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 3cth_1_A DATA FIRST_RESID 1052 DATA SEQUENCE HIDLSALNPE LVQAVQHVVI GPSSLIVHFN EVIGRGHFGC VYHGTLLDND DATA SEQUENCE GKKIHCAVKS LNRITDIGEV SQFLTEGIIM KDFSHPNVLS LLGICLRSEG DATA SEQUENCE SPLVVLPYMK HGDLRNFIRN ETHNPTVKDL IGFGLQVAKG MKFLASKKFV DATA SEQUENCE HRDLAARNCM LDEKFTVKVA DFGXXXXXXX XXXXXXXNKT GAKLPVKWMA DATA SEQUENCE LESLQTQKFT TKSDVWSFGV LLWELMTRGA PPYPDVNTFD ITVYLLQGRR DATA SEQUENCE LLQPEYCPDP LYEVMLKCWH PKAEMRPSFS ELVSRISAIF STFIGEHYVH DATA SEQUENCE VNATYVNVK 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 1052 H HA 0.000 nan 4.556 nan 0.000 0.296 1052 H C 0.000 175.331 175.328 0.004 0.000 0.993 1052 H CA 0.000 56.051 56.048 0.005 0.000 1.023 1052 H CB 0.000 29.764 29.762 0.004 0.000 1.292 1053 I N 1.503 122.142 120.570 0.115 0.000 2.499 1053 I HA 0.201 4.370 4.170 -0.001 0.000 0.288 1053 I C -0.551 175.594 176.117 0.047 0.000 1.048 1053 I CA -0.949 60.389 61.300 0.064 0.000 1.062 1053 I CB 1.553 39.580 38.000 0.044 0.000 1.238 1053 I HN 0.134 nan 8.210 nan 0.000 0.426 1054 D N 7.438 127.857 120.400 0.032 0.000 2.541 1054 D HA 0.007 4.647 4.640 -0.001 0.000 0.231 1054 D C 1.100 177.413 176.300 0.020 0.000 1.163 1054 D CA -0.021 53.992 54.000 0.023 0.000 1.077 1054 D CB 0.237 41.045 40.800 0.014 0.000 1.110 1054 D HN 0.415 nan 8.370 nan 0.000 0.499 1055 L N 1.459 122.696 121.223 0.024 0.000 1.932 1055 L HA -0.137 4.202 4.340 -0.001 0.000 0.217 1055 L C 1.698 178.577 176.870 0.015 0.000 1.077 1055 L CA 1.191 56.043 54.840 0.021 0.000 0.765 1055 L CB -1.658 40.415 42.059 0.023 0.000 0.888 1055 L HN 0.240 nan 8.230 nan 0.000 0.433 1056 S N -0.174 115.533 115.700 0.013 0.000 3.064 1056 S HA 0.176 4.645 4.470 -0.001 0.000 0.291 1056 S C 0.594 175.198 174.600 0.006 0.000 0.958 1056 S CA 0.626 58.830 58.200 0.008 0.000 1.775 1056 S CB -0.709 62.494 63.200 0.005 0.000 1.466 1056 S HN 0.500 nan 8.310 nan 0.000 0.636 1057 A N 3.258 126.081 122.820 0.006 0.000 2.378 1057 A HA 0.234 4.553 4.320 -0.001 0.000 0.213 1057 A C 0.826 178.413 177.584 0.006 0.000 1.712 1057 A CA -0.216 51.825 52.037 0.005 0.000 1.308 1057 A CB -0.459 18.544 19.000 0.007 0.000 1.006 1057 A HN 0.603 nan 8.150 nan 0.000 0.466 1058 L N -0.850 120.376 121.223 0.006 0.000 2.022 1058 L HA 0.409 4.748 4.340 -0.001 0.000 0.204 1058 L C 0.603 177.475 176.870 0.004 0.000 1.076 1058 L CA 1.054 55.898 54.840 0.007 0.000 0.749 1058 L CB -0.351 41.713 42.059 0.008 0.000 0.903 1058 L HN 0.309 nan 8.230 nan 0.000 0.439 1059 N N -1.329 117.373 118.700 0.002 0.000 2.718 1059 N HA 0.169 4.909 4.740 -0.001 0.000 0.260 1059 N C -2.367 173.142 175.510 -0.002 0.000 1.089 1059 N CA -0.810 52.240 53.050 0.001 0.000 1.021 1059 N CB 2.372 40.860 38.487 0.002 0.000 1.618 1059 N HN -0.153 nan 8.380 nan 0.000 0.554 1060 P HA -0.193 nan 4.420 nan 0.000 0.207 1060 P C 0.093 177.386 177.300 -0.012 0.000 0.938 1060 P CA 1.352 64.447 63.100 -0.008 0.000 0.948 1060 P CB 0.350 32.047 31.700 -0.006 0.000 0.643 1061 E N -1.489 118.706 120.200 -0.009 0.000 2.304 1061 E HA 0.195 4.545 4.350 -0.001 0.000 0.212 1061 E C 1.233 177.835 176.600 0.002 0.000 1.185 1061 E CA -0.125 56.270 56.400 -0.009 0.000 1.326 1061 E CB -0.900 28.796 29.700 -0.007 0.000 1.283 1061 E HN 0.104 nan 8.360 nan 0.000 0.440 1062 L N -1.334 119.892 121.223 0.004 0.000 2.663 1062 L HA 0.210 4.550 4.340 -0.001 0.000 0.218 1062 L C 1.088 177.966 176.870 0.013 0.000 1.043 1062 L CA 0.129 54.974 54.840 0.008 0.000 0.876 1062 L CB 0.868 42.929 42.059 0.004 0.000 1.263 1062 L HN 0.107 nan 8.230 nan 0.000 0.486 1063 V N 0.057 119.977 119.914 0.010 0.000 3.085 1063 V HA 0.077 4.196 4.120 -0.001 0.000 0.345 1063 V C 0.572 176.676 176.094 0.017 0.000 1.397 1063 V CA 0.053 62.361 62.300 0.013 0.000 1.165 1063 V CB 0.317 32.143 31.823 0.006 0.000 1.153 1063 V HN 0.546 nan 8.190 nan 0.000 0.495 1064 Q N -0.014 119.791 119.800 0.009 0.000 2.291 1064 Q HA 0.329 4.669 4.340 -0.001 0.000 0.211 1064 Q C 1.617 177.623 176.000 0.010 0.000 0.925 1064 Q CA 0.892 56.680 55.803 -0.025 0.000 0.949 1064 Q CB -0.047 28.644 28.738 -0.079 0.000 1.015 1064 Q HN 0.518 nan 8.270 nan 0.000 0.477 1065 A N 0.413 123.311 122.820 0.131 0.000 1.930 1065 A HA -0.030 4.290 4.320 -0.001 0.000 0.215 1065 A C 2.008 179.725 177.584 0.222 0.000 1.176 1065 A CA 0.800 53.020 52.037 0.306 0.000 0.632 1065 A CB -0.480 18.594 19.000 0.124 0.000 0.819 1065 A HN 0.287 nan 8.150 nan 0.000 0.445 1066 V N 1.038 121.005 119.914 0.088 0.000 2.982 1066 V HA -0.298 3.822 4.120 -0.001 0.000 0.265 1066 V C 2.347 178.485 176.094 0.073 0.000 1.122 1066 V CA 1.869 64.199 62.300 0.049 0.000 1.143 1066 V CB -1.226 30.609 31.823 0.019 0.000 0.726 1066 V HN 0.615 nan 8.190 nan 0.000 0.507 1067 Q N 0.691 120.557 119.800 0.110 0.000 1.864 1067 Q HA -0.093 4.247 4.340 -0.001 0.000 0.219 1067 Q C 1.401 177.492 176.000 0.151 0.000 0.975 1067 Q CA 1.263 57.108 55.803 0.070 0.000 0.862 1067 Q CB -0.477 28.239 28.738 -0.036 0.000 0.913 1067 Q HN 0.919 nan 8.270 nan 0.000 0.431 1068 H N -0.307 118.751 119.070 -0.021 0.000 4.757 1068 H HA 0.222 4.778 4.556 -0.001 0.000 0.167 1068 H C 0.363 175.673 175.328 -0.029 0.000 1.205 1068 H CA -0.429 55.606 56.048 -0.022 0.000 1.354 1068 H CB -0.140 29.610 29.762 -0.020 0.000 1.570 1068 H HN -0.015 nan 8.280 nan 0.000 0.884 1069 V N 0.904 120.862 119.914 0.073 0.000 3.668 1069 V HA -0.081 4.039 4.120 -0.001 0.000 0.261 1069 V C 0.505 176.596 176.094 -0.006 0.000 1.790 1069 V CA 0.037 62.327 62.300 -0.018 0.000 1.119 1069 V CB 0.708 32.493 31.823 -0.064 0.000 0.967 1069 V HN 0.438 nan 8.190 nan 0.000 0.344 1070 V N 2.320 122.247 119.914 0.021 0.000 3.133 1070 V HA 0.500 4.620 4.120 -0.001 0.000 0.305 1070 V C -0.382 175.718 176.094 0.010 0.000 1.084 1070 V CA 0.347 62.654 62.300 0.013 0.000 1.089 1070 V CB 1.549 33.384 31.823 0.020 0.000 1.073 1070 V HN 0.245 nan 8.190 nan 0.000 0.477 1071 I N 2.868 123.443 120.570 0.008 0.000 2.994 1071 I HA 0.443 4.612 4.170 -0.001 0.000 0.306 1071 I C 0.334 176.459 176.117 0.013 0.000 1.195 1071 I CA -0.400 60.905 61.300 0.009 0.000 1.001 1071 I CB 1.821 39.824 38.000 0.004 0.000 1.244 1071 I HN 0.747 nan 8.210 nan 0.000 0.437 1072 G N 2.830 111.638 108.800 0.014 0.000 2.353 1072 G HA2 0.440 4.400 3.960 -0.001 0.000 0.284 1072 G HA3 0.440 4.400 3.960 -0.001 0.000 0.284 1072 G C -2.139 172.773 174.900 0.019 0.000 1.172 1072 G CA -1.031 44.079 45.100 0.016 0.000 0.854 1072 G HN 0.371 nan 8.290 nan 0.000 0.485 1073 P HA -0.052 nan 4.420 nan 0.000 0.236 1073 P C 1.552 178.867 177.300 0.025 0.000 1.172 1073 P CA 0.689 63.807 63.100 0.029 0.000 0.759 1073 P CB 0.533 32.255 31.700 0.036 0.000 0.843 1074 S N -0.911 114.801 115.700 0.020 0.000 2.851 1074 S HA 0.059 4.528 4.470 -0.001 0.000 0.227 1074 S C 0.627 175.237 174.600 0.016 0.000 0.958 1074 S CA 0.457 58.667 58.200 0.017 0.000 0.990 1074 S CB -0.903 62.305 63.200 0.014 0.000 0.790 1074 S HN 0.095 nan 8.310 nan 0.000 0.509 1075 S N 0.154 115.865 115.700 0.019 0.000 2.857 1075 S HA 0.270 4.740 4.470 -0.001 0.000 0.238 1075 S C -0.845 173.771 174.600 0.026 0.000 0.875 1075 S CA -0.616 57.596 58.200 0.020 0.000 1.368 1075 S CB 0.265 63.475 63.200 0.016 0.000 1.238 1075 S HN 0.341 nan 8.310 nan 0.000 0.635 1076 L N 2.051 123.292 121.223 0.030 0.000 2.528 1076 L HA 0.668 5.007 4.340 -0.001 0.000 0.267 1076 L C -1.317 175.576 176.870 0.038 0.000 0.961 1076 L CA -0.571 54.292 54.840 0.039 0.000 0.866 1076 L CB 0.935 43.014 42.059 0.034 0.000 1.248 1076 L HN 0.213 nan 8.230 nan 0.000 0.404 1077 I N 4.097 124.690 120.570 0.039 0.000 3.062 1077 I HA 0.680 4.849 4.170 -0.001 0.000 0.318 1077 I C -0.567 175.535 176.117 -0.024 0.000 1.026 1077 I CA -1.228 60.066 61.300 -0.009 0.000 1.096 1077 I CB 1.783 39.734 38.000 -0.082 0.000 1.348 1077 I HN 0.299 nan 8.210 nan 0.000 0.543 1078 V N 1.412 121.257 119.914 -0.116 0.000 2.623 1078 V HA 0.261 4.381 4.120 -0.001 0.000 0.304 1078 V C -1.338 174.567 176.094 -0.315 0.000 1.054 1078 V CA -0.747 61.423 62.300 -0.216 0.000 0.882 1078 V CB 1.490 33.060 31.823 -0.422 0.000 1.002 1078 V HN 0.607 nan 8.190 nan 0.000 0.424 1079 H N 4.884 123.850 119.070 -0.173 0.000 2.700 1079 H HA 0.461 5.016 4.556 -0.001 0.000 0.269 1079 H C 0.067 175.266 175.328 -0.216 0.000 1.222 1079 H CA -0.995 55.022 56.048 -0.051 0.000 1.254 1079 H CB 0.198 29.956 29.762 -0.007 0.000 1.413 1079 H HN 0.517 nan 8.280 nan 0.000 0.507 1080 F N 0.614 120.419 119.950 -0.241 0.000 2.206 1080 F HA -0.121 4.406 4.527 -0.001 0.000 0.298 1080 F C 1.915 177.316 175.800 -0.665 0.000 1.090 1080 F CA 0.398 57.861 58.000 -0.894 0.000 1.323 1080 F CB -0.379 38.257 39.000 -0.607 0.000 1.028 1080 F HN 0.488 nan 8.300 nan 0.000 0.492 1081 N N 1.293 119.946 118.700 -0.078 0.000 2.013 1081 N HA -0.191 4.549 4.740 -0.001 0.000 0.195 1081 N C 0.142 175.626 175.510 -0.043 0.000 1.051 1081 N CA 1.165 54.183 53.050 -0.055 0.000 0.851 1081 N CB -1.162 37.317 38.487 -0.013 0.000 1.044 1081 N HN 0.296 nan 8.380 nan 0.000 0.422 1082 E N 1.558 121.744 120.200 -0.024 0.000 2.299 1082 E HA 0.280 4.630 4.350 -0.001 0.000 0.272 1082 E C 0.213 176.905 176.600 0.154 0.000 1.043 1082 E CA -0.423 55.980 56.400 0.004 0.000 0.895 1082 E CB 1.213 30.829 29.700 -0.140 0.000 1.011 1082 E HN 0.262 nan 8.360 nan 0.000 0.432 1083 V N 0.525 120.557 119.914 0.197 0.000 3.184 1083 V HA 0.612 4.731 4.120 -0.001 0.000 0.308 1083 V C 0.577 176.841 176.094 0.284 0.000 1.243 1083 V CA -0.463 62.016 62.300 0.299 0.000 1.058 1083 V CB 0.823 32.806 31.823 0.267 0.000 1.183 1083 V HN 0.791 nan 8.190 nan 0.000 0.471 1084 I N -2.854 117.852 120.570 0.226 0.000 4.342 1084 I HA 0.463 4.633 4.170 -0.001 0.000 0.284 1084 I C 1.134 177.331 176.117 0.133 0.000 1.092 1084 I CA 0.340 61.748 61.300 0.180 0.000 1.372 1084 I CB -0.117 37.995 38.000 0.187 0.000 1.929 1084 I HN 0.813 nan 8.210 nan 0.000 0.448 1085 G N 1.872 110.753 108.800 0.134 0.000 2.320 