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 2nxz_1_B DATA FIRST_RESID 1001 DATA SEQUENCE KKVVLGKKGD TVELTcTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYIcEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQc RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTcT VLQNQKKVEF KIDIVVLAFQ K 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 1001 K HA 0.000 nan 4.320 nan 0.000 0.191 1001 K C 0.000 176.631 176.600 0.052 0.000 0.988 1001 K CA 0.000 56.312 56.287 0.042 0.000 0.838 1001 K CB 0.000 32.521 32.500 0.035 0.000 1.064 1002 K N 2.029 122.465 120.400 0.060 0.000 2.412 1002 K HA 0.160 4.480 4.320 -0.000 0.000 0.284 1002 K C -0.599 176.052 176.600 0.084 0.000 1.046 1002 K CA 0.087 56.416 56.287 0.070 0.000 0.999 1002 K CB 0.856 33.401 32.500 0.076 0.000 0.941 1002 K HN 0.067 nan 8.250 nan 0.000 0.474 1003 V N 4.510 124.472 119.914 0.079 0.000 2.513 1003 V HA 0.410 4.530 4.120 -0.000 0.000 0.299 1003 V C -0.236 175.912 176.094 0.090 0.000 1.035 1003 V CA -0.928 61.426 62.300 0.089 0.000 0.889 1003 V CB 2.022 33.897 31.823 0.086 0.000 0.988 1003 V HN 0.422 nan 8.190 nan 0.000 0.440 1004 V N 5.650 125.624 119.914 0.100 0.000 2.577 1004 V HA 0.475 4.595 4.120 -0.000 0.000 0.303 1004 V C -0.387 175.770 176.094 0.106 0.000 1.042 1004 V CA -0.503 61.850 62.300 0.088 0.000 0.872 1004 V CB 1.927 33.794 31.823 0.073 0.000 0.998 1004 V HN 0.639 nan 8.190 nan 0.000 0.423 1005 L N 4.067 125.358 121.223 0.114 0.000 2.325 1005 L HA 0.851 5.191 4.340 -0.000 0.000 0.279 1005 L C 0.722 177.661 176.870 0.116 0.000 1.054 1005 L CA -0.171 54.771 54.840 0.171 0.000 0.804 1005 L CB 1.511 43.696 42.059 0.211 0.000 1.200 1005 L HN 0.760 nan 8.230 nan 0.000 0.436 1006 G N 1.877 110.757 108.800 0.133 0.000 2.569 1006 G HA2 0.611 4.571 3.960 -0.000 0.000 0.300 1006 G HA3 0.611 4.571 3.960 -0.000 0.000 0.300 1006 G C -1.328 173.646 174.900 0.125 0.000 1.269 1006 G CA -0.627 44.518 45.100 0.076 0.000 0.959 1006 G HN 0.475 nan 8.290 nan 0.000 0.478 1007 K N 0.503 120.939 120.400 0.061 0.000 2.164 1007 K HA 0.319 4.639 4.320 -0.000 0.000 0.258 1007 K C -0.065 176.617 176.600 0.138 0.000 0.951 1007 K CA -0.778 55.578 56.287 0.114 0.000 0.844 1007 K CB 2.429 34.872 32.500 -0.096 0.000 1.099 1007 K HN 0.446 nan 8.250 nan 0.000 0.435 1008 K N 0.987 121.519 120.400 0.220 0.000 2.453 1008 K HA -0.066 4.254 4.320 -0.000 0.000 0.280 1008 K C 0.676 177.338 176.600 0.103 0.000 1.045 1008 K CA 1.360 57.730 56.287 0.138 0.000 1.059 1008 K CB -0.063 32.522 32.500 0.140 0.000 0.901 1008 K HN 0.832 nan 8.250 nan 0.000 0.475 1009 G N 3.227 112.063 108.800 0.059 0.000 2.268 1009 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.240 1009 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.240 1009 G C 0.014 174.929 174.900 0.025 0.000 1.010 1009 G CA 0.220 45.345 45.100 0.041 0.000 0.618 1009 G HN 0.687 nan 8.290 nan 0.000 0.516 1010 D N 0.667 121.080 120.400 0.022 0.000 2.414 1010 D HA 0.597 5.236 4.640 -0.000 0.000 0.251 1010 D C 0.663 176.956 176.300 -0.013 0.000 1.252 1010 D CA 0.623 54.623 54.000 -0.000 0.000 0.999 1010 D CB 0.560 41.352 40.800 -0.014 0.000 1.093 1010 D HN 0.098 nan 8.370 nan 0.000 0.515 1011 T N -0.009 114.531 114.554 -0.024 0.000 2.859 1011 T HA 0.518 4.868 4.350 -0.000 0.000 0.281 1011 T C -0.706 173.967 174.700 -0.045 0.000 1.005 1011 T CA -0.557 61.521 62.100 -0.037 0.000 1.025 1011 T CB 1.480 70.326 68.868 -0.036 0.000 0.977 1011 T HN 0.059 nan 8.240 nan 0.000 0.458 1012 V N 2.284 122.159 119.914 -0.065 0.000 2.823 1012 V HA 0.615 4.735 4.120 -0.000 0.000 0.312 1012 V C -1.013 175.020 176.094 -0.102 0.000 1.072 1012 V CA -0.865 61.391 62.300 -0.073 0.000 0.937 1012 V CB 2.026 33.806 31.823 -0.071 0.000 1.013 1012 V HN 0.968 nan 8.190 nan 0.000 0.430 1013 E N 5.330 125.479 120.200 -0.085 0.000 2.141 1013 E HA 0.473 4.823 4.350 -0.000 0.000 0.259 1013 E C -1.457 175.089 176.600 -0.090 0.000 0.883 1013 E CA -0.554 55.788 56.400 -0.096 0.000 0.744 1013 E CB 1.166 30.832 29.700 -0.055 0.000 1.150 1013 E HN 0.697 nan 8.360 nan 0.000 0.420 1014 L N 4.338 125.456 121.223 -0.174 0.000 2.290 1014 L HA 0.344 4.684 4.340 -0.000 0.000 0.284 1014 L C 0.666 177.564 176.870 0.047 0.000 1.078 1014 L CA -0.652 54.118 54.840 -0.117 0.000 0.815 1014 L CB 1.015 42.873 42.059 -0.335 0.000 1.162 1014 L HN 0.574 nan 8.230 nan 0.000 0.435 1015 T N -0.552 114.114 114.554 0.186 0.000 2.922 1015 T HA 0.490 4.839 4.350 -0.000 0.000 0.285 1015 T C -0.404 174.510 174.700 0.356 0.000 1.005 1015 T CA -0.717 61.517 62.100 0.223 0.000 1.061 1015 T CB 1.779 70.711 68.868 0.108 0.000 1.007 1015 T HN 0.659 nan 8.240 nan 0.000 0.502 1016 c N 2.809 121.568 118.600 0.265 0.000 2.607 1016 c HA 0.678 5.247 4.570 -0.000 0.000 0.350 1016 c C -0.652 173.488 174.090 0.084 0.000 1.101 1016 c CA -0.235 56.183 56.329 0.149 0.000 1.282 1016 c CB 0.297 42.862 42.510 0.090 0.000 1.825 1016 c HN 1.107 nan 8.230 nan 0.000 0.460 1017 T N 4.892 119.475 114.554 0.048 0.000 2.841 1017 T HA 0.715 5.064 4.350 -0.000 0.000 0.285 1017 T C 0.133 174.868 174.700 0.059 0.000 0.991 1017 T CA -0.135 61.975 62.100 0.017 0.000 0.966 1017 T CB 1.582 70.445 68.868 -0.008 0.000 0.962 1017 T HN 1.057 nan 8.240 nan 0.000 0.438 1018 A N 1.932 124.824 122.820 0.121 0.000 2.257 1018 A HA 0.634 4.954 4.320 -0.000 0.000 0.289 1018 A C 1.491 179.107 177.584 0.054 0.000 1.095 1018 A CA -0.560 51.550 52.037 0.122 0.000 0.836 1018 A CB 0.297 19.446 19.000 0.248 0.000 1.111 1018 A HN 0.742 nan 8.150 nan 0.000 0.497 1019 S N -0.579 115.144 115.700 0.038 0.000 2.447 1019 S HA -0.045 4.425 4.470 -0.000 0.000 0.233 1019 S C 0.842 175.454 174.600 0.020 0.000 1.006 1019 S CA 1.457 59.669 58.200 0.020 0.000 0.957 1019 S CB -0.282 62.925 63.200 0.012 0.000 0.773 1019 S HN 0.765 nan 8.310 nan 0.000 0.507 1020 Q N 0.101 119.922 119.800 0.034 0.000 2.399 1020 Q HA 0.482 4.822 4.340 -0.000 0.000 0.276 1020 Q C -1.411 174.608 176.000 0.032 0.000 1.098 1020 Q CA -0.981 54.840 55.803 0.030 0.000 0.827 1020 Q CB 1.179 29.937 28.738 0.033 0.000 1.386 1020 Q HN -0.116 nan 8.270 nan 0.000 0.443 1021 K N 1.753 122.163 120.400 0.017 0.000 2.155 1021 K HA 0.193 4.512 4.320 -0.000 0.000 0.240 1021 K C -0.794 175.825 176.600 0.032 0.000 1.193 1021 K CA -0.004 56.287 56.287 0.006 0.000 1.104 1021 K CB 0.104 32.601 32.500 -0.006 0.000 1.558 1021 K HN 0.447 nan 8.250 nan 0.000 0.313 1022 K N 0.180 120.622 120.400 0.069 0.000 2.551 1022 K HA 0.184 4.504 4.320 -0.000 0.000 0.269 1022 K C -1.295 175.432 176.600 0.211 0.000 0.949 1022 K CA -0.590 55.762 56.287 