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 3efj_1_B DATA FIRST_RESID 1054 DATA SEQUENCE DLSALNPELV QAVQHVVIGP SSLIVHFNEV IGRGHFGCVY HGTLLDNDGK DATA SEQUENCE KIHCAVKSLN RITDIGEVSQ FLTEGIIMKD FSHPNVLSLL GICLRSEGSP DATA SEQUENCE LVVLPYMKHG DLRNFIRNET HNPTVKDLIG FGLQVAKGMK YLASKKFVHR DATA SEQUENCE DLAARNCMLD EKFTVKVADX XXXXXXXXXX XXXXXXXXXX XXPVKWMALE DATA SEQUENCE SLQTQKFTTK SDVWSFGVLL WELMTRGAPP YPDVNTFDIT VYLLQGRRLL DATA SEQUENCE QPEYCPDPLY EVMLKCWHPK AEMRPSFSEL VSRISAIFST FIGEHYVH 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 1054 D HA 0.000 nan 4.640 nan 0.000 0.175 1054 D C 0.000 176.303 176.300 0.005 0.000 2.045 1054 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 1054 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 1055 L N -0.376 120.850 121.223 0.005 0.000 2.461 1055 L HA 0.444 4.784 4.340 -0.000 0.000 0.259 1055 L C 0.651 177.528 176.870 0.012 0.000 1.248 1055 L CA -0.397 54.448 54.840 0.008 0.000 0.823 1055 L CB 0.036 42.098 42.059 0.005 0.000 1.111 1055 L HN 0.245 nan 8.230 nan 0.000 0.516 1056 S N 0.892 116.600 115.700 0.013 0.000 3.570 1056 S HA 0.236 4.706 4.470 -0.000 0.000 0.259 1056 S C 0.861 175.467 174.600 0.011 0.000 1.150 1056 S CA 0.142 58.351 58.200 0.014 0.000 1.139 1056 S CB -0.387 62.821 63.200 0.013 0.000 1.624 1056 S HN 0.721 nan 8.310 nan 0.000 0.525 1057 A N 2.912 125.738 122.820 0.011 0.000 2.476 1057 A HA 0.369 4.689 4.320 -0.000 0.000 0.263 1057 A C 0.332 177.922 177.584 0.010 0.000 1.342 1057 A CA -0.170 51.873 52.037 0.009 0.000 0.926 1057 A CB -0.167 18.837 19.000 0.007 0.000 1.019 1057 A HN 0.499 nan 8.150 nan 0.000 0.515 1058 L N -0.965 120.265 121.223 0.012 0.000 2.448 1058 L HA 0.313 4.653 4.340 -0.000 0.000 0.258 1058 L C 0.686 177.561 176.870 0.010 0.000 1.104 1058 L CA -0.742 54.106 54.840 0.013 0.000 0.800 1058 L CB 0.092 42.162 42.059 0.018 0.000 1.241 1058 L HN 0.421 nan 8.230 nan 0.000 0.472 1059 N N 0.659 119.365 118.700 0.009 0.000 2.440 1059 N HA 0.063 4.803 4.740 -0.000 0.000 0.265 1059 N C -1.945 173.568 175.510 0.006 0.000 1.239 1059 N CA -0.652 52.402 53.050 0.007 0.000 0.909 1059 N CB 0.823 39.314 38.487 0.006 0.000 1.066 1059 N HN 0.274 nan 8.380 nan 0.000 0.474 1060 P HA -0.170 nan 4.420 nan 0.000 0.216 1060 P C 0.361 177.664 177.300 0.005 0.000 1.153 1060 P CA 1.499 64.602 63.100 0.005 0.000 0.858 1060 P CB 0.187 31.890 31.700 0.004 0.000 0.789 1061 E N -1.233 118.970 120.200 0.005 0.000 2.150 1061 E HA -0.136 4.213 4.350 -0.000 0.000 0.193 1061 E C 1.852 178.455 176.600 0.006 0.000 0.985 1061 E CA 0.548 56.951 56.400 0.005 0.000 0.814 1061 E CB -0.649 29.053 29.700 0.004 0.000 0.752 1061 E HN 0.111 nan 8.360 nan 0.000 0.466 1062 L N 0.234 121.459 121.223 0.004 0.000 2.044 1062 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 1062 L C 2.116 178.986 176.870 -0.001 0.000 1.075 1062 L CA 1.268 56.109 54.840 0.002 0.000 0.747 1062 L CB -0.350 41.710 42.059 0.000 0.000 0.903 1062 L HN -0.033 nan 8.230 nan 0.000 0.435 1063 V N 0.074 119.989 119.914 0.001 0.000 2.380 1063 V HA -0.393 3.727 4.120 -0.000 0.000 0.251 1063 V C 3.104 179.201 176.094 0.004 0.000 1.063 1063 V CA 2.338 64.638 62.300 -0.000 0.000 1.055 1063 V CB -1.573 30.252 31.823 0.004 0.000 0.657 1063 V HN 0.739 nan 8.190 nan 0.000 0.455 1064 Q N -0.591 119.216 119.800 0.010 0.000 2.084 1064 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 1064 Q C 2.252 178.275 176.000 0.039 0.000 0.978 1064 Q CA 2.296 58.111 55.803 0.019 0.000 0.844 1064 Q CB -0.995 27.751 28.738 0.014 0.000 0.898 1064 Q HN 0.761 nan 8.270 nan 0.000 0.426 1065 A N -0.116 122.726 122.820 0.037 0.000 1.968 1065 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 1065 A C 2.444 180.084 177.584 0.093 0.000 1.169 1065 A CA 1.495 53.574 52.037 0.070 0.000 0.638 1065 A CB -0.110 18.914 19.000 0.039 0.000 0.812 1065 A HN 0.554 nan 8.150 nan 0.000 0.446 1066 V N -0.209 119.703 119.914 -0.004 0.000 2.871 1066 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 1066 V C 2.421 178.429 176.094 -0.144 0.000 1.082 1066 V CA 1.330 63.560 62.300 -0.117 0.000 1.105 1066 V CB -0.650 31.110 31.823 -0.104 0.000 0.713 1066 V HN 0.459 nan 8.190 nan 0.000 0.473 1067 Q N 1.096 120.885 119.800 -0.018 0.000 2.242 1067 Q HA -0.267 4.073 4.340 -0.000 0.000 0.211 1067 Q C 2.119 178.118 176.000 -0.001 0.000 0.992 1067 Q CA 2.492 58.294 55.803 -0.001 0.000 0.889 1067 Q CB -0.543 28.218 28.738 0.038 0.000 0.913 1067 Q HN 1.059 nan 8.270 nan 0.000 0.422 1068 H N -2.650 116.397 119.070 -0.039 0.000 2.555 1068 H HA 0.133 4.689 4.556 -0.000 0.000 0.269 1068 H C 1.452 176.751 175.328 -0.048 0.000 0.988 1068 H CA 0.729 56.753 56.048 -0.039 0.000 1.178 1068 H CB 0.113 29.850 29.762 -0.040 0.000 1.373 1068 H HN -0.011 nan 8.280 nan 0.000 0.588 1069 V N 0.784 120.435 119.914 -0.438 0.000 3.523 1069 V HA 0.045 4.165 4.120 -0.000 0.000 0.255 1069 V C 0.869 176.851 176.094 -0.186 0.000 1.226 1069 V CA 0.363 62.453 62.300 -0.350 0.000 1.092 1069 V CB 0.593 32.138 31.823 -0.464 0.000 0.817 1069 V HN 0.446 nan 8.190 nan 0.000 0.458 1070 V N -0.220 119.610 119.914 -0.140 0.000 2.614 1070 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 1070 V C -0.181 175.890 176.094 -0.038 0.000 1.049 1070 V CA -0.404 61.853 62.300 -0.071 0.000 1.038 1070 V CB 0.964 32.760 31.823 -0.046 0.000 0.980 1070 V HN 0.194 nan 8.190 nan 0.000 0.481 1071 I N 4.347 124.906 120.570 -0.018 0.000 2.336 1071 I HA 0.508 4.677 4.170 -0.000 0.000 0.292 1071 I C 1.213 177.330 176.117 -0.000 0.000 0.991 1071 I CA -0.184 61.111 61.300 -0.008 0.000 1.227 1071 I CB 1.396 39.394 38.000 -0.003 0.000 1.366 1071 I HN 0.908 nan 8.210 nan 0.000 0.466 1072 G N 7.289 116.088 108.800 -0.002 0.000 2.343 1072 G HA2 0.159 4.119 3.960 -0.000 0.000 0.254 1072 G HA3 0.159 4.119 3.960 -0.000 0.000 0.254 1072 G C -1.456 173.443 174.900 -0.001 0.000 1.277 1072 G CA -0.813 44.287 45.100 0.000 0.000 0.909 1072 G HN 0.489 nan 8.290 nan 0.000 0.502 1073 P HA -0.096 nan 4.420 nan 0.000 0.230 1073 P C 1.699 178.994 177.300 -0.009 0.000 1.158 1073 P CA 1.029 64.129 63.100 -0.000 0.000 0.769 1073 P CB 0.286 31.990 31.700 0.007 0.000 0.807 1074 S N -0.416 115.279 115.700 -0.009 0.000 2.555 1074 S HA -0.026 4.443 4.470 -0.000 0.000 0.230 1074 S C 1.557 176.147 174.600 -0.015 0.000 0.978 1074 S CA 0.778 58.971 58.200 -0.012 0.000 0.934 1074 S CB -1.125 62.070 63.200 -0.009 0.000 0.766 1074 S HN 0.260 nan 8.310 nan 0.000 0.533 1075 S N 0.054 115.745 115.700 -0.014 0.000 2.602 1075 S HA 0.538 5.008 4.470 -0.000 0.000 0.240 1075 S C -0.371 174.216 174.600 -0.021 0.000 0.992 1075 S CA -0.712 57.479 58.200 -0.015 0.000 0.971 1075 S CB -0.138 63.057 63.200 -0.009 0.000 0.855 1075 S HN 0.404 nan 8.310 nan 0.000 0.481 1076 L N 1.169 122.373 121.223 -0.031 0.000 2.410 1076 L HA 0.676 5.016 4.340 -0.000 0.000 0.270 1076 L C -1.491 175.331 176.870 -0.081 0.000 0.983 1076 L CA -0.820 53.991 54.840 -0.048 0.000 0.822 1076 L CB 1.785 43.821 42.059 -0.038 0.000 1.285 1076 L HN 0.252 nan 8.230 nan 0.000 0.409 1077 I N 5.252 125.750 120.570 -0.120 0.000 2.406 1077 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 1077 I C -0.886 175.059 176.117 -0.286 0.000 0.999 1077 I CA -0.937 60.241 61.300 -0.205 0.000 1.124 1077 I CB 2.023 39.879 38.000 -0.240 0.000 1.289 1077 I HN 0.273 nan 8.210 nan 0.000 0.441 1078 V N 5.344 125.034 119.914 -0.373 0.000 2.384 1078 V HA 0.236 4.356 4.120 -0.000 0.000 0.287 1078 V C -0.511 175.212 176.094 -0.619 0.000 1.020 1078 V CA -0.784 61.194 62.300 -0.536 0.000 0.850 1078 V CB 1.090 32.406 31.823 -0.845 0.000 0.987 1078 V HN 0.577 nan 8.190 nan 0.000 0.436 1079 H N 4.735 123.560 119.070 -0.408 0.000 3.014 1079 H HA 0.298 4.854 4.556 -0.000 0.000 0.266 1079 H C 0.467 175.668 175.328 -0.211 0.000 1.455 1079 H CA -0.226 55.692 56.048 -0.216 0.000 1.402 1079 H CB -0.102 29.620 29.762 -0.066 0.000 1.626 1079 H HN 0.622 nan 8.280 nan 0.000 0.520 1080 F N 0.549 120.427 119.950 -0.120 0.000 2.546 1080 F HA -0.134 4.392 4.527 -0.000 0.000 0.298 1080 F C 1.474 177.262 175.800 -0.019 0.000 1.120 1080 F CA 0.504 58.308 58.000 -0.326 0.000 1.456 1080 F CB 0.173 38.932 39.000 -0.402 0.000 1.088 1080 F HN 0.525 nan 8.300 nan 0.000 0.572 1081 N N -0.050 118.783 118.700 0.222 0.000 2.424 1081 N HA -0.059 4.681 4.740 -0.000 0.000 0.178 1081 N C 0.242 175.887 175.510 0.225 0.000 1.060 1081 N CA 0.416 53.591 53.050 0.208 0.000 0.901 1081 N CB -0.004 38.576 38.487 0.155 0.000 0.979 1081 N HN 0.323 nan 8.380 nan 0.000 0.451 1082 E N 1.394 121.753 120.200 0.266 0.000 2.042 1082 E HA 0.215 4.565 4.350 -0.000 0.000 0.260 1082 E C -0.961 175.812 176.600 0.287 0.000 0.975 1082 E CA -0.263 56.276 56.400 0.232 0.000 0.799 1082 E CB 0.613 30.434 29.700 0.202 0.000 1.131 1082 E HN -0.191 nan 8.360 nan 0.000 0.423 1083 V N 6.082 126.135 119.914 0.231 0.000 2.461 1083 V HA 0.033 4.152 4.120 -0.000 0.000 0.275 1083 V C 1.231 177.384 176.094 0.099 0.000 1.047 1083 V CA -0.325 62.068 62.300 0.155 0.000 0.955 1083 V CB 1.061 32.949 31.823 0.109 0.000 0.988 1083 V HN 0.749 nan 8.190 nan 0.000 0.471 1084 I N 3.260 123.868 120.570 0.064 0.000 2.429 1084 I HA 0.229 4.399 4.170 -0.000 0.000 0.247 1084 I C 1.212 177.350 176.117 0.035 0.000 1.099 1084 I CA 1.063 62.412 61.300 0.082 0.000 1.422 1084 I CB -0.639 37.428 38.000 0.112 0.000 1.112 1084 I HN 0.723 nan 8.210 nan 0.000 0.430 1085 G N 0.988 109.788 108.800 -0.001 0.000 2.682 1085 G HA2 0.612 4.572 3.960 -0.000 0.000 0.300 1085 G HA3 0.612 4.572 3.960 -0.000 0.000 0.300 1085 G C -0.735 174.188 174.900 0.038 0.000 1.391 1085 G CA -0.602 44.517 45.100 0.032 0.000 0.990 1085 G HN -0.019 nan 8.290 nan 0.000 0.501 1086 R N 0.668 121.206 120.500 0.064 0.000 2.409 1086 R HA 0.669 5.008 4.340 -0.000 0.000 0.313 1086 R C 0.012 176.359 176.300 0.078 0.000 0.953 1086 R CA 0.018 56.152 56.100 0.057 0.000 0.849 1086 R CB 1.842 32.171 30.300 0.049 0.000 1.171 1086 R HN 1.440 nan 8.270 nan 0.000 0.458 1087 G N 