1085 G HA2 0.623 4.583 3.960 -0.001 0.000 0.300 1085 G HA3 0.623 4.583 3.960 -0.001 0.000 0.300 1085 G C -0.161 174.796 174.900 0.094 0.000 1.126 1085 G CA 0.036 45.203 45.100 0.113 0.000 0.896 1085 G HN 0.281 nan 8.290 nan 0.000 0.436 1086 R N 1.342 121.876 120.500 0.055 0.000 2.455 1086 R HA 0.134 4.474 4.340 -0.001 0.000 0.256 1086 R C 1.574 177.889 176.300 0.025 0.000 0.804 1086 R CA 0.318 56.446 56.100 0.046 0.000 0.986 1086 R CB -0.401 29.934 30.300 0.057 0.000 1.350 1086 R HN 0.630 nan 8.270 nan 0.000 0.632 1087 G N -0.949 107.857 108.800 0.010 0.000 2.535 1087 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 1087 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 1087 G C 0.737 175.706 174.900 0.114 0.000 1.122 1087 G CA 1.435 46.540 45.100 0.008 0.000 0.769 1087 G HN 0.563 nan 8.290 nan 0.000 0.549 1088 H N -3.157 115.903 119.070 -0.016 0.000 3.199 1088 H HA 0.009 4.564 4.556 -0.001 0.000 0.108 1088 H C -0.784 174.485 175.328 -0.097 0.000 1.305 1088 H CA -0.425 55.585 56.048 -0.063 0.000 0.762 1088 H CB -0.580 29.168 29.762 -0.023 0.000 0.842 1088 H HN 0.052 nan 8.280 nan 0.000 0.181 1089 F N 1.348 121.276 119.950 -0.037 0.000 2.377 1089 F HA 0.490 5.016 4.527 -0.001 0.000 0.335 1089 F C 1.226 177.045 175.800 0.032 0.000 1.099 1089 F CA 1.123 59.074 58.000 -0.082 0.000 1.072 1089 F CB 0.856 39.892 39.000 0.060 0.000 1.417 1089 F HN 0.630 nan 8.300 nan 0.000 0.495 1090 G N 0.766 109.777 108.800 0.351 0.000 2.331 1090 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.254 1090 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.254 1090 G C -0.096 174.867 174.900 0.105 0.000 0.879 1090 G CA -0.067 45.170 45.100 0.228 0.000 1.287 1090 G HN 0.969 nan 8.290 nan 0.000 0.383 1091 C N 5.117 124.418 119.300 0.002 0.000 3.183 1091 C HA 0.427 4.886 4.460 -0.001 0.000 0.545 1091 C C 1.477 176.322 174.990 -0.241 0.000 1.044 1091 C CA -0.361 58.625 59.018 -0.053 0.000 1.117 1091 C CB -2.375 25.355 27.740 -0.016 0.000 1.393 1091 C HN 1.087 nan 8.230 nan 0.000 0.611 1092 V N 5.135 125.005 119.914 -0.075 0.000 2.752 1092 V HA 0.025 4.145 4.120 -0.001 0.000 0.306 1092 V C 0.418 176.546 176.094 0.057 0.000 1.099 1092 V CA 0.491 62.745 62.300 -0.076 0.000 1.240 1092 V CB -0.490 31.354 31.823 0.036 0.000 0.887 1092 V HN 0.651 nan 8.190 nan 0.000 0.499 1093 Y N 1.898 122.185 120.300 -0.021 0.000 2.603 1093 Y HA 0.607 5.157 4.550 -0.001 0.000 0.165 1093 Y C 0.890 176.731 175.900 -0.098 0.000 1.186 1093 Y CA -0.857 57.249 58.100 0.010 0.000 1.600 1093 Y CB 0.092 38.517 38.460 -0.057 0.000 1.092 1093 Y HN 0.721 nan 8.280 nan 0.000 0.430 1094 H N -2.115 117.046 119.070 0.152 0.000 2.918 1094 H HA 0.576 5.131 4.556 -0.001 0.000 0.303 1094 H C -0.872 174.523 175.328 0.112 0.000 1.380 1094 H CA -0.332 55.713 56.048 -0.006 0.000 1.134 1094 H CB 1.939 31.649 29.762 -0.085 0.000 1.842 1094 H HN 0.668 nan 8.280 nan 0.000 0.533 1095 G N -0.176 108.761 108.800 0.227 0.000 2.328 1095 G HA2 0.337 4.296 3.960 -0.001 0.000 0.299 1095 G HA3 0.337 4.296 3.960 -0.001 0.000 0.299 1095 G C -1.651 173.437 174.900 0.312 0.000 1.435 1095 G CA -0.600 44.747 45.100 0.411 0.000 0.865 1095 G HN 0.482 nan 8.290 nan 0.000 0.601 1096 T N 0.668 115.408 114.554 0.310 0.000 2.928 1096 T HA 0.607 4.956 4.350 -0.001 0.000 0.296 1096 T C -0.364 174.400 174.700 0.106 0.000 1.000 1096 T CA -0.344 61.863 62.100 0.178 0.000 0.989 1096 T CB 1.574 70.536 68.868 0.157 0.000 1.005 1096 T HN 0.491 nan 8.240 nan 0.000 0.442 1097 L N 3.002 124.270 121.223 0.074 0.000 2.387 1097 L HA 0.663 5.003 4.340 -0.001 0.000 0.266 1097 L C -0.884 176.008 176.870 0.037 0.000 1.059 1097 L CA -0.793 54.075 54.840 0.046 0.000 0.801 1097 L CB 0.860 42.938 42.059 0.032 0.000 1.223 1097 L HN 0.345 nan 8.230 nan 0.000 0.456 1098 L N 1.204 122.443 121.223 0.026 0.000 2.381 1098 L HA 0.396 4.736 4.340 -0.001 0.000 0.268 1098 L C -0.654 176.224 176.870 0.014 0.000 0.997 1098 L CA -0.303 54.549 54.840 0.020 0.000 0.818 1098 L CB 1.669 43.739 42.059 0.019 0.000 1.310 1098 L HN 0.501 nan 8.230 nan 0.000 0.416 1099 D N 3.568 123.974 120.400 0.011 0.000 2.551 1099 D HA 0.215 4.854 4.640 -0.001 0.000 0.294 1099 D C 0.488 176.792 176.300 0.006 0.000 1.201 1099 D CA 0.084 54.088 54.000 0.007 0.000 0.941 1099 D CB 0.290 41.093 40.800 0.004 0.000 0.995 1099 D HN 0.555 nan 8.370 nan 0.000 0.502 1100 N N 1.248 119.952 118.700 0.006 0.000 1.308 1100 N HA -0.221 4.519 4.740 -0.001 0.000 0.165 1100 N C -0.809 174.704 175.510 0.006 0.000 0.874 1100 N CA 1.280 54.333 53.050 0.005 0.000 1.035 1100 N CB -0.912 37.577 38.487 0.004 0.000 1.338 1100 N HN 0.510 nan 8.380 nan 0.000 0.503 1101 D N 0.926 121.328 120.400 0.005 0.000 2.638 1101 D HA 0.586 5.226 4.640 -0.001 0.000 0.245 1101 D C 0.918 177.220 176.300 0.004 0.000 1.176 1101 D CA 0.646 54.649 54.000 0.005 0.000 0.996 1101 D CB 0.249 41.051 40.800 0.004 0.000 1.012 1101 D HN 0.873 nan 8.370 nan 0.000 0.515 1102 G N 1.077 109.880 108.800 0.005 0.000 4.399 1102 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.158 1102 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.158 1102 G C -0.499 174.404 174.900 0.006 0.000 1.911 1102 G CA -0.855 44.248 45.100 0.005 0.000 0.926 1102 G HN 0.193 nan 8.290 nan 0.000 0.292 1103 K N 2.907 123.310 120.400 0.006 0.000 2.453 1103 K HA 0.277 4.597 4.320 -0.001 0.000 0.280 1103 K C 0.543 177.150 176.600 0.012 0.000 1.045 1103 K CA 0.528 56.819 56.287 0.007 0.000 1.059 1103 K CB 0.757 33.259 32.500 0.005 0.000 0.901 1103 K HN 0.875 nan 8.250 nan 0.000 0.475 1104 K N 1.797 122.205 120.400 0.015 0.000 2.312 1104 K HA 0.788 5.108 4.320 -0.001 0.000 0.236 1104 K C -0.421 176.198 176.600 0.031 0.000 1.079 1104 K CA -1.097 55.204 56.287 0.023 0.000 0.900 1104 K CB 1.642 34.154 32.500 0.020 0.000 1.297 1104 K HN 0.439 nan 8.250 nan 0.000 0.498 1105 I N -0.741 119.857 120.570 0.047 0.000 2.718 1105 I HA 0.159 4.328 4.170 -0.001 0.000 0.287 1105 I C -1.704 174.484 176.117 0.119 0.000 1.645 1105 I CA -0.433 60.908 61.300 0.069 0.000 1.030 1105 I CB 1.987 40.015 38.000 0.047 0.000 1.470 1105 I HN 0.893 nan 8.210 nan 0.000 0.455 1106 H N 6.065 125.136 119.070 0.001 0.000 2.505 1106 H HA 0.764 5.319 4.556 -0.001 0.000 0.355 1106 H C -0.633 174.696 175.328 0.002 0.000 1.179 1106 H CA 0.076 56.103 56.048 -0.034 0.000 1.343 1106 H CB 1.471 31.190 29.762 -0.071 0.000 1.501 1106 H HN 0.897 nan 8.280 nan 0.000 0.569 1107 C N 1.978 121.170 119.300 -0.180 0.000 3.332 1107 C HA 0.844 5.304 4.460 -0.001 0.000 0.329 1107 C C -1.204 173.633 174.990 -0.255 0.000 1.434 1107 C CA -0.436 58.484 59.018 -0.163 0.000 1.314 1107 C CB 0.707 28.428 27.740 -0.033 0.000 1.664 1107 C HN 0.943 nan 8.230 nan 0.000 0.457 1108 A N 0.856 123.600 122.820 -0.128 0.000 2.318 1108 A HA 0.805 5.124 4.320 -0.001 0.000 0.317 1108 A C -0.482 177.051 177.584 -0.084 0.000 1.159 1108 A CA -0.063 51.904 52.037 -0.117 0.000 0.799 1108 A CB 1.032 19.994 19.000 -0.064 0.000 1.194 1108 A HN 2.305 nan 8.150 nan 0.000 0.479 1109 V N 0.878 120.742 119.914 -0.084 0.000 2.380 1109 V HA 0.699 4.819 4.120 -0.001 0.000 0.286 1109 V C -0.516 175.492 176.094 -0.143 0.000 1.015 1109 V CA -0.781 61.463 62.300 -0.093 0.000 0.834 1109 V CB 0.610 32.380 31.823 -0.088 0.000 1.009 1109 V HN 0.949 nan 8.190 nan 0.000 0.428 1110 K N 2.983 123.347 120.400 -0.059 0.000 2.164 1110 K HA 0.924 5.244 4.320 -0.001 0.000 0.258 1110 K C -0.535 176.171 176.600 0.178 0.000 0.951 1110 K CA -0.387 55.906 56.287 0.011 0.000 0.844 1110 K CB 2.151 34.706 32.500 0.092 0.000 1.099 1110 K HN 0.638 nan 8.250 nan 0.000 0.435 1111 S N 1.800 117.576 115.700 0.127 0.000 2.671 1111 S HA 0.619 5.089 4.470 -0.001 0.000 0.277 1111 S C -0.765 173.740 174.600 -0.158 0.000 1.165 1111 S CA -0.997 57.258 58.200 0.093 0.000 0.822 1111 S CB 0.838 64.036 63.200 -0.003 0.000 1.150 1111 S HN 0.645 nan 8.310 nan 0.000 0.479 1112 L N -0.236 120.702 121.223 -0.475 0.000 2.218 1112 L HA 0.618 4.958 4.340 -0.001 0.000 0.243 1112 L C 0.173 176.932 176.870 -0.184 0.000 1.132 1112 L CA -1.399 53.254 54.840 -0.311 0.000 1.052 1112 L CB -0.023 41.592 42.059 -0.740 0.000 1.599 1112 L HN 0.442 nan 8.230 nan 0.000 0.468 1113 N N -0.610 118.051 118.700 -0.066 0.000 2.309 1113 N HA 0.069 4.809 4.740 -0.001 0.000 0.223 1113 N C 0.357 175.820 175.510 -0.078 0.000 1.292 1113 N CA 0.567 53.605 53.050 -0.019 0.000 0.794 1113 N CB 0.121 38.628 38.487 0.033 0.000 0.909 1113 N HN 0.438 nan 8.380 nan 0.000 0.388 1114 R N -1.445 119.028 120.500 -0.044 0.000 3.342 1114 R HA 0.286 4.625 4.340 -0.001 0.000 0.093 1114 R C 1.088 177.375 176.300 -0.021 0.000 0.672 1114 R CA -0.477 55.599 56.100 -0.039 0.000 0.495 1114 R CB -0.640 29.646 30.300 -0.023 0.000 0.508 1114 R HN 0.361 nan 8.270 nan 0.000 0.335 1115 I N 2.578 123.144 120.570 -0.007 0.000 3.185 1115 I HA -0.133 4.037 4.170 -0.001 0.000 0.286 1115 I C 0.643 176.764 176.117 0.006 0.000 1.323 1115 I CA 1.125 62.427 61.300 0.004 0.000 1.392 1115 I CB 0.025 38.031 38.000 0.011 0.000 1.063 1115 I HN 0.258 nan 8.210 nan 0.000 0.525 1116 T N 1.008 115.563 114.554 0.002 0.000 4.309 1116 T HA 0.046 4.395 4.350 -0.001 0.000 0.242 1116 T C 0.316 175.017 174.700 0.001 0.000 1.142 1116 T CA -0.253 61.852 62.100 0.008 0.000 1.042 1116 T CB -0.837 68.042 68.868 0.018 0.000 1.366 1116 T HN 0.488 nan 8.240 nan 0.000 0.942 1117 D N 0.774 121.176 120.400 0.005 0.000 3.555 1117 D HA -0.214 4.425 4.640 -0.001 0.000 0.255 1117 D C 0.552 176.850 176.300 -0.003 0.000 1.942 1117 D CA 0.988 54.991 54.000 0.004 0.000 1.112 1117 D CB -0.580 40.224 40.800 0.007 0.000 0.856 1117 D HN 0.448 nan 8.370 nan 0.000 1.027 1118 I N -0.076 120.493 120.570 -0.001 0.000 4.439 1118 I HA 0.222 4.392 4.170 -0.001 0.000 0.331 1118 I C 2.052 178.167 176.117 -0.004 0.000 1.345 1118 I CA 0.973 62.271 61.300 -0.003 0.000 1.193 1118 I CB 0.230 38.233 38.000 0.005 0.000 1.221 1118 I HN 0.497 nan 8.210 nan 0.000 0.429 1119 