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 3dkg_1_A DATA FIRST_RESID 1050 DATA SEQUENCE TVHIDLSALN PELVQAVQHV VIGPSSLIVH FNEVIXXXXX XCVYHGTLLD DATA SEQUENCE XXXKKIHCAV KSLNRITDIG EVSQFLTEGI IMKDFSHPNV LSLLGICLRS DATA SEQUENCE EGSPLVVLPY MKHGDLRNFI RNETHNPTVK DLIGFGLQVA KGMKFLASKK DATA SEQUENCE FVHRDLAARN CMLDEKFTVK VADFGLARXX XXXXXXXXXX XXXXXLPVKW DATA SEQUENCE MALESLQTQK FTTKSDVWSF GVLLWELMTR GAPPYPDVNT FDITVYLLQG DATA SEQUENCE RRLLQPEYCP DPLYEVMLKC WHPKAEMRPS FSELVSRISA IFSTFIGEHY DATA SEQUENCE VHVNATY 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 1050 T HA 0.000 nan 4.350 nan 0.000 0.228 1050 T C 0.000 174.713 174.700 0.021 0.000 1.109 1050 T CA 0.000 62.105 62.100 0.008 0.000 1.349 1050 T CB 0.000 68.872 68.868 0.007 0.000 0.612 1051 V N 2.225 122.147 119.914 0.015 0.000 2.585 1051 V HA 0.650 4.770 4.120 -0.001 0.000 0.296 1051 V C 0.452 176.570 176.094 0.040 0.000 1.035 1051 V CA -0.053 62.263 62.300 0.026 0.000 1.084 1051 V CB -0.220 31.605 31.823 0.003 0.000 0.953 1051 V HN 0.736 nan 8.190 nan 0.000 0.483 1052 H N 4.698 123.758 119.070 -0.016 0.000 2.683 1052 H HA 0.650 5.206 4.556 -0.001 0.000 0.339 1052 H C -0.607 174.711 175.328 -0.016 0.000 1.081 1052 H CA -0.139 55.899 56.048 -0.016 0.000 1.432 1052 H CB 1.301 31.055 29.762 -0.014 0.000 1.462 1052 H HN 0.828 nan 8.280 nan 0.000 0.557 1053 I N 4.550 124.690 120.570 -0.716 0.000 2.466 1053 I HA 0.208 4.377 4.170 -0.001 0.000 0.289 1053 I C -1.228 174.469 176.117 -0.701 0.000 1.026 1053 I CA -0.848 60.112 61.300 -0.568 0.000 1.078 1053 I CB 1.302 39.153 38.000 -0.249 0.000 1.249 1053 I HN 0.656 nan 8.210 nan 0.000 0.429 1054 D N 7.091 127.239 120.400 -0.420 0.000 2.373 1054 D HA 0.267 4.906 4.640 -0.001 0.000 0.227 1054 D C 0.780 177.029 176.300 -0.086 0.000 1.091 1054 D CA -0.191 53.719 54.000 -0.150 0.000 0.840 1054 D CB 1.380 42.200 40.800 0.034 0.000 1.060 1054 D HN 0.567 nan 8.370 nan 0.000 0.502 1055 L N 2.573 123.757 121.223 -0.065 0.000 2.376 1055 L HA -0.097 4.242 4.340 -0.001 0.000 0.219 1055 L C 2.287 179.149 176.870 -0.014 0.000 1.133 1055 L CA 0.661 55.478 54.840 -0.038 0.000 0.816 1055 L CB -0.376 41.666 42.059 -0.030 0.000 0.933 1055 L HN 0.382 nan 8.230 nan 0.000 0.449 1056 S N 0.290 115.988 115.700 -0.004 0.000 2.500 1056 S HA -0.102 4.367 4.470 -0.001 0.000 0.239 1056 S C 1.933 176.536 174.600 0.005 0.000 0.989 1056 S CA 0.698 58.901 58.200 0.006 0.000 0.951 1056 S CB -0.304 62.904 63.200 0.013 0.000 0.759 1056 S HN 0.352 nan 8.310 nan 0.000 0.523 1057 A N 0.791 123.611 122.820 0.000 0.000 2.239 1057 A HA 0.402 4.721 4.320 -0.001 0.000 0.209 1057 A C 0.828 178.413 177.584 0.001 0.000 1.171 1057 A CA -0.044 51.994 52.037 0.001 0.000 0.768 1057 A CB -0.517 18.481 19.000 -0.003 0.000 0.790 1057 A HN 0.581 nan 8.150 nan 0.000 0.478 1058 L N -0.183 121.041 121.223 0.002 0.000 2.417 1058 L HA 0.230 4.569 4.340 -0.001 0.000 0.268 1058 L C 1.139 178.014 176.870 0.009 0.000 1.158 1058 L CA -0.040 54.804 54.840 0.007 0.000 0.819 1058 L CB 0.195 42.260 42.059 0.010 0.000 1.112 1058 L HN 0.463 nan 8.230 nan 0.000 0.458 1059 N N 2.977 121.683 118.700 0.010 0.000 2.440 1059 N HA 0.110 4.849 4.740 -0.001 0.000 0.265 1059 N C -1.844 173.673 175.510 0.012 0.000 1.239 1059 N CA -1.187 51.870 53.050 0.011 0.000 0.909 1059 N CB -0.211 38.283 38.487 0.011 0.000 1.066 1059 N HN 0.436 nan 8.380 nan 0.000 0.474 1060 P HA -0.089 nan 4.420 nan 0.000 0.219 1060 P C 1.721 179.029 177.300 0.014 0.000 1.146 1060 P CA 1.931 65.038 63.100 0.012 0.000 0.808 1060 P CB 0.241 31.948 31.700 0.011 0.000 0.779 1061 E N -0.167 120.042 120.200 0.014 0.000 2.072 1061 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 1061 E C 1.883 178.494 176.600 0.019 0.000 0.985 1061 E CA 1.362 57.773 56.400 0.017 0.000 0.801 1061 E CB -1.567 28.142 29.700 0.015 0.000 0.750 1061 E HN 0.164 nan 8.360 nan 0.000 0.452 1062 L N 0.220 121.452 121.223 0.016 0.000 2.072 1062 L HA 0.110 4.449 4.340 -0.001 0.000 0.205 1062 L C 2.863 179.739 176.870 0.010 0.000 1.079 1062 L CA 2.090 56.938 54.840 0.013 0.000 0.752 1062 L CB -0.400 41.666 42.059 0.011 0.000 0.906 1062 L HN 0.311 nan 8.230 nan 0.000 0.436 1063 V N -1.042 118.879 119.914 0.012 0.000 2.332 1063 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 1063 V C 2.451 178.553 176.094 0.013 0.000 1.055 1063 V CA 3.371 65.677 62.300 0.010 0.000 1.038 1063 V CB -1.534 30.297 31.823 0.012 0.000 0.651 1063 V HN 0.552 nan 8.190 nan 0.000 0.450 1064 Q N -0.297 119.515 119.800 0.021 0.000 2.084 1064 Q HA 0.045 4.384 4.340 -0.001 0.000 0.202 1064 Q C 2.442 178.475 176.000 0.056 0.000 0.978 1064 Q CA 2.733 58.556 55.803 0.033 0.000 0.844 1064 Q CB -1.115 27.641 28.738 0.030 0.000 0.898 1064 Q HN 1.395 nan 8.270 nan 0.000 0.426 1065 A N -0.405 122.448 122.820 0.054 0.000 2.015 1065 A HA 0.124 4.443 4.320 -0.001 0.000 0.219 1065 A C 2.334 179.973 177.584 0.092 0.000 1.163 1065 A CA 1.585 53.678 52.037 0.094 0.000 0.646 1065 A CB -0.244 18.795 19.000 0.065 0.000 0.806 1065 A HN 0.732 nan 8.150 nan 0.000 0.448 1066 V N -0.360 119.540 119.914 -0.023 0.000 3.649 1066 V HA -0.037 4.082 4.120 -0.001 0.000 0.275 1066 V C 1.955 177.921 176.094 -0.214 0.000 1.281 1066 V CA 0.725 62.921 62.300 -0.174 0.000 1.143 1066 V CB -0.304 31.445 31.823 -0.124 0.000 0.892 1066 V HN 0.489 nan 8.190 nan 0.000 0.441 1067 Q N 0.822 120.583 119.800 -0.064 0.000 2.135 1067 Q HA -0.226 4.113 4.340 -0.001 0.000 0.204 1067 Q C 1.941 177.923 176.000 -0.029 0.000 0.981 1067 Q CA 2.348 58.137 55.803 -0.022 0.000 0.856 1067 Q CB -0.516 28.245 28.738 0.038 0.000 0.902 1067 Q HN 1.080 nan 8.270 nan 0.000 0.425 1068 H N -2.050 117.014 119.070 -0.010 0.000 2.559 1068 H HA 0.092 4.647 4.556 -0.001 0.000 0.273 1068 H C 1.477 176.794 175.328 -0.018 0.000 1.000 1068 H CA 0.800 56.841 56.048 -0.010 0.000 1.195 1068 H CB -0.034 29.723 29.762 -0.008 0.000 1.368 1068 H HN -0.019 nan 8.280 nan 0.000 0.592 1069 V N 0.187 119.827 119.914 -0.456 0.000 3.307 1069 V HA 0.054 4.173 4.120 -0.001 0.000 0.253 1069 V C 0.854 176.854 176.094 -0.156 0.000 1.149 1069 V CA 0.033 62.150 62.300 -0.305 0.000 1.112 1069 V CB 0.366 31.950 31.823 -0.397 0.000 0.777 1069 V HN 0.188 nan 8.190 nan 0.000 0.464 1070 V N 2.190 122.030 119.914 -0.124 0.000 2.572 1070 V HA 0.202 4.321 4.120 -0.001 0.000 0.291 1070 V C -0.014 176.066 176.094 -0.024 0.000 1.039 1070 V CA 0.148 62.415 62.300 -0.054 0.000 1.055 1070 V CB 1.119 32.922 31.823 -0.034 0.000 0.969 1070 V HN 0.250 nan 8.190 nan 0.000 0.482 1071 I N 3.998 124.563 120.570 -0.008 0.000 2.321 1071 I HA 0.404 4.573 4.170 -0.001 0.000 0.291 1071 I C 1.138 177.260 176.117 0.008 0.000 0.998 1071 I CA -0.144 61.157 61.300 0.001 0.000 1.227 1071 I CB 1.331 39.333 38.000 0.004 0.000 1.368 1071 I HN 0.738 nan 8.210 nan 0.000 0.466 1072 G N 7.227 116.031 108.800 0.007 0.000 2.414 1072 G HA2 0.104 4.063 3.960 -0.001 0.000 0.236 1072 G HA3 0.104 4.063 3.960 -0.001 0.000 0.236 1072 G C -1.295 173.610 174.900 0.009 0.000 1.293 1072 G CA -0.759 44.346 45.100 0.008 0.000 0.869 1072 G HN 0.495 nan 8.290 nan 0.000 0.556 1073 P HA -0.077 nan 4.420 nan 0.000 0.221 1073 P C 1.500 178.803 177.300 0.005 0.000 1.145 1073 P CA 1.864 64.970 63.100 0.010 0.000 0.795 1073 P CB 0.278 31.984 31.700 0.010 0.000 0.775 1074 S N -1.205 114.496 115.700 0.002 0.000 2.577 1074 S HA 0.229 4.698 4.470 -0.001 0.000 0.219 1074 S C 1.750 176.349 174.600 -0.002 0.000 0.962 1074 S CA 0.083 58.282 58.200 -0.002 0.000 0.921 1074 S CB -0.325 62.873 63.200 -0.002 0.000 0.789 1074 S HN -0.014 nan 8.310 nan 0.000 0.497 1075 S N -0.206 115.495 115.700 0.001 0.000 2.502 1075 S HA 0.453 4.922 4.470 -0.001 0.000 0.215 1075 S C 0.449 175.050 174.600 0.002 0.000 1.009 1075 S CA 0.588 58.789 58.200 0.002 0.000 0.908 1075 S CB 0.324 63.527 63.200 0.006 0.000 0.801 1075 S HN 0.865 nan 8.310 nan 0.000 0.505 1076 L N 0.950 122.171 121.223 -0.003 0.000 2.372 1076 L HA 0.951 5.290 4.340 -0.001 0.000 0.274 1076 L C -0.391 176.460 176.870 -0.032 0.000 0.988 1076 L CA -0.894 53.942 54.840 -0.007 0.000 0.833 1076 L CB 0.010 42.068 42.059 -0.002 0.000 1.236 1076 L HN 0.240 nan 8.230 nan 0.000 0.410 1077 I N 2.973 123.511 120.570 -0.053 0.000 2.310 1077 I HA 0.667 4.836 4.170 -0.001 0.000 0.287 1077 I C 0.288 176.268 176.117 -0.228 0.000 1.073 1077 I CA -0.913 60.302 61.300 -0.142 0.000 1.216 1077 I CB 0.636 38.528 38.000 -0.180 0.000 1.415 1077 I HN 0.660 nan 8.210 nan 0.000 0.480 1078 V N 6.509 126.278 119.914 -0.241 0.000 2.439 1078 V HA 0.164 4.283 4.120 -0.001 0.000 0.271 1078 V C 0.870 176.664 176.094 -0.500 0.000 1.040 1078 V CA -0.310 61.748 62.300 -0.403 0.000 1.002 1078 V CB -0.119 31.272 31.823 -0.719 0.000 1.000 1078 V HN 0.819 nan 8.190 nan 0.000 0.477 1079 H N 6.283 125.199 119.070 -0.256 0.000 3.045 1079 H HA 0.124 4.679 4.556 -0.001 0.000 0.254 1079 H C 0.701 175.936 175.328 -0.156 0.000 1.747 1079 H CA 0.004 55.978 56.048 -0.124 0.000 1.444 1079 H CB -0.002 29.740 29.762 -0.034 0.000 1.778 1079 H HN 0.649 nan 8.280 nan 0.000 0.544 1080 F N 1.531 121.388 119.950 -0.155 0.000 2.373 1080 F HA -0.234 4.293 4.527 -0.001 0.000 0.300 1080 F C 2.555 178.348 175.800 -0.013 0.000 1.080 1080 F CA 1.233 59.011 58.000 -0.369 0.000 1.417 1080 F CB -0.499 38.252 39.000 -0.416 0.000 1.070 1080 F HN 0.570 nan 8.300 nan 0.000 0.546 1081 N N 0.498 119.324 118.700 0.209 0.000 2.270 1081 N HA 0.055 4.795 4.740 -0.001 0.000 0.181 1081 N C 1.076 176.705 175.510 0.198 0.000 1.016 1081 N CA 1.147 54.305 53.050 0.180 0.000 0.870 1081 N CB -0.715 37.848 38.487 0.127 0.000 0.979 1081 N HN 0.399 nan 8.380 nan 0.000 0.431 1082 E N 0.541 120.879 120.200 0.231 0.000 2.028 1082 E HA 0.559 4.908 4.350 -0.001 0.000 0.266 1082 E C -0.863 175.988 176.600 0.418 0.000 0.962 1082 E CA -0.603 55.932 56.400 0.226 0.000 0.784 1082 E CB 0.372 30.092 29.700 0.032 0.000 1.114 1082 E HN 0.448 nan 8.360 nan 0.000 0.414 1083 V N 4.263 124.374 119.914 0.327 0.000 2.407 1083 V HA 0.436 