0.108 0.000 0.849 1022 K CB 1.993 34.545 32.500 0.087 0.000 1.411 1022 K HN 0.095 nan 8.250 nan 0.000 0.432 1023 S N 4.345 120.184 115.700 0.231 0.000 2.416 1023 S HA 0.427 4.896 4.470 -0.000 0.000 0.287 1023 S C 0.039 174.763 174.600 0.206 0.000 1.139 1023 S CA -0.714 57.699 58.200 0.355 0.000 1.058 1023 S CB -0.564 62.855 63.200 0.364 0.000 0.967 1023 S HN 0.461 nan 8.310 nan 0.000 0.495 1024 I N 1.737 122.384 120.570 0.128 0.000 3.294 1024 I HA 0.551 4.721 4.170 -0.000 0.000 0.311 1024 I C -0.207 175.768 176.117 -0.237 0.000 1.111 1024 I CA -1.433 59.835 61.300 -0.053 0.000 0.976 1024 I CB 1.423 39.396 38.000 -0.045 0.000 1.260 1024 I HN 0.386 nan 8.210 nan 0.000 0.474 1025 Q N 1.722 121.405 119.800 -0.196 0.000 2.311 1025 Q HA 0.295 4.635 4.340 -0.000 0.000 0.272 1025 Q C -1.561 174.255 176.000 -0.307 0.000 1.012 1025 Q CA 0.054 55.718 55.803 -0.231 0.000 0.891 1025 Q CB 0.540 29.195 28.738 -0.137 0.000 1.201 1025 Q HN 0.531 nan 8.270 nan 0.000 0.391 1026 F N 2.558 122.184 119.950 -0.540 0.000 2.599 1026 F HA 0.626 5.153 4.527 -0.000 0.000 0.311 1026 F C -1.379 174.245 175.800 -0.293 0.000 1.076 1026 F CA -0.978 56.671 58.000 -0.585 0.000 0.937 1026 F CB 1.487 39.940 39.000 -0.912 0.000 1.282 1026 F HN 0.551 nan 8.300 nan 0.000 0.460 1027 H N -0.638 118.254 119.070 -0.296 0.000 3.029 1027 H HA 0.327 4.883 4.556 -0.000 0.000 0.358 1027 H C -2.523 172.762 175.328 -0.072 0.000 1.129 1027 H CA -1.201 54.703 56.048 -0.241 0.000 1.230 1027 H CB 1.039 30.681 29.762 -0.200 0.000 1.827 1027 H HN 0.877 nan 8.280 nan 0.000 0.530 1028 W N 2.608 124.008 121.300 0.166 0.000 2.469 1028 W HA 0.544 5.204 4.660 -0.001 0.000 0.320 1028 W C -0.133 176.509 176.519 0.205 0.000 1.086 1028 W CA -0.460 56.999 57.345 0.188 0.000 1.211 1028 W CB 1.823 31.405 29.460 0.203 0.000 1.298 1028 W HN 0.435 nan 8.180 nan 0.000 0.525 1029 K N 2.046 122.710 120.400 0.440 0.000 2.444 1029 K HA 0.359 4.679 4.320 -0.000 0.000 0.252 1029 K C -0.223 176.563 176.600 0.309 0.000 0.993 1029 K CA -1.119 55.355 56.287 0.313 0.000 0.847 1029 K CB 1.705 34.332 32.500 0.212 0.000 1.340 1029 K HN 0.478 nan 8.250 nan 0.000 0.446 1030 N N -1.161 117.641 118.700 0.169 0.000 2.566 1030 N HA 0.047 4.786 4.740 -0.000 0.000 0.299 1030 N C 0.673 176.155 175.510 -0.046 0.000 1.277 1030 N CA -0.358 52.674 53.050 -0.029 0.000 0.965 1030 N CB 0.160 38.567 38.487 -0.133 0.000 1.142 1030 N HN 0.483 nan 8.380 nan 0.000 0.596 1031 S N -1.486 114.139 115.700 -0.125 0.000 2.442 1031 S HA -0.076 4.393 4.470 -0.000 0.000 0.236 1031 S C 0.667 175.246 174.600 -0.036 0.000 1.007 1031 S CA 0.591 58.749 58.200 -0.071 0.000 0.965 1031 S CB -0.557 62.589 63.200 -0.091 0.000 0.773 1031 S HN 0.585 nan 8.310 nan 0.000 0.504 1032 N N 1.136 119.817 118.700 -0.033 0.000 2.314 1032 N HA 0.148 4.887 4.740 -0.000 0.000 0.200 1032 N C -0.113 175.398 175.510 0.001 0.000 1.135 1032 N CA 0.174 53.216 53.050 -0.014 0.000 0.835 1032 N CB 0.069 38.547 38.487 -0.015 0.000 0.989 1032 N HN 0.263 nan 8.380 nan 0.000 0.478 1033 Q N -0.720 119.088 119.800 0.013 0.000 2.460 1033 Q HA -0.165 4.174 4.340 -0.000 0.000 0.248 1033 Q C -0.367 175.652 176.000 0.033 0.000 0.847 1033 Q CA 0.673 56.492 55.803 0.027 0.000 1.214 1033 Q CB -1.684 27.062 28.738 0.014 0.000 1.523 1033 Q HN 0.337 nan 8.270 nan 0.000 0.602 1034 I N 1.531 122.125 120.570 0.039 0.000 2.471 1034 I HA 0.061 4.231 4.170 -0.000 0.000 0.286 1034 I C 1.066 177.232 176.117 0.083 0.000 1.079 1034 I CA 0.121 61.449 61.300 0.048 0.000 1.398 1034 I CB 0.394 38.421 38.000 0.046 0.000 1.403 1034 I HN -0.094 nan 8.210 nan 0.000 0.530 1035 K N 5.891 126.328 120.400 0.062 0.000 2.416 1035 K HA 0.127 4.446 4.320 -0.000 0.000 0.283 1035 K C 0.876 177.544 176.600 0.114 0.000 1.037 1035 K CA -0.084 56.251 56.287 0.081 0.000 0.995 1035 K CB 1.096 33.606 32.500 0.018 0.000 0.938 1035 K HN 0.407 nan 8.250 nan 0.000 0.475 1036 I N 2.579 123.257 120.570 0.180 0.000 2.685 1036 I HA 0.168 4.338 4.170 -0.000 0.000 0.251 1036 I C 0.565 176.767 176.117 0.142 0.000 1.102 1036 I CA 0.709 62.113 61.300 0.174 0.000 1.442 1036 I CB -0.584 37.556 38.000 0.233 0.000 1.194 1036 I HN 0.586 nan 8.210 nan 0.000 0.448 1037 L N -0.785 120.550 121.223 0.186 0.000 2.789 1037 L HA 0.613 4.952 4.340 -0.000 0.000 0.254 1037 L C -1.277 175.667 176.870 0.123 0.000 0.952 1037 L CA -0.287 54.648 54.840 0.158 0.000 0.942 1037 L CB 1.653 43.821 42.059 0.181 0.000 1.502 1037 L HN 0.220 nan 8.230 nan 0.000 0.425 1038 G N 1.698 110.438 108.800 -0.099 0.000 2.570 1038 G HA2 0.448 4.407 3.960 -0.000 0.000 0.310 1038 G HA3 0.448 4.407 3.960 -0.000 0.000 0.310 1038 G C -2.077 172.428 174.900 -0.659 0.000 1.266 1038 G CA -0.188 44.516 45.100 -0.660 0.000 0.825 1038 G HN 0.985 nan 8.290 nan 0.000 0.483 1039 N N -0.491 117.668 118.700 -0.900 0.000 2.328 1039 N HA 0.579 5.319 4.740 -0.000 0.000 0.299 1039 N C -1.259 174.134 175.510 -0.195 0.000 1.179 1039 N CA -0.774 52.025 53.050 -0.417 0.000 0.793 1039 N CB 2.119 40.264 38.487 -0.570 0.000 1.366 1039 N HN 0.296 nan 8.380 nan 0.000 0.493 1040 Q N 0.467 120.272 119.800 0.009 0.000 2.464 1040 Q HA 0.421 4.761 4.340 -0.000 0.000 0.256 1040 Q C 0.682 176.756 176.000 0.123 0.000 1.020 1040 Q CA -0.069 55.769 55.803 0.057 0.000 0.716 1040 Q CB 1.021 29.821 28.738 0.102 0.000 1.230 1040 Q HN 1.054 nan 8.270 nan 0.000 0.494 1041 G N 2.458 111.285 108.800 0.045 0.000 2.596 1041 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.304 1041 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.304 1041 G C 0.532 175.461 174.900 0.048 0.000 1.189 1041 G CA 0.655 45.773 45.100 0.029 0.000 0.986 1041 G HN 0.770 nan 8.290 nan 0.000 0.548 1042 S N 0.086 115.728 115.700 -0.098 0.000 2.572 1042 S HA 0.634 5.104 4.470 -0.000 0.000 0.228 1042 S C 0.119 174.681 174.600 -0.064 0.000 0.963 1042 S CA -0.010 58.167 58.200 -0.038 0.000 0.939 1042 S CB 0.090 63.164 63.200 -0.210 0.000 0.804 1042 S HN 0.540 nan 8.310 nan 0.000 0.480 1043 F N 1.188 121.311 119.950 0.287 0.000 2.458 1043 F HA 0.636 5.163 4.527 -0.000 0.000 0.330 1043 F C -0.142 175.849 175.800 0.319 0.000 1.082 1043 F CA -1.832 56.315 58.000 0.244 0.000 0.995 1043 F CB 1.098 40.176 39.000 0.131 0.000 1.170 1043 F HN 0.019 nan 8.300 nan 0.000 0.478 1044 L N 2.483 124.019 121.223 0.523 0.000 2.326 1044 L HA 0.578 4.917 4.340 -0.000 0.000 0.278 1044 L C 0.151 177.161 176.870 0.233 0.000 1.092 1044 L CA 0.122 55.220 54.840 0.429 0.000 0.810 1044 L CB 0.863 43.164 42.059 0.402 0.000 1.153 1044 L HN 0.785 nan 8.230 nan 0.000 0.439 1045 T N 1.590 116.230 114.554 0.142 