.550 -0.006 0.000 0.340 1150 Y C 0.049 175.507 175.900 -0.737 0.000 0.975 1150 Y CA -0.544 57.237 58.100 -0.532 0.000 1.056 1150 Y CB 0.709 39.001 38.460 -0.279 0.000 1.210 1150 Y HN 0.866 nan 8.280 nan 0.000 0.448 1151 H N 3.940 122.439 119.070 -0.953 0.000 2.562 1151 H HA 0.532 5.084 4.556 -0.006 0.000 0.249 1151 H C 0.519 175.243 175.328 -1.007 0.000 1.195 1151 H CA -0.082 55.351 56.048 -1.025 0.000 0.938 1151 H CB 0.492 29.327 29.762 -1.544 0.000 1.891 1151 H HN 1.013 nan 8.280 nan 0.000 0.595 1152 G N 1.301 109.387 108.800 -1.191 0.000 2.710 1152 G HA2 -0.260 3.696 3.960 -0.006 0.000 0.668 1152 G HA3 -0.260 3.696 3.960 -0.006 0.000 0.668 1152 G C 0.122 174.795 174.900 -0.378 0.000 1.320 1152 G CA -0.303 44.449 45.100 -0.581 0.000 0.860 1152 G HN 0.649 nan 8.290 nan 0.000 0.538 1153 H N -0.325 118.745 119.070 0.000 0.000 2.537 1153 H HA 0.604 5.157 4.556 -0.006 0.000 0.295 1153 H C 0.995 176.393 175.328 0.117 0.000 1.054 1153 H CA 0.695 56.811 56.048 0.113 0.000 1.156 1153 H CB -0.602 29.250 29.762 0.150 0.000 1.468 1153 H HN 1.319 nan 8.280 nan 0.000 0.551 1154 A N 1.401 124.223 122.820 0.004 0.000 2.511 1154 A HA -0.041 4.276 4.320 -0.006 0.000 0.242 1154 A C 0.716 178.285 177.584 -0.025 0.000 1.069 1154 A CA 0.060 52.071 52.037 -0.044 0.000 0.763 1154 A CB 0.206 19.156 19.000 -0.082 0.000 1.001 1154 A HN 0.335 nan 8.150 nan 0.000 0.498 1155 D N 1.851 122.222 120.400 -0.048 0.000 2.268 1155 D HA -0.256 4.381 4.640 -0.006 0.000 0.189 1155 D C 1.712 177.963 176.300 -0.082 0.000 1.010 1155 D CA 2.442 56.419 54.000 -0.039 0.000 0.862 1155 D CB -0.234 40.535 40.800 -0.053 0.000 0.943 1155 D HN 0.695 nan 8.370 nan 0.000 0.451 1156 M N -1.152 118.312 119.600 -0.226 0.000 2.446 1156 M HA -0.069 4.407 4.480 -0.006 0.000 0.263 1156 M C 1.452 177.651 176.300 -0.168 0.000 1.066 1156 M CA 0.803 55.950 55.300 -0.255 0.000 1.087 1156 M CB -0.136 32.227 32.600 -0.394 0.000 1.406 1156 M HN 0.047 nan 8.290 nan 0.000 0.459 1157 F N -0.797 119.141 119.950 -0.021 0.000 2.664 1157 F HA 0.001 4.525 4.527 -0.006 0.000 0.296 1157 F C 0.724 176.531 175.800 0.013 0.000 1.125 1157 F CA -0.429 57.567 58.000 -0.007 0.000 1.444 1157 F CB 0.270 39.238 39.000 -0.054 0.000 1.114 1157 F HN -0.051 nan 8.300 nan 0.000 0.576 1158 L N 1.692 123.029 121.223 0.189 0.000 2.650 1158 L HA 0.099 4.436 4.340 -0.006 0.000 0.239 1158 L C -0.434 176.496 176.870 0.099 0.000 1.412 1158 L CA 0.135 55.064 54.840 0.149 0.000 1.219 1158 L CB -1.009 41.125 42.059 0.125 0.000 1.534 1158 L HN -0.195 nan 8.230 nan 0.000 0.430 1159 V N 0.085 120.062 119.914 0.104 0.000 2.524 1159 V HA 0.281 4.398 4.120 -0.006 0.000 0.297 1159 V C 0.427 176.558 176.094 0.062 0.000 1.035 1159 V CA -1.436 60.905 62.300 0.069 0.000 0.867 1159 V CB 1.691 33.547 31.823 0.055 0.000 1.004 1159 V HN 0.473 nan 8.190 nan 0.000 0.426 1160 K N 1.695 122.123 120.400 0.046 0.000 3.156 1160 K HA -0.223 4.094 4.320 -0.006 0.000 0.266 1160 K C 0.484 177.060 176.600 -0.039 0.000 0.966 1160 K CA 0.765 57.070 56.287 0.030 0.000 0.719 1160 K CB -0.757 31.776 32.500 0.056 0.000 1.333 1160 K HN 0.939 nan 8.250 nan 0.000 0.468 1161 A N 0.275 123.081 122.820 -0.024 0.000 2.286 1161 A HA 0.699 5.016 4.320 -0.006 0.000 0.286 1161 A C 0.994 178.461 177.584 -0.195 0.000 1.097 1161 A CA 0.217 52.234 52.037 -0.033 0.000 0.821 1161 A CB 0.897 19.989 19.000 0.154 0.000 1.076 1161 A HN 0.411 nan 8.150 nan 0.000 0.490 1162 G N -0.852 107.823 108.800 -0.208 0.000 2.849 1162 G HA2 0.516 4.473 3.960 -0.006 0.000 0.174 1162 G HA3 0.516 4.473 3.960 -0.006 0.000 0.174 1162 G C 0.575 175.286 174.900 -0.314 0.000 1.370 1162 G CA 0.541 45.436 45.100 -0.342 0.000 1.040 1162 G HN 1.929 nan 8.290 nan 0.000 0.582 1163 S N -2.111 113.428 115.700 -0.270 0.000 3.469 1163 S HA -0.228 4.239 4.470 -0.006 0.000 0.628 1163 S C 2.000 176.422 174.600 -0.297 0.000 2.687 1163 S CA 1.856 59.858 58.200 -0.330 0.000 3.829 1163 S CB -1.554 61.222 63.200 -0.707 0.000 0.258 1163 S HN 2.098 nan 8.310 nan 0.000 1.222 1164 G N 0.515 109.083 108.800 -0.387 0.000 2.507 1164 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.221 1164 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.221 1164 G C 1.550 176.348 174.900 -0.170 0.000 1.119 1164 G CA 1.724 46.678 45.100 -0.244 0.000 0.751 1164 G HN 0.898 nan 8.290 nan 0.000 0.574 1165 V N 1.388 121.173 119.914 -0.215 0.000 2.287 1165 V HA -0.164 3.953 4.120 -0.006 0.000 0.248 1165 V C 3.306 179.343 176.094 -0.094 0.000 1.053 1165 V CA 2.195 64.426 62.300 -0.116 0.000 1.027 1165 V CB -1.035 30.736 31.823 -0.087 0.000 0.646 1165 V HN 0.512 nan 8.190 nan 0.000 0.447 1166 A N -0.116 122.615 122.820 -0.148 0.000 1.858 1166 A HA -0.226 4.090 4.320 -0.006 0.000 0.216 1166 A C 2.412 179.936 177.584 -0.100 0.000 1.190 1166 A CA 2.561 54.493 52.037 -0.175 0.000 0.617 1166 A CB -1.193 17.593 19.000 -0.358 0.000 0.827 1166 A HN 0.500 nan 8.150 nan 0.000 0.443 1167 T N 0.636 115.206 114.554 0.028 0.000 2.665 1167 T HA -0.153 4.193 4.350 -0.006 0.000 0.268 1167 T C 1.642 176.395 174.700 0.088 0.000 1.035 1167 T CA 1.731 63.924 62.100 0.156 0.000 1.151 1167 T CB -0.419 68.514 68.868 0.109 0.000 0.862 1167 T HN 0.346 nan 8.240 nan 0.000 0.438 1168 L N 0.400 121.641 121.223 0.031 0.000 2.554 1168 L HA 0.238 4.575 4.340 -0.006 0.000 0.226 1168 L C 1.811 178.698 176.870 0.028 0.000 1.137 1168 L CA 0.257 55.116 54.840 0.031 0.000 0.863 1168 L CB -0.616 41.450 42.059 0.013 0.000 0.985 1168 L HN 0.473 nan 8.230 nan 0.000 0.451 1169 G N 0.754 109.564 108.800 0.016 0.000 2.305 1169 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.287 1169 G HA3 -0.253 3.704 3.960 -0.006 0.000 0.287 1169 G C -0.075 174.833 174.900 0.013 0.000 1.036 1169 G CA -0.078 45.029 45.100 0.011 0.000 0.887 1169 G HN 0.075 nan 8.290 nan 0.000 0.505 1170 L N -0.352 120.877 121.223 0.009 0.000 2.416 1170 L HA 0.693 5.029 4.340 -0.006 0.000 0.262 1170 L C -1.111 175.769 176.870 0.017 0.000 1.093 1170 L CA -2.321 52.527 54.840 0.014 0.000 0.801 1170 L CB 0.345 42.411 42.059 0.012 0.000 1.191 1170 L HN 0.002 nan 8.230 nan 0.000 0.459 1171 P HA 0.321 nan 4.420 nan 0.000 0.282 1171 P C -0.772 176.545 177.300 0.028 0.000 1.287 1171 P CA -0.687 62.427 63.100 0.023 0.000 0.792 1171 P CB 0.410 32.121 31.700 0.020 0.000 1.163 1172 S N 0.093 115.812 115.700 0.031 0.000 2.673 1172 S HA 0.022 4.489 4.470 -0.006 0.000 0.308 1172 S C 0.630 175.251 174.600 0.035 0.000 1.246 1172 S CA 0.030 58.253 58.200 0.037 0.000 1.077 1172 S CB -0.536 62.684 63.200 0.033 0.000 0.814 1172 S HN 0.527 nan 8.310 nan 0.000 0.503 1173 S N 4.778 120.504 115.700 0.045 0.000 2.554 1173 S HA 0.106 4.572 4.470 -0.006 0.000 0.290 1173 S C -1.591 173.028 174.600 0.033 0.000 1.309 1173 S CA -0.897 57.328 58.200 0.041 0.000 1.047 1173 S CB 0.068 63.303 63.200 0.058 0.000 0.828 1173 S HN 0.533 nan 8.310 nan 0.000 0.509 1174 P HA 0.476 nan 4.420 nan 0.000 0.281 1174 P C 0.755 178.068 177.300 0.022 0.000 1.281 1174 P CA 0.205 63.317 63.100 0.021 0.000 0.811 1174 P CB 0.572 32.282 31.700 0.017 0.000 1.154 1175 G N -1.427 107.383 108.800 0.017 0.000 2.213 1175 G HA2 -0.198 3.758 3.960 -0.006 0.000 0.236 1175 G HA3 -0.198 3.758 3.960 -0.006 0.000 0.236 1175 G C -0.167 174.742 174.900 0.016 0.000 0.991 1175 G CA 0.108 45.218 45.100 0.018 0.000 0.629 1175 G HN 0.717 nan 8.290 nan 0.000 0.517 1176 V N 2.398 122.320 119.914 0.014 0.000 2.370 1176 V HA 0.725 4.841 4.120 -0.006 0.000 0.279 1176 V C -1.790 174.303 176.094 -0.001 0.000 1.029 1176 V CA -2.020 60.284 62.300 0.006 0.000 0.870 1176 V CB 1.242 33.069 31.823 0.007 0.000 0.984 1176 V HN 0.110 nan 8.190 nan 0.000 0.451 1177 P HA 0.186 nan 4.420 nan 0.000 0.267 1177 P C 0.206 177.498 177.300 -0.014 0.000 1.201 1177 P CA -0.160 62.934 63.100 -0.010 0.000 0.775 1177 P CB 0.556 32.248 31.700 -0.014 0.000 0.854 1178 K N 2.294 122.687 120.400 -0.012 0.000 2.032 1178 K HA -0.204 4.112 4.320 -0.006 0.000 0.209 1178 K C 1.774 178.361 176.600 -0.021 0.000 1.048 1178 K CA 1.966 58.245 56.287 -0.014 0.000 0.927 1178 K CB -0.555 31.939 32.500 -0.011 0.000 0.712 1178 K HN 0.462 nan 8.250 nan 0.000 0.441 1179 K N -0.056 120.330 120.400 -0.022 0.000 2.074 1179 K HA -0.162 4.154 4.320 -0.006 0.000 0.209 1179 K C 1.875 178.453 176.600 -0.037 0.000 1.048 1179 K CA 2.281 58.551 56.287 -0.028 0.000 0.926 1179 K CB -1.537 30.947 32.500 -0.026 0.000 0.713 1179 K HN 0.306 nan 8.250 nan 0.000 0.444 1180 T N -1.473 113.057 114.554 -0.040 0.000 2.812 1180 T HA -0.151 4.195 4.350 -0.006 0.000 0.264 1180 T C 2.094 176.759 174.700 -0.059 0.000 1.042 1180 T CA 1.546 63.613 62.100 -0.055 0.000 1.140 1180 T CB -1.286 67.547 68.868 -0.059 0.000 0.870 1180 T HN 0.507 nan 8.240 nan 0.000 0.445 1181 T N 1.144 115.672 114.554 -0.043 0.000 2.833 1181 T HA 0.103 4.449 4.350 -0.006 0.000 0.269 1181 T C 2.293 176.970 174.700 -0.039 0.000 1.054 1181 T CA 0.949 63.027 62.100 -0.036 0.000 1.135 1181 T CB -0.849 68.008 68.868 -0.019 0.000 0.869 1181 T HN 0.517 nan 8.240 nan 0.000 0.466 1182 A N 2.354 125.150 122.820 -0.039 0.000 2.125 1182 A HA -0.054 4.262 4.320 -0.006 0.000 0.219 1182 A C 2.180 179.731 177.584 -0.055 0.000 1.156 1182 A CA 1.077 53.090 52.037 -0.041 0.000 0.671 1182 A CB -0.612 18.366 19.000 -0.037 0.000 0.794 1182 A HN 0.532 nan 8.150 nan 0.000 0.459 1183 N N -0.047 118.615 118.700 -0.065 0.000 2.461 1183 N HA -0.015 4.721 4.740 -0.006 0.000 0.188 1183 N C -0.438 175.018 175.510 -0.089 0.000 1.134 1183 N CA 0.588 53.590 53.050 -0.080 0.000 0.878 1183 N CB 0.161 38.595 38.487 -0.089 0.000 0.972 1183 N HN 0.268 nan 8.380 nan 0.000 0.456 1184 T N 2.614 117.123 114.554 -0.075 0.000 2.788 1184 T HA 0.331 4.677 4.350 -0.006 0.000 0.296 1184 T C -0.140 174.521 174.700 -0.065 0.000 1.009 1184 T CA -0.588 61.471 62.100 -0.067 0.000 0.949 1184 T CB 1.356 70.200 68.868 -0.039 0.000 0.946 1184 T HN -0.160 nan 8.240 nan 0.000 0.453 1185 L N 4.569 125.735 121.223 -0.094 0.000 2.312 1185 L HA 0.558 4.894 4.340 -0.006 0.000 0.281 1185 L C 1.090 177.896 176.870 -0.108 0.000 1.070 1185 L CA -0.398 54.379 54.840 -0.104 0.000 0.805 1185 L CB 0.674 42.643 42.059 -0.151 0.000 1.174 1185 L HN 0.735 nan 8.230 nan 0.000 0.434 