4.555 4.120 -0.001 0.000 0.278 1083 V C 0.526 176.708 176.094 0.146 0.000 1.037 1083 V CA -0.410 62.025 62.300 0.225 0.000 0.900 1083 V CB 0.778 32.684 31.823 0.139 0.000 0.983 1083 V HN 0.780 nan 8.190 nan 0.000 0.459 1092 V N 6.694 126.369 119.914 -0.397 0.000 2.540 1092 V HA 0.646 4.765 4.120 -0.001 0.000 0.302 1092 V C -0.815 175.002 176.094 -0.461 0.000 1.035 1092 V CA -0.438 61.662 62.300 -0.332 0.000 0.873 1092 V CB 1.751 33.466 31.823 -0.180 0.000 0.992 1092 V HN 0.787 nan 8.190 nan 0.000 0.428 1093 Y N 1.556 121.828 120.300 -0.048 0.000 2.524 1093 Y HA 0.533 5.082 4.550 -0.001 0.000 0.344 1093 Y C 0.724 176.599 175.900 -0.041 0.000 1.012 1093 Y CA -1.030 57.050 58.100 -0.032 0.000 1.068 1093 Y CB 1.194 39.592 38.460 -0.104 0.000 1.249 1093 Y HN 0.556 nan 8.280 nan 0.000 0.468 1094 H N 0.649 119.841 119.070 0.203 0.000 2.897 1094 H HA 0.344 4.899 4.556 -0.001 0.000 0.347 1094 H C 0.129 175.550 175.328 0.154 0.000 1.068 1094 H CA 0.678 56.817 56.048 0.153 0.000 1.426 1094 H CB 0.904 30.683 29.762 0.029 0.000 1.410 1094 H HN 0.909 nan 8.280 nan 0.000 0.597 1095 G N 0.791 109.760 108.800 0.282 0.000 2.694 1095 G HA2 0.436 4.395 3.960 -0.001 0.000 0.290 1095 G HA3 0.436 4.395 3.960 -0.001 0.000 0.290 1095 G C -1.132 173.902 174.900 0.224 0.000 1.386 1095 G CA -0.584 44.660 45.100 0.240 0.000 0.872 1095 G HN 0.497 nan 8.290 nan 0.000 0.475 1096 T N 0.223 114.881 114.554 0.172 0.000 2.861 1096 T HA 0.604 4.954 4.350 -0.001 0.000 0.287 1096 T C -1.139 173.597 174.700 0.061 0.000 1.003 1096 T CA -0.347 61.819 62.100 0.110 0.000 0.977 1096 T CB 1.835 70.783 68.868 0.133 0.000 0.996 1096 T HN 0.423 nan 8.240 nan 0.000 0.448 1097 L N 2.697 123.951 121.223 0.051 0.000 2.381 1097 L HA 0.892 5.231 4.340 -0.001 0.000 0.268 1097 L C -0.677 176.208 176.870 0.024 0.000 0.997 1097 L CA -0.621 54.239 54.840 0.033 0.000 0.818 1097 L CB 1.308 43.388 42.059 0.035 0.000 1.310 1097 L HN 0.766 nan 8.230 nan 0.000 0.416 1098 L N 1.599 122.832 121.223 0.016 0.000 2.309 1098 L HA 0.992 5.331 4.340 -0.001 0.000 0.282 1098 L C -0.044 176.833 176.870 0.011 0.000 1.036 1098 L CA 0.335 55.182 54.840 0.012 0.000 0.806 1098 L CB 0.498 42.561 42.059 0.007 0.000 1.220 1098 L HN 0.882 nan 8.230 nan 0.000 0.429 1104 K N 2.042 122.445 120.400 0.006 0.000 2.349 1104 K HA 0.760 5.079 4.320 -0.001 0.000 0.288 1104 K C -0.024 176.587 176.600 0.018 0.000 1.058 1104 K CA 0.036 56.327 56.287 0.007 0.000 0.953 1104 K CB -0.163 32.334 32.500 -0.006 0.000 0.997 1104 K HN 0.668 nan 8.250 nan 0.000 0.477 1105 I N 2.394 122.984 120.570 0.033 0.000 2.389 1105 I HA 0.197 4.366 4.170 -0.001 0.000 0.288 1105 I C 0.230 176.409 176.117 0.105 0.000 0.999 1105 I CA -0.914 60.421 61.300 0.059 0.000 1.129 1105 I CB 1.839 39.868 38.000 0.048 0.000 1.288 1105 I HN 0.821 nan 8.210 nan 0.000 0.444 1106 H N 6.017 125.081 119.070 -0.010 0.000 2.767 1106 H HA 0.402 4.958 4.556 -0.001 0.000 0.316 1106 H C -0.605 174.746 175.328 0.038 0.000 1.059 1106 H CA -0.592 55.435 56.048 -0.036 0.000 1.461 1106 H CB 0.786 30.479 29.762 -0.115 0.000 1.475 1106 H HN 0.842 nan 8.280 nan 0.000 0.531 1107 C N 2.999 122.466 119.300 0.278 0.000 3.171 1107 C HA 0.851 5.311 4.460 -0.001 0.000 0.308 1107 C C -0.307 174.763 174.990 0.133 0.000 1.334 1107 C CA -0.919 58.182 59.018 0.138 0.000 1.473 1107 C CB 0.692 28.487 27.740 0.091 0.000 1.866 1107 C HN 0.947 nan 8.230 nan 0.000 0.465 1108 A N 1.180 124.042 122.820 0.069 0.000 2.276 1108 A HA 0.712 5.031 4.320 -0.001 0.000 0.316 1108 A C -0.617 176.976 177.584 0.014 0.000 1.229 1108 A CA -0.385 51.669 52.037 0.028 0.000 0.851 1108 A CB 0.451 19.427 19.000 -0.041 0.000 1.165 1108 A HN 1.336 nan 8.150 nan 0.000 0.513 1109 V N 2.791 122.725 119.914 0.033 0.000 2.313 1109 V HA 0.583 4.702 4.120 -0.001 0.000 0.278 1109 V C 0.598 176.726 176.094 0.058 0.000 1.017 1109 V CA -0.392 61.935 62.300 0.045 0.000 0.823 1109 V CB 0.878 32.724 31.823 0.038 0.000 1.010 1109 V HN 0.997 nan 8.190 nan 0.000 0.443 1110 K N 2.056 122.473 120.400 0.028 0.000 2.262 1110 K HA 0.588 4.908 4.320 -0.001 0.000 0.282 1110 K C 0.284 176.924 176.600 0.067 0.000 1.066 1110 K CA -0.125 56.171 56.287 0.014 0.000 0.901 1110 K CB 1.333 33.823 32.500 -0.017 0.000 1.089 1110 K HN 0.685 nan 8.250 nan 0.000 0.476 1111 S N 3.636 119.400 115.700 0.106 0.000 2.409 1111 S HA 0.473 4.942 4.470 -0.001 0.000 0.308 1111 S C -0.087 174.559 174.600 0.077 0.000 1.080 1111 S CA -0.636 57.659 58.200 0.159 0.000 1.081 1111 S CB -0.535 62.885 63.200 0.368 0.000 1.009 1111 S HN 0.466 nan 8.310 nan 0.000 0.502 1112 L N 4.586 125.828 121.223 0.032 0.000 2.475 1112 L HA 0.394 4.733 4.340 -0.001 0.000 0.253 1112 L C 1.006 177.862 176.870 -0.023 0.000 1.198 1112 L CA 0.038 54.871 54.840 -0.013 0.000 0.814 1112 L CB 0.180 42.203 42.059 -0.059 0.000 1.134 1112 L HN 0.566 nan 8.230 nan 0.000 0.478 1113 N N 0.647 119.326 118.700 -0.036 0.000 2.453 1113 N HA 0.061 4.800 4.740 -0.001 0.000 0.253 1113 N C 0.003 175.468 175.510 -0.075 0.000 1.252 1113 N CA -0.131 52.896 53.050 -0.039 0.000 0.917 1113 N CB 0.203 38.670 38.487 -0.033 0.000 1.117 1113 N HN 0.352 nan 8.380 nan 0.000 0.442 1114 R N 1.302 121.764 120.500 -0.063 0.000 2.522 1114 R HA 0.118 4.457 4.340 -0.001 0.000 0.284 1114 R C -0.264 175.976 176.300 -0.101 0.000 1.032 1114 R CA 0.199 56.248 56.100 -0.084 0.000 1.049 1114 R CB 0.124 30.389 30.300 -0.059 0.000 0.956 1114 R HN 0.496 nan 8.270 nan 0.000 0.422 1115 I N 4.111 124.598 120.570 -0.139 0.000 2.330 1115 I HA 0.125 4.294 4.170 -0.001 0.000 0.289 1115 I C 1.020 177.072 176.117 -0.109 0.000 1.001 1115 I CA -0.272 60.949 61.300 -0.132 0.000 1.193 1115 I CB 1.913 39.797 38.000 -0.193 0.000 1.345 1115 I HN 0.753 nan 8.210 nan 0.000 0.461 1116 T N -0.546 113.959 114.554 -0.081 0.000 3.085 1116 T HA 0.158 4.507 4.350 -0.001 0.000 0.264 1116 T C 0.156 174.818 174.700 -0.063 0.000 1.019 1116 T CA -0.353 61.701 62.100 -0.078 0.000 0.910 1116 T CB 0.055 68.887 68.868 -0.061 0.000 1.059 1116 T HN 0.453 nan 8.240 nan 0.000 0.542 1117 D N 1.002 121.370 120.400 -0.052 0.000 2.308 1117 D HA 0.282 4.921 4.640 -0.001 0.000 0.242 1117 D C 0.913 177.194 176.300 -0.031 0.000 1.059 1117 D CA -0.650 53.329 54.000 -0.035 0.000 0.830 1117 D CB 1.396 42.182 40.800 -0.023 0.000 1.161 1117 D HN -0.106 nan 8.370 nan 0.000 0.494 1118 I N 3.174 123.728 120.570 -0.026 0.000 2.361 1118 I HA -0.128 4.042 4.170 -0.001 0.000 0.251 1118 I C 2.217 178.335 176.117 0.001 0.000 1.133 1118 I CA 1.028 62.319 61.300 -0.016 0.000 1.413 1118 I CB -0.939 37.052 38.000 -0.015 0.000 1.073 1118 I HN 0.541 nan 8.210 nan 0.000 0.424 1119 G N 0.191 108.992 108.800 0.002 0.000 2.408 1119 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.217 1119 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.217 1119 G C 1.581 176.493 174.900 0.019 0.000 1.150 1119 G CA 0.179 45.285 45.100 0.011 0.000 0.776 1119 G HN 0.403 nan 8.290 nan 0.000 0.542 1120 E N 0.010 120.218 120.200 0.013 0.000 2.072 1120 E HA -0.061 4.288 4.350 -0.001 0.000 0.191 1120 E C 2.742 179.372 176.600 0.051 0.000 0.985 1120 E CA 0.737 57.150 56.400 0.022 0.000 0.801 1120 E CB -0.079 29.620 29.700 -0.003 0.000 0.750 1120 E HN 0.284 nan 8.360 nan 0.000 0.452 1121 V N 1.200 121.131 119.914 0.028 0.000 2.392 1121 V HA -0.262 3.857 4.120 -0.001 0.000 0.249 1121 V C 2.265 178.438 176.094 0.131 0.000 1.059 1121 V CA 1.844 64.181 62.300 0.062 0.000 1.051 1121 V CB -0.413 31.417 31.823 0.011 0.000 0.658 1121 V HN 0.196 nan 8.190 nan 0.000 0.455 1122 S N -0.921 114.823 115.700 0.073 0.000 2.368 1122 S HA -0.211 4.259 4.470 -0.001 0.000 0.225 1122 S C 2.005 176.638 174.600 0.055 0.000 1.030 1122 S CA 1.131 59.364 58.200 0.056 0.000 0.999 1122 S CB -0.291 62.928 63.200 0.031 0.000 0.844 1122 S HN 0.552 nan 8.310 nan 0.000 0.459 1123 Q N -0.022 119.816 119.800 0.064 0.000 2.167 1123 Q HA 0.016 4.355 4.340 -0.001 0.000 0.202 1123 Q C 1.859 177.898 176.000 0.065 0.000 0.970 1123 Q CA 0.831 56.664 55.803 0.050 0.000 0.855 1123 Q CB -0.435 28.332 28.738 0.047 0.000 0.911 1123 Q HN 0.639 nan 8.270 nan 0.000 0.438 1124 F N 1.161 121.089 119.950 -0.038 0.000 2.102 1124 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 1124 F C 1.890 177.655 175.800 -0.057 0.000 1.105 1124 F CA 1.117 59.088 58.000 -0.048 0.000 1.239 1124 F CB -0.221 38.753 39.000 -0.044 0.000 0.991 1124 F HN -0.042 nan 8.300 nan 0.000 0.474 1125 L N -0.486 120.691 121.223 -0.077 0.000 2.093 1125 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 1125 L C 2.298 179.055 176.870 -0.188 0.000 1.085 1125 L CA 1.639 56.368 54.840 -0.185 0.000 0.755 1125 L CB -1.235 40.812 42.059 -0.021 0.000 0.904 1125 L HN 0.148 nan 8.230 nan 0.000 0.435 1126 T N -0.620 113.869 114.554 -0.109 0.000 2.777 1126 T HA -0.150 4.199 4.350 -0.001 0.000 0.266 1126 T C 2.247 176.870 174.700 -0.128 0.000 1.040 1126 T CA 1.531 63.578 62.100 -0.087 0.000 1.141 1126 T CB -0.282 68.563 68.868 -0.037 0.000 0.868 1126 T HN 0.561 nan 8.240 nan 0.000 0.444 1127 E N 1.338 121.441 120.200 -0.162 0.000 2.077 1127 E HA -0.015 4.334 4.350 -0.001 0.000 0.193 1127 E C 2.483 178.914 176.600 -0.282 0.000 0.989 1127 E CA 1.512 57.792 56.400 -0.201 0.000 0.800 1127 E CB -1.647 27.945 29.700 -0.179 0.000 0.746 1127 E HN 0.577 nan 8.360 nan 0.000 0.452 1128 G N 0.480 109.056 108.800 -0.374 0.000 2.440 1128 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.218 1128 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.218 1128 G C 1.869 176.613 174.900 -0.260 0.000 1.154 1128 G CA 1.125 45.993 45.100 -0.387 0.000 0.767 1128 G HN 0.507 nan 8.290 nan 0.000 0.552 1129 I N 0.379 120.828 120.570 -0.202 0.000 2.202 1129 I HA -0.104 4.065 4.170 -0.001 0.000 0.242 1129 I C 2.645 178.735 176.117 -0.044 0.000 1.091 1129 I CA 0.780 62.024 61.300 -0.092 0.000 1.368 1129 I CB -0.138 37.841 38.000 -0.035 0.000 1.058 1129 I HN 0.159 nan 8.210 nan 0.000 0.410 1130 I N -0.122 120.386 120.570 -0.104 0.000 2.202 1130 I HA -0.327 3.842 