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 1wc1_1_C DATA FIRST_RESID 1004 DATA SEQUENCE LRPEPRLITI LFSDIVGFTR MSNALQSQGV AELLNEYLGE MTRAVFENQG DATA SEQUENCE TVDKFVGDAI MALYGAPEEM SPSEQVRRAI ATARQMLVAL EKLNQGWQER DATA SEQUENCE GLVGXXXVPP VRFRCGIHQG MAVVGLFGSQ ERSDFTAIGP SVNIAARLQE DATA SEQUENCE ATAPNSIMVS AMVAQYVPDE EIIKREFLEL KGIDEPVMTC VINPNM 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 1004 L HA 0.000 nan 4.340 nan 0.000 0.249 1004 L C 0.000 176.872 176.870 0.002 0.000 1.165 1004 L CA 0.000 54.856 54.840 0.026 0.000 0.813 1004 L CB 0.000 42.085 42.059 0.043 0.000 0.961 1005 R N 1.157 121.634 120.500 -0.039 0.000 2.698 1005 R HA 0.263 4.603 4.340 -0.000 0.000 0.266 1005 R C -2.360 173.864 176.300 -0.126 0.000 1.026 1005 R CA -0.803 55.238 56.100 -0.098 0.000 1.102 1005 R CB -0.996 29.255 30.300 -0.080 0.000 0.978 1005 R HN 0.204 nan 8.270 nan 0.000 0.436 1006 P HA 0.081 nan 4.420 nan 0.000 0.264 1006 P C -0.889 176.356 177.300 -0.092 0.000 1.193 1006 P CA 0.459 63.398 63.100 -0.268 0.000 0.763 1006 P CB 0.690 32.000 31.700 -0.650 0.000 0.810 1007 E N 3.214 123.400 120.200 -0.023 0.000 2.390 1007 E HA 0.338 4.688 4.350 -0.000 0.000 0.277 1007 E C -2.618 174.001 176.600 0.033 0.000 0.939 1007 E CA -2.354 54.052 56.400 0.010 0.000 0.769 1007 E CB 2.348 32.052 29.700 0.006 0.000 1.251 1007 E HN 0.377 nan 8.360 nan 0.000 0.450 1008 P HA 0.061 nan 4.420 nan 0.000 0.266 1008 P C -0.894 176.426 177.300 0.032 0.000 1.195 1008 P CA 0.174 63.296 63.100 0.037 0.000 0.768 1008 P CB 0.885 32.605 31.700 0.032 0.000 0.838 1009 R N 2.100 122.619 120.500 0.032 0.000 2.561 1009 R HA 0.394 4.734 4.340 -0.000 0.000 0.266 1009 R C -1.399 174.916 176.300 0.024 0.000 1.091 1009 R CA -0.964 55.154 56.100 0.030 0.000 0.927 1009 R CB 1.132 31.455 30.300 0.039 0.000 1.240 1009 R HN 0.321 nan 8.270 nan 0.000 0.449 1010 L N 6.855 128.090 121.223 0.020 0.000 2.325 1010 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 1010 L C -0.640 176.236 176.870 0.009 0.000 1.089 1010 L CA 0.264 55.110 54.840 0.010 0.000 0.836 1010 L CB 0.301 42.366 42.059 0.011 0.000 1.184 1010 L HN 0.589 nan 8.230 nan 0.000 0.444 1011 I N 0.448 121.019 120.570 0.002 0.000 3.264 1011 I HA 0.680 4.850 4.170 -0.000 0.000 0.315 1011 I C -0.724 175.393 176.117 -0.001 0.000 1.154 1011 I CA -0.705 60.603 61.300 0.014 0.000 0.962 1011 I CB 2.466 40.482 38.000 0.027 0.000 1.265 1011 I HN 0.303 nan 8.210 nan 0.000 0.463 1012 T N 3.149 117.730 114.554 0.044 0.000 2.812 1012 T HA 0.684 5.034 4.350 -0.000 0.000 0.282 1012 T C -0.534 174.237 174.700 0.119 0.000 0.990 1012 T CA -0.164 61.963 62.100 0.044 0.000 0.960 1012 T CB 1.295 70.172 68.868 0.015 0.000 0.948 1012 T HN 0.345 nan 8.240 nan 0.000 0.438 1013 I N 3.327 123.946 120.570 0.083 0.000 2.441 1013 I HA 0.560 4.730 4.170 -0.000 0.000 0.295 1013 I C -0.529 175.616 176.117 0.047 0.000 0.994 1013 I CA -0.693 60.630 61.300 0.039 0.000 1.144 1013 I CB 1.693 39.713 38.000 0.034 0.000 1.314 1013 I HN 0.435 nan 8.210 nan 0.000 0.445 1014 L N 6.139 127.336 121.223 -0.045 0.000 2.381 1014 L HA 0.645 4.985 4.340 -0.000 0.000 0.274 1014 L C -1.728 175.027 176.870 -0.192 0.000 0.988 1014 L CA -0.318 54.523 54.840 0.001 0.000 0.824 1014 L CB 1.134 43.266 42.059 0.121 0.000 1.263 1014 L HN 0.408 nan 8.230 nan 0.000 0.410 1015 F N 2.972 122.963 119.950 0.068 0.000 2.507 1015 F HA 0.551 5.078 4.527 -0.000 0.000 0.325 1015 F C 0.132 175.958 175.800 0.044 0.000 1.116 1015 F CA -0.419 57.608 58.000 0.045 0.000 0.930 1015 F CB 2.394 41.421 39.000 0.044 0.000 1.146 1015 F HN 0.482 nan 8.300 nan 0.000 0.447 1016 S N 2.151 117.957 115.700 0.177 0.000 2.526 1016 S HA 0.707 5.177 4.470 -0.000 0.000 0.293 1016 S C -1.695 172.972 174.600 0.111 0.000 1.092 1016 S CA -0.648 57.586 58.200 0.056 0.000 0.980 1016 S CB 2.285 65.315 63.200 -0.284 0.000 1.048 1016 S HN 0.604 nan 8.310 nan 0.000 0.483 1017 D N 1.814 122.318 120.400 0.173 0.000 2.990 1017 D HA 0.314 4.954 4.640 -0.000 0.000 0.227 1017 D C -0.587 175.831 176.300 0.198 0.000 1.249 1017 D CA -0.519 53.574 54.000 0.155 0.000 0.891 1017 D CB 1.520 42.394 40.800 0.124 0.000 1.647 1017 D HN 0.678 nan 8.370 nan 0.000 0.530 1018 I N 2.457 123.076 120.570 0.082 0.000 2.683 1018 I HA 0.020 4.190 4.170 -0.000 0.000 0.286 1018 I C 0.655 176.840 176.117 0.114 0.000 1.175 1018 I CA -0.263 61.075 61.300 0.063 0.000 1.429 1018 I CB 0.965 38.859 38.000 -0.176 0.000 1.371 1018 I HN 0.108 nan 8.210 nan 0.000 0.569 1019 V N 5.706 125.702 119.914 0.137 0.000 2.649 1019 V HA 0.252 4.372 4.120 -0.000 0.000 0.292 1019 V C 1.105 177.260 176.094 0.101 0.000 1.055 1019 V CA 0.134 62.499 62.300 0.109 0.000 1.023 1019 V CB 1.019 32.894 31.823 0.087 0.000 0.992 1019 V HN 1.113 nan 8.190 nan 0.000 0.480 1020 G N 3.757 112.609 108.800 0.086 0.000 2.366 1020 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.299 1020 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.299 1020 G C 0.346 175.288 174.900 0.070 0.000 1.020 1020 G CA 0.747 45.882 45.100 0.059 0.000 1.026 1020 G HN 0.862 nan 8.290 nan 0.000 0.512 1021 F N 0.161 120.087 119.950 -0.040 0.000 2.615 1021 F HA 0.107 4.634 4.527 0.000 0.000 0.297 1021 F C 2.380 178.148 175.800 -0.053 0.000 1.124 1021 F CA 1.837 59.799 58.000 -0.064 0.000 1.451 1021 F CB 0.177 39.139 39.000 -0.063 0.000 1.103 1021 F HN 0.204 nan 8.300 nan 0.000 0.569 1022 T N 0.552 115.093 114.554 -0.022 0.000 2.732 1022 T HA -0.106 4.244 4.350 -0.000 0.000 0.261 1022 T C 1.673 176.288 174.700 -0.142 0.000 1.040 1022 T CA 1.118 63.170 62.100 -0.079 0.000 1.145 1022 T CB -0.190 68.677 68.868 -0.003 0.000 0.866 1022 T HN 0.165 nan 8.240 nan 0.000 0.427 1023 R N 1.509 121.948 120.500 -0.103 0.000 2.404 1023 R HA 0.220 4.560 4.340 -0.000 0.000 0.236 1023 R C 1.698 177.914 176.300 -0.141 0.000 1.044 1023 R CA 0.317 56.356 56.100 -0.101 0.000 1.133 1023 R CB -0.393 29.871 30.300 -0.060 0.000 1.142 1023 R HN 0.587 nan 8.270 nan 0.000 0.512 1024 M N -4.588 114.874 119.600 -0.230 0.000 2.260 1024 M HA 0.286 4.766 4.480 -0.000 0.000 0.295 1024 M C 1.009 177.092 176.300 -0.362 0.000 1.042 1024 M CA 0.354 55.492 55.300 -0.269 0.000 1.116 1024 M CB 0.510 32.943 32.600 -0.279 0.000 1.796 1024 M HN -0.211 nan 8.290 nan 0.000 0.617 1025 S N 2.631 118.047 115.700 -0.474 0.000 2.428 1025 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 1025 S C 1.395 175.848 174.600 -0.246 0.000 1.014 1025 S CA 1.910 59.835 58.200 -0.458 0.000 0.957 1025 S CB -0.508 62.393 63.200 -0.499 0.000 0.784 1025 S HN 0.790 nan 8.310 nan 0.000 0.499 1026 N N 1.530 120.115 118.700 -0.193 0.000 2.373 1026 N HA 0.208 4.948 4.740 -0.000 0.000 0.181 1026 N C 0.863 176.306 175.510 -0.112 0.000 1.082 1026 N CA 0.685 53.660 53.050 -0.126 0.000 0.885 1026 N CB -0.203 38.226 38.487 -0.098 0.000 0.977 1026 N HN 0.270 nan 8.380 nan 0.000 0.462 1027 A N 0.069 122.810 122.820 -0.132 0.000 2.370 1027 A HA 0.466 4.786 4.320 -0.000 0.000 0.238 