G N 1.950 110.750 108.800 -0.001 0.000 2.766 1119 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.222 1119 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.222 1119 G C 1.171 176.069 174.900 -0.003 0.000 1.225 1119 G CA 1.700 46.800 45.100 0.001 0.000 0.784 1119 G HN 0.543 nan 8.290 nan 0.000 0.631 1120 E N -0.095 120.096 120.200 -0.015 0.000 2.419 1120 E HA 0.384 4.734 4.350 -0.001 0.000 0.190 1120 E C 1.441 178.008 176.600 -0.055 0.000 1.040 1120 E CA -0.020 56.363 56.400 -0.028 0.000 0.900 1120 E CB 0.558 30.236 29.700 -0.036 0.000 1.054 1120 E HN 0.258 nan 8.360 nan 0.000 0.462 1121 V N -0.441 119.450 119.914 -0.038 0.000 3.125 1121 V HA 0.010 4.129 4.120 -0.001 0.000 0.249 1121 V C 1.837 177.956 176.094 0.041 0.000 1.113 1121 V CA 1.149 63.423 62.300 -0.043 0.000 1.106 1121 V CB 0.203 31.992 31.823 -0.057 0.000 0.768 1121 V HN 0.328 nan 8.190 nan 0.000 0.468 1122 S N 0.075 115.794 115.700 0.032 0.000 2.496 1122 S HA -0.088 4.382 4.470 -0.001 0.000 0.224 1122 S C 1.723 176.349 174.600 0.044 0.000 0.996 1122 S CA 0.632 58.857 58.200 0.041 0.000 0.927 1122 S CB -0.060 63.152 63.200 0.021 0.000 0.774 1122 S HN 0.708 nan 8.310 nan 0.000 0.524 1123 Q N -0.672 119.155 119.800 0.044 0.000 2.444 1123 Q HA 0.119 4.459 4.340 -0.001 0.000 0.206 1123 Q C 1.266 177.303 176.000 0.062 0.000 0.948 1123 Q CA 0.383 56.206 55.803 0.032 0.000 0.946 1123 Q CB -0.116 28.634 28.738 0.019 0.000 1.027 1123 Q HN 0.553 nan 8.270 nan 0.000 0.513 1124 F N 0.781 120.683 119.950 -0.080 0.000 2.220 1124 F HA 0.062 4.589 4.527 -0.001 0.000 0.290 1124 F C 1.667 177.424 175.800 -0.071 0.000 1.080 1124 F CA 0.523 58.468 58.000 -0.091 0.000 1.318 1124 F CB 0.020 38.950 39.000 -0.117 0.000 1.063 1124 F HN 0.003 nan 8.300 nan 0.000 0.498 1125 L N -0.308 120.928 121.223 0.022 0.000 2.093 1125 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 1125 L C 1.901 178.702 176.870 -0.115 0.000 1.085 1125 L CA 1.819 56.612 54.840 -0.079 0.000 0.755 1125 L CB -0.627 41.446 42.059 0.023 0.000 0.904 1125 L HN 0.172 nan 8.230 nan 0.000 0.435 1126 T N -0.640 113.873 114.554 -0.069 0.000 3.035 1126 T HA -0.123 4.227 4.350 -0.001 0.000 0.268 1126 T C 1.422 176.059 174.700 -0.106 0.000 1.109 1126 T CA 1.184 63.240 62.100 -0.073 0.000 1.119 1126 T CB 0.086 68.933 68.868 -0.035 0.000 0.900 1126 T HN 0.506 nan 8.240 nan 0.000 0.503 1127 E N 1.666 121.785 120.200 -0.134 0.000 2.021 1127 E HA 0.059 4.409 4.350 -0.001 0.000 0.189 1127 E C 2.444 178.919 176.600 -0.208 0.000 0.980 1127 E CA 1.502 57.814 56.400 -0.146 0.000 0.803 1127 E CB -1.232 28.390 29.700 -0.131 0.000 0.766 1127 E HN 0.253 nan 8.360 nan 0.000 0.449 1128 G N 1.370 109.997 108.800 -0.289 0.000 2.479 1128 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.220 1128 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.220 1128 G C 1.526 176.272 174.900 -0.256 0.000 1.115 1128 G CA 0.834 45.758 45.100 -0.294 0.000 0.757 1128 G HN 0.410 nan 8.290 nan 0.000 0.560 1129 I N 0.286 120.718 120.570 -0.230 0.000 2.928 1129 I HA 0.061 4.230 4.170 -0.001 0.000 0.266 1129 I C 2.102 178.049 176.117 -0.284 0.000 1.234 1129 I CA 0.479 61.650 61.300 -0.215 0.000 1.483 1129 I CB -0.244 37.666 38.000 -0.151 0.000 1.097 1129 I HN 0.084 nan 8.210 nan 0.000 0.455 1130 I N 1.661 122.043 120.570 -0.313 0.000 2.530 1130 I HA -0.245 3.924 4.170 -0.001 0.000 0.257 1130 I C 2.200 177.764 176.117 -0.920 0.000 1.179 1130 I CA 1.538 62.569 61.300 -0.449 0.000 1.440 1130 I CB -0.180 37.646 38.000 -0.290 0.000 1.087 1130 I HN 0.243 nan 8.210 nan 0.000 0.440 1131 M N -1.046 118.125 119.600 -0.715 0.000 2.556 1131 M HA 0.034 4.514 4.480 -0.001 0.000 0.245 1131 M C 1.908 177.930 176.300 -0.462 0.000 1.128 1131 M CA 0.387 55.242 55.300 -0.743 0.000 1.069 1131 M CB -0.461 31.965 32.600 -0.290 0.000 1.469 1131 M HN -0.034 nan 8.290 nan 0.000 0.494 1132 K N 2.362 122.529 120.400 -0.389 0.000 2.107 1132 K HA -0.192 4.128 4.320 -0.001 0.000 0.211 1132 K C 0.620 177.111 176.600 -0.182 0.000 1.049 1132 K CA 1.873 58.007 56.287 -0.256 0.000 0.927 1132 K CB -0.255 32.091 32.500 -0.257 0.000 0.714 1132 K HN 0.374 nan 8.250 nan 0.000 0.452 1133 D N -0.414 119.871 120.400 -0.192 0.000 2.643 1133 D HA 0.033 4.673 4.640 -0.001 0.000 0.244 1133 D C -0.655 175.815 176.300 0.284 0.000 1.257 1133 D CA -0.148 53.854 54.000 0.003 0.000 0.831 1133 D CB 0.094 40.893 40.800 -0.001 0.000 1.043 1133 D HN 0.072 nan 8.370 nan 0.000 0.488 1134 F N 2.403 122.349 119.950 -0.005 0.000 2.467 1134 F HA 0.115 4.642 4.527 -0.000 0.000 0.349 1134 F C 0.880 176.669 175.800 -0.018 0.000 1.182 1134 F CA -1.513 56.522 58.000 0.059 0.000 1.279 1134 F CB 0.039 38.997 39.000 -0.070 0.000 1.626 1134 F HN -0.215 nan 8.300 nan 0.000 0.596 1135 S N 1.406 117.195 115.700 0.149 0.000 2.921 1135 S HA 0.304 4.773 4.470 -0.001 0.000 0.244 1135 S C -0.544 173.802 174.600 -0.424 0.000 1.291 1135 S CA -0.382 57.764 58.200 -0.088 0.000 1.010 1135 S CB 0.174 63.360 63.200 -0.023 0.000 1.255 1135 S HN 0.555 nan 8.310 nan 0.000 0.492 1136 H N 2.830 121.544 119.070 -0.593 0.000 2.856 1136 H HA 0.311 4.867 4.556 -0.001 0.000 0.355 1136 H C -2.464 172.639 175.328 -0.376 0.000 1.079 1136 H CA -1.608 54.008 56.048 -0.719 0.000 1.240 1136 H CB 2.655 31.689 29.762 -1.213 0.000 1.701 1136 H HN 0.215 nan 8.280 nan 0.000 0.527 1137 P HA -0.118 nan 4.420 nan 0.000 0.218 1137 P C 0.089 177.297 177.300 -0.152 0.000 1.146 1137 P CA 1.216 64.121 63.100 -0.326 0.000 0.813 1137 P CB 0.317 31.808 31.700 -0.349 0.000 0.778 1138 N N -0.915 117.799 118.700 0.024 0.000 2.295 1138 N HA 0.173 4.913 4.740 -0.001 0.000 0.221 1138 N C -0.728 174.790 175.510 0.013 0.000 1.129 1138 N CA -0.227 52.874 53.050 0.084 0.000 0.836 1138 N CB 0.530 39.105 38.487 0.145 0.000 1.040 1138 N HN -0.051 nan 8.380 nan 0.000 0.494 1139 V N 1.439 121.332 119.914 -0.035 0.000 2.577 1139 V HA 0.230 4.350 4.120 -0.001 0.000 0.303 1139 V C -0.348 175.706 176.094 -0.068 0.000 1.042 1139 V CA -1.016 61.230 62.300 -0.091 0.000 0.872 1139 V CB 2.145 33.864 31.823 -0.174 0.000 0.998 1139 V HN 0.064 nan 8.190 nan 0.000 0.423 1140 L N 4.387 125.576 121.223 -0.058 0.000 2.540 1140 L HA 0.252 4.591 4.340 -0.001 0.000 0.276 1140 L C 0.561 177.422 176.870 -0.015 0.000 1.212 1140 L CA 1.302 56.106 54.840 -0.061 0.000 0.893 1140 L CB 0.781 42.783 42.059 -0.094 0.000 1.138 1140 L HN 0.806 nan 8.230 nan 0.000 0.491 1141 S N 4.059 119.732 115.700 -0.045 0.000 2.681 1141 S HA 0.622 5.092 4.470 -0.001 0.000 0.299 1141 S C -0.849 173.710 174.600 -0.068 0.000 1.113 1141 S CA -0.658 57.522 58.200 -0.034 0.000 1.013 1141 S CB 1.597 64.770 63.200 -0.045 0.000 1.076 1141 S HN 0.599 nan 8.310 nan 0.000 0.534 1142 L N 2.678 123.853 121.223 -0.079 0.000 2.257 1142 L HA 0.430 4.770 4.340 -0.001 0.000 0.290 1142 L C 0.505 177.326 176.870 -0.081 0.000 1.044 1142 L CA 0.049 54.828 54.840 -0.101 0.000 0.810 1142 L CB 0.027 42.006 42.059 -0.134 0.000 1.193 1142 L HN 0.740 nan 8.230 nan 0.000 0.425 1143 L N 4.306 125.486 121.223 -0.073 0.000 1.988 1143 L HA 0.252 4.592 4.340 -0.001 0.000 0.207 1143 L C 1.156 177.996 176.870 -0.050 0.000 1.071 1143 L CA 1.226 56.034 54.840 -0.054 0.000 0.744 1143 L CB -0.406 41.627 42.059 -0.044 0.000 0.893 1143 L HN 0.869 nan 8.230 nan 0.000 0.433 1144 G N -1.459 107.309 108.800 -0.054 0.000 2.430 1144 G HA2 0.425 4.385 3.960 -0.001 0.000 0.300 1144 G HA3 0.425 4.385 3.960 -0.001 0.000 0.300 1144 G C -2.256 172.615 174.900 -0.048 0.000 1.330 1144 G CA -0.367 44.706 45.100 -0.045 0.000 0.813 1144 G HN -0.157 nan 8.290 nan 0.000 0.487 1145 I N -0.194 120.357 120.570 -0.032 0.000 2.569 1145 I HA 0.784 4.954 4.170 -0.001 0.000 0.290 1145 I C -0.907 175.209 176.117 -0.002 0.000 1.088 1145 I CA -1.524 59.760 61.300 -0.025 0.000 1.047 1145 I CB 1.170 39.150 38.000 -0.034 0.000 1.237 1145 I HN 0.733 nan 8.210 nan 0.000 0.421 1146 C N 6.998 126.303 119.300 0.010 0.000 2.701 1146 C HA 0.697 5.157 4.460 -0.001 0.000 0.336 1146 C C -1.012 174.001 174.990 0.037 0.000 1.123 1146 C CA -0.799 58.233 59.018 0.023 0.000 1.326 1146 C CB 1.163 28.918 27.740 0.024 0.000 1.833 1146 C HN 0.590 nan 8.230 nan 0.000 0.473 1147 L N 3.370 124.616 121.223 0.039 0.000 2.529 1147 L HA 0.424 4.763 4.340 -0.001 0.000 0.258 1147 L C 0.403 177.297 176.870 0.040 0.000 1.032 1147 L CA -0.046 54.822 54.840 0.047 0.000 0.899 1147 L CB 0.438 42.526 42.059 0.048 0.000 1.174 1147 L HN 0.679 nan 8.230 nan 0.000 0.458 1148 R N 0.209 120.735 120.500 0.044 0.000 2.919 1148 R HA 0.013 4.353 4.340 -0.001 0.000 0.271 1148 R C 1.030 177.345 176.300 0.024 0.000 0.995 1148 R CA 0.164 56.286 56.100 0.035 0.000 1.158 1148 R CB 0.190 30.515 30.300 0.042 0.000 1.071 1148 R HN 0.450 nan 8.270 nan 0.000 0.476 1149 S N 0.722 116.432 115.700 0.017 0.000 3.048 1149 S HA -0.015 4.454 4.470 -0.001 0.000 0.254 1149 S C 0.020 174.611 174.600 -0.015 0.000 1.084 1149 S CA 0.601 58.806 58.200 0.008 0.000 1.195 1149 S CB -0.398 62.810 63.200 0.013 0.000 0.870 1149 S HN 0.565 nan 8.310 nan 0.000 0.483 1150 E N -1.340 118.851 120.200 -0.014 0.000 1.769 1150 E HA 0.103 4.452 4.350 -0.001 0.000 0.172 1150 E C 0.088 176.681 176.600 -0.010 0.000 0.799 1150 E CA 0.180 56.557 56.400 -0.038 0.000 1.207 1150 E CB -0.339 29.329 29.700 -0.054 0.000 3.012 1150 E HN 0.356 nan 8.360 nan 0.000 0.607 1151 G N 1.061 109.873 108.800 0.020 0.000 2.347 1151 G HA2 0.424 4.384 3.960 -0.001 0.000 0.314 1151 G HA3 0.424 4.384 3.960 -0.001 0.000 0.314 1151 G C 0.012 174.941 174.900 0.050 0.000 1.126 1151 G CA 0.110 45.241 45.100 0.051 0.000 0.929 1151 G HN 0.141 nan 8.290 nan 0.000 0.441 1152 S N 4.036 119.763 115.700 0.044 0.000 2.542 1152 S HA 0.054 4.524 4.470 -0.001 0.000 0.287 1152 S C -1.546 173.078 174.600 0.040 0.000 1.315 1152 S CA -0.594 57.617 58.200 0.019 0.000 1.037 1152 S CB 0.416 63.617 63.200 0.001 0.000 0.822 1152 S HN 0.525 nan 8.310 nan 0.000 0.513 1153 P HA -0.042 nan 4.420 