4.170 -0.001 0.000 0.242 1130 I C 2.612 178.570 176.117 -0.265 0.000 1.091 1130 I CA 1.466 62.692 61.300 -0.124 0.000 1.368 1130 I CB -0.314 37.590 38.000 -0.160 0.000 1.058 1130 I HN 0.257 nan 8.210 nan 0.000 0.410 1131 M N 0.736 120.113 119.600 -0.372 0.000 2.213 1131 M HA -0.230 4.249 4.480 -0.001 0.000 0.263 1131 M C 2.220 178.454 176.300 -0.111 0.000 1.062 1131 M CA 1.646 56.700 55.300 -0.410 0.000 1.105 1131 M CB -0.029 32.336 32.600 -0.392 0.000 1.385 1131 M HN -0.023 nan 8.290 nan 0.000 0.417 1132 K N 0.804 121.165 120.400 -0.065 0.000 2.152 1132 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 1132 K C 0.614 177.291 176.600 0.129 0.000 1.048 1132 K CA 1.840 58.144 56.287 0.028 0.000 0.933 1132 K CB -0.215 32.309 32.500 0.038 0.000 0.721 1132 K HN 0.360 nan 8.250 nan 0.000 0.447 1133 D N -1.100 119.414 120.400 0.191 0.000 2.339 1133 D HA 0.060 4.699 4.640 -0.001 0.000 0.217 1133 D C -0.434 176.152 176.300 0.477 0.000 1.050 1133 D CA 0.233 54.397 54.000 0.274 0.000 0.856 1133 D CB 0.012 40.954 40.800 0.237 0.000 0.922 1133 D HN 0.163 nan 8.370 nan 0.000 0.518 1134 F N 0.989 121.039 119.950 0.167 0.000 2.640 1134 F HA 0.149 4.675 4.527 -0.001 0.000 0.354 1134 F C 0.778 176.657 175.800 0.132 0.000 1.213 1134 F CA -0.514 57.667 58.000 0.302 0.000 1.314 1134 F CB 0.315 39.469 39.000 0.257 0.000 1.679 1134 F HN -0.223 nan 8.300 nan 0.000 0.622 1135 S N 2.486 118.268 115.700 0.137 0.000 2.420 1135 S HA 0.285 4.754 4.470 -0.001 0.000 0.313 1135 S C -0.965 173.367 174.600 -0.446 0.000 1.079 1135 S CA -0.281 57.862 58.200 -0.095 0.000 1.104 1135 S CB 0.120 63.322 63.200 0.003 0.000 0.969 1135 S HN 0.581 nan 8.310 nan 0.000 0.471 1136 H N 4.549 123.276 119.070 -0.573 0.000 3.112 1136 H HA 0.297 4.852 4.556 -0.001 0.000 0.347 1136 H C -2.662 172.473 175.328 -0.321 0.000 1.188 1136 H CA -1.165 54.499 56.048 -0.640 0.000 1.240 1136 H CB 2.093 31.099 29.762 -1.261 0.000 1.920 1136 H HN 0.338 nan 8.280 nan 0.000 0.535 1137 P HA -0.029 nan 4.420 nan 0.000 0.221 1137 P C -0.019 177.231 177.300 -0.084 0.000 1.145 1137 P CA 1.185 64.112 63.100 -0.288 0.000 0.795 1137 P CB 0.236 31.734 31.700 -0.337 0.000 0.775 1138 N N -1.246 117.542 118.700 0.147 0.000 2.328 1138 N HA 0.196 4.935 4.740 -0.001 0.000 0.247 1138 N C -0.986 174.581 175.510 0.096 0.000 1.165 1138 N CA -0.159 52.976 53.050 0.142 0.000 0.873 1138 N CB 0.759 39.344 38.487 0.163 0.000 1.125 1138 N HN -0.115 nan 8.380 nan 0.000 0.513 1139 V N 1.342 121.306 119.914 0.084 0.000 2.638 1139 V HA 0.266 4.385 4.120 -0.001 0.000 0.306 1139 V C -0.510 175.673 176.094 0.149 0.000 1.052 1139 V CA -0.998 61.362 62.300 0.101 0.000 0.885 1139 V CB 2.318 34.150 31.823 0.015 0.000 0.999 1139 V HN 0.085 nan 8.190 nan 0.000 0.424 1140 L N 5.132 126.500 121.223 0.241 0.000 2.534 1140 L HA 0.298 4.637 4.340 -0.001 0.000 0.271 1140 L C 0.834 177.765 176.870 0.102 0.000 1.178 1140 L CA 0.874 55.787 54.840 0.122 0.000 0.907 1140 L CB 0.945 43.041 42.059 0.061 0.000 1.164 1140 L HN 0.919 nan 8.230 nan 0.000 0.482 1141 S N 5.141 120.858 115.700 0.028 0.000 2.586 1141 S HA 0.443 4.912 4.470 -0.001 0.000 0.274 1141 S C -0.318 174.254 174.600 -0.048 0.000 1.281 1141 S CA -0.958 57.250 58.200 0.014 0.000 1.035 1141 S CB 1.215 64.416 63.200 0.002 0.000 0.962 1141 S HN 0.618 nan 8.310 nan 0.000 0.512 1142 L N 3.884 125.071 121.223 -0.060 0.000 2.278 1142 L HA 0.381 4.720 4.340 -0.001 0.000 0.287 1142 L C 0.636 177.474 176.870 -0.055 0.000 1.072 1142 L CA -0.142 54.641 54.840 -0.094 0.000 0.819 1142 L CB -0.040 41.937 42.059 -0.137 0.000 1.176 1142 L HN 0.928 nan 8.230 nan 0.000 0.435 1143 L N 4.775 125.970 121.223 -0.047 0.000 2.109 1143 L HA 0.296 4.635 4.340 -0.001 0.000 0.207 1143 L C 1.154 178.005 176.870 -0.031 0.000 1.086 1143 L CA 0.788 55.613 54.840 -0.026 0.000 0.760 1143 L CB -0.558 41.493 42.059 -0.013 0.000 0.910 1143 L HN 0.881 nan 8.230 nan 0.000 0.437 1144 G N -0.323 108.448 108.800 -0.049 0.000 2.324 1144 G HA2 0.336 4.295 3.960 -0.001 0.000 0.293 1144 G HA3 0.336 4.295 3.960 -0.001 0.000 0.293 1144 G C -1.785 173.081 174.900 -0.056 0.000 1.297 1144 G CA -0.464 44.598 45.100 -0.063 0.000 0.853 1144 G HN 0.045 nan 8.290 nan 0.000 0.535 1145 I N -2.870 117.670 120.570 -0.050 0.000 2.828 1145 I HA 0.817 4.987 4.170 -0.001 0.000 0.302 1145 I C -0.580 175.577 176.117 0.066 0.000 1.101 1145 I CA -1.140 60.172 61.300 0.020 0.000 1.031 1145 I CB 2.118 40.096 38.000 -0.037 0.000 1.231 1145 I HN 0.588 nan 8.210 nan 0.000 0.427 1146 C N 4.618 123.990 119.300 0.121 0.000 2.455 1146 C HA 0.721 5.180 4.460 -0.001 0.000 0.320 1146 C C -0.445 174.616 174.990 0.118 0.000 1.226 1146 C CA -0.493 58.582 59.018 0.096 0.000 1.569 1146 C CB 1.279 29.057 27.740 0.064 0.000 2.200 1146 C HN 0.679 nan 8.230 nan 0.000 0.491 1147 L N 4.676 125.950 121.223 0.085 0.000 2.353 1147 L HA 0.511 4.850 4.340 -0.001 0.000 0.270 1147 L C 0.142 177.016 176.870 0.006 0.000 1.003 1147 L CA 0.038 54.896 54.840 0.030 0.000 0.862 1147 L CB 0.097 42.187 42.059 0.052 0.000 1.221 1147 L HN 0.606 nan 8.230 nan 0.000 0.430 1148 R N 1.515 122.011 120.500 -0.007 0.000 2.726 1148 R HA 0.263 4.602 4.340 -0.001 0.000 0.272 1148 R C 0.263 176.550 176.300 -0.021 0.000 1.097 1148 R CA -0.447 55.650 56.100 -0.005 0.000 1.198 1148 R CB 0.550 30.851 30.300 0.002 0.000 1.114 1148 R HN 0.656 nan 8.270 nan 0.000 0.550 1149 S N 1.325 117.016 115.700 -0.015 0.000 2.552 1149 S HA -0.056 4.413 4.470 -0.001 0.000 0.289 1149 S C 0.170 174.752 174.600 -0.031 0.000 1.304 1149 S CA 0.280 58.470 58.200 -0.017 0.000 1.063 1149 S CB 0.144 63.342 63.200 -0.003 0.000 0.848 1149 S HN 0.497 nan 8.310 nan 0.000 0.499 1150 E N 2.149 122.319 120.200 -0.050 0.000 3.547 1150 E HA -0.190 4.160 4.350 -0.001 0.000 0.309 1150 E C 0.644 177.190 176.600 -0.091 0.000 0.855 1150 E CA 1.123 57.479 56.400 -0.074 0.000 1.122 1150 E CB -1.987 27.695 29.700 -0.029 0.000 1.569 1150 E HN 1.653 nan 8.360 nan 0.000 0.429 1151 G N 0.113 108.856 108.800 -0.095 0.000 2.182 1151 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.248 1151 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.248 1151 G C 0.067 174.886 174.900 -0.136 0.000 1.042 1151 G CA 0.472 45.499 45.100 -0.120 0.000 0.775 1151 G HN 0.318 nan 8.290 nan 0.000 0.501 1152 S N 2.026 117.667 115.700 -0.099 0.000 2.399 1152 S HA 0.532 5.001 4.470 -0.001 0.000 0.301 1152 S C -2.059 172.484 174.600 -0.095 0.000 1.093 1152 S CA -0.837 57.312 58.200 -0.085 0.000 1.077 1152 S CB 1.809 64.986 63.200 -0.037 0.000 0.980 1152 S HN 0.374 nan 8.310 nan 0.000 0.494 1153 P HA 0.457 nan 4.420 nan 0.000 0.288 1153 P C -0.999 176.285 177.300 -0.027 0.000 1.267 1153 P CA -0.582 62.389 63.100 -0.214 0.000 0.815 1153 P CB 0.724 32.043 31.700 -0.635 0.000 0.989 1154 L N 2.345 123.610 121.223 0.071 0.000 2.362 1154 L HA 0.538 4.877 4.340 -0.001 0.000 0.275 1154 L C -0.500 176.460 176.870 0.150 0.000 0.998 1154 L CA -1.163 53.740 54.840 0.104 0.000 0.820 1154 L CB 2.259 44.370 42.059 0.086 0.000 1.270 1154 L HN 0.036 nan 8.230 nan 0.000 0.415 1155 V N 3.907 123.888 119.914 0.112 0.000 2.384 1155 V HA 0.343 4.463 4.120 -0.001 0.000 0.287 1155 V C -0.062 176.043 176.094 0.019 0.000 1.020 1155 V CA -0.623 61.720 62.300 0.072 0.000 0.850 1155 V CB 2.031 33.889 31.823 0.057 0.000 0.987 1155 V HN 0.413 nan 8.190 nan 0.000 0.436 1156 V N 7.343 127.256 119.914 -0.001 0.000 2.350 1156 V HA 0.512 4.631 4.120 -0.001 0.000 0.276 1156 V C -0.130 175.945 176.094 -0.031 0.000 1.028 1156 V CA -0.268 62.028 62.300 -0.007 0.000 0.860 1156 V CB 1.165 32.989 31.823 0.003 0.000 0.990 1156 V HN 0.636 nan 8.190 nan 0.000 0.453 1157 L N 6.537 127.741 121.223 -0.033 0.000 2.341 1157 L HA 0.625 4.964 4.340 -0.001 0.000 0.267 1157 L C -2.617 174.233 176.870 -0.033 0.000 1.009 1157 L CA -2.241 52.567 54.840 -0.054 0.000 0.819 1157 L CB 2.566 44.575 42.059 -0.084 0.000 1.323 1157 L HN 0.361 nan 8.230 nan 0.000 0.425 1158 P HA -0.001 nan 4.420 nan 0.000 0.271 1158 P C -1.204 176.066 177.300 -0.050 0.000 1.216 1158 P CA -0.121 62.964 63.100 -0.025 0.000 0.776 1158 P CB 0.235 31.913 31.700 -0.037 0.000 0.881 1159 Y N 3.354 123.541 120.300 -0.189 0.000 2.526 1159 Y HA 0.133 4.682 4.550 -0.001 0.000 0.330 1159 Y C 0.167 175.922 175.900 -0.242 0.000 1.156 1159 Y CA 0.383 58.295 58.100 -0.314 0.000 1.419 1159 Y CB 0.241 38.299 38.460 -0.670 0.000 1.250 1159 Y HN 0.229 nan 8.280 nan 0.000 0.540 1160 M N 7.842 126.960 119.600 -0.803 0.000 2.103 1160 M HA 0.135 4.614 4.480 -0.001 0.000 0.350 1160 M C 1.089 176.929 176.300 -0.766 0.000 1.100 1160 M CA -0.216 54.733 55.300 -0.585 0.000 1.042 1160 M CB 1.114 33.491 32.600 -0.371 0.000 1.368 1160 M HN 0.819 nan 8.290 nan 0.000 0.404 1161 K N 1.902 121.976 120.400 -0.543 0.000 2.113 1161 K HA -0.178 4.142 4.320 -0.001 0.000 0.208 1161 K C 0.601 176.938 176.600 -0.438 0.000 1.047 1161 K CA 1.897 57.937 56.287 -0.411 0.000 0.928 1161 K CB 0.187 32.528 32.500 -0.265 0.000 0.716 1161 K HN 0.643 nan 8.250 nan 0.000 0.446 1162 H N -0.828 118.139 119.070 -0.172 0.000 2.520 1162 H HA 0.242 4.797 4.556 -0.001 0.000 0.284 1162 H C 0.623 175.954 175.328 0.004 0.000 1.037 1162 H CA 0.148 56.190 56.048 -0.011 0.000 1.168 1162 H CB 0.799 30.535 29.762 -0.043 0.000 1.497 1162 H HN 0.538 nan 8.280 nan 0.000 0.547 1163 G N 1.259 110.017 108.800 -0.070 0.000 2.601 1163 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.252 1163 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.252 1163 G C -0.351 174.524 174.900 -0.042 0.000 1.294 1163 G CA -0.184 44.879 45.100 -0.062 0.000 0.912 1163 G HN 0.532 nan 8.290 nan 0.000 0.574 1164 D N 0.112 120.509 120.400 -0.006 0.000 2.339 1164 D HA 0.285 4.924 4.640 -0.001 0.000 0.245 1164 D C 1.665 177.983 176.300 0.031 0.000 1.115 1164 D CA -0.144 53.851 54.000 -0.008 0.000 0.917 1164 D CB 1.597 42.397 40.800 0.001 0.000 1.192 1164 D HN 0.605 nan 8.370 nan 0.000 0.428 1165 L N 1.982 123.192 121.223 -0.022 0.000 2.131 1165 