1.198 110.044 108.800 0.078 0.000 2.674 1087 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.686 1087 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.686 1087 G C -0.051 174.922 174.900 0.122 0.000 1.195 1087 G CA 0.165 45.314 45.100 0.082 0.000 0.776 1087 G HN 0.955 nan 8.290 nan 0.000 0.654 1088 H N -0.143 118.892 119.070 -0.059 0.000 5.152 1088 H HA -0.318 4.238 4.556 -0.000 0.000 0.059 1088 H C 1.546 176.721 175.328 -0.255 0.000 0.543 1088 H CA 3.652 59.585 56.048 -0.191 0.000 1.018 1088 H CB -1.527 28.061 29.762 -0.289 0.000 0.579 1088 H HN 0.876 nan 8.280 nan 0.000 0.775 1089 F N 1.867 121.776 119.950 -0.069 0.000 2.797 1089 F HA 0.244 4.770 4.527 -0.000 0.000 0.302 1089 F C 2.154 177.892 175.800 -0.103 0.000 1.130 1089 F CA 0.816 58.743 58.000 -0.122 0.000 1.387 1089 F CB 0.207 39.188 39.000 -0.032 0.000 1.107 1089 F HN 0.760 nan 8.300 nan 0.000 0.577 1090 G N 0.008 108.835 108.800 0.045 0.000 2.583 1090 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.292 1090 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.292 1090 G C -0.465 174.428 174.900 -0.010 0.000 1.203 1090 G CA -0.115 44.992 45.100 0.012 0.000 0.987 1090 G HN 0.249 nan 8.290 nan 0.000 0.554 1091 C N 1.101 120.365 119.300 -0.059 0.000 2.223 1091 C HA 0.640 5.100 4.460 -0.000 0.000 0.324 1091 C C 0.639 175.344 174.990 -0.475 0.000 1.196 1091 C CA -0.355 58.517 59.018 -0.244 0.000 1.628 1091 C CB -0.500 27.155 27.740 -0.141 0.000 2.229 1091 C HN 0.623 nan 8.230 nan 0.000 0.486 1092 V N 5.203 124.819 119.914 -0.495 0.000 2.483 1092 V HA 0.547 4.667 4.120 -0.000 0.000 0.295 1092 V C -0.807 174.976 176.094 -0.517 0.000 1.035 1092 V CA -0.583 61.482 62.300 -0.393 0.000 0.896 1092 V CB 1.379 33.096 31.823 -0.177 0.000 0.986 1092 V HN 0.709 nan 8.190 nan 0.000 0.447 1093 Y N 1.386 121.713 120.300 0.045 0.000 2.499 1093 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 1093 Y C 0.334 176.284 175.900 0.083 0.000 0.987 1093 Y CA -0.895 57.230 58.100 0.040 0.000 1.044 1093 Y CB 1.154 39.557 38.460 -0.095 0.000 1.245 1093 Y HN 0.706 nan 8.280 nan 0.000 0.461 1094 H N 1.047 120.242 119.070 0.209 0.000 2.848 1094 H HA 0.470 5.026 4.556 -0.000 0.000 0.341 1094 H C -0.425 175.017 175.328 0.190 0.000 1.060 1094 H CA 0.322 56.477 56.048 0.178 0.000 1.444 1094 H CB 0.582 30.396 29.762 0.086 0.000 1.446 1094 H HN 0.927 nan 8.280 nan 0.000 0.583 1095 G N 2.532 111.282 108.800 -0.083 0.000 2.680 1095 G HA2 0.415 4.375 3.960 -0.000 0.000 0.290 1095 G HA3 0.415 4.375 3.960 -0.000 0.000 0.290 1095 G C -1.427 173.423 174.900 -0.083 0.000 1.355 1095 G CA -0.638 44.363 45.100 -0.165 0.000 0.903 1095 G HN 0.597 nan 8.290 nan 0.000 0.474 1096 T N 0.615 115.125 114.554 -0.073 0.000 2.881 1096 T HA 0.494 4.844 4.350 -0.000 0.000 0.291 1096 T C -1.134 173.561 174.700 -0.008 0.000 0.990 1096 T CA -0.301 61.801 62.100 0.004 0.000 0.976 1096 T CB 1.503 70.371 68.868 0.001 0.000 0.970 1096 T HN 0.501 nan 8.240 nan 0.000 0.438 1097 L N 3.760 124.994 121.223 0.017 0.000 2.346 1097 L HA 0.752 5.092 4.340 -0.000 0.000 0.274 1097 L C -1.563 175.312 176.870 0.008 0.000 1.007 1097 L CA -0.958 53.886 54.840 0.005 0.000 0.818 1097 L CB 1.268 43.333 42.059 0.010 0.000 1.284 1097 L HN 0.460 nan 8.230 nan 0.000 0.424 1098 L N 4.546 125.769 121.223 0.000 0.000 2.265 1098 L HA 0.378 4.718 4.340 -0.000 0.000 0.289 1098 L C -0.374 176.497 176.870 0.002 0.000 1.033 1098 L CA -0.309 54.532 54.840 0.002 0.000 0.814 1098 L CB 0.803 42.860 42.059 -0.003 0.000 1.203 1098 L HN 0.778 nan 8.230 nan 0.000 0.423 1099 D N 1.856 122.259 120.400 0.005 0.000 2.384 1099 D HA 0.110 4.749 4.640 -0.000 0.000 0.244 1099 D C 1.265 177.567 176.300 0.003 0.000 1.251 1099 D CA 0.379 54.382 54.000 0.005 0.000 0.961 1099 D CB 0.178 40.981 40.800 0.006 0.000 1.116 1099 D HN 0.412 nan 8.370 nan 0.000 0.484 1100 N N -0.400 118.302 118.700 0.004 0.000 2.089 1100 N HA -0.284 4.455 4.740 -0.000 0.000 0.198 1100 N C 1.692 177.203 175.510 0.003 0.000 1.017 1100 N CA 3.132 56.184 53.050 0.004 0.000 0.880 1100 N CB -1.860 36.630 38.487 0.005 0.000 1.042 1100 N HN 0.798 nan 8.380 nan 0.000 0.446 1101 D N -1.706 118.696 120.400 0.003 0.000 2.340 1101 D HA 0.438 5.078 4.640 -0.000 0.000 0.220 1101 D C 1.698 177.999 176.300 0.002 0.000 1.039 1101 D CA 1.032 55.033 54.000 0.002 0.000 0.866 1101 D CB -0.889 39.913 40.800 0.002 0.000 0.913 1101 D HN 1.561 nan 8.370 nan 0.000 0.523 1102 G N 0.235 109.036 108.800 0.002 0.000 2.141 1102 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 1102 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 1102 G C 0.333 175.234 174.900 0.002 0.000 0.982 1102 G CA 0.244 45.345 45.100 0.001 0.000 0.662 1102 G HN 0.634 nan 8.290 nan 0.000 0.527 1103 K N 0.687 121.090 120.400 0.004 0.000 2.298 1103 K HA 0.310 4.630 4.320 -0.000 0.000 0.280 1103 K C 0.606 177.212 176.600 0.011 0.000 1.032 1103 K CA -0.275 56.016 56.287 0.007 0.000 0.958 1103 K CB 0.823 33.328 32.500 0.008 0.000 0.978 1103 K HN 0.159 nan 8.250 nan 0.000 0.472 1104 K N 2.630 123.037 120.400 0.012 0.000 2.416 1104 K HA 0.064 4.384 4.320 -0.000 0.000 0.283 1104 K C -0.165 176.455 176.600 0.034 0.000 1.037 1104 K CA -0.055 56.244 56.287 0.020 0.000 0.995 1104 K CB 0.252 32.761 32.500 0.016 0.000 0.938 1104 K HN 0.392 nan 8.250 nan 0.000 0.475 1105 I N 2.457 123.055 120.570 0.047 0.000 2.418 1105 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 1105 I C -0.540 175.654 176.117 0.128 0.000 1.008 1105 I CA -0.464 60.879 61.300 0.071 0.000 1.104 1105 I CB 1.222 39.249 38.000 0.045 0.000 1.264 1105 I HN 0.603 nan 8.210 nan 0.000 0.438 1106 H N 7.587 126.674 119.070 0.027 0.000 2.899 1106 H HA 0.457 5.013 4.556 -0.000 0.000 0.303 1106 H C -0.700 174.689 175.328 0.101 0.000 1.042 1106 H CA -0.306 55.770 56.048 0.045 0.000 1.479 1106 H CB 0.521 30.255 29.762 -0.046 0.000 1.493 1106 H HN 0.937 nan 8.280 nan 0.000 0.534 1107 C N 3.132 122.524 119.300 0.153 0.000 3.213 1107 C HA 0.894 5.353 4.460 -0.000 0.000 0.319 1107 C C -0.286 174.779 174.990 0.124 0.000 1.386 1107 C CA -0.827 58.230 59.018 0.065 0.000 1.494 1107 C CB 0.818 28.588 27.740 0.049 0.000 1.905 1107 C HN 0.940 nan 8.230 nan 0.000 0.456 1108 A N 0.576 123.436 122.820 0.067 0.000 2.330 1108 A HA 0.796 5.116 4.320 -0.000 0.000 0.327 1108 A C -0.860 176.740 177.584 0.027 0.000 1.155 1108 A CA -0.432 51.641 52.037 0.061 0.000 0.803 1108 A CB 0.818 19.787 19.000 -0.052 0.000 1.208 1108 A HN 1.350 nan 8.150 nan 0.000 0.477 1109 V N 3.002 122.950 119.914 0.058 0.000 2.444 1109 V HA 0.428 4.548 4.120 -0.000 0.000 0.294 1109 V C 0.007 176.168 176.094 0.113 0.000 1.022 1109 V CA -0.722 61.620 62.300 0.071 0.000 0.850 1109 V CB 1.607 33.457 31.823 0.045 0.000 0.992 1109 V HN 0.895 nan 8.190 nan 0.000 0.426 1110 K N 2.270 122.725 120.400 0.092 0.000 2.182 1110 K HA 0.566 4.886 4.320 -0.000 0.000 0.262 1110 K C -0.401 176.293 176.600 0.156 0.000 0.957 1110 K CA -0.238 56.106 56.287 0.095 0.000 0.842 1110 K CB 1.835 34.365 32.500 0.050 0.000 1.099 1110 K HN 0.670 nan 8.250 nan 0.000 0.438 1111 S N 3.888 119.717 115.700 0.216 0.000 2.499 1111 S HA 0.348 4.818 4.470 -0.000 0.000 0.279 1111 S C -0.326 174.315 174.600 0.068 0.000 1.219 1111 S CA -0.785 57.529 58.200 0.190 0.000 1.062 1111 S CB 0.378 63.768 63.200 0.317 0.000 0.978 1111 S HN 0.431 nan 8.310 nan 0.000 0.489 1112 L N 5.919 127.126 121.223 -0.027 0.000 2.397 1112 L HA 0.318 4.657 4.340 -0.000 0.000 0.263 1112 L C 0.987 177.796 176.870 -0.101 0.000 1.136 1112 L CA -0.030 54.742 54.840 -0.113 0.000 1.019 1112 L CB -0.340 41.529 42.059 -0.316 0.000 1.352 1112 L HN 0.659 nan 8.230 nan 0.000 0.420 1113 N N 1.772 120.446 118.700 -0.043 0.000 2.289 1113 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 1113 N C 2.040 177.519 175.510 -0.051 0.000 1.016 1113 N CA 1.316 54.346 53.050 -0.034 0.000 0.872 1113 N CB 0.116 38.599 38.487 -0.006 0.000 0.973 1113 N HN 0.579 nan 8.380 nan 0.000 0.433 1114 R N 0.957 121.421 120.500 -0.061 0.000 2.062 1114 R HA 0.114 4.454 4.340 -0.000 0.000 0.226 1114 R C 1.027 177.284 176.300 -0.071 0.000 1.125 1114 R CA 0.476 56.542 56.100 -0.056 0.000 0.966 1114 R CB -1.362 28.909 30.300 -0.048 0.000 0.861 1114 R HN 0.094 nan 8.270 nan 0.000 0.433 1115 I N 2.483 122.984 120.570 -0.114 0.000 2.845 1115 I HA -0.043 4.126 4.170 -0.000 0.000 0.290 1115 I C 1.414 177.475 176.117 -0.092 0.000 1.202 1115 I CA 1.412 62.635 61.300 -0.127 0.000 1.406 1115 I CB 1.026 38.868 38.000 -0.264 0.000 1.383 1115 I HN 0.644 nan 8.210 nan 0.000 0.549 1116 T N 0.740 115.262 114.554 -0.053 0.000 3.409 1116 T HA 0.180 4.530 4.350 -0.000 0.000 0.242 1116 T C 0.203 174.892 174.700 -0.018 0.000 1.000 1116 T CA -0.069 62.009 62.100 -0.036 0.000 1.180 1116 T CB -0.666 68.184 68.868 -0.030 0.000 1.210 1116 T HN 0.505 nan 8.240 nan 0.000 0.373 1117 D N 1.096 121.490 120.400 -0.011 0.000 2.361 1117 D HA 0.259 4.899 4.640 -0.000 0.000 0.239 1117 D C 1.383 177.688 176.300 0.008 0.000 1.200 1117 D CA -0.574 53.426 54.000 -0.001 0.000 0.915 1117 D CB 0.717 41.516 40.800 -0.001 0.000 1.170 1117 D HN 0.267 nan 8.370 nan 0.000 0.444 1118 I N 0.779 121.356 120.570 0.011 0.000 2.185 1118 I HA -0.242 3.928 4.170 -0.000 0.000 0.246 1118 I C 2.037 178.170 176.117 0.025 0.000 1.088 1118 I CA 2.098 63.409 61.300 0.018 0.000 1.347 1118 I CB -0.416 37.593 38.000 0.014 0.000 1.041 1118 I HN 0.676 nan 8.210 nan 0.000 0.415 1119 G N -0.285 108.527 108.800 0.021 0.000 2.421 1119 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.216 1119 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.216 1119 G C 1.461 176.382 174.900 0.035 0.000 1.171 1119 G CA 0.747 45.862 45.100 0.024 0.000 0.775 1119 G HN 0.466 nan 8.290 nan 0.000 0.543 1120 E N -0.154 120.064 120.200 0.031 0.000 2.058 1120 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 1120 E C 2.780 179.430 176.600 0.085 0.000 0.997 1120 E CA 1.204 57.628 56.400 0.040 0.000 0.801 1120 E CB -0.145 29.559 29.700 0.008 