0.000 2.888 1045 T HA 0.626 4.975 4.350 -0.000 0.000 0.284 1045 T C -0.450 174.292 174.700 0.070 0.000 1.017 1045 T CA -0.964 61.180 62.100 0.073 0.000 1.022 1045 T CB 1.446 70.325 68.868 0.018 0.000 1.013 1045 T HN 0.602 nan 8.240 nan 0.000 0.465 1046 K N 0.865 121.298 120.400 0.056 0.000 2.316 1046 K HA 0.660 4.980 4.320 -0.000 0.000 0.251 1046 K C 0.307 176.930 176.600 0.038 0.000 0.934 1046 K CA -1.023 55.298 56.287 0.057 0.000 0.802 1046 K CB 2.328 34.862 32.500 0.057 0.000 1.171 1046 K HN 0.863 nan 8.250 nan 0.000 0.426 1047 G N 1.144 109.971 108.800 0.046 0.000 2.535 1047 G HA2 0.298 4.257 3.960 -0.000 0.000 0.303 1047 G HA3 0.298 4.257 3.960 -0.000 0.000 0.303 1047 G C -2.107 172.813 174.900 0.034 0.000 1.237 1047 G CA -1.214 43.907 45.100 0.034 0.000 0.986 1047 G HN 0.383 nan 8.290 nan 0.000 0.494 1048 P HA 0.122 nan 4.420 nan 0.000 0.235 1048 P C 0.319 177.638 177.300 0.032 0.000 1.725 1048 P CA -0.120 62.994 63.100 0.023 0.000 0.894 1048 P CB -0.132 31.576 31.700 0.014 0.000 1.704 1049 S N -0.236 115.491 115.700 0.045 0.000 2.672 1049 S HA 0.305 4.775 4.470 -0.000 0.000 0.276 1049 S C 1.100 175.729 174.600 0.047 0.000 1.207 1049 S CA -0.637 57.596 58.200 0.056 0.000 1.002 1049 S CB 1.345 64.598 63.200 0.088 0.000 0.998 1049 S HN -0.054 nan 8.310 nan 0.000 0.542 1050 K N 0.237 120.667 120.400 0.049 0.000 2.504 1050 K HA 0.086 4.406 4.320 -0.000 0.000 0.195 1050 K C 0.580 177.204 176.600 0.040 0.000 1.036 1050 K CA 0.450 56.760 56.287 0.039 0.000 0.984 1050 K CB -0.469 32.053 32.500 0.036 0.000 0.788 1050 K HN 0.400 nan 8.250 nan 0.000 0.488 1051 L N 0.814 122.067 121.223 0.050 0.000 2.585 1051 L HA 0.008 4.348 4.340 -0.000 0.000 0.226 1051 L C 1.757 178.640 176.870 0.022 0.000 1.113 1051 L CA 0.470 55.330 54.840 0.034 0.000 0.876 1051 L CB -0.646 41.435 42.059 0.036 0.000 1.072 1051 L HN 0.204 nan 8.230 nan 0.000 0.468 1052 N N 1.536 120.254 118.700 0.030 0.000 2.064 1052 N HA -0.282 4.458 4.740 -0.000 0.000 0.200 1052 N C 1.134 176.657 175.510 0.021 0.000 1.028 1052 N CA 2.341 55.408 53.050 0.029 0.000 0.880 1052 N CB -0.000 38.504 38.487 0.028 0.000 1.062 1052 N HN 0.526 nan 8.380 nan 0.000 0.454 1053 D N -0.793 119.617 120.400 0.016 0.000 2.349 1053 D HA -0.045 4.595 4.640 -0.000 0.000 0.224 1053 D C 0.950 177.254 176.300 0.006 0.000 1.029 1053 D CA 0.470 54.478 54.000 0.012 0.000 0.879 1053 D CB -0.316 40.490 40.800 0.010 0.000 0.906 1053 D HN 0.370 nan 8.370 nan 0.000 0.528 1054 R N -0.576 119.925 120.500 0.001 0.000 2.549 1054 R HA 0.463 4.803 4.340 -0.000 0.000 0.344 1054 R C -0.088 176.197 176.300 -0.025 0.000 0.979 1054 R CA -0.152 55.941 56.100 -0.011 0.000 1.140 1054 R CB 1.396 31.688 30.300 -0.012 0.000 1.377 1054 R HN 0.093 nan 8.270 nan 0.000 0.541 1055 A N 0.789 123.599 122.820 -0.017 0.000 2.324 1055 A HA 0.590 4.910 4.320 -0.000 0.000 0.330 1055 A C -1.089 176.498 177.584 0.005 0.000 1.165 1055 A CA -0.338 51.680 52.037 -0.032 0.000 0.813 1055 A CB 1.284 20.265 19.000 -0.031 0.000 1.197 1055 A HN 0.027 nan 8.150 nan 0.000 0.484 1056 D N -0.493 119.909 120.400 0.003 0.000 2.615 1056 D HA 0.613 5.253 4.640 -0.000 0.000 0.267 1056 D C -0.270 176.090 176.300 0.100 0.000 1.236 1056 D CA -0.011 54.025 54.000 0.061 0.000 0.839 1056 D CB 2.207 43.026 40.800 0.033 0.000 1.380 1056 D HN 0.478 nan 8.370 nan 0.000 0.433 1057 S N -0.269 115.552 115.700 0.201 0.000 2.786 1057 S HA 0.680 5.150 4.470 -0.000 0.000 0.302 1057 S C -0.882 173.798 174.600 0.132 0.000 1.080 1057 S CA -0.530 57.842 58.200 0.287 0.000 0.925 1057 S CB 0.909 64.539 63.200 0.718 0.000 1.325 1057 S HN 0.377 nan 8.310 nan 0.000 0.576 1058 R N 0.820 121.388 120.500 0.114 0.000 2.576 1058 R HA 0.313 4.653 4.340 -0.000 0.000 0.283 1058 R C 1.237 177.315 176.300 -0.370 0.000 1.493 1058 R CA -0.387 55.659 56.100 -0.091 0.000 1.170 1058 R CB 0.291 30.561 30.300 -0.050 0.000 1.189 1058 R HN 0.757 nan 8.270 nan 0.000 0.542 1059 R N 0.936 120.984 120.500 -0.754 0.000 2.193 1059 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 1059 R C 0.895 176.760 176.300 -0.724 0.000 1.110 1059 R CA 1.894 57.072 56.100 -1.536 0.000 0.988 1059 R CB -0.091 29.354 30.300 -1.426 0.000 0.871 1059 R HN 0.441 nan 8.270 nan 0.000 0.458 1060 S N 0.607 116.076 115.700 -0.385 0.000 2.547 1060 S HA -0.003 4.467 4.470 -0.000 0.000 0.235 1060 S C 1.688 176.206 174.600 -0.137 0.000 0.980 1060 S CA 0.585 58.663 58.200 -0.203 0.000 0.941 1060 S CB -0.150 62.965 63.200 -0.141 0.000 0.763 1060 S HN 0.414 nan 8.310 nan 0.000 0.532 1061 L N -1.610 119.526 121.223 -0.144 0.000 2.638 1061 L HA 0.295 4.635 4.340 -0.000 0.000 0.232 1061 L C 1.905 178.760 176.870 -0.025 0.000 1.099 1061 L CA -0.214 54.581 54.840 -0.074 0.000 0.883 1061 L CB -0.230 41.786 42.059 -0.072 0.000 1.136 1061 L HN 0.282 nan 8.230 nan 0.000 0.492 1062 W N 1.174 122.368 121.300 -0.176 0.000 2.338 1062 W HA -0.178 4.481 4.660 -0.001 0.000 0.304 1062 W C 1.981 178.437 176.519 -0.105 0.000 1.212 1062 W CA 0.557 57.802 57.345 -0.167 0.000 1.264 1062 W CB -0.781 28.781 29.460 0.169 0.000 1.142 1062 W HN 0.162 nan 8.180 nan 0.000 0.512 1063 D N -0.613 119.896 120.400 0.182 0.000 2.378 1063 D HA -0.108 4.532 4.640 -0.000 0.000 0.222 1063 D C 1.501 177.817 176.300 0.027 0.000 0.980 1063 D CA 1.044 55.109 54.000 0.108 0.000 0.907 1063 D CB -0.081 40.761 40.800 0.071 0.000 0.899 1063 D HN 0.197 nan 8.370 nan 0.000 0.527 1064 Q N -0.854 118.921 119.800 -0.041 0.000 2.219 1064 Q HA 0.280 4.620 4.340 -0.000 0.000 0.209 1064 Q C 0.909 176.815 176.000 -0.156 0.000 0.854 1064 Q CA 0.208 55.964 55.803 -0.079 0.000 0.960 1064 Q CB 0.641 29.330 28.738 -0.082 0.000 1.116 1064 Q HN 0.196 nan 8.270 nan 0.000 0.500 1065 G N 0.943 109.586 108.800 -0.263 0.000 2.147 1065 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 1065 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 1065 G C -0.222 174.207 174.900 -0.784 0.000 1.005 1065 G CA 0.083 44.948 45.100 -0.392 0.000 0.713 1065 G HN 0.259 nan 8.290 nan 0.000 0.515 1066 N N -0.272 117.868 118.700 -0.934 0.000 2.372 1066 N HA 0.647 5.387 4.740 -0.000 0.000 0.285 1066 N C -0.841 174.128 175.510 -0.901 0.000 1.008 1066 N CA -0.312 52.312 53.050 -0.709 0.000 0.880 1066 N CB 0.958 39.278 38.487 -0.279 0.000 1.239 1066 N HN 0.096 nan 8.380 nan 0.000 0.484 1067 F N 2.333 122.173 119.950 -0.184 0.000 2.622 1067 F HA 0.334 4.861 4.527 -0.000 0.000 0.338 1067 F C -2.052 173.717 175.800 -0.052 0.000 1.334 1067 F CA -1.643 56.055 58.000 -0.504 0.000 1.179 1067 F CB 1.389 39.442 39.000 -1.578 0.000 1.471 1067 F HN 0.159 nan 