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 1165 L C 2.651 179.579 176.870 0.096 0.000 1.092 1165 L CA 1.512 56.330 54.840 -0.036 0.000 0.759 1165 L CB -0.749 41.239 42.059 -0.117 0.000 0.903 1165 L HN 0.588 nan 8.230 nan 0.000 0.435 1166 R N -0.683 119.874 120.500 0.096 0.000 2.073 1166 R HA -0.164 4.176 4.340 -0.001 0.000 0.234 1166 R C 2.051 178.437 176.300 0.144 0.000 1.134 1166 R CA 1.657 57.833 56.100 0.127 0.000 0.952 1166 R CB -0.259 30.110 30.300 0.115 0.000 0.850 1166 R HN 0.434 nan 8.270 nan 0.000 0.433 1167 N N 0.140 118.922 118.700 0.136 0.000 2.166 1167 N HA -0.185 4.554 4.740 -0.001 0.000 0.186 1167 N C 1.512 177.136 175.510 0.191 0.000 1.019 1167 N CA 1.140 54.270 53.050 0.135 0.000 0.856 1167 N CB -0.363 38.192 38.487 0.113 0.000 0.993 1167 N HN 0.186 nan 8.380 nan 0.000 0.426 1168 F N 2.507 122.531 119.950 0.122 0.000 2.069 1168 F HA -0.139 4.387 4.527 -0.001 0.000 0.298 1168 F C 2.273 178.247 175.800 0.291 0.000 1.113 1168 F CA 1.328 59.462 58.000 0.224 0.000 1.214 1168 F CB -0.302 38.752 39.000 0.090 0.000 0.978 1168 F HN -0.001 nan 8.300 nan 0.000 0.474 1169 I N -1.399 119.375 120.570 0.340 0.000 2.439 1169 I HA -0.145 4.025 4.170 -0.001 0.000 0.251 1169 I C 2.227 178.407 176.117 0.104 0.000 1.139 1169 I CA 1.174 62.617 61.300 0.238 0.000 1.438 1169 I CB -0.728 37.429 38.000 0.261 0.000 1.085 1169 I HN 0.085 nan 8.210 nan 0.000 0.427 1170 R N 1.434 121.986 120.500 0.088 0.000 2.115 1170 R HA -0.025 4.314 4.340 -0.001 0.000 0.230 1170 R C 0.929 177.212 176.300 -0.028 0.000 1.111 1170 R CA 0.425 56.550 56.100 0.042 0.000 0.976 1170 R CB -0.497 29.838 30.300 0.057 0.000 0.870 1170 R HN 0.404 nan 8.270 nan 0.000 0.445 1171 N N 1.799 120.436 118.700 -0.105 0.000 2.417 1171 N HA -0.099 4.641 4.740 -0.001 0.000 0.272 1171 N C 0.700 176.047 175.510 -0.271 0.000 1.304 1171 N CA 0.776 53.660 53.050 -0.277 0.000 0.906 1171 N CB 1.052 39.157 38.487 -0.637 0.000 1.135 1171 N HN 0.341 nan 8.380 nan 0.000 0.483 1172 E N 1.900 122.001 120.200 -0.166 0.000 2.409 1172 E HA -0.135 4.215 4.350 -0.001 0.000 0.198 1172 E C 1.590 178.123 176.600 -0.112 0.000 1.024 1172 E CA 1.553 57.893 56.400 -0.100 0.000 0.861 1172 E CB -0.811 28.856 29.700 -0.054 0.000 0.788 1172 E HN 0.818 nan 8.360 nan 0.000 0.521 1173 T N -2.832 111.602 114.554 -0.199 0.000 3.081 1173 T HA 0.072 4.421 4.350 -0.001 0.000 0.255 1173 T C 0.696 175.347 174.700 -0.080 0.000 1.113 1173 T CA 0.228 62.244 62.100 -0.140 0.000 1.082 1173 T CB -0.504 68.284 68.868 -0.134 0.000 0.939 1173 T HN 0.676 nan 8.240 nan 0.000 0.506 1174 H N 1.506 120.501 119.070 -0.125 0.000 2.525 1174 H HA 0.415 4.970 4.556 -0.001 0.000 0.339 1174 H C 0.000 175.276 175.328 -0.087 0.000 1.109 1174 H CA -0.906 55.043 56.048 -0.165 0.000 1.352 1174 H CB 0.562 30.091 29.762 -0.387 0.000 1.461 1174 H HN 0.154 nan 8.280 nan 0.000 0.533 1175 N N 4.323 123.078 118.700 0.091 0.000 2.990 1175 N HA 0.125 4.864 4.740 -0.001 0.000 0.288 1175 N C -2.657 172.911 175.510 0.096 0.000 1.624 1175 N CA -1.144 51.968 53.050 0.104 0.000 0.961 1175 N CB 1.154 39.718 38.487 0.129 0.000 1.259 1175 N HN 0.520 nan 8.380 nan 0.000 0.489 1176 P HA 0.045 nan 4.420 nan 0.000 0.271 1176 P C 0.369 177.531 177.300 -0.231 0.000 1.216 1176 P CA 0.082 63.124 63.100 -0.095 0.000 0.776 1176 P CB 0.861 32.538 31.700 -0.038 0.000 0.881 1177 T N -1.711 112.625 114.554 -0.363 0.000 2.881 1177 T HA 0.206 4.555 4.350 -0.001 0.000 0.278 1177 T C 1.460 175.940 174.700 -0.367 0.000 0.982 1177 T CA -0.756 61.057 62.100 -0.479 0.000 0.989 1177 T CB 0.290 68.817 68.868 -0.569 0.000 1.058 1177 T HN 0.052 nan 8.240 nan 0.000 0.529 1178 V N 1.025 120.725 119.914 -0.356 0.000 2.332 1178 V HA -0.142 3.977 4.120 -0.001 0.000 0.248 1178 V C 2.851 178.664 176.094 -0.469 0.000 1.055 1178 V CA 2.178 64.234 62.300 -0.406 0.000 1.038 1178 V CB -0.923 30.597 31.823 -0.505 0.000 0.651 1178 V HN 0.991 nan 8.190 nan 0.000 0.450 1179 K N -0.105 120.035 120.400 -0.433 0.000 2.026 1179 K HA -0.232 4.087 4.320 -0.001 0.000 0.208 1179 K C 1.885 178.391 176.600 -0.157 0.000 1.048 1179 K CA 1.940 58.040 56.287 -0.312 0.000 0.929 1179 K CB -0.245 32.084 32.500 -0.286 0.000 0.713 1179 K HN 0.454 nan 8.250 nan 0.000 0.439 1180 D N 0.948 121.179 120.400 -0.282 0.000 2.104 1180 D HA -0.191 4.448 4.640 -0.001 0.000 0.194 1180 D C 2.012 177.924 176.300 -0.647 0.000 0.994 1180 D CA 1.196 54.916 54.000 -0.466 0.000 0.830 1180 D CB -0.226 40.276 40.800 -0.498 0.000 0.959 1180 D HN 0.248 nan 8.370 nan 0.000 0.452 1181 L N 0.403 121.402 121.223 -0.374 0.000 2.056 1181 L HA -0.089 4.251 4.340 -0.001 0.000 0.207 1181 L C 2.584 179.416 176.870 -0.063 0.000 1.078 1181 L CA 0.640 55.378 54.840 -0.171 0.000 0.749 1181 L CB -0.283 41.727 42.059 -0.082 0.000 0.901 1181 L HN 0.014 nan 8.230 nan 0.000 0.433 1182 I N -0.149 120.381 120.570 -0.067 0.000 2.226 1182 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 1182 I C 2.659 178.822 176.117 0.077 0.000 1.100 1182 I CA 1.347 62.677 61.300 0.049 0.000 1.374 1182 I CB -0.993 37.054 38.000 0.079 0.000 1.057 1182 I HN 0.292 nan 8.210 nan 0.000 0.413 1183 G N 0.956 109.786 108.800 0.050 0.000 2.476 1183 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 1183 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 1183 G C 1.666 176.523 174.900 -0.072 0.000 1.164 1183 G CA 0.646 45.596 45.100 -0.251 0.000 0.768 1183 G HN 0.308 nan 8.290 nan 0.000 0.560 1184 F N 1.248 121.184 119.950 -0.023 0.000 2.095 1184 F HA -0.093 4.434 4.527 -0.001 0.000 0.298 1184 F C 3.050 178.870 175.800 0.034 0.000 1.104 1184 F CA 0.395 58.391 58.000 -0.007 0.000 1.232 1184 F CB -0.287 38.719 39.000 0.011 0.000 0.987 1184 F HN 0.263 nan 8.300 nan 0.000 0.475 1185 G N 0.281 109.231 108.800 0.250 0.000 2.440 1185 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.218 1185 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.218 1185 G C 1.477 176.568 174.900 0.318 0.000 1.154 1185 G CA 0.864 46.111 45.100 0.244 0.000 0.767 1185 G HN 0.236 nan 8.290 nan 0.000 0.552 1186 L N 0.562 121.879 121.223 0.156 0.000 2.017 1186 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 1186 L C 2.924 179.824 176.870 0.050 0.000 1.073 1186 L CA 2.042 56.922 54.840 0.067 0.000 0.745 1186 L CB -0.827 41.147 42.059 -0.141 0.000 0.894 1186 L HN 0.351 nan 8.230 nan 0.000 0.432 1187 Q N -1.202 118.625 119.800 0.045 0.000 2.096 1187 Q HA -0.205 4.134 4.340 -0.001 0.000 0.204 1187 Q C 2.180 178.220 176.000 0.067 0.000 0.982 1187 Q CA 1.988 57.823 55.803 0.054 0.000 0.850 1187 Q CB -0.395 28.388 28.738 0.074 0.000 0.901 1187 Q HN 0.473 nan 8.270 nan 0.000 0.422 1188 V N 0.961 120.952 119.914 0.129 0.000 2.343 1188 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 1188 V C 2.273 178.357 176.094 -0.017 0.000 1.051 1188 V CA 1.798 64.174 62.300 0.128 0.000 1.036 1188 V CB -0.949 31.055 31.823 0.303 0.000 0.654 1188 V HN 0.406 nan 8.190 nan 0.000 0.451 1189 A N -0.360 122.455 122.820 -0.008 0.000 1.933 1189 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 1189 A C 2.295 179.742 177.584 -0.227 0.000 1.175 1189 A CA 1.912 53.767 52.037 -0.303 0.000 0.628 1189 A CB -0.395 18.492 19.000 -0.187 0.000 0.814 1189 A HN 0.548 nan 8.150 nan 0.000 0.444 1190 K N -0.772 119.570 120.400 -0.097 0.000 2.057 1190 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 1190 K C 2.168 178.635 176.600 -0.220 0.000 1.050 1190 K CA 0.996 57.247 56.287 -0.060 0.000 0.935 1190 K CB -0.455 32.093 32.500 0.080 0.000 0.715 1190 K HN 0.457 nan 8.250 nan 0.000 0.439 1191 G N 1.371 110.053 108.800 -0.198 0.000 2.446 1191 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.217 1191 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.217 1191 G C 1.454 176.135 174.900 -0.364 0.000 1.168 1191 G CA 0.794 45.719 45.100 -0.292 0.000 0.771 1191 G HN 0.071 nan 8.290 nan 0.000 0.551 1192 M N 0.465 119.763 119.600 -0.503 0.000 2.200 1192 M HA 0.074 4.553 4.480 -0.001 0.000 0.265 1192 M C 2.291 178.181 176.300 -0.684 0.000 1.066 1192 M CA 1.034 55.835 55.300 -0.831 0.000 1.127 1192 M CB -0.899 30.626 32.600 -1.791 0.000 1.379 1192 M HN 0.319 nan 8.290 nan 0.000 0.420 1193 K N -0.065 120.070 120.400 -0.442 0.000 2.032 1193 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 1193 K C 2.052 178.544 176.600 -0.180 0.000 1.048 1193 K CA 1.537 57.733 56.287 -0.153 0.000 0.927 1193 K CB -0.351 32.112 32.500 -0.062 0.000 0.712 1193 K HN 0.157 nan 8.250 nan 0.000 0.441 1194 F N 1.797 121.496 119.950 -0.418 0.000 2.069 1194 F HA -0.224 4.302 4.527 -0.001 0.000 0.298 1194 F C 1.833 177.402 175.800 -0.384 0.000 1.113 1194 F CA 1.594 59.331 58.000 -0.439 0.000 1.214 1194 F CB -0.312 38.242 39.000 -0.743 0.000 0.978 1194 F HN -0.016 nan 8.300 nan 0.000 0.474 1195 L N -0.007 121.018 121.223 -0.329 0.000 2.042 1195 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 1195 L C 2.827 179.541 176.870 -0.259 0.000 1.076 1195 L CA 1.268 55.904 54.840 -0.340 0.000 0.749 1195 L CB -1.300 40.696 42.059 -0.105 0.000 0.893 1195 L HN 0.306 nan 8.230 nan 0.000 0.432 1196 A N 0.187 122.901 122.820 -0.177 0.000 1.908 1196 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 1196 A C 2.515 180.017 177.584 -0.137 0.000 1.181 1196 A CA 2.061 54.060 52.037 -0.063 0.000 0.627 1196 A CB -0.783 18.267 19.000 0.083 0.000 0.818 1196 A HN 0.543 nan 8.150 nan 0.000 0.445 1197 S N -0.493 115.060 115.700 -0.245 0.000 2.440 1197 S HA -0.119 4.351 4.470 -0.001 0.000 0.238 1197 S C 1.403 175.805 174.600 -0.330 0.000 1.010 1197 S CA 1.395 59.433 58.200 -0.269 0.000 0.972 1197 S CB -0.222 62.799 63.200 -0.298 0.000 0.774 1197 S HN 0.468 nan 8.310 nan 0.000 0.501 1198 K N 0.851 120.973 120.400 -0.464 0.000 2.437 1198 K HA 0.181 4.500 4.320 -0.001 0.000 0.198 1198 K C -0.036 176.492 176.600 -0.120 0.000 1.024 1198 K CA -0.051 55.988 56.287 -0.414 0.000 1.148 1198 K CB 0.113 32.091 32.500 -0.870 0.000 0.860 1198 K HN 0.265 nan 8.250 nan 0.000 0.515 1199 K N 0.127 120.484 120.400 -0.073 