0.000 0.746 1120 E HN 0.297 nan 8.360 nan 0.000 0.450 1121 V N 0.909 120.870 119.914 0.079 0.000 2.343 1121 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 1121 V C 2.275 178.474 176.094 0.176 0.000 1.051 1121 V CA 1.855 64.245 62.300 0.150 0.000 1.036 1121 V CB -0.483 31.399 31.823 0.099 0.000 0.654 1121 V HN 0.193 nan 8.190 nan 0.000 0.451 1122 S N -0.678 115.078 115.700 0.094 0.000 2.370 1122 S HA -0.249 4.220 4.470 -0.000 0.000 0.226 1122 S C 2.040 176.673 174.600 0.055 0.000 1.033 1122 S CA 1.334 59.570 58.200 0.059 0.000 1.011 1122 S CB -0.345 62.877 63.200 0.036 0.000 0.852 1122 S HN 0.542 nan 8.310 nan 0.000 0.457 1123 Q N 0.349 120.194 119.800 0.074 0.000 2.050 1123 Q HA -0.043 4.296 4.340 -0.000 0.000 0.202 1123 Q C 1.937 177.992 176.000 0.093 0.000 0.980 1123 Q CA 1.166 57.009 55.803 0.068 0.000 0.840 1123 Q CB -0.776 28.002 28.738 0.066 0.000 0.898 1123 Q HN 0.617 nan 8.270 nan 0.000 0.424 1124 F N 1.399 121.344 119.950 -0.010 0.000 2.120 1124 F HA -0.227 4.299 4.527 -0.000 0.000 0.300 1124 F C 1.942 177.729 175.800 -0.022 0.000 1.095 1124 F CA 1.269 59.262 58.000 -0.012 0.000 1.249 1124 F CB -0.397 38.598 39.000 -0.009 0.000 0.995 1124 F HN -0.012 nan 8.300 nan 0.000 0.480 1125 L N -0.486 120.622 121.223 -0.191 0.000 2.017 1125 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 1125 L C 2.693 179.421 176.870 -0.236 0.000 1.073 1125 L CA 2.024 56.687 54.840 -0.295 0.000 0.745 1125 L CB -1.404 40.589 42.059 -0.109 0.000 0.894 1125 L HN 0.319 nan 8.230 nan 0.000 0.432 1126 T N -0.539 113.941 114.554 -0.122 0.000 2.788 1126 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 1126 T C 1.971 176.605 174.700 -0.110 0.000 1.044 1126 T CA 1.977 64.022 62.100 -0.092 0.000 1.139 1126 T CB -0.091 68.754 68.868 -0.037 0.000 0.867 1126 T HN 0.479 nan 8.240 nan 0.000 0.454 1127 E N 0.364 120.502 120.200 -0.103 0.000 2.153 1127 E HA 0.066 4.415 4.350 -0.000 0.000 0.194 1127 E C 2.345 178.837 176.600 -0.179 0.000 0.988 1127 E CA 1.568 57.917 56.400 -0.086 0.000 0.811 1127 E CB -1.659 28.031 29.700 -0.016 0.000 0.746 1127 E HN 0.745 nan 8.360 nan 0.000 0.466 1128 G N 0.418 109.037 108.800 -0.301 0.000 2.408 1128 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 1128 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 1128 G C 1.836 176.561 174.900 -0.291 0.000 1.150 1128 G CA 0.918 45.812 45.100 -0.344 0.000 0.776 1128 G HN 0.506 nan 8.290 nan 0.000 0.542 1129 I N 0.470 120.884 120.570 -0.259 0.000 2.226 1129 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 1129 I C 2.616 178.610 176.117 -0.205 0.000 1.100 1129 I CA 0.816 61.997 61.300 -0.198 0.000 1.374 1129 I CB -0.153 37.779 38.000 -0.113 0.000 1.057 1129 I HN 0.170 nan 8.210 nan 0.000 0.413 1130 I N -0.061 120.354 120.570 -0.259 0.000 2.163 1130 I HA -0.326 3.843 4.170 -0.000 0.000 0.240 1130 I C 2.652 178.284 176.117 -0.808 0.000 1.081 1130 I CA 1.496 62.533 61.300 -0.439 0.000 1.353 1130 I CB -0.270 37.562 38.000 -0.281 0.000 1.054 1130 I HN 0.245 nan 8.210 nan 0.000 0.407 1131 M N 0.731 120.000 119.600 -0.553 0.000 2.159 1131 M HA -0.252 4.228 4.480 -0.000 0.000 0.263 1131 M C 2.253 178.364 176.300 -0.314 0.000 1.063 1131 M CA 1.769 56.800 55.300 -0.449 0.000 1.110 1131 M CB -0.048 32.450 32.600 -0.170 0.000 1.374 1131 M HN -0.042 nan 8.290 nan 0.000 0.411 1132 K N 0.838 121.089 120.400 -0.248 0.000 2.147 1132 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 1132 K C 1.208 177.759 176.600 -0.081 0.000 1.049 1132 K CA 1.943 58.154 56.287 -0.127 0.000 0.936 1132 K CB -0.414 32.015 32.500 -0.118 0.000 0.722 1132 K HN 0.421 nan 8.250 nan 0.000 0.446 1133 D N -0.271 120.024 120.400 -0.174 0.000 2.144 1133 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 1133 D C 0.076 176.407 176.300 0.051 0.000 0.978 1133 D CA 0.502 54.447 54.000 -0.092 0.000 0.833 1133 D CB -0.228 40.479 40.800 -0.155 0.000 0.961 1133 D HN 0.067 nan 8.370 nan 0.000 0.470 1134 F N 1.051 121.022 119.950 0.035 0.000 2.623 1134 F HA 0.070 4.597 4.527 -0.000 0.000 0.383 1134 F C 1.180 177.031 175.800 0.086 0.000 1.077 1134 F CA -0.296 57.783 58.000 0.131 0.000 1.268 1134 F CB 0.072 39.109 39.000 0.062 0.000 1.053 1134 F HN -0.336 nan 8.300 nan 0.000 0.571 1135 S N 3.635 119.523 115.700 0.314 0.000 2.461 1135 S HA 0.289 4.759 4.470 -0.000 0.000 0.216 1135 S C -1.454 172.994 174.600 -0.252 0.000 1.201 1135 S CA -0.422 57.803 58.200 0.041 0.000 1.171 1135 S CB -0.171 63.075 63.200 0.076 0.000 1.169 1135 S HN 0.768 nan 8.310 nan 0.000 0.456 1136 H N 4.588 123.359 119.070 -0.497 0.000 2.974 1136 H HA 0.391 4.947 4.556 -0.000 0.000 0.366 1136 H C -2.511 172.631 175.328 -0.309 0.000 1.155 1136 H CA -1.390 54.291 56.048 -0.612 0.000 1.186 1136 H CB 2.518 31.551 29.762 -1.216 0.000 1.799 1136 H HN 0.318 nan 8.280 nan 0.000 0.541 1137 P HA -0.049 nan 4.420 nan 0.000 0.225 1137 P C -0.016 177.296 177.300 0.020 0.000 1.148 1137 P CA 1.015 64.024 63.100 -0.152 0.000 0.779 1137 P CB 0.324 31.915 31.700 -0.182 0.000 0.780 1138 N N -0.935 117.928 118.700 0.272 0.000 2.273 1138 N HA 0.174 4.914 4.740 -0.000 0.000 0.231 1138 N C -0.877 174.636 175.510 0.004 0.000 1.134 1138 N CA -0.193 52.932 53.050 0.125 0.000 0.856 1138 N CB 0.727 39.291 38.487 0.128 0.000 1.068 1138 N HN -0.096 nan 8.380 nan 0.000 0.510 1139 V N 1.503 121.411 119.914 -0.010 0.000 2.531 1139 V HA 0.250 4.370 4.120 -0.000 0.000 0.301 1139 V C -0.343 175.736 176.094 -0.024 0.000 1.034 1139 V CA -0.999 61.271 62.300 -0.050 0.000 0.865 1139 V CB 2.116 33.871 31.823 -0.113 0.000 0.995 1139 V HN 0.093 nan 8.190 nan 0.000 0.424 1140 L N 5.590 126.805 121.223 -0.014 0.000 2.615 1140 L HA 0.211 4.551 4.340 -0.000 0.000 0.271 1140 L C 0.860 177.732 176.870 0.002 0.000 1.183 1140 L CA 0.885 55.712 54.840 -0.020 0.000 0.933 1140 L CB 0.547 42.590 42.059 -0.027 0.000 1.199 1140 L HN 0.893 nan 8.230 nan 0.000 0.487 1141 S N 5.059 120.754 115.700 -0.008 0.000 2.617 1141 S HA 0.515 4.985 4.470 -0.000 0.000 0.269 1141 S C -0.381 174.214 174.600 -0.009 0.000 1.292 1141 S CA -0.959 57.245 58.200 0.006 0.000 1.010 1141 S CB 1.501 64.701 63.200 -0.001 0.000 0.944 1141 S HN 0.584 nan 8.310 nan 0.000 0.536 1142 L N 2.001 123.217 121.223 -0.012 0.000 2.282 1142 L HA 0.456 4.795 4.340 -0.000 0.000 0.288 1142 L C 0.345 177.196 176.870 -0.030 0.000 1.033 1142 L CA -0.336 54.487 54.840 -0.029 0.000 0.807 1142 L CB 0.566 42.592 42.059 -0.055 0.000 1.209 1142 L HN 0.860 nan 8.230 nan 0.000 0.423 1143 L N 4.390 125.598 121.223 -0.025 0.000 2.209 1143 L HA 0.406 4.745 4.340 -0.000 0.000 0.207 1143 L C 1.024 177.877 176.870 -0.028 0.000 1.094 1143 L CA 0.751 55.579 54.840 -0.019 0.000 0.790 1143 L CB -0.307 41.746 42.059 -0.010 0.000 0.932 1143 L HN 0.883 nan 8.230 nan 0.000 0.447 1144 G N -0.193 108.585 108.800 -0.036 0.000 2.337 1144 G HA2 0.281 4.241 3.960 -0.000 0.000 0.298 1144 G HA3 0.281 4.241 3.960 -0.000 0.000 0.298 1144 G C -1.728 173.152 174.900 -0.033 0.000 1.335 1144 G CA -0.513 44.555 45.100 -0.054 0.000 0.875 1144 G HN 0.028 nan 8.290 nan 0.000 0.579 1145 I N -2.846 117.699 120.570 -0.042 0.000 2.646 1145 I HA 0.821 4.991 4.170 -0.000 0.000 0.299 1145 I C -0.730 175.424 176.117 0.062 0.000 1.036 1145 I CA -1.164 60.157 61.300 0.035 0.000 1.074 1145 I CB 2.233 40.210 38.000 -0.039 0.000 1.258 1145 I HN 0.647 nan 8.210 nan 0.000 0.430 1146 C N 6.317 125.690 119.300 0.122 0.000 2.346 1146 C HA 0.572 5.032 4.460 -0.000 0.000 0.326 1146 C C -0.126 174.930 174.990 0.109 0.000 1.224 1146 C CA -0.507 58.563 59.018 0.087 0.000 1.408 1146 C CB 0.413 28.193 27.740 0.067 0.000 2.089 1146 C HN 0.727 nan 8.230 nan 0.000 0.456 1147 L N 6.998 128.273 121.223 0.087 0.000 2.287 1147 L HA 0.471 4.811 4.340 -0.000 0.000 0.280 1147 L C 0.431 177.328 176.870 0.046 0.000 1.055 1147 L CA -0.087 54.801 54.840 0.080 0.000 0.863 1147 L CB 0.078 42.187 42.059 0.082 0.000 1.245 1147 L HN 0.604 nan 8.230 nan 0.000 0.432 1148 R N 0.931 121.453 120.500 0.038 0.000 2.390 1148 R HA 0.168 4.508 4.340 -0.000 0.000 0.291 1148 R C 1.185 177.491 176.300 0.010 0.000 1.070 1148 R CA -0.198 55.917 56.100 0.024 0.000 1.014 1148 R CB 1.383 31.699 30.300 0.027 0.000 1.007 1148 R HN 0.647 nan 8.270 nan 0.000 0.466 1149 S N 1.440 117.144 115.700 0.005 0.000 2.368 1149 S HA -0.161 4.308 4.470 -0.000 0.000 0.224 1149 S C 1.710 176.304 174.600 -0.010 0.000 1.029 1149 S CA 1.242 59.441 58.200 -0.001 0.000 0.988 1149 S CB -0.140 63.059 63.200 -0.002 0.000 0.838 1149 S HN 0.807 nan 8.310 nan 0.000 0.462 1150 E N 1.036 121.227 120.200 -0.015 0.000 2.451 1150 E HA 0.553 4.903 4.350 -0.000 0.000 0.194 1150 E C 0.429 177.006 176.600 -0.038 0.000 1.027 1150 E CA 0.036 56.420 56.400 -0.026 0.000 0.914 1150 E CB -0.111 29.571 29.700 -0.030 0.000 1.054 1150 E HN 0.772 nan 8.360 nan 0.000 0.461 1151 G N -0.137 108.645 108.800 -0.030 0.000 2.698 1151 G HA2 0.464 4.423 3.960 -0.000 0.000 0.293 1151 G HA3 0.464 4.423 3.960 -0.000 0.000 0.293 1151 G C -0.034 174.851 174.900 -0.026 0.000 1.437 1151 G CA 0.108 45.185 45.100 -0.038 0.000 0.852 1151 G HN 0.646 nan 8.290 nan 0.000 0.499 1152 S N 1.151 116.831 115.700 -0.035 0.000 2.573 1152 S HA 0.496 4.966 4.470 -0.000 0.000 0.277 1152 S C -2.076 172.499 174.600 -0.042 0.000 1.346 1152 S CA -0.751 57.419 58.200 -0.050 0.000 1.034 1152 S CB 1.127 64.291 63.200 -0.060 0.000 0.879 1152 S HN 0.532 nan 8.310 nan 0.000 0.528 1153 P HA 0.231 nan 4.420 nan 0.000 0.269 1153 P C -0.914 176.369 177.300 -0.028 0.000 1.215 1153 P CA -0.274 62.777 63.100 -0.083 0.000 0.780 1153 P CB 0.297 31.826 31.700 -0.285 0.000 0.898 1154 L N 1.737 123.014 121.223 0.089 0.000 2.322 1154 L HA 0.427 4.767 4.340 -0.000 0.000 0.281 1154 L C 0.087 177.069 176.870 0.187 0.000 1.014 1154 L CA -1.209 53.706 54.840 0.125 0.000 0.815 1154 L CB 2.000 44.130 42.059 0.117 0.000 1.247 1154 L HN 0.071 nan 8.230 nan 0.000 0.421 1155 V N 3.905 123.924 119.914 0.175 0.000 2.439 1155 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 