1186 T N -0.829 113.680 114.554 -0.075 0.000 2.932 1186 T HA 0.772 5.119 4.350 -0.006 0.000 0.289 1186 T C -0.089 174.581 174.700 -0.051 0.000 1.039 1186 T CA -0.688 61.372 62.100 -0.065 0.000 1.024 1186 T CB 2.578 71.447 68.868 0.002 0.000 1.090 1186 T HN 0.658 nan 8.240 nan 0.000 0.496 1187 T N 0.691 115.226 114.554 -0.032 0.000 2.853 1187 T HA 0.601 4.948 4.350 -0.006 0.000 0.311 1187 T C -3.226 171.647 174.700 0.289 0.000 1.307 1187 T CA -1.473 60.679 62.100 0.086 0.000 1.019 1187 T CB 1.545 70.449 68.868 0.061 0.000 1.264 1187 T HN 0.467 nan 8.240 nan 0.000 0.497 1188 P HA 0.246 nan 4.420 nan 0.000 0.276 1188 P C -1.108 176.434 177.300 0.403 0.000 1.230 1188 P CA -0.261 63.021 63.100 0.304 0.000 0.776 1188 P CB 0.024 31.822 31.700 0.163 0.000 0.888 1189 Y N 3.374 123.772 120.300 0.163 0.000 2.652 1189 Y HA -0.112 4.435 4.550 -0.006 0.000 0.344 1189 Y C 1.352 176.935 175.900 -0.529 0.000 1.254 1189 Y CA 1.237 59.184 58.100 -0.256 0.000 1.480 1189 Y CB -0.313 38.011 38.460 -0.227 0.000 1.345 1189 Y HN 0.599 nan 8.280 nan 0.000 0.617 1190 N N 1.123 118.718 118.700 -1.841 0.000 2.753 1190 N HA -0.267 4.470 4.740 -0.006 0.000 0.251 1190 N C -1.483 173.611 175.510 -0.694 0.000 1.097 1190 N CA 0.932 52.949 53.050 -1.721 0.000 0.786 1190 N CB -0.684 37.378 38.487 -0.709 0.000 1.137 1190 N HN 0.506 nan 8.380 nan 0.000 0.566 1191 D N 0.703 120.927 120.400 -0.294 0.000 2.458 1191 D HA 0.243 4.880 4.640 -0.006 0.000 0.258 1191 D C 0.981 177.432 176.300 0.251 0.000 1.134 1191 D CA -0.344 53.679 54.000 0.039 0.000 0.915 1191 D CB 0.369 41.227 40.800 0.097 0.000 1.028 1191 D HN 0.178 nan 8.370 nan 0.000 0.508 1192 L N 1.722 123.099 121.223 0.256 0.000 2.083 1192 L HA -0.116 4.221 4.340 -0.006 0.000 0.209 1192 L C 2.118 179.101 176.870 0.187 0.000 1.083 1192 L CA 0.780 55.782 54.840 0.271 0.000 0.752 1192 L CB 0.005 42.187 42.059 0.205 0.000 0.899 1192 L HN 0.280 nan 8.230 nan 0.000 0.433 1193 E N 0.300 120.579 120.200 0.131 0.000 2.118 1193 E HA -0.207 4.139 4.350 -0.006 0.000 0.195 1193 E C 2.265 178.933 176.600 0.112 0.000 0.992 1193 E CA 1.408 57.868 56.400 0.101 0.000 0.804 1193 E CB -0.217 29.523 29.700 0.066 0.000 0.741 1193 E HN 0.468 nan 8.360 nan 0.000 0.458 1194 A N 0.765 123.663 122.820 0.130 0.000 1.969 1194 A HA -0.099 4.217 4.320 -0.006 0.000 0.218 1194 A C 2.564 180.232 177.584 0.139 0.000 1.169 1194 A CA 1.161 53.271 52.037 0.121 0.000 0.635 1194 A CB -0.392 18.687 19.000 0.132 0.000 0.810 1194 A HN 0.138 nan 8.150 nan 0.000 0.445 1195 V N 0.149 120.187 119.914 0.207 0.000 2.379 1195 V HA -0.240 3.876 4.120 -0.006 0.000 0.245 1195 V C 2.364 178.629 176.094 0.285 0.000 1.044 1195 V CA 2.212 64.657 62.300 0.243 0.000 1.036 1195 V CB -0.676 31.347 31.823 0.333 0.000 0.664 1195 V HN 0.538 nan 8.190 nan 0.000 0.453 1196 K N 0.750 121.277 120.400 0.211 0.000 2.057 1196 K HA -0.128 4.188 4.320 -0.006 0.000 0.207 1196 K C 2.322 179.015 176.600 0.156 0.000 1.049 1196 K CA 1.522 57.914 56.287 0.174 0.000 0.931 1196 K CB -0.474 32.093 32.500 0.112 0.000 0.714 1196 K HN 0.458 nan 8.250 nan 0.000 0.440 1197 A N 1.528 124.415 122.820 0.113 0.000 1.933 1197 A HA -0.134 4.183 4.320 -0.006 0.000 0.218 1197 A C 2.125 179.736 177.584 0.045 0.000 1.175 1197 A CA 1.246 53.325 52.037 0.070 0.000 0.628 1197 A CB -0.625 18.407 19.000 0.053 0.000 0.814 1197 A HN 0.160 nan 8.150 nan 0.000 0.444 1198 L N -2.249 118.995 121.223 0.035 0.000 2.046 1198 L HA -0.161 4.175 4.340 -0.006 0.000 0.208 1198 L C 2.483 179.272 176.870 -0.135 0.000 1.077 1198 L CA 1.298 56.096 54.840 -0.069 0.000 0.747 1198 L CB -0.559 41.419 42.059 -0.134 0.000 0.896 1198 L HN 0.388 nan 8.230 nan 0.000 0.432 1199 F N 0.027 119.889 119.950 -0.147 0.000 2.146 1199 F HA -0.178 4.345 4.527 -0.006 0.000 0.298 1199 F C 2.635 178.322 175.800 -0.188 0.000 1.096 1199 F CA 1.271 59.113 58.000 -0.263 0.000 1.275 1199 F CB -0.599 38.051 39.000 -0.583 0.000 1.008 1199 F HN -0.004 nan 8.300 nan 0.000 0.480 1200 A N -0.008 122.856 122.820 0.074 0.000 1.940 1200 A HA -0.208 4.108 4.320 -0.006 0.000 0.219 1200 A C 1.923 179.521 177.584 0.024 0.000 1.176 1200 A CA 1.876 53.947 52.037 0.057 0.000 0.631 1200 A CB -0.736 18.302 19.000 0.063 0.000 0.814 1200 A HN 0.493 nan 8.150 nan 0.000 0.446 1201 E N -0.207 119.993 120.200 -0.001 0.000 2.481 1201 E HA 0.019 4.365 4.350 -0.006 0.000 0.195 1201 E C -0.326 176.251 176.600 -0.037 0.000 1.047 1201 E CA 0.234 56.624 56.400 -0.017 0.000 0.867 1201 E CB 0.055 29.741 29.700 -0.023 0.000 0.858 1201 E HN 0.548 nan 8.360 nan 0.000 0.513 1202 N N 1.591 120.256 118.700 -0.058 0.000 2.646 1202 N HA 0.118 4.854 4.740 -0.006 0.000 0.296 1202 N C -2.782 172.695 175.510 -0.055 0.000 1.886 1202 N CA -0.862 52.142 53.050 -0.077 0.000 0.855 1202 N CB 1.207 39.612 38.487 -0.138 0.000 1.336 1202 N HN 0.048 nan 8.380 nan 0.000 0.496 1203 P HA 0.014 nan 4.420 nan 0.000 0.262 1203 P C 0.968 178.288 177.300 0.033 0.000 1.199 1203 P CA 1.122 64.247 63.100 0.041 0.000 0.763 1203 P CB 0.480 32.212 31.700 0.053 0.000 0.790 1204 G N 3.404 112.240 108.800 0.060 0.000 2.148 1204 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.254 1204 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.254 1204 G C 0.548 175.451 174.900 0.005 0.000 0.981 1204 G CA 0.256 45.381 45.100 0.043 0.000 0.670 1204 G HN 0.596 nan 8.290 nan 0.000 0.528 1205 E N -0.838 119.345 120.200 -0.028 0.000 2.514 1205 E HA 0.219 4.566 4.350 -0.006 0.000 0.215 1205 E C 0.535 177.079 176.600 -0.093 0.000 0.946 1205 E CA -0.399 55.966 56.400 -0.058 0.000 1.038 1205 E CB 0.749 30.405 29.700 -0.073 0.000 1.069 1205 E HN 0.438 nan 8.360 nan 0.000 0.503 1206 I N 1.934 122.427 120.570 -0.129 0.000 2.308 1206 I HA 0.133 4.300 4.170 -0.006 0.000 0.293 1206 I C 1.301 177.387 176.117 -0.051 0.000 1.078 1206 I CA -0.036 61.146 61.300 -0.196 0.000 1.292 1206 I CB 0.481 38.153 38.000 -0.545 0.000 1.423 1206 I HN -0.016 nan 8.210 nan 0.000 0.493 1207 A N 5.348 128.143 122.820 -0.040 0.000 1.933 1207 A HA 0.311 4.628 4.320 -0.006 0.000 0.218 1207 A C 1.169 178.790 177.584 0.063 0.000 1.175 1207 A CA 1.381 53.430 52.037 0.020 0.000 0.628 1207 A CB -0.199 18.802 19.000 0.002 0.000 0.814 1207 A HN 0.899 nan 8.150 nan 0.000 0.444 1208 G N -3.422 105.399 108.800 0.034 0.000 2.315 1208 G HA2 0.426 4.382 3.960 -0.006 0.000 0.294 1208 G HA3 0.426 4.382 3.960 -0.006 0.000 0.294 1208 G C -1.663 173.274 174.900 0.060 0.000 1.300 1208 G CA -0.040 45.117 45.100 0.094 0.000 0.843 1208 G HN 0.536 nan 8.290 nan 0.000 0.527 1209 V N 0.860 120.846 119.914 0.119 0.000 2.448 1209 V HA 0.683 4.799 4.120 -0.006 0.000 0.295 1209 V C -0.110 176.064 176.094 0.133 0.000 1.025 1209 V CA -0.647 61.719 62.300 0.110 0.000 0.859 1209 V CB 1.403 33.347 31.823 0.203 0.000 0.988 1209 V HN 0.777 nan 8.190 nan 0.000 0.431 1210 I N 6.877 127.503 120.570 0.092 0.000 2.530 1210 I HA 0.824 4.990 4.170 -0.006 0.000 0.297 1210 I C -1.075 175.153 176.117 0.185 0.000 1.011 1210 I CA -0.674 60.659 61.300 0.056 0.000 1.107 1210 I CB 1.621 39.531 38.000 -0.150 0.000 1.285 1210 I HN 0.765 nan 8.210 nan 0.000 0.436 1211 L N 3.104 124.474 121.223 0.245 0.000 2.869 1211 L HA 0.559 4.896 4.340 -0.006 0.000 0.265 1211 L C -1.653 175.393 176.870 0.294 0.000 1.011 1211 L CA -0.983 54.134 54.840 0.462 0.000 0.913 1211 L CB 1.872 44.269 42.059 0.564 0.000 1.490 1211 L HN 0.488 nan 8.230 nan 0.000 0.410 1212 E N 2.653 123.022 120.200 0.283 0.000 2.105 1212 E HA 0.224 4.571 4.350 -0.006 0.000 0.285 1212 E C -1.773 174.827 176.600 -0.000 0.000 1.055 1212 E CA -1.707 54.745 56.400 0.087 0.000 0.843 1212 E CB 1.249 30.956 29.700 0.012 0.000 1.067 1212 E HN 0.473 nan 8.360 nan 0.000 0.398 1213 P HA -0.161 nan 4.420 nan 0.000 0.218 1213 P C 0.178 177.438 177.300 -0.067 0.000 1.146 1213 P CA 1.363 64.219 63.100 -0.408 0.000 0.813 1213 P CB 0.606 31.828 31.700 -0.796 0.000 0.778 1214 I N -0.667 119.859 120.570 -0.073 0.000 2.534 1214 I HA 0.178 4.344 4.170 -0.006 0.000 0.288 1214 I C -0.280 175.739 176.117 -0.163 0.000 1.077 1214 I CA -1.226 60.019 61.300 -0.091 0.000 1.051 1214 I CB 3.213 41.159 38.000 -0.090 0.000 1.234 1214 I HN -0.390 nan 8.210 nan 0.000 0.425 1215 V N 4.908 124.620 119.914 -0.336 0.000 2.649 1215 V HA 0.431 4.547 4.120 -0.006 0.000 0.292 1215 V C 0.975 176.959 176.094 -0.184 0.000 1.055 1215 V CA 0.196 62.298 62.300 -0.330 0.000 1.023 1215 V CB 1.358 32.840 31.823 -0.568 0.000 0.992 1215 V HN 1.038 nan 8.190 nan 0.000 0.480 1216 G N 1.591 110.360 108.800 -0.052 0.000 2.989 1216 G HA2 0.020 3.976 3.960 -0.006 0.000 0.221 1216 G HA3 0.020 3.976 3.960 -0.006 0.000 0.221 1216 G C 0.614 175.538 174.900 0.041 0.000 1.050 1216 G CA -0.152 44.980 45.100 0.053 0.000 0.913 1216 G HN 0.575 nan 8.290 nan 0.000 0.587 1217 N N 1.093 119.792 118.700 -0.002 0.000 2.280 1217 N HA 0.033 4.769 4.740 -0.006 0.000 0.192 1217 N C 1.060 176.557 175.510 -0.022 0.000 1.109 1217 N CA 0.799 53.841 53.050 -0.013 0.000 0.855 1217 N CB 0.828 39.294 38.487 -0.036 0.000 0.974 1217 N HN 0.363 nan 8.380 nan 0.000 0.482 1218 S N -0.928 114.791 115.700 0.033 0.000 2.901 1218 S HA 0.516 4.983 4.470 -0.006 0.000 0.248 1218 S C 0.495 175.333 174.600 0.397 0.000 1.021 1218 S CA -0.012 58.302 58.200 0.190 0.000 1.090 1218 S CB 0.448 63.668 63.200 0.033 0.000 1.039 1218 S HN 0.334 nan 8.310 nan 0.000 0.514 1219 G N 1.425 110.379 108.800 0.255 0.000 2.757 1219 G HA2 -0.059 3.897 3.960 -0.006 0.000 0.638 1219 G HA3 -0.059 3.897 3.960 -0.006 0.000 0.638 1219 G C -0.768 174.233 174.900 0.168 0.000 1.344 1219 G CA -0.629 44.554 45.100 0.138 0.000 0.855 1219 G HN 0.884 nan 8.290 nan 0.000 0.537 1220 F N 0.786 120.701 119.950 -0.058 0.000 2.472 1220 F HA 0.718 5.242 4.527 -0.006 0.000 0.364 1220 F C 0.698 176.600 175.800 0.171 0.000 1.090 1220 F CA -0.619 57.379 58.000 -0.002 0.000 1.188 1220 F CB 0.260 39.195 39.000 -0.108 0.000 1.105 1220 F HN 0.439 nan 8.300 nan 0.000 0.536 1221 I N 7.186 127.424 120.570 -0.553 0.000 2.548 1221 I HA 0.263 4.430 4.170 -0.006 0.000 0.287 1221 I C -1.051 174.738 176.117 -0.546 0.000 1.103 1221 I CA -0.963 60.072 61.300 -0.442 0.000 1.049 1221 I CB 1.848 39.651 38.000 -0.329 0.000 1.232 1221 I