0.000 3.088 1199 K HA -0.221 4.098 4.320 -0.001 0.000 0.273 1199 K C -0.219 176.441 176.600 0.100 0.000 1.111 1199 K CA 0.592 56.889 56.287 0.017 0.000 0.803 1199 K CB -2.526 29.990 32.500 0.026 0.000 1.226 1199 K HN 0.210 nan 8.250 nan 0.000 0.485 1200 F N 0.899 120.827 119.950 -0.036 0.000 2.405 1200 F HA 0.329 4.855 4.527 -0.001 0.000 0.355 1200 F C 0.290 176.113 175.800 0.039 0.000 1.121 1200 F CA -0.951 57.079 58.000 0.050 0.000 1.112 1200 F CB 1.012 40.102 39.000 0.150 0.000 1.126 1200 F HN -0.144 nan 8.300 nan 0.000 0.481 1201 V N 7.366 126.935 119.914 -0.576 0.000 2.364 1201 V HA 0.063 4.182 4.120 -0.001 0.000 0.272 1201 V C 1.203 176.899 176.094 -0.664 0.000 1.036 1201 V CA -0.366 61.706 62.300 -0.380 0.000 0.880 1201 V CB 0.807 32.530 31.823 -0.166 0.000 0.991 1201 V HN 0.857 nan 8.190 nan 0.000 0.460 1202 H N 5.615 124.487 119.070 -0.330 0.000 2.326 1202 H HA -0.047 4.508 4.556 -0.001 0.000 0.301 1202 H C 1.640 176.885 175.328 -0.138 0.000 1.081 1202 H CA 2.149 58.108 56.048 -0.150 0.000 1.334 1202 H CB 0.372 30.176 29.762 0.069 0.000 1.385 1202 H HN 0.747 nan 8.280 nan 0.000 0.504 1203 R N -1.071 119.485 120.500 0.095 0.000 3.746 1203 R HA -0.180 4.160 4.340 -0.001 0.000 0.465 1203 R C -0.265 176.058 176.300 0.039 0.000 0.725 1203 R CA 1.384 57.419 56.100 -0.109 0.000 1.545 1203 R CB -1.478 28.478 30.300 -0.573 0.000 2.197 1203 R HN 0.320 nan 8.270 nan 0.000 0.438 1204 D N 0.333 120.928 120.400 0.326 0.000 2.992 1204 D HA 0.160 4.799 4.640 -0.001 0.000 0.372 1204 D C -1.107 175.263 176.300 0.116 0.000 1.374 1204 D CA -0.421 53.700 54.000 0.202 0.000 0.769 1204 D CB 0.328 41.199 40.800 0.119 0.000 1.215 1204 D HN 0.026 nan 8.370 nan 0.000 0.473 1205 L N 1.640 122.858 121.223 -0.007 0.000 2.418 1205 L HA 0.625 4.964 4.340 -0.001 0.000 0.274 1205 L C -0.490 176.352 176.870 -0.047 0.000 1.135 1205 L CA 0.272 54.996 54.840 -0.193 0.000 0.870 1205 L CB 0.444 42.463 42.059 -0.067 0.000 1.154 1205 L HN 0.208 nan 8.230 nan 0.000 0.462 1206 A N 3.918 126.667 122.820 -0.118 0.000 2.608 1206 A HA 0.691 5.011 4.320 -0.001 0.000 0.292 1206 A C 0.502 178.079 177.584 -0.013 0.000 1.066 1206 A CA -0.156 51.778 52.037 -0.171 0.000 0.676 1206 A CB 0.486 19.003 19.000 -0.805 0.000 1.277 1206 A HN 1.030 nan 8.150 nan 0.000 0.413 1207 A N 0.845 123.737 122.820 0.120 0.000 1.940 1207 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 1207 A C 1.965 179.571 177.584 0.038 0.000 1.176 1207 A CA 2.134 54.235 52.037 0.106 0.000 0.631 1207 A CB -0.641 18.465 19.000 0.176 0.000 0.814 1207 A HN 1.131 nan 8.150 nan 0.000 0.446 1208 R N -0.902 119.596 120.500 -0.002 0.000 2.193 1208 R HA -0.040 4.299 4.340 -0.001 0.000 0.229 1208 R C 0.551 176.832 176.300 -0.031 0.000 1.110 1208 R CA 1.590 57.676 56.100 -0.022 0.000 0.988 1208 R CB -0.435 29.827 30.300 -0.063 0.000 0.871 1208 R HN 0.353 nan 8.270 nan 0.000 0.458 1209 N N -0.068 118.609 118.700 -0.038 0.000 2.230 1209 N HA 0.110 4.850 4.740 -0.001 0.000 0.202 1209 N C -0.722 174.808 175.510 0.034 0.000 1.119 1209 N CA -0.007 53.046 53.050 0.005 0.000 0.851 1209 N CB 0.509 39.011 38.487 0.024 0.000 0.990 1209 N HN 0.163 nan 8.380 nan 0.000 0.497 1210 C N 1.004 120.306 119.300 0.004 0.000 2.454 1210 C HA 0.624 5.083 4.460 -0.001 0.000 0.336 1210 C C 0.129 175.090 174.990 -0.048 0.000 1.189 1210 C CA -0.832 58.182 59.018 -0.006 0.000 1.877 1210 C CB 1.351 29.082 27.740 -0.015 0.000 2.348 1210 C HN 0.167 nan 8.230 nan 0.000 0.508 1211 M N 2.017 121.573 119.600 -0.072 0.000 2.644 1211 M HA 0.616 5.095 4.480 -0.001 0.000 0.304 1211 M C -1.267 174.930 176.300 -0.173 0.000 1.215 1211 M CA -0.572 54.658 55.300 -0.116 0.000 0.871 1211 M CB 1.555 34.089 32.600 -0.111 0.000 1.740 1211 M HN 0.383 nan 8.290 nan 0.000 0.464 1212 L N 2.001 123.095 121.223 -0.215 0.000 2.356 1212 L HA 0.379 4.718 4.340 -0.001 0.000 0.277 1212 L C -0.019 176.729 176.870 -0.204 0.000 0.996 1212 L CA -0.362 54.319 54.840 -0.265 0.000 0.822 1212 L CB 1.548 43.334 42.059 -0.455 0.000 1.256 1212 L HN 0.676 nan 8.230 nan 0.000 0.413 1213 D N 1.664 121.952 120.400 -0.186 0.000 2.478 1213 D HA 0.048 4.687 4.640 -0.001 0.000 0.269 1213 D C 0.900 177.088 176.300 -0.188 0.000 1.232 1213 D CA -0.386 53.511 54.000 -0.171 0.000 1.059 1213 D CB 0.446 41.167 40.800 -0.132 0.000 1.104 1213 D HN 0.614 nan 8.370 nan 0.000 0.566 1214 E N 0.031 120.131 120.200 -0.167 0.000 2.265 1214 E HA -0.226 4.123 4.350 -0.001 0.000 0.196 1214 E C 0.757 177.122 176.600 -0.391 0.000 0.996 1214 E CA 0.956 57.232 56.400 -0.207 0.000 0.832 1214 E CB -0.294 29.349 29.700 -0.095 0.000 0.756 1214 E HN 0.492 nan 8.360 nan 0.000 0.491 1215 K N -0.083 120.158 120.400 -0.265 0.000 2.417 1215 K HA 0.134 4.453 4.320 -0.001 0.000 0.196 1215 K C -0.476 176.101 176.600 -0.037 0.000 1.023 1215 K CA -0.075 56.129 56.287 -0.138 0.000 1.122 1215 K CB -0.252 32.228 32.500 -0.033 0.000 0.850 1215 K HN 0.016 nan 8.250 nan 0.000 0.521 1216 F N 0.110 120.031 119.950 -0.048 0.000 3.093 1216 F HA -0.265 4.261 4.527 -0.001 0.000 0.287 1216 F C -0.187 175.577 175.800 -0.060 0.000 0.882 1216 F CA 0.304 58.232 58.000 -0.120 0.000 1.063 1216 F CB -2.583 36.380 39.000 -0.062 0.000 1.097 1216 F HN -0.090 nan 8.300 nan 0.000 0.604 1217 T N 1.222 115.780 114.554 0.007 0.000 2.749 1217 T HA 0.488 4.837 4.350 -0.001 0.000 0.295 1217 T C 0.487 175.147 174.700 -0.066 0.000 0.936 1217 T CA -0.498 61.600 62.100 -0.005 0.000 1.060 1217 T CB 1.369 70.220 68.868 -0.029 0.000 0.904 1217 T HN 0.042 nan 8.240 nan 0.000 0.500 1218 V N 5.777 125.661 119.914 -0.050 0.000 2.555 1218 V HA 0.241 4.361 4.120 -0.001 0.000 0.286 1218 V C 0.379 176.448 176.094 -0.042 0.000 1.044 1218 V CA -0.320 61.922 62.300 -0.095 0.000 1.026 1218 V CB 0.464 32.242 31.823 -0.077 0.000 0.981 1218 V HN 0.665 nan 8.190 nan 0.000 0.480 1219 K N 4.148 124.520 120.400 -0.046 0.000 2.358 1219 K HA 0.455 4.774 4.320 -0.001 0.000 0.260 1219 K C -0.821 175.803 176.600 0.039 0.000 0.956 1219 K CA -0.751 55.539 56.287 0.005 0.000 0.834 1219 K CB 2.027 34.527 32.500 -0.002 0.000 1.102 1219 K HN 0.397 nan 8.250 nan 0.000 0.431 1220 V N 2.720 122.674 119.914 0.068 0.000 2.493 1220 V HA 0.150 4.269 4.120 -0.001 0.000 0.292 1220 V C 0.728 177.002 176.094 0.299 0.000 1.016 1220 V CA 0.293 62.661 62.300 0.113 0.000 1.097 1220 V CB 0.336 32.180 31.823 0.034 0.000 0.947 1220 V HN 0.946 nan 8.190 nan 0.000 0.479 1221 A N 3.683 126.700 122.820 0.328 0.000 3.042 1221 A HA 0.697 5.016 4.320 -0.001 0.000 0.229 1221 A C 0.422 178.278 177.584 0.454 0.000 1.185 1221 A CA 0.082 52.329 52.037 0.350 0.000 0.844 1221 A CB 0.226 19.293 19.000 0.113 0.000 1.403 1221 A HN 0.941 nan 8.150 nan 0.000 0.555 1222 D N -1.947 118.558 120.400 0.175 0.000 2.689 1222 D HA -0.147 4.492 4.640 -0.001 0.000 0.237 1222 D C -0.395 176.007 176.300 0.170 0.000 1.148 1222 D CA 1.677 55.758 54.000 0.134 0.000 0.656 1222 D CB -1.721 39.178 40.800 0.166 0.000 1.050 1222 D HN 1.232 nan 8.370 nan 0.000 0.426 1223 F N -2.632 117.293 119.950 -0.041 0.000 2.662 1223 F HA 0.722 5.249 4.527 -0.001 0.000 0.312 1223 F C 1.236 176.971 175.800 -0.108 0.000 1.113 1223 F CA -0.057 57.884 58.000 -0.100 0.000 0.951 1223 F CB 0.927 39.867 39.000 -0.101 0.000 1.344 1223 F HN 0.202 nan 8.300 nan 0.000 0.462 1224 G N 1.258 110.010 108.800 -0.081 0.000 2.634 1224 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.309 1224 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.309 1224 G C 0.498 175.249 174.900 -0.249 0.000 1.265 1224 G CA 0.506 45.456 45.100 -0.250 0.000 0.998 1224 G HN 1.031 nan 8.290 nan 0.000 0.551 1225 L N 1.369 122.407 121.223 -0.308 0.000 2.478 1225 L HA 0.251 4.590 4.340 -0.001 0.000 0.223 1225 L C 3.022 179.783 176.870 -0.182 0.000 1.140 1225 L CA 1.149 55.872 54.840 -0.195 0.000 0.842 1225 L CB -0.383 41.552 42.059 -0.206 0.000 0.953 1225 L HN 0.682 nan 8.230 nan 0.000 0.452 1226 A N -0.417 122.225 122.820 -0.295 0.000 2.251 1226 A HA 0.031 4.350 4.320 -0.001 0.000 0.209 1226 A C 1.305 178.793 177.584 -0.159 0.000 1.187 1226 A CA -0.151 51.742 52.037 -0.240 0.000 0.823 1226 A CB -0.207 18.590 19.000 -0.337 0.000 0.846 1226 A HN 0.198 nan 8.150 nan 0.000 0.486 1246 P HA 0.077 nan 4.420 nan 0.000 0.220 1246 P C 0.935 178.440 177.300 0.342 0.000 1.806 1246 P CA -0.267 62.964 63.100 0.218 0.000 0.976 1246 P CB 0.358 32.131 31.700 0.122 0.000 1.952 1247 V N -0.087 119.967 119.914 0.234 0.000 2.568 1247 V HA -0.215 3.905 4.120 -0.001 0.000 0.253 1247 V C 1.791 177.964 176.094 0.131 0.000 1.072 1247 V CA 1.323 63.707 62.300 0.141 0.000 1.084 1247 V CB -1.177 30.671 31.823 0.041 0.000 0.676 1247 V HN 0.131 nan 8.190 nan 0.000 0.469 1248 K N -1.050 119.482 120.400 0.221 0.000 2.486 1248 K HA 0.045 4.364 4.320 -0.001 0.000 0.194 1248 K C 1.565 178.187 176.600 0.036 0.000 1.033 1248 K CA 1.006 57.329 56.287 0.059 0.000 1.004 1248 K CB -0.092 32.374 32.500 -0.056 0.000 0.798 1248 K HN 0.670 nan 8.250 nan 0.000 0.495 1249 W N 0.253 121.672 121.300 0.199 0.000 3.127 1249 W HA 0.261 4.920 4.660 -0.001 0.000 0.344 1249 W C 0.123 176.820 176.519 0.296 0.000 1.151 1249 W CA -0.453 57.065 57.345 0.289 0.000 1.765 1249 W CB 0.297 29.906 29.460 0.248 0.000 1.085 1249 W HN -0.015 nan 8.180 nan 0.000 0.596 1250 M N 0.562 120.324 119.600 0.271 0.000 2.277 1250 M HA 0.388 4.867 4.480 -0.001 0.000 0.350 1250 M C 0.639 176.552 176.300 -0.645 0.000 1.180 1250 M CA -0.238 55.059 55.300 -0.005 0.000 1.103 1250 M CB 1.349 33.957 32.600 0.012 0.000 1.577 1250 M HN -0.251 nan 8.290 nan 0.000 0.459 1251 A N 2.977 125.306 122.820 -0.817 0.000 2.466 1251 A HA 0.173 4.492 4.320 -0.001 0.000 0.238 1251 A C 1.082 178.062 177.584 -1.008 0.000 1.074 1251 A CA -0.290 50.884 52.037 -1.438 0.000 0.774 1251 A CB 0.161 18.860 19.000 -0.501 0.000 1.015 1251 A HN 1.072 nan 8.150 nan 0.000 0.498 1252 L N 0.579 121.138 121.223 -1.106 0.000 1.997 1252 L HA -0.240 4.099 4.340 -0.001 0.000 0.216 1252 L C 2.892 179.560 176.870 -0.338 0.000 1.074 1252 L CA 