1155 V C -0.028 176.117 176.094 0.085 0.000 1.039 1155 V CA -0.521 61.880 62.300 0.169 0.000 0.913 1155 V CB 2.033 33.967 31.823 0.185 0.000 0.983 1155 V HN 0.427 nan 8.190 nan 0.000 0.460 1156 V N 6.961 126.906 119.914 0.052 0.000 2.409 1156 V HA 0.564 4.684 4.120 -0.000 0.000 0.291 1156 V C -0.375 175.719 176.094 -0.000 0.000 1.020 1156 V CA -0.425 61.888 62.300 0.022 0.000 0.848 1156 V CB 1.343 33.176 31.823 0.016 0.000 0.990 1156 V HN 0.638 nan 8.190 nan 0.000 0.430 1157 L N 6.222 127.435 121.223 -0.016 0.000 2.354 1157 L HA 0.660 5.000 4.340 -0.000 0.000 0.264 1157 L C -2.647 174.196 176.870 -0.046 0.000 1.008 1157 L CA -2.041 52.774 54.840 -0.041 0.000 0.819 1157 L CB 2.523 44.537 42.059 -0.076 0.000 1.339 1157 L HN 0.368 nan 8.230 nan 0.000 0.420 1158 P HA -0.005 nan 4.420 nan 0.000 0.271 1158 P C -1.266 175.981 177.300 -0.089 0.000 1.216 1158 P CA -0.085 62.986 63.100 -0.048 0.000 0.776 1158 P CB 0.207 31.877 31.700 -0.050 0.000 0.881 1159 Y N 3.388 123.548 120.300 -0.233 0.000 2.544 1159 Y HA 0.134 4.683 4.550 -0.000 0.000 0.330 1159 Y C 0.141 175.884 175.900 -0.261 0.000 1.136 1159 Y CA 0.305 58.200 58.100 -0.342 0.000 1.417 1159 Y CB 0.278 38.300 38.460 -0.729 0.000 1.229 1159 Y HN 0.212 nan 8.280 nan 0.000 0.532 1160 M N 7.613 126.727 119.600 -0.811 0.000 2.047 1160 M HA 0.139 4.618 4.480 -0.000 0.000 0.342 1160 M C 1.036 176.887 176.300 -0.747 0.000 1.058 1160 M CA -0.283 54.663 55.300 -0.590 0.000 0.991 1160 M CB 1.432 33.764 32.600 -0.446 0.000 1.474 1160 M HN 0.820 nan 8.290 nan 0.000 0.419 1161 K N 2.193 122.329 120.400 -0.439 0.000 2.059 1161 K HA -0.177 4.142 4.320 -0.000 0.000 0.212 1161 K C 0.742 177.045 176.600 -0.495 0.000 1.050 1161 K CA 1.582 57.645 56.287 -0.374 0.000 0.927 1161 K CB 0.237 32.464 32.500 -0.455 0.000 0.714 1161 K HN 0.619 nan 8.250 nan 0.000 0.447 1162 H N -0.506 118.411 119.070 -0.254 0.000 2.507 1162 H HA 0.159 4.715 4.556 -0.000 0.000 0.294 1162 H C 1.037 176.276 175.328 -0.147 0.000 1.064 1162 H CA 0.446 56.392 56.048 -0.170 0.000 1.138 1162 H CB 0.299 29.853 29.762 -0.346 0.000 1.515 1162 H HN 0.511 nan 8.280 nan 0.000 0.547 1163 G N 2.195 110.901 108.800 -0.156 0.000 2.564 1163 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.273 1163 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.273 1163 G C -0.036 174.805 174.900 -0.099 0.000 1.242 1163 G CA 0.154 45.175 45.100 -0.131 0.000 0.951 1163 G HN 0.519 nan 8.290 nan 0.000 0.564 1164 D N 0.285 120.685 120.400 0.000 0.000 2.283 1164 D HA 0.373 5.013 4.640 -0.000 0.000 0.248 1164 D C 1.562 177.871 176.300 0.016 0.000 1.072 1164 D CA -0.537 53.482 54.000 0.031 0.000 0.929 1164 D CB 1.663 42.565 40.800 0.169 0.000 1.182 1164 D HN 0.422 nan 8.370 nan 0.000 0.433 1165 L N 1.349 122.550 121.223 -0.038 0.000 2.083 1165 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 1165 L C 2.520 179.425 176.870 0.058 0.000 1.083 1165 L CA 1.552 56.346 54.840 -0.077 0.000 0.752 1165 L CB -0.714 41.260 42.059 -0.140 0.000 0.899 1165 L HN 0.536 nan 8.230 nan 0.000 0.433 1166 R N -0.753 119.788 120.500 0.068 0.000 2.066 1166 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 1166 R C 2.117 178.481 176.300 0.106 0.000 1.131 1166 R CA 1.609 57.763 56.100 0.090 0.000 0.955 1166 R CB -0.280 30.058 30.300 0.065 0.000 0.851 1166 R HN 0.419 nan 8.270 nan 0.000 0.432 1167 N N -0.174 118.593 118.700 0.112 0.000 2.223 1167 N HA -0.186 4.554 4.740 -0.000 0.000 0.185 1167 N C 1.459 177.072 175.510 0.172 0.000 1.016 1167 N CA 1.108 54.234 53.050 0.126 0.000 0.863 1167 N CB -0.203 38.360 38.487 0.128 0.000 0.983 1167 N HN 0.186 nan 8.380 nan 0.000 0.429 1168 F N 1.137 121.103 119.950 0.027 0.000 2.206 1168 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 1168 F C 1.792 177.626 175.800 0.058 0.000 1.090 1168 F CA 1.073 59.066 58.000 -0.010 0.000 1.323 1168 F CB -0.126 38.750 39.000 -0.207 0.000 1.028 1168 F HN 0.158 nan 8.300 nan 0.000 0.492 1169 I N -2.169 118.471 120.570 0.117 0.000 2.852 1169 I HA 0.039 4.209 4.170 -0.000 0.000 0.264 1169 I C 2.223 178.362 176.117 0.036 0.000 1.179 1169 I CA 0.621 61.964 61.300 0.072 0.000 1.480 1169 I CB -0.599 37.499 38.000 0.164 0.000 1.111 1169 I HN -0.050 nan 8.210 nan 0.000 0.441 1170 R N 1.467 121.999 120.500 0.052 0.000 2.092 1170 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 1170 R C 0.800 177.108 176.300 0.014 0.000 1.119 1170 R CA 0.441 56.564 56.100 0.038 0.000 0.970 1170 R CB -0.469 29.863 30.300 0.053 0.000 0.864 1170 R HN 0.355 nan 8.270 nan 0.000 0.440 1171 N N 1.895 120.603 118.700 0.013 0.000 2.414 1171 N HA -0.109 4.631 4.740 -0.000 0.000 0.268 1171 N C 0.269 175.727 175.510 -0.087 0.000 1.286 1171 N CA 0.497 53.524 53.050 -0.039 0.000 0.896 1171 N CB 1.082 39.548 38.487 -0.036 0.000 1.093 1171 N HN 0.026 nan 8.380 nan 0.000 0.480 1172 E N 1.524 121.673 120.200 -0.085 0.000 2.268 1172 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 1172 E C 1.149 177.679 176.600 -0.117 0.000 0.995 1172 E CA 0.983 57.336 56.400 -0.078 0.000 0.836 1172 E CB 0.114 29.782 29.700 -0.054 0.000 0.763 1172 E HN 0.640 nan 8.360 nan 0.000 0.491 1173 T N -0.394 114.036 114.554 -0.207 0.000 2.915 1173 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 1173 T C 0.160 174.702 174.700 -0.264 0.000 1.071 1173 T CA 0.848 62.794 62.100 -0.256 0.000 1.132 1173 T CB -0.306 68.358 68.868 -0.339 0.000 0.878 1173 T HN 0.299 nan 8.240 nan 0.000 0.479 1174 H N 2.099 121.095 119.070 -0.122 0.000 2.525 1174 H HA 0.355 4.911 4.556 -0.000 0.000 0.339 1174 H C 0.441 175.763 175.328 -0.010 0.000 1.109 1174 H CA -0.786 55.194 56.048 -0.114 0.000 1.352 1174 H CB 0.472 29.896 29.762 -0.564 0.000 1.461 1174 H HN 0.136 nan 8.280 nan 0.000 0.533 1175 N N 2.699 121.550 118.700 0.252 0.000 2.886 1175 N HA 0.153 4.893 4.740 -0.000 0.000 0.285 1175 N C -3.180 172.509 175.510 0.299 0.000 1.706 1175 N CA -2.034 51.108 53.050 0.154 0.000 0.904 1175 N CB 0.477 38.951 38.487 -0.021 0.000 1.224 1175 N HN 0.319 nan 8.380 nan 0.000 0.488 1176 P HA 0.146 nan 4.420 nan 0.000 0.281 1176 P C 0.488 177.834 177.300 0.077 0.000 1.252 1176 P CA 0.125 63.417 63.100 0.320 0.000 0.778 1176 P CB 0.893 32.788 31.700 0.325 0.000 0.895 1177 T N -0.589 113.934 114.554 -0.052 0.000 2.726 1177 T HA 0.081 4.430 4.350 -0.000 0.000 0.294 1177 T C 1.536 176.132 174.700 -0.173 0.000 1.013 1177 T CA -0.567 61.434 62.100 -0.165 0.000 0.996 1177 T CB -0.128 68.561 68.868 -0.299 0.000 1.016 1177 T HN 0.067 nan 8.240 nan 0.000 0.529 1178 V N 1.094 120.883 119.914 -0.207 0.000 2.332 1178 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 1178 V C 2.866 178.742 176.094 -0.363 0.000 1.055 1178 V CA 2.228 64.363 62.300 -0.274 0.000 1.038 1178 V CB -0.957 30.680 31.823 -0.311 0.000 0.651 1178 V HN 0.982 nan 8.190 nan 0.000 0.450 1179 K N -0.356 119.829 120.400 -0.359 0.000 2.147 1179 K HA -0.221 4.099 4.320 -0.000 0.000 0.205 1179 K C 1.836 178.368 176.600 -0.113 0.000 1.049 1179 K CA 1.672 57.794 56.287 -0.274 0.000 0.936 1179 K CB -0.174 32.187 32.500 -0.232 0.000 0.722 1179 K HN 0.457 nan 8.250 nan 0.000 0.446 1180 D N 0.771 121.042 120.400 -0.215 0.000 2.117 1180 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 1180 D C 1.972 177.882 176.300 -0.650 0.000 0.982 1180 D CA 0.997 54.764 54.000 -0.388 0.000 0.828 1180 D CB -0.033 40.603 40.800 -0.273 0.000 0.967 1180 D HN 0.222 nan 8.370 nan 0.000 0.464 1181 L N 0.433 121.458 121.223 -0.330 0.000 2.056 1181 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 1181 L C 2.531 179.347 176.870 -0.091 0.000 1.078 1181 L CA 0.645 55.390 54.840 -0.158 0.000 0.749 1181 L CB -0.283 41.739 42.059 -0.061 0.000 0.901 1181 L HN -0.008 nan 8.230 nan 0.000 0.433 1182 I N -0.112 120.401 120.570 -0.096 0.000 2.226 1182 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 1182 I C 2.664 178.780 176.117 -0.002 0.000 1.100 1182 I CA 1.385 62.683 61.300 -0.003 0.000 1.374 1182 I CB -0.949 37.065 38.000 0.022 0.000 1.057 1182 I HN 0.269 nan 8.210 nan 0.000 0.413 1183 G N 0.732 109.499 108.800 -0.056 0.000 2.440 1183 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 1183 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 1183 G C 1.670 176.495 174.900 -0.125 0.000 1.154 1183 G CA 0.602 45.505 45.100 -0.329 0.000 0.767 1183 G HN 0.328 nan 8.290 nan 0.000 0.552 1184 F N 1.129 121.042 119.950 -0.061 0.000 2.134 1184 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 1184 F C 2.994 178.785 175.800 -0.016 0.000 1.097 1184 F CA 0.279 58.243 58.000 -0.059 0.000 1.264 1184 F CB -0.148 38.832 39.000 -0.034 0.000 1.001 1184 F HN 0.255 nan 8.300 nan 0.000 0.479 1185 G N 0.214 109.130 108.800 0.194 0.000 2.432 1185 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 1185 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 1185 G C 1.481 176.541 174.900 0.266 0.000 1.135 1185 G CA 0.616 45.828 45.100 0.186 0.000 0.767 1185 G HN 0.262 nan 8.290 nan 0.000 0.550 1186 L N 0.137 121.427 121.223 0.112 0.000 2.156 1186 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 1186 L C 2.719 179.619 176.870 0.050 0.000 1.095 1186 L CA 1.703 56.576 54.840 0.054 0.000 0.770 1186 L CB -0.407 41.563 42.059 -0.149 0.000 0.914 1186 L HN 0.297 nan 8.230 nan 0.000 0.439 1187 Q N -1.359 118.464 119.800 0.038 0.000 2.096 1187 Q HA -0.105 4.234 4.340 -0.000 0.000 0.197 1187 Q C 2.187 178.208 176.000 0.035 0.000 0.964 1187 Q CA 1.527 57.340 55.803 0.016 0.000 0.838 1187 Q CB -0.187 28.518 28.738 -0.055 0.000 0.906 1187 Q HN 0.425 nan 8.270 nan 0.000 0.444 1188 V N 1.474 121.449 119.914 0.101 0.000 2.282 1188 V HA -0.345 3.774 4.120 -0.000 0.000 0.249 1188 V C 2.358 178.466 176.094 0.024 0.000 1.057 1188 V CA 2.003 64.376 62.300 0.122 0.000 1.032 1188 V CB -1.135 30.875 31.823 0.311 0.000 0.645 1188 V HN 0.425 nan 8.190 nan 0.000 0.447 1189 A N -0.325 122.545 122.820 0.083 0.000 1.892 1189 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 1189 A C 2.299 179.788 