HN 0.178 nan 8.210 nan 0.000 0.429 1222 V N 7.102 126.788 119.914 -0.381 0.000 2.743 1222 V HA 0.411 4.527 4.120 -0.006 0.000 0.301 1222 V C -1.950 174.178 176.094 0.057 0.000 1.057 1222 V CA -1.542 60.672 62.300 -0.143 0.000 1.006 1222 V CB 1.613 33.418 31.823 -0.031 0.000 1.024 1222 V HN 0.578 nan 8.190 nan 0.000 0.473 1223 P HA 0.197 nan 4.420 nan 0.000 0.275 1223 P C -0.871 176.455 177.300 0.043 0.000 1.227 1223 P CA -0.419 62.788 63.100 0.177 0.000 0.781 1223 P CB 0.784 32.672 31.700 0.313 0.000 0.906 1224 D N 0.675 121.062 120.400 -0.022 0.000 2.363 1224 D HA 0.185 4.821 4.640 -0.006 0.000 0.240 1224 D C 0.567 176.877 176.300 0.017 0.000 1.236 1224 D CA 0.194 54.195 54.000 0.001 0.000 0.927 1224 D CB 0.324 41.127 40.800 0.005 0.000 1.150 1224 D HN 0.379 nan 8.370 nan 0.000 0.458 1225 A N -0.043 122.774 122.820 -0.006 0.000 2.546 1225 A HA 0.430 4.746 4.320 -0.006 0.000 0.243 1225 A C 1.435 179.030 177.584 0.018 0.000 1.063 1225 A CA 0.629 52.653 52.037 -0.023 0.000 0.757 1225 A CB -0.354 18.631 19.000 -0.026 0.000 0.991 1225 A HN 0.807 nan 8.150 nan 0.000 0.503 1226 G N 1.272 110.081 108.800 0.015 0.000 2.205 1226 G HA2 -0.348 3.608 3.960 -0.006 0.000 0.261 1226 G HA3 -0.348 3.608 3.960 -0.006 0.000 0.261 1226 G C 0.812 175.761 174.900 0.081 0.000 0.980 1226 G CA 1.013 46.135 45.100 0.036 0.000 0.632 1226 G HN 1.294 nan 8.290 nan 0.000 0.533 1227 F N 1.270 121.176 119.950 -0.073 0.000 2.051 1227 F HA 0.178 4.702 4.527 -0.006 0.000 0.296 1227 F C 2.576 178.332 175.800 -0.073 0.000 1.122 1227 F CA 2.150 60.085 58.000 -0.109 0.000 1.201 1227 F CB -0.545 38.329 39.000 -0.210 0.000 0.978 1227 F HN 0.183 nan 8.300 nan 0.000 0.472 1228 L N -0.170 120.959 121.223 -0.157 0.000 2.046 1228 L HA -0.205 4.131 4.340 -0.006 0.000 0.208 1228 L C 2.339 179.167 176.870 -0.070 0.000 1.077 1228 L CA 1.629 56.367 54.840 -0.169 0.000 0.747 1228 L CB -0.855 41.245 42.059 0.069 0.000 0.896 1228 L HN 0.115 nan 8.230 nan 0.000 0.432 1229 E N 0.458 120.646 120.200 -0.021 0.000 2.058 1229 E HA -0.167 4.179 4.350 -0.006 0.000 0.194 1229 E C 2.201 178.778 176.600 -0.038 0.000 0.997 1229 E CA 1.347 57.741 56.400 -0.010 0.000 0.801 1229 E CB -0.613 29.087 29.700 0.000 0.000 0.746 1229 E HN 0.466 nan 8.360 nan 0.000 0.450 1230 G N 0.799 109.567 108.800 -0.053 0.000 2.446 1230 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.217 1230 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.217 1230 G C 1.536 176.391 174.900 -0.076 0.000 1.168 1230 G CA 0.894 45.965 45.100 -0.048 0.000 0.771 1230 G HN 0.156 nan 8.290 nan 0.000 0.551 1231 L N -0.152 120.977 121.223 -0.158 0.000 2.079 1231 L HA -0.102 4.235 4.340 -0.006 0.000 0.210 1231 L C 2.947 179.794 176.870 -0.038 0.000 1.081 1231 L CA 1.232 56.006 54.840 -0.110 0.000 0.752 1231 L CB -0.391 41.541 42.059 -0.212 0.000 0.896 1231 L HN 0.141 nan 8.230 nan 0.000 0.433 1232 R N 0.772 121.251 120.500 -0.035 0.000 2.073 1232 R HA -0.194 4.143 4.340 -0.006 0.000 0.234 1232 R C 2.048 178.323 176.300 -0.042 0.000 1.134 1232 R CA 1.829 57.914 56.100 -0.025 0.000 0.952 1232 R CB -0.522 29.765 30.300 -0.022 0.000 0.850 1232 R HN 0.435 nan 8.270 nan 0.000 0.433 1233 E N 0.016 120.186 120.200 -0.049 0.000 2.038 1233 E HA -0.184 4.162 4.350 -0.006 0.000 0.195 1233 E C 2.031 178.577 176.600 -0.091 0.000 1.000 1233 E CA 1.889 58.252 56.400 -0.062 0.000 0.803 1233 E CB -0.316 29.353 29.700 -0.052 0.000 0.750 1233 E HN 0.529 nan 8.360 nan 0.000 0.448 1234 I N -0.124 120.387 120.570 -0.099 0.000 2.394 1234 I HA -0.172 3.995 4.170 -0.006 0.000 0.251 1234 I C 2.362 178.354 176.117 -0.208 0.000 1.136 1234 I CA 1.776 62.980 61.300 -0.161 0.000 1.425 1234 I CB -0.602 37.292 38.000 -0.175 0.000 1.079 1234 I HN 0.119 nan 8.210 nan 0.000 0.425 1235 T N 0.299 114.779 114.554 -0.123 0.000 2.746 1235 T HA -0.095 4.252 4.350 -0.006 0.000 0.267 1235 T C 1.958 176.648 174.700 -0.018 0.000 1.039 1235 T CA 1.513 63.595 62.100 -0.029 0.000 1.142 1235 T CB -0.939 67.971 68.868 0.070 0.000 0.866 1235 T HN 0.444 nan 8.240 nan 0.000 0.444 1236 L N 1.080 122.274 121.223 -0.048 0.000 2.046 1236 L HA -0.075 4.261 4.340 -0.006 0.000 0.208 1236 L C 3.078 179.890 176.870 -0.097 0.000 1.077 1236 L CA 1.975 56.785 54.840 -0.050 0.000 0.747 1236 L CB -0.624 41.402 42.059 -0.055 0.000 0.896 1236 L HN 0.444 nan 8.230 nan 0.000 0.432 1237 E N 0.092 120.181 120.200 -0.184 0.000 2.097 1237 E HA -0.267 4.080 4.350 -0.006 0.000 0.196 1237 E C 1.238 177.582 176.600 -0.427 0.000 1.000 1237 E CA 1.709 57.905 56.400 -0.339 0.000 0.804 1237 E CB -0.003 29.399 29.700 -0.496 0.000 0.740 1237 E HN 0.623 nan 8.360 nan 0.000 0.454 1238 H N 0.181 119.168 119.070 -0.139 0.000 2.505 1238 H HA 0.153 4.705 4.556 -0.006 0.000 0.289 1238 H C -0.545 174.810 175.328 0.044 0.000 1.052 1238 H CA 0.377 56.400 56.048 -0.041 0.000 1.156 1238 H CB 0.462 30.200 29.762 -0.040 0.000 1.507 1238 H HN 0.149 nan 8.280 nan 0.000 0.548 1239 D N -0.061 120.388 120.400 0.080 0.000 2.751 1239 D HA -0.180 4.456 4.640 -0.006 0.000 0.233 1239 D C 0.119 176.507 176.300 0.147 0.000 1.149 1239 D CA 0.963 55.017 54.000 0.091 0.000 0.682 1239 D CB -1.205 39.635 40.800 0.067 0.000 1.068 1239 D HN 0.573 nan 8.370 nan 0.000 0.429 1240 A N -0.322 122.611 122.820 0.188 0.000 2.299 1240 A HA 0.666 4.982 4.320 -0.006 0.000 0.332 1240 A C 0.003 177.686 177.584 0.164 0.000 1.131 1240 A CA -0.586 51.586 52.037 0.225 0.000 0.844 1240 A CB 1.145 20.387 19.000 0.404 0.000 1.251 1240 A HN 0.075 nan 8.150 nan 0.000 0.486 1241 L N 0.390 121.700 121.223 0.145 0.000 2.379 1241 L HA 0.499 4.835 4.340 -0.006 0.000 0.269 1241 L C -0.334 176.586 176.870 0.083 0.000 1.084 1241 L CA -0.257 54.635 54.840 0.087 0.000 0.802 1241 L CB 1.245 43.342 42.059 0.064 0.000 1.175 1241 L HN 0.624 nan 8.230 nan 0.000 0.448 1242 L N 3.493 124.736 121.223 0.032 0.000 2.298 1242 L HA 0.614 4.951 4.340 -0.006 0.000 0.284 1242 L C -0.977 175.899 176.870 0.009 0.000 1.013 1242 L CA -0.179 54.690 54.840 0.048 0.000 0.824 1242 L CB 1.458 43.515 42.059 -0.004 0.000 1.221 1242 L HN 0.261 nan 8.230 nan 0.000 0.418 1243 V N 5.894 125.873 119.914 0.108 0.000 2.409 1243 V HA 0.450 4.566 4.120 -0.006 0.000 0.291 1243 V C -0.598 175.691 176.094 0.325 0.000 1.020 1243 V CA -0.457 61.909 62.300 0.110 0.000 0.848 1243 V CB 1.340 33.194 31.823 0.052 0.000 0.990 1243 V HN 0.456 nan 8.190 nan 0.000 0.430 1244 F N 2.873 122.822 119.950 -0.002 0.000 2.405 1244 F HA 0.377 4.900 4.527 -0.006 0.000 0.355 1244 F C 0.514 176.319 175.800 0.008 0.000 1.121 1244 F CA -1.580 56.429 58.000 0.015 0.000 1.112 1244 F CB 1.201 40.202 39.000 0.002 0.000 1.126 1244 F HN 0.495 nan 8.300 nan 0.000 0.481 1245 D N 3.850 124.352 120.400 0.170 0.000 2.468 1245 D HA 0.066 4.702 4.640 -0.006 0.000 0.218 1245 D C 0.092 176.458 176.300 0.110 0.000 1.155 1245 D CA 0.108 54.178 54.000 0.116 0.000 0.924 1245 D CB 0.257 41.158 40.800 0.168 0.000 1.029 1245 D HN 0.552 nan 8.370 nan 0.000 0.515 1246 E N 2.952 123.216 120.200 0.107 0.000 2.405 1246 E HA 0.058 4.404 4.350 -0.006 0.000 0.214 1246 E C 1.425 178.080 176.600 0.090 0.000 1.101 1246 E CA -0.183 56.263 56.400 0.077 0.000 1.254 1246 E CB 1.002 30.733 29.700 0.052 0.000 1.240 1246 E HN 0.325 nan 8.360 nan 0.000 0.439 1247 V N 0.521 120.495 119.914 0.100 0.000 2.343 1247 V HA -0.256 3.861 4.120 -0.006 0.000 0.247 1247 V C 2.012 178.172 176.094 0.111 0.000 1.051 1247 V CA 1.607 63.972 62.300 0.109 0.000 1.036 1247 V CB -0.186 31.694 31.823 0.096 0.000 0.654 1247 V HN 0.423 nan 8.190 nan 0.000 0.451 1248 I N 0.146 120.785 120.570 0.116 0.000 2.385 1248 I HA -0.121 4.045 4.170 -0.006 0.000 0.244 1248 I C 2.687 178.878 176.117 0.122 0.000 1.089 1248 I CA 1.626 63.002 61.300 0.126 0.000 1.410 1248 I CB -0.586 37.549 38.000 0.224 0.000 1.117 1248 I HN 0.450 nan 8.210 nan 0.000 0.429 1249 T N -0.724 113.897 114.554 0.112 0.000 2.915 1249 T HA 0.001 4.347 4.350 -0.006 0.000 0.269 1249 T C 1.313 176.033 174.700 0.034 0.000 1.071 1249 T CA 0.439 62.586 62.100 0.080 0.000 1.132 1249 T CB -1.107 67.772 68.868 0.018 0.000 0.878 1249 T HN 0.307 nan 8.240 nan 0.000 0.479 1250 G N 0.326 109.141 108.800 0.025 0.000 2.305 1250 G HA2 0.332 4.288 3.960 -0.006 0.000 0.243 1250 G HA3 0.332 4.288 3.960 -0.006 0.000 0.243 1250 G C -0.020 174.919 174.900 0.065 0.000 1.288 1250 G CA -0.440 44.611 45.100 -0.082 0.000 0.901 1250 G HN 0.417 nan 8.290 nan 0.000 0.516 1251 F N -0.749 119.205 119.950 0.008 0.000 2.890 1251 F HA -0.281 4.242 4.527 -0.005 0.000 0.346 1251 F C 1.968 177.931 175.800 0.271 0.000 0.660 1251 F CA 1.627 59.686 58.000 0.099 0.000 1.091 1251 F CB -0.961 38.073 39.000 0.057 0.000 1.535 1251 F HN 0.589 nan 8.300 nan 0.000 0.314 1252 R N 0.325 121.004 120.500 0.299 0.000 2.119 1252 R HA 0.195 4.532 4.340 -0.006 0.000 0.202 1252 R C 2.024 178.512 176.300 0.314 0.000 1.114 1252 R CA 0.556 56.849 56.100 0.321 0.000 1.089 1252 R CB 0.071 30.494 30.300 0.204 0.000 1.000 1252 R HN 0.209 nan 8.270 nan 0.000 0.487 1253 I N 1.371 122.028 120.570 0.144 0.000 2.394 1253 I HA 0.044 4.211 4.170 -0.006 0.000 0.251 1253 I C 0.890 176.979 176.117 -0.048 0.000 1.136 1253 I CA 1.118 62.453 61.300 0.058 0.000 1.425 1253 I CB -0.682 37.277 38.000 -0.069 0.000 1.079 1253 I HN 0.320 nan 8.210 nan 0.000 0.425 1254 A N -2.095 120.599 122.820 -0.210 0.000 2.544 1254 A HA 0.288 4.605 4.320 -0.006 0.000 0.291 1254 A C 0.080 177.308 177.584 -0.594 0.000 1.055 1254 A CA -0.563 51.096 52.037 -0.630 0.000 0.651 1254 A CB -0.198 18.585 19.000 -0.362 0.000 1.296 1254 A HN 0.044 nan 8.150 nan 0.000 0.431 1255 Y N 0.855 120.643 120.300 -0.854 0.000 2.207 1255 Y HA -0.003 4.543 4.550 -0.006 0.000 0.287 1255 Y C 1.999 177.709 175.900 -0.317 0.000 1.156 1255 Y CA 3.038 60.993 58.100 -0.242 0.000 1.182 1255 Y CB 0.003 38.444 38.460 -0.032 0.000 0.979 1255 Y HN 0.734 nan 8.280 nan 0.000 0.521 1256 G N -0.795 107.837 108.800 -0.281 0.000 3.284 1256 G HA2 0.405 4.362 3.960 -0.006 0.000 0.236 1256 G HA3 0.405 4.362 3.960 -0.006 0.000 0.236 1256 G C 0.693 175.387 174.900 -0.343 0.000 1.158 1256 G CA 0.299 45.196 45.100 -0.338 0.000 0.774 1256 G HN 0.802 nan 8.290 nan 0.000 0.545 1257 G N -0.647 107.931 