nan 0.000 0.238 1153 P C -0.600 176.880 177.300 0.299 0.000 1.090 1153 P CA 0.467 63.657 63.100 0.150 0.000 0.944 1153 P CB -0.279 31.466 31.700 0.074 0.000 0.881 1154 L N 5.112 126.461 121.223 0.210 0.000 2.272 1154 L HA 0.324 4.664 4.340 -0.001 0.000 0.289 1154 L C -0.252 176.672 176.870 0.090 0.000 1.032 1154 L CA -0.917 54.016 54.840 0.155 0.000 0.810 1154 L CB 1.481 43.590 42.059 0.083 0.000 1.205 1154 L HN 0.039 nan 8.230 nan 0.000 0.422 1155 V N 5.797 125.742 119.914 0.051 0.000 2.398 1155 V HA 0.347 4.466 4.120 -0.001 0.000 0.286 1155 V C -0.145 175.903 176.094 -0.076 0.000 1.026 1155 V CA -0.526 61.714 62.300 -0.101 0.000 0.868 1155 V CB 1.944 33.591 31.823 -0.293 0.000 0.982 1155 V HN 0.446 nan 8.190 nan 0.000 0.443 1156 V N 7.126 126.991 119.914 -0.081 0.000 2.378 1156 V HA 0.546 4.665 4.120 -0.001 0.000 0.288 1156 V C -0.365 175.682 176.094 -0.079 0.000 1.016 1156 V CA -0.481 61.779 62.300 -0.067 0.000 0.840 1156 V CB 1.317 33.116 31.823 -0.040 0.000 0.994 1156 V HN 0.640 nan 8.190 nan 0.000 0.431 1157 L N 6.965 128.139 121.223 -0.082 0.000 2.342 1157 L HA 0.649 4.989 4.340 -0.001 0.000 0.271 1157 L C -2.332 174.493 176.870 -0.074 0.000 1.008 1157 L CA -2.010 52.776 54.840 -0.089 0.000 0.818 1157 L CB 2.165 44.155 42.059 -0.115 0.000 1.296 1157 L HN 0.368 nan 8.230 nan 0.000 0.427 1158 P HA -0.103 nan 4.420 nan 0.000 0.267 1158 P C -1.194 176.071 177.300 -0.059 0.000 1.200 1158 P CA -0.016 63.052 63.100 -0.054 0.000 0.772 1158 P CB 0.343 32.005 31.700 -0.064 0.000 0.855 1159 Y N 3.337 123.513 120.300 -0.206 0.000 2.377 1159 Y HA 0.189 4.738 4.550 -0.001 0.000 0.330 1159 Y C 0.266 176.050 175.900 -0.193 0.000 1.108 1159 Y CA -0.085 57.849 58.100 -0.277 0.000 1.308 1159 Y CB 0.439 38.619 38.460 -0.466 0.000 1.216 1159 Y HN 0.206 nan 8.280 nan 0.000 0.518 1160 M N 7.530 126.635 119.600 -0.825 0.000 2.060 1160 M HA 0.171 4.650 4.480 -0.001 0.000 0.342 1160 M C 1.041 176.768 176.300 -0.955 0.000 1.031 1160 M CA -0.329 54.579 55.300 -0.653 0.000 0.981 1160 M CB 1.194 33.567 32.600 -0.378 0.000 1.376 1160 M HN 0.812 nan 8.290 nan 0.000 0.397 1161 K N 1.964 121.856 120.400 -0.846 0.000 2.074 1161 K HA -0.169 4.150 4.320 -0.001 0.000 0.209 1161 K C 0.976 177.231 176.600 -0.577 0.000 1.048 1161 K CA 1.606 57.457 56.287 -0.727 0.000 0.926 1161 K CB 0.258 32.408 32.500 -0.583 0.000 0.713 1161 K HN 0.598 nan 8.250 nan 0.000 0.444 1162 H N -0.570 118.361 119.070 -0.232 0.000 2.526 1162 H HA 0.148 4.704 4.556 -0.001 0.000 0.274 1162 H C 1.217 176.541 175.328 -0.006 0.000 0.999 1162 H CA 0.587 56.592 56.048 -0.073 0.000 1.157 1162 H CB 0.362 29.992 29.762 -0.220 0.000 1.407 1162 H HN 0.507 nan 8.280 nan 0.000 0.568 1163 G N 1.941 110.719 108.800 -0.035 0.000 2.547 1163 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.271 1163 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.271 1163 G C -0.241 174.691 174.900 0.053 0.000 1.209 1163 G CA 0.213 45.331 45.100 0.030 0.000 0.959 1163 G HN 0.549 nan 8.290 nan 0.000 0.563 1164 D N 0.062 120.542 120.400 0.133 0.000 2.264 1164 D HA 0.503 5.143 4.640 -0.001 0.000 0.249 1164 D C 1.459 177.814 176.300 0.092 0.000 1.070 1164 D CA -0.405 53.673 54.000 0.131 0.000 0.912 1164 D CB 1.275 42.207 40.800 0.221 0.000 1.193 1164 D HN 0.546 nan 8.370 nan 0.000 0.427 1165 L N 2.002 123.235 121.223 0.016 0.000 2.081 1165 L HA -0.170 4.170 4.340 -0.001 0.000 0.212 1165 L C 2.254 179.168 176.870 0.074 0.000 1.080 1165 L CA 1.879 56.694 54.840 -0.041 0.000 0.754 1165 L CB -0.740 41.251 42.059 -0.112 0.000 0.893 1165 L HN 0.712 nan 8.230 nan 0.000 0.433 1166 R N -1.089 119.469 120.500 0.097 0.000 2.075 1166 R HA -0.125 4.215 4.340 -0.001 0.000 0.232 1166 R C 2.057 178.432 176.300 0.125 0.000 1.126 1166 R CA 1.364 57.532 56.100 0.113 0.000 0.963 1166 R CB -0.137 30.231 30.300 0.113 0.000 0.858 1166 R HN 0.453 nan 8.270 nan 0.000 0.435 1167 N N 0.200 118.982 118.700 0.138 0.000 2.142 1167 N HA -0.177 4.562 4.740 -0.001 0.000 0.186 1167 N C 1.535 177.156 175.510 0.186 0.000 1.023 1167 N CA 1.113 54.245 53.050 0.137 0.000 0.852 1167 N CB -0.357 38.208 38.487 0.130 0.000 0.998 1167 N HN 0.173 nan 8.380 nan 0.000 0.424 1168 F N 2.617 122.628 119.950 0.102 0.000 2.095 1168 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 1168 F C 2.252 178.178 175.800 0.209 0.000 1.104 1168 F CA 1.351 59.450 58.000 0.165 0.000 1.232 1168 F CB -0.268 38.750 39.000 0.029 0.000 0.987 1168 F HN 0.008 nan 8.300 nan 0.000 0.475 1169 I N -1.292 119.386 120.570 0.180 0.000 2.546 1169 I HA -0.105 4.064 4.170 -0.001 0.000 0.255 1169 I C 2.139 178.266 176.117 0.017 0.000 1.163 1169 I CA 1.112 62.461 61.300 0.081 0.000 1.457 1169 I CB -0.583 37.502 38.000 0.141 0.000 1.092 1169 I HN 0.064 nan 8.210 nan 0.000 0.434 1170 R N 1.316 121.834 120.500 0.030 0.000 2.193 1170 R HA 0.063 4.402 4.340 -0.001 0.000 0.213 1170 R C 0.771 177.052 176.300 -0.032 0.000 1.055 1170 R CA 0.031 56.137 56.100 0.010 0.000 0.995 1170 R CB -0.381 29.940 30.300 0.036 0.000 0.893 1170 R HN 0.399 nan 8.270 nan 0.000 0.459 1171 N N 1.949 120.604 118.700 -0.074 0.000 2.440 1171 N HA -0.091 4.648 4.740 -0.001 0.000 0.265 1171 N C 0.089 175.458 175.510 -0.235 0.000 1.239 1171 N CA 0.535 53.463 53.050 -0.204 0.000 0.909 1171 N CB 1.088 39.326 38.487 -0.415 0.000 1.066 1171 N HN 0.140 nan 8.380 nan 0.000 0.474 1172 E N 0.791 120.889 120.200 -0.170 0.000 2.347 1172 E HA -0.087 4.263 4.350 -0.001 0.000 0.196 1172 E C 1.265 177.786 176.600 -0.132 0.000 1.008 1172 E CA 0.892 57.225 56.400 -0.112 0.000 0.852 1172 E CB 0.240 29.905 29.700 -0.059 0.000 0.783 1172 E HN 0.752 nan 8.360 nan 0.000 0.505 1173 T N -2.466 111.943 114.554 -0.241 0.000 3.148 1173 T HA -0.000 4.349 4.350 -0.001 0.000 0.253 1173 T C 0.345 174.959 174.700 -0.142 0.000 1.134 1173 T CA 0.043 62.030 62.100 -0.188 0.000 1.051 1173 T CB -0.271 68.487 68.868 -0.184 0.000 0.959 1173 T HN 0.106 nan 8.240 nan 0.000 0.525 1174 H N 1.322 120.316 119.070 -0.126 0.000 2.467 1174 H HA 0.483 5.039 4.556 -0.001 0.000 0.331 1174 H C -0.195 175.074 175.328 -0.098 0.000 1.120 1174 H CA -1.155 54.786 56.048 -0.179 0.000 1.270 1174 H CB 0.759 30.252 29.762 -0.448 0.000 1.466 1174 H HN 0.092 nan 8.280 nan 0.000 0.504 1175 N N 4.143 122.897 118.700 0.090 0.000 2.844 1175 N HA 0.134 4.873 4.740 -0.001 0.000 0.268 1175 N C -2.663 172.877 175.510 0.050 0.000 1.574 1175 N CA -1.142 51.971 53.050 0.106 0.000 0.838 1175 N CB 1.174 39.770 38.487 0.181 0.000 1.177 1175 N HN 0.532 nan 8.380 nan 0.000 0.495 1176 P HA 0.089 nan 4.420 nan 0.000 0.272 1176 P C 0.166 177.309 177.300 -0.262 0.000 1.230 1176 P CA 0.066 63.100 63.100 -0.110 0.000 0.788 1176 P CB 0.913 32.592 31.700 -0.035 0.000 0.949 1177 T N -2.699 111.644 114.554 -0.352 0.000 2.949 1177 T HA 0.272 4.622 4.350 -0.001 0.000 0.287 1177 T C 1.335 175.825 174.700 -0.349 0.000 1.034 1177 T CA -0.789 61.027 62.100 -0.473 0.000 1.018 1177 T CB 0.597 69.136 68.868 -0.548 0.000 1.135 1177 T HN 0.032 nan 8.240 nan 0.000 0.532 1178 V N 1.234 120.945 119.914 -0.339 0.000 2.282 1178 V HA -0.171 3.949 4.120 -0.001 0.000 0.249 1178 V C 2.889 178.738 176.094 -0.408 0.000 1.057 1178 V CA 2.196 64.277 62.300 -0.366 0.000 1.032 1178 V CB -0.872 30.689 31.823 -0.437 0.000 0.645 1178 V HN 0.995 nan 8.190 nan 0.000 0.447 1179 K N -0.232 119.926 120.400 -0.403 0.000 2.032 1179 K HA -0.253 4.066 4.320 -0.001 0.000 0.209 1179 K C 1.923 178.438 176.600 -0.142 0.000 1.048 1179 K CA 2.046 58.173 56.287 -0.266 0.000 0.927 1179 K CB -0.311 32.034 32.500 -0.258 0.000 0.712 1179 K HN 0.500 nan 8.250 nan 0.000 0.441 1180 D N 0.848 121.087 120.400 -0.268 0.000 2.104 1180 D HA -0.184 4.455 4.640 -0.001 0.000 0.194 1180 D C 2.043 177.987 176.300 -0.594 0.000 0.994 1180 D CA 1.163 54.899 54.000 -0.440 0.000 0.830 1180 D CB -0.202 40.352 40.800 -0.409 0.000 0.959 1180 D HN 0.257 nan 8.370 nan 0.000 0.452 1181 L N 0.339 121.386 121.223 -0.293 0.000 2.072 1181 L HA -0.068 4.271 4.340 -0.001 0.000 0.205 1181 L C 2.573 179.407 176.870 -0.060 0.000 1.079 1181 L CA 0.538 55.325 54.840 -0.089 0.000 0.752 1181 L CB -0.254 41.789 42.059 -0.026 0.000 0.906 1181 L HN -0.027 nan 8.230 nan 0.000 0.436 1182 I N -0.023 120.500 120.570 -0.079 0.000 2.361 1182 I HA -0.188 3.982 4.170 -0.001 0.000 0.251 1182 I C 2.599 178.715 176.117 -0.002 0.000 1.133 1182 I CA 1.271 62.578 61.300 0.013 0.000 1.413 1182 I CB -0.730 37.298 38.000 0.046 0.000 1.073 1182 I HN 0.262 nan 8.210 nan 0.000 0.424 1183 G N 0.856 109.607 108.800 -0.083 0.000 2.418 1183 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.217 1183 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.217 1183 G C 1.423 176.195 174.900 -0.214 0.000 1.158 1183 G CA 0.542 45.431 45.100 -0.351 0.000 0.771 1183 G HN 0.199 nan 8.290 nan 0.000 0.545 1184 F N 1.740 121.664 119.950 -0.043 0.000 2.134 1184 F HA 0.047 4.573 4.527 -0.001 0.000 0.299 1184 F C 2.861 178.672 175.800 0.018 0.000 1.097 1184 F CA 0.522 58.510 58.000 -0.020 0.000 1.264 1184 F CB -1.020 37.979 39.000 -0.003 0.000 1.001 1184 F HN 0.182 nan 8.300 nan 0.000 0.479 1185 G N -0.274 108.649 108.800 0.205 0.000 2.408 1185 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 1185 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 1185 G C 1.695 176.764 174.900 0.281 0.000 1.150 1185 G CA 0.659 45.892 45.100 0.221 0.000 0.776 1185 G HN 0.302 nan 8.290 nan 0.000 0.542 1186 L N 0.470 121.756 121.223 0.105 0.000 2.083 1186 L HA -0.016 4.324 4.340 -0.001 0.000 0.209 1186 L C 2.815 179.691 176.870 0.010 0.000 1.083 1186 L CA 1.742 56.592 54.840 0.017 0.000 0.752 1186 L CB -0.579 41.359 42.059 -0.201 0.000 0.899 1186 L HN 0.311 nan 8.230 nan 0.000 0.433 1187 Q N -1.529 118.286 119.800 0.025 0.000 2.083 1187 Q HA -0.129 4.210 4.340 -0.001 0.000 0.198 1187 Q C 2.157 178.185 176.000 0.048 0.000 0.969 1187 Q CA 1.628 57.451 55.803 0.034 0.000 0.838 1187 Q CB -0.138 28.640 28.738 