177.584 -0.157 0.000 1.188 1189 A CA 2.328 54.270 52.037 -0.160 0.000 0.631 1189 A CB -0.510 18.475 19.000 -0.025 0.000 0.822 1189 A HN 0.581 nan 8.150 nan 0.000 0.447 1190 K N -1.020 119.338 120.400 -0.069 0.000 2.057 1190 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 1190 K C 2.165 178.587 176.600 -0.297 0.000 1.049 1190 K CA 1.051 57.298 56.287 -0.067 0.000 0.931 1190 K CB -0.443 32.106 32.500 0.082 0.000 0.714 1190 K HN 0.482 nan 8.250 nan 0.000 0.440 1191 G N 1.164 109.775 108.800 -0.314 0.000 2.421 1191 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 1191 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 1191 G C 1.452 176.109 174.900 -0.405 0.000 1.171 1191 G CA 0.561 45.394 45.100 -0.445 0.000 0.775 1191 G HN 0.062 nan 8.290 nan 0.000 0.543 1192 M N 0.512 119.823 119.600 -0.481 0.000 2.229 1192 M HA 0.075 4.555 4.480 -0.000 0.000 0.264 1192 M C 2.256 178.123 176.300 -0.721 0.000 1.063 1192 M CA 0.888 55.713 55.300 -0.792 0.000 1.114 1192 M CB -0.769 30.893 32.600 -1.563 0.000 1.387 1192 M HN 0.303 nan 8.290 nan 0.000 0.420 1193 K N -0.254 119.882 120.400 -0.439 0.000 2.026 1193 K HA -0.236 4.083 4.320 -0.000 0.000 0.208 1193 K C 2.155 178.688 176.600 -0.113 0.000 1.048 1193 K CA 1.591 57.794 56.287 -0.140 0.000 0.929 1193 K CB -0.352 32.127 32.500 -0.035 0.000 0.713 1193 K HN 0.250 nan 8.250 nan 0.000 0.439 1194 Y N 1.647 121.757 120.300 -0.316 0.000 2.114 1194 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 1194 Y C 1.873 177.611 175.900 -0.270 0.000 1.143 1194 Y CA 1.645 59.576 58.100 -0.281 0.000 1.135 1194 Y CB -0.314 37.861 38.460 -0.474 0.000 0.980 1194 Y HN 0.017 nan 8.280 nan 0.000 0.499 1195 L N -0.037 121.020 121.223 -0.276 0.000 2.081 1195 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 1195 L C 2.755 179.532 176.870 -0.155 0.000 1.080 1195 L CA 1.373 56.016 54.840 -0.328 0.000 0.754 1195 L CB -1.111 40.849 42.059 -0.164 0.000 0.893 1195 L HN 0.435 nan 8.230 nan 0.000 0.433 1196 A N -0.025 122.723 122.820 -0.120 0.000 1.930 1196 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 1196 A C 2.485 180.052 177.584 -0.028 0.000 1.175 1196 A CA 1.676 53.710 52.037 -0.006 0.000 0.627 1196 A CB -0.550 18.500 19.000 0.083 0.000 0.815 1196 A HN 0.528 nan 8.150 nan 0.000 0.443 1197 S N -0.813 114.824 115.700 -0.105 0.000 2.474 1197 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 1197 S C 1.344 175.874 174.600 -0.117 0.000 0.997 1197 S CA 1.106 59.245 58.200 -0.101 0.000 0.949 1197 S CB -0.093 63.032 63.200 -0.124 0.000 0.766 1197 S HN 0.370 nan 8.310 nan 0.000 0.517 1198 K N 0.732 121.036 120.400 -0.159 0.000 2.387 1198 K HA 0.268 4.588 4.320 -0.000 0.000 0.198 1198 K C 1.041 177.689 176.600 0.080 0.000 1.022 1198 K CA 0.707 56.958 56.287 -0.060 0.000 1.128 1198 K CB -0.083 32.362 32.500 -0.092 0.000 0.853 1198 K HN 0.537 nan 8.250 nan 0.000 0.523 1199 K N 1.028 121.467 120.400 0.064 0.000 3.129 1199 K HA -0.222 4.098 4.320 -0.000 0.000 0.273 1199 K C -0.261 176.436 176.600 0.161 0.000 1.123 1199 K CA 1.457 57.801 56.287 0.095 0.000 0.800 1199 K CB -3.050 29.495 32.500 0.075 0.000 1.238 1199 K HN 0.333 nan 8.250 nan 0.000 0.492 1200 F N 0.221 120.189 119.950 0.030 0.000 2.404 1200 F HA 0.566 5.092 4.527 -0.000 0.000 0.354 1200 F C 0.338 176.171 175.800 0.054 0.000 1.122 1200 F CA -1.141 56.902 58.000 0.072 0.000 1.080 1200 F CB 1.819 40.901 39.000 0.137 0.000 1.131 1200 F HN 0.033 nan 8.300 nan 0.000 0.471 1201 V N 7.159 126.782 119.914 -0.484 0.000 2.432 1201 V HA 0.060 4.179 4.120 -0.000 0.000 0.275 1201 V C 1.155 176.952 176.094 -0.495 0.000 1.043 1201 V CA -0.287 61.843 62.300 -0.285 0.000 0.925 1201 V CB 0.992 32.739 31.823 -0.127 0.000 0.985 1201 V HN 0.861 nan 8.190 nan 0.000 0.466 1202 H N 5.086 124.065 119.070 -0.152 0.000 2.307 1202 H HA -0.013 4.543 4.556 -0.000 0.000 0.303 1202 H C 1.660 176.955 175.328 -0.056 0.000 1.073 1202 H CA 2.164 58.205 56.048 -0.011 0.000 1.338 1202 H CB 0.381 30.222 29.762 0.132 0.000 1.389 1202 H HN 0.740 nan 8.280 nan 0.000 0.503 1203 R N -1.090 119.533 120.500 0.204 0.000 3.590 1203 R HA -0.187 4.153 4.340 -0.000 0.000 0.463 1203 R C -0.412 175.980 176.300 0.155 0.000 0.657 1203 R CA 1.401 57.505 56.100 0.007 0.000 1.512 1203 R CB -1.421 28.617 30.300 -0.437 0.000 2.154 1203 R HN 0.357 nan 8.270 nan 0.000 0.409 1204 D N 0.211 120.855 120.400 0.406 0.000 3.060 1204 D HA 0.195 4.835 4.640 -0.000 0.000 0.326 1204 D C -1.387 175.034 176.300 0.201 0.000 1.253 1204 D CA -0.400 53.761 54.000 0.268 0.000 0.737 1204 D CB 0.510 41.396 40.800 0.143 0.000 1.260 1204 D HN 0.026 nan 8.370 nan 0.000 0.542 1205 L N 1.668 122.917 121.223 0.044 0.000 2.360 1205 L HA 0.757 5.097 4.340 -0.000 0.000 0.276 1205 L C -0.525 176.340 176.870 -0.010 0.000 1.121 1205 L CA 0.159 54.892 54.840 -0.178 0.000 0.845 1205 L CB 0.499 42.524 42.059 -0.057 0.000 1.143 1205 L HN 0.269 nan 8.230 nan 0.000 0.452 1206 A N 3.801 126.578 122.820 -0.071 0.000 2.597 1206 A HA 0.676 4.996 4.320 -0.000 0.000 0.292 1206 A C 0.432 178.018 177.584 0.003 0.000 1.057 1206 A CA -0.131 51.842 52.037 -0.106 0.000 0.674 1206 A CB 0.252 18.835 19.000 -0.695 0.000 1.278 1206 A HN 1.036 nan 8.150 nan 0.000 0.416 1207 A N 0.834 123.717 122.820 0.106 0.000 1.908 1207 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 1207 A C 1.968 179.562 177.584 0.017 0.000 1.181 1207 A CA 2.111 54.200 52.037 0.088 0.000 0.627 1207 A CB -0.633 18.456 19.000 0.149 0.000 0.818 1207 A HN 1.166 nan 8.150 nan 0.000 0.445 1208 R N -0.810 119.647 120.500 -0.071 0.000 2.193 1208 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 1208 R C 0.329 176.613 176.300 -0.026 0.000 1.110 1208 R CA 1.565 57.578 56.100 -0.146 0.000 0.988 1208 R CB -0.500 29.521 30.300 -0.464 0.000 0.871 1208 R HN 0.335 nan 8.270 nan 0.000 0.458 1209 N N 0.105 118.813 118.700 0.013 0.000 2.314 1209 N HA 0.095 4.835 4.740 -0.000 0.000 0.200 1209 N C -0.865 174.755 175.510 0.184 0.000 1.135 1209 N CA 0.014 53.179 53.050 0.192 0.000 0.835 1209 N CB 0.397 38.983 38.487 0.166 0.000 0.989 1209 N HN 0.171 nan 8.380 nan 0.000 0.478 1210 C N 1.423 120.783 119.300 0.099 0.000 2.382 1210 C HA 0.555 5.015 4.460 -0.000 0.000 0.327 1210 C C 0.133 175.105 174.990 -0.030 0.000 1.250 1210 C CA -0.942 58.093 59.018 0.027 0.000 1.707 1210 C CB 0.766 28.499 27.740 -0.011 0.000 2.272 1210 C HN 0.186 nan 8.230 nan 0.000 0.506 1211 M N 2.991 122.540 119.600 -0.084 0.000 2.654 1211 M HA 0.625 5.105 4.480 -0.000 0.000 0.310 1211 M C -0.629 175.530 176.300 -0.235 0.000 1.211 1211 M CA -0.814 54.392 55.300 -0.157 0.000 0.947 1211 M CB 1.017 33.512 32.600 -0.176 0.000 1.647 1211 M HN 0.507 nan 8.290 nan 0.000 0.481 1212 L N 2.351 123.406 121.223 -0.280 0.000 2.446 1212 L HA 0.291 4.631 4.340 -0.000 0.000 0.268 1212 L C -0.709 175.985 176.870 -0.293 0.000 0.975 1212 L CA -0.633 53.996 54.840 -0.351 0.000 0.848 1212 L CB 1.710 43.445 42.059 -0.540 0.000 1.225 1212 L HN 0.774 nan 8.230 nan 0.000 0.410 1213 D N 1.704 121.952 120.400 -0.254 0.000 2.425 1213 D HA 0.049 4.689 4.640 -0.000 0.000 0.274 1213 D C 0.889 177.030 176.300 -0.264 0.000 1.242 1213 D CA -0.229 53.634 54.000 -0.229 0.000 1.060 1213 D CB 0.609 41.316 40.800 -0.155 0.000 1.112 1213 D HN 0.515 nan 8.370 nan 0.000 0.561 1214 E N -0.249 119.817 120.200 -0.223 0.000 2.106 1214 E HA -0.140 4.209 4.350 -0.000 0.000 0.192 1214 E C 1.223 177.635 176.600 -0.314 0.000 0.984 1214 E CA 1.204 57.452 56.400 -0.254 0.000 0.806 1214 E CB -0.503 29.124 29.700 -0.121 0.000 0.750 1214 E HN 0.438 nan 8.360 nan 0.000 0.458 1215 K N 0.357 120.676 120.400 -0.135 0.000 2.546 1215 K HA 0.091 4.411 4.320 -0.000 0.000 0.198 1215 K C -0.712 175.991 176.600 0.171 0.000 1.028 1215 K CA -0.181 56.128 56.287 0.037 0.000 1.150 1215 K CB -0.487 32.069 32.500 0.093 0.000 0.876 1215 K HN 0.057 nan 8.250 nan 0.000 0.508 1216 F N 0.244 120.232 119.950 0.063 0.000 3.048 1216 F HA -0.266 4.261 4.527 -0.000 0.000 0.269 1216 F C 0.014 175.779 175.800 -0.059 0.000 0.960 1216 F CA 0.520 58.495 58.000 -0.041 0.000 0.909 1216 F CB -2.562 36.476 39.000 0.064 0.000 0.837 1216 F HN -0.065 nan 8.300 nan 0.000 0.768 1217 T N 0.594 115.141 114.554 -0.011 0.000 2.806 1217 T HA 0.543 4.893 4.350 -0.000 0.000 0.290 1217 T C 0.404 174.976 174.700 -0.215 0.000 0.966 1217 T CA -0.597 61.413 62.100 -0.150 0.000 1.060 1217 T CB 1.559 70.416 68.868 -0.018 0.000 0.927 1217 T HN 0.018 nan 8.240 nan 0.000 0.485 1218 V N 4.581 124.342 119.914 -0.255 0.000 2.530 1218 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 1218 V C 0.256 176.266 176.094 -0.139 0.000 1.048 1218 V CA -0.229 61.933 62.300 -0.229 0.000 0.997 1218 V CB 0.849 32.555 31.823 -0.195 0.000 0.987 1218 V HN 0.679 nan 8.190 nan 0.000 0.477 1219 K N 3.611 123.937 120.400 -0.124 0.000 2.483 1219 K HA 0.492 4.811 4.320 -0.000 0.000 0.256 1219 K C -0.896 175.681 176.600 -0.039 0.000 0.961 1219 K CA -0.406 55.836 56.287 -0.074 0.000 0.873 1219 K CB 1.859 34.309 32.500 -0.082 0.000 1.107 1219 K HN 0.480 nan 8.250 nan 0.000 0.432 1220 V N 3.241 123.147 119.914 -0.012 0.000 2.529 1220 V HA 0.370 4.490 4.120 -0.000 0.000 0.292 1220 V C 0.398 176.557 176.094 0.107 0.000 1.028 1220 V CA 0.117 62.446 62.300 0.048 0.000 1.074 1220 V CB 0.503 32.345 31.823 0.032 0.000 0.958 1220 V HN 0.894 nan 8.190 nan 0.000 0.481 1221 A N 4.348 127.280 122.820 0.187 0.000 2.475 1221 A HA 0.899 5.218 4.320 -0.000 0.000 0.281 1221 A C -0.793 176.987 177.584 0.327 0.000 1.263 1221 A CA -0.517 51.641 52.037 0.202 0.000 0.776 1221 A CB 1.937 21.018 19.000 0.134 0.000 1.347 1221 A HN 0.675 nan 8.150 nan 0.000 0.443 1247 V N -0.168 119.894 119.914 0.246 0.000 2.626 1247 V HA -0.053 4.066 4.120 -0.000 0.000 0.252 1247 V C 2.034 178.209 176.094 0.135 0.000 1.067 1247 V CA 1.731 64.122 62.300 0.151 0.000 1.081 1247 V CB -0.967 30.889 31.823 0.054 0.000 0.686 1247 V HN 0.103 nan 8.190 nan 0.000 0.468 1248 K N -0.891 119.644 120.400 0.225 0.000 2.439 1248 K HA -0.017 