1027 A C -0.076 177.440 177.584 -0.112 0.000 1.289 1027 A CA -0.179 51.793 52.037 -0.109 0.000 0.885 1027 A CB -0.307 18.627 19.000 -0.109 0.000 0.961 1027 A HN 0.255 nan 8.150 nan 0.000 0.499 1028 L N -0.487 120.662 121.223 -0.123 0.000 2.469 1028 L HA 0.320 4.660 4.340 -0.000 0.000 0.256 1028 L C -0.434 176.380 176.870 -0.092 0.000 1.006 1028 L CA -1.266 53.506 54.840 -0.112 0.000 0.832 1028 L CB 1.664 43.635 42.059 -0.146 0.000 1.421 1028 L HN 0.374 nan 8.230 nan 0.000 0.410 1029 Q N 0.415 120.172 119.800 -0.072 0.000 2.382 1029 Q HA 0.143 4.483 4.340 -0.000 0.000 0.229 1029 Q C 0.822 176.790 176.000 -0.054 0.000 1.006 1029 Q CA 0.311 56.081 55.803 -0.054 0.000 0.916 1029 Q CB 1.092 29.806 28.738 -0.039 0.000 1.235 1029 Q HN 0.790 nan 8.270 nan 0.000 0.512 1030 S N 1.152 116.828 115.700 -0.040 0.000 2.387 1030 S HA -0.250 4.220 4.470 -0.000 0.000 0.230 1030 S C 1.568 176.154 174.600 -0.023 0.000 1.035 1030 S CA 1.451 59.632 58.200 -0.031 0.000 1.014 1030 S CB -0.147 63.041 63.200 -0.019 0.000 0.836 1030 S HN 0.628 nan 8.310 nan 0.000 0.466 1031 Q N 1.318 121.106 119.800 -0.021 0.000 2.046 1031 Q HA 0.049 4.389 4.340 -0.000 0.000 0.200 1031 Q C 2.558 178.548 176.000 -0.018 0.000 0.975 1031 Q CA 1.682 57.477 55.803 -0.013 0.000 0.836 1031 Q CB -1.391 27.342 28.738 -0.009 0.000 0.896 1031 Q HN 0.717 nan 8.270 nan 0.000 0.428 1032 G N 0.390 109.169 108.800 -0.035 0.000 2.470 1032 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.220 1032 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.220 1032 G C 1.562 176.421 174.900 -0.070 0.000 1.121 1032 G CA 0.900 45.968 45.100 -0.054 0.000 0.766 1032 G HN 0.239 nan 8.290 nan 0.000 0.553 1033 V N 1.152 121.031 119.914 -0.060 0.000 2.346 1033 V HA -0.013 4.107 4.120 -0.000 0.000 0.244 1033 V C 3.248 179.355 176.094 0.022 0.000 1.037 1033 V CA 1.777 64.049 62.300 -0.046 0.000 1.029 1033 V CB -0.769 31.022 31.823 -0.054 0.000 0.663 1033 V HN 0.424 nan 8.190 nan 0.000 0.454 1034 A N -0.235 122.596 122.820 0.020 0.000 1.902 1034 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 1034 A C 2.188 179.794 177.584 0.037 0.000 1.181 1034 A CA 1.633 53.689 52.037 0.032 0.000 0.623 1034 A CB -0.395 18.616 19.000 0.018 0.000 0.818 1034 A HN 0.514 nan 8.150 nan 0.000 0.443 1035 E N -0.221 119.997 120.200 0.031 0.000 2.047 1035 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 1035 E C 2.100 178.756 176.600 0.094 0.000 0.987 1035 E CA 1.148 57.581 56.400 0.055 0.000 0.799 1035 E CB -0.678 29.049 29.700 0.045 0.000 0.752 1035 E HN 0.659 nan 8.360 nan 0.000 0.449 1036 L N 0.540 121.786 121.223 0.038 0.000 1.994 1036 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 1036 L C 2.468 179.435 176.870 0.161 0.000 1.071 1036 L CA 0.967 55.818 54.840 0.018 0.000 0.745 1036 L CB -0.224 41.662 42.059 -0.289 0.000 0.892 1036 L HN 0.124 nan 8.230 nan 0.000 0.431 1037 L N 0.317 121.614 121.223 0.123 0.000 2.042 1037 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 1037 L C 2.046 179.003 176.870 0.145 0.000 1.076 1037 L CA 2.107 57.032 54.840 0.142 0.000 0.749 1037 L CB -0.986 41.133 42.059 0.100 0.000 0.893 1037 L HN 0.355 nan 8.230 nan 0.000 0.432 1038 N N -1.074 117.678 118.700 0.087 0.000 2.188 1038 N HA -0.223 4.517 4.740 -0.000 0.000 0.184 1038 N C 1.729 177.293 175.510 0.089 0.000 1.018 1038 N CA 1.031 54.101 53.050 0.034 0.000 0.858 1038 N CB 0.002 38.497 38.487 0.012 0.000 0.989 1038 N HN 0.517 nan 8.380 nan 0.000 0.426 1039 E N 0.274 120.585 120.200 0.185 0.000 2.106 1039 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 1039 E C 1.814 178.567 176.600 0.255 0.000 0.984 1039 E CA 0.845 57.377 56.400 0.220 0.000 0.806 1039 E CB -0.105 29.800 29.700 0.341 0.000 0.750 1039 E HN 0.417 nan 8.360 nan 0.000 0.458 1040 Y N 1.168 121.616 120.300 0.247 0.000 2.133 1040 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 1040 Y C 1.912 177.861 175.900 0.082 0.000 1.134 1040 Y CA 1.817 60.057 58.100 0.234 0.000 1.133 1040 Y CB -0.338 38.295 38.460 0.288 0.000 0.987 1040 Y HN 0.019 nan 8.280 nan 0.000 0.502 1041 L N -0.142 121.085 121.223 0.007 0.000 2.127 1041 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 1041 L C 2.648 179.440 176.870 -0.129 0.000 1.089 1041 L CA 1.196 55.934 54.840 -0.169 0.000 0.757 1041 L CB -1.203 40.666 42.059 -0.317 0.000 0.899 1041 L HN 0.472 nan 8.230 nan 0.000 0.434 1042 G N -0.506 108.250 108.800 -0.073 0.000 2.404 1042 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.215 1042 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.215 1042 G C 1.469 176.338 174.900 -0.051 0.000 1.174 1042 G CA 0.528 45.602 45.100 -0.043 0.000 0.780 1042 G HN 0.253 nan 8.290 nan 0.000 0.537 1043 E N -0.268 119.883 120.200 -0.082 0.000 2.107 1043 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 1043 E C 2.688 179.216 176.600 -0.120 0.000 0.982 1043 E CA 0.643 56.990 56.400 -0.089 0.000 0.809 1043 E CB -0.117 29.524 29.700 -0.098 0.000 0.756 1043 E HN 0.228 nan 8.360 nan 0.000 0.459 1044 M N 0.042 119.500 119.600 -0.237 0.000 2.099 1044 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 1044 M C 2.391 178.647 176.300 -0.074 0.000 1.067 1044 M CA 2.013 57.171 55.300 -0.236 0.000 1.124 1044 M CB -1.742 30.593 32.600 -0.441 0.000 1.353 1044 M HN 0.249 nan 8.290 nan 0.000 0.410 1045 T N -1.332 113.218 114.554 -0.006 0.000 2.833 1045 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 1045 T C 1.969 176.713 174.700 0.074 0.000 1.054 1045 T CA 1.412 63.551 62.100 0.064 0.000 1.135 1045 T CB -0.488 68.452 68.868 0.120 0.000 0.869 1045 T HN 0.402 nan 8.240 nan 0.000 0.466 1046 R N 1.490 122.021 120.500 0.052 0.000 2.081 1046 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 1046 R C 2.702 179.072 176.300 0.117 0.000 1.131 1046 R CA 1.423 57.584 56.100 0.102 0.000 0.960 1046 R CB -0.795 29.536 30.300 0.053 0.000 0.856 1046 R HN 0.485 nan 8.270 nan 0.000 0.436 1047 A N 0.315 123.167 122.820 0.053 0.000 1.902 1047 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 1047 A C 2.263 179.888 177.584 0.068 0.000 1.181 1047 A CA 1.612 53.677 52.037 0.046 0.000 0.623 1047 A CB -0.501 18.510 19.000 0.019 0.000 0.818 1047 A HN 0.233 nan 8.150 nan 0.000 0.443 1048 V N -1.103 118.856 119.914 0.074 0.000 2.261 1048 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 1048 V C 2.290 178.427 176.094 0.073 0.000 1.047 1048 V CA 2.122 64.468 62.300 0.077 0.000 1.015 1048 V CB -1.037 30.793 31.823 0.012 0.000 0.642 1048 V HN 0.641 nan 8.190 nan 0.000 0.446 1049 F N 1.632 121.562 119.950 -0.035 0.000 2.095 1049 F HA -0.191 4.336 4.527 0.000 0.000 0.298 1049 F C 2.410 178.200 175.800 -0.016 0.000 1.104 1049 F CA 2.098 60.075 58.000 -0.038 0.000 1.232 1049 F CB -0.427 38.552 39.000 -0.034 0.000 0.987 1049 F HN 0.238 nan 8.300 nan 0.000 0.475 1050 E N -0.391 119.696 120.200 -0.190 0.000 2.265 1050 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 1050 E C 0.785 177.261 176.600 -0.206 