2.178 56.696 54.840 -0.537 0.000 0.763 1252 L CB -0.356 41.514 42.059 -0.315 0.000 0.890 1252 L HN 1.015 nan 8.230 nan 0.000 0.434 1253 E N -0.715 119.316 120.200 -0.280 0.000 2.153 1253 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 1253 E C 1.957 178.398 176.600 -0.264 0.000 0.988 1253 E CA 1.704 57.981 56.400 -0.205 0.000 0.811 1253 E CB -0.355 29.266 29.700 -0.132 0.000 0.746 1253 E HN 0.406 nan 8.360 nan 0.000 0.466 1254 S N 1.202 116.682 115.700 -0.367 0.000 2.371 1254 S HA 0.037 4.506 4.470 -0.001 0.000 0.224 1254 S C 2.147 176.507 174.600 -0.400 0.000 1.029 1254 S CA 0.810 58.697 58.200 -0.522 0.000 0.978 1254 S CB -0.258 62.506 63.200 -0.727 0.000 0.833 1254 S HN 0.210 nan 8.310 nan 0.000 0.466 1255 L N 1.160 122.196 121.223 -0.313 0.000 2.131 1255 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 1255 L C 2.548 179.320 176.870 -0.164 0.000 1.092 1255 L CA 1.222 55.936 54.840 -0.211 0.000 0.759 1255 L CB -0.434 41.499 42.059 -0.211 0.000 0.903 1255 L HN 0.372 nan 8.230 nan 0.000 0.435 1256 Q N -1.304 118.392 119.800 -0.173 0.000 2.250 1256 Q HA -0.070 4.269 4.340 -0.001 0.000 0.200 1256 Q C 2.004 177.935 176.000 -0.114 0.000 0.941 1256 Q CA 1.652 57.379 55.803 -0.126 0.000 0.872 1256 Q CB 0.231 28.900 28.738 -0.115 0.000 0.965 1256 Q HN 0.562 nan 8.270 nan 0.000 0.480 1257 T N -4.071 110.395 114.554 -0.147 0.000 2.975 1257 T HA 0.138 4.487 4.350 -0.001 0.000 0.257 1257 T C 0.499 175.120 174.700 -0.131 0.000 1.003 1257 T CA -0.048 61.979 62.100 -0.122 0.000 0.932 1257 T CB 0.429 69.228 68.868 -0.115 0.000 1.087 1257 T HN 0.114 nan 8.240 nan 0.000 0.512 1258 Q N 0.005 119.684 119.800 -0.203 0.000 2.481 1258 Q HA -0.128 4.211 4.340 -0.001 0.000 0.258 1258 Q C 0.159 176.030 176.000 -0.214 0.000 0.961 1258 Q CA 1.370 57.058 55.803 -0.192 0.000 1.121 1258 Q CB -2.306 26.421 28.738 -0.018 0.000 1.503 1258 Q HN 0.914 nan 8.270 nan 0.000 0.544 1259 K N 0.328 120.537 120.400 -0.319 0.000 2.138 1259 K HA 0.746 5.065 4.320 -0.001 0.000 0.263 1259 K C -0.724 175.630 176.600 -0.412 0.000 0.965 1259 K CA -0.141 56.029 56.287 -0.194 0.000 0.868 1259 K CB 0.831 33.275 32.500 -0.093 0.000 1.083 1259 K HN 0.147 nan 8.250 nan 0.000 0.443 1260 F N 0.859 120.801 119.950 -0.013 0.000 2.495 1260 F HA 0.648 5.174 4.527 -0.001 0.000 0.327 1260 F C 0.976 176.775 175.800 -0.002 0.000 1.103 1260 F CA -0.385 57.614 58.000 -0.002 0.000 0.949 1260 F CB 2.959 41.958 39.000 -0.002 0.000 1.142 1260 F HN 0.734 nan 8.300 nan 0.000 0.457 1261 T N -2.696 111.962 114.554 0.175 0.000 2.831 1261 T HA 0.302 4.652 4.350 -0.001 0.000 0.287 1261 T C 0.683 175.469 174.700 0.143 0.000 1.070 1261 T CA -0.575 61.594 62.100 0.115 0.000 1.010 1261 T CB 1.405 70.312 68.868 0.065 0.000 1.264 1261 T HN 0.416 nan 8.240 nan 0.000 0.532 1262 T N 0.925 115.549 114.554 0.116 0.000 2.759 1262 T HA -0.067 4.282 4.350 -0.001 0.000 0.269 1262 T C 1.774 176.562 174.700 0.146 0.000 1.042 1262 T CA 1.067 63.267 62.100 0.167 0.000 1.140 1262 T CB -0.289 68.661 68.868 0.138 0.000 0.864 1262 T HN 0.476 nan 8.240 nan 0.000 0.455 1263 K N 1.609 122.060 120.400 0.085 0.000 2.211 1263 K HA 0.017 4.336 4.320 -0.001 0.000 0.203 1263 K C 2.641 179.339 176.600 0.163 0.000 1.050 1263 K CA 1.158 57.486 56.287 0.067 0.000 0.945 1263 K CB -0.500 32.026 32.500 0.044 0.000 0.732 1263 K HN 0.562 nan 8.250 nan 0.000 0.451 1264 S N 0.698 116.509 115.700 0.185 0.000 2.436 1264 S HA -0.061 4.408 4.470 -0.001 0.000 0.228 1264 S C 1.428 176.251 174.600 0.371 0.000 1.014 1264 S CA 0.623 58.970 58.200 0.245 0.000 0.950 1264 S CB -0.022 63.257 63.200 0.131 0.000 0.784 1264 S HN 0.085 nan 8.310 nan 0.000 0.504 1265 D N 1.947 122.566 120.400 0.364 0.000 2.144 1265 D HA -0.037 4.602 4.640 -0.001 0.000 0.199 1265 D C 2.061 178.697 176.300 0.561 0.000 0.984 1265 D CA 0.877 55.158 54.000 0.470 0.000 0.834 1265 D CB -0.517 40.580 40.800 0.495 0.000 0.955 1265 D HN 0.306 nan 8.370 nan 0.000 0.465 1266 V N 0.815 120.901 119.914 0.287 0.000 2.332 1266 V HA -0.216 3.903 4.120 -0.001 0.000 0.248 1266 V C 2.187 178.486 176.094 0.342 0.000 1.055 1266 V CA 1.333 63.661 62.300 0.046 0.000 1.038 1266 V CB -0.477 31.172 31.823 -0.291 0.000 0.651 1266 V HN 0.389 nan 8.190 nan 0.000 0.450 1267 W N 1.241 122.693 121.300 0.253 0.000 2.317 1267 W HA -0.243 4.417 4.660 -0.001 0.000 0.318 1267 W C 2.605 179.425 176.519 0.502 0.000 1.227 1267 W CA 2.402 59.993 57.345 0.409 0.000 1.269 1267 W CB -0.709 28.957 29.460 0.343 0.000 1.155 1267 W HN 0.339 nan 8.180 nan 0.000 0.484 1268 S N 0.478 116.664 115.700 0.810 0.000 2.383 1268 S HA -0.248 4.221 4.470 -0.001 0.000 0.229 1268 S C 1.609 176.593 174.600 0.641 0.000 1.030 1268 S CA 1.653 60.298 58.200 0.743 0.000 1.002 1268 S CB -1.115 62.456 63.200 0.619 0.000 0.829 1268 S HN 0.363 nan 8.310 nan 0.000 0.467 1269 F N 2.562 122.779 119.950 0.445 0.000 2.134 1269 F HA -0.064 4.462 4.527 -0.001 0.000 0.299 1269 F C 2.330 178.289 175.800 0.265 0.000 1.097 1269 F CA 1.290 59.508 58.000 0.363 0.000 1.264 1269 F CB -0.890 38.384 39.000 0.456 0.000 1.001 1269 F HN 0.240 nan 8.300 nan 0.000 0.479 1270 G N 0.246 109.119 108.800 0.121 0.000 2.513 1270 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.219 1270 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.219 1270 G C 1.661 176.703 174.900 0.236 0.000 1.160 1270 G CA 1.552 46.541 45.100 -0.185 0.000 0.767 1270 G HN 0.359 nan 8.290 nan 0.000 0.571 1271 V N 0.862 121.090 119.914 0.523 0.000 2.343 1271 V HA -0.120 3.999 4.120 -0.001 0.000 0.247 1271 V C 2.689 178.974 176.094 0.319 0.000 1.051 1271 V CA 1.618 64.121 62.300 0.338 0.000 1.036 1271 V CB -0.546 31.266 31.823 -0.018 0.000 0.654 1271 V HN 0.396 nan 8.190 nan 0.000 0.451 1272 L N -0.561 120.859 121.223 0.328 0.000 2.042 1272 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 1272 L C 2.345 179.264 176.870 0.080 0.000 1.076 1272 L CA 1.709 56.704 54.840 0.258 0.000 0.749 1272 L CB -0.202 41.976 42.059 0.198 0.000 0.893 1272 L HN 0.243 nan 8.230 nan 0.000 0.432 1273 L N -1.709 119.433 121.223 -0.135 0.000 2.046 1273 L HA -0.269 4.070 4.340 -0.001 0.000 0.208 1273 L C 2.353 179.272 176.870 0.081 0.000 1.077 1273 L CA 1.830 56.593 54.840 -0.128 0.000 0.747 1273 L CB -0.724 41.166 42.059 -0.282 0.000 0.896 1273 L HN 0.507 nan 8.230 nan 0.000 0.432 1274 W N 1.401 122.714 121.300 0.022 0.000 2.338 1274 W HA -0.213 4.447 4.660 -0.001 0.000 0.304 1274 W C 2.460 179.003 176.519 0.040 0.000 1.212 1274 W CA 1.787 59.175 57.345 0.072 0.000 1.264 1274 W CB 0.006 29.537 29.460 0.119 0.000 1.142 1274 W HN 0.099 nan 8.180 nan 0.000 0.512 1275 E N 0.120 120.527 120.200 0.346 0.000 2.058 1275 E HA -0.282 4.068 4.350 -0.001 0.000 0.194 1275 E C 2.202 178.838 176.600 0.061 0.000 0.997 1275 E CA 1.802 58.333 56.400 0.218 0.000 0.801 1275 E CB -0.738 29.166 29.700 0.340 0.000 0.746 1275 E HN 0.353 nan 8.360 nan 0.000 0.450 1276 L N 0.269 121.542 121.223 0.082 0.000 1.989 1276 L HA -0.235 4.105 4.340 -0.001 0.000 0.211 1276 L C 2.485 179.353 176.870 -0.004 0.000 1.071 1276 L CA 0.954 55.838 54.840 0.074 0.000 0.749 1276 L CB -0.290 41.828 42.059 0.098 0.000 0.890 1276 L HN 0.248 nan 8.230 nan 0.000 0.431 1277 M N -0.870 118.685 119.600 -0.075 0.000 2.476 1277 M HA -0.064 4.416 4.480 -0.001 0.000 0.262 1277 M C 2.175 178.381 176.300 -0.158 0.000 1.079 1277 M CA 1.490 56.725 55.300 -0.109 0.000 1.104 1277 M CB -1.535 31.002 32.600 -0.105 0.000 1.409 1277 M HN 0.387 nan 8.290 nan 0.000 0.467 1278 T N -2.936 111.442 114.554 -0.294 0.000 3.107 1278 T HA 0.186 4.535 4.350 -0.001 0.000 0.249 1278 T C 0.739 175.393 174.700 -0.077 0.000 1.096 1278 T CA -0.273 61.672 62.100 -0.259 0.000 1.012 1278 T CB -0.195 68.272 68.868 -0.669 0.000 0.977 1278 T HN 0.445 nan 8.240 nan 0.000 0.527 1279 R N 0.652 121.127 120.500 -0.041 0.000 3.333 1279 R HA -0.148 4.191 4.340 -0.001 0.000 0.256 1279 R C 1.005 177.335 176.300 0.050 0.000 1.010 1279 R CA 0.376 56.492 56.100 0.026 0.000 0.680 1279 R CB -2.312 28.001 30.300 0.021 0.000 1.102 1279 R HN 0.926 nan 8.270 nan 0.000 0.440 1280 G N -1.874 106.955 108.800 0.049 0.000 2.130 1280 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.216 1280 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.216 1280 G C 0.226 175.182 174.900 0.093 0.000 0.999 1280 G CA 0.069 45.230 45.100 0.101 0.000 0.686 1280 G HN 0.858 nan 8.290 nan 0.000 0.515 1281 A N 0.798 123.623 122.820 0.008 0.000 2.462 1281 A HA 0.656 4.976 4.320 -0.001 0.000 0.243 1281 A C -1.103 176.562 177.584 0.136 0.000 1.076 1281 A CA -0.557 51.463 52.037 -0.029 0.000 0.773 1281 A CB 0.264 19.015 19.000 -0.415 0.000 1.010 1281 A HN 0.301 nan 8.150 nan 0.000 0.493 1282 P HA 0.248 nan 4.420 nan 0.000 0.271 1282 P C -2.723 174.565 177.300 -0.020 0.000 1.220 1282 P CA -1.084 62.082 63.100 0.110 0.000 0.768 1282 P CB 0.064 31.816 31.700 0.085 0.000 0.848 1283 P HA 0.083 nan 4.420 nan 0.000 0.271 1283 P C -0.667 176.281 177.300 -0.587 0.000 1.218 1283 P CA -0.024 62.537 63.100 -0.898 0.000 0.780 1283 P CB -0.132 30.863 31.700 -1.174 0.000 0.901 1284 Y N -0.258 119.691 120.300 -0.585 0.000 3.001 1284 Y HA -0.193 4.356 4.550 -0.001 0.000 0.199 1284 Y C -1.326 174.403 175.900 -0.286 0.000 1.320 1284 Y CA -0.415 57.420 58.100 -0.443 0.000 0.974 1284 Y CB -2.811 35.323 38.460 -0.543 0.000 1.291 1284 Y HN 0.468 nan 8.280 nan 0.000 0.465 1285 P HA -0.187 nan 4.420 nan 0.000 0.214 1285 P C 1.414 178.709 177.300 -0.009 0.000 1.169 1285 P CA 2.575 65.667 63.100 -0.014 0.000 0.908 1285 P CB 0.033 31.761 31.700 0.046 0.000 0.791 1286 D N -0.677 119.718 120.400 -0.008 0.000 2.323 1286 D HA 0.184 4.823 4.640 -0.001 0.000 0.239 1286 D C 0.374 176.632 176.300 -0.071 0.000 1.129 1286 D CA 0.171 54.163 54.000 -0.012 0.000 0.865 1286 D CB -0.626 40.188 40.800 0.023 0.000 0.913 1286 D HN 0.013 nan 8.370 nan 0.000 0.517 1287 V N 1.431 121.261 119.914 -0.139 0.000 2.398 1287 V HA 0.228 4.347 4.120 -0.001 0.000 0.286 1287 V C 0.310 176.308 176.094 -0.160 0.000 