4.303 4.320 -0.000 0.000 0.197 1248 K C 1.732 178.347 176.600 0.025 0.000 1.041 1248 K CA 1.329 57.629 56.287 0.021 0.000 0.970 1248 K CB -0.127 32.326 32.500 -0.078 0.000 0.773 1248 K HN 0.653 nan 8.250 nan 0.000 0.479 1249 W N 0.381 121.782 121.300 0.169 0.000 3.107 1249 W HA 0.225 4.884 4.660 -0.000 0.000 0.293 1249 W C 0.392 177.069 176.519 0.263 0.000 1.239 1249 W CA -0.435 57.075 57.345 0.275 0.000 1.653 1249 W CB 0.252 29.857 29.460 0.241 0.000 1.068 1249 W HN 0.000 nan 8.180 nan 0.000 0.615 1250 M N 0.731 120.487 119.600 0.260 0.000 2.233 1250 M HA 0.276 4.756 4.480 -0.000 0.000 0.350 1250 M C 0.716 176.662 176.300 -0.590 0.000 1.176 1250 M CA -0.081 55.203 55.300 -0.027 0.000 1.150 1250 M CB 0.947 33.529 32.600 -0.031 0.000 1.530 1250 M HN -0.253 nan 8.290 nan 0.000 0.459 1251 A N 3.131 125.478 122.820 -0.788 0.000 2.406 1251 A HA 0.113 4.433 4.320 -0.000 0.000 0.243 1251 A C 1.103 178.044 177.584 -1.071 0.000 1.082 1251 A CA -0.486 50.700 52.037 -1.417 0.000 0.786 1251 A CB 0.261 18.898 19.000 -0.606 0.000 1.029 1251 A HN 1.026 nan 8.150 nan 0.000 0.495 1252 L N 0.579 121.078 121.223 -1.206 0.000 2.012 1252 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 1252 L C 2.572 179.225 176.870 -0.361 0.000 1.073 1252 L CA 2.842 57.329 54.840 -0.588 0.000 0.748 1252 L CB -0.779 41.079 42.059 -0.335 0.000 0.891 1252 L HN 1.018 nan 8.230 nan 0.000 0.431 1253 E N -1.233 118.777 120.200 -0.316 0.000 2.274 1253 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 1253 E C 1.876 178.301 176.600 -0.290 0.000 0.996 1253 E CA 1.181 57.445 56.400 -0.227 0.000 0.840 1253 E CB -0.351 29.257 29.700 -0.152 0.000 0.772 1253 E HN 0.366 nan 8.360 nan 0.000 0.491 1254 S N 0.830 116.277 115.700 -0.421 0.000 2.406 1254 S HA 0.082 4.551 4.470 -0.000 0.000 0.228 1254 S C 1.916 176.284 174.600 -0.387 0.000 1.020 1254 S CA 0.499 58.356 58.200 -0.571 0.000 0.965 1254 S CB -0.134 62.569 63.200 -0.828 0.000 0.798 1254 S HN 0.231 nan 8.310 nan 0.000 0.488 1255 L N 1.385 122.424 121.223 -0.306 0.000 2.610 1255 L HA 0.026 4.365 4.340 -0.000 0.000 0.232 1255 L C 2.076 178.865 176.870 -0.136 0.000 1.149 1255 L CA 0.528 55.251 54.840 -0.194 0.000 0.872 1255 L CB -0.182 41.759 42.059 -0.197 0.000 0.992 1255 L HN 0.464 nan 8.230 nan 0.000 0.447 1256 Q N -3.495 116.219 119.800 -0.144 0.000 2.143 1256 Q HA 0.131 4.471 4.340 -0.000 0.000 0.242 1256 Q C 0.848 176.799 176.000 -0.082 0.000 0.790 1256 Q CA 0.226 55.972 55.803 -0.095 0.000 0.954 1256 Q CB 0.502 29.188 28.738 -0.088 0.000 1.155 1256 Q HN 0.116 nan 8.270 nan 0.000 0.474 1257 T N 0.359 114.848 114.554 -0.107 0.000 2.975 1257 T HA 0.038 4.388 4.350 -0.000 0.000 0.261 1257 T C -0.139 174.519 174.700 -0.069 0.000 0.984 1257 T CA 0.043 62.095 62.100 -0.081 0.000 0.911 1257 T CB 0.602 69.418 68.868 -0.086 0.000 1.127 1257 T HN 0.152 nan 8.240 nan 0.000 0.514 1258 Q N -0.245 119.494 119.800 -0.102 0.000 2.481 1258 Q HA -0.166 4.173 4.340 -0.000 0.000 0.272 1258 Q C 0.027 176.003 176.000 -0.039 0.000 1.157 1258 Q CA 1.430 57.208 55.803 -0.041 0.000 0.935 1258 Q CB -2.901 25.879 28.738 0.069 0.000 1.338 1258 Q HN 0.741 nan 8.270 nan 0.000 0.494 1259 K N 0.531 120.802 120.400 -0.215 0.000 2.265 1259 K HA 0.697 5.017 4.320 -0.000 0.000 0.267 1259 K C -0.665 175.757 176.600 -0.296 0.000 0.994 1259 K CA -0.323 55.890 56.287 -0.122 0.000 0.860 1259 K CB 0.635 33.085 32.500 -0.083 0.000 1.099 1259 K HN 0.116 nan 8.250 nan 0.000 0.448 1260 F N 1.549 121.496 119.950 -0.006 0.000 2.444 1260 F HA 0.587 5.114 4.527 -0.000 0.000 0.342 1260 F C 1.072 176.879 175.800 0.012 0.000 1.121 1260 F CA -0.323 57.681 58.000 0.007 0.000 0.997 1260 F CB 2.719 41.722 39.000 0.005 0.000 1.130 1260 F HN 0.709 nan 8.300 nan 0.000 0.454 1261 T N -3.063 111.596 114.554 0.175 0.000 2.742 1261 T HA 0.278 4.628 4.350 -0.000 0.000 0.282 1261 T C 0.989 175.793 174.700 0.173 0.000 1.025 1261 T CA 0.056 62.237 62.100 0.134 0.000 1.020 1261 T CB 1.283 70.201 68.868 0.085 0.000 1.317 1261 T HN 0.565 nan 8.240 nan 0.000 0.538 1262 T N -1.040 113.610 114.554 0.160 0.000 2.951 1262 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 1262 T C 1.591 176.426 174.700 0.225 0.000 1.073 1262 T CA 0.580 62.821 62.100 0.236 0.000 1.134 1262 T CB -0.477 68.531 68.868 0.233 0.000 0.884 1262 T HN 0.438 nan 8.240 nan 0.000 0.479 1263 K N 1.238 121.720 120.400 0.136 0.000 2.147 1263 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 1263 K C 2.633 179.338 176.600 0.176 0.000 1.049 1263 K CA 1.140 57.488 56.287 0.102 0.000 0.936 1263 K CB -0.923 31.619 32.500 0.070 0.000 0.722 1263 K HN 0.465 nan 8.250 nan 0.000 0.446 1264 S N 1.291 117.100 115.700 0.181 0.000 2.383 1264 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 1264 S C 1.359 176.165 174.600 0.344 0.000 1.026 1264 S CA 1.189 59.507 58.200 0.197 0.000 0.981 1264 S CB -0.023 63.243 63.200 0.110 0.000 0.818 1264 S HN 0.190 nan 8.310 nan 0.000 0.472 1265 D N 0.850 121.477 120.400 0.377 0.000 2.117 1265 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 1265 D C 2.094 178.731 176.300 0.561 0.000 0.982 1265 D CA 1.013 55.307 54.000 0.491 0.000 0.828 1265 D CB -0.591 40.528 40.800 0.532 0.000 0.967 1265 D HN 0.260 nan 8.370 nan 0.000 0.464 1266 V N 1.151 121.253 119.914 0.313 0.000 2.324 1266 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 1266 V C 2.190 178.483 176.094 0.332 0.000 1.060 1266 V CA 1.482 63.790 62.300 0.012 0.000 1.042 1266 V CB -0.477 31.194 31.823 -0.254 0.000 0.650 1266 V HN 0.396 nan 8.190 nan 0.000 0.450 1267 W N 1.084 122.536 121.300 0.255 0.000 2.354 1267 W HA -0.200 4.460 4.660 -0.000 0.000 0.315 1267 W C 2.615 179.434 176.519 0.501 0.000 1.206 1267 W CA 2.199 59.784 57.345 0.400 0.000 1.290 1267 W CB -0.644 29.015 29.460 0.333 0.000 1.152 1267 W HN 0.335 nan 8.180 nan 0.000 0.489 1268 S N 0.708 116.907 115.700 0.832 0.000 2.383 1268 S HA -0.235 4.234 4.470 -0.000 0.000 0.229 1268 S C 1.566 176.554 174.600 0.646 0.000 1.030 1268 S CA 1.605 60.261 58.200 0.760 0.000 1.002 1268 S CB -1.054 62.527 63.200 0.636 0.000 0.829 1268 S HN 0.330 nan 8.310 nan 0.000 0.467 1269 F N 2.680 122.891 119.950 0.434 0.000 2.095 1269 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 1269 F C 2.286 178.238 175.800 0.253 0.000 1.104 1269 F CA 1.342 59.549 58.000 0.344 0.000 1.232 1269 F CB -1.046 38.197 39.000 0.405 0.000 0.987 1269 F HN 0.209 nan 8.300 nan 0.000 0.475 1270 G N 0.055 108.940 108.800 0.143 0.000 2.440 1270 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 1270 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 1270 G C 1.704 176.736 174.900 0.221 0.000 1.154 1270 G CA 1.380 46.367 45.100 -0.189 0.000 0.767 1270 G HN 0.362 nan 8.290 nan 0.000 0.552 1271 V N 0.846 121.079 119.914 0.531 0.000 2.515 1271 V HA -0.093 4.027 4.120 -0.000 0.000 0.250 1271 V C 2.633 178.931 176.094 0.340 0.000 1.058 1271 V CA 1.508 64.037 62.300 0.382 0.000 1.064 1271 V CB -0.390 31.445 31.823 0.021 0.000 0.675 1271 V HN 0.415 nan 8.190 nan 0.000 0.461 1272 L N -0.652 120.761 121.223 0.315 0.000 2.027 1272 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 1272 L C 2.367 179.280 176.870 0.071 0.000 1.074 1272 L CA 1.621 56.607 54.840 0.244 0.000 0.745 1272 L CB -0.197 41.969 42.059 0.178 0.000 0.898 1272 L HN 0.207 nan 8.230 nan 0.000 0.433 1273 L N -1.269 119.860 121.223 -0.157 0.000 2.043 1273 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 1273 L C 2.398 179.292 176.870 0.041 0.000 1.075 1273 L CA 2.052 56.794 54.840 -0.163 0.000 0.752 1273 L CB -0.683 41.177 42.059 -0.332 0.000 0.891 1273 L HN 0.534 nan 8.230 nan 0.000 0.432 1274 W N 1.252 122.551 121.300 -0.001 0.000 2.338 1274 W HA -0.234 4.426 4.660 -0.000 0.000 0.304 1274 W C 2.476 179.014 176.519 0.031 0.000 1.212 1274 W CA 1.902 59.283 57.345 0.060 0.000 1.264 1274 W CB -0.046 29.501 29.460 0.144 0.000 1.142 1274 W HN 0.115 nan 8.180 nan 0.000 0.512 1275 E N -0.045 120.344 120.200 0.315 0.000 2.085 1275 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 1275 E C 2.183 178.799 176.600 0.028 0.000 0.994 1275 E CA 1.810 58.328 56.400 0.198 0.000 0.801 1275 E CB -0.675 29.219 29.700 0.323 0.000 0.743 1275 E HN 0.366 nan 8.360 nan 0.000 0.453 1276 L N 0.190 121.437 121.223 0.039 0.000 2.017 1276 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 1276 L C 2.501 179.345 176.870 -0.042 0.000 1.073 1276 L CA 0.786 55.648 54.840 0.037 0.000 0.745 1276 L CB -0.351 41.745 42.059 0.062 0.000 0.894 1276 L HN 0.230 nan 8.230 nan 0.000 0.432 1277 M N -0.536 118.989 119.600 -0.125 0.000 2.296 1277 M HA -0.082 4.397 4.480 -0.000 0.000 0.265 1277 M C 2.250 178.410 176.300 -0.234 0.000 1.064 1277 M CA 1.711 56.911 55.300 -0.167 0.000 1.109 1277 M CB -1.637 30.853 32.600 -0.184 0.000 1.396 1277 M HN 0.389 nan 8.290 nan 0.000 0.430 1278 T N -3.028 111.289 114.554 -0.396 0.000 3.129 1278 T HA 0.185 4.534 4.350 -0.000 0.000 0.251 1278 T C 0.840 175.429 174.700 -0.185 0.000 1.117 1278 T CA -0.222 61.631 62.100 -0.412 0.000 1.034 1278 T CB -0.186 68.190 68.868 -0.820 0.000 0.968 1278 T HN 0.434 nan 8.240 nan 0.000 0.526 1279 R N 0.539 120.979 120.500 -0.100 0.000 3.525 1279 R HA -0.155 4.185 4.340 -0.000 0.000 0.276 1279 R C 0.964 177.269 176.300 0.009 0.000 1.116 1279 R CA 0.423 56.514 56.100 -0.015 0.000 0.745 1279 R CB -2.194 28.103 30.300 -0.006 0.000 1.185 1279 R HN 0.943 nan 8.270 nan 0.000 0.454 1280 G N -1.797 107.012 108.800 0.014 0.000 2.140 1280 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.211 1280 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.211 1280 G C 0.149 175.102 174.900 0.089 0.000 1.013 1280 G CA 0.070 45.217 45.100 0.078 0.000 0.705 1280 G HN 0.786 nan 8.290 nan 0.000 0.508 1281 A N 0.809 123.657 122.820 0.046 0.000 2.425 1281 A HA 0.682 5.001 4.320 -0.000 0.000 0.249 1281 A C -1.092 176.648 177.584 0.260 0.000 1.084 1281 A CA -0.698 51.401 52.037 0.103 0.000 0.781 1281 A CB 0.288 19.300 19.000 0.021 0.000 1.019 