0.000 0.996 1050 E CA 0.873 57.108 56.400 -0.274 0.000 0.832 1050 E CB -0.334 29.332 29.700 -0.057 0.000 0.756 1050 E HN 0.524 nan 8.360 nan 0.000 0.491 1051 N N 0.840 119.479 118.700 -0.102 0.000 2.273 1051 N HA 0.030 4.770 4.740 -0.000 0.000 0.231 1051 N C -0.566 174.948 175.510 0.008 0.000 1.134 1051 N CA 0.087 53.124 53.050 -0.022 0.000 0.856 1051 N CB 0.813 39.337 38.487 0.061 0.000 1.068 1051 N HN 0.134 nan 8.380 nan 0.000 0.510 1052 Q N -0.816 118.905 119.800 -0.132 0.000 2.481 1052 Q HA -0.142 4.198 4.340 -0.000 0.000 0.272 1052 Q C 0.413 176.349 176.000 -0.107 0.000 1.157 1052 Q CA 0.643 56.367 55.803 -0.131 0.000 0.935 1052 Q CB -1.760 26.924 28.738 -0.089 0.000 1.338 1052 Q HN 0.414 nan 8.270 nan 0.000 0.494 1053 G N -0.237 108.465 108.800 -0.163 0.000 2.477 1053 G HA2 0.531 4.491 3.960 -0.000 0.000 0.304 1053 G HA3 0.531 4.491 3.960 -0.000 0.000 0.304 1053 G C -0.353 174.332 174.900 -0.358 0.000 1.175 1053 G CA -0.192 44.566 45.100 -0.570 0.000 0.907 1053 G HN 0.017 nan 8.290 nan 0.000 0.509 1054 T N 0.385 114.679 114.554 -0.433 0.000 2.794 1054 T HA 0.371 4.721 4.350 -0.000 0.000 0.280 1054 T C 0.042 174.601 174.700 -0.236 0.000 0.987 1054 T CA -0.234 61.727 62.100 -0.232 0.000 0.993 1054 T CB 1.579 70.354 68.868 -0.155 0.000 0.939 1054 T HN 0.255 nan 8.240 nan 0.000 0.449 1055 V N 4.378 124.185 119.914 -0.179 0.000 2.389 1055 V HA 0.096 4.216 4.120 -0.000 0.000 0.264 1055 V C 1.391 177.349 176.094 -0.228 0.000 1.049 1055 V CA -0.202 61.956 62.300 -0.235 0.000 0.932 1055 V CB 1.016 32.689 31.823 -0.250 0.000 1.011 1055 V HN 0.931 nan 8.190 nan 0.000 0.475 1056 D N 4.700 124.961 120.400 -0.232 0.000 2.085 1056 D HA -0.018 4.622 4.640 -0.000 0.000 0.199 1056 D C 0.740 176.912 176.300 -0.214 0.000 0.981 1056 D CA 1.334 55.240 54.000 -0.156 0.000 0.834 1056 D CB 0.594 41.296 40.800 -0.162 0.000 0.992 1056 D HN 0.757 nan 8.370 nan 0.000 0.457 1057 K N -2.329 117.870 120.400 -0.334 0.000 2.680 1057 K HA 0.329 4.649 4.320 -0.000 0.000 0.295 1057 K C -1.544 174.751 176.600 -0.508 0.000 1.052 1057 K CA -0.846 55.210 56.287 -0.386 0.000 0.863 1057 K CB 0.321 32.744 32.500 -0.129 0.000 1.549 1057 K HN -0.106 nan 8.250 nan 0.000 0.391 1058 F N 0.477 120.436 119.950 0.014 0.000 2.469 1058 F HA 0.530 5.057 4.527 -0.000 0.000 0.332 1058 F C -0.434 175.384 175.800 0.030 0.000 1.103 1058 F CA -1.097 56.913 58.000 0.017 0.000 0.979 1058 F CB 2.470 41.475 39.000 0.009 0.000 1.137 1058 F HN 0.108 nan 8.300 nan 0.000 0.463 1059 V N 3.375 123.416 119.914 0.211 0.000 2.315 1059 V HA 0.517 4.637 4.120 -0.000 0.000 0.265 1059 V C 0.523 176.669 176.094 0.087 0.000 1.019 1059 V CA 0.043 62.423 62.300 0.133 0.000 0.824 1059 V CB 0.183 32.080 31.823 0.125 0.000 1.072 1059 V HN 1.147 nan 8.190 nan 0.000 0.448 1060 G N 4.547 113.387 108.800 0.066 0.000 2.601 1060 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.306 1060 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.306 1060 G C 0.574 175.391 174.900 -0.138 0.000 1.172 1060 G CA 0.586 45.678 45.100 -0.013 0.000 0.966 1060 G HN 0.840 nan 8.290 nan 0.000 0.542 1061 D N 1.969 122.202 120.400 -0.279 0.000 2.395 1061 D HA 0.590 5.230 4.640 -0.000 0.000 0.226 1061 D C 0.666 176.889 176.300 -0.129 0.000 1.146 1061 D CA 1.089 54.796 54.000 -0.487 0.000 0.830 1061 D CB -0.059 40.163 40.800 -0.963 0.000 0.958 1061 D HN 1.221 nan 8.370 nan 0.000 0.501 1062 A N 0.280 123.119 122.820 0.031 0.000 2.413 1062 A HA 0.689 5.009 4.320 -0.000 0.000 0.307 1062 A C -1.006 176.706 177.584 0.213 0.000 1.087 1062 A CA -0.922 51.197 52.037 0.137 0.000 0.750 1062 A CB 1.680 20.769 19.000 0.149 0.000 1.296 1062 A HN 0.291 nan 8.150 nan 0.000 0.423 1063 I N 1.608 122.286 120.570 0.179 0.000 2.530 1063 I HA 0.632 4.802 4.170 -0.000 0.000 0.297 1063 I C -0.724 175.379 176.117 -0.023 0.000 1.011 1063 I CA -1.074 60.291 61.300 0.109 0.000 1.107 1063 I CB 1.543 39.598 38.000 0.092 0.000 1.285 1063 I HN 0.804 nan 8.210 nan 0.000 0.436 1064 M N 7.836 127.328 119.600 -0.180 0.000 2.125 1064 M HA 0.670 5.150 4.480 -0.000 0.000 0.321 1064 M C -1.493 174.591 176.300 -0.361 0.000 0.983 1064 M CA -0.365 54.678 55.300 -0.429 0.000 0.934 1064 M CB 1.339 33.682 32.600 -0.428 0.000 1.542 1064 M HN 0.701 nan 8.290 nan 0.000 0.424 1065 A N 5.808 128.432 122.820 -0.328 0.000 2.355 1065 A HA 0.898 5.218 4.320 -0.000 0.000 0.324 1065 A C -1.525 175.907 177.584 -0.254 0.000 1.117 1065 A CA -0.765 51.114 52.037 -0.263 0.000 0.785 1065 A CB 1.311 20.217 19.000 -0.156 0.000 1.254 1065 A HN 0.906 nan 8.150 nan 0.000 0.453 1066 L N 0.836 121.847 121.223 -0.354 0.000 2.354 1066 L HA 0.584 4.924 4.340 -0.000 0.000 0.269 1066 L C -1.576 174.984 176.870 -0.518 0.000 1.005 1066 L CA -0.631 54.062 54.840 -0.245 0.000 0.819 1066 L CB 1.852 43.843 42.059 -0.113 0.000 1.311 1066 L HN 0.725 nan 8.230 nan 0.000 0.423 1067 Y N 0.172 120.446 120.300 -0.043 0.000 2.329 1067 Y HA 0.565 5.115 4.550 -0.000 0.000 0.328 1067 Y C 0.767 176.647 175.900 -0.033 0.000 0.992 1067 Y CA -0.406 57.667 58.100 -0.043 0.000 1.151 1067 Y CB 2.067 40.490 38.460 -0.061 0.000 1.150 1067 Y HN 0.771 nan 8.280 nan 0.000 0.450 1068 G N 1.395 110.230 108.800 0.058 0.000 2.175 1068 G HA2 0.196 4.155 3.960 -0.000 0.000 0.182 1068 G HA3 0.196 4.155 3.960 -0.000 0.000 0.182 1068 G C -0.352 174.576 174.900 0.047 0.000 1.003 1068 G CA -0.224 44.903 45.100 0.044 0.000 0.666 1068 G HN 1.233 nan 8.290 nan 0.000 0.506 1069 A N -0.247 122.605 122.820 0.052 0.000 2.540 1069 A HA 0.858 5.178 4.320 -0.000 0.000 0.297 1069 A C -1.640 176.010 177.584 0.110 0.000 1.056 1069 A CA -0.238 51.879 52.037 0.134 0.000 0.700 1069 A CB 1.510 20.642 19.000 0.220 0.000 1.280 1069 A HN 0.069 nan 8.150 nan 0.000 0.398 1070 P HA -0.006 nan 4.420 nan 0.000 0.222 1070 P C 0.021 177.310 177.300 -0.019 0.000 1.153 1070 P CA 0.837 63.922 63.100 -0.025 0.000 0.798 1070 P CB 0.255 31.735 31.700 -0.366 0.000 0.796 1071 E N 1.403 121.577 120.200 -0.044 0.000 2.373 1071 E HA 0.073 4.423 4.350 -0.000 0.000 0.267 1071 E C 0.238 176.833 176.600 -0.009 0.000 1.032 1071 E CA -0.098 56.282 56.400 -0.033 0.000 0.889 1071 E CB 0.617 30.290 29.700 -0.045 0.000 0.984 1071 E HN 0.122 nan 8.360 nan 0.000 0.425 1072 E N 2.206 122.402 120.200 -0.007 0.000 2.392 1072 E HA 0.201 4.551 4.350 -0.000 0.000 0.264 1072 E C -0.790 175.806 176.600 -0.005 0.000 1.024 1072 E CA 0.164 56.564 56.400 -0.000 0.000 0.903 1072 E CB 0.529 30.227 29.700 -0.002 0.000 0.963 1072 E HN 0.435 nan 8.360 nan 0.000 0.432 1073 M N 3.226 122.824 119.600 -0.003 0.000 2.325 1073 M HA 0.235 4.715 4.480 -0.000 0.000 0.285 1073 M C -1.059 175.227 176.300 -0.023 0.000 1.119 1073 M CA -0.529 54.765 55.300 -0.011 0.000 0.959 1073 M CB 1.680 34.283 32.600 0.006 0.000 1.737 1073 M HN 0.673 nan 8.290 nan 0.000 0.486 1074 S N 3.875 119.551 115.700 -0.039 0.000 2.568 1074 S HA 0.296 4.766 4.470 -0.000 0.000 0.282 1074 S C -2.319 172.220 174.600 -0.102 0.000 1.338 1074 