8.300 nan 0.000 0.576 1068 P HA 0.123 nan 4.420 nan 0.000 0.277 1068 P C -0.578 176.772 177.300 0.084 0.000 1.240 1068 P CA -0.334 62.889 63.100 0.204 0.000 0.798 1068 P CB 2.255 34.001 31.700 0.076 0.000 0.979 1069 L N 3.266 124.270 121.223 -0.365 0.000 2.277 1069 L HA 0.368 4.708 4.340 -0.000 0.000 0.284 1069 L C -0.606 176.016 176.870 -0.413 0.000 1.028 1069 L CA -0.955 53.468 54.840 -0.695 0.000 0.835 1069 L CB 0.221 41.260 42.059 -1.699 0.000 1.215 1069 L HN 0.244 nan 8.230 nan 0.000 0.425 1070 I N 5.957 126.396 120.570 -0.218 0.000 2.315 1070 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 1070 I C -0.086 175.935 176.117 -0.160 0.000 1.006 1070 I CA 0.114 61.319 61.300 -0.158 0.000 1.265 1070 I CB 1.456 39.410 38.000 -0.077 0.000 1.387 1070 I HN 0.372 nan 8.210 nan 0.000 0.475 1071 I N 7.226 127.694 120.570 -0.169 0.000 2.389 1071 I HA 0.377 4.547 4.170 -0.000 0.000 0.288 1071 I C -0.082 175.984 176.117 -0.085 0.000 0.999 1071 I CA -0.752 60.465 61.300 -0.139 0.000 1.129 1071 I CB 1.037 38.924 38.000 -0.188 0.000 1.288 1071 I HN 0.558 nan 8.210 nan 0.000 0.444 1072 K N 4.678 125.044 120.400 -0.056 0.000 2.168 1072 K HA 0.392 4.712 4.320 -0.000 0.000 0.239 1072 K C 0.330 176.916 176.600 -0.022 0.000 0.999 1072 K CA -0.775 55.491 56.287 -0.035 0.000 0.900 1072 K CB 0.989 33.473 32.500 -0.026 0.000 1.111 1072 K HN 0.665 nan 8.250 nan 0.000 0.452 1073 N N 0.922 119.615 118.700 -0.011 0.000 2.714 1073 N HA -0.163 4.576 4.740 -0.000 0.000 0.252 1073 N C -0.771 174.741 175.510 0.002 0.000 1.014 1073 N CA -0.257 52.793 53.050 -0.000 0.000 0.735 1073 N CB -0.359 38.129 38.487 0.001 0.000 0.924 1073 N HN 0.439 nan 8.380 nan 0.000 0.540 1074 L N 1.022 122.245 121.223 -0.000 0.000 2.628 1074 L HA -0.060 4.280 4.340 -0.000 0.000 0.292 1074 L C 0.856 177.736 176.870 0.016 0.000 1.250 1074 L CA 1.626 56.468 54.840 0.003 0.000 0.892 1074 L CB 0.116 42.180 42.059 0.008 0.000 1.138 1074 L HN 0.213 nan 8.230 nan 0.000 0.502 1075 K N 4.169 124.577 120.400 0.012 0.000 2.267 1075 K HA 0.369 4.689 4.320 -0.000 0.000 0.246 1075 K C 1.029 177.631 176.600 0.004 0.000 0.954 1075 K CA -1.059 55.236 56.287 0.013 0.000 0.824 1075 K CB 1.998 34.506 32.500 0.012 0.000 1.167 1075 K HN 0.235 nan 8.250 nan 0.000 0.431 1076 I N 1.992 122.558 120.570 -0.005 0.000 2.248 1076 I HA -0.269 3.900 4.170 -0.000 0.000 0.248 1076 I C 1.947 178.042 176.117 -0.037 0.000 1.107 1076 I CA 1.726 63.004 61.300 -0.038 0.000 1.373 1076 I CB -0.899 37.078 38.000 -0.038 0.000 1.055 1076 I HN 0.725 nan 8.210 nan 0.000 0.418 1077 E N 0.442 120.635 120.200 -0.012 0.000 2.478 1077 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 1077 E C 0.961 177.574 176.600 0.022 0.000 1.046 1077 E CA 0.539 56.937 56.400 -0.003 0.000 0.870 1077 E CB -0.539 29.162 29.700 0.002 0.000 0.818 1077 E HN 0.468 nan 8.360 nan 0.000 0.527 1078 D N 1.458 121.881 120.400 0.038 0.000 2.348 1078 D HA -0.020 4.620 4.640 -0.000 0.000 0.216 1078 D C 0.056 176.444 176.300 0.147 0.000 0.970 1078 D CA 0.361 54.423 54.000 0.103 0.000 0.889 1078 D CB -0.043 40.800 40.800 0.072 0.000 0.912 1078 D HN -0.031 nan 8.370 nan 0.000 0.524 1079 S N 1.413 117.142 115.700 0.049 0.000 2.546 1079 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 1079 S C 0.059 174.659 174.600 0.000 0.000 1.262 1079 S CA 0.256 58.470 58.200 0.022 0.000 1.083 1079 S CB 0.762 63.919 63.200 -0.072 0.000 0.859 1079 S HN 0.187 nan 8.310 nan 0.000 0.495 1080 D N 0.271 120.662 120.400 -0.015 0.000 2.769 1080 D HA 0.243 4.883 4.640 -0.000 0.000 0.309 1080 D C -1.220 174.935 176.300 -0.242 0.000 1.315 1080 D CA -0.375 53.498 54.000 -0.211 0.000 0.780 1080 D CB 1.202 41.729 40.800 -0.456 0.000 1.312 1080 D HN 0.329 nan 8.370 nan 0.000 0.437 1081 T N 1.502 115.881 114.554 -0.291 0.000 2.767 1081 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 1081 T C -0.777 173.744 174.700 -0.299 0.000 0.963 1081 T CA -0.095 61.908 62.100 -0.161 0.000 1.019 1081 T CB 0.037 68.871 68.868 -0.056 0.000 0.923 1081 T HN 0.106 nan 8.240 nan 0.000 0.468 1082 Y N 2.366 122.761 120.300 0.159 0.000 2.409 1082 Y HA 0.642 5.192 4.550 -0.000 0.000 0.339 1082 Y C -0.058 176.021 175.900 0.298 0.000 1.033 1082 Y CA -1.218 57.043 58.100 0.268 0.000 1.094 1082 Y CB 1.125 39.781 38.460 0.328 0.000 1.210 1082 Y HN 0.431 nan 8.280 nan 0.000 0.456 1083 I N 2.476 123.282 120.570 0.394 0.000 2.466 1083 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 1083 I C -0.975 175.051 176.117 -0.151 0.000 1.026 1083 I CA -0.496 60.869 61.300 0.108 0.000 1.078 1083 I CB 1.656 39.683 38.000 0.046 0.000 1.249 1083 I HN 0.599 nan 8.210 nan 0.000 0.429 1084 c N 6.579 124.811 118.600 -0.614 0.000 2.255 1084 c HA 0.489 5.059 4.570 -0.000 0.000 0.326 1084 c C -0.001 173.723 174.090 -0.609 0.000 1.258 1084 c CA -0.355 55.334 56.329 -1.067 0.000 1.676 1084 c CB -0.644 40.828 42.510 -1.730 0.000 2.314 1084 c HN 0.783 nan 8.230 nan 0.000 0.509 1085 E N 4.274 124.085 120.200 -0.647 0.000 2.109 1085 E HA 0.552 4.901 4.350 -0.000 0.000 0.278 1085 E C -0.862 175.403 176.600 -0.558 0.000 0.954 1085 E CA -0.323 55.729 56.400 -0.580 0.000 0.779 1085 E CB 1.894 31.193 29.700 -0.668 0.000 1.093 1085 E HN 0.493 nan 8.360 nan 0.000 0.401 1086 V N 3.419 123.128 119.914 -0.341 0.000 2.891 1086 V HA 0.086 4.206 4.120 -0.000 0.000 0.304 1086 V C -0.921 175.074 176.094 -0.166 0.000 1.171 1086 V CA -0.589 61.549 62.300 -0.270 0.000 0.943 1086 V CB 1.545 33.204 31.823 -0.273 0.000 1.037 1086 V HN 0.937 nan 8.190 nan 0.000 0.427 1087 E N 4.154 124.274 120.200 -0.133 0.000 2.149 1087 E HA -0.302 4.048 4.350 -0.000 0.000 0.191 1087 E C 0.328 176.888 176.600 -0.068 0.000 1.384 1087 E CA 1.058 57.410 56.400 -0.080 0.000 0.698 1087 E CB -1.593 28.077 29.700 -0.051 0.000 1.086 1087 E HN 1.065 nan 8.360 nan 0.000 0.338 1088 D N -0.691 119.667 120.400 -0.071 0.000 3.077 1088 D HA -0.213 4.427 4.640 -0.000 0.000 0.217 1088 D C -0.627 175.638 176.300 -0.059 0.000 1.162 1088 D CA 2.188 56.156 54.000 -0.053 0.000 0.943 1088 D CB -0.573 40.206 40.800 -0.035 0.000 1.122 1088 D HN 0.750 nan 8.370 nan 0.000 0.413 1089 Q N -0.396 119.354 119.800 -0.083 0.000 2.377 1089 Q HA 0.562 4.902 4.340 -0.000 0.000 0.271 1089 Q C -0.543 175.386 176.000 -0.117 0.000 1.077 1089 Q CA -0.696 55.059 55.803 -0.081 0.000 0.820 1089 Q CB 1.858 30.557 28.738 -0.065 0.000 1.347 1089 Q HN -0.019 nan 8.270 nan 0.000 0.444 1090 K N 2.074 122.415 120.400 -0.097 0.000 2.394 1090 K HA 0.343 4.662 4.320 -0.000 0.000 0.260 1090 K C -1.102 175.440 176.600 -0.096 0.000 0.967 1090 K CA -0.433 