1281 A HN 0.298 nan 8.150 nan 0.000 0.490 1282 P HA 0.266 nan 4.420 nan 0.000 0.271 1282 P C -2.717 174.651 177.300 0.113 0.000 1.220 1282 P CA -1.006 62.208 63.100 0.189 0.000 0.768 1282 P CB 0.074 31.852 31.700 0.129 0.000 0.848 1283 P HA 0.142 nan 4.420 nan 0.000 0.275 1283 P C -0.715 176.320 177.300 -0.441 0.000 1.228 1283 P CA -0.257 62.463 63.100 -0.634 0.000 0.786 1283 P CB -0.017 31.106 31.700 -0.960 0.000 0.927 1284 Y N -0.027 119.974 120.300 -0.498 0.000 3.001 1284 Y HA -0.171 4.379 4.550 -0.000 0.000 0.199 1284 Y C -1.025 174.705 175.900 -0.284 0.000 1.320 1284 Y CA -0.149 57.692 58.100 -0.432 0.000 0.974 1284 Y CB -2.421 35.703 38.460 -0.560 0.000 1.291 1284 Y HN 0.471 nan 8.280 nan 0.000 0.465 1285 P HA -0.135 nan 4.420 nan 0.000 0.220 1285 P C 0.895 178.161 177.300 -0.057 0.000 1.148 1285 P CA 1.795 64.871 63.100 -0.041 0.000 0.803 1285 P CB 0.407 32.104 31.700 -0.005 0.000 0.782 1286 D N -0.594 119.763 120.400 -0.071 0.000 2.301 1286 D HA -0.004 4.636 4.640 -0.000 0.000 0.206 1286 D C 0.789 177.016 176.300 -0.120 0.000 0.979 1286 D CA 0.259 54.219 54.000 -0.067 0.000 0.874 1286 D CB -0.194 40.590 40.800 -0.027 0.000 0.968 1286 D HN 0.052 nan 8.370 nan 0.000 0.510 1287 V N 1.538 121.326 119.914 -0.210 0.000 2.530 1287 V HA 0.224 4.344 4.120 -0.000 0.000 0.282 1287 V C -0.390 175.488 176.094 -0.361 0.000 1.048 1287 V CA -0.712 61.398 62.300 -0.317 0.000 0.997 1287 V CB 0.532 32.004 31.823 -0.586 0.000 0.987 1287 V HN -0.076 nan 8.190 nan 0.000 0.477 1288 N N 3.934 122.362 118.700 -0.452 0.000 2.503 1288 N HA 0.199 4.939 4.740 -0.000 0.000 0.267 1288 N C 1.316 176.368 175.510 -0.763 0.000 1.214 1288 N CA 0.560 53.200 53.050 -0.683 0.000 0.959 1288 N CB 0.983 38.782 38.487 -1.146 0.000 1.142 1288 N HN 0.824 nan 8.380 nan 0.000 0.455 1289 T N 0.202 114.405 114.554 -0.586 0.000 2.721 1289 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 1289 T C 1.314 175.866 174.700 -0.245 0.000 1.038 1289 T CA 1.899 63.814 62.100 -0.310 0.000 1.145 1289 T CB -0.507 68.309 68.868 -0.087 0.000 0.858 1289 T HN 0.542 nan 8.240 nan 0.000 0.459 1290 F N 0.691 120.610 119.950 -0.052 0.000 2.293 1290 F HA 0.270 4.797 4.527 -0.000 0.000 0.297 1290 F C 2.072 177.835 175.800 -0.061 0.000 1.089 1290 F CA 0.479 58.450 58.000 -0.047 0.000 1.377 1290 F CB -0.706 38.276 39.000 -0.030 0.000 1.051 1290 F HN 0.075 nan 8.300 nan 0.000 0.511 1291 D N 1.069 121.338 120.400 -0.218 0.000 2.347 1291 D HA -0.048 4.592 4.640 -0.000 0.000 0.215 1291 D C 2.382 178.605 176.300 -0.129 0.000 0.976 1291 D CA 0.454 54.396 54.000 -0.096 0.000 0.884 1291 D CB -0.020 40.687 40.800 -0.156 0.000 0.915 1291 D HN 0.247 nan 8.370 nan 0.000 0.526 1292 I N 1.491 121.918 120.570 -0.238 0.000 2.264 1292 I HA -0.231 3.938 4.170 -0.000 0.000 0.248 1292 I C 2.070 178.094 176.117 -0.155 0.000 1.111 1292 I CA 1.232 62.346 61.300 -0.310 0.000 1.382 1292 I CB -0.892 36.862 38.000 -0.410 0.000 1.060 1292 I HN 0.003 nan 8.210 nan 0.000 0.418 1293 T N 1.063 115.557 114.554 -0.099 0.000 2.708 1293 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 1293 T C 2.015 176.699 174.700 -0.028 0.000 1.037 1293 T CA 1.886 63.944 62.100 -0.071 0.000 1.146 1293 T CB -0.744 68.091 68.868 -0.054 0.000 0.865 1293 T HN 0.396 nan 8.240 nan 0.000 0.435 1294 V N -0.569 119.346 119.914 0.002 0.000 2.515 1294 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 1294 V C 2.127 178.238 176.094 0.028 0.000 1.058 1294 V CA 1.262 63.571 62.300 0.014 0.000 1.064 1294 V CB -1.324 30.514 31.823 0.025 0.000 0.675 1294 V HN 0.476 nan 8.190 nan 0.000 0.461 1295 Y N 1.178 121.417 120.300 -0.101 0.000 2.181 1295 Y HA -0.122 4.428 4.550 -0.000 0.000 0.288 1295 Y C 2.168 178.010 175.900 -0.096 0.000 1.146 1295 Y CA 2.289 60.322 58.100 -0.111 0.000 1.164 1295 Y CB -0.101 38.250 38.460 -0.181 0.000 0.982 1295 Y HN 0.252 nan 8.280 nan 0.000 0.515 1296 L N -0.808 120.464 121.223 0.081 0.000 2.240 1296 L HA -0.141 4.198 4.340 -0.000 0.000 0.211 1296 L C 2.276 179.150 176.870 0.007 0.000 1.106 1296 L CA 0.505 55.375 54.840 0.049 0.000 0.793 1296 L CB -0.417 41.696 42.059 0.089 0.000 0.927 1296 L HN 0.266 nan 8.230 nan 0.000 0.446 1297 L N -0.596 120.620 121.223 -0.013 0.000 2.056 1297 L HA -0.220 4.120 4.340 -0.000 0.000 0.207 1297 L C 2.661 179.508 176.870 -0.038 0.000 1.078 1297 L CA 1.281 56.111 54.840 -0.018 0.000 0.749 1297 L CB -0.329 41.718 42.059 -0.020 0.000 0.901 1297 L HN 0.315 nan 8.230 nan 0.000 0.433 1298 Q N -0.644 119.113 119.800 -0.071 0.000 2.135 1298 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 1298 Q C 1.537 177.471 176.000 -0.109 0.000 0.981 1298 Q CA 1.371 57.115 55.803 -0.099 0.000 0.856 1298 Q CB -0.014 28.636 28.738 -0.147 0.000 0.902 1298 Q HN 0.678 nan 8.270 nan 0.000 0.425 1299 G N -0.253 108.470 108.800 -0.128 0.000 2.260 1299 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.179 1299 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.179 1299 G C -0.202 174.616 174.900 -0.137 0.000 1.002 1299 G CA -0.545 44.496 45.100 -0.098 0.000 0.677 1299 G HN 0.100 nan 8.290 nan 0.000 0.486 1300 R N 1.164 121.493 120.500 -0.284 0.000 2.401 1300 R HA 0.531 4.871 4.340 -0.000 0.000 0.299 1300 R C 0.520 176.733 176.300 -0.144 0.000 1.064 1300 R CA 0.030 55.926 56.100 -0.340 0.000 1.000 1300 R CB 0.439 30.261 30.300 -0.798 0.000 0.973 1300 R HN 0.099 nan 8.270 nan 0.000 0.438 1301 R N 2.377 122.860 120.500 -0.030 0.000 2.875 1301 R HA 0.368 4.707 4.340 -0.000 0.000 0.251 1301 R C -0.211 176.073 176.300 -0.027 0.000 1.123 1301 R CA -1.216 54.866 56.100 -0.031 0.000 1.064 1301 R CB 0.616 30.930 30.300 0.024 0.000 1.205 1301 R HN 0.412 nan 8.270 nan 0.000 0.503 1302 L N 1.840 122.864 121.223 -0.331 0.000 2.490 1302 L HA 0.100 4.440 4.340 -0.000 0.000 0.274 1302 L C 0.597 177.510 176.870 0.071 0.000 1.201 1302 L CA 0.202 54.776 54.840 -0.444 0.000 0.869 1302 L CB 0.019 41.377 42.059 -1.169 0.000 1.123 1302 L HN 0.211 nan 8.230 nan 0.000 0.484 1303 L N 2.724 123.996 121.223 0.082 0.000 2.473 1303 L HA 0.091 4.430 4.340 -0.000 0.000 0.268 1303 L C 0.653 177.558 176.870 0.059 0.000 1.215 1303 L CA -0.157 54.747 54.840 0.107 0.000 0.823 1303 L CB 0.244 42.335 42.059 0.053 0.000 1.099 1303 L HN 0.629 nan 8.230 nan 0.000 0.483 1304 Q N 2.625 122.143 119.800 -0.469 0.000 2.255 1304 Q HA 0.123 4.463 4.340 -0.000 0.000 0.280 1304 Q C -2.197 173.612 176.000 -0.318 0.000 1.068 1304 Q CA -1.317 53.978 55.803 -0.847 0.000 0.911 1304 Q CB 0.729 28.823 28.738 -1.073 0.000 1.157 1304 Q HN 0.247 nan 8.270 nan 0.000 0.380 1305 P HA -0.095 nan 4.420 nan 0.000 0.267 1305 P C -0.069 177.053 177.300 -0.297 0.000 1.200 1305 P CA 0.143 63.052 63.100 -0.317 0.000 0.772 1305 P CB 0.640 32.075 31.700 -0.441 0.000 0.855 1306 E N 1.178 121.173 120.200 -0.342 0.000 2.130 1306 E HA -0.222 4.127 4.350 -0.000 0.000 0.196 1306 E C -0.060 176.096 176.600 -0.740 0.000 0.998 1306 E CA 1.431 57.495 56.400 -0.559 0.000 0.806 1306 E CB -0.094 29.196 29.700 -0.684 0.000 0.738 1306 E HN 0.554 nan 8.360 nan 0.000 0.459 1307 Y N -1.125 119.099 120.300 -0.127 0.000 2.699 1307 Y HA 0.242 4.792 4.550 -0.000 0.000 0.282 1307 Y C -0.377 175.456 175.900 -0.111 0.000 1.058 1307 Y CA -0.973 57.066 58.100 -0.101 0.000 1.194 1307 Y CB 0.802 39.205 38.460 -0.096 0.000 1.193 1307 Y HN -0.006 nan 8.280 nan 0.000 0.562 1308 C N 3.068 122.342 119.300 -0.044 0.000 2.281 1308 C HA 0.579 5.039 4.460 -0.000 0.000 0.325 1308 C C -2.283 172.716 174.990 0.014 0.000 1.282 1308 C CA -2.650 56.347 59.018 -0.035 0.000 1.640 1308 C CB -0.018 27.680 27.740 -0.070 0.000 2.288 1308 C HN 0.264 nan 8.230 nan 0.000 0.507 1309 P HA 0.122 nan 4.420 nan 0.000 0.268 1309 P C 0.304 177.678 177.300 0.122 0.000 1.208 1309 P CA 0.330 63.510 63.100 0.133 0.000 0.777 1309 P CB 0.686 32.534 31.700 0.247 0.000 0.875 1310 D N 2.543 123.012 120.400 0.116 0.000 2.097 1310 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 1310 D C -0.615 175.760 176.300 0.124 0.000 0.989 1310 D CA 1.844 55.919 54.000 0.125 0.000 0.827 1310 D CB -1.909 38.946 40.800 0.090 0.000 0.966 1310 D HN 0.427 nan 8.370 nan 0.000 0.456 1311 P HA -0.096 nan 4.420 nan 0.000 0.220 1311 P C 1.760 179.101 177.300 0.069 0.000 1.148 1311 P CA 0.675 63.821 63.100 0.076 0.000 0.803 1311 P CB 0.139 31.888 31.700 0.082 0.000 0.782 1312 L N -1.491 119.790 121.223 0.096 0.000 2.131 1312 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 1312 L C 2.610 179.513 176.870 0.054 0.000 1.087 1312 L CA 1.424 56.304 54.840 0.067 0.000 0.767 1312 L CB -1.483 40.617 42.059 0.068 0.000 0.917 1312 L HN -0.181 nan 8.230 nan 0.000 0.441 1313 Y N 0.474 120.756 120.300 -0.029 0.000 2.274 1313 Y HA -0.235 4.314 4.550 -0.000 0.000 0.290 1313 Y C 2.475 178.327 175.900 -0.079 0.000 1.145 1313 Y CA 1.833 59.908 58.100 -0.041 0.000 1.203 1313 Y CB -0.192 38.273 38.460 0.007 0.000 0.984 1313 Y HN 0.434 nan 8.280 nan 0.000 0.533 1314 E N -0.003 120.124 120.200 -0.122 0.000 2.058 1314 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 1314 E C 2.174 178.628 176.600 -0.243 0.000 0.997 1314 E CA 1.976 58.260 56.400 -0.193 0.000 0.801 1314 E CB -0.814 28.847 29.700 -0.065 0.000 0.746 1314 E HN 0.276 nan 8.360 nan 0.000 0.450 1315 V N 0.743 120.552 119.914 -0.174 0.000 2.252 1315 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 1315 V C 2.553 178.423 176.094 -0.372 0.000 1.056 1315 V CA 2.477 64.666 62.300 -0.185 0.000 1.022 1315 V CB -0.581 31.195 31.823 -0.079 0.000 0.641 1315 V HN 0.381 nan 8.190 nan 0.000 0.445 1316 M N -0.950 118.336 119.600 -0.522 0.000 2.082 1316 M HA -0.255 4.225 4.480 -0.000 0.000 0.258 1316 M C 2.190 177.686 176.300 -1.339 0.000 1.069 1316 M CA 2.053 56.719 55.300 -1.056 0.000 1.102 1316 M CB -0.653 31.332 32.600 -1.025 0.000 1.336 1316 M HN 0.263 nan 8.290 nan 0.000 0.404 1317 L N -0.178 120.527 121.223 -0.864 0.000 2.042 1317 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 1317 L C 2.564 179.227 176.870 -0.345 0.000 1.076 