S CA -0.700 57.467 58.200 -0.055 0.000 1.045 1074 S CB 0.480 63.646 63.200 -0.056 0.000 0.873 1074 S HN 0.589 nan 8.310 nan 0.000 0.516 1075 P HA -0.171 nan 4.420 nan 0.000 0.216 1075 P C 1.896 178.897 177.300 -0.499 0.000 1.153 1075 P CA 1.927 64.919 63.100 -0.180 0.000 0.858 1075 P CB -0.192 31.486 31.700 -0.038 0.000 0.789 1076 S N -0.980 114.369 115.700 -0.584 0.000 2.383 1076 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 1076 S C 1.900 176.218 174.600 -0.470 0.000 1.026 1076 S CA 1.043 58.720 58.200 -0.871 0.000 0.981 1076 S CB -1.067 61.912 63.200 -0.368 0.000 0.818 1076 S HN 0.062 nan 8.310 nan 0.000 0.472 1077 E N 1.509 121.550 120.200 -0.265 0.000 2.152 1077 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 1077 E C 2.330 178.831 176.600 -0.166 0.000 0.983 1077 E CA 0.785 57.084 56.400 -0.168 0.000 0.818 1077 E CB -0.392 29.250 29.700 -0.097 0.000 0.758 1077 E HN 0.716 nan 8.360 nan 0.000 0.467 1078 Q N 0.212 119.908 119.800 -0.173 0.000 2.061 1078 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 1078 Q C 2.332 178.178 176.000 -0.257 0.000 0.984 1078 Q CA 1.554 57.283 55.803 -0.124 0.000 0.846 1078 Q CB -0.066 28.621 28.738 -0.084 0.000 0.902 1078 Q HN 0.111 nan 8.270 nan 0.000 0.421 1079 V N 0.634 120.370 119.914 -0.298 0.000 2.358 1079 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 1079 V C 2.315 178.274 176.094 -0.226 0.000 1.047 1079 V CA 1.825 63.971 62.300 -0.255 0.000 1.035 1079 V CB -0.555 31.144 31.823 -0.208 0.000 0.658 1079 V HN 0.314 nan 8.190 nan 0.000 0.452 1080 R N 0.059 120.432 120.500 -0.210 0.000 2.081 1080 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 1080 R C 2.506 178.709 176.300 -0.162 0.000 1.131 1080 R CA 1.704 57.718 56.100 -0.144 0.000 0.960 1080 R CB -0.143 30.087 30.300 -0.116 0.000 0.856 1080 R HN 0.417 nan 8.270 nan 0.000 0.436 1081 R N -0.458 119.920 120.500 -0.204 0.000 2.115 1081 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 1081 R C 2.278 178.317 176.300 -0.434 0.000 1.100 1081 R CA 1.071 57.049 56.100 -0.204 0.000 0.980 1081 R CB -0.143 30.123 30.300 -0.057 0.000 0.875 1081 R HN 0.246 nan 8.270 nan 0.000 0.445 1082 A N 1.407 123.756 122.820 -0.784 0.000 1.873 1082 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 1082 A C 2.039 179.419 177.584 -0.340 0.000 1.186 1082 A CA 0.986 52.463 52.037 -0.934 0.000 0.616 1082 A CB -0.292 18.204 19.000 -0.841 0.000 0.823 1082 A HN 0.059 nan 8.150 nan 0.000 0.442 1083 I N 0.180 120.616 120.570 -0.223 0.000 2.163 1083 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 1083 I C 2.978 179.059 176.117 -0.060 0.000 1.085 1083 I CA 1.595 62.838 61.300 -0.094 0.000 1.347 1083 I CB -1.605 36.357 38.000 -0.064 0.000 1.044 1083 I HN 0.370 nan 8.210 nan 0.000 0.408 1084 A N 0.362 123.136 122.820 -0.076 0.000 1.940 1084 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 1084 A C 2.424 180.002 177.584 -0.010 0.000 1.176 1084 A CA 2.467 54.481 52.037 -0.037 0.000 0.631 1084 A CB -1.068 17.906 19.000 -0.044 0.000 0.814 1084 A HN 0.441 nan 8.150 nan 0.000 0.446 1085 T N 0.238 114.779 114.554 -0.022 0.000 2.708 1085 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 1085 T C 2.265 176.999 174.700 0.057 0.000 1.037 1085 T CA 1.686 63.807 62.100 0.036 0.000 1.146 1085 T CB -0.504 68.424 68.868 0.100 0.000 0.865 1085 T HN 0.617 nan 8.240 nan 0.000 0.435 1086 A N 1.686 124.539 122.820 0.056 0.000 1.902 1086 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 1086 A C 2.377 180.066 177.584 0.175 0.000 1.181 1086 A CA 1.560 53.679 52.037 0.137 0.000 0.623 1086 A CB -0.515 18.561 19.000 0.128 0.000 0.818 1086 A HN 0.407 nan 8.150 nan 0.000 0.443 1087 R N -1.055 119.503 120.500 0.097 0.000 2.092 1087 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 1087 R C 2.509 178.861 176.300 0.086 0.000 1.119 1087 R CA 1.494 57.643 56.100 0.081 0.000 0.970 1087 R CB -0.257 30.067 30.300 0.039 0.000 0.864 1087 R HN 0.767 nan 8.270 nan 0.000 0.440 1088 Q N 0.438 120.283 119.800 0.074 0.000 2.119 1088 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 1088 Q C 1.994 178.050 176.000 0.094 0.000 0.972 1088 Q CA 1.273 57.114 55.803 0.063 0.000 0.847 1088 Q CB 0.120 28.882 28.738 0.041 0.000 0.903 1088 Q HN 0.329 nan 8.270 nan 0.000 0.433 1089 M N -0.052 119.634 119.600 0.143 0.000 2.159 1089 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 1089 M C 2.054 178.572 176.300 0.363 0.000 1.063 1089 M CA 1.250 56.670 55.300 0.201 0.000 1.110 1089 M CB -0.151 32.539 32.600 0.151 0.000 1.374 1089 M HN 0.279 nan 8.290 nan 0.000 0.411 1090 L N -0.669 120.754 121.223 0.333 0.000 2.027 1090 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 1090 L C 2.440 179.368 176.870 0.096 0.000 1.074 1090 L CA 0.923 55.859 54.840 0.160 0.000 0.745 1090 L CB -0.611 41.465 42.059 0.029 0.000 0.898 1090 L HN 0.125 nan 8.230 nan 0.000 0.433 1091 V N 0.080 120.039 119.914 0.075 0.000 2.343 1091 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 1091 V C 2.724 178.838 176.094 0.033 0.000 1.051 1091 V CA 1.835 64.158 62.300 0.039 0.000 1.036 1091 V CB -0.913 30.927 31.823 0.029 0.000 0.654 1091 V HN 0.491 nan 8.190 nan 0.000 0.451 1092 A N -0.175 122.675 122.820 0.050 0.000 1.898 1092 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 1092 A C 2.150 179.741 177.584 0.012 0.000 1.181 1092 A CA 1.952 53.998 52.037 0.016 0.000 0.620 1092 A CB -0.579 18.430 19.000 0.014 0.000 0.819 1092 A HN 0.457 nan 8.150 nan 0.000 0.442 1093 L N 0.216 121.505 121.223 0.110 0.000 2.131 1093 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 1093 L C 2.188 179.086 176.870 0.047 0.000 1.092 1093 L CA 2.539 57.471 54.840 0.154 0.000 0.759 1093 L CB -0.508 41.754 42.059 0.339 0.000 0.903 1093 L HN 0.623 nan 8.230 nan 0.000 0.435 1094 E N -0.536 119.680 120.200 0.027 0.000 2.106 1094 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 1094 E C 2.198 178.775 176.600 -0.039 0.000 0.984 1094 E CA 1.204 57.605 56.400 0.002 0.000 0.806 1094 E CB -0.072 29.630 29.700 0.003 0.000 0.750 1094 E HN 0.549 nan 8.360 nan 0.000 0.458 1095 K N 0.329 120.688 120.400 -0.068 0.000 2.103 1095 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 1095 K C 2.226 178.694 176.600 -0.219 0.000 1.052 1095 K CA 0.598 56.821 56.287 -0.108 0.000 0.945 1095 K CB 0.026 32.471 32.500 -0.091 0.000 0.722 1095 K HN 0.165 nan 8.250 nan 0.000 0.443 1096 L N 1.180 122.197 121.223 -0.344 0.000 2.046 1096 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 1096 L C 2.151 178.529 176.870 -0.819 0.000 1.077 1096 L CA 1.065 55.414 54.840 -0.819 0.000 0.747 1096 L CB -0.573 40.820 42.059 -1.111 0.000 0.896 1096 L HN 0.262 nan 8.230 nan 0.000 0.432 1097 N N -0.241 118.296 118.700 -0.270 0.000 2.120 1097 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 1097 N C 1.816 177.365 175.510 0.066 0.000 1.024 1097 N CA 1.111 54.230 53.050 0.116 0.000 0.852 1097 N CB -0.263 38.329 38.487 0.175 0.000 1.003 