0.067 0.000 0.900 1187 Q HN 0.441 nan 8.270 nan 0.000 0.436 1188 V N 1.137 121.119 119.914 0.114 0.000 2.343 1188 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 1188 V C 2.326 178.407 176.094 -0.022 0.000 1.051 1188 V CA 1.835 64.200 62.300 0.108 0.000 1.036 1188 V CB -1.043 30.944 31.823 0.274 0.000 0.654 1188 V HN 0.373 nan 8.190 nan 0.000 0.451 1189 A N -0.262 122.557 122.820 -0.001 0.000 1.908 1189 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 1189 A C 2.319 179.757 177.584 -0.242 0.000 1.181 1189 A CA 2.073 53.935 52.037 -0.292 0.000 0.627 1189 A CB -0.448 18.427 19.000 -0.208 0.000 0.818 1189 A HN 0.548 nan 8.150 nan 0.000 0.445 1190 K N -1.003 119.325 120.400 -0.120 0.000 2.026 1190 K HA -0.105 4.215 4.320 -0.001 0.000 0.208 1190 K C 2.193 178.641 176.600 -0.254 0.000 1.048 1190 K CA 1.157 57.386 56.287 -0.096 0.000 0.929 1190 K CB -0.486 32.032 32.500 0.031 0.000 0.713 1190 K HN 0.474 nan 8.250 nan 0.000 0.439 1191 G N 1.273 109.928 108.800 -0.242 0.000 2.418 1191 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 1191 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 1191 G C 1.467 176.136 174.900 -0.385 0.000 1.158 1191 G CA 0.563 45.448 45.100 -0.359 0.000 0.771 1191 G HN 0.061 nan 8.290 nan 0.000 0.545 1192 M N 0.689 120.003 119.600 -0.477 0.000 2.159 1192 M HA -0.006 4.474 4.480 -0.001 0.000 0.263 1192 M C 2.299 178.203 176.300 -0.660 0.000 1.063 1192 M CA 1.218 56.041 55.300 -0.794 0.000 1.110 1192 M CB -0.890 30.709 32.600 -1.668 0.000 1.374 1192 M HN 0.336 nan 8.290 nan 0.000 0.411 1193 K N -0.426 119.708 120.400 -0.443 0.000 2.097 1193 K HA -0.200 4.119 4.320 -0.001 0.000 0.206 1193 K C 2.058 178.568 176.600 -0.150 0.000 1.049 1193 K CA 1.213 57.395 56.287 -0.176 0.000 0.933 1193 K CB -0.290 32.163 32.500 -0.078 0.000 0.717 1193 K HN 0.166 nan 8.250 nan 0.000 0.442 1194 F N 1.992 121.694 119.950 -0.413 0.000 2.075 1194 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 1194 F C 1.775 177.410 175.800 -0.275 0.000 1.113 1194 F CA 1.455 59.221 58.000 -0.391 0.000 1.218 1194 F CB -0.334 38.239 39.000 -0.712 0.000 0.984 1194 F HN -0.049 nan 8.300 nan 0.000 0.472 1195 L N -0.043 120.984 121.223 -0.326 0.000 2.046 1195 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 1195 L C 2.827 179.614 176.870 -0.138 0.000 1.077 1195 L CA 1.219 55.876 54.840 -0.304 0.000 0.747 1195 L CB -1.370 40.603 42.059 -0.143 0.000 0.896 1195 L HN 0.269 nan 8.230 nan 0.000 0.432 1196 A N 0.414 123.176 122.820 -0.098 0.000 1.883 1196 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 1196 A C 2.544 180.096 177.584 -0.052 0.000 1.186 1196 A CA 2.233 54.273 52.037 0.005 0.000 0.624 1196 A CB -0.925 18.137 19.000 0.103 0.000 0.822 1196 A HN 0.535 nan 8.150 nan 0.000 0.444 1197 S N -0.440 115.182 115.700 -0.130 0.000 2.420 1197 S HA -0.180 4.290 4.470 -0.001 0.000 0.237 1197 S C 1.393 175.889 174.600 -0.172 0.000 1.023 1197 S CA 1.643 59.755 58.200 -0.148 0.000 0.991 1197 S CB -0.275 62.820 63.200 -0.175 0.000 0.792 1197 S HN 0.432 nan 8.310 nan 0.000 0.488 1198 K N 1.039 121.299 120.400 -0.234 0.000 2.437 1198 K HA 0.196 4.516 4.320 -0.001 0.000 0.198 1198 K C 0.078 176.676 176.600 -0.003 0.000 1.024 1198 K CA 0.008 56.205 56.287 -0.150 0.000 1.148 1198 K CB -0.033 32.341 32.500 -0.210 0.000 0.860 1198 K HN 0.366 nan 8.250 nan 0.000 0.515 1199 K N 0.222 120.626 120.400 0.007 0.000 3.035 1199 K HA -0.227 4.092 4.320 -0.001 0.000 0.262 1199 K C -0.214 176.443 176.600 0.096 0.000 1.024 1199 K CA 0.503 56.815 56.287 0.043 0.000 0.748 1199 K CB -2.635 29.882 32.500 0.029 0.000 1.247 1199 K HN 0.207 nan 8.250 nan 0.000 0.482 1200 F N 0.603 120.536 119.950 -0.029 0.000 2.410 1200 F HA 0.337 4.863 4.527 -0.001 0.000 0.349 1200 F C 0.267 176.085 175.800 0.030 0.000 1.117 1200 F CA -0.936 57.069 58.000 0.008 0.000 1.104 1200 F CB 1.074 40.077 39.000 0.004 0.000 1.122 1200 F HN -0.120 nan 8.300 nan 0.000 0.483 1201 V N 7.436 126.978 119.914 -0.621 0.000 2.350 1201 V HA 0.084 4.203 4.120 -0.001 0.000 0.276 1201 V C 1.120 176.845 176.094 -0.616 0.000 1.028 1201 V CA -0.358 61.718 62.300 -0.373 0.000 0.860 1201 V CB 0.839 32.561 31.823 -0.168 0.000 0.990 1201 V HN 0.874 nan 8.190 nan 0.000 0.453 1202 H N 5.146 124.059 119.070 -0.261 0.000 2.276 1202 H HA -0.041 4.515 4.556 -0.001 0.000 0.301 1202 H C 1.624 176.871 175.328 -0.135 0.000 1.073 1202 H CA 2.281 58.281 56.048 -0.081 0.000 1.311 1202 H CB 0.390 30.220 29.762 0.112 0.000 1.379 1202 H HN 0.723 nan 8.280 nan 0.000 0.494 1203 R N -1.141 119.426 120.500 0.111 0.000 3.603 1203 R HA -0.168 4.172 4.340 -0.001 0.000 0.479 1203 R C -0.378 175.915 176.300 -0.012 0.000 0.745 1203 R CA 1.248 57.266 56.100 -0.138 0.000 1.476 1203 R CB -1.337 28.661 30.300 -0.503 0.000 2.147 1203 R HN 0.353 nan 8.270 nan 0.000 0.447 1204 D N 0.063 120.632 120.400 0.282 0.000 3.007 1204 D HA 0.129 4.768 4.640 -0.001 0.000 0.363 1204 D C -1.180 175.148 176.300 0.046 0.000 1.474 1204 D CA -0.408 53.690 54.000 0.163 0.000 0.767 1204 D CB 0.355 41.208 40.800 0.090 0.000 1.227 1204 D HN -0.012 nan 8.370 nan 0.000 0.471 1205 L N 1.878 123.057 121.223 -0.074 0.000 2.500 1205 L HA 0.577 4.916 4.340 -0.001 0.000 0.272 1205 L C -0.279 176.554 176.870 -0.062 0.000 1.149 1205 L CA 0.177 54.887 54.840 -0.216 0.000 0.897 1205 L CB -0.156 41.886 42.059 -0.027 0.000 1.178 1205 L HN 0.285 nan 8.230 nan 0.000 0.473 1206 A N 3.966 126.704 122.820 -0.136 0.000 2.604 1206 A HA 0.715 5.035 4.320 -0.001 0.000 0.295 1206 A C 0.589 178.167 177.584 -0.011 0.000 1.067 1206 A CA -0.119 51.805 52.037 -0.189 0.000 0.683 1206 A CB 0.768 19.340 19.000 -0.713 0.000 1.281 1206 A HN 0.882 nan 8.150 nan 0.000 0.407 1207 A N 0.941 123.829 122.820 0.114 0.000 2.024 1207 A HA -0.146 4.174 4.320 -0.001 0.000 0.220 1207 A C 1.942 179.569 177.584 0.071 0.000 1.164 1207 A CA 1.914 54.013 52.037 0.103 0.000 0.643 1207 A CB -0.528 18.561 19.000 0.148 0.000 0.806 1207 A HN 1.031 nan 8.150 nan 0.000 0.451 1208 R N -1.040 119.487 120.500 0.045 0.000 2.235 1208 R HA 0.003 4.342 4.340 -0.001 0.000 0.213 1208 R C 0.511 176.899 176.300 0.147 0.000 1.059 1208 R CA 1.448 57.587 56.100 0.064 0.000 0.997 1208 R CB -0.353 29.945 30.300 -0.004 0.000 0.884 1208 R HN 0.302 nan 8.270 nan 0.000 0.462 1209 N N 0.043 118.802 118.700 0.098 0.000 2.230 1209 N HA 0.103 4.843 4.740 -0.001 0.000 0.202 1209 N C -0.862 174.686 175.510 0.064 0.000 1.119 1209 N CA -0.029 53.108 53.050 0.144 0.000 0.851 1209 N CB 0.492 39.045 38.487 0.111 0.000 0.990 1209 N HN 0.157 nan 8.380 nan 0.000 0.497 1210 C N 1.621 120.946 119.300 0.042 0.000 2.355 1210 C HA 0.535 4.994 4.460 -0.001 0.000 0.332 1210 C C 0.295 175.263 174.990 -0.036 0.000 1.255 1210 C CA -0.909 58.103 59.018 -0.011 0.000 1.792 1210 C CB 0.644 28.375 27.740 -0.015 0.000 2.300 1210 C HN 0.183 nan 8.230 nan 0.000 0.515 1211 M N 2.915 122.463 119.600 -0.086 0.000 2.528 1211 M HA 0.608 5.088 4.480 -0.001 0.000 0.318 1211 M C -0.668 175.539 176.300 -0.156 0.000 1.195 1211 M CA -0.924 54.307 55.300 -0.115 0.000 1.000 1211 M CB 1.108 33.614 32.600 -0.158 0.000 1.615 1211 M HN 0.436 nan 8.290 nan 0.000 0.469 1212 L N 2.745 123.857 121.223 -0.185 0.000 2.406 1212 L HA 0.423 4.762 4.340 -0.001 0.000 0.272 1212 L C -0.652 176.093 176.870 -0.208 0.000 0.980 1212 L CA -0.353 54.346 54.840 -0.236 0.000 0.831 1212 L CB 1.089 42.908 42.059 -0.400 0.000 1.253 1212 L HN 0.754 nan 8.230 nan 0.000 0.406 1213 D N 3.043 123.327 120.400 -0.193 0.000 2.506 1213 D HA 0.105 4.745 4.640 -0.001 0.000 0.272 1213 D C 0.795 176.955 176.300 -0.234 0.000 1.214 1213 D CA -0.155 53.712 54.000 -0.222 0.000 1.067 1213 D CB 0.486 41.176 40.800 -0.183 0.000 1.117 1213 D HN 0.607 nan 8.370 nan 0.000 0.578 1214 E N 0.077 120.116 120.200 -0.269 0.000 2.265 1214 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 1214 E C 0.599 176.953 176.600 -0.411 0.000 0.996 1214 E CA 1.034 57.247 56.400 -0.312 0.000 0.832 1214 E CB -0.212 29.372 29.700 -0.194 0.000 0.756 1214 E HN 0.423 nan 8.360 nan 0.000 0.491 1215 K N -0.084 120.150 120.400 -0.276 0.000 2.372 1215 K HA 0.095 4.414 4.320 -0.001 0.000 0.200 1215 K C -0.453 176.149 176.600 0.003 0.000 1.022 1215 K CA -0.205 56.006 56.287 -0.126 0.000 1.125 1215 K CB 0.115 32.596 32.500 -0.031 0.000 0.855 1215 K HN 0.050 nan 8.250 nan 0.000 0.524 1216 F N 0.448 120.398 119.950 -0.001 0.000 3.058 1216 F HA -0.216 4.311 4.527 -0.001 0.000 0.295 1216 F C -0.141 175.673 175.800 0.024 0.000 0.875 1216 F CA 0.423 58.402 58.000 -0.035 0.000 1.150 1216 F CB -2.765 36.237 39.000 0.003 0.000 1.175 1216 F HN -0.185 nan 8.300 nan 0.000 0.599 1217 T N 0.830 115.417 114.554 0.056 0.000 2.767 1217 T HA 0.610 4.959 4.350 -0.001 0.000 0.288 1217 T C 0.370 175.059 174.700 -0.019 0.000 0.963 1217 T CA -0.617 61.501 62.100 0.031 0.000 1.019 1217 T CB 1.851 70.704 68.868 -0.025 0.000 0.923 1217 T HN 0.033 nan 8.240 nan 0.000 0.468 1218 V N 5.321 125.243 119.914 0.012 0.000 2.488 1218 V HA 0.292 4.411 4.120 -0.001 0.000 0.277 1218 V C 0.284 176.351 176.094 -0.046 0.000 1.046 1218 V CA -0.454 61.821 62.300 -0.042 0.000 0.986 1218 V CB 0.642 32.474 31.823 0.015 0.000 0.989 1218 V HN 0.666 nan 8.190 nan 0.000 0.475 1219 K N 4.232 124.586 120.400 -0.077 0.000 2.394 1219 K HA 0.450 4.770 4.320 -0.001 0.000 0.260 1219 K C -0.829 175.732 176.600 -0.064 0.000 0.967 1219 K CA -0.667 55.576 56.287 -0.074 0.000 0.855 1219 K CB 2.001 34.441 32.500 -0.100 0.000 1.101 1219 K HN 0.416 nan 8.250 nan 0.000 0.433 1220 V N 2.504 122.391 119.914 -0.045 0.000 2.529 1220 V HA 0.305 4.425 4.120 -0.001 0.000 0.292 1220 V C 0.618 176.722 176.094 0.016 0.000 1.028 1220 V CA 0.151 62.443 62.300 -0.013 0.000 1.074 1220 V CB 0.523 32.331 31.823 -0.025 0.000 0.958 1220 V HN 0.952 nan 8.190 nan 0.000 0.481 1221 A N 4.054 126.915 122.820 0.070 0.000 2.583 1221 A HA 0.830 5.150 4.320 -0.001 0.000 0.299 1221 A C -1.299 176.364 177.584 