108.800 -0.369 0.000 2.698 1257 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.233 1257 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.233 1257 G C 1.011 175.785 174.900 -0.210 0.000 1.352 1257 G CA -0.191 44.749 45.100 -0.266 0.000 0.879 1257 G HN 0.582 nan 8.290 nan 0.000 0.567 1258 V N 1.502 121.301 119.914 -0.192 0.000 2.343 1258 V HA -0.258 3.858 4.120 -0.006 0.000 0.247 1258 V C 3.098 179.131 176.094 -0.102 0.000 1.051 1258 V CA 3.244 65.362 62.300 -0.304 0.000 1.036 1258 V CB -0.913 30.719 31.823 -0.318 0.000 0.654 1258 V HN 0.893 nan 8.190 nan 0.000 0.451 1259 Q N 0.713 120.584 119.800 0.118 0.000 2.152 1259 Q HA -0.320 4.017 4.340 -0.006 0.000 0.206 1259 Q C 2.123 178.165 176.000 0.070 0.000 0.985 1259 Q CA 2.373 58.306 55.803 0.215 0.000 0.863 1259 Q CB -0.504 28.316 28.738 0.138 0.000 0.904 1259 Q HN 0.801 nan 8.270 nan 0.000 0.422 1260 E N 1.354 121.543 120.200 -0.017 0.000 2.051 1260 E HA -0.167 4.180 4.350 -0.006 0.000 0.189 1260 E C 2.117 178.721 176.600 0.007 0.000 0.979 1260 E CA 0.798 57.184 56.400 -0.023 0.000 0.803 1260 E CB 0.052 29.710 29.700 -0.070 0.000 0.761 1260 E HN 0.344 nan 8.360 nan 0.000 0.451 1261 K N -0.200 120.171 120.400 -0.048 0.000 2.057 1261 K HA -0.091 4.225 4.320 -0.006 0.000 0.207 1261 K C 1.634 178.400 176.600 0.277 0.000 1.049 1261 K CA 1.389 57.685 56.287 0.014 0.000 0.931 1261 K CB -0.130 32.276 32.500 -0.156 0.000 0.714 1261 K HN 0.220 nan 8.250 nan 0.000 0.440 1262 F N 0.058 120.035 119.950 0.045 0.000 2.765 1262 F HA 0.157 4.681 4.527 -0.006 0.000 0.302 1262 F C 1.075 176.907 175.800 0.054 0.000 1.111 1262 F CA -0.126 57.906 58.000 0.053 0.000 1.359 1262 F CB 0.633 39.671 39.000 0.063 0.000 1.097 1262 F HN 0.291 nan 8.300 nan 0.000 0.577 1263 G N 1.876 110.808 108.800 0.220 0.000 2.273 1263 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.280 1263 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.280 1263 G C -0.472 174.496 174.900 0.113 0.000 1.047 1263 G CA 0.037 45.214 45.100 0.128 0.000 0.869 1263 G HN 0.184 nan 8.290 nan 0.000 0.502 1264 V N 0.313 120.317 119.914 0.151 0.000 2.483 1264 V HA 0.587 4.704 4.120 -0.006 0.000 0.297 1264 V C 0.313 176.403 176.094 -0.007 0.000 1.027 1264 V CA -0.413 61.955 62.300 0.113 0.000 0.855 1264 V CB 2.068 34.036 31.823 0.242 0.000 0.995 1264 V HN 0.322 nan 8.190 nan 0.000 0.424 1265 T N 7.883 122.369 114.554 -0.113 0.000 2.743 1265 T HA 0.425 4.771 4.350 -0.006 0.000 0.292 1265 T C -2.279 172.197 174.700 -0.373 0.000 0.972 1265 T CA -0.918 61.046 62.100 -0.226 0.000 0.967 1265 T CB 1.576 70.363 68.868 -0.135 0.000 0.926 1265 T HN 0.514 nan 8.240 nan 0.000 0.459 1266 P HA 0.377 nan 4.420 nan 0.000 0.282 1266 P C -0.048 177.056 177.300 -0.326 0.000 1.287 1266 P CA -0.452 62.268 63.100 -0.633 0.000 0.792 1266 P CB 1.361 32.395 31.700 -1.110 0.000 1.163 1267 D N -1.161 119.102 120.400 -0.228 0.000 2.301 1267 D HA 0.132 4.769 4.640 -0.006 0.000 0.206 1267 D C 0.268 176.477 176.300 -0.152 0.000 0.979 1267 D CA 1.083 54.983 54.000 -0.165 0.000 0.874 1267 D CB 0.258 40.980 40.800 -0.130 0.000 0.968 1267 D HN 0.074 nan 8.370 nan 0.000 0.510 1268 L N -0.138 121.006 121.223 -0.133 0.000 2.466 1268 L HA 0.359 4.696 4.340 -0.006 0.000 0.258 1268 L C -0.487 176.358 176.870 -0.042 0.000 0.973 1268 L CA -0.571 54.225 54.840 -0.074 0.000 0.826 1268 L CB 2.214 44.248 42.059 -0.041 0.000 1.372 1268 L HN -0.159 nan 8.230 nan 0.000 0.409 1269 T N -0.892 113.663 114.554 0.002 0.000 2.916 1269 T HA 0.799 5.146 4.350 -0.006 0.000 0.305 1269 T C -0.652 174.097 174.700 0.081 0.000 1.119 1269 T CA -0.156 61.976 62.100 0.053 0.000 1.008 1269 T CB 1.658 70.552 68.868 0.044 0.000 1.129 1269 T HN 0.739 nan 8.240 nan 0.000 0.480 1270 T N 2.227 116.838 114.554 0.096 0.000 2.895 1270 T HA 0.790 5.137 4.350 -0.006 0.000 0.283 1270 T C -0.290 174.477 174.700 0.111 0.000 1.014 1270 T CA -0.847 61.319 62.100 0.110 0.000 1.037 1270 T CB 0.946 69.859 68.868 0.075 0.000 1.006 1270 T HN 0.668 nan 8.240 nan 0.000 0.468 1271 L N 1.042 122.345 121.223 0.133 0.000 2.350 1271 L HA 0.906 5.243 4.340 -0.006 0.000 0.260 1271 L C 0.567 177.530 176.870 0.154 0.000 1.015 1271 L CA -0.899 54.036 54.840 0.158 0.000 0.821 1271 L CB 2.338 44.522 42.059 0.209 0.000 1.370 1271 L HN 1.081 nan 8.230 nan 0.000 0.416 1272 G N -0.645 108.249 108.800 0.155 0.000 2.500 1272 G HA2 0.340 4.297 3.960 -0.006 0.000 0.299 1272 G HA3 0.340 4.297 3.960 -0.006 0.000 0.299 1272 G C -0.713 174.250 174.900 0.106 0.000 1.242 1272 G CA -0.112 45.062 45.100 0.124 0.000 0.859 1272 G HN 0.534 nan 8.290 nan 0.000 0.481 1273 K N -1.125 119.324 120.400 0.082 0.000 6.999 1273 K HA -0.348 3.968 4.320 -0.006 0.000 0.344 1273 K C 2.094 178.712 176.600 0.030 0.000 0.603 1273 K CA 2.385 58.706 56.287 0.057 0.000 1.181 1273 K CB -1.312 31.212 32.500 0.040 0.000 0.790 1273 K HN 0.365 nan 8.250 nan 0.000 0.953 1274 I N 1.610 122.198 120.570 0.029 0.000 2.248 1274 I HA -0.271 3.896 4.170 -0.006 0.000 0.248 1274 I C 2.368 178.429 176.117 -0.093 0.000 1.107 1274 I CA 1.975 63.269 61.300 -0.010 0.000 1.373 1274 I CB -0.538 37.495 38.000 0.054 0.000 1.055 1274 I HN 0.384 nan 8.210 nan 0.000 0.418 1275 I N -1.579 118.938 120.570 -0.087 0.000 2.916 1275 I HA -0.038 4.129 4.170 -0.006 0.000 0.267 1275 I C 2.096 178.150 176.117 -0.105 0.000 1.263 1275 I CA 1.362 62.564 61.300 -0.163 0.000 1.471 1275 I CB -0.846 37.131 38.000 -0.039 0.000 1.089 1275 I HN 0.089 nan 8.210 nan 0.000 0.468 1276 G N 0.528 109.295 108.800 -0.054 0.000 2.887 1276 G HA2 0.282 4.239 3.960 -0.006 0.000 0.211 1276 G HA3 0.282 4.239 3.960 -0.006 0.000 0.211 1276 G C 1.415 176.285 174.900 -0.049 0.000 1.152 1276 G CA 0.295 45.365 45.100 -0.049 0.000 0.769 1276 G HN 0.652 nan 8.290 nan 0.000 0.541 1277 G N -0.541 108.227 108.800 -0.052 0.000 2.212 1277 G HA2 0.150 4.107 3.960 -0.006 0.000 0.267 1277 G HA3 0.150 4.107 3.960 -0.006 0.000 0.267 1277 G C 1.177 176.078 174.900 0.001 0.000 1.002 1277 G CA 1.321 46.398 45.100 -0.039 0.000 0.729 1277 G HN 1.849 nan 8.290 nan 0.000 0.517 1278 G N -2.863 105.948 108.800 0.019 0.000 2.260 1278 G HA2 0.081 4.037 3.960 -0.006 0.000 0.179 1278 G HA3 0.081 4.037 3.960 -0.006 0.000 0.179 1278 G C 0.039 174.966 174.900 0.045 0.000 1.002 1278 G CA 0.262 45.394 45.100 0.053 0.000 0.677 1278 G HN 1.107 nan 8.290 nan 0.000 0.486 1279 L N 0.912 122.146 121.223 0.018 0.000 2.322 1279 L HA 0.677 5.013 4.340 -0.006 0.000 0.269 1279 L C -2.226 174.651 176.870 0.013 0.000 1.012 1279 L CA -2.290 52.556 54.840 0.010 0.000 0.815 1279 L CB 1.326 43.374 42.059 -0.017 0.000 1.295 1279 L HN -0.195 nan 8.230 nan 0.000 0.438 1280 P HA 0.174 nan 4.420 nan 0.000 0.264 1280 P C -1.316 175.995 177.300 0.018 0.000 1.236 1280 P CA 0.231 63.348 63.100 0.028 0.000 0.811 1280 P CB 0.277 31.995 31.700 0.030 0.000 0.840 1281 V N 3.307 123.240 119.914 0.032 0.000 2.851 1281 V HA 0.817 4.934 4.120 -0.006 0.000 0.307 1281 V C 0.304 176.451 176.094 0.088 0.000 1.129 1281 V CA -0.539 61.785 62.300 0.040 0.000 0.932 1281 V CB 2.433 34.252 31.823 -0.008 0.000 1.024 1281 V HN 0.621 nan 8.190 nan 0.000 0.426 1282 G N 1.659 110.540 108.800 0.136 0.000 2.725 1282 G HA2 1.031 4.987 3.960 -0.006 0.000 0.288 1282 G HA3 1.031 4.987 3.960 -0.006 0.000 0.288 1282 G C -1.253 173.781 174.900 0.224 0.000 1.399 1282 G CA -0.208 44.989 45.100 0.162 0.000 0.859 1282 G HN 1.495 nan 8.290 nan 0.000 0.479 1283 A N -0.784 122.154 122.820 0.197 0.000 2.599 1283 A HA 0.776 5.092 4.320 -0.006 0.000 0.294 1283 A C -1.711 175.958 177.584 0.142 0.000 1.055 1283 A CA -0.672 51.436 52.037 0.118 0.000 0.683 1283 A CB 0.946 19.971 19.000 0.042 0.000 1.278 1283 A HN 2.125 nan 8.150 nan 0.000 0.412 1284 Y N -0.689 119.571 120.300 -0.066 0.000 2.492 1284 Y HA 0.899 5.446 4.550 -0.006 0.000 0.346 1284 Y C 0.089 175.924 175.900 -0.107 0.000 0.997 1284 Y CA -0.441 57.622 58.100 -0.062 0.000 1.025 1284 Y CB 1.455 39.891 38.460 -0.041 0.000 1.263 1284 Y HN 1.547 nan 8.280 nan 0.000 0.454 1285 G N -0.062 108.730 108.800 -0.012 0.000 0.000 1285 G HA2 0.718 4.675 3.960 -0.006 0.000 0.000 1285 G HA3 0.718 4.675 3.960 -0.006 0.000 0.000 1285 G C -0.816 174.050 174.900 -0.056 0.000 0.000 1285 G CA -0.414 44.622 45.100 -0.107 0.000 0.000 1285 G HN 1.612 nan 8.290 nan 0.000 0.000 1286 G N -1.119 107.627 108.800 -0.089 0.000 2.404 1286 G HA2 0.363 4.320 3.960 -0.006 0.000 0.253 1286 G HA3 0.363 4.320 3.960 -0.006 0.000 0.253 1286 G C -1.109 173.726 174.900 -0.108 0.000 1.253 1286 G CA -0.830 44.212 45.100 -0.098 0.000 0.917 1286 G HN 0.644 nan 8.290 nan 0.000 0.480 1287 K N 0.575 120.900 120.400 -0.125 0.000 2.511 1287 K HA 0.094 4.410 4.320 -0.006 0.000 0.280 1287 K C 1.480 178.012 176.600 -0.112 0.000 1.008 1287 K CA 0.118 56.334 56.287 -0.119 0.000 1.050 1287 K CB 1.251 33.665 32.500 -0.142 0.000 0.889 1287 K HN 0.561 nan 8.250 nan 0.000 0.484 1288 R N 2.764 123.216 120.500 -0.080 0.000 2.096 1288 R HA -0.208 4.128 4.340 -0.006 0.000 0.240 1288 R C 1.983 178.252 176.300 -0.051 0.000 1.139 1288 R CA 2.151 58.214 56.100 -0.061 0.000 0.952 1288 R CB 0.035 30.311 30.300 -0.041 0.000 0.854 1288 R HN 0.758 nan 8.270 nan 0.000 0.436 1289 E N 0.369 120.543 120.200 -0.044 0.000 2.265 1289 E HA -0.202 4.144 4.350 -0.006 0.000 0.196 1289 E C 1.854 178.441 176.600 -0.021 0.000 0.996 1289 E CA 1.362 57.763 56.400 0.002 0.000 0.832 1289 E CB -0.248 29.481 29.700 0.049 0.000 0.756 1289 E HN 0.537 nan 8.360 nan 0.000 0.491 1290 I N 0.318 120.770 120.570 -0.196 0.000 2.400 1290 I HA -0.127 4.040 4.170 -0.006 0.000 0.248 1290 I C 2.460 178.515 176.117 -0.102 0.000 1.109 1290 I CA 0.501 61.597 61.300 -0.341 0.000 1.425 1290 I CB -0.243 37.410 38.000 -0.577 0.000 1.094 1290 I HN -0.011 nan 8.210 nan 0.000 0.425 1291 M N 0.369 119.920 119.600 -0.082 0.000 2.446 1291 M HA -0.197 4.280 4.480 -0.006 0.000 0.263 1291 M C 2.164 178.459 176.300 -0.008 0.000 1.066 1291 M CA 1.383 56.662 55.300 -0.036 0.000 1.087 1291 M CB -1.177 31.377 32.600 -0.076 0.000 1.406 1291 M HN 0.223 nan 8.290 nan 0.000 0.459 1292 Q N 0.642 120.443 119.800 0.002 0.000 2.291 1292 Q HA -0.106 4.230 4.340 -0.006 0.000 0.206 1292 Q C 1.542 177.570 176.000 0.047 