1097 N HN 0.408 nan 8.380 nan 0.000 0.424 1098 Q N 0.471 120.260 119.800 -0.018 0.000 2.112 1098 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 1098 Q C 1.831 177.829 176.000 -0.003 0.000 0.987 1098 Q CA 1.935 57.736 55.803 -0.004 0.000 0.858 1098 Q CB -0.300 28.422 28.738 -0.027 0.000 0.905 1098 Q HN 0.374 nan 8.270 nan 0.000 0.420 1099 G N -0.531 108.223 108.800 -0.076 0.000 2.408 1099 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 1099 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 1099 G C 0.865 175.811 174.900 0.078 0.000 1.156 1099 G CA 0.284 45.351 45.100 -0.055 0.000 0.793 1099 G HN 0.367 nan 8.290 nan 0.000 0.535 1100 W N 1.087 122.411 121.300 0.040 0.000 2.402 1100 W HA 0.065 4.725 4.660 0.000 0.000 0.286 1100 W C 2.591 179.126 176.519 0.027 0.000 1.221 1100 W CA 0.648 58.015 57.345 0.037 0.000 1.257 1100 W CB -0.607 28.880 29.460 0.046 0.000 1.120 1100 W HN 0.362 nan 8.180 nan 0.000 0.551 1101 Q N -0.156 119.790 119.800 0.244 0.000 2.172 1101 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 1101 Q C 1.930 177.991 176.000 0.102 0.000 0.964 1101 Q CA 1.003 56.892 55.803 0.144 0.000 0.855 1101 Q CB -0.051 28.752 28.738 0.108 0.000 0.918 1101 Q HN 0.157 nan 8.270 nan 0.000 0.444 1102 E N 0.519 120.775 120.200 0.094 0.000 2.152 1102 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 1102 E C 1.851 178.494 176.600 0.071 0.000 0.983 1102 E CA 0.841 57.281 56.400 0.066 0.000 0.818 1102 E CB 0.040 29.770 29.700 0.050 0.000 0.758 1102 E HN 0.342 nan 8.360 nan 0.000 0.467 1103 R N -0.607 119.954 120.500 0.101 0.000 2.062 1103 R HA 0.060 4.400 4.340 -0.000 0.000 0.226 1103 R C 1.382 177.725 176.300 0.071 0.000 1.125 1103 R CA 1.038 57.193 56.100 0.092 0.000 0.966 1103 R CB 0.203 30.583 30.300 0.132 0.000 0.861 1103 R HN 0.245 nan 8.270 nan 0.000 0.433 1104 G N -0.290 108.557 108.800 0.079 0.000 2.148 1104 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.120 1104 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.120 1104 G C 0.458 175.374 174.900 0.028 0.000 1.034 1104 G CA -0.479 44.650 45.100 0.047 0.000 0.710 1104 G HN 0.119 nan 8.290 nan 0.000 0.495 1105 L N -0.093 121.155 121.223 0.041 0.000 2.354 1105 L HA 0.388 4.728 4.340 -0.000 0.000 0.212 1105 L C 1.178 178.015 176.870 -0.055 0.000 1.091 1105 L CA 1.110 55.925 54.840 -0.042 0.000 0.828 1105 L CB 0.434 42.417 42.059 -0.125 0.000 0.973 1105 L HN 0.437 nan 8.230 nan 0.000 0.461 1106 V N -3.311 116.623 119.914 0.034 0.000 2.971 1106 V HA 0.969 5.089 4.120 -0.000 0.000 0.309 1106 V C -0.201 175.930 176.094 0.061 0.000 1.130 1106 V CA -0.248 62.076 62.300 0.041 0.000 0.964 1106 V CB 1.112 32.998 31.823 0.105 0.000 1.029 1106 V HN 0.251 nan 8.190 nan 0.000 0.427 1112 P HA 0.468 nan 4.420 nan 0.000 0.276 1112 P C -2.790 174.535 177.300 0.042 0.000 1.261 1112 P CA -1.788 61.322 63.100 0.018 0.000 0.800 1112 P CB 0.379 32.088 31.700 0.016 0.000 1.066 1113 P HA -0.012 nan 4.420 nan 0.000 0.264 1113 P C -0.200 177.186 177.300 0.143 0.000 1.183 1113 P CA 0.220 63.404 63.100 0.141 0.000 0.763 1113 P CB 0.105 31.883 31.700 0.130 0.000 0.807 1114 V N 4.892 124.939 119.914 0.222 0.000 2.788 1114 V HA 0.063 4.183 4.120 -0.000 0.000 0.307 1114 V C 1.043 177.260 176.094 0.205 0.000 1.069 1114 V CA 0.642 63.065 62.300 0.205 0.000 1.173 1114 V CB -0.347 31.657 31.823 0.303 0.000 0.925 1114 V HN 0.656 nan 8.190 nan 0.000 0.492 1115 R N 3.916 124.506 120.500 0.150 0.000 2.740 1115 R HA 0.793 5.133 4.340 -0.000 0.000 0.273 1115 R C -1.356 175.039 176.300 0.159 0.000 0.998 1115 R CA -0.760 55.393 56.100 0.088 0.000 0.900 1115 R CB 1.940 32.249 30.300 0.015 0.000 1.223 1115 R HN 0.522 nan 8.270 nan 0.000 0.466 1116 F N -1.138 118.888 119.950 0.128 0.000 2.640 1116 F HA 0.708 5.235 4.527 -0.000 0.000 0.324 1116 F C -0.904 174.961 175.800 0.109 0.000 1.077 1116 F CA -1.583 56.493 58.000 0.127 0.000 0.965 1116 F CB 1.591 40.715 39.000 0.206 0.000 1.351 1116 F HN 0.375 nan 8.300 nan 0.000 0.487 1117 R N 0.611 121.409 120.500 0.496 0.000 2.664 1117 R HA 0.710 5.050 4.340 -0.000 0.000 0.286 1117 R C -1.719 174.863 176.300 0.471 0.000 0.967 1117 R CA -0.873 55.429 56.100 0.337 0.000 0.933 1117 R CB 1.821 32.236 30.300 0.191 0.000 1.146 1117 R HN 0.940 nan 8.270 nan 0.000 0.468 1118 C N 1.197 120.708 119.300 0.352 0.000 2.535 1118 C HA 0.793 5.253 4.460 -0.000 0.000 0.319 1118 C C -0.204 174.911 174.990 0.208 0.000 1.171 1118 C CA -0.235 58.969 59.018 0.310 0.000 1.394 1118 C CB 0.961 28.933 27.740 0.387 0.000 1.990 1118 C HN 0.968 nan 8.230 nan 0.000 0.466 1119 G N 5.292 114.218 108.800 0.210 0.000 2.513 1119 G HA2 0.778 4.738 3.960 -0.000 0.000 0.317 1119 G HA3 0.778 4.738 3.960 -0.000 0.000 0.317 1119 G C -1.393 173.626 174.900 0.199 0.000 1.277 1119 G CA -0.423 44.785 45.100 0.181 0.000 0.955 1119 G HN 0.848 nan 8.290 nan 0.000 0.484 1120 I N 1.058 121.724 120.570 0.159 0.000 2.582 1120 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 1120 I C -0.918 175.318 176.117 0.199 0.000 1.066 1120 I CA -0.894 60.494 61.300 0.147 0.000 1.053 1120 I CB 2.753 40.794 38.000 0.068 0.000 1.241 1120 I HN 0.628 nan 8.210 nan 0.000 0.421 1121 H N 4.483 123.600 119.070 0.078 0.000 2.961 1121 H HA 0.470 5.026 4.556 -0.000 0.000 0.371 1121 H C -1.670 173.696 175.328 0.064 0.000 1.190 1121 H CA -0.450 55.639 56.048 0.069 0.000 1.138 1121 H CB 2.201 32.012 29.762 0.082 0.000 1.816 1121 H HN 0.583 nan 8.280 nan 0.000 0.551 1122 Q N 2.908 122.351 119.800 -0.595 0.000 2.356 1122 Q HA 0.646 4.986 4.340 -0.000 0.000 0.270 1122 Q C -1.140 174.507 176.000 -0.588 0.000 1.058 1122 Q CA -0.436 55.128 55.803 -0.399 0.000 0.802 1122 Q CB 1.936 30.589 28.738 -0.142 0.000 1.303 1122 Q HN 1.034 nan 8.270 nan 0.000 0.444 1123 G N 2.015 110.650 108.800 -0.275 0.000 2.313 1123 G HA2 0.219 4.179 3.960 -0.000 0.000 0.296 1123 G HA3 0.219 4.179 3.960 -0.000 0.000 0.296 1123 G C -1.330 173.550 174.900 -0.034 0.000 1.356 1123 G CA -0.933 44.082 45.100 -0.141 0.000 0.833 1123 G HN 0.436 nan 8.290 nan 0.000 0.552 1124 M N 0.451 120.057 119.600 0.009 0.000 2.243 1124 M HA 0.664 5.144 4.480 -0.000 0.000 0.341 1124 M C 0.528 176.849 176.300 0.035 0.000 1.130 1124 M CA -0.102 55.212 55.300 0.024 0.000 1.162 1124 M CB 0.544 33.162 32.600 0.031 0.000 1.497 1124 M HN 1.511 nan 8.290 nan 0.000 0.456 1125 A N 2.136 124.974 122.820 0.031 0.000 2.612 1125 A HA 0.655 4.975 4.320 -0.000 0.000 0.293 1125 A C -1.318 176.289 177.584 0.038 0.000 1.075 1125 A CA -0.762 51.293 52.037 0.031 0.000 0.680 1125 A CB 1.169 20.182 19.000 0.021 0.000 1.279 1125 A HN 0.475 nan 8.150 nan 0.000 0.411 1126 V N 1.595 121.541 119.914 0.054 0.000 2.389 1126 V HA 0.439 4.559 4.120 -0.000 0.000 0.264 1126 V C -0.161 176.032 176.094 0.166 0.000 1.049 1126 V CA -0.252 62.123 62.300 0.123 0.000 0.932 1126 V CB 0.666 32.609 31.823 0.200 0.000 1.011 1126 V HN 0.608 nan 8.190 nan 0.000 0.475 1127 V N 4.417 124.384 119.914 0.088 0.000 2.555 1127 