0.131 0.000 1.258 1221 A CA -0.468 51.590 52.037 0.035 0.000 0.682 1221 A CB 1.834 20.746 19.000 -0.147 0.000 1.332 1221 A HN 0.606 nan 8.150 nan 0.000 0.485 1222 D N -0.670 119.721 120.400 -0.015 0.000 2.470 1222 D HA 0.323 4.963 4.640 -0.001 0.000 0.233 1222 D C -1.500 174.793 176.300 -0.013 0.000 1.372 1222 D CA -0.207 53.816 54.000 0.039 0.000 0.994 1222 D CB 0.687 41.479 40.800 -0.014 0.000 1.377 1222 D HN 0.298 nan 8.370 nan 0.000 0.586 1223 F N 2.567 122.541 119.950 0.040 0.000 2.600 1223 F HA 0.325 4.851 4.527 -0.001 0.000 0.369 1223 F C 1.377 177.208 175.800 0.050 0.000 1.164 1223 F CA 0.666 58.688 58.000 0.037 0.000 1.375 1223 F CB 0.182 39.205 39.000 0.037 0.000 1.633 1223 F HN 0.380 nan 8.300 nan 0.000 0.624 1240 K N 2.263 122.730 120.400 0.112 0.000 3.278 1240 K HA 0.384 4.703 4.320 -0.001 0.000 0.200 1240 K C -0.302 176.381 176.600 0.139 0.000 1.107 1240 K CA -0.560 55.823 56.287 0.160 0.000 0.923 1240 K CB 1.015 33.605 32.500 0.150 0.000 0.787 1240 K HN 0.398 nan 8.250 nan 0.000 0.481 1241 T N -0.681 113.961 114.554 0.148 0.000 4.092 1241 T HA 0.058 4.407 4.350 -0.001 0.000 0.304 1241 T C 0.432 175.222 174.700 0.151 0.000 0.902 1241 T CA -0.008 62.182 62.100 0.150 0.000 0.772 1241 T CB 0.169 69.090 68.868 0.088 0.000 1.138 1241 T HN 0.505 nan 8.240 nan 0.000 0.781 1242 G N 0.346 109.239 108.800 0.156 0.000 2.636 1242 G HA2 0.504 4.464 3.960 -0.001 0.000 0.246 1242 G HA3 0.504 4.464 3.960 -0.001 0.000 0.246 1242 G C 1.211 176.237 174.900 0.209 0.000 1.216 1242 G CA 0.223 45.398 45.100 0.126 0.000 0.854 1242 G HN 0.363 nan 8.290 nan 0.000 0.572 1243 A N 0.198 123.076 122.820 0.098 0.000 2.123 1243 A HA 0.130 4.450 4.320 -0.001 0.000 0.214 1243 A C 2.102 179.862 177.584 0.293 0.000 1.152 1243 A CA 1.090 53.206 52.037 0.131 0.000 0.728 1243 A CB -0.095 18.874 19.000 -0.051 0.000 0.814 1243 A HN 0.558 nan 8.150 nan 0.000 0.464 1244 K N -0.142 120.367 120.400 0.181 0.000 2.504 1244 K HA 0.172 4.491 4.320 -0.001 0.000 0.195 1244 K C 0.138 176.834 176.600 0.159 0.000 1.036 1244 K CA -0.039 56.332 56.287 0.139 0.000 0.984 1244 K CB -0.220 32.325 32.500 0.074 0.000 0.788 1244 K HN 0.379 nan 8.250 nan 0.000 0.488 1245 L N 3.618 124.977 121.223 0.226 0.000 2.615 1245 L HA -0.000 4.339 4.340 -0.001 0.000 0.271 1245 L C -1.780 175.157 176.870 0.113 0.000 1.183 1245 L CA -0.661 54.282 54.840 0.172 0.000 0.933 1245 L CB 0.263 42.447 42.059 0.208 0.000 1.199 1245 L HN -0.003 nan 8.230 nan 0.000 0.487 1246 P HA -0.007 nan 4.420 nan 0.000 0.226 1246 P C 1.150 178.600 177.300 0.250 0.000 1.783 1246 P CA -0.096 63.120 63.100 0.193 0.000 0.980 1246 P CB -0.040 31.729 31.700 0.114 0.000 1.967 1247 V N 0.136 120.066 119.914 0.026 0.000 2.568 1247 V HA -0.241 3.878 4.120 -0.001 0.000 0.253 1247 V C 1.770 177.849 176.094 -0.025 0.000 1.072 1247 V CA 1.350 63.574 62.300 -0.126 0.000 1.084 1247 V CB -1.217 30.290 31.823 -0.526 0.000 0.676 1247 V HN 0.163 nan 8.190 nan 0.000 0.469 1248 K N -1.095 119.376 120.400 0.118 0.000 2.504 1248 K HA -0.026 4.294 4.320 -0.001 0.000 0.195 1248 K C 1.567 178.123 176.600 -0.073 0.000 1.036 1248 K CA 1.176 57.460 56.287 -0.004 0.000 0.984 1248 K CB -0.113 32.337 32.500 -0.084 0.000 0.788 1248 K HN 0.701 nan 8.250 nan 0.000 0.488 1249 W N 0.339 121.732 121.300 0.154 0.000 3.008 1249 W HA 0.260 4.920 4.660 -0.001 0.000 0.355 1249 W C 0.260 176.922 176.519 0.237 0.000 1.095 1249 W CA -0.433 57.065 57.345 0.255 0.000 1.738 1249 W CB 0.324 29.916 29.460 0.220 0.000 1.091 1249 W HN -0.047 nan 8.180 nan 0.000 0.574 1250 M N 0.607 120.321 119.600 0.190 0.000 2.249 1250 M HA 0.385 4.864 4.480 -0.001 0.000 0.351 1250 M C 0.604 176.462 176.300 -0.737 0.000 1.180 1250 M CA -0.174 55.066 55.300 -0.100 0.000 1.127 1250 M CB 1.312 33.871 32.600 -0.069 0.000 1.546 1250 M HN -0.263 nan 8.290 nan 0.000 0.461 1251 A N 2.912 125.159 122.820 -0.955 0.000 2.386 1251 A HA 0.306 4.626 4.320 -0.001 0.000 0.248 1251 A C 1.008 177.983 177.584 -1.015 0.000 1.082 1251 A CA -0.424 50.643 52.037 -1.617 0.000 0.789 1251 A CB 0.231 18.819 19.000 -0.687 0.000 1.025 1251 A HN 1.044 nan 8.150 nan 0.000 0.490 1252 L N 0.651 121.275 121.223 -0.998 0.000 2.013 1252 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 1252 L C 2.827 179.501 176.870 -0.328 0.000 1.073 1252 L CA 2.097 56.651 54.840 -0.478 0.000 0.753 1252 L CB -0.502 41.402 42.059 -0.259 0.000 0.890 1252 L HN 0.985 nan 8.230 nan 0.000 0.432 1253 E N -0.198 119.832 120.200 -0.283 0.000 2.153 1253 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 1253 E C 1.925 178.359 176.600 -0.278 0.000 0.988 1253 E CA 1.850 58.122 56.400 -0.214 0.000 0.811 1253 E CB -0.363 29.250 29.700 -0.145 0.000 0.746 1253 E HN 0.476 nan 8.360 nan 0.000 0.466 1254 S N 1.024 116.488 115.700 -0.395 0.000 2.414 1254 S HA 0.087 4.557 4.470 -0.001 0.000 0.227 1254 S C 2.153 176.509 174.600 -0.407 0.000 1.022 1254 S CA 0.526 58.395 58.200 -0.551 0.000 0.958 1254 S CB -0.176 62.483 63.200 -0.902 0.000 0.797 1254 S HN 0.171 nan 8.310 nan 0.000 0.493 1255 L N 1.225 122.250 121.223 -0.329 0.000 2.093 1255 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 1255 L C 2.659 179.435 176.870 -0.157 0.000 1.085 1255 L CA 1.174 55.874 54.840 -0.233 0.000 0.755 1255 L CB -0.455 41.453 42.059 -0.252 0.000 0.904 1255 L HN 0.330 nan 8.230 nan 0.000 0.435 1256 Q N -0.872 118.831 119.800 -0.162 0.000 2.036 1256 Q HA -0.047 4.292 4.340 -0.001 0.000 0.195 1256 Q C 0.915 176.858 176.000 -0.095 0.000 0.971 1256 Q CA 1.416 57.154 55.803 -0.108 0.000 0.826 1256 Q CB 0.014 28.691 28.738 -0.102 0.000 0.896 1256 Q HN 0.432 nan 8.270 nan 0.000 0.449 1257 T N -1.600 112.879 114.554 -0.126 0.000 2.788 1257 T HA 0.256 4.606 4.350 -0.001 0.000 0.296 1257 T C -0.045 174.557 174.700 -0.163 0.000 1.009 1257 T CA -0.692 61.344 62.100 -0.108 0.000 0.949 1257 T CB 1.435 70.246 68.868 -0.095 0.000 0.946 1257 T HN -0.115 nan 8.240 nan 0.000 0.453 1258 Q N 2.630 122.364 119.800 -0.110 0.000 2.263 1258 Q HA 0.043 4.383 4.340 -0.001 0.000 0.175 1258 Q C 0.441 176.345 176.000 -0.161 0.000 0.826 1258 Q CA 0.453 56.180 55.803 -0.127 0.000 1.045 1258 Q CB -0.664 28.100 28.738 0.044 0.000 1.140 1258 Q HN 0.813 nan 8.270 nan 0.000 0.461 1259 K N -0.852 119.390 120.400 -0.263 0.000 2.211 1259 K HA 0.392 4.711 4.320 -0.001 0.000 0.275 1259 K C -1.053 175.342 176.600 -0.341 0.000 1.024 1259 K CA -0.430 55.760 56.287 -0.163 0.000 0.887 1259 K CB 0.790 33.232 32.500 -0.097 0.000 1.084 1259 K HN -0.174 nan 8.250 nan 0.000 0.463 1260 F N 1.626 121.567 119.950 -0.015 0.000 2.469 1260 F HA 0.420 4.947 4.527 -0.001 0.000 0.332 1260 F C 0.592 176.390 175.800 -0.004 0.000 1.103 1260 F CA -0.314 57.683 58.000 -0.006 0.000 0.979 1260 F CB 2.313 41.311 39.000 -0.003 0.000 1.137 1260 F HN 0.831 nan 8.300 nan 0.000 0.463 1261 T N -2.584 112.076 114.554 0.176 0.000 2.716 1261 T HA 0.293 4.642 4.350 -0.001 0.000 0.286 1261 T C 0.616 175.404 174.700 0.147 0.000 1.052 1261 T CA -0.537 61.633 62.100 0.116 0.000 1.024 1261 T CB 1.368 70.273 68.868 0.061 0.000 1.349 1261 T HN 0.386 nan 8.240 nan 0.000 0.525 1262 T N 0.597 115.225 114.554 0.123 0.000 2.867 1262 T HA 0.005 4.354 4.350 -0.001 0.000 0.268 1262 T C 1.647 176.436 174.700 0.148 0.000 1.057 1262 T CA 0.893 63.097 62.100 0.173 0.000 1.136 1262 T CB -0.303 68.656 68.868 0.152 0.000 0.874 1262 T HN 0.405 nan 8.240 nan 0.000 0.466 1263 K N 1.643 122.096 120.400 0.089 0.000 2.288 1263 K HA 0.073 4.392 4.320 -0.001 0.000 0.201 1263 K C 2.501 179.187 176.600 0.143 0.000 1.048 1263 K CA 0.745 57.071 56.287 0.064 0.000 0.956 1263 K CB -0.486 32.040 32.500 0.043 0.000 0.746 1263 K HN 0.517 nan 8.250 nan 0.000 0.461 1264 S N -0.171 115.630 115.700 0.168 0.000 2.501 1264 S HA -0.002 4.467 4.470 -0.001 0.000 0.220 1264 S C 1.197 175.999 174.600 0.336 0.000 0.997 1264 S CA 0.410 58.736 58.200 0.211 0.000 0.919 1264 S CB 0.109 63.374 63.200 0.108 0.000 0.778 1264 S HN 0.074 nan 8.310 nan 0.000 0.523 1265 D N 1.589 122.196 120.400 0.345 0.000 2.234 1265 D HA 0.086 4.726 4.640 -0.001 0.000 0.205 1265 D C 2.004 178.596 176.300 0.486 0.000 0.962 1265 D CA 0.494 54.761 54.000 0.446 0.000 0.855 1265 D CB -0.143 40.959 40.800 0.503 0.000 0.951 1265 D HN 0.302 nan 8.370 nan 0.000 0.500 1266 V N 0.925 120.973 119.914 0.223 0.000 2.295 1266 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 1266 V C 2.218 178.493 176.094 0.301 0.000 1.049 1266 V CA 1.236 63.526 62.300 -0.016 0.000 1.024 1266 V CB -0.443 31.216 31.823 -0.272 0.000 0.648 1266 V HN 0.377 nan 8.190 nan 0.000 0.447 1267 W N 1.221 122.645 121.300 0.206 0.000 2.318 1267 W HA -0.235 4.425 4.660 -0.001 0.000 0.313 1267 W C 2.527 179.314 176.519 0.447 0.000 1.221 1267 W CA 2.314 59.876 57.345 0.362 0.000 1.266 1267 W CB -0.707 28.938 29.460 0.309 0.000 1.150 1267 W HN 0.320 nan 8.180 nan 0.000 0.496 1268 S N 0.490 116.674 115.700 0.807 0.000 2.399 1268 S HA -0.220 4.249 4.470 -0.001 0.000 0.231 1268 S C 1.532 176.493 174.600 0.601 0.000 1.022 1268 S CA 1.526 60.162 58.200 0.726 0.000 0.983 1268 S CB -0.927 62.637 63.200 0.606 0.000 0.803 1268 S HN 0.346 nan 8.310 nan 0.000 0.480 1269 F N 2.551 122.743 119.950 0.403 0.000 2.146 1269 F HA 0.061 4.588 4.527 -0.001 0.000 0.298 1269 F C 2.235 178.166 175.800 0.218 0.000 1.096 1269 F CA 1.179 59.375 58.000 0.327 0.000 1.275 1269 F CB -0.977 38.262 39.000 0.398 0.000 1.008 1269 F HN 0.197 nan 8.300 nan 0.000 0.480 1270 G N 0.091 108.923 108.800 0.053 0.000 2.442 1270 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.219 1270 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.219 1270 G C 1.670 176.587 174.900 0.028 0.000 1.141 1270 G CA 1.271 46.192 45.100 -0.298 0.000 0.763 1270 G HN 0.354 nan 8.290 nan 0.000 0.554 1271 V N 0.676 120.819 119.914 0.381 0.000 2.548 1271 V HA -0.034 4.086 4.120 -0.001 0.000 0.249 1271 V C 2.596 178.871 176.094 0.301 0.000 1.055 1271 V CA 1.357 63.858 62.300 