0.000 0.976 1292 Q CA 1.290 57.107 55.803 0.023 0.000 0.875 1292 Q CB -0.259 28.500 28.738 0.035 0.000 0.927 1292 Q HN 0.404 nan 8.270 nan 0.000 0.450 1293 L N -0.821 120.444 121.223 0.069 0.000 2.395 1293 L HA 0.060 4.396 4.340 -0.006 0.000 0.218 1293 L C 0.158 177.074 176.870 0.076 0.000 1.130 1293 L CA 0.315 55.206 54.840 0.085 0.000 0.826 1293 L CB -0.189 41.943 42.059 0.121 0.000 0.941 1293 L HN -0.067 nan 8.230 nan 0.000 0.451 1294 V N 0.731 120.687 119.914 0.069 0.000 2.572 1294 V HA 0.324 4.440 4.120 -0.006 0.000 0.291 1294 V C 0.922 177.045 176.094 0.049 0.000 1.039 1294 V CA -0.808 61.535 62.300 0.072 0.000 1.055 1294 V CB 0.483 32.352 31.823 0.078 0.000 0.969 1294 V HN 0.248 nan 8.190 nan 0.000 0.482 1295 A N 7.783 130.634 122.820 0.052 0.000 2.445 1295 A HA 0.416 4.733 4.320 -0.006 0.000 0.242 1295 A C -0.677 176.919 177.584 0.020 0.000 1.075 1295 A CA -0.813 51.262 52.037 0.064 0.000 0.777 1295 A CB -0.055 19.023 19.000 0.131 0.000 1.013 1295 A HN 0.795 nan 8.150 nan 0.000 0.493 1296 P HA 0.108 nan 4.420 nan 0.000 0.249 1296 P C 0.930 178.261 177.300 0.053 0.000 1.229 1296 P CA 0.933 64.075 63.100 0.069 0.000 0.788 1296 P CB 0.349 32.090 31.700 0.068 0.000 1.072 1297 A N 0.135 122.977 122.820 0.037 0.000 1.929 1297 A HA 0.310 4.627 4.320 -0.006 0.000 0.216 1297 A C 1.420 179.028 177.584 0.041 0.000 1.176 1297 A CA 1.352 53.407 52.037 0.031 0.000 0.628 1297 A CB -0.909 18.101 19.000 0.017 0.000 0.816 1297 A HN 0.372 nan 8.150 nan 0.000 0.444 1298 G N -2.338 106.493 108.800 0.052 0.000 3.042 1298 G HA2 0.494 4.451 3.960 -0.006 0.000 0.278 1298 G HA3 0.494 4.451 3.960 -0.006 0.000 0.278 1298 G C -2.170 172.775 174.900 0.075 0.000 1.371 1298 G CA -0.351 44.785 45.100 0.060 0.000 1.009 1298 G HN -0.062 nan 8.290 nan 0.000 0.523 1299 P HA 0.015 nan 4.420 nan 0.000 0.233 1299 P C 0.749 178.111 177.300 0.102 0.000 1.167 1299 P CA 0.457 63.604 63.100 0.079 0.000 0.770 1299 P CB 0.363 32.095 31.700 0.054 0.000 0.837 1300 M N 0.786 120.445 119.600 0.098 0.000 2.383 1300 M HA 0.105 4.581 4.480 -0.006 0.000 0.337 1300 M C -0.817 175.559 176.300 0.127 0.000 1.422 1300 M CA -0.745 54.615 55.300 0.100 0.000 1.333 1300 M CB -0.298 32.346 32.600 0.074 0.000 1.488 1300 M HN -0.161 nan 8.290 nan 0.000 0.454 1301 Y N 4.874 125.192 120.300 0.029 0.000 2.436 1301 Y HA 0.135 4.682 4.550 -0.006 0.000 0.336 1301 Y C -0.244 175.678 175.900 0.038 0.000 1.049 1301 Y CA 0.676 58.795 58.100 0.033 0.000 1.294 1301 Y CB 0.297 38.771 38.460 0.023 0.000 1.179 1301 Y HN 0.524 nan 8.280 nan 0.000 0.520 1302 Q N 5.696 125.226 119.800 -0.450 0.000 2.269 1302 Q HA 0.667 5.004 4.340 -0.006 0.000 0.263 1302 Q C -2.075 173.664 176.000 -0.434 0.000 0.983 1302 Q CA -0.556 55.071 55.803 -0.294 0.000 0.777 1302 Q CB 1.643 30.351 28.738 -0.050 0.000 1.273 1302 Q HN 0.843 nan 8.270 nan 0.000 0.440 1303 A N 1.678 124.271 122.820 -0.379 0.000 2.386 1303 A HA 1.029 5.346 4.320 -0.006 0.000 0.308 1303 A C -0.580 176.967 177.584 -0.063 0.000 1.128 1303 A CA -0.212 51.677 52.037 -0.247 0.000 0.789 1303 A CB 2.024 20.881 19.000 -0.239 0.000 1.325 1303 A HN 0.733 nan 8.150 nan 0.000 0.437 1304 G N -0.466 108.324 108.800 -0.017 0.000 2.267 1304 G HA2 0.447 4.403 3.960 -0.006 0.000 0.285 1304 G HA3 0.447 4.403 3.960 -0.006 0.000 0.285 1304 G C 0.171 175.089 174.900 0.031 0.000 1.323 1304 G CA 0.460 45.573 45.100 0.021 0.000 1.306 1304 G HN 0.623 nan 8.290 nan 0.000 0.617 1305 T N 2.569 117.146 114.554 0.037 0.000 2.635 1305 T HA -0.139 4.207 4.350 -0.006 0.000 0.267 1305 T C 2.068 176.787 174.700 0.031 0.000 1.040 1305 T CA 0.900 63.023 62.100 0.039 0.000 1.156 1305 T CB -0.047 68.845 68.868 0.040 0.000 0.863 1305 T HN 0.277 nan 8.240 nan 0.000 0.430 1306 L N 1.346 122.583 121.223 0.023 0.000 2.591 1306 L HA 0.237 4.574 4.340 -0.006 0.000 0.228 1306 L C 0.824 177.693 176.870 -0.001 0.000 1.133 1306 L CA 0.415 55.258 54.840 0.005 0.000 0.880 1306 L CB -1.036 41.024 42.059 0.001 0.000 1.033 1306 L HN 0.148 nan 8.230 nan 0.000 0.450 1307 S N 0.119 115.833 115.700 0.022 0.000 2.549 1307 S HA 0.305 4.772 4.470 -0.006 0.000 0.286 1307 S C 1.295 175.907 174.600 0.020 0.000 1.314 1307 S CA 0.554 58.777 58.200 0.038 0.000 1.062 1307 S CB 0.739 63.981 63.200 0.070 0.000 0.865 1307 S HN 0.620 nan 8.310 nan 0.000 0.498 1308 G N 2.914 111.703 108.800 -0.019 0.000 2.160 1308 G HA2 -0.277 3.680 3.960 -0.006 0.000 0.251 1308 G HA3 -0.277 3.680 3.960 -0.006 0.000 0.251 1308 G C 0.067 174.890 174.900 -0.129 0.000 1.008 1308 G CA 0.086 45.130 45.100 -0.094 0.000 0.724 1308 G HN 0.918 nan 8.290 nan 0.000 0.514 1309 N N 0.405 119.021 118.700 -0.140 0.000 2.454 1309 N HA 0.164 4.901 4.740 -0.006 0.000 0.254 1309 N C -0.581 174.769 175.510 -0.266 0.000 1.228 1309 N CA -0.581 52.345 53.050 -0.207 0.000 0.900 1309 N CB 1.658 40.039 38.487 -0.176 0.000 1.089 1309 N HN 0.183 nan 8.380 nan 0.000 0.449 1310 P HA -0.191 nan 4.420 nan 0.000 0.216 1310 P C 1.695 178.860 177.300 -0.224 0.000 1.150 1310 P CA 1.203 64.102 63.100 -0.336 0.000 0.843 1310 P CB 0.267 31.624 31.700 -0.572 0.000 0.787 1311 L N -0.638 120.456 121.223 -0.214 0.000 2.027 1311 L HA -0.131 4.205 4.340 -0.006 0.000 0.206 1311 L C 2.878 179.672 176.870 -0.126 0.000 1.074 1311 L CA 1.662 56.418 54.840 -0.140 0.000 0.745 1311 L CB -1.182 40.809 42.059 -0.115 0.000 0.898 1311 L HN -0.041 nan 8.230 nan 0.000 0.433 1312 A N -0.300 122.435 122.820 -0.142 0.000 1.877 1312 A HA -0.232 4.084 4.320 -0.006 0.000 0.216 1312 A C 2.291 179.764 177.584 -0.186 0.000 1.186 1312 A CA 1.615 53.568 52.037 -0.141 0.000 0.620 1312 A CB -0.391 18.524 19.000 -0.141 0.000 0.822 1312 A HN 0.279 nan 8.150 nan 0.000 0.443 1313 M N -0.346 119.113 119.600 -0.234 0.000 2.080 1313 M HA -0.121 4.355 4.480 -0.006 0.000 0.260 1313 M C 2.237 178.433 176.300 -0.174 0.000 1.068 1313 M CA 2.159 57.297 55.300 -0.269 0.000 1.109 1313 M CB -2.171 30.271 32.600 -0.263 0.000 1.342 1313 M HN 0.446 nan 8.290 nan 0.000 0.405 1314 T N 1.446 115.922 114.554 -0.131 0.000 2.635 1314 T HA -0.135 4.212 4.350 -0.006 0.000 0.267 1314 T C 1.924 176.573 174.700 -0.085 0.000 1.040 1314 T CA 2.009 64.055 62.100 -0.089 0.000 1.156 1314 T CB -0.448 68.378 68.868 -0.070 0.000 0.863 1314 T HN 0.510 nan 8.240 nan 0.000 0.430 1315 A N 1.318 124.085 122.820 -0.088 0.000 1.877 1315 A HA 0.089 4.406 4.320 -0.006 0.000 0.216 1315 A C 2.650 180.176 177.584 -0.097 0.000 1.186 1315 A CA 1.974 53.966 52.037 -0.076 0.000 0.620 1315 A CB -1.409 17.554 19.000 -0.061 0.000 0.822 1315 A HN 0.526 nan 8.150 nan 0.000 0.443 1316 G N -0.045 108.679 108.800 -0.126 0.000 2.418 1316 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.217 1316 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.217 1316 G C 1.539 176.353 174.900 -0.143 0.000 1.158 1316 G CA 1.119 46.127 45.100 -0.154 0.000 0.771 1316 G HN 0.477 nan 8.290 nan 0.000 0.545 1317 I N 0.374 120.875 120.570 -0.115 0.000 2.142 1317 I HA -0.160 4.006 4.170 -0.006 0.000 0.240 1317 I C 2.689 178.768 176.117 -0.063 0.000 1.078 1317 I CA 1.576 62.831 61.300 -0.075 0.000 1.343 1317 I CB -0.136 37.830 38.000 -0.057 0.000 1.046 1317 I HN 0.106 nan 8.210 nan 0.000 0.405 1318 K N 0.880 121.238 120.400 -0.071 0.000 2.097 1318 K HA -0.144 4.172 4.320 -0.006 0.000 0.206 1318 K C 1.973 178.509 176.600 -0.106 0.000 1.049 1318 K CA 1.918 58.159 56.287 -0.077 0.000 0.933 1318 K CB -0.499 31.956 32.500 -0.074 0.000 0.717 1318 K HN 0.210 nan 8.250 nan 0.000 0.442 1319 T N 1.021 115.507 114.554 -0.113 0.000 2.708 1319 T HA -0.112 4.234 4.350 -0.006 0.000 0.266 1319 T C 1.525 176.179 174.700 -0.078 0.000 1.037 1319 T CA 1.429 63.456 62.100 -0.122 0.000 1.146 1319 T CB -0.213 68.583 68.868 -0.121 0.000 0.865 1319 T HN 0.034 nan 8.240 nan 0.000 0.435 1320 L N 1.097 122.278 121.223 -0.071 0.000 2.093 1320 L HA -0.005 4.332 4.340 -0.006 0.000 0.208 1320 L C 2.475 179.419 176.870 0.124 0.000 1.085 1320 L CA 1.526 56.401 54.840 0.059 0.000 0.755 1320 L CB -0.732 41.326 42.059 -0.001 0.000 0.904 1320 L HN 0.327 nan 8.230 nan 0.000 0.435 1321 E N -0.572 119.646 120.200 0.030 0.000 2.077 1321 E HA -0.214 4.133 4.350 -0.006 0.000 0.193 1321 E C 2.298 178.884 176.600 -0.024 0.000 0.989 1321 E CA 1.045 57.451 56.400 0.009 0.000 0.800 1321 E CB -0.239 29.453 29.700 -0.014 0.000 0.746 1321 E HN 0.436 nan 8.360 nan 0.000 0.452 1322 L N 0.643 121.828 121.223 -0.063 0.000 2.093 1322 L HA -0.169 4.167 4.340 -0.006 0.000 0.208 1322 L C 2.388 179.223 176.870 -0.058 0.000 1.085 1322 L CA 0.772 55.553 54.840 -0.098 0.000 0.755 1322 L CB -0.270 41.657 42.059 -0.221 0.000 0.904 1322 L HN 0.157 nan 8.230 nan 0.000 0.435 1323 L N -0.602 120.621 121.223 -0.000 0.000 2.362 1323 L HA -0.130 4.207 4.340 -0.006 0.000 0.219 1323 L C 2.346 179.226 176.870 0.017 0.000 1.134 1323 L CA 0.776 55.644 54.840 0.047 0.000 0.807 1323 L CB -0.360 41.864 42.059 0.275 0.000 0.927 1323 L HN 0.221 nan 8.230 nan 0.000 0.447 1324 R N -0.801 119.661 120.500 -0.063 0.000 2.310 1324 R HA 0.038 4.374 4.340 -0.006 0.000 0.202 1324 R C 0.385 176.630 176.300 -0.093 0.000 0.933 1324 R CA -0.113 55.876 56.100 -0.186 0.000 1.054 1324 R CB 0.139 30.307 30.300 -0.219 0.000 0.985 1324 R HN 0.310 nan 8.270 nan 0.000 0.489 1325 Q N 1.093 120.859 119.800 -0.056 0.000 2.492 1325 Q HA 0.160 4.496 4.340 -0.006 0.000 0.238 1325 Q C -2.202 173.784 176.000 -0.022 0.000 1.045 1325 Q CA -2.060 53.720 55.803 -0.038 0.000 0.934 1325 Q CB -0.243 28.473 28.738 -0.037 0.000 1.276 1325 Q HN -0.048 nan 8.270 nan 0.000 0.521 1326 P HA 0.073 nan 4.420 nan 0.000 0.267 1326 P C 0.441 177.751 177.300 0.016 0.000 1.205 1326 P CA 0.870 63.974 63.100 0.007 0.000 0.765 1326 P CB 0.325 32.028 31.700 0.004 0.000 0.828 1327 G N 2.074 110.903 108.800 0.048 0.000 2.168 1327 G HA2 -0.328 3.629 3.960 -0.006 0.000 0.263 1327 G HA3 -0.328 3.629 3.960 -0.006 0.000 0.263 1327 G C 1.231 176.181 174.900 0.083 0.000 0.977 1327 G CA 0.764 45.908 45.100 0.073 0.000 0.659 1327 G HN 0.476 nan 8.290 nan 0.000 0.533 1328 T N -0.217 114.354 114.554 0.027 0.000 2.580 1328 T HA -0.194 4.152 4.350 -0.006 0.000 0.265 1328 T C 1.929 176.573 174.700 -0.092 0.000 1.063 1328 T CA 2.192 64.243 62.100 -0.081 0.000 1.170 1328 T CB -0.312 68.414 68.868 -0.236 0.000 0.863 1328 T HN 0.504 nan 8.240 nan 0.000 0.418 1329 Y N 1.262 121.635 120.300 0.122 0.000 2.352 1329 Y HA -0.029 4.518 4.550 -0.005 0.000 0.292 1329 Y C 2.547 178.511 175.900 0.108 0.000 1.136 1329 Y CA 0.740 58.911 58.100 0.120 0.000 1.227 1329 Y CB -0.274 38.252 38.460 0.109 0.000 0.991 1329 Y HN 0.257 nan 8.280 nan 0.000 0.545 1330 E N -0.826 119.508 120.200 0.223 0.000 2.077 1330 E HA -0.225 4.122 4.350 -0.006 0.000 0.193 1330 E C 1.786 178.466 176.600 0.134 0.000 0.989 1330 E CA 1.294 57.790 56.400 0.159 0.000 0.800 1330 E CB -0.566 29.216 29.700 0.138 0.000 0.746 1330 E HN 0.550 nan 8.360 nan 0.000 0.452 1331 Y N 0.856 121.179 120.300 0.038 0.000 2.145 1331 Y HA -0.159 4.388 4.550 -0.006 0.000 0.286 1331 Y C 1.777 177.688 175.900 0.019 0.000 1.145 1331 Y CA 1.388 59.498 58.100 0.018 0.000 1.148 1331 Y CB -0.201 38.259 38.460 -0.001 0.000 0.981 1331 Y HN -0.021 nan 8.280 nan 0.000 0.507 1332 L N -0.115 121.127 121.223 0.030 0.000 2.012 1332 L HA -0.261 4.076 4.340 -0.006 0.000 0.210 1332 L C 2.203 179.034 176.870 -0.066 0.000 1.073 1332 L CA 2.064 56.885 54.840 -0.030 0.000 0.748 1332 L CB -0.684 41.417 42.059 0.070 0.000 0.891 1332 L HN 0.231 nan 8.230 nan 0.000 0.431 1333 D N -0.839 119.566 120.400 0.008 0.000 2.144 1333 D HA -0.243 4.393 4.640 -0.006 0.000 0.199 1333 D C 2.240 178.502 176.300 -0.065 0.000 0.984 1333 D CA 0.942 54.945 54.000 0.005 0.000 0.834 1333 D CB 0.111 40.950 40.800 0.064 0.000 0.955 1333 D HN 0.247 nan 8.370 nan 0.000 0.465 1334 Q N 0.362 120.095 119.800 -0.111 0.000 1.993 1334 Q HA -0.169 4.168 4.340 -0.006 0.000 0.202 1334 Q C 2.454 178.330 176.000 -0.208 0.000 0.984 1334 Q CA 1.983 57.700 55.803 -0.143 0.000 0.837 1334 Q CB -0.304 28.345 28.738 -0.149 0.000 0.902 1334 Q HN 0.617 nan 8.270 nan 0.000 0.423 1335 I N -1.769 118.594 120.570 -0.345 0.000 2.439 1335 I HA -0.093 4.074 4.170 -0.006 0.000 0.251 1335 I C 1.757 177.730 176.117 -0.239 0.000 1.139 1335 I CA 1.451 62.568 61.300 -0.305 0.000 1.438 1335 I CB -0.586 37.175 38.000 -0.399 0.000 1.085 1335 I HN -0.004 nan 8.210 nan 0.000 0.427 1336 T N 1.056 115.479 114.554 -0.219 0.000 2.904 1336 T HA -0.104 4.242 4.350 -0.006 0.000 0.267 1336 T C 1.844 176.404 174.700 -0.234 0.000 1.059 1336 T CA 1.493 63.453 62.100 -0.233 0.000 1.137 1336 T CB -0.140 68.654 68.868 -0.124 0.000 0.879 1336 T HN 0.416 nan 8.240 nan 0.000 0.467 1337 K N 1.196 121.504 120.400 -0.155 0.000 2.057 1337 K HA -0.033 4.284 4.320 -0.006 0.000 0.206 1337 K C 2.501 179.015 176.600 -0.143 0.000 1.050 1337 K CA 0.966 57.182 56.287 -0.118 0.000 0.935 1337 K CB -0.034 32.427 32.500 -0.066 0.000 0.715 1337 K HN 0.115 nan 8.250 nan 0.000 0.439 1338 R N 0.790 121.199 120.500 -0.151 0.000 2.075 1338 R HA -0.058 4.279 4.340 -0.006 0.000 0.232 1338 R C 2.411 178.592 176.300 -0.198 0.000 1.126 1338 R CA 1.054 57.068 56.100 -0.143 0.000 0.963 1338 R CB -0.245 29.981 30.300 -0.123 0.000 0.858 1338 R HN 0.286 nan 8.270 nan 0.000 0.435 1339 L N -0.047 121.009 121.223 -0.278 0.000 1.994 1339 L HA -0.190 4.147 4.340 -0.006 0.000 0.208 1339 L C 2.326 178.926 176.870 -0.449 0.000 1.071 1339 L CA 2.111 56.707 54.840 -0.405 0.000 0.745 1339 L CB -0.617 41.087 42.059 -0.592 0.000 0.892 1339 L HN 0.330 nan 8.230 nan 0.000 0.431 1340 S N -0.331 115.101 115.700 -0.446 0.000 2.359 1340 S HA -0.223 4.243 4.470 -0.006 0.000 0.224 1340 S C 1.561 176.050 174.600 -0.184 0.000 1.035 1340 S CA 1.803 59.806 58.200 -0.329 0.000 1.018 1340 S CB -0.274 62.793 63.200 -0.222 0.000 0.876 1340 S HN 0.502 nan 8.310 nan 0.000 0.448 1341 D N 0.589 120.903 120.400 -0.144 0.000 2.117 1341 D HA -0.016 4.621 4.640 -0.006 0.000 0.197 1341 D C 2.084 178.326 176.300 -0.097 0.000 0.987 1341 D CA 1.284 55.232 54.000 -0.085 0.000 0.829 1341 D CB -1.020 39.739 40.800 -0.069 0.000 0.961 1341 D HN 0.536 nan 8.370 nan 0.000 0.460 1342 G N 0.499 109.213 108.800 -0.144 0.000 2.418 1342 G HA2 -0.200 3.757 3.960 -0.006 0.000 0.217 1342 G HA3 -0.200 3.757 3.960 -0.006 0.000 0.217 1342 G C 1.570 176.368 174.900 -0.170 0.000 1.158 1342 G CA 0.228 45.244 45.100 -0.140 0.000 0.771 1342 G HN 0.156 nan 8.290 nan 0.000 0.545 1343 L N 0.474 121.535 121.223 -0.271 0.000 2.046 1343 L HA 0.057 4.394 4.340 -0.006 0.000 0.208 1343 L C 2.920 179.663 176.870 -0.212 0.000 1.077 1343 L CA 1.163 55.747 54.840 -0.427 0.000 0.747 1343 L CB -0.769 40.836 42.059 -0.756 0.000 0.896 1343 L HN 0.197 nan 8.230 nan 0.000 0.432 1344 L N -1.562 119.646 121.223 -0.025 0.000 2.056 1344 L HA -0.153 4.183 4.340 -0.006 0.000 0.207 1344 L C 2.613 179.526 176.870 0.072 0.000 1.078 1344 L CA 1.049 55.970 54.840 0.134 0.000 0.749 1344 L CB -0.843 41.281 42.059 0.108 0.000 0.901 1344 L HN 0.249 nan 8.230 nan 0.000 0.433 1345 A N 0.527 123.354 122.820 0.012 0.000 1.902 1345 A HA -0.176 4.140 4.320 -0.006 0.000 0.217 1345 A C 2.222 179.819 177.584 0.022 0.000 1.181 1345 A CA 1.513 53.557 52.037 0.011 0.000 0.623 1345 A CB -0.641 18.351 19.000 -0.013 0.000 0.818 1345 A HN 0.337 nan 8.150 nan 0.000 0.443 1346 I N -0.282 120.288 120.570 -0.001 0.000 2.226 1346 I HA -0.280 3.887 4.170 -0.006 0.000 0.245 1346 I C 2.981 179.145 176.117 0.080 0.000 1.100 1346 I CA 0.995 62.303 61.300 0.014 0.000 1.374 1346 I CB -0.347 37.632 38.000 -0.035 0.000 1.057 1346 I HN 0.366 nan 8.210 nan 0.000 0.413 1347 A N 0.168 123.061 122.820 0.121 0.000 1.883 1347 A HA -0.315 4.002 4.320 -0.006 0.000 0.217 1347 A C 2.306 180.011 177.584 0.202 0.000 1.186 1347 A CA 2.102 54.281 52.037 0.237 0.000 0.624 1347 A CB -0.792 18.413 19.000 0.342 0.000 0.822 1347 A HN 0.507 nan 8.150 nan 0.000 0.444 1348 Q N -0.631 119.247 119.800 0.131 0.000 2.050 1348 Q HA -0.235 4.102 4.340 -0.006 0.000 0.202 1348 Q C 2.082 178.125 176.000 0.071 0.000 0.980 1348 Q CA 1.919 57.774 55.803 0.087 0.000 0.840 1348 Q CB -0.198 28.576 28.738 0.060 0.000 0.898 1348 Q HN 0.785 nan 8.270 nan 0.000 0.424 1349 E N -0.745 119.495 120.200 0.067 0.000 2.153 1349 E HA -0.144 4.203 4.350 -0.006 0.000 0.194 1349 E C 1.190 177.830 176.600 0.066 0.000 0.988 1349 E CA 1.553 57.984 56.400 0.051 0.000 0.811 1349 E CB 0.129 29.852 29.700 0.039 0.000 0.746 1349 E HN 0.550 nan 8.360 nan 0.000 0.466 1350 T N -3.301 111.324 114.554 0.119 0.000 3.144 1350 T HA 0.286 4.633 4.350 -0.006 0.000 0.249 1350 T C 1.217 175.974 174.700 0.094 0.000 1.089 1350 T CA 0.300 62.497 62.100 0.162 0.000 0.989 1350 T CB 0.632 69.665 68.868 0.275 0.000 0.992 1350 T HN 0.252 nan 8.240 nan 0.000 0.540 1351 G N 1.363 110.183 108.800 0.033 0.000 2.147 1351 G HA2 -0.215 3.742 3.960 -0.006 0.000 0.244 1351 G HA3 -0.215 3.742 3.960 -0.006 0.000 0.244 1351 G C -0.362 174.397 174.900 -0.235 0.000 1.005 1351 G CA -0.089 44.948 45.100 -0.105 0.000 0.713 1351 G HN 0.756 nan 8.290 nan 0.000 0.515 1352 H N 0.082 119.190 119.070 0.063 0.000 2.481 1352 H HA 0.671 5.223 4.556 -0.006 0.000 0.333 1352 H C 0.662 176.050 175.328 0.100 0.000 1.066 1352 H CA 0.128 56.226 56.048 0.084 0.000 1.209 1352 H CB 1.642 31.490 29.762 0.144 0.000 1.445 1352 H HN 0.567 nan 8.280 nan 0.000 0.488 1353 A N 2.646 125.563 122.820 0.161 0.000 2.520 1353 A HA 0.567 4.883 4.320 -0.006 0.000 0.245 1353 A C 0.006 177.651 177.584 0.102 0.000 1.072 1353 A CA 0.588 52.684 52.037 0.099 0.000 0.761 1353 A CB -0.410 18.624 19.000 0.057 0.000 1.004 1353 A HN 0.858 nan 8.150 nan 0.000 0.499 1354 A N 1.138 123.961 122.820 0.005 0.000 2.608 1354 A HA 0.710 5.026 4.320 -0.006 0.000 0.292 1354 A C -0.463 177.045 177.584 -0.128 0.000 1.066 1354 A CA 0.012 51.943 52.037 -0.177 0.000 0.676 1354 A CB 0.563 19.367 19.000 -0.328 0.000 1.277 1354 A HN 2.570 nan 8.150 nan 0.000 0.413 1355 C N -0.912 118.277 119.300 -0.184 0.000 3.318 1355 C HA 1.086 5.543 4.460 -0.006 0.000 0.322 1355 C C 0.303 175.345 174.990 0.086 0.000 1.398 1355 C CA 0.144 59.147 59.018 -0.025 0.000 1.339 1355 C CB 1.174 28.895 27.740 -0.031 0.000 1.668 1355 C HN 2.785 nan 8.230 nan 0.000 0.462 1356 G N -0.672 108.234 108.800 0.177 0.000 2.335 1356 G HA2 0.912 4.868 3.960 -0.006 0.000 0.291 1356 G HA3 0.912 4.868 3.960 -0.006 0.000 0.291 1356 G C -0.568 174.477 174.900 0.242 0.000 1.261 1356 G CA 0.251 45.523 45.100 0.287 0.000 0.871 1356 G HN 2.684 nan 8.290 nan 0.000 0.491 1357 G N -1.530 107.410 108.800 0.233 0.000 2.320 1357 G HA2 0.785 4.741 3.960 -0.006 0.000 0.296 1357 G HA3 0.785 4.741 3.960 -0.006 0.000 0.296 1357 G C -1.702 173.194 174.900 -0.006 0.000 1.306 1357 G CA 0.830 46.045 45.100 0.191 0.000 0.836 1357 G HN 1.893 nan 8.290 nan 0.000 0.517 1358 Q N -1.911 117.898 119.800 0.015 0.000 2.527 1358 Q HA 0.701 5.037 4.340 -0.006 0.000 0.280 1358 Q C -1.784 174.268 176.000 0.088 0.000 0.977 1358 Q CA -0.958 54.728 55.803 -0.195 0.000 0.837 1358 Q CB 1.979 30.634 28.738 -0.137 0.000 1.454 1358 Q HN 1.130 nan 8.270 nan 0.000 0.387 1359 V N 1.655 121.647 119.914 0.131 0.000 2.569 1359 V HA 0.726 4.843 4.120 -0.006 0.000 0.301 1359 V C 0.303 176.496 176.094 0.165 0.000 1.044 1359 V CA 0.273 62.713 62.300 0.234 0.000 0.874 1359 V CB 0.966 33.016 31.823 0.379 0.000 1.002 1359 V HN 1.106 nan 8.190 nan 0.000 0.424 1360 S N 4.202 119.988 115.700 0.143 0.000 3.469 1360 S HA -0.207 4.260 4.470 -0.006 0.000 0.628 1360 S C 1.303 175.978 174.600 0.125 0.000 2.687 1360 S CA 1.503 59.798 58.200 0.159 0.000 3.829 1360 S CB -1.224 62.110 63.200 0.223 0.000 0.258 1360 S HN 2.095 nan 8.310 nan 0.000 1.222 1361 G N 1.003 109.902 108.800 0.166 0.000 3.474 1361 G HA2 0.452 4.409 3.960 -0.006 0.000 0.269 1361 G HA3 0.452 4.409 3.960 -0.006 0.000 0.269 1361 G C -0.095 174.935 174.900 0.216 0.000 1.339 1361 G CA 0.447 45.639 45.100 0.153 0.000 1.258 1361 G HN 0.637 nan 8.290 nan 0.000 0.560 1362 M N 0.923 120.609 119.600 0.143 0.000 2.263 1362 M HA 0.664 5.141 4.480 -0.006 0.000 0.295 1362 M C -1.407 174.648 176.300 -0.409 0.000 1.028 1362 M CA -1.126 54.186 55.300 0.020 0.000 0.921 1362 M CB 1.750 34.484 32.600 0.223 0.000 1.601 1362 M HN 0.141 nan 8.290 nan 0.000 0.440 1363 F N 2.035 121.543 119.950 -0.737 0.000 2.726 1363 F HA 1.051 5.575 4.527 -0.006 0.000 0.324 1363 F C -0.756 174.567 175.800 -0.796 0.000 1.140 1363 F CA -0.774 