1317 L CA 1.415 55.946 54.840 -0.515 0.000 0.749 1317 L CB -0.644 41.149 42.059 -0.443 0.000 0.893 1317 L HN 0.309 nan 8.230 nan 0.000 0.432 1318 K N -0.653 119.564 120.400 -0.306 0.000 2.057 1318 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 1318 K C 2.096 178.601 176.600 -0.160 0.000 1.049 1318 K CA 1.648 57.847 56.287 -0.148 0.000 0.931 1318 K CB -0.347 32.083 32.500 -0.116 0.000 0.714 1318 K HN 0.407 nan 8.250 nan 0.000 0.440 1319 C N -0.285 118.796 119.300 -0.366 0.000 2.422 1319 C HA -0.081 4.379 4.460 -0.000 0.000 0.286 1319 C C 1.410 176.234 174.990 -0.277 0.000 1.412 1319 C CA 0.058 58.867 59.018 -0.348 0.000 1.786 1319 C CB -0.876 26.567 27.740 -0.494 0.000 1.835 1319 C HN 0.556 nan 8.230 nan 0.000 0.533 1320 W N -0.398 120.683 121.300 -0.366 0.000 3.102 1320 W HA 0.291 4.951 4.660 -0.000 0.000 0.401 1320 W C 0.851 177.243 176.519 -0.212 0.000 1.070 1320 W CA -0.781 56.112 57.345 -0.752 0.000 1.921 1320 W CB -1.400 27.458 29.460 -1.003 0.000 1.118 1320 W HN 0.373 nan 8.180 nan 0.000 0.647 1321 H N 4.023 123.153 119.070 0.101 0.000 3.046 1321 H HA 0.013 4.569 4.556 -0.000 0.000 0.303 1321 H C -1.105 174.379 175.328 0.260 0.000 1.002 1321 H CA -0.885 55.243 56.048 0.135 0.000 1.460 1321 H CB 1.279 31.079 29.762 0.063 0.000 1.493 1321 H HN -0.103 nan 8.280 nan 0.000 0.559 1322 P HA -0.110 nan 4.420 nan 0.000 0.219 1322 P C 0.178 177.648 177.300 0.284 0.000 1.146 1322 P CA 1.208 64.527 63.100 0.366 0.000 0.808 1322 P CB 0.120 31.956 31.700 0.227 0.000 0.779 1323 K N 0.458 121.055 120.400 0.327 0.000 2.273 1323 K HA 0.572 4.891 4.320 -0.000 0.000 0.287 1323 K C 1.456 178.071 176.600 0.025 0.000 1.089 1323 K CA 0.277 56.623 56.287 0.098 0.000 0.909 1323 K CB -0.432 32.069 32.500 0.002 0.000 1.123 1323 K HN 0.078 nan 8.250 nan 0.000 0.473 1324 A N 1.926 124.775 122.820 0.049 0.000 1.915 1324 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 1324 A C 1.975 179.559 177.584 -0.000 0.000 1.198 1324 A CA 2.169 54.236 52.037 0.049 0.000 0.647 1324 A CB -0.174 18.846 19.000 0.033 0.000 0.825 1324 A HN 0.944 nan 8.150 nan 0.000 0.456 1325 E N -0.492 119.687 120.200 -0.036 0.000 2.347 1325 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 1325 E C 1.676 178.214 176.600 -0.102 0.000 1.008 1325 E CA 1.018 57.386 56.400 -0.053 0.000 0.852 1325 E CB -0.437 29.238 29.700 -0.042 0.000 0.783 1325 E HN 0.616 nan 8.360 nan 0.000 0.505 1326 M N 0.935 120.418 119.600 -0.196 0.000 2.419 1326 M HA 0.081 4.561 4.480 -0.000 0.000 0.264 1326 M C 0.958 177.134 176.300 -0.206 0.000 1.082 1326 M CA 0.456 55.562 55.300 -0.323 0.000 1.119 1326 M CB -0.367 31.718 32.600 -0.857 0.000 1.398 1326 M HN -0.040 nan 8.290 nan 0.000 0.453 1327 R N 1.408 121.844 120.500 -0.106 0.000 2.734 1327 R HA 0.101 4.441 4.340 -0.000 0.000 0.266 1327 R C -2.120 174.134 176.300 -0.077 0.000 1.044 1327 R CA -1.076 55.001 56.100 -0.039 0.000 1.128 1327 R CB -0.440 29.869 30.300 0.015 0.000 1.010 1327 R HN 0.061 nan 8.270 nan 0.000 0.461 1328 P HA 0.022 nan 4.420 nan 0.000 0.274 1328 P C -0.725 176.470 177.300 -0.175 0.000 1.246 1328 P CA -0.449 62.583 63.100 -0.113 0.000 0.795 1328 P CB 0.971 32.607 31.700 -0.107 0.000 1.006 1329 S N 0.022 115.641 115.700 -0.135 0.000 2.632 1329 S HA 0.254 4.724 4.470 -0.000 0.000 0.271 1329 S C 0.977 175.470 174.600 -0.178 0.000 1.260 1329 S CA -0.376 57.740 58.200 -0.141 0.000 1.010 1329 S CB -0.044 63.136 63.200 -0.034 0.000 0.965 1329 S HN 0.215 nan 8.310 nan 0.000 0.534 1330 F N 1.188 121.083 119.950 -0.092 0.000 2.269 1330 F HA -0.039 4.488 4.527 -0.000 0.000 0.301 1330 F C 2.957 178.688 175.800 -0.115 0.000 1.082 1330 F CA 1.423 59.323 58.000 -0.167 0.000 1.360 1330 F CB -0.669 38.215 39.000 -0.195 0.000 1.041 1330 F HN 0.742 nan 8.300 nan 0.000 0.512 1331 S N -0.206 115.552 115.700 0.098 0.000 2.383 1331 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 1331 S C 1.963 176.583 174.600 0.034 0.000 1.026 1331 S CA 1.566 59.802 58.200 0.060 0.000 0.981 1331 S CB -0.204 63.026 63.200 0.050 0.000 0.818 1331 S HN 0.489 nan 8.310 nan 0.000 0.472 1332 E N 0.490 120.695 120.200 0.008 0.000 2.107 1332 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 1332 E C 2.104 178.706 176.600 0.003 0.000 0.982 1332 E CA 0.991 57.391 56.400 -0.000 0.000 0.809 1332 E CB -0.191 29.497 29.700 -0.020 0.000 0.756 1332 E HN 0.462 nan 8.360 nan 0.000 0.459 1333 L N 0.481 121.691 121.223 -0.021 0.000 2.042 1333 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 1333 L C 2.401 179.301 176.870 0.051 0.000 1.076 1333 L CA 0.723 55.563 54.840 0.001 0.000 0.749 1333 L CB -0.409 41.598 42.059 -0.086 0.000 0.893 1333 L HN 0.069 nan 8.230 nan 0.000 0.432 1334 V N -1.086 118.854 119.914 0.044 0.000 2.255 1334 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 1334 V C 2.621 178.754 176.094 0.065 0.000 1.051 1334 V CA 2.113 64.447 62.300 0.058 0.000 1.018 1334 V CB -0.431 31.423 31.823 0.052 0.000 0.641 1334 V HN 0.364 nan 8.190 nan 0.000 0.445 1335 S N -1.017 114.717 115.700 0.056 0.000 2.353 1335 S HA -0.266 4.204 4.470 -0.000 0.000 0.222 1335 S C 2.154 176.795 174.600 0.068 0.000 1.035 1335 S CA 2.184 60.418 58.200 0.058 0.000 1.025 1335 S CB -0.311 62.916 63.200 0.044 0.000 0.902 1335 S HN 0.503 nan 8.310 nan 0.000 0.440 1336 R N 0.527 121.064 120.500 0.062 0.000 2.062 1336 R HA 0.095 4.435 4.340 -0.000 0.000 0.231 1336 R C 2.158 178.518 176.300 0.101 0.000 1.136 1336 R CA 1.361 57.502 56.100 0.068 0.000 0.948 1336 R CB -0.332 29.996 30.300 0.047 0.000 0.845 1336 R HN 0.389 nan 8.270 nan 0.000 0.430 1337 I N 0.109 120.749 120.570 0.116 0.000 2.361 1337 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 1337 I C 2.386 178.612 176.117 0.181 0.000 1.133 1337 I CA 1.023 62.414 61.300 0.151 0.000 1.413 1337 I CB -0.291 37.810 38.000 0.168 0.000 1.073 1337 I HN 0.252 nan 8.210 nan 0.000 0.424 1338 S N 0.628 116.417 115.700 0.148 0.000 2.368 1338 S HA -0.181 4.288 4.470 -0.000 0.000 0.225 1338 S C 2.241 176.984 174.600 0.239 0.000 1.030 1338 S CA 1.481 59.790 58.200 0.181 0.000 0.999 1338 S CB -0.158 63.115 63.200 0.123 0.000 0.844 1338 S HN 0.490 nan 8.310 nan 0.000 0.459 1339 A N 1.555 124.474 122.820 0.165 0.000 1.858 1339 A HA -0.004 4.315 4.320 -0.000 0.000 0.216 1339 A C 2.111 179.792 177.584 0.162 0.000 1.190 1339 A CA 1.549 53.668 52.037 0.136 0.000 0.617 1339 A CB -0.875 18.178 19.000 0.089 0.000 0.827 1339 A HN 0.608 nan 8.150 nan 0.000 0.443 1340 I N -1.601 119.084 120.570 0.191 0.000 2.208 1340 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 1340 I C 2.410 178.759 176.117 0.387 0.000 1.097 1340 I CA 1.931 63.380 61.300 0.248 0.000 1.363 1340 I CB -0.391 37.749 38.000 0.234 0.000 1.051 1340 I HN 0.501 nan 8.210 nan 0.000 0.413 1341 F N 1.999 122.069 119.950 0.200 0.000 2.234 1341 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 1341 F C 2.693 178.619 175.800 0.209 0.000 1.087 1341 F CA 1.590 59.706 58.000 0.194 0.000 1.340 1341 F CB -0.279 38.776 39.000 0.092 0.000 1.031 1341 F HN 0.088 nan 8.300 nan 0.000 0.500 1342 S N -1.126 114.650 115.700 0.127 0.000 2.481 1342 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 1342 S C 1.823 176.371 174.600 -0.086 0.000 0.996 1342 S CA 0.934 59.121 58.200 -0.022 0.000 0.942 1342 S CB -1.452 61.807 63.200 0.098 0.000 0.768 1342 S HN 0.562 nan 8.310 nan 0.000 0.520 1343 T N -1.483 113.032 114.554 -0.064 0.000 3.148 1343 T HA 0.311 4.661 4.350 -0.000 0.000 0.253 1343 T C -0.009 174.442 174.700 -0.415 0.000 1.134 1343 T CA -0.341 61.627 62.100 -0.220 0.000 1.051 1343 T CB -0.696 68.008 68.868 -0.273 0.000 0.959 1343 T HN 0.280 nan 8.240 nan 0.000 0.525 1344 F N 0.703 120.521 119.950 -0.220 0.000 2.492 1344 F HA 0.680 5.206 4.527 -0.000 0.000 0.327 1344 F C 0.121 175.758 175.800 -0.272 0.000 1.079 1344 F CA -1.656 56.206 58.000 -0.230 0.000 0.967 1344 F CB 1.508 40.364 39.000 -0.240 0.000 1.169 1344 F HN -0.038 nan 8.300 nan 0.000 0.472 1345 I N 1.240 121.801 120.570 -0.015 0.000 2.693 1345 I HA 0.770 4.940 4.170 -0.000 0.000 0.303 1345 I C -0.061 176.012 176.117 -0.073 0.000 1.025 1345 I CA -1.035 60.219 61.300 -0.075 0.000 1.086 1345 I CB 1.998 39.953 38.000 -0.074 0.000 1.268 1345 I HN 0.698 nan 8.210 nan 0.000 0.440 1346 G N 3.421 112.147 108.800 -0.123 0.000 2.992 1346 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.677 1346 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.677 1346 G C -1.107 173.633 174.900 -0.267 0.000 1.191 1346 G CA -0.844 44.145 45.100 -0.186 0.000 1.178 1346 G HN 0.651 nan 8.290 nan 0.000 0.506 1347 E N 0.604 120.640 120.200 -0.273 0.000 2.256 1347 E HA 0.447 4.797 4.350 -0.000 0.000 0.268 1347 E C 0.237 176.653 176.600 -0.306 0.000 0.877 1347 E CA -0.863 55.377 56.400 -0.267 0.000 0.757 1347 E CB 1.623 31.260 29.700 -0.106 0.000 1.183 1347 E HN 0.681 nan 8.360 nan 0.000 0.418 1348 H N 1.361 120.262 119.070 -0.282 0.000 2.648 1348 H HA 0.137 4.693 4.556 -0.000 0.000 0.265 1348 H C -0.535 174.285 175.328 -0.846 0.000 0.961 1348 H CA 0.236 55.965 56.048 -0.531 0.000 1.185 1348 H CB 0.568 29.942 29.762 -0.647 0.000 1.449 1348 H HN 0.381 nan 8.280 nan 0.000 0.523 1349 Y N 1.288 121.503 120.300 -0.140 0.000 2.402 1349 Y HA 0.273 4.823 4.550 -0.000 0.000 0.325 1349 Y C -0.537 175.279 175.900 -0.139 0.000 1.009 1349 Y CA -1.346 56.536 58.100 -0.364 0.000 1.278 1349 Y CB 1.214 39.331 38.460 -0.571 0.000 1.105 1349 Y HN -0.139 nan 8.280 nan 0.000 0.476 1350 V N -0.070 119.903 119.914 0.098 0.000 2.465 1350 V HA 0.406 4.526 4.120 -0.000 0.000 0.279 1350 V C 0.225 176.501 176.094 0.304 0.000 1.045 1350 V CA -0.500 61.904 62.300 0.173 0.000 0.938 1350 V CB 0.988 32.884 31.823 0.122 0.000 0.986 1350 V HN 0.870 nan 8.190 nan 0.000 0.467 1351 H N 0.000 119.179 119.070 0.182 0.000 2.539 1351 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1351 H CA 0.000 56.156 56.048 0.181 0.000 1.023 1351 H CB 0.000 29.848 29.762 0.143 0.000 1.292 1351 H HN 0.000 nan 8.280 nan 0.000 0.496