0.336 0.000 1.065 1271 V CB -0.233 31.623 31.823 0.055 0.000 0.681 1271 V HN 0.411 nan 8.190 nan 0.000 0.462 1272 L N -0.686 120.696 121.223 0.264 0.000 2.141 1272 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 1272 L C 2.249 179.144 176.870 0.041 0.000 1.094 1272 L CA 1.498 56.466 54.840 0.213 0.000 0.763 1272 L CB -0.130 42.019 42.059 0.150 0.000 0.908 1272 L HN 0.223 nan 8.230 nan 0.000 0.437 1273 L N -1.528 119.602 121.223 -0.156 0.000 2.083 1273 L HA -0.233 4.106 4.340 -0.001 0.000 0.209 1273 L C 2.295 179.188 176.870 0.038 0.000 1.083 1273 L CA 1.588 56.336 54.840 -0.154 0.000 0.752 1273 L CB -0.566 41.315 42.059 -0.297 0.000 0.899 1273 L HN 0.505 nan 8.230 nan 0.000 0.433 1274 W N 1.239 122.515 121.300 -0.039 0.000 2.379 1274 W HA -0.183 4.477 4.660 -0.001 0.000 0.307 1274 W C 2.445 178.950 176.519 -0.023 0.000 1.200 1274 W CA 1.501 58.852 57.345 0.010 0.000 1.297 1274 W CB 0.037 29.547 29.460 0.082 0.000 1.140 1274 W HN 0.062 nan 8.180 nan 0.000 0.507 1275 E N 0.060 120.429 120.200 0.282 0.000 2.118 1275 E HA -0.253 4.096 4.350 -0.001 0.000 0.195 1275 E C 2.212 178.792 176.600 -0.035 0.000 0.992 1275 E CA 1.541 58.018 56.400 0.129 0.000 0.804 1275 E CB -0.508 29.368 29.700 0.293 0.000 0.741 1275 E HN 0.363 nan 8.360 nan 0.000 0.458 1276 L N 0.203 121.429 121.223 0.006 0.000 1.988 1276 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 1276 L C 2.411 179.234 176.870 -0.078 0.000 1.071 1276 L CA 0.814 55.657 54.840 0.006 0.000 0.744 1276 L CB -0.293 41.791 42.059 0.041 0.000 0.893 1276 L HN 0.252 nan 8.230 nan 0.000 0.433 1277 M N -0.594 118.921 119.600 -0.141 0.000 2.549 1277 M HA -0.080 4.400 4.480 -0.001 0.000 0.260 1277 M C 1.986 178.124 176.300 -0.270 0.000 1.076 1277 M CA 1.426 56.619 55.300 -0.178 0.000 1.090 1277 M CB -1.500 31.012 32.600 -0.147 0.000 1.418 1277 M HN 0.392 nan 8.290 nan 0.000 0.486 1278 T N -3.429 110.858 114.554 -0.445 0.000 3.069 1278 T HA 0.251 4.601 4.350 -0.001 0.000 0.252 1278 T C 0.731 175.248 174.700 -0.306 0.000 1.053 1278 T CA -0.346 61.445 62.100 -0.516 0.000 0.964 1278 T CB 0.026 68.256 68.868 -1.063 0.000 1.005 1278 T HN 0.427 nan 8.240 nan 0.000 0.532 1279 R N 0.654 121.043 120.500 -0.186 0.000 3.336 1279 R HA -0.139 4.200 4.340 -0.001 0.000 0.260 1279 R C 0.984 177.243 176.300 -0.069 0.000 1.032 1279 R CA 0.392 56.440 56.100 -0.086 0.000 0.693 1279 R CB -2.214 28.048 30.300 -0.064 0.000 1.134 1279 R HN 0.965 nan 8.270 nan 0.000 0.433 1280 G N -1.748 107.011 108.800 -0.068 0.000 2.132 1280 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.228 1280 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.228 1280 G C 0.226 175.119 174.900 -0.012 0.000 1.000 1280 G CA 0.161 45.266 45.100 0.007 0.000 0.693 1280 G HN 0.868 nan 8.290 nan 0.000 0.515 1281 A N 0.829 123.535 122.820 -0.190 0.000 2.462 1281 A HA 0.652 4.971 4.320 -0.001 0.000 0.243 1281 A C -1.115 176.519 177.584 0.083 0.000 1.076 1281 A CA -0.575 51.309 52.037 -0.255 0.000 0.773 1281 A CB 0.335 18.709 19.000 -1.044 0.000 1.010 1281 A HN 0.296 nan 8.150 nan 0.000 0.493 1282 P HA 0.223 nan 4.420 nan 0.000 0.276 1282 P C -2.766 174.706 177.300 0.286 0.000 1.235 1282 P CA -1.216 62.059 63.100 0.291 0.000 0.772 1282 P CB 0.366 32.228 31.700 0.271 0.000 0.871 1283 P HA 0.075 nan 4.420 nan 0.000 0.276 1283 P C -0.560 176.558 177.300 -0.303 0.000 1.230 1283 P CA -0.140 62.637 63.100 -0.538 0.000 0.776 1283 P CB -0.018 31.119 31.700 -0.938 0.000 0.888 1284 Y N 1.296 121.416 120.300 -0.299 0.000 2.988 1284 Y HA -0.193 4.356 4.550 -0.001 0.000 0.193 1284 Y C -0.896 174.930 175.900 -0.123 0.000 1.388 1284 Y CA -0.344 57.604 58.100 -0.254 0.000 0.904 1284 Y CB -2.411 35.788 38.460 -0.436 0.000 1.297 1284 Y HN 0.444 nan 8.280 nan 0.000 0.432 1285 P HA -0.237 nan 4.420 nan 0.000 0.215 1285 P C 1.341 178.670 177.300 0.049 0.000 1.157 1285 P CA 2.317 65.493 63.100 0.126 0.000 0.868 1285 P CB 0.137 31.934 31.700 0.161 0.000 0.788 1286 D N 0.411 120.822 120.400 0.018 0.000 2.182 1286 D HA -0.121 4.518 4.640 -0.001 0.000 0.201 1286 D C 1.289 177.562 176.300 -0.044 0.000 0.986 1286 D CA 0.832 54.826 54.000 -0.009 0.000 0.847 1286 D CB -1.048 39.753 40.800 0.001 0.000 0.942 1286 D HN 0.177 nan 8.370 nan 0.000 0.467 1287 V N 1.848 121.694 119.914 -0.112 0.000 2.169 1287 V HA 0.120 4.239 4.120 -0.001 0.000 0.271 1287 V C 0.020 176.055 176.094 -0.098 0.000 1.372 1287 V CA -0.623 61.574 62.300 -0.171 0.000 1.348 1287 V CB -0.754 30.808 31.823 -0.435 0.000 1.379 1287 V HN -0.042 nan 8.190 nan 0.000 0.491 1288 N N 2.975 121.660 118.700 -0.024 0.000 2.626 1288 N HA 0.003 4.742 4.740 -0.001 0.000 0.226 1288 N C 0.566 176.099 175.510 0.038 0.000 1.376 1288 N CA 0.465 53.529 53.050 0.023 0.000 0.894 1288 N CB 0.380 38.892 38.487 0.042 0.000 1.218 1288 N HN 0.708 nan 8.380 nan 0.000 0.492 1289 T N -1.881 112.682 114.554 0.014 0.000 2.766 1289 T HA 0.392 4.742 4.350 -0.001 0.000 0.245 1289 T C 0.185 174.969 174.700 0.140 0.000 1.045 1289 T CA -0.276 61.866 62.100 0.070 0.000 1.038 1289 T CB 0.477 69.373 68.868 0.047 0.000 2.089 1289 T HN 0.067 nan 8.240 nan 0.000 0.546 1290 F N -0.593 119.336 119.950 -0.035 0.000 2.856 1290 F HA 0.404 4.931 4.527 -0.001 0.000 0.338 1290 F C 0.783 176.552 175.800 -0.051 0.000 1.005 1290 F CA -0.271 57.713 58.000 -0.027 0.000 1.155 1290 F CB 0.951 39.946 39.000 -0.008 0.000 1.010 1290 F HN 0.357 nan 8.300 nan 0.000 0.587 1291 D N 1.491 121.953 120.400 0.103 0.000 3.008 1291 D HA 0.039 4.678 4.640 -0.001 0.000 0.242 1291 D C 1.479 177.741 176.300 -0.064 0.000 1.222 1291 D CA 0.310 54.327 54.000 0.027 0.000 0.883 1291 D CB -0.368 40.458 40.800 0.044 0.000 1.110 1291 D HN 0.348 nan 8.370 nan 0.000 0.455 1292 I N -0.310 120.167 120.570 -0.156 0.000 2.761 1292 I HA -0.166 4.003 4.170 -0.001 0.000 0.261 1292 I C 1.807 177.835 176.117 -0.147 0.000 1.198 1292 I CA 1.008 62.160 61.300 -0.247 0.000 1.482 1292 I CB 0.133 37.881 38.000 -0.420 0.000 1.100 1292 I HN 0.020 nan 8.210 nan 0.000 0.445 1293 T N -0.563 113.918 114.554 -0.121 0.000 2.759 1293 T HA -0.153 4.197 4.350 -0.001 0.000 0.269 1293 T C 1.957 176.631 174.700 -0.043 0.000 1.042 1293 T CA 1.667 63.710 62.100 -0.094 0.000 1.140 1293 T CB -0.553 68.261 68.868 -0.091 0.000 0.864 1293 T HN 0.196 nan 8.240 nan 0.000 0.455 1294 V N 0.354 120.259 119.914 -0.014 0.000 2.427 1294 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 1294 V C 2.045 178.151 176.094 0.019 0.000 1.051 1294 V CA 1.373 63.674 62.300 0.003 0.000 1.048 1294 V CB -0.754 31.078 31.823 0.014 0.000 0.666 1294 V HN 0.485 nan 8.190 nan 0.000 0.456 1295 Y N 0.640 120.875 120.300 -0.109 0.000 2.145 1295 Y HA -0.201 4.348 4.550 -0.001 0.000 0.286 1295 Y C 2.217 178.049 175.900 -0.113 0.000 1.145 1295 Y CA 1.727 59.757 58.100 -0.117 0.000 1.148 1295 Y CB -0.206 38.146 38.460 -0.180 0.000 0.981 1295 Y HN 0.134 nan 8.280 nan 0.000 0.507 1296 L N -0.254 120.974 121.223 0.009 0.000 2.046 1296 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 1296 L C 2.183 179.014 176.870 -0.066 0.000 1.077 1296 L CA 1.065 55.879 54.840 -0.044 0.000 0.747 1296 L CB -0.609 41.455 42.059 0.009 0.000 0.896 1296 L HN 0.266 nan 8.230 nan 0.000 0.432 1297 L N -0.348 120.842 121.223 -0.054 0.000 2.622 1297 L HA -0.133 4.207 4.340 -0.001 0.000 0.233 1297 L C 2.022 178.854 176.870 -0.064 0.000 1.156 1297 L CA 0.498 55.311 54.840 -0.045 0.000 0.866 1297 L CB -0.283 41.755 42.059 -0.035 0.000 0.980 1297 L HN 0.404 nan 8.230 nan 0.000 0.448 1298 Q N -0.200 119.534 119.800 -0.110 0.000 2.425 1298 Q HA 0.094 4.433 4.340 -0.001 0.000 0.204 1298 Q C 1.017 176.947 176.000 -0.117 0.000 0.933 1298 Q CA 0.500 56.230 55.803 -0.121 0.000 0.939 1298 Q CB 0.576 29.206 28.738 -0.181 0.000 1.044 1298 Q HN 0.509 nan 8.270 nan 0.000 0.513 1299 G N 1.169 109.901 108.800 -0.113 0.000 2.309 1299 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.183 1299 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.183 1299 G C -0.577 174.253 174.900 -0.116 0.000 1.063 1299 G CA -0.538 44.510 45.100 -0.086 0.000 0.768 1299 G HN 0.107 nan 8.290 nan 0.000 0.490 1300 R N -0.431 119.967 120.500 -0.170 0.000 2.711 1300 R HA 0.891 5.231 4.340 -0.001 0.000 0.284 1300 R C -0.114 176.131 176.300 -0.091 0.000 0.968 1300 R CA -0.958 55.021 56.100 -0.202 0.000 0.924 1300 R CB 1.563 31.528 30.300 -0.557 0.000 1.162 1300 R HN 0.141 nan 8.270 nan 0.000 0.465 1301 R N 1.220 121.697 120.500 -0.037 0.000 2.764 1301 R HA 0.384 4.724 4.340 -0.001 0.000 0.270 1301 R C -0.682 175.576 176.300 -0.070 0.000 1.014 1301 R CA -1.133 54.900 56.100 -0.112 0.000 0.904 1301 R CB 1.066 31.340 30.300 -0.042 0.000 1.236 1301 R HN 0.431 nan 8.270 nan 0.000 0.466 1302 L N 1.797 122.787 121.223 -0.388 0.000 2.483 1302 L HA 0.161 4.501 4.340 -0.001 0.000 0.275 1302 L C 0.615 177.573 176.870 0.147 0.000 1.220 1302 L CA 0.168 54.756 54.840 -0.420 0.000 0.833 1302 L CB 0.089 41.439 42.059 -1.182 0.000 1.102 1302 L HN 0.253 nan 8.230 nan 0.000 0.490 1303 L N 1.705 123.080 121.223 0.254 0.000 2.456 1303 L HA 0.235 4.574 4.340 -0.001 0.000 0.257 1303 L C 0.434 177.454 176.870 0.250 0.000 1.162 1303 L CA -0.372 54.636 54.840 0.280 0.000 0.808 1303 L CB 0.555 42.729 42.059 0.192 0.000 1.136 1303 L HN 0.601 nan 8.230 nan 0.000 0.466 1304 Q N 2.301 121.887 119.800 -0.357 0.000 2.307 1304 Q HA 0.219 4.558 4.340 -0.001 0.000 0.261 1304 Q C -2.258 173.614 176.000 -0.212 0.000 1.051 1304 Q CA -1.611 53.813 55.803 -0.631 0.000 0.911 1304 Q CB 0.870 28.885 28.738 -1.204 0.000 1.227 1304 Q HN 0.252 nan 8.270 nan 0.000 0.418 1305 P HA -0.106 nan 4.420 nan 0.000 0.267 1305 P C -0.187 176.998 177.300 -0.191 0.000 1.201 1305 P CA 0.241 63.227 63.100 -0.190 0.000 0.775 1305 P CB 0.579 32.089 31.700 -0.318 0.000 0.854 1306 E N 0.839 120.907 120.200 -0.221 0.000 2.130 1306 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 1306 E C 0.525 176.826 176.600 -0.498 0.000 0.998 1306 