55.784 56.287 -0.117 0.000 0.855 1090 K CB 1.668 34.121 32.500 -0.079 0.000 1.101 1090 K HN 0.464 nan 8.250 nan 0.000 0.433 1091 E N 2.177 122.296 120.200 -0.136 0.000 2.134 1091 E HA 0.138 4.488 4.350 -0.000 0.000 0.278 1091 E C -1.018 175.552 176.600 -0.050 0.000 0.959 1091 E CA -0.463 55.886 56.400 -0.085 0.000 0.783 1091 E CB 1.811 31.453 29.700 -0.095 0.000 1.095 1091 E HN 0.380 nan 8.360 nan 0.000 0.399 1092 E N 2.417 122.629 120.200 0.020 0.000 2.179 1092 E HA 0.488 4.837 4.350 -0.000 0.000 0.275 1092 E C -1.661 175.018 176.600 0.132 0.000 0.945 1092 E CA -0.822 55.624 56.400 0.077 0.000 0.792 1092 E CB 1.789 31.520 29.700 0.050 0.000 1.125 1092 E HN 0.222 nan 8.360 nan 0.000 0.397 1093 V N 4.427 124.470 119.914 0.216 0.000 2.686 1093 V HA 0.246 4.366 4.120 -0.000 0.000 0.306 1093 V C -1.243 174.986 176.094 0.225 0.000 1.065 1093 V CA -0.536 61.895 62.300 0.220 0.000 0.894 1093 V CB 1.919 33.904 31.823 0.269 0.000 1.004 1093 V HN 0.772 nan 8.190 nan 0.000 0.424 1094 Q N 4.646 124.541 119.800 0.157 0.000 2.296 1094 Q HA 0.486 4.826 4.340 -0.000 0.000 0.257 1094 Q C -1.346 174.747 176.000 0.154 0.000 0.942 1094 Q CA -0.654 55.230 55.803 0.136 0.000 0.939 1094 Q CB 1.656 30.445 28.738 0.086 0.000 1.198 1094 Q HN 0.746 nan 8.270 nan 0.000 0.429 1095 L N 5.102 126.441 121.223 0.194 0.000 2.295 1095 L HA 0.421 4.761 4.340 -0.000 0.000 0.285 1095 L C -1.778 175.144 176.870 0.087 0.000 1.035 1095 L CA -0.447 54.491 54.840 0.163 0.000 0.806 1095 L CB 1.130 43.328 42.059 0.231 0.000 1.214 1095 L HN 0.535 nan 8.230 nan 0.000 0.426 1096 L N 6.599 127.852 121.223 0.049 0.000 2.349 1096 L HA 0.540 4.880 4.340 -0.000 0.000 0.278 1096 L C -0.611 176.160 176.870 -0.165 0.000 0.996 1096 L CA -0.464 54.324 54.840 -0.087 0.000 0.825 1096 L CB 1.752 43.806 42.059 -0.007 0.000 1.243 1096 L HN 0.344 nan 8.230 nan 0.000 0.412 1097 V N 4.358 124.091 119.914 -0.300 0.000 2.398 1097 V HA 0.541 4.661 4.120 -0.000 0.000 0.286 1097 V C -0.297 175.573 176.094 -0.372 0.000 1.026 1097 V CA -0.515 61.676 62.300 -0.183 0.000 0.868 1097 V CB 1.415 33.201 31.823 -0.063 0.000 0.982 1097 V HN 0.410 nan 8.190 nan 0.000 0.443 1098 F N 1.725 121.777 119.950 0.170 0.000 2.579 1098 F HA 0.879 5.406 4.527 -0.000 0.000 0.324 1098 F C 0.681 176.632 175.800 0.250 0.000 1.058 1098 F CA -0.654 57.467 58.000 0.201 0.000 0.944 1098 F CB 2.388 41.554 39.000 0.276 0.000 1.245 1098 F HN 0.588 nan 8.300 nan 0.000 0.477 1099 G N 1.654 110.604 108.800 0.250 0.000 2.701 1099 G HA2 0.650 4.610 3.960 -0.000 0.000 0.300 1099 G HA3 0.650 4.610 3.960 -0.000 0.000 0.300 1099 G C -2.213 172.524 174.900 -0.272 0.000 1.410 1099 G CA -0.552 44.575 45.100 0.045 0.000 1.014 1099 G HN 0.600 nan 8.290 nan 0.000 0.509 1100 L N 2.080 122.963 121.223 -0.567 0.000 2.356 1100 L HA 0.741 5.081 4.340 -0.000 0.000 0.277 1100 L C -0.078 176.645 176.870 -0.245 0.000 0.996 1100 L CA -0.708 53.822 54.840 -0.517 0.000 0.822 1100 L CB 2.511 44.050 42.059 -0.867 0.000 1.256 1100 L HN 0.747 nan 8.230 nan 0.000 0.413 1101 T N 0.606 115.063 114.554 -0.162 0.000 2.893 1101 T HA 0.753 5.103 4.350 -0.000 0.000 0.293 1101 T C -0.301 174.330 174.700 -0.114 0.000 1.027 1101 T CA -0.736 61.302 62.100 -0.104 0.000 0.988 1101 T CB 1.946 70.773 68.868 -0.068 0.000 1.043 1101 T HN 0.595 nan 8.240 nan 0.000 0.461 1102 A N 1.978 124.729 122.820 -0.115 0.000 2.371 1102 A HA 0.391 4.711 4.320 -0.000 0.000 0.257 1102 A C 1.195 178.717 177.584 -0.104 0.000 1.089 1102 A CA -0.747 51.206 52.037 -0.141 0.000 0.794 1102 A CB -0.136 18.761 19.000 -0.172 0.000 1.029 1102 A HN 0.986 nan 8.150 nan 0.000 0.488 1103 N N -0.034 118.605 118.700 -0.102 0.000 2.550 1103 N HA -0.024 4.716 4.740 -0.000 0.000 0.186 1103 N C -0.300 175.171 175.510 -0.065 0.000 1.110 1103 N CA 0.512 53.517 53.050 -0.075 0.000 0.912 1103 N CB 0.137 38.584 38.487 -0.067 0.000 0.968 1103 N HN 0.461 nan 8.380 nan 0.000 0.448 1104 S N -0.248 115.408 115.700 -0.073 0.000 2.547 1104 S HA 0.186 4.655 4.470 -0.000 0.000 0.281 1104 S C -0.513 174.050 174.600 -0.061 0.000 1.118 1104 S CA -0.758 57.405 58.200 -0.061 0.000 0.947 1104 S CB 1.952 65.118 63.200 -0.056 0.000 1.053 1104 S HN 0.046 nan 8.310 nan 0.000 0.482 1105 D N 1.564 121.931 120.400 -0.056 0.000 2.340 1105 D HA 0.067 4.707 4.640 -0.000 0.000 0.220 1105 D C 0.672 176.925 176.300 -0.079 0.000 1.039 1105 D CA 0.535 54.504 54.000 -0.052 0.000 0.866 1105 D CB 0.372 41.145 40.800 -0.046 0.000 0.913 1105 D HN 0.335 nan 8.370 nan 0.000 0.523 1106 T N -0.562 113.938 114.554 -0.090 0.000 2.918 1106 T HA 0.155 4.505 4.350 -0.000 0.000 0.283 1106 T C -0.152 174.509 174.700 -0.066 0.000 1.001 1106 T CA -0.459 61.550 62.100 -0.153 0.000 1.041 1106 T CB 0.632 69.434 68.868 -0.111 0.000 1.028 1106 T HN 0.061 nan 8.240 nan 0.000 0.511 1107 H N 2.121 121.188 119.070 -0.005 0.000 2.803 1107 H HA 0.338 4.894 4.556 -0.000 0.000 0.330 1107 H C -0.005 175.324 175.328 0.002 0.000 1.057 1107 H CA -0.574 55.477 56.048 0.004 0.000 1.458 1107 H CB 0.440 30.211 29.762 0.016 0.000 1.470 1107 H HN 0.288 nan 8.280 nan 0.000 0.560 1108 L N 2.991 124.293 121.223 0.130 0.000 2.375 1108 L HA 0.230 4.569 4.340 -0.000 0.000 0.268 1108 L C -0.445 176.471 176.870 0.078 0.000 1.058 1108 L CA -1.018 53.864 54.840 0.070 0.000 0.803 1108 L CB 0.857 42.938 42.059 0.037 0.000 1.212 1108 L HN 0.314 nan 8.230 nan 0.000 0.451 1109 L N 0.945 122.201 121.223 0.054 0.000 2.379 1109 L HA 0.310 4.650 4.340 -0.000 0.000 0.269 1109 L C 0.123 177.038 176.870 0.074 0.000 1.084 1109 L CA -0.100 54.774 54.840 0.056 0.000 0.802 1109 L CB 1.018 43.081 42.059 0.007 0.000 1.175 1109 L HN 0.513 nan 8.230 nan 0.000 0.448 1110 Q N 0.985 120.854 119.800 0.115 0.000 2.349 1110 Q HA 0.318 4.657 4.340 -0.000 0.000 0.287 1110 Q C 1.009 177.061 176.000 0.088 0.000 1.044 1110 Q CA 0.995 56.877 55.803 0.132 0.000 0.918 1110 Q CB 0.205 29.076 28.738 0.223 0.000 1.242 1110 Q HN 0.912 nan 8.270 nan 0.000 0.405 1111 G N 1.425 110.272 108.800 0.079 0.000 2.253 1111 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.251 1111 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.251 1111 G C 0.169 175.091 174.900 0.037 0.000 0.998 1111 G CA 0.138 45.270 45.100 0.054 0.000 0.621 1111 G HN 0.567 nan 8.290 nan 0.000 0.524 1112 Q N 0.581 120.402 119.800 0.034 0.000 2.318 1112 Q HA 0.602 4.942 4.340 -0.000 0.000 0.222 1112 Q C 0.117 176.129 176.000 0.020 0.000 1.003 1112 Q CA 0.124 55.938 55.803 0.019 0.000 0.936 1112 Q CB 0.899 29.644 28.738 0.012 0.000 1.204 1112 Q HN 0.346 nan 8.270 nan 0.000 0.524 1113 S N 0.647 