56.635 58.000 -0.986 0.000 0.964 1363 F CB 1.370 40.055 39.000 -0.524 0.000 1.399 1363 F HN 0.562 nan 8.300 nan 0.000 0.491 1364 G N 0.084 108.669 108.800 -0.359 0.000 2.718 1364 G HA2 0.587 4.544 3.960 -0.006 0.000 0.295 1364 G HA3 0.587 4.544 3.960 -0.006 0.000 0.295 1364 G C -2.788 172.086 174.900 -0.042 0.000 1.421 1364 G CA -0.773 44.160 45.100 -0.279 0.000 0.902 1364 G HN 0.927 nan 8.290 nan 0.000 0.501 1365 F N 1.497 121.161 119.950 -0.478 0.000 2.653 1365 F HA 0.734 5.258 4.527 -0.006 0.000 0.327 1365 F C -1.859 173.603 175.800 -0.564 0.000 1.195 1365 F CA -1.594 56.193 58.000 -0.354 0.000 0.993 1365 F CB 1.183 40.034 39.000 -0.249 0.000 1.259 1365 F HN 0.343 nan 8.300 nan 0.000 0.478 1366 F N 5.174 124.664 119.950 -0.767 0.000 2.492 1366 F HA 0.475 4.998 4.527 -0.005 0.000 0.327 1366 F C -0.442 174.839 175.800 -0.864 0.000 1.079 1366 F CA -0.928 56.670 58.000 -0.671 0.000 0.967 1366 F CB 1.282 40.069 39.000 -0.355 0.000 1.169 1366 F HN 0.278 nan 8.300 nan 0.000 0.472 1367 F N 1.580 121.395 119.950 -0.225 0.000 2.573 1367 F HA 0.399 4.923 4.527 -0.006 0.000 0.349 1367 F C 0.403 176.139 175.800 -0.106 0.000 1.213 1367 F CA -0.051 57.824 58.000 -0.207 0.000 1.300 1367 F CB 0.316 39.259 39.000 -0.096 0.000 1.661 1367 F HN 0.422 nan 8.300 nan 0.000 0.616 1368 T N -0.030 114.533 114.554 0.015 0.000 2.977 1368 T HA 0.074 4.420 4.350 -0.006 0.000 0.345 1368 T C 0.671 175.344 174.700 -0.045 0.000 1.562 1368 T CA -0.582 61.514 62.100 -0.007 0.000 1.090 1368 T CB 1.168 70.009 68.868 -0.046 0.000 1.383 1368 T HN 0.621 nan 8.240 nan 0.000 0.484 1369 E N 2.326 122.509 120.200 -0.029 0.000 2.204 1369 E HA 0.256 4.602 4.350 -0.006 0.000 0.194 1369 E C 1.299 177.870 176.600 -0.048 0.000 0.989 1369 E CA 1.086 57.468 56.400 -0.029 0.000 0.824 1369 E CB -0.539 29.152 29.700 -0.015 0.000 0.756 1369 E HN 1.218 nan 8.360 nan 0.000 0.477 1370 G N 1.910 110.667 108.800 -0.072 0.000 2.564 1370 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.273 1370 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.273 1370 G C -1.924 172.957 174.900 -0.031 0.000 1.242 1370 G CA 0.264 45.312 45.100 -0.087 0.000 0.951 1370 G HN 0.450 nan 8.290 nan 0.000 0.564 1371 P HA 0.469 nan 4.420 nan 0.000 0.273 1371 P C -0.403 176.872 177.300 -0.042 0.000 1.250 1371 P CA -0.243 62.848 63.100 -0.015 0.000 0.793 1371 P CB 0.896 32.635 31.700 0.065 0.000 1.011 1372 V N 2.050 121.839 119.914 -0.209 0.000 2.328 1372 V HA 0.140 4.257 4.120 -0.006 0.000 0.278 1372 V C 0.564 176.504 176.094 -0.257 0.000 1.021 1372 V CA -0.007 62.118 62.300 -0.292 0.000 0.838 1372 V CB 0.292 31.682 31.823 -0.723 0.000 0.999 1372 V HN 0.608 nan 8.190 nan 0.000 0.447 1373 H N 2.623 121.607 119.070 -0.144 0.000 2.874 1373 H HA 0.301 4.854 4.556 -0.006 0.000 0.264 1373 H C 0.729 176.025 175.328 -0.053 0.000 1.007 1373 H CA 0.201 56.191 56.048 -0.096 0.000 1.207 1373 H CB 0.538 30.240 29.762 -0.099 0.000 1.487 1373 H HN 0.782 nan 8.280 nan 0.000 0.505 1374 N N -2.061 116.671 118.700 0.054 0.000 3.106 1374 N HA -0.070 4.667 4.740 -0.006 0.000 0.253 1374 N C -0.083 175.481 175.510 0.091 0.000 1.506 1374 N CA -0.632 52.467 53.050 0.081 0.000 0.876 1374 N CB 1.044 39.593 38.487 0.103 0.000 1.452 1374 N HN -0.123 nan 8.380 nan 0.000 0.542 1375 Y N 0.515 120.806 120.300 -0.015 0.000 2.207 1375 Y HA -0.145 4.402 4.550 -0.006 0.000 0.287 1375 Y C 2.401 178.285 175.900 -0.026 0.000 1.156 1375 Y CA 2.220 60.304 58.100 -0.027 0.000 1.182 1375 Y CB -0.291 38.149 38.460 -0.033 0.000 0.979 1375 Y HN 0.801 nan 8.280 nan 0.000 0.521 1376 E N -0.292 119.868 120.200 -0.066 0.000 2.051 1376 E HA -0.229 4.118 4.350 -0.006 0.000 0.192 1376 E C 1.661 178.180 176.600 -0.134 0.000 0.991 1376 E CA 1.628 57.929 56.400 -0.165 0.000 0.799 1376 E CB -0.118 29.538 29.700 -0.074 0.000 0.748 1376 E HN 0.475 nan 8.360 nan 0.000 0.449 1377 D N 0.460 120.808 120.400 -0.086 0.000 2.104 1377 D HA -0.171 4.466 4.640 -0.006 0.000 0.194 1377 D C 1.867 178.078 176.300 -0.148 0.000 0.994 1377 D CA 1.444 55.380 54.000 -0.108 0.000 0.830 1377 D CB -0.447 40.293 40.800 -0.101 0.000 0.959 1377 D HN 0.318 nan 8.370 nan 0.000 0.452 1378 A N 0.986 123.725 122.820 -0.135 0.000 1.933 1378 A HA -0.199 4.118 4.320 -0.006 0.000 0.218 1378 A C 1.961 179.643 177.584 0.163 0.000 1.175 1378 A CA 1.391 53.391 52.037 -0.062 0.000 0.628 1378 A CB -0.456 18.673 19.000 0.215 0.000 0.814 1378 A HN 0.157 nan 8.150 nan 0.000 0.444 1379 K N -0.124 120.307 120.400 0.053 0.000 2.574 1379 K HA -0.022 4.295 4.320 -0.006 0.000 0.193 1379 K C 1.283 177.906 176.600 0.039 0.000 1.035 1379 K CA 0.753 57.075 56.287 0.058 0.000 0.982 1379 K CB 0.014 32.342 32.500 -0.285 0.000 0.795 1379 K HN 0.445 nan 8.250 nan 0.000 0.491 1380 K N 0.347 120.745 120.400 -0.004 0.000 2.426 1380 K HA 0.079 4.396 4.320 -0.006 0.000 0.193 1380 K C 0.178 176.786 176.600 0.014 0.000 1.028 1380 K CA 0.056 56.336 56.287 -0.013 0.000 1.047 1380 K CB 0.397 32.871 32.500 -0.044 0.000 0.821 1380 K HN -0.049 nan 8.250 nan 0.000 0.513 1381 S N 2.222 117.942 115.700 0.033 0.000 2.558 1381 S HA -0.072 4.395 4.470 -0.006 0.000 0.288 1381 S C 0.077 174.719 174.600 0.070 0.000 1.318 1381 S CA -0.140 58.089 58.200 0.048 0.000 1.056 1381 S CB 0.464 63.669 63.200 0.008 0.000 0.853 1381 S HN 0.172 nan 8.310 nan 0.000 0.505 1382 D N 2.481 122.946 120.400 0.108 0.000 2.416 1382 D HA 0.080 4.716 4.640 -0.006 0.000 0.240 1382 D C 0.754 177.125 176.300 0.118 0.000 1.250 1382 D CA -0.384 53.667 54.000 0.084 0.000 0.967 1382 D CB 0.112 40.937 40.800 0.042 0.000 1.059 1382 D HN 0.220 nan 8.370 nan 0.000 0.512 1383 L N 3.181 124.465 121.223 0.101 0.000 2.131 1383 L HA -0.163 4.174 4.340 -0.006 0.000 0.210 1383 L C 2.372 179.338 176.870 0.159 0.000 1.092 1383 L CA 1.496 56.415 54.840 0.132 0.000 0.759 1383 L CB -0.570 41.554 42.059 0.109 0.000 0.903 1383 L HN 0.511 nan 8.230 nan 0.000 0.435 1384 Q N -0.850 119.005 119.800 0.090 0.000 2.119 1384 Q HA -0.237 4.099 4.340 -0.006 0.000 0.201 1384 Q C 2.216 178.232 176.000 0.026 0.000 0.972 1384 Q CA 1.304 57.143 55.803 0.060 0.000 0.847 1384 Q CB -0.069 28.689 28.738 0.033 0.000 0.903 1384 Q HN 0.476 nan 8.270 nan 0.000 0.433 1385 K N 0.306 120.687 120.400 -0.032 0.000 2.103 1385 K HA -0.144 4.172 4.320 -0.006 0.000 0.204 1385 K C 1.892 178.397 176.600 -0.158 0.000 1.052 1385 K CA 0.733 56.896 56.287 -0.207 0.000 0.945 1385 K CB -0.131 32.092 32.500 -0.462 0.000 0.722 1385 K HN 0.062 nan 8.250 nan 0.000 0.443 1386 F N 1.299 121.241 119.950 -0.013 0.000 2.134 1386 F HA -0.208 4.315 4.527 -0.006 0.000 0.299 1386 F C 2.473 178.414 175.800 0.234 0.000 1.097 1386 F CA 1.817 60.007 58.000 0.317 0.000 1.264 1386 F CB -0.694 38.466 39.000 0.267 0.000 1.001 1386 F HN 0.034 nan 8.300 nan 0.000 0.479 1387 S N 0.179 115.950 115.700 0.118 0.000 2.370 1387 S HA -0.208 4.259 4.470 -0.006 0.000 0.226 1387 S C 2.243 176.817 174.600 -0.043 0.000 1.033 1387 S CA 1.522 59.724 58.200 0.004 0.000 1.011 1387 S CB -0.316 62.925 63.200 0.068 0.000 0.852 1387 S HN 0.490 nan 8.310 nan 0.000 0.457 1388 R N -0.797 119.691 120.500 -0.020 0.000 2.073 1388 R HA -0.001 4.336 4.340 -0.006 0.000 0.229 1388 R C 2.133 178.416 176.300 -0.028 0.000 1.120 1388 R CA 1.461 57.547 56.100 -0.023 0.000 0.967 1388 R CB -0.634 29.650 30.300 -0.026 0.000 0.862 1388 R HN 0.535 nan 8.270 nan 0.000 0.436 1389 F N 1.685 121.528 119.950 -0.179 0.000 2.095 1389 F HA -0.276 4.248 4.527 -0.005 0.000 0.298 1389 F C 2.510 178.181 175.800 -0.215 0.000 1.104 1389 F CA 1.792 59.706 58.000 -0.144 0.000 1.232 1389 F CB -0.574 38.463 39.000 0.061 0.000 0.987 1389 F HN 0.096 nan 8.300 nan 0.000 0.475 1390 H N 0.196 118.934 119.070 -0.553 0.000 2.290 1390 H HA -0.178 4.375 4.556 -0.006 0.000 0.298 1390 H C 2.417 177.483 175.328 -0.437 0.000 1.087 1390 H CA 2.017 57.661 56.048 -0.673 0.000 1.291 1390 H CB -0.206 29.113 29.762 -0.740 0.000 1.369 1390 H HN 0.125 nan 8.280 nan 0.000 0.492 1391 R N 0.698 121.113 120.500 -0.141 0.000 2.081 1391 R HA -0.052 4.285 4.340 -0.006 0.000 0.235 1391 R C 2.706 178.871 176.300 -0.224 0.000 1.131 1391 R CA 1.574 57.623 56.100 -0.085 0.000 0.960 1391 R CB -1.314 28.995 30.300 0.016 0.000 0.856 1391 R HN 0.462 nan 8.270 nan 0.000 0.436 1392 G N -0.010 108.644 108.800 -0.244 0.000 2.418 1392 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.217 1392 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.217 1392 G C 1.313 176.004 174.900 -0.348 0.000 1.158 1392 G CA 0.890 45.838 45.100 -0.252 0.000 0.771 1392 G HN 0.201 nan 8.290 nan 0.000 0.545 1393 M N -0.202 119.097 119.600 -0.502 0.000 2.132 1393 M HA 0.069 4.545 4.480 -0.006 0.000 0.263 1393 M C 2.506 178.598 176.300 -0.346 0.000 1.065 1393 M CA 0.683 55.684 55.300 -0.499 0.000 1.122 1393 M CB -1.075 31.071 32.600 -0.756 0.000 1.365 1393 M HN 0.164 nan 8.290 nan 0.000 0.411 1394 L N 0.769 121.774 121.223 -0.363 0.000 2.013 1394 L HA -0.198 4.138 4.340 -0.006 0.000 0.212 1394 L C 2.230 178.871 176.870 -0.381 0.000 1.073 1394 L CA 1.917 56.677 54.840 -0.135 0.000 0.753 1394 L CB -0.942 41.079 42.059 -0.062 0.000 0.890 1394 L HN 0.369 nan 8.230 nan 0.000 0.432 1395 E N -1.342 118.446 120.200 -0.686 0.000 2.204 1395 E HA -0.205 4.142 4.350 -0.006 0.000 0.195 1395 E C 1.692 178.012 176.600 -0.468 0.000 0.990 1395 E CA 0.633 56.472 56.400 -0.935 0.000 0.821 1395 E CB 0.004 29.325 29.700 -0.631 0.000 0.750 1395 E HN 0.489 nan 8.360 nan 0.000 0.477 1396 Q N -0.703 118.910 119.800 -0.311 0.000 2.360 1396 Q HA 0.079 4.416 4.340 -0.006 0.000 0.202 1396 Q C 0.899 176.805 176.000 -0.158 0.000 0.915 1396 Q CA 0.666 56.351 55.803 -0.197 0.000 0.943 1396 Q CB 1.258 29.897 28.738 -0.165 0.000 1.064 1396 Q HN 0.391 nan 8.270 nan 0.000 0.511 1397 G N 1.069 109.764 108.800 -0.175 0.000 2.142 1397 G HA2 -0.178 3.778 3.960 -0.006 0.000 0.225 1397 G HA3 -0.178 3.778 3.960 -0.006 0.000 0.225 1397 G C -0.103 174.821 174.900 0.041 0.000 1.015 1397 G CA -0.277 44.725 45.100 -0.163 0.000 0.716 1397 G HN 0.206 nan 8.290 nan 0.000 0.508 1398 I N 0.174 120.815 120.570 0.117 0.000 2.436 1398 I HA 0.393 4.560 4.170 -0.006 0.000 0.289 1398 I C -0.516 175.726 176.117 0.208 0.000 1.010 1398 I