1.026 1287 V CA -1.426 60.728 62.300 -0.243 0.000 0.868 1287 V CB 1.449 32.930 31.823 -0.569 0.000 0.982 1287 V HN 0.454 nan 8.190 nan 0.000 0.443 1288 N N 3.003 121.629 118.700 -0.123 0.000 2.411 1288 N HA -0.025 4.714 4.740 -0.001 0.000 0.261 1288 N C 1.289 176.740 175.510 -0.097 0.000 1.248 1288 N CA 0.455 53.457 53.050 -0.079 0.000 0.885 1288 N CB 1.396 39.852 38.487 -0.053 0.000 1.062 1288 N HN 0.754 nan 8.380 nan 0.000 0.471 1289 T N 3.192 117.710 114.554 -0.059 0.000 2.624 1289 T HA -0.245 4.105 4.350 -0.001 0.000 0.268 1289 T C 1.828 176.495 174.700 -0.055 0.000 1.041 1289 T CA 2.403 64.475 62.100 -0.046 0.000 1.159 1289 T CB -0.666 68.205 68.868 0.005 0.000 0.863 1289 T HN 0.622 nan 8.240 nan 0.000 0.434 1290 F N 0.840 120.767 119.950 -0.039 0.000 2.333 1290 F HA 0.105 4.631 4.527 -0.001 0.000 0.300 1290 F C 2.280 178.050 175.800 -0.050 0.000 1.083 1290 F CA 1.631 59.610 58.000 -0.035 0.000 1.395 1290 F CB -1.404 37.584 39.000 -0.021 0.000 1.056 1290 F HN 0.560 nan 8.300 nan 0.000 0.529 1291 D N -0.855 119.505 120.400 -0.066 0.000 2.427 1291 D HA 0.412 5.051 4.640 -0.001 0.000 0.224 1291 D C 1.539 177.788 176.300 -0.085 0.000 1.157 1291 D CA 0.553 54.517 54.000 -0.060 0.000 0.828 1291 D CB -0.393 40.381 40.800 -0.043 0.000 0.974 1291 D HN 0.427 nan 8.370 nan 0.000 0.498 1292 I N -0.046 120.442 120.570 -0.136 0.000 2.406 1292 I HA -0.078 4.091 4.170 -0.001 0.000 0.249 1292 I C 2.534 178.574 176.117 -0.128 0.000 1.122 1292 I CA 1.648 62.822 61.300 -0.210 0.000 1.431 1292 I CB 0.043 37.854 38.000 -0.315 0.000 1.087 1292 I HN 0.184 nan 8.210 nan 0.000 0.424 1293 T N -0.372 114.118 114.554 -0.106 0.000 2.746 1293 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 1293 T C 2.033 176.700 174.700 -0.055 0.000 1.039 1293 T CA 1.756 63.800 62.100 -0.094 0.000 1.142 1293 T CB -0.559 68.253 68.868 -0.093 0.000 0.866 1293 T HN 0.303 nan 8.240 nan 0.000 0.444 1294 V N 0.418 120.313 119.914 -0.032 0.000 2.358 1294 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 1294 V C 2.007 178.101 176.094 0.000 0.000 1.047 1294 V CA 1.550 63.840 62.300 -0.017 0.000 1.035 1294 V CB -0.668 31.149 31.823 -0.010 0.000 0.658 1294 V HN 0.592 nan 8.190 nan 0.000 0.452 1295 Y N 0.592 120.823 120.300 -0.115 0.000 2.070 1295 Y HA -0.233 4.316 4.550 -0.001 0.000 0.280 1295 Y C 2.207 178.042 175.900 -0.108 0.000 1.148 1295 Y CA 2.542 60.570 58.100 -0.121 0.000 1.125 1295 Y CB -0.337 38.013 38.460 -0.184 0.000 0.975 1295 Y HN 0.270 nan 8.280 nan 0.000 0.492 1296 L N -0.354 120.865 121.223 -0.007 0.000 2.042 1296 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 1296 L C 2.386 179.216 176.870 -0.066 0.000 1.076 1296 L CA 1.299 56.114 54.840 -0.041 0.000 0.749 1296 L CB -0.645 41.421 42.059 0.011 0.000 0.893 1296 L HN 0.310 nan 8.230 nan 0.000 0.432 1297 L N -0.674 120.513 121.223 -0.060 0.000 2.456 1297 L HA -0.176 4.163 4.340 -0.001 0.000 0.224 1297 L C 2.289 179.116 176.870 -0.071 0.000 1.148 1297 L CA 0.635 55.443 54.840 -0.052 0.000 0.825 1297 L CB -0.323 41.710 42.059 -0.044 0.000 0.937 1297 L HN 0.378 nan 8.230 nan 0.000 0.450 1298 Q N 0.050 119.780 119.800 -0.117 0.000 2.436 1298 Q HA 0.012 4.351 4.340 -0.001 0.000 0.209 1298 Q C 1.022 176.948 176.000 -0.123 0.000 0.965 1298 Q CA 0.643 56.368 55.803 -0.129 0.000 0.910 1298 Q CB 0.222 28.852 28.738 -0.181 0.000 0.980 1298 Q HN 0.550 nan 8.270 nan 0.000 0.491 1299 G N 0.948 109.677 108.800 -0.117 0.000 2.392 1299 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.215 1299 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.215 1299 G C -0.612 174.227 174.900 -0.103 0.000 1.097 1299 G CA -0.566 44.485 45.100 -0.082 0.000 0.840 1299 G HN 0.110 nan 8.290 nan 0.000 0.492 1300 R N -0.555 119.858 120.500 -0.145 0.000 2.803 1300 R HA 0.877 5.217 4.340 -0.001 0.000 0.276 1300 R C -0.162 176.117 176.300 -0.035 0.000 0.978 1300 R CA -1.036 54.967 56.100 -0.162 0.000 0.939 1300 R CB 1.670 31.669 30.300 -0.502 0.000 1.179 1300 R HN 0.169 nan 8.270 nan 0.000 0.472 1301 R N 1.031 121.544 120.500 0.021 0.000 2.799 1301 R HA 0.384 4.723 4.340 -0.001 0.000 0.270 1301 R C -0.673 175.613 176.300 -0.024 0.000 1.010 1301 R CA -1.183 54.897 56.100 -0.034 0.000 0.916 1301 R CB 0.972 31.284 30.300 0.020 0.000 1.228 1301 R HN 0.440 nan 8.270 nan 0.000 0.469 1302 L N 2.218 123.217 121.223 -0.372 0.000 2.559 1302 L HA 0.026 4.365 4.340 -0.001 0.000 0.282 1302 L C 0.700 177.659 176.870 0.147 0.000 1.232 1302 L CA 0.335 54.901 54.840 -0.456 0.000 0.885 1302 L CB -0.058 41.264 42.059 -1.228 0.000 1.131 1302 L HN 0.256 nan 8.230 nan 0.000 0.498 1303 L N 2.909 124.260 121.223 0.214 0.000 2.473 1303 L HA 0.066 4.405 4.340 -0.001 0.000 0.268 1303 L C 0.664 177.688 176.870 0.258 0.000 1.215 1303 L CA -0.053 54.946 54.840 0.265 0.000 0.823 1303 L CB 0.189 42.376 42.059 0.214 0.000 1.099 1303 L HN 0.637 nan 8.230 nan 0.000 0.483 1304 Q N 2.583 122.175 119.800 -0.346 0.000 2.281 1304 Q HA 0.189 4.529 4.340 -0.001 0.000 0.267 1304 Q C -2.227 173.647 176.000 -0.209 0.000 1.053 1304 Q CA -1.529 53.834 55.803 -0.733 0.000 0.905 1304 Q CB 0.862 28.850 28.738 -1.251 0.000 1.195 1304 Q HN 0.267 nan 8.270 nan 0.000 0.398 1305 P HA -0.092 nan 4.420 nan 0.000 0.267 1305 P C 0.068 177.280 177.300 -0.147 0.000 1.200 1305 P CA 0.090 63.109 63.100 -0.135 0.000 0.772 1305 P CB 0.652 32.203 31.700 -0.249 0.000 0.855 1306 E N 1.336 121.437 120.200 -0.165 0.000 2.097 1306 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 1306 E C 0.333 176.674 176.600 -0.433 0.000 1.000 1306 E CA 1.555 57.764 56.400 -0.319 0.000 0.804 1306 E CB -0.153 29.301 29.700 -0.409 0.000 0.740 1306 E HN 0.532 nan 8.360 nan 0.000 0.454 1307 Y N -0.809 119.430 120.300 -0.103 0.000 2.468 1307 Y HA 0.155 4.704 4.550 -0.001 0.000 0.268 1307 Y C 0.531 176.360 175.900 -0.118 0.000 1.177 1307 Y CA -0.493 57.541 58.100 -0.109 0.000 1.265 1307 Y CB 0.276 38.666 38.460 -0.117 0.000 1.103 1307 Y HN 0.050 nan 8.280 nan 0.000 0.522 1308 C N 3.877 123.167 119.300 -0.016 0.000 2.482 1308 C HA 0.385 4.844 4.460 -0.001 0.000 0.378 1308 C C -2.109 172.890 174.990 0.015 0.000 1.284 1308 C CA -2.419 56.593 59.018 -0.009 0.000 1.826 1308 C CB -0.401 27.337 27.740 -0.003 0.000 2.473 1308 C HN 0.174 nan 8.230 nan 0.000 0.562 1309 P HA 0.126 nan 4.420 nan 0.000 0.269 1309 P C 0.392 177.767 177.300 0.124 0.000 1.209 1309 P CA 0.273 63.453 63.100 0.132 0.000 0.776 1309 P CB 0.617 32.480 31.700 0.272 0.000 0.876 1310 D N 3.673 124.138 120.400 0.108 0.000 2.116 1310 D HA -0.155 4.484 4.640 -0.001 0.000 0.193 1310 D C -0.565 175.815 176.300 0.133 0.000 0.998 1310 D CA 2.006 56.078 54.000 0.121 0.000 0.836 1310 D CB -1.841 39.008 40.800 0.082 0.000 0.951 1310 D HN 0.441 nan 8.370 nan 0.000 0.449 1311 P HA -0.096 nan 4.420 nan 0.000 0.218 1311 P C 1.826 179.175 177.300 0.080 0.000 1.149 1311 P CA 0.688 63.839 63.100 0.084 0.000 0.817 1311 P CB 0.117 31.869 31.700 0.087 0.000 0.785 1312 L N -1.366 119.923 121.223 0.110 0.000 2.109 1312 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 1312 L C 2.700 179.610 176.870 0.066 0.000 1.086 1312 L CA 1.476 56.365 54.840 0.083 0.000 0.760 1312 L CB -1.424 40.688 42.059 0.087 0.000 0.910 1312 L HN -0.162 nan 8.230 nan 0.000 0.437 1313 Y N 0.148 120.438 120.300 -0.018 0.000 2.242 1313 Y HA -0.252 4.297 4.550 -0.001 0.000 0.291 1313 Y C 2.369 178.224 175.900 -0.076 0.000 1.137 1313 Y CA 1.778 59.859 58.100 -0.031 0.000 1.181 1313 Y CB 0.164 38.638 38.460 0.023 0.000 0.989 1313 Y HN 0.310 nan 8.280 nan 0.000 0.527 1314 E N -0.631 119.526 120.200 -0.071 0.000 2.077 1314 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 1314 E C 2.176 178.651 176.600 -0.209 0.000 0.989 1314 E CA 1.632 57.942 56.400 -0.150 0.000 0.800 1314 E CB -0.237 29.440 29.700 -0.038 0.000 0.746 1314 E HN 0.301 nan 8.360 nan 0.000 0.452 1315 V N 1.248 121.071 119.914 -0.152 0.000 2.287 1315 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 1315 V C 2.280 178.162 176.094 -0.354 0.000 1.053 1315 V CA 1.903 64.102 62.300 -0.167 0.000 1.027 1315 V CB -0.436 31.352 31.823 -0.058 0.000 0.646 1315 V HN 0.332 nan 8.190 nan 0.000 0.447 1316 M N -0.854 118.440 119.600 -0.510 0.000 2.108 1316 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 1316 M C 2.177 177.659 176.300 -1.363 0.000 1.066 1316 M CA 1.940 56.618 55.300 -1.036 0.000 1.107 1316 M CB -0.537 31.460 32.600 -1.006 0.000 1.356 1316 M HN 0.263 nan 8.290 nan 0.000 0.406 1317 L N -0.095 120.603 121.223 -0.875 0.000 2.083 1317 L HA -0.229 4.110 4.340 -0.001 0.000 0.209 1317 L C 2.412 179.074 176.870 -0.346 0.000 1.083 1317 L CA 1.389 55.913 54.840 -0.526 0.000 0.752 1317 L CB -0.706 41.109 42.059 -0.407 0.000 0.899 1317 L HN 0.307 nan 8.230 nan 0.000 0.433 1318 K N -0.569 119.650 120.400 -0.302 0.000 2.057 1318 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 1318 K C 2.161 178.659 176.600 -0.170 0.000 1.049 1318 K CA 1.609 57.806 56.287 -0.150 0.000 0.931 1318 K CB -0.393 32.038 32.500 -0.115 0.000 0.714 1318 K HN 0.345 nan 8.250 nan 0.000 0.440 1319 C N -0.092 118.987 119.300 -0.368 0.000 2.419 1319 C HA -0.094 4.365 4.460 -0.001 0.000 0.281 1319 C C 1.419 176.228 174.990 -0.301 0.000 1.336 1319 C CA 0.158 58.964 59.018 -0.354 0.000 1.770 1319 C CB -0.794 26.649 27.740 -0.494 0.000 1.929 1319 C HN 0.573 nan 8.230 nan 0.000 0.509 1320 W N 0.062 121.121 121.300 -0.402 0.000 3.194 1320 W HA 0.281 4.940 4.660 -0.001 0.000 0.408 1320 W C 0.922 177.311 176.519 -0.216 0.000 1.072 1320 W CA -0.777 56.092 57.345 -0.793 0.000 1.953 1320 W CB -1.608 27.113 29.460 -1.232 0.000 1.091 1320 W HN 0.431 nan 8.180 nan 0.000 0.699 1321 H N 3.853 122.960 119.070 0.061 0.000 3.094 1321 H HA -0.037 4.518 4.556 -0.001 0.000 0.320 1321 H C -1.123 174.342 175.328 0.228 0.000 1.000 1321 H CA -0.236 55.873 56.048 0.101 0.000 1.413 1321 H CB 1.326 31.116 29.762 0.046 0.000 1.405 1321 H HN -0.105 nan 8.280 nan 0.000 0.586 1322 P HA -0.095 nan 4.420 nan 0.000 0.220 1322 P C -0.247 177.252 177.300 0.333 0.000 1.148 1322 P CA 1.306 64.594 63.100 0.314 0.000 0.803 1322 P CB 0.351 32.141 31.700 0.149 0.000 0.782 1323 K N 0.048 120.753 120.400 0.507 0.000 2.267 1323 K HA 0.423 4.742 4.320 -0.001 0.000 0.282 1323 K C 1.308 177.955 176.600 0.079 0.000 1.078 1323 K CA -0.287 56.116 56.287 0.195 0.000 0.903 1323 K CB 0.928 33.472 32.500 0.074 0.000 1.111 1323 K HN -0.146 nan 8.250 nan 0.000 0.475 1324 A N 3.673 126.542 122.820 0.082 0.000 1.903 1324 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 1324 A C 1.893 179.470 177.584 -0.012 0.000 1.191 1324 A CA 1.906 53.981 52.037 0.064 0.000 0.638 1324 A CB -0.323 18.706 19.000 0.049 0.000 0.823 1324 A HN 0.876 nan 8.150 nan 0.000 0.451 1325 E N -0.747 119.426 120.200 -0.045 0.000 2.338 1325 E HA -0.153 4.196 4.350 -0.001 0.000 0.197 1325 E C 1.336 177.857 176.600 -0.132 0.000 1.007 1325 E CA 1.032 57.389 56.400 -0.072 0.000 0.849 1325 E CB -0.379 29.287 29.700 -0.056 0.000 0.774 1325 E HN 0.512 nan 8.360 nan 0.000 0.506 1326 M N 0.837 120.291 119.600 -0.242 0.000 2.502 1326 M HA 0.183 4.662 4.480 -0.001 0.000 0.243 1326 M C 0.658 176.784 176.300 -0.290 0.000 1.130 1326 M CA 0.114 55.179 55.300 -0.391 0.000 1.055 1326 M CB -0.271 31.768 32.600 -0.934 0.000 1.457 1326 M HN -0.057 nan 8.290 nan 0.000 0.488 1327 R N 1.738 122.139 120.500 -0.163 0.000 2.594 1327 R HA 0.179 4.518 4.340 -0.001 0.000 0.272 1327 R C -2.110 174.121 176.300 -0.115 0.000 1.074 1327 R CA -1.342 54.710 56.100 -0.081 0.000 1.105 1327 R CB -0.300 29.990 30.300 -0.016 0.000 1.008 1327 R HN 0.040 nan 8.270 nan 0.000 0.472 1328 P HA -0.032 nan 4.420 nan 0.000 0.269 1328 P C -0.440 176.732 177.300 -0.215 0.000 1.215 1328 P CA -0.179 62.837 63.100 -0.139 0.000 0.780 1328 P CB 0.798 32.424 31.700 -0.123 0.000 0.898 1329 S N 1.105 116.700 115.700 -0.174 0.000 2.600 1329 S HA 0.156 4.625 4.470 -0.001 0.000 0.265 1329 S C 1.043 175.493 174.600 -0.251 0.000 1.325 1329 S CA -0.246 57.836 58.200 -0.196 0.000 1.002 1329 S CB -0.154 62.997 63.200 -0.082 0.000 0.921 1329 S HN 0.223 nan 8.310 nan 0.000 0.554 1330 F N 0.862 120.744 119.950 -0.112 0.000 2.216 1330 F HA -0.027 4.500 4.527 -0.001 0.000 0.300 1330 F C 3.041 178.758 175.800 -0.138 0.000 1.085 1330 F CA 1.411 59.302 58.000 -0.181 0.000 1.326 1330 F CB -1.005 37.871 39.000 -0.208 0.000 1.027 1330 F HN 0.727 nan 8.300 nan 0.000 0.497 1331 S N -0.280 115.461 115.700 0.068 0.000 2.359 1331 S HA -0.279 4.190 4.470 -0.001 0.000 0.224 1331 S C 2.193 176.798 174.600 0.008 0.000 1.035 1331 S CA 1.787 60.004 58.200 0.028 0.000 1.018 1331 S CB -0.418 62.791 63.200 0.014 0.000 0.876 1331 S HN 0.556 nan 8.310 nan 0.000 0.448 1332 E N 0.164 120.354 120.200 -0.017 0.000 2.077 1332 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 1332 E C 2.141 178.734 176.600 -0.011 0.000 0.989 1332 E CA 1.229 57.617 56.400 -0.021 0.000 0.800 1332 E CB -0.245 29.430 29.700 -0.042 0.000 0.746 1332 E HN 0.573 nan 8.360 nan 0.000 0.452 1333 L N 0.289 121.493 121.223 -0.031 0.000 2.012 1333 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 1333 L C 2.575 179.471 176.870 0.043 0.000 1.073 1333 L CA 0.891 55.733 54.840 0.003 0.000 0.748 1333 L CB -0.466 41.554 42.059 -0.065 0.000 0.891 1333 L HN 0.105 nan 8.230 nan 0.000 0.431 1334 V N -0.865 119.065 119.914 0.027 0.000 2.282 1334 V HA -0.361 3.758 4.120 -0.001 0.000 0.249 1334 V C 2.718 178.839 176.094 0.045 0.000 1.057 1334 V CA 2.177 64.498 62.300 0.034 0.000 1.032 1334 V CB -0.566 31.271 31.823 0.023 0.000 0.645 1334 V HN 0.508 nan 8.190 nan 0.000 0.447 1335 S N -0.550 115.172 115.700 0.038 0.000 2.351 1335 S HA -0.241 4.228 4.470 -0.001 0.000 0.220 1335 S C 2.184 176.817 174.600 0.055 0.000 1.035 1335 S CA 1.904 60.128 58.200 0.041 0.000 1.031 1335 S CB -0.255 62.961 63.200 0.027 0.000 0.928 1335 S HN 0.554 nan 8.310 nan 0.000 0.433 1336 R N 0.165 120.697 120.500 0.052 0.000 2.083 1336 R HA 0.002 4.341 4.340 -0.001 0.000 0.237 1336 R C 2.355 178.714 176.300 0.099 0.000 1.137 1336 R CA 1.887 58.026 56.100 0.063 0.000 0.951 1336 R CB -0.501 29.827 30.300 0.047 0.000 0.851 1336 R HN 0.489 nan 8.270 nan 0.000 0.434 1337 I N 0.575 121.214 120.570 0.116 0.000 2.353 1337 I HA -0.254 3.915 4.170 -0.001 0.000 0.248 1337 I C 2.621 178.844 176.117 0.178 0.000 1.119 1337 I CA 1.254 62.647 61.300 0.155 0.000 1.417 1337 I CB -0.415 37.692 38.000 0.179 0.000 1.078 1337 I HN 0.238 nan 8.210 nan 0.000 0.421 1338 S N 1.687 117.467 115.700 0.132 0.000 2.374 1338 S HA -0.247 4.222 4.470 -0.001 0.000 0.227 1338 S C 2.242 176.971 174.600 0.215 0.000 1.037 1338 S CA 1.180 59.475 58.200 0.157 0.000 1.024 1338 S CB -0.628 62.628 63.200 0.093 0.000 0.861 1338 S HN 0.412 nan 8.310 nan 0.000 0.456 1339 A N 1.992 124.902 122.820 0.151 0.000 1.858 1339 A HA 0.096 4.415 4.320 -0.001 0.000 0.216 1339 A C 2.287 179.959 177.584 0.147 0.000 1.190 1339 A CA 1.511 53.622 52.037 0.122 0.000 0.617 1339 A CB -0.897 18.151 19.000 0.080 0.000 0.827 1339 A HN 0.594 nan 8.150 nan 0.000 0.443 1340 I N -1.746 118.934 120.570 0.183 0.000 2.179 1340 I HA -0.247 3.922 4.170 -0.001 0.000 0.242 1340 I C 2.357 178.690 176.117 0.360 0.000 1.088 1340 I CA 1.744 63.188 61.300 0.239 0.000 1.357 1340 I CB -0.432 37.716 38.000 0.248 0.000 1.051 1340 I HN 0.452 nan 8.210 nan 0.000 0.409 1341 F N 2.144 122.214 119.950 0.200 0.000 2.091 1341 F HA -0.356 4.170 4.527 -0.001 0.000 0.299 1341 F C 2.857 178.772 175.800 0.192 0.000 1.103 1341 F CA 1.979 60.095 58.000 0.193 0.000 1.228 1341 F CB -0.537 38.519 39.000 0.092 0.000 0.984 1341 F HN 0.165 nan 8.300 nan 0.000 0.477 1342 S N -1.016 114.762 115.700 0.130 0.000 2.440 1342 S HA -0.228 4.242 4.470 -0.001 0.000 0.238 1342 S C 1.958 176.493 174.600 -0.108 0.000 1.010 1342 S CA 1.482 59.671 58.200 -0.018 0.000 0.972 1342 S CB -1.600 61.647 63.200 0.078 0.000 0.774 1342 S HN 0.660 nan 8.310 nan 0.000 0.501 1343 T N -1.863 112.624 114.554 -0.113 0.000 3.085 1343 T HA 0.262 4.612 4.350 -0.001 0.000 0.263 1343 T C 0.253 174.676 174.700 -0.462 0.000 1.127 1343 T CA -0.267 61.661 62.100 -0.287 0.000 1.103 1343 T CB -0.628 68.014 68.868 -0.376 0.000 0.921 1343 T HN 0.311 nan 8.240 nan 0.000 0.510 1344 F N 1.326 121.158 119.950 -0.196 0.000 2.399 1344 F HA 0.540 5.067 4.527 -0.001 0.000 0.328 1344 F C 1.206 176.839 175.800 -0.278 0.000 1.084 1344 F CA -1.661 56.213 58.000 -0.210 0.000 1.053 1344 F CB 1.356 40.232 39.000 -0.207 0.000 1.209 1344 F HN 0.020 nan 8.300 nan 0.000 0.502 1345 I N -1.037 119.496 120.570 -0.061 0.000 4.102 1345 I HA 0.490 4.660 4.170 -0.001 0.000 0.325 1345 I C 0.740 176.764 176.117 -0.154 0.000 1.471 1345 I CA -0.197 61.024 61.300 -0.131 0.000 1.133 1345 I CB 0.542 38.467 38.000 -0.124 0.000 1.184 1345 I HN 0.756 nan 8.210 nan 0.000 0.451 1346 G N 3.112 111.809 108.800 -0.172 0.000 2.212 1346 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.255 1346 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.255 1346 G C 0.382 175.086 174.900 -0.327 0.000 1.062 1346 G CA 0.661 45.607 45.100 -0.257 0.000 0.815 1346 G HN 0.857 nan 8.290 nan 0.000 0.497 1347 E N -1.175 118.821 120.200 -0.340 0.000 2.511 1347 E HA 0.124 4.473 4.350 -0.001 0.000 0.209 1347 E C 0.122 176.516 176.600 -0.342 0.000 0.986 1347 E CA -0.495 55.707 56.400 -0.331 0.000 0.974 1347 E CB 0.338 29.852 29.700 -0.309 0.000 1.030 1347 E HN 0.489 nan 8.360 nan 0.000 0.490 1348 H N 1.058 120.034 119.070 -0.157 0.000 2.641 1348 H HA 0.214 4.769 4.556 -0.001 0.000 0.295 1348 H C -1.150 174.000 175.328 -0.297 0.000 1.070 1348 H CA -0.787 55.211 56.048 -0.083 0.000 1.257 1348 H CB -0.147 29.632 29.762 0.028 0.000 1.393 1348 H HN 0.105 nan 8.280 nan 0.000 0.464 1349 Y N 1.304 121.542 120.300 -0.104 0.000 2.309 1349 Y HA 0.132 4.681 4.550 -0.001 0.000 0.327 1349 Y C 0.732 176.104 175.900 -0.880 0.000 1.172 1349 Y CA -0.312 57.558 58.100 -0.383 0.000 1.280 1349 Y CB 1.010 39.297 38.460 -0.288 0.000 1.234 1349 Y HN 0.253 nan 8.280 nan 0.000 0.512 1350 V N 4.480 123.939 119.914 -0.757 0.000 2.350 1350 V HA 0.252 4.371 4.120 -0.001 0.000 0.276 1350 V C -0.450 175.110 176.094 -0.889 0.000 1.028 1350 V CA -0.782 60.855 62.300 -1.104 0.000 0.860 1350 V CB 0.132 31.592 31.823 -0.606 0.000 0.990 1350 V HN 0.770 nan 8.190 nan 0.000 0.453 1351 H N 1.979 120.651 119.070 -0.662 0.000 2.595 1351 H HA 0.640 5.195 4.556 -0.001 0.000 0.346 1351 H C -0.330 174.986 175.328 -0.020 0.000 1.181 1351 H CA -0.959 54.980 56.048 -0.181 0.000 1.242 1351 H CB 1.586 31.329 29.762 -0.032 0.000 1.652 1351 H HN 0.412 nan 8.280 nan 0.000 0.548 1352 V N 1.945 121.946 119.914 0.145 0.000 2.546 1352 V HA -0.018 4.101 4.120 -0.001 0.000 0.284 1352 V C 0.511 176.656 176.094 0.084 0.000 1.050 1352 V CA -0.693 61.669 62.300 0.102 0.000 0.981 1352 V CB 0.964 32.832 31.823 0.074 0.000 0.990 1352 V HN 0.715 nan 8.190 nan 0.000 0.474 1353 N N 3.348 122.064 118.700 0.026 0.000 2.452 1353 N HA 0.070 4.809 4.740 -0.001 0.000 0.266 1353 N C 1.091 176.525 175.510 -0.127 0.000 1.209 1353 N CA 0.598 53.547 53.050 -0.169 0.000 0.929 1353 N CB 1.690 39.783 38.487 -0.657 0.000 1.063 1353 N HN 0.804 nan 8.380 nan 0.000 0.472 1354 A N 3.187 125.944 122.820 -0.105 0.000 1.958 1354 A HA -0.226 4.093 4.320 -0.001 0.000 0.221 1354 A C 1.993 179.546 177.584 -0.051 0.000 1.178 1354 A CA 2.547 54.549 52.037 -0.058 0.000 0.642 1354 A CB -0.998 17.970 19.000 -0.053 0.000 0.816 1354 A HN 0.831 nan 8.150 nan 0.000 0.453 1355 T N -3.869 110.608 114.554 -0.128 0.000 3.088 1355 T HA 0.142 4.491 4.350 -0.001 0.000 0.259 1355 T C 0.825 175.611 174.700 0.144 0.000 1.122 1355 T CA 0.123 62.199 62.100 -0.040 0.000 1.095 1355 T CB -0.397 68.427 68.868 -0.073 0.000 0.930 1355 T HN 0.485 nan 8.240 nan 0.000 0.508 1356 Y N 0.000 120.328 120.300 0.047 0.000 2.660 1356 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 1356 Y CA 0.000 58.135 58.100 0.057 0.000 1.940 1356 Y CB 0.000 38.487 38.460 0.046 0.000 1.050 1356 Y HN 0.000 nan 8.280 nan 0.000 0.758