116.349 115.700 0.004 0.000 2.617 1113 S HA 0.528 4.997 4.470 -0.000 0.000 0.283 1113 S C -0.949 173.630 174.600 -0.035 0.000 1.189 1113 S CA -0.710 57.487 58.200 -0.004 0.000 1.036 1113 S CB 0.884 64.079 63.200 -0.008 0.000 1.014 1113 S HN 0.385 nan 8.310 nan 0.000 0.522 1114 L N 2.122 123.311 121.223 -0.057 0.000 2.362 1114 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 1114 L C -0.833 175.961 176.870 -0.126 0.000 0.998 1114 L CA 0.156 54.914 54.840 -0.136 0.000 0.820 1114 L CB 1.821 43.720 42.059 -0.266 0.000 1.270 1114 L HN 0.643 nan 8.230 nan 0.000 0.415 1115 T N 6.141 120.620 114.554 -0.126 0.000 2.809 1115 T HA 0.594 4.944 4.350 -0.000 0.000 0.284 1115 T C -0.550 174.076 174.700 -0.123 0.000 0.992 1115 T CA -0.297 61.743 62.100 -0.099 0.000 0.957 1115 T CB 0.927 69.755 68.868 -0.065 0.000 0.942 1115 T HN 0.432 nan 8.240 nan 0.000 0.439 1116 L N 3.015 124.167 121.223 -0.118 0.000 2.307 1116 L HA 0.590 4.929 4.340 -0.000 0.000 0.284 1116 L C 0.235 177.049 176.870 -0.092 0.000 1.023 1116 L CA -0.698 54.068 54.840 -0.124 0.000 0.810 1116 L CB 1.586 43.566 42.059 -0.131 0.000 1.231 1116 L HN 0.555 nan 8.230 nan 0.000 0.423 1117 T N 3.758 118.255 114.554 -0.096 0.000 2.792 1117 T HA 0.447 4.797 4.350 -0.000 0.000 0.280 1117 T C -0.621 174.024 174.700 -0.092 0.000 0.990 1117 T CA -0.404 61.651 62.100 -0.074 0.000 0.960 1117 T CB 1.737 70.571 68.868 -0.056 0.000 0.939 1117 T HN 0.250 nan 8.240 nan 0.000 0.439 1118 L N 3.415 124.597 121.223 -0.069 0.000 2.264 1118 L HA 0.438 4.778 4.340 -0.000 0.000 0.289 1118 L C 0.136 177.012 176.870 0.011 0.000 1.044 1118 L CA -0.079 54.723 54.840 -0.063 0.000 0.807 1118 L CB 0.569 42.601 42.059 -0.046 0.000 1.192 1118 L HN 0.556 nan 8.230 nan 0.000 0.425 1119 E N 3.374 123.586 120.200 0.019 0.000 2.194 1119 E HA 0.369 4.719 4.350 -0.000 0.000 0.284 1119 E C -0.785 175.889 176.600 0.123 0.000 1.035 1119 E CA -0.156 56.273 56.400 0.049 0.000 0.836 1119 E CB 0.847 30.560 29.700 0.021 0.000 1.070 1119 E HN 0.763 nan 8.360 nan 0.000 0.401 1120 S N 3.279 119.034 115.700 0.091 0.000 2.570 1120 S HA 0.654 5.124 4.470 -0.000 0.000 0.286 1120 S C -2.651 171.908 174.600 -0.069 0.000 1.099 1120 S CA -1.650 56.577 58.200 0.045 0.000 0.913 1120 S CB 2.001 65.368 63.200 0.279 0.000 1.085 1120 S HN 0.218 nan 8.310 nan 0.000 0.480 1121 P HA 0.410 nan 4.420 nan 0.000 0.274 1121 P C -2.847 174.423 177.300 -0.051 0.000 1.237 1121 P CA -1.539 61.487 63.100 -0.122 0.000 0.793 1121 P CB -1.049 30.544 31.700 -0.178 0.000 0.977 1122 P HA 0.063 nan 4.420 nan 0.000 0.262 1122 P C 1.090 178.388 177.300 -0.003 0.000 1.182 1122 P CA 1.387 64.480 63.100 -0.010 0.000 0.761 1122 P CB -0.215 31.478 31.700 -0.013 0.000 0.795 1123 G N 1.860 110.668 108.800 0.013 0.000 2.258 1123 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.233 1123 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.233 1123 G C 0.302 175.226 174.900 0.041 0.000 1.006 1123 G CA 0.194 45.307 45.100 0.021 0.000 0.620 1123 G HN 0.834 nan 8.290 nan 0.000 0.511 1124 S N -0.425 115.309 115.700 0.057 0.000 2.562 1124 S HA 0.684 5.154 4.470 -0.000 0.000 0.275 1124 S C 0.053 174.729 174.600 0.126 0.000 1.281 1124 S CA 0.609 58.876 58.200 0.111 0.000 1.045 1124 S CB 2.010 65.308 63.200 0.164 0.000 0.962 1124 S HN 1.119 nan 8.310 nan 0.000 0.503 1125 S N 3.975 119.747 115.700 0.120 0.000 2.399 1125 S HA 0.480 4.949 4.470 -0.000 0.000 0.215 1125 S C -2.531 172.120 174.600 0.084 0.000 1.456 1125 S CA -1.284 56.972 58.200 0.093 0.000 1.199 1125 S CB 0.000 63.236 63.200 0.059 0.000 1.063 1125 S HN 0.767 nan 8.310 nan 0.000 0.476 1126 P HA 0.454 nan 4.420 nan 0.000 0.279 1126 P C -0.738 176.546 177.300 -0.026 0.000 1.252 1126 P CA -0.527 62.571 63.100 -0.003 0.000 0.811 1126 P CB 1.253 32.875 31.700 -0.131 0.000 1.035 1127 S N 0.077 115.749 115.700 -0.046 0.000 2.509 1127 S HA 0.519 4.989 4.470 -0.000 0.000 0.297 1127 S C -0.315 174.253 174.600 -0.053 0.000 1.118 1127 S CA -0.553 57.627 58.200 -0.033 0.000 1.074 1127 S CB 0.884 64.074 63.200 -0.016 0.000 1.038 1127 S HN 0.219 nan 8.310 nan 0.000 0.498 1128 V N 3.188 123.082 119.914 -0.034 0.000 2.604 1128 V HA 0.561 4.681 4.120 -0.000 0.000 0.305 1128 V C -0.408 175.689 176.094 0.004 0.000 1.043 1128 V CA -0.715 61.568 62.300 -0.027 0.000 0.888 1128 V CB 1.755 33.554 31.823 -0.040 0.000 0.995 1128 V HN 0.839 nan 8.190 nan 0.000 0.429 1129 Q N 2.306 122.118 119.800 0.021 0.000 2.304 1129 Q HA 0.642 4.981 4.340 -0.000 0.000 0.270 1129 Q C -1.650 174.391 176.000 0.068 0.000 1.035 1129 Q CA -0.274 55.552 55.803 0.038 0.000 0.781 1129 Q CB 2.200 30.953 28.738 0.025 0.000 1.261 1129 Q HN 0.863 nan 8.270 nan 0.000 0.444 1130 c N 3.221 121.880 118.600 0.099 0.000 2.634 1130 c HA 0.761 5.330 4.570 -0.000 0.000 0.313 1130 c C -1.187 172.972 174.090 0.115 0.000 1.198 1130 c CA -0.447 55.978 56.329 0.159 0.000 1.605 1130 c CB 1.711 44.382 42.510 0.267 0.000 2.196 1130 c HN 1.012 nan 8.230 nan 0.000 0.486 1131 R N 2.653 123.181 120.500 0.046 0.000 2.532 1131 R HA 0.568 4.908 4.340 -0.000 0.000 0.297 1131 R C -0.173 175.857 176.300 -0.451 0.000 0.984 1131 R CA -0.020 55.986 56.100 -0.156 0.000 0.884 1131 R CB 1.754 31.991 30.300 -0.105 0.000 1.182 1131 R HN 0.930 nan 8.270 nan 0.000 0.442 1132 S N 3.849 118.976 115.700 -0.956 0.000 2.624 1132 S HA 0.309 4.779 4.470 -0.000 0.000 0.263 1132 S C -1.721 172.465 174.600 -0.689 0.000 1.287 1132 S CA -1.072 56.205 58.200 -1.538 0.000 0.990 1132 S CB 1.272 63.356 63.200 -1.861 0.000 0.950 1132 S HN 0.522 nan 8.310 nan 0.000 0.561 1133 P HA -0.165 nan 4.420 nan 0.000 0.216 1133 P C 1.383 178.567 177.300 -0.193 0.000 1.150 1133 P CA 1.500 64.453 63.100 -0.245 0.000 0.843 1133 P CB -0.123 31.490 31.700 -0.144 0.000 0.787 1134 R N -1.382 118.990 120.500 -0.213 0.000 2.276 1134 R HA 0.180 4.520 4.340 -0.000 0.000 0.203 1134 R C 1.312 177.528 176.300 -0.141 0.000 1.017 1134 R CA 1.218 57.233 56.100 -0.142 0.000 1.010 1134 R CB -0.792 29.443 30.300 -0.109 0.000 0.900 1134 R HN 0.184 nan 8.270 nan 0.000 0.469 1135 G N 1.204 109.888 108.800 -0.193 0.000 2.184 1135 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.206 1135 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.206 1135 G C -0.232 174.574 174.900 -0.156 0.000 0.995 1135 G CA -0.082 44.926 45.100 -0.153 0.000 0.651 1135 G HN 0.347 nan 8.290 nan 0.000 0.511 1136 K N 1.436 121.712 120.400 -0.207 0.000 2.419 1136 K HA 0.363 4.682 4.320 -0.000 0.000 0.282 1136 K C 0.029 176.535 176.600 -0.157 0.000 1.056 1136 K CA 0.135 56.324 56.287 -0.162 0.000 1.035 