V HA 1.042 5.162 4.120 -0.000 0.000 0.302 1127 V C 0.594 176.619 176.094 -0.114 0.000 1.038 1127 V CA 0.427 62.710 62.300 -0.029 0.000 0.887 1127 V CB 1.283 33.052 31.823 -0.090 0.000 0.991 1127 V HN 1.148 nan 8.190 nan 0.000 0.434 1128 G N 2.955 111.540 108.800 -0.358 0.000 2.350 1128 G HA2 0.182 4.142 3.960 -0.000 0.000 0.276 1128 G HA3 0.182 4.142 3.960 -0.000 0.000 0.276 1128 G C -1.656 173.062 174.900 -0.303 0.000 1.313 1128 G CA -1.079 43.844 45.100 -0.294 0.000 0.903 1128 G HN 0.593 nan 8.290 nan 0.000 0.490 1129 L N 0.479 121.600 121.223 -0.169 0.000 2.319 1129 L HA 0.574 4.914 4.340 -0.000 0.000 0.280 1129 L C -0.709 175.957 176.870 -0.340 0.000 1.099 1129 L CA -0.191 54.597 54.840 -0.086 0.000 0.828 1129 L CB 0.463 42.525 42.059 0.005 0.000 1.150 1129 L HN 0.342 nan 8.230 nan 0.000 0.442 1130 F N 1.841 121.777 119.950 -0.023 0.000 2.507 1130 F HA 0.779 5.306 4.527 -0.000 0.000 0.325 1130 F C 0.745 176.542 175.800 -0.005 0.000 1.116 1130 F CA -0.144 57.842 58.000 -0.023 0.000 0.930 1130 F CB 2.037 41.011 39.000 -0.043 0.000 1.146 1130 F HN 0.608 nan 8.300 nan 0.000 0.447 1131 G N 1.292 110.182 108.800 0.150 0.000 2.260 1131 G HA2 0.324 4.284 3.960 -0.000 0.000 0.250 1131 G HA3 0.324 4.284 3.960 -0.000 0.000 0.250 1131 G C -1.190 173.740 174.900 0.051 0.000 1.340 1131 G CA -0.351 44.806 45.100 0.096 0.000 1.056 1131 G HN 0.963 nan 8.290 nan 0.000 0.471 1132 S N -1.310 114.413 115.700 0.038 0.000 2.806 1132 S HA 0.617 5.087 4.470 -0.000 0.000 0.315 1132 S C 0.878 175.489 174.600 0.017 0.000 1.127 1132 S CA 0.214 58.428 58.200 0.023 0.000 0.918 1132 S CB 1.910 65.124 63.200 0.023 0.000 1.240 1132 S HN 0.661 nan 8.310 nan 0.000 0.552 1133 Q N 0.396 120.202 119.800 0.011 0.000 2.224 1133 Q HA 0.049 4.389 4.340 -0.000 0.000 0.203 1133 Q C 1.514 177.521 176.000 0.012 0.000 0.970 1133 Q CA 1.536 57.344 55.803 0.009 0.000 0.865 1133 Q CB -0.435 28.306 28.738 0.005 0.000 0.922 1133 Q HN 0.723 nan 8.270 nan 0.000 0.445 1134 E N -0.257 119.952 120.200 0.015 0.000 2.158 1134 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 1134 E C -0.086 176.527 176.600 0.021 0.000 0.982 1134 E CA 0.596 57.006 56.400 0.016 0.000 0.823 1134 E CB 0.328 30.038 29.700 0.016 0.000 0.766 1134 E HN -0.045 nan 8.360 nan 0.000 0.468 1135 R N -0.471 120.045 120.500 0.026 0.000 2.560 1135 R HA 0.378 4.718 4.340 -0.000 0.000 0.267 1135 R C -1.736 174.589 176.300 0.043 0.000 1.150 1135 R CA -0.203 55.917 56.100 0.033 0.000 0.997 1135 R CB 0.732 31.051 30.300 0.033 0.000 1.250 1135 R HN 0.019 nan 8.270 nan 0.000 0.433 1136 S N 1.849 117.579 115.700 0.049 0.000 2.596 1136 S HA 0.814 5.284 4.470 -0.000 0.000 0.270 1136 S C -1.502 173.147 174.600 0.081 0.000 1.155 1136 S CA -0.886 57.354 58.200 0.067 0.000 0.827 1136 S CB 2.378 65.610 63.200 0.052 0.000 1.130 1136 S HN 0.461 nan 8.310 nan 0.000 0.467 1137 D N 0.001 120.469 120.400 0.113 0.000 2.655 1137 D HA 0.370 5.010 4.640 -0.000 0.000 0.229 1137 D C -1.801 174.614 176.300 0.192 0.000 1.229 1137 D CA -0.379 53.700 54.000 0.132 0.000 0.807 1137 D CB 1.827 42.684 40.800 0.097 0.000 1.514 1137 D HN 0.493 nan 8.370 nan 0.000 0.444 1138 F N 1.593 121.572 119.950 0.048 0.000 2.445 1138 F HA 0.440 4.967 4.527 -0.000 0.000 0.359 1138 F C 0.372 176.214 175.800 0.069 0.000 1.101 1138 F CA 0.683 58.719 58.000 0.060 0.000 1.177 1138 F CB 0.923 39.928 39.000 0.008 0.000 1.110 1138 F HN 0.150 nan 8.300 nan 0.000 0.522 1139 T N 3.659 117.995 114.554 -0.362 0.000 2.653 1139 T HA 0.759 5.109 4.350 -0.000 0.000 0.306 1139 T C -1.811 172.711 174.700 -0.296 0.000 1.426 1139 T CA -0.278 61.668 62.100 -0.256 0.000 1.008 1139 T CB 0.836 69.637 68.868 -0.112 0.000 1.692 1139 T HN 0.837 nan 8.240 nan 0.000 0.483 1140 A N 1.515 124.208 122.820 -0.213 0.000 2.365 1140 A HA 0.825 5.145 4.320 -0.000 0.000 0.318 1140 A C -1.238 176.221 177.584 -0.210 0.000 1.091 1140 A CA -0.603 51.336 52.037 -0.163 0.000 0.763 1140 A CB 0.847 19.788 19.000 -0.099 0.000 1.248 1140 A HN 0.622 nan 8.150 nan 0.000 0.442 1141 I N 0.977 121.415 120.570 -0.219 0.000 2.582 1141 I HA 0.816 4.986 4.170 -0.000 0.000 0.292 1141 I C 0.449 176.508 176.117 -0.097 0.000 1.066 1141 I CA 0.162 61.311 61.300 -0.251 0.000 1.053 1141 I CB 1.178 38.862 38.000 -0.527 0.000 1.241 1141 I HN 1.227 nan 8.210 nan 0.000 0.421 1142 G N 7.001 115.764 108.800 -0.061 0.000 2.339 1142 G HA2 0.099 4.059 3.960 -0.000 0.000 0.381 1142 G HA3 0.099 4.059 3.960 -0.000 0.000 0.381 1142 G C -2.674 172.235 174.900 0.016 0.000 1.400 1142 G CA -0.574 44.520 45.100 -0.011 0.000 1.002 1142 G HN 0.328 nan 8.290 nan 0.000 0.633 1143 P HA -0.061 nan 4.420 nan 0.000 0.221 1143 P C 1.751 179.089 177.300 0.064 0.000 1.145 1143 P CA 1.733 64.850 63.100 0.029 0.000 0.795 1143 P CB 0.086 31.801 31.700 0.025 0.000 0.775 1144 S N -0.189 115.584 115.700 0.122 0.000 2.382 1144 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 1144 S C 2.071 176.831 174.600 0.266 0.000 1.027 1144 S CA 1.214 59.572 58.200 0.263 0.000 0.991 1144 S CB -0.937 62.391 63.200 0.214 0.000 0.823 1144 S HN 0.030 nan 8.310 nan 0.000 0.469 1145 V N 2.588 122.604 119.914 0.170 0.000 2.307 1145 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 1145 V C 2.267 178.475 176.094 0.190 0.000 1.045 1145 V CA 1.927 64.362 62.300 0.225 0.000 1.024 1145 V CB -1.035 30.885 31.823 0.162 0.000 0.651 1145 V HN 0.519 nan 8.190 nan 0.000 0.449 1146 N N 0.849 119.585 118.700 0.059 0.000 2.061 1146 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 1146 N C 1.647 177.122 175.510 -0.059 0.000 1.030 1146 N CA 2.075 55.105 53.050 -0.033 0.000 0.856 1146 N CB -0.361 38.104 38.487 -0.038 0.000 1.023 1146 N HN 0.499 nan 8.380 nan 0.000 0.424 1147 I N 0.191 120.727 120.570 -0.056 0.000 2.163 1147 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 1147 I C 2.433 178.505 176.117 -0.075 0.000 1.085 1147 I CA 1.311 62.517 61.300 -0.157 0.000 1.347 1147 I CB -0.676 37.051 38.000 -0.454 0.000 1.044 1147 I HN 0.298 nan 8.210 nan 0.000 0.408 1148 A N 0.799 123.675 122.820 0.094 0.000 1.908 1148 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 1148 A C 2.542 180.226 177.584 0.167 0.000 1.181 1148 A CA 2.103 54.301 52.037 0.269 0.000 0.627 1148 A CB -0.872 18.432 19.000 0.507 0.000 0.818 1148 A HN 0.470 nan 8.150 nan 0.000 0.445 1149 A N -0.685 122.035 122.820 -0.166 0.000 1.930 1149 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 1149 A C 2.158 179.577 177.584 -0.275 0.000 1.175 1149 A CA 1.439 53.082 52.037 -0.657 0.000 0.627 1149 A CB -0.378 18.055 19.000 -0.946 0.000 0.815 1149 A HN 0.387 nan 8.150 nan 0.000 0.443 1150 R N -0.177 120.225 120.500 -0.163 0.000 2.115 1150 R HA 0.066 4.406 4.340 -0.000 0.000 0.226 1150 R C 1.943 178.211 176.300 -0.054 0.000 1.100 1150 R CA 0.840 56.879 56.100 -0.101 0.000 0.980 1150 R CB -1.039 29.210 30.300 -0.085 0.000 0.875 1150 R HN 0.589 nan 8.270 nan 0.000 0.445 1151 L N 0.960 122.164 121.223 -0.031 0.000 