CA -1.791 59.613 61.300 0.174 0.000 1.098 1398 I CB 1.495 39.514 38.000 0.031 0.000 1.266 1398 I HN 0.134 nan 8.210 nan 0.000 0.434 1399 Y N 7.116 127.503 120.300 0.145 0.000 2.434 1399 Y HA 0.552 5.099 4.550 -0.005 0.000 0.341 1399 Y C -0.670 175.270 175.900 0.067 0.000 0.965 1399 Y CA -0.306 57.795 58.100 0.001 0.000 1.205 1399 Y CB 0.815 39.234 38.460 -0.068 0.000 1.121 1399 Y HN 0.416 nan 8.280 nan 0.000 0.507 1400 L N 4.510 125.499 121.223 -0.389 0.000 2.358 1400 L HA 0.736 5.072 4.340 -0.006 0.000 0.268 1400 L C 0.279 177.007 176.870 -0.235 0.000 1.032 1400 L CA -1.562 53.170 54.840 -0.181 0.000 0.805 1400 L CB 1.193 43.182 42.059 -0.118 0.000 1.253 1400 L HN 0.634 nan 8.230 nan 0.000 0.452 1401 A N 2.058 124.798 122.820 -0.133 0.000 2.520 1401 A HA 0.232 4.548 4.320 -0.006 0.000 0.245 1401 A C -1.940 175.634 177.584 -0.015 0.000 1.072 1401 A CA -0.782 51.157 52.037 -0.162 0.000 0.761 1401 A CB -0.509 18.397 19.000 -0.156 0.000 1.004 1401 A HN 0.500 nan 8.150 nan 0.000 0.499 1402 P HA 0.115 nan 4.420 nan 0.000 0.228 1402 P C -0.395 176.791 177.300 -0.191 0.000 1.748 1402 P CA 0.470 63.215 63.100 -0.591 0.000 0.909 1402 P CB -0.216 30.943 31.700 -0.902 0.000 1.882 1403 S N 0.390 116.115 115.700 0.042 0.000 2.578 1403 S HA 0.160 4.627 4.470 -0.006 0.000 0.285 1403 S C 0.566 174.790 174.600 -0.626 0.000 1.126 1403 S CA -0.437 57.699 58.200 -0.108 0.000 0.878 1403 S CB 1.554 64.756 63.200 0.004 0.000 1.091 1403 S HN -0.007 nan 8.310 nan 0.000 0.450 1404 Q N 2.546 121.599 119.800 -1.245 0.000 2.369 1404 Q HA 0.267 4.604 4.340 -0.006 0.000 0.206 1404 Q C -0.004 175.342 176.000 -1.091 0.000 0.963 1404 Q CA 1.649 56.441 55.803 -1.686 0.000 0.894 1404 Q CB -0.222 27.531 28.738 -1.643 0.000 0.965 1404 Q HN 0.736 nan 8.270 nan 0.000 0.475 1405 F N 0.938 120.724 119.950 -0.273 0.000 2.819 1405 F HA 0.389 4.912 4.527 -0.006 0.000 0.294 1405 F C -0.126 175.611 175.800 -0.104 0.000 1.166 1405 F CA -0.425 57.510 58.000 -0.109 0.000 1.374 1405 F CB 0.480 39.475 39.000 -0.009 0.000 0.956 1405 F HN -0.148 nan 8.300 nan 0.000 0.509 1406 E N 1.081 121.235 120.200 -0.078 0.000 2.246 1406 E HA 0.526 4.873 4.350 -0.006 0.000 0.266 1406 E C -0.511 175.951 176.600 -0.230 0.000 0.880 1406 E CA -0.594 55.792 56.400 -0.024 0.000 0.762 1406 E CB 2.266 32.063 29.700 0.163 0.000 1.180 1406 E HN 0.119 nan 8.360 nan 0.000 0.416 1407 A N 2.132 124.789 122.820 -0.273 0.000 2.425 1407 A HA 0.577 4.894 4.320 -0.006 0.000 0.242 1407 A C 0.644 177.593 177.584 -1.058 0.000 1.077 1407 A CA 0.406 52.111 52.037 -0.553 0.000 0.781 1407 A CB 0.375 19.175 19.000 -0.332 0.000 1.020 1407 A HN 0.540 nan 8.150 nan 0.000 0.494 1408 G N -0.697 107.248 108.800 -1.425 0.000 2.462 1408 G HA2 0.617 4.573 3.960 -0.006 0.000 0.319 1408 G HA3 0.617 4.573 3.960 -0.006 0.000 0.319 1408 G C -0.869 173.193 174.900 -1.398 0.000 1.171 1408 G CA -0.547 43.624 45.100 -1.548 0.000 0.920 1408 G HN 0.506 nan 8.290 nan 0.000 0.499 1409 F N -0.474 119.371 119.950 -0.174 0.000 2.576 1409 F HA 0.570 5.093 4.527 -0.006 0.000 0.313 1409 F C 0.669 176.549 175.800 0.134 0.000 1.078 1409 F CA -0.863 57.148 58.000 0.017 0.000 0.921 1409 F CB 2.862 41.855 39.000 -0.012 0.000 1.232 1409 F HN 0.647 nan 8.300 nan 0.000 0.459 1410 T N -1.503 113.193 114.554 0.238 0.000 2.938 1410 T HA 0.850 5.196 4.350 -0.006 0.000 0.285 1410 T C -0.407 174.235 174.700 -0.096 0.000 1.028 1410 T CA -0.705 61.307 62.100 -0.147 0.000 1.005 1410 T CB 1.780 70.572 68.868 -0.128 0.000 1.157 1410 T HN 0.766 nan 8.240 nan 0.000 0.550 1411 S N -0.251 115.376 115.700 -0.122 0.000 2.651 1411 S HA 0.481 4.947 4.470 -0.006 0.000 0.279 1411 S C 0.800 175.529 174.600 0.215 0.000 1.148 1411 S CA -1.147 57.121 58.200 0.114 0.000 0.837 1411 S CB 0.797 64.086 63.200 0.148 0.000 1.138 1411 S HN 0.651 nan 8.310 nan 0.000 0.478 1412 L N 0.583 121.902 121.223 0.160 0.000 2.362 1412 L HA 0.047 4.383 4.340 -0.006 0.000 0.219 1412 L C 2.603 179.544 176.870 0.118 0.000 1.134 1412 L CA 1.332 56.272 54.840 0.166 0.000 0.807 1412 L CB -0.797 41.286 42.059 0.041 0.000 0.927 1412 L HN 0.915 nan 8.230 nan 0.000 0.447 1413 A N -1.740 121.141 122.820 0.103 0.000 2.169 1413 A HA -0.027 4.289 4.320 -0.006 0.000 0.212 1413 A C 0.371 177.925 177.584 -0.048 0.000 1.153 1413 A CA 0.086 52.113 52.037 -0.017 0.000 0.756 1413 A CB -0.527 18.410 19.000 -0.104 0.000 0.813 1413 A HN 0.311 nan 8.150 nan 0.000 0.471 1414 H N 1.234 120.291 119.070 -0.020 0.000 2.848 1414 H HA 0.334 4.887 4.556 -0.005 0.000 0.317 1414 H C 1.029 176.427 175.328 0.117 0.000 1.046 1414 H CA 0.956 56.986 56.048 -0.030 0.000 1.470 1414 H CB 0.664 30.415 29.762 -0.017 0.000 1.483 1414 H HN 0.363 nan 8.280 nan 0.000 0.548 1415 T N -0.353 114.286 114.554 0.142 0.000 2.862 1415 T HA 0.130 4.477 4.350 -0.006 0.000 0.276 1415 T C 1.348 176.147 174.700 0.166 0.000 0.974 1415 T CA -0.868 61.339 62.100 0.179 0.000 0.966 1415 T CB 1.350 70.279 68.868 0.100 0.000 1.072 1415 T HN 0.532 nan 8.240 nan 0.000 0.538 1416 E N 0.201 120.491 120.200 0.150 0.000 2.110 1416 E HA -0.088 4.258 4.350 -0.006 0.000 0.193 1416 E C 1.933 178.575 176.600 0.070 0.000 0.988 1416 E CA 1.282 57.736 56.400 0.090 0.000 0.804 1416 E CB -0.296 29.452 29.700 0.079 0.000 0.745 1416 E HN 0.751 nan 8.360 nan 0.000 0.458 1417 E N 0.570 120.815 120.200 0.076 0.000 2.077 1417 E HA -0.163 4.184 4.350 -0.006 0.000 0.193 1417 E C 1.674 178.322 176.600 0.080 0.000 0.989 1417 E CA 1.360 57.799 56.400 0.065 0.000 0.800 1417 E CB -0.255 29.484 29.700 0.065 0.000 0.746 1417 E HN 0.297 nan 8.360 nan 0.000 0.452 1418 D N 0.072 120.536 120.400 0.106 0.000 2.123 1418 D HA -0.143 4.493 4.640 -0.006 0.000 0.196 1418 D C 1.827 178.222 176.300 0.158 0.000 0.992 1418 D CA 0.789 54.869 54.000 0.133 0.000 0.833 1418 D CB -0.079 40.771 40.800 0.084 0.000 0.954 1418 D HN 0.139 nan 8.370 nan 0.000 0.455 1419 I N 1.516 122.165 120.570 0.133 0.000 2.252 1419 I HA -0.192 3.975 4.170 -0.006 0.000 0.245 1419 I C 1.826 177.957 176.117 0.024 0.000 1.102 1419 I CA 1.116 62.465 61.300 0.082 0.000 1.385 1419 I CB -0.948 37.058 38.000 0.010 0.000 1.064 1419 I HN -0.067 nan 8.210 nan 0.000 0.414 1420 D N 1.368 121.782 120.400 0.023 0.000 2.104 1420 D HA -0.153 4.484 4.640 -0.006 0.000 0.194 1420 D C 2.278 178.581 176.300 0.004 0.000 0.994 1420 D CA 1.790 55.792 54.000 0.003 0.000 0.830 1420 D CB -0.112 40.694 40.800 0.011 0.000 0.959 1420 D HN 0.309 nan 8.370 nan 0.000 0.452 1421 A N 0.259 123.096 122.820 0.028 0.000 1.933 1421 A HA -0.162 4.155 4.320 -0.006 0.000 0.218 1421 A C 2.360 179.954 177.584 0.017 0.000 1.175 1421 A CA 2.130 54.180 52.037 0.022 0.000 0.628 1421 A CB -0.834 18.189 19.000 0.038 0.000 0.814 1421 A HN 0.241 nan 8.150 nan 0.000 0.444 1422 T N 0.454 115.035 114.554 0.045 0.000 2.777 1422 T HA -0.057 4.290 4.350 -0.006 0.000 0.266 1422 T C 1.776 176.433 174.700 -0.072 0.000 1.040 1422 T CA 1.432 63.542 62.100 0.016 0.000 1.141 1422 T CB -0.345 68.556 68.868 0.055 0.000 0.868 1422 T HN 0.378 nan 8.240 nan 0.000 0.444 1423 L N 0.720 121.894 121.223 -0.082 0.000 2.093 1423 L HA -0.000 4.336 4.340 -0.006 0.000 0.208 1423 L C 3.039 179.870 176.870 -0.064 0.000 1.085 1423 L CA 0.950 55.729 54.840 -0.101 0.000 0.755 1423 L CB -0.657 41.343 42.059 -0.099 0.000 0.904 1423 L HN 0.235 nan 8.230 nan 0.000 0.435 1424 A N 0.235 123.028 122.820 -0.044 0.000 1.902 1424 A HA -0.168 4.148 4.320 -0.006 0.000 0.217 1424 A C 2.551 180.112 177.584 -0.038 0.000 1.181 1424 A CA 1.741 53.758 52.037 -0.034 0.000 0.623 1424 A CB -0.674 18.310 19.000 -0.025 0.000 0.818 1424 A HN 0.384 nan 8.150 nan 0.000 0.443 1425 A N -0.147 122.645 122.820 -0.047 0.000 1.902 1425 A HA 0.169 4.485 4.320 -0.006 0.000 0.217 1425 A C 2.501 180.051 177.584 -0.057 0.000 1.181 1425 A CA 2.054 54.053 52.037 -0.065 0.000 0.623 1425 A CB -1.016 17.934 19.000 -0.082 0.000 0.818 1425 A HN 1.077 nan 8.150 nan 0.000 0.443 1426 A N -0.167 122.627 122.820 -0.044 0.000 1.933 1426 A HA -0.157 4.159 4.320 -0.006 0.000 0.218 1426 A C 2.172 179.781 177.584 0.041 0.000 1.175 1426 A CA 2.092 54.148 52.037 0.031 0.000 0.628 1426 A CB -0.433 18.547 19.000 -0.032 0.000 0.814 1426 A HN 0.536 nan 8.150 nan 0.000 0.444 1427 R N -0.420 120.079 120.500 -0.002 0.000 2.070 1427 R HA -0.086 4.251 4.340 -0.006 0.000 0.233 1427 R C 2.153 178.463 176.300 0.017 0.000 1.137 1427 R CA 2.497 58.602 56.100 0.008 0.000 0.945 1427 R CB -1.186 29.111 30.300 -0.006 0.000 0.845 1427 R HN 0.406 nan 8.270 nan 0.000 0.430 1428 T N 0.101 114.655 114.554 -0.001 0.000 2.684 1428 T HA -0.133 4.213 4.350 -0.006 0.000 0.267 1428 T C 1.800 176.501 174.700 0.002 0.000 1.036 1428 T CA 1.711 63.808 62.100 -0.006 0.000 1.148 1428 T CB -0.320 68.531 68.868 -0.029 0.000 0.863 1428 T HN 0.048 nan 8.240 nan 0.000 0.436 1429 V N 1.360 121.277 119.914 0.005 0.000 2.270 1429 V HA -0.125 3.991 4.120 -0.006 0.000 0.245 1429 V C 2.507 178.643 176.094 0.070 0.000 1.043 1429 V CA 1.622 63.935 62.300 0.023 0.000 1.014 1429 V CB -0.566 31.256 31.823 -0.002 0.000 0.645 1429 V HN 0.471 nan 8.190 nan 0.000 0.447 1430 M N -0.271 119.388 119.600 0.098 0.000 2.296 1430 M HA -0.126 4.350 4.480 -0.006 0.000 0.265 1430 M C 2.272 178.612 176.300 0.067 0.000 1.064 1430 M CA 1.366 56.668 55.300 0.003 0.000 1.109 1430 M CB -0.383 32.215 32.600 -0.003 0.000 1.396 1430 M HN 0.324 nan 8.290 nan 0.000 0.430 1431 S N 0.431 116.179 115.700 0.079 0.000 2.447 1431 S HA 0.008 4.474 4.470 -0.006 0.000 0.233 1431 S C 1.800 176.451 174.600 0.085 0.000 1.006 1431 S CA 1.148 59.403 58.200 0.092 0.000 0.957 1431 S CB -0.102 63.130 63.200 0.053 0.000 0.773 1431 S HN 0.563 nan 8.310 nan 0.000 0.507 1432 A N 0.336 123.192 122.820 0.060 0.000 2.267 1432 A HA 0.423 4.740 4.320 -0.006 0.000 0.213 1432 A C 0.866 178.482 177.584 0.053 0.000 1.192 1432 A CA -0.214 51.850 52.037 0.045 0.000 0.851 1432 A CB -0.091 18.921 19.000 0.018 0.000 0.881 1432 A HN 0.329 nan 8.150 nan 0.000 0.494 1433 L N 0.000 121.260 121.223 0.062 0.000 2.949 1433 L HA 0.000 4.337 4.340 -0.006 0.000 0.249 1433 L CA 0.000 54.870 54.840 0.051 0.000 0.813 1433 L CB 0.000 41.990 42.059 -0.116 0.000 0.961 1433 L HN 0.000 nan 8.230 nan 0.000 0.502