1136 K CB -0.343 32.060 32.500 -0.162 0.000 0.921 1136 K HN 0.387 nan 8.250 nan 0.000 0.472 1137 N N 4.037 122.700 118.700 -0.062 0.000 2.400 1137 N HA 0.467 5.207 4.740 -0.000 0.000 0.288 1137 N C -0.956 174.575 175.510 0.035 0.000 1.024 1137 N CA -0.725 52.314 53.050 -0.019 0.000 0.894 1137 N CB 0.920 39.397 38.487 -0.018 0.000 1.173 1137 N HN 0.557 nan 8.380 nan 0.000 0.487 1138 I N -1.420 119.197 120.570 0.077 0.000 2.608 1138 I HA 0.624 4.793 4.170 -0.000 0.000 0.295 1138 I C -1.008 175.149 176.117 0.066 0.000 1.049 1138 I CA -0.987 60.365 61.300 0.087 0.000 1.063 1138 I CB 2.034 40.116 38.000 0.137 0.000 1.248 1138 I HN 0.213 nan 8.210 nan 0.000 0.424 1139 Q N 2.805 122.631 119.800 0.044 0.000 2.433 1139 Q HA 0.950 5.290 4.340 -0.000 0.000 0.279 1139 Q C -0.250 175.763 176.000 0.023 0.000 1.105 1139 Q CA -0.569 55.252 55.803 0.030 0.000 0.815 1139 Q CB 2.496 31.246 28.738 0.020 0.000 1.403 1139 Q HN 1.090 nan 8.270 nan 0.000 0.435 1140 G N -1.230 107.578 108.800 0.013 0.000 2.341 1140 G HA2 0.480 4.440 3.960 -0.000 0.000 0.299 1140 G HA3 0.480 4.440 3.960 -0.000 0.000 0.299 1140 G C -0.530 174.370 174.900 0.001 0.000 1.274 1140 G CA -0.155 44.949 45.100 0.008 0.000 0.853 1140 G HN 0.672 nan 8.290 nan 0.000 0.493 1141 G N -0.442 108.359 108.800 0.002 0.000 2.992 1141 G HA2 0.388 4.348 3.960 -0.000 0.000 0.195 1141 G HA3 0.388 4.348 3.960 -0.000 0.000 0.195 1141 G C 1.340 176.240 174.900 -0.001 0.000 2.032 1141 G CA 1.142 46.243 45.100 0.003 0.000 0.831 1141 G HN 0.772 nan 8.290 nan 0.000 0.647 1142 K N -0.416 119.988 120.400 0.007 0.000 2.062 1142 K HA 0.044 4.364 4.320 -0.000 0.000 0.205 1142 K C 0.892 177.485 176.600 -0.013 0.000 1.051 1142 K CA 1.323 57.613 56.287 0.006 0.000 0.941 1142 K CB -0.445 32.063 32.500 0.013 0.000 0.719 1142 K HN 0.362 nan 8.250 nan 0.000 0.440 1143 T N -0.253 114.294 114.554 -0.012 0.000 2.861 1143 T HA 0.611 4.961 4.350 -0.000 0.000 0.287 1143 T C -1.573 173.117 174.700 -0.016 0.000 1.003 1143 T CA -0.952 61.136 62.100 -0.021 0.000 0.977 1143 T CB 0.633 69.489 68.868 -0.020 0.000 0.996 1143 T HN -0.024 nan 8.240 nan 0.000 0.448 1144 L N 3.449 124.659 121.223 -0.022 0.000 2.385 1144 L HA 0.736 5.076 4.340 -0.000 0.000 0.273 1144 L C -0.106 176.756 176.870 -0.013 0.000 0.990 1144 L CA -0.554 54.284 54.840 -0.004 0.000 0.821 1144 L CB 2.115 44.182 42.059 0.012 0.000 1.279 1144 L HN 0.632 nan 8.230 nan 0.000 0.412 1145 S N 1.902 117.605 115.700 0.005 0.000 2.557 1145 S HA 0.818 5.288 4.470 -0.000 0.000 0.291 1145 S C -0.959 173.659 174.600 0.030 0.000 1.116 1145 S CA -0.511 57.688 58.200 -0.002 0.000 0.992 1145 S CB 1.372 64.569 63.200 -0.006 0.000 1.028 1145 S HN 0.288 nan 8.310 nan 0.000 0.484 1146 V N 4.717 124.652 119.914 0.034 0.000 2.394 1146 V HA 0.377 4.497 4.120 -0.000 0.000 0.282 1146 V C 1.382 177.505 176.094 0.050 0.000 1.031 1146 V CA -0.329 62.019 62.300 0.080 0.000 0.881 1146 V CB 1.244 33.167 31.823 0.166 0.000 0.982 1146 V HN 0.994 nan 8.190 nan 0.000 0.451 1147 S N 3.285 119.014 115.700 0.049 0.000 2.355 1147 S HA -0.027 4.442 4.470 -0.000 0.000 0.222 1147 S C 0.732 175.355 174.600 0.038 0.000 1.031 1147 S CA 1.321 59.542 58.200 0.034 0.000 0.993 1147 S CB 0.027 63.245 63.200 0.031 0.000 0.859 1147 S HN 0.813 nan 8.310 nan 0.000 0.453 1148 Q N 0.918 120.751 119.800 0.055 0.000 2.269 1148 Q HA 0.332 4.672 4.340 -0.000 0.000 0.263 1148 Q C -1.840 174.211 176.000 0.086 0.000 0.983 1148 Q CA -0.660 55.178 55.803 0.059 0.000 0.777 1148 Q CB 1.693 30.461 28.738 0.051 0.000 1.273 1148 Q HN 0.170 nan 8.270 nan 0.000 0.440 1149 L N 2.613 123.892 121.223 0.095 0.000 2.426 1149 L HA 0.188 4.528 4.340 -0.000 0.000 0.271 1149 L C 0.572 177.511 176.870 0.115 0.000 1.169 1149 L CA 0.630 55.550 54.840 0.132 0.000 0.836 1149 L CB 0.428 42.565 42.059 0.129 0.000 1.112 1149 L HN 0.510 nan 8.230 nan 0.000 0.465 1150 E N 1.768 122.039 120.200 0.118 0.000 2.250 1150 E HA 0.099 4.448 4.350 -0.000 0.000 0.269 1150 E C 0.847 177.503 176.600 0.093 0.000 1.018 1150 E CA -0.750 55.703 56.400 0.089 0.000 0.873 1150 E CB 1.397 31.132 29.700 0.058 0.000 1.134 1150 E HN 0.435 nan 8.360 nan 0.000 0.403 1151 L N 2.221 123.489 121.223 0.074 0.000 2.081 1151 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 1151 L C 1.659 178.558 176.870 0.050 0.000 1.080 1151 L CA 2.069 56.945 54.840 0.061 0.000 0.754 1151 L CB -0.317 41.757 42.059 0.024 0.000 0.893 1151 L HN 0.402 nan 8.230 nan 0.000 0.433 1152 Q N -0.392 119.427 119.800 0.031 0.000 2.500 1152 Q HA -0.104 4.236 4.340 -0.000 0.000 0.213 1152 Q C 1.379 177.384 176.000 0.009 0.000 0.974 1152 Q CA 1.014 56.822 55.803 0.009 0.000 0.918 1152 Q CB -0.288 28.442 28.738 -0.014 0.000 0.980 1152 Q HN 0.549 nan 8.270 nan 0.000 0.505 1153 D N -0.717 119.724 120.400 0.068 0.000 2.349 1153 D HA 0.004 4.644 4.640 -0.000 0.000 0.224 1153 D C -0.111 176.352 176.300 0.272 0.000 1.029 1153 D CA 0.238 54.319 54.000 0.135 0.000 0.879 1153 D CB 0.143 41.139 40.800 0.327 0.000 0.906 1153 D HN 0.009 nan 8.370 nan 0.000 0.528 1154 S N -0.169 115.632 115.700 0.169 0.000 2.505 1154 S HA 0.489 4.959 4.470 -0.000 0.000 0.276 1154 S C 0.496 175.180 174.600 0.139 0.000 1.274 1154 S CA 0.317 58.616 58.200 0.165 0.000 1.053 1154 S CB 0.526 63.780 63.200 0.089 0.000 0.919 1154 S HN 0.439 nan 8.310 nan 0.000 0.490 1155 G N 3.336 112.249 108.800 0.188 0.000 2.260 1155 G HA2 0.004 3.964 3.960 -0.000 0.000 0.250 1155 G HA3 0.004 3.964 3.960 -0.000 0.000 0.250 1155 G C -0.852 174.193 174.900 0.243 0.000 1.340 1155 G CA -0.523 44.666 45.100 0.149 0.000 1.056 1155 G HN 0.708 nan 8.290 nan 0.000 0.471 1156 T N 1.248 115.905 114.554 0.172 0.000 2.749 1156 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 1156 T C -0.727 174.120 174.700 0.244 0.000 0.936 1156 T CA 0.311 62.535 62.100 0.206 0.000 1.060 1156 T CB 0.476 69.414 68.868 0.116 0.000 0.904 1156 T HN 0.421 nan 8.240 nan 0.000 0.500 1157 W N 2.178 123.497 121.300 0.031 0.000 2.376 1157 W HA 0.443 5.103 4.660 -0.000 0.000 0.322 1157 W C 0.339 176.884 176.519 0.043 0.000 1.160 1157 W CA -0.673 56.691 57.345 0.031 0.000 1.218 1157 W CB 0.760 30.237 29.460 0.029 0.000 1.205 1157 W HN 0.384 nan 8.180 nan 0.000 0.559 1158 T N 3.067 117.748 114.554 0.212 0.000 2.809 1158 T HA 0.408 4.758 4.350 -0.000 0.000 0.296 1158 T C -0.856 173.946 174.700 0.169 0.000 1.015 1158 T CA -0.485 61.709 62.100 0.156 0.000 0.954 1158 T CB 0.100 69.011 68.868 0.073 0.000 0.950 1158 T HN 0.292 nan 8.240 nan 0.000 0.450 1159 c N 3.550 122.273 118.600 0.206 0.000 2.322 1159 c HA 0.709 5.279 4.570 -0.000 0.000 0.324 1159 c C 0.700 174.909 174.090 0.198 0.000 1.284 1159 c CA -0.918 55.524 56.329 0.189 0.000 1.606 1159 c CB 0.504 43.117 42.510 0.172 0.000 2.251 1159 c HN 0.836 nan 8.230 nan 0.000 0.502 1160 T N 2.507 117.134 114.554 0.122 0.000 2.779 1160 T HA 0.488 4.838 4.350 -0.000 0.000 0.280 1160 T C -0.208 174.523 174.700 0.052 0.000 0.987 1160 T CA -0.364 61.789 62.100 0.088 0.000 0.966 1160 T CB 1.226 70.119 68.868 0.041 0.000 0.933 1160 T HN 0.437 nan 8.240 nan 0.000 0.442 1161 V N 4.642 124.578 119.914 0.038 0.000 2.394 1161 V HA 0.422 4.541 4.120 -0.000 0.000 0.282 1161 V C -0.073 175.940 176.094 -0.134 0.000 1.031 1161 V CA -0.815 61.425 62.300 -0.100 0.000 0.881 1161 V CB 1.448 33.129 31.823 -0.238 0.000 0.982 1161 V HN 0.750 nan 8.190 nan 0.000 0.451 1162 L N 4.791 125.941 121.223 -0.121 0.000 2.296 1162 L HA 0.718 5.058 4.340 -0.000 0.000 0.286 1162 L C -0.533 176.291 176.870 -0.078 0.000 1.023 1162 L CA -0.232 54.565 54.840 -0.073 0.000 0.812 1162 L CB 1.608 43.647 42.059 -0.033 0.000 1.223 1162 L HN 0.806 nan 8.230 nan 0.000 0.421 1163 Q N 3.740 123.524 119.800 -0.027 0.000 2.313 1163 Q HA 0.274 4.613 4.340 -0.000 0.000 0.260 1163 Q C -0.632 175.410 176.000 0.070 0.000 0.972 1163 Q CA -0.398 55.430 55.803 0.041 0.000 0.886 1163 Q CB 1.340 30.146 28.738 0.113 0.000 1.373 1163 Q HN 0.643 nan 8.270 nan 0.000 0.416 1164 N N 4.097 122.837 118.700 0.067 0.000 2.727 1164 N HA -0.288 4.452 4.740 -0.000 0.000 0.249 1164 N C -0.457 175.081 175.510 0.048 0.000 1.048 1164 N CA 0.981 54.068 53.050 0.062 0.000 0.714 1164 N CB -0.306 38.228 38.487 0.079 0.000 0.959 1164 N HN 0.792 nan 8.380 nan 0.000 0.544 1165 Q N -4.421 115.399 119.800 0.035 0.000 3.374 1165 Q HA -0.242 4.098 4.340 -0.000 0.000 0.194 1165 Q C -0.104 175.911 176.000 0.024 0.000 2.268 1165 Q CA 1.973 57.792 55.803 0.026 0.000 0.784 1165 Q CB -1.023 27.731 28.738 0.027 0.000 0.709 1165 Q HN 0.588 nan 8.270 nan 0.000 0.836 1166 K N 2.567 122.988 120.400 0.034 0.000 2.168 1166 K HA 0.389 4.709 4.320 -0.000 0.000 0.258 1166 K C 0.375 176.986 176.600 0.018 0.000 1.010 1166 K CA 0.099 56.405 56.287 0.032 0.000 0.929 1166 K CB 0.599 33.129 32.500 0.050 0.000 0.998 1166 K HN 0.267 nan 8.250 nan 0.000 0.479 1167 K N -1.041 119.364 120.400 0.008 0.000 2.477 1167 K HA 0.734 5.054 4.320 -0.000 0.000 0.255 1167 K C -1.457 175.134 176.600 -0.015 0.000 0.952 1167 K CA -1.088 55.193 56.287 -0.010 0.000 0.826 1167 K CB 2.140 34.634 32.500 -0.011 0.000 1.331 1167 K HN 0.267 nan 8.250 nan 0.000 0.437 1168 V N 0.404 120.299 119.914 -0.031 0.000 2.876 1168 V HA 0.427 4.547 4.120 -0.000 0.000 0.312 1168 V C -1.570 174.461 176.094 -0.104 0.000 1.085 1168 V CA -0.501 61.751 62.300 -0.079 0.000 0.945 1168 V CB 1.933 33.714 31.823 -0.069 0.000 1.017 1168 V HN 0.988 nan 8.190 nan 0.000 0.428 1169 E N 4.249 124.327 120.200 -0.203 0.000 2.187 1169 E HA 0.542 4.891 4.350 -0.000 0.000 0.268 1169 E C -1.959 174.486 176.600 -0.259 0.000 0.896 1169 E CA -0.561 55.770 56.400 -0.115 0.000 0.766 1169 E CB 1.589 31.259 29.700 -0.049 0.000 1.142 1169 E HN 0.575 nan 8.360 nan 0.000 0.408 1170 F N 2.862 122.831 119.950 0.031 0.000 2.482 1170 F HA 0.426 4.953 4.527 -0.000 0.000 0.331 1170 F C 0.252 176.087 175.800 0.058 0.000 1.115 1170 F CA -0.854 57.172 58.000 0.043 0.000 0.955 1170 F CB 1.730 40.755 39.000 0.042 0.000 1.136 1170 F HN 0.155 nan 8.300 nan 0.000 0.452 1171 K N 4.780 125.308 120.400 0.213 0.000 2.235 1171 K HA 0.656 4.975 4.320 -0.000 0.000 0.266 1171 K C -1.022 175.684 176.600 0.176 0.000 0.980 1171 K CA -0.452 55.940 56.287 0.175 0.000 0.849 1171 K CB 1.831 34.398 32.500 0.113 0.000 1.098 1171 K HN 0.557 nan 8.250 nan 0.000 0.445 1172 I N 2.630 123.310 120.570 0.183 0.000 2.447 1172 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 1172 I C -0.731 175.462 176.117 0.128 0.000 1.023 1172 I CA -0.954 60.417 61.300 0.120 0.000 1.083 1172 I CB 1.906 39.934 38.000 0.046 0.000 1.245 1172 I HN 0.396 nan 8.210 nan 0.000 0.434 1173 D N 7.175 127.631 120.400 0.093 0.000 2.295 1173 D HA 0.400 5.040 4.640 -0.000 0.000 0.248 1173 D C -0.316 176.021 176.300 0.061 0.000 1.154 1173 D CA 0.069 54.133 54.000 0.106 0.000 0.857 1173 D CB 1.698 42.551 40.800 0.089 0.000 1.117 1173 D HN 0.136 nan 8.370 nan 0.000 0.468 1174 I N 2.550 123.176 120.570 0.093 0.000 2.436 1174 I HA 0.222 4.391 4.170 -0.000 0.000 0.289 1174 I C -0.146 176.032 176.117 0.103 0.000 1.010 1174 I CA -0.846 60.471 61.300 0.028 0.000 1.098 1174 I CB 1.761 39.683 38.000 -0.130 0.000 1.266 1174 I HN -0.016 nan 8.210 nan 0.000 0.434 1175 V N 7.056 127.025 119.914 0.092 0.000 2.370 1175 V HA 0.404 4.524 4.120 -0.000 0.000 0.279 1175 V C 0.086 176.226 176.094 0.078 0.000 1.029 1175 V CA -0.654 61.686 62.300 0.066 0.000 0.870 1175 V CB 1.920 33.742 31.823 -0.003 0.000 0.984 1175 V HN 0.423 nan 8.190 nan 0.000 0.451 1176 V N 6.542 126.499 119.914 0.073 0.000 2.384 1176 V HA 0.427 4.546 4.120 -0.000 0.000 0.287 1176 V C 0.027 176.160 176.094 0.064 0.000 1.020 1176 V CA -0.582 61.770 62.300 0.086 0.000 0.850 1176 V CB 1.596 33.486 31.823 0.113 0.000 0.987 1176 V HN 0.642 nan 8.190 nan 0.000 0.436 1177 L N 4.148 125.418 121.223 0.078 0.000 2.380 1177 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 1177 L C 0.894 177.843 176.870 0.131 0.000 1.138 1177 L CA 0.046 54.931 54.840 0.076 0.000 0.832 1177 L CB 0.980 43.094 42.059 0.091 0.000 1.124 1177 L HN 0.783 nan 8.230 nan 0.000 0.454 1178 A N 3.555 126.428 122.820 0.089 0.000 2.287 1178 A HA 0.735 5.055 4.320 -0.000 0.000 0.273 1178 A C -0.675 177.016 177.584 0.178 0.000 1.091 1178 A CA -0.212 51.866 52.037 0.069 0.000 0.817 1178 A CB 0.557 19.546 19.000 -0.018 0.000 1.069 1178 A HN 0.614 nan 8.150 nan 0.000 0.492 1179 F N -0.895 119.058 119.950 0.006 0.000 2.619 1179 F HA 0.530 5.057 4.527 -0.000 0.000 0.308 1179 F C -0.349 175.454 175.800 0.005 0.000 1.097 1179 F CA -1.164 56.840 58.000 0.007 0.000 0.953 1179 F CB 1.407 40.413 39.000 0.010 0.000 1.287 1179 F HN 0.632 nan 8.300 nan 0.000 0.446 1180 Q N 3.776 123.647 119.800 0.118 0.000 2.296 1180 Q HA 0.266 4.605 4.340 -0.000 0.000 0.262 1180 Q C -0.542 175.535 176.000 0.128 0.000 0.981 1180 Q CA -0.397 55.425 55.803 0.031 0.000 0.905 1180 Q CB 1.464 30.227 28.738 0.042 0.000 1.186 1180 Q HN 0.668 nan 8.270 nan 0.000 0.399 1181 K N 0.000 120.410 120.400 0.016 0.000 2.780 1181 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1181 K CA 0.000 56.346 56.287 0.098 0.000 0.838 1181 K CB 0.000 32.509 32.500 0.016 0.000 1.064 1181 K HN 0.000 nan 8.250 nan 0.000 0.543