2.093 1151 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 1151 L C 2.789 179.679 176.870 0.033 0.000 1.085 1151 L CA 1.139 55.982 54.840 0.005 0.000 0.755 1151 L CB -0.504 41.572 42.059 0.029 0.000 0.904 1151 L HN 0.177 nan 8.230 nan 0.000 0.435 1152 Q N 1.052 120.879 119.800 0.045 0.000 2.084 1152 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 1152 Q C 1.786 177.816 176.000 0.049 0.000 0.978 1152 Q CA 1.842 57.693 55.803 0.081 0.000 0.844 1152 Q CB 0.009 28.811 28.738 0.107 0.000 0.898 1152 Q HN 0.597 nan 8.270 nan 0.000 0.426 1153 E N -0.124 120.076 120.200 -0.001 0.000 2.208 1153 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 1153 E C 1.766 178.371 176.600 0.008 0.000 0.988 1153 E CA 0.741 57.140 56.400 -0.002 0.000 0.828 1153 E CB 0.001 29.680 29.700 -0.035 0.000 0.763 1153 E HN 0.436 nan 8.360 nan 0.000 0.478 1154 A N 1.051 123.874 122.820 0.005 0.000 2.072 1154 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 1154 A C 1.594 179.189 177.584 0.018 0.000 1.156 1154 A CA 0.503 52.544 52.037 0.007 0.000 0.701 1154 A CB 0.001 19.000 19.000 -0.001 0.000 0.816 1154 A HN 0.141 nan 8.150 nan 0.000 0.458 1155 T N -0.062 114.510 114.554 0.030 0.000 2.828 1155 T HA 0.522 4.872 4.350 -0.000 0.000 0.290 1155 T C 0.421 175.142 174.700 0.035 0.000 1.019 1155 T CA 0.033 62.154 62.100 0.035 0.000 1.031 1155 T CB 0.619 69.517 68.868 0.050 0.000 1.001 1155 T HN 0.534 nan 8.240 nan 0.000 0.531 1156 A N 3.846 126.681 122.820 0.026 0.000 2.313 1156 A HA 0.605 4.925 4.320 -0.000 0.000 0.261 1156 A C -2.386 175.208 177.584 0.017 0.000 1.090 1156 A CA -1.497 50.552 52.037 0.020 0.000 0.807 1156 A CB -0.434 18.572 19.000 0.010 0.000 1.055 1156 A HN 0.642 nan 8.150 nan 0.000 0.492 1157 P HA 0.066 nan 4.420 nan 0.000 0.266 1157 P C -0.243 177.025 177.300 -0.053 0.000 1.195 1157 P CA 0.613 63.710 63.100 -0.004 0.000 0.768 1157 P CB 0.135 31.837 31.700 0.003 0.000 0.838 1158 N N -0.739 117.880 118.700 -0.135 0.000 2.721 1158 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 1158 N C -0.543 174.875 175.510 -0.154 0.000 1.072 1158 N CA 1.442 54.347 53.050 -0.242 0.000 0.710 1158 N CB -1.506 36.877 38.487 -0.174 0.000 0.993 1158 N HN 0.526 nan 8.380 nan 0.000 0.547 1159 S N -1.408 114.241 115.700 -0.085 0.000 2.632 1159 S HA 0.844 5.314 4.470 -0.000 0.000 0.289 1159 S C -0.308 174.314 174.600 0.035 0.000 1.115 1159 S CA -1.000 57.187 58.200 -0.022 0.000 0.889 1159 S CB 2.461 65.661 63.200 -0.001 0.000 1.116 1159 S HN 0.150 nan 8.310 nan 0.000 0.486 1160 I N 1.685 122.285 120.570 0.049 0.000 2.410 1160 I HA 0.408 4.578 4.170 -0.000 0.000 0.286 1160 I C -0.611 175.543 176.117 0.063 0.000 1.009 1160 I CA -0.407 60.944 61.300 0.084 0.000 1.111 1160 I CB 1.760 39.809 38.000 0.082 0.000 1.262 1160 I HN 0.621 nan 8.210 nan 0.000 0.443 1161 M N 8.440 128.083 119.600 0.073 0.000 2.227 1161 M HA 0.660 5.140 4.480 -0.000 0.000 0.335 1161 M C -1.135 175.201 176.300 0.061 0.000 1.053 1161 M CA -0.641 54.690 55.300 0.051 0.000 0.973 1161 M CB 1.641 34.267 32.600 0.042 0.000 1.623 1161 M HN 0.492 nan 8.290 nan 0.000 0.434 1162 V N 1.898 121.840 119.914 0.046 0.000 3.046 1162 V HA 0.847 4.967 4.120 -0.000 0.000 0.316 1162 V C -0.189 175.934 176.094 0.049 0.000 1.104 1162 V CA -0.595 61.743 62.300 0.064 0.000 1.006 1162 V CB 1.591 33.449 31.823 0.059 0.000 1.058 1162 V HN 0.943 nan 8.190 nan 0.000 0.440 1163 S N 1.568 117.328 115.700 0.100 0.000 2.681 1163 S HA 0.687 5.157 4.470 -0.000 0.000 0.270 1163 S C 1.358 175.987 174.600 0.048 0.000 1.209 1163 S CA -0.022 58.230 58.200 0.087 0.000 0.988 1163 S CB 1.196 64.561 63.200 0.274 0.000 1.006 1163 S HN 1.938 nan 8.310 nan 0.000 0.558 1164 A N 0.591 123.413 122.820 0.003 0.000 1.933 1164 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 1164 A C 2.108 179.689 177.584 -0.006 0.000 1.175 1164 A CA 1.891 53.911 52.037 -0.029 0.000 0.628 1164 A CB -1.022 17.942 19.000 -0.061 0.000 0.814 1164 A HN 0.886 nan 8.150 nan 0.000 0.444 1165 M N -0.394 119.232 119.600 0.043 0.000 2.159 1165 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 1165 M C 1.802 178.135 176.300 0.055 0.000 1.063 1165 M CA 1.746 57.063 55.300 0.027 0.000 1.110 1165 M CB -0.326 32.290 32.600 0.025 0.000 1.374 1165 M HN 0.128 nan 8.290 nan 0.000 0.411 1166 V N -0.096 119.869 119.914 0.086 0.000 2.407 1166 V HA -0.087 4.033 4.120 -0.000 0.000 0.245 1166 V C 2.471 178.635 176.094 0.117 0.000 1.041 1166 V CA 1.507 63.888 62.300 0.135 0.000 1.040 1166 V CB -1.419 30.459 31.823 0.092 0.000 0.671 1166 V HN 0.593 nan 8.190 nan 0.000 0.455 1167 A N 0.831 123.675 122.820 0.040 0.000 2.076 1167 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 1167 A C 2.187 179.746 177.584 -0.042 0.000 1.160 1167 A CA 1.860 53.901 52.037 0.006 0.000 0.653 1167 A CB -0.557 18.433 19.000 -0.017 0.000 0.801 1167 A HN 0.800 nan 8.150 nan 0.000 0.455 1168 Q N -1.897 117.823 119.800 -0.133 0.000 2.364 1168 Q HA -0.169 4.171 4.340 -0.000 0.000 0.209 1168 Q C 1.014 176.806 176.000 -0.348 0.000 0.977 1168 Q CA 1.725 57.358 55.803 -0.285 0.000 0.885 1168 Q CB -0.562 27.909 28.738 -0.444 0.000 0.941 1168 Q HN 0.786 nan 8.270 nan 0.000 0.464 1169 Y N 0.170 120.458 120.300 -0.021 0.000 2.458 1169 Y HA 0.310 4.860 4.550 -0.000 0.000 0.256 1169 Y C 0.166 176.052 175.900 -0.023 0.000 1.159 1169 Y CA -0.642 57.444 58.100 -0.023 0.000 1.261 1169 Y CB 1.189 39.630 38.460 -0.031 0.000 1.119 1169 Y HN -0.114 nan 8.280 nan 0.000 0.524 1170 V N 2.494 122.461 119.914 0.088 0.000 2.394 1170 V HA 0.278 4.398 4.120 -0.000 0.000 0.282 1170 V C -2.177 173.930 176.094 0.021 0.000 1.031 1170 V CA -2.577 59.754 62.300 0.051 0.000 0.881 1170 V CB 1.175 33.020 31.823 0.037 0.000 0.982 1170 V HN -0.046 nan 8.190 nan 0.000 0.451 1171 P HA -0.006 nan 4.420 nan 0.000 0.264 1171 P C 0.743 178.045 177.300 0.003 0.000 1.183 1171 P CA 0.088 63.194 63.100 0.009 0.000 0.763 1171 P CB 0.449 32.154 31.700 0.010 0.000 0.807 1172 D N 3.117 123.515 120.400 -0.002 0.000 2.221 1172 D HA -0.252 4.388 4.640 -0.000 0.000 0.204 1172 D C 1.228 177.527 176.300 -0.001 0.000 0.982 1172 D CA 1.237 55.235 54.000 -0.004 0.000 0.857 1172 D CB -0.328 40.469 40.800 -0.006 0.000 0.934 1172 D HN 0.586 nan 8.370 nan 0.000 0.475 1173 E N 0.756 120.956 120.200 0.001 0.000 2.338 1173 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 1173 E C 1.296 177.898 176.600 0.002 0.000 1.007 1173 E CA 0.636 57.037 56.400 0.002 0.000 0.849 1173 E CB 0.075 29.776 29.700 0.002 0.000 0.774 1173 E HN 0.409 nan 8.360 nan 0.000 0.506 1174 E N -0.124 120.078 120.200 0.003 0.000 2.474 1174 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 1174 E C -0.115 176.487 176.600 0.004 0.000 1.039 1174 E CA -0.200 56.202 56.400 0.005 0.000 0.881 1174 E CB 0.557 30.261 29.700 0.007 0.000 0.970 1174 E HN 0.276 nan 8.360 nan 0.000 0.486 1175 I N 1.574 122.146 120.570 0.002 0.000 2.312 1175 I HA 0.051 4.221 4.170 -0.000 0.000 0.291 1175 I C 0.637 176.754 176.117 0.000 0.000 1.031 1175 I CA -0.266 61.034 61.300 0.000 0.000 1.293 1175 I CB 0.978 38.975 38.000 -0.005 0.000 1.403 1175 I HN 0.004 nan 8.210 nan 0.000 0.484 1176 I N 5.082 125.653 120.570 0.001 0.000 3.035 1176 I HA 0.097 4.267 4.170 -0.000 0.000 0.271 1176 I C 0.751 176.870 176.117 0.002 0.000 1.190 1176 I CA 0.876 62.177 61.300 0.002 0.000 1.472 1176 I CB -0.179 37.823 38.000 0.002 0.000 1.116 1176 I HN 0.462 nan 8.210 nan 0.000 0.443 1177 K N 0.837 121.237 120.400 -0.000 0.000 2.565 1177 K HA 0.468 4.788 4.320 -0.000 0.000 0.251 1177 K C -0.940 175.655 176.600 -0.008 0.000 0.956 1177 K CA -0.567 55.719 56.287 0.000 0.000 0.809 1177 K CB 1.502 34.004 32.500 0.003 0.000 1.267 1177 K HN -0.127 nan 8.250 nan 0.000 0.438 1178 R N 2.440 122.935 120.500 -0.007 0.000 2.532 1178 R HA 0.392 4.732 4.340 -0.000 0.000 0.295 1178 R C -1.073 175.222 176.300 -0.008 0.000 0.968 1178 R CA -0.800 55.285 56.100 -0.025 0.000 0.916 1178 R CB 1.948 32.237 30.300 -0.019 0.000 1.124 1178 R HN 0.727 nan 8.270 nan 0.000 0.463 1179 E N 2.700 122.876 120.200 -0.040 0.000 2.748 1179 E HA 0.093 4.443 4.350 -0.000 0.000 0.320 1179 E C -1.549 175.041 176.600 -0.018 0.000 0.996 1179 E CA -0.453 55.960 56.400 0.022 0.000 0.835 1179 E CB 0.862 30.580 29.700 0.030 0.000 1.265 1179 E HN 0.303 nan 8.360 nan 0.000 0.420 1180 F N 3.843 123.794 119.950 0.002 0.000 2.443 1180 F HA 0.395 4.922 4.527 -0.000 0.000 0.353 1180 F C 0.200 175.999 175.800 -0.003 0.000 1.101 1180 F CA 0.353 58.352 58.000 -0.000 0.000 1.226 1180 F CB 0.624 39.623 39.000 -0.001 0.000 1.140 1180 F HN 0.284 nan 8.300 nan 0.000 0.557 1181 L N 2.681 123.985 121.223 0.135 0.000 2.350 1181 L HA 0.442 4.782 4.340 -0.000 0.000 0.260 1181 L C -0.785 176.128 176.870 0.073 0.000 1.015 1181 L CA -1.022 53.867 54.840 0.081 0.000 0.821 1181 L CB 2.400 44.475 42.059 0.027 0.000 1.370 1181 L HN 0.452 nan 8.230 nan 0.000 0.416 1182 E N 2.644 122.873 120.200 0.048 0.000 2.115 1182 E HA 0.482 4.832 4.350 -0.000 0.000 0.282 1182 E C -1.270 175.335 176.600 0.010 0.000 0.987 1182 E CA -0.364 56.056 56.400 0.033 0.000 0.797 1182 E CB 1.560 31.276 29.700 0.026 0.000 1.086 1182 E HN 0.303 nan 8.360 nan 0.000 0.397 1183 L N 3.990 125.212 121.223 -0.001 0.000 2.307 1183 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 1183 L C 0.284 177.140 176.870 -0.022 0.000 1.023 1183 L CA -1.126 53.702 54.840 -0.021 0.000 0.810 1183 L CB 1.159 43.193 42.059 -0.040 0.000 1.231 1183 L HN 0.387 nan 8.230 nan 0.000 0.423 1184 K N 1.599 121.983 120.400 -0.027 0.000 2.472 1184 K HA 0.305 4.625 4.320 -0.000 0.000 0.280 1184 K C 0.865 177.446 176.600 -0.031 0.000 1.028 1184 K CA 0.469 56.740 56.287 -0.026 0.000 1.045 1184 K CB 0.258 32.741 32.500 -0.029 0.000 0.902 1184 K HN 0.893 nan 8.250 nan 0.000 0.478 1185 G N 2.804 111.591 108.800 -0.023 0.000 2.284 1185 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 1185 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 1185 G C 0.080 174.970 174.900 -0.016 0.000 1.009 1185 G CA -0.037 45.049 45.100 -0.023 0.000 0.625 1185 G HN 0.799 nan 8.290 nan 0.000 0.501 1186 I N -0.098 120.462 120.570 -0.016 0.000 2.420 1186 I HA 0.465 4.635 4.170 -0.000 0.000 0.282 1186 I C 1.109 177.226 176.117 0.001 0.000 1.019 1186 I CA -0.443 60.852 61.300 -0.008 0.000 1.130 1186 I CB 1.298 39.289 38.000 -0.015 0.000 1.262 1186 I HN 0.105 nan 8.210 nan 0.000 0.454 1187 D N 5.691 126.094 120.400 0.005 0.000 2.126 1187 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 1187 D C 0.411 176.720 176.300 0.015 0.000 1.001 1187 D CA 1.488 55.492 54.000 0.008 0.000 0.841 1187 D CB -0.274 40.530 40.800 0.007 0.000 0.949 1187 D HN 0.854 nan 8.370 nan 0.000 0.446 1188 E N 2.578 122.792 120.200 0.023 0.000 2.373 1188 E HA 0.260 4.610 4.350 -0.000 0.000 0.267 1188 E C -2.160 174.477 176.600 0.062 0.000 1.032 1188 E CA -1.870 54.553 56.400 0.038 0.000 0.889 1188 E CB 0.328 30.054 29.700 0.045 0.000 0.984 1188 E HN 0.111 nan 8.360 nan 0.000 0.425 1189 P HA -0.006 nan 4.420 nan 0.000 0.272 1189 P C -0.771 176.668 177.300 0.232 0.000 1.223 1189 P CA -0.389 62.811 63.100 0.167 0.000 0.784 1189 P CB 1.256 33.078 31.700 0.203 0.000 0.923 1190 V N 3.965 123.966 119.914 0.146 0.000 2.604 1190 V HA 0.443 4.563 4.120 -0.000 0.000 0.305 1190 V C -0.196 175.765 176.094 -0.223 0.000 1.043 1190 V CA -1.185 61.118 62.300 0.004 0.000 0.888 1190 V CB 1.767 33.559 31.823 -0.051 0.000 0.995 1190 V HN 0.538 nan 8.190 nan 0.000 0.429 1191 M N 6.780 126.078 119.600 -0.502 0.000 2.217 1191 M HA 0.455 4.935 4.480 -0.000 0.000 0.352 1191 M C 0.018 176.117 176.300 -0.334 0.000 1.376 1191 M CA 0.540 55.377 55.300 -0.771 0.000 1.107 1191 M CB 0.458 32.582 32.600 -0.793 0.000 1.723 1191 M HN 0.912 nan 8.290 nan 0.000 0.461 1192 T N 2.590 116.990 114.554 -0.257 0.000 2.885 1192 T HA 0.786 5.136 4.350 -0.000 0.000 0.285 1192 T C -0.931 173.713 174.700 -0.093 0.000 1.019 1192 T CA -0.854 61.172 62.100 -0.122 0.000 1.010 1192 T CB 0.940 69.764 68.868 -0.072 0.000 1.022 1192 T HN 0.740 nan 8.240 nan 0.000 0.466 1193 C N 3.057 122.328 119.300 -0.049 0.000 2.383 1193 C HA 0.580 5.040 4.460 -0.000 0.000 0.330 1193 C C 0.182 175.169 174.990 -0.005 0.000 1.168 1193 C CA -0.932 58.068 59.018 -0.030 0.000 1.374 1193 C CB 0.446 28.169 27.740 -0.028 0.000 2.014 1193 C HN 0.880 nan 8.230 nan 0.000 0.439 1194 V N 5.656 125.568 119.914 -0.002 0.000 2.488 1194 V HA 0.304 4.424 4.120 -0.000 0.000 0.277 1194 V C 0.301 176.400 176.094 0.009 0.000 1.046 1194 V CA 0.113 62.419 62.300 0.009 0.000 0.986 1194 V CB 0.546 32.373 31.823 0.007 0.000 0.989 1194 V HN 0.611 nan 8.190 nan 0.000 0.475 1195 I N 3.945 124.525 120.570 0.016 0.000 2.498 1195 I HA 0.287 4.457 4.170 -0.000 0.000 0.301 1195 I C 0.532 176.656 176.117 0.012 0.000 0.984 1195 I CA -0.712 60.597 61.300 0.014 0.000 1.204 1195 I CB 1.205 39.217 38.000 0.020 0.000 1.362 1195 I HN 0.582 nan 8.210 nan 0.000 0.471 1196 N N 7.790 126.495 118.700 0.009 0.000 2.440 1196 N HA 0.037 4.777 4.740 -0.000 0.000 0.265 1196 N C -1.672 173.842 175.510 0.008 0.000 1.239 1196 N CA -0.900 52.153 53.050 0.006 0.000 0.909 1196 N CB 1.260 39.750 38.487 0.004 0.000 1.066 1196 N HN 0.346 nan 8.380 nan 0.000 0.474 1197 P HA -0.032 nan 4.420 nan 0.000 0.229 1197 P C 0.030 177.334 177.300 0.006 0.000 1.160 1197 P CA 0.567 63.671 63.100 0.006 0.000 0.777 1197 P CB 0.414 32.107 31.700 -0.011 0.000 0.814 1198 N N -1.216 117.486 118.700 0.003 0.000 3.721 1198 N HA -0.291 4.449 4.740 -0.000 0.000 0.208 1198 N C 0.846 176.357 175.510 0.002 0.000 0.203 1198 N CA 3.553 56.604 53.050 0.003 0.000 2.712 1198 N CB -1.496 36.994 38.487 0.005 0.000 1.282 1198 N HN 0.344 nan 8.380 nan 0.000 0.366 1199 M N 0.000 119.603 119.600 0.005 0.000 2.572 1199 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1199 M CA 0.000 nan 55.300 nan 0.000 0.988 1199 M CB 0.000 nan 32.600 nan 0.000 1.302 1199 M HN 0.000 nan 8.290 nan 0.000 0.411