E CA 1.660 57.827 56.400 -0.389 0.000 0.806 1306 E CB -0.644 28.728 29.700 -0.547 0.000 0.738 1306 E HN 0.570 nan 8.360 nan 0.000 0.459 1307 Y N 0.076 120.305 120.300 -0.119 0.000 2.468 1307 Y HA 0.192 4.742 4.550 -0.001 0.000 0.268 1307 Y C 0.686 176.506 175.900 -0.134 0.000 1.177 1307 Y CA -0.786 57.237 58.100 -0.129 0.000 1.265 1307 Y CB 0.359 38.732 38.460 -0.145 0.000 1.103 1307 Y HN 0.075 nan 8.280 nan 0.000 0.522 1308 C N 5.098 124.376 119.300 -0.038 0.000 2.373 1308 C HA 0.386 4.845 4.460 -0.001 0.000 0.354 1308 C C -1.992 173.001 174.990 0.005 0.000 1.249 1308 C CA -2.534 56.467 59.018 -0.028 0.000 1.784 1308 C CB -0.433 27.290 27.740 -0.028 0.000 2.408 1308 C HN 0.168 nan 8.230 nan 0.000 0.542 1309 P HA 0.105 nan 4.420 nan 0.000 0.267 1309 P C 0.392 177.762 177.300 0.118 0.000 1.200 1309 P CA 0.398 63.574 63.100 0.127 0.000 0.772 1309 P CB 0.668 32.528 31.700 0.267 0.000 0.855 1310 D N 2.960 123.423 120.400 0.106 0.000 2.104 1310 D HA -0.136 4.504 4.640 -0.001 0.000 0.194 1310 D C -0.589 175.789 176.300 0.130 0.000 0.994 1310 D CA 1.893 55.960 54.000 0.113 0.000 0.830 1310 D CB -1.809 39.040 40.800 0.081 0.000 0.959 1310 D HN 0.438 nan 8.370 nan 0.000 0.452 1311 P HA -0.105 nan 4.420 nan 0.000 0.220 1311 P C 1.812 179.165 177.300 0.088 0.000 1.148 1311 P CA 0.692 63.847 63.100 0.091 0.000 0.803 1311 P CB 0.103 31.861 31.700 0.096 0.000 0.782 1312 L N -1.654 119.637 121.223 0.113 0.000 2.131 1312 L HA -0.064 4.275 4.340 -0.001 0.000 0.206 1312 L C 2.621 179.529 176.870 0.064 0.000 1.087 1312 L CA 1.433 56.324 54.840 0.085 0.000 0.767 1312 L CB -1.347 40.764 42.059 0.086 0.000 0.917 1312 L HN -0.183 nan 8.230 nan 0.000 0.441 1313 Y N 0.556 120.840 120.300 -0.025 0.000 2.242 1313 Y HA -0.196 4.354 4.550 -0.001 0.000 0.291 1313 Y C 2.340 178.190 175.900 -0.083 0.000 1.137 1313 Y CA 1.818 59.892 58.100 -0.044 0.000 1.181 1313 Y CB -0.102 38.364 38.460 0.011 0.000 0.989 1313 Y HN 0.337 nan 8.280 nan 0.000 0.527 1314 E N -0.886 119.288 120.200 -0.042 0.000 2.118 1314 E HA -0.199 4.150 4.350 -0.001 0.000 0.195 1314 E C 2.243 178.733 176.600 -0.183 0.000 0.992 1314 E CA 1.614 57.941 56.400 -0.121 0.000 0.804 1314 E CB -0.230 29.458 29.700 -0.021 0.000 0.741 1314 E HN 0.309 nan 8.360 nan 0.000 0.458 1315 V N 0.912 120.740 119.914 -0.144 0.000 2.307 1315 V HA -0.287 3.832 4.120 -0.001 0.000 0.245 1315 V C 2.253 178.149 176.094 -0.329 0.000 1.045 1315 V CA 1.670 63.879 62.300 -0.151 0.000 1.024 1315 V CB -0.347 31.446 31.823 -0.049 0.000 0.651 1315 V HN 0.321 nan 8.190 nan 0.000 0.449 1316 M N -0.669 118.644 119.600 -0.478 0.000 2.082 1316 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 1316 M C 2.097 177.647 176.300 -1.250 0.000 1.069 1316 M CA 2.055 56.765 55.300 -0.983 0.000 1.102 1316 M CB -0.481 31.530 32.600 -0.982 0.000 1.336 1316 M HN 0.270 nan 8.290 nan 0.000 0.404 1317 L N -0.678 120.066 121.223 -0.798 0.000 2.201 1317 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 1317 L C 2.289 178.977 176.870 -0.304 0.000 1.105 1317 L CA 1.080 55.642 54.840 -0.463 0.000 0.775 1317 L CB -0.644 41.190 42.059 -0.375 0.000 0.913 1317 L HN 0.288 nan 8.230 nan 0.000 0.440 1318 K N -0.574 119.656 120.400 -0.283 0.000 2.097 1318 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 1318 K C 2.162 178.687 176.600 -0.124 0.000 1.050 1318 K CA 1.224 57.436 56.287 -0.125 0.000 0.938 1318 K CB -0.208 32.234 32.500 -0.096 0.000 0.718 1318 K HN 0.325 nan 8.250 nan 0.000 0.442 1319 C N -0.163 118.945 119.300 -0.320 0.000 2.432 1319 C HA -0.067 4.392 4.460 -0.001 0.000 0.282 1319 C C 1.378 176.229 174.990 -0.231 0.000 1.388 1319 C CA 0.124 58.956 59.018 -0.309 0.000 1.777 1319 C CB -0.709 26.722 27.740 -0.515 0.000 1.882 1319 C HN 0.581 nan 8.230 nan 0.000 0.520 1320 W N -0.217 120.845 121.300 -0.398 0.000 3.223 1320 W HA 0.286 4.945 4.660 -0.001 0.000 0.389 1320 W C 0.964 177.320 176.519 -0.271 0.000 1.118 1320 W CA -0.727 56.144 57.345 -0.791 0.000 1.902 1320 W CB -1.520 27.306 29.460 -1.055 0.000 1.094 1320 W HN 0.403 nan 8.180 nan 0.000 0.666 1321 H N 2.730 121.829 119.070 0.048 0.000 3.115 1321 H HA -0.053 4.503 4.556 -0.001 0.000 0.324 1321 H C -1.336 174.110 175.328 0.196 0.000 1.007 1321 H CA -0.034 56.065 56.048 0.085 0.000 1.385 1321 H CB 1.160 30.950 29.762 0.047 0.000 1.351 1321 H HN -0.131 nan 8.280 nan 0.000 0.592 1322 P HA -0.081 nan 4.420 nan 0.000 0.218 1322 P C -0.226 177.266 177.300 0.320 0.000 1.149 1322 P CA 1.547 64.843 63.100 0.327 0.000 0.817 1322 P CB 0.278 32.091 31.700 0.187 0.000 0.785 1323 K N -0.010 120.635 120.400 0.408 0.000 2.250 1323 K HA 0.409 4.728 4.320 -0.001 0.000 0.280 1323 K C 1.200 177.807 176.600 0.012 0.000 1.098 1323 K CA -0.222 56.134 56.287 0.115 0.000 0.916 1323 K CB 0.758 33.253 32.500 -0.008 0.000 1.209 1323 K HN -0.106 nan 8.250 nan 0.000 0.461 1324 A N 3.648 126.504 122.820 0.059 0.000 1.954 1324 A HA -0.272 4.048 4.320 -0.001 0.000 0.222 1324 A C 1.938 179.508 177.584 -0.024 0.000 1.199 1324 A CA 2.125 54.191 52.037 0.048 0.000 0.657 1324 A CB -0.340 18.684 19.000 0.039 0.000 0.823 1324 A HN 0.863 nan 8.150 nan 0.000 0.463 1325 E N -1.307 118.856 120.200 -0.062 0.000 2.427 1325 E HA -0.099 4.250 4.350 -0.001 0.000 0.196 1325 E C 1.270 177.781 176.600 -0.148 0.000 1.028 1325 E CA 0.859 57.209 56.400 -0.083 0.000 0.864 1325 E CB -0.348 29.314 29.700 -0.062 0.000 0.813 1325 E HN 0.479 nan 8.360 nan 0.000 0.514 1326 M N 0.859 120.290 119.600 -0.281 0.000 2.556 1326 M HA 0.172 4.651 4.480 -0.001 0.000 0.245 1326 M C 0.668 176.792 176.300 -0.294 0.000 1.128 1326 M CA 0.069 55.099 55.300 -0.449 0.000 1.069 1326 M CB -0.485 31.385 32.600 -1.215 0.000 1.469 1326 M HN -0.078 nan 8.290 nan 0.000 0.494 1327 R N 1.746 122.147 120.500 -0.165 0.000 2.543 1327 R HA 0.176 4.516 4.340 -0.001 0.000 0.277 1327 R C -2.086 174.160 176.300 -0.090 0.000 1.074 1327 R CA -1.364 54.697 56.100 -0.064 0.000 1.076 1327 R CB 0.039 30.335 30.300 -0.006 0.000 0.993 1327 R HN 0.059 nan 8.270 nan 0.000 0.459 1328 P HA -0.031 nan 4.420 nan 0.000 0.269 1328 P C -0.558 176.637 177.300 -0.175 0.000 1.215 1328 P CA -0.183 62.851 63.100 -0.110 0.000 0.780 1328 P CB 0.937 32.578 31.700 -0.099 0.000 0.898 1329 S N 1.251 116.868 115.700 -0.139 0.000 2.603 1329 S HA 0.171 4.641 4.470 -0.001 0.000 0.268 1329 S C 1.063 175.549 174.600 -0.190 0.000 1.317 1329 S CA -0.346 57.763 58.200 -0.152 0.000 1.012 1329 S CB -0.066 63.102 63.200 -0.054 0.000 0.926 1329 S HN 0.220 nan 8.310 nan 0.000 0.539 1330 F N 1.302 121.188 119.950 -0.106 0.000 2.250 1330 F HA -0.053 4.473 4.527 -0.001 0.000 0.301 1330 F C 2.955 178.668 175.800 -0.146 0.000 1.077 1330 F CA 1.402 59.292 58.000 -0.183 0.000 1.348 1330 F CB -0.887 38.002 39.000 -0.186 0.000 1.040 1330 F HN 0.772 nan 8.300 nan 0.000 0.509 1331 S N -0.491 115.254 115.700 0.076 0.000 2.387 1331 S HA -0.211 4.259 4.470 -0.001 0.000 0.226 1331 S C 2.119 176.724 174.600 0.008 0.000 1.026 1331 S CA 1.391 59.611 58.200 0.034 0.000 0.972 1331 S CB -0.381 62.835 63.200 0.026 0.000 0.814 1331 S HN 0.546 nan 8.310 nan 0.000 0.477 1332 E N 0.237 120.429 120.200 -0.013 0.000 2.150 1332 E HA -0.068 4.282 4.350 -0.001 0.000 0.193 1332 E C 2.041 178.632 176.600 -0.016 0.000 0.985 1332 E CA 0.981 57.370 56.400 -0.018 0.000 0.814 1332 E CB -0.174 29.505 29.700 -0.035 0.000 0.752 1332 E HN 0.585 nan 8.360 nan 0.000 0.466 1333 L N 0.105 121.307 121.223 -0.036 0.000 2.027 1333 L HA -0.166 4.174 4.340 -0.001 0.000 0.206 1333 L C 2.522 179.399 176.870 0.012 0.000 1.074 1333 L CA 0.672 55.499 54.840 -0.021 0.000 0.745 1333 L CB -0.393 41.598 42.059 -0.113 0.000 0.898 1333 L HN 0.079 nan 8.230 nan 0.000 0.433 1334 V N -0.764 119.149 119.914 -0.001 0.000 2.282 1334 V HA -0.357 3.762 4.120 -0.001 0.000 0.249 1334 V C 2.727 178.835 176.094 0.023 0.000 1.057 1334 V CA 2.142 64.446 62.300 0.006 0.000 1.032 1334 V CB -0.562 31.260 31.823 -0.001 0.000 0.645 1334 V HN 0.496 nan 8.190 nan 0.000 0.447 1335 S N -0.418 115.295 115.700 0.021 0.000 2.359 1335 S HA -0.279 4.190 4.470 -0.001 0.000 0.222 1335 S C 2.180 176.804 174.600 0.041 0.000 1.038 1335 S CA 2.163 60.379 58.200 0.028 0.000 1.051 1335 S CB -0.275 62.936 63.200 0.019 0.000 0.944 1335 S HN 0.561 nan 8.310 nan 0.000 0.433 1336 R N 0.141 120.664 120.500 0.039 0.000 2.081 1336 R HA 0.037 4.376 4.340 -0.001 0.000 0.235 1336 R C 2.324 178.673 176.300 0.083 0.000 1.131 1336 R CA 1.823 57.954 56.100 0.052 0.000 0.960 1336 R CB -0.432 29.892 30.300 0.039 0.000 0.856 1336 R HN 0.505 nan 8.270 nan 0.000 0.436 1337 I N 0.492 121.119 120.570 0.094 0.000 2.439 1337 I HA -0.197 3.972 4.170 -0.001 0.000 0.251 1337 I C 2.199 178.403 176.117 0.145 0.000 1.139 1337 I CA 1.005 62.382 61.300 0.129 0.000 1.438 1337 I CB -0.256 37.832 38.000 0.145 0.000 1.085 1337 I HN 0.176 nan 8.210 nan 0.000 0.427 1338 S N 1.464 117.225 115.700 0.102 0.000 2.399 1338 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 1338 S C 2.192 176.912 174.600 0.199 0.000 1.022 1338 S CA 0.889 59.165 58.200 0.127 0.000 0.983 1338 S CB -0.504 62.738 63.200 0.071 0.000 0.803 1338 S HN 0.435 nan 8.310 nan 0.000 0.480 1339 A N 1.959 124.863 122.820 0.141 0.000 1.872 1339 A HA 0.207 4.526 4.320 -0.001 0.000 0.214 1339 A C 2.192 179.854 177.584 0.131 0.000 1.187 1339 A CA 1.100 53.204 52.037 0.112 0.000 0.614 1339 A CB -0.711 18.332 19.000 0.071 0.000 0.826 1339 A HN 0.514 nan 8.150 nan 0.000 0.442 1340 I N -1.586 119.089 120.570 0.176 0.000 2.315 1340 I HA -0.212 3.958 4.170 -0.001 0.000 0.248 1340 I C 2.347 178.685 176.117 0.369 0.000 1.117 1340 I CA 1.504 62.942 61.300 0.231 0.000 1.404 1340 I CB -0.293 37.856 38.000 0.249 0.000 1.071 1340 I HN 0.491 nan 8.210 nan 0.000 0.419 1341 F N 1.826 121.893 119.950 0.195 0.000 2.134 1341 F HA -0.265 4.262 4.527 -0.001 0.000 0.299 1341 F C 2.787 178.687 175.800 0.168 0.000 1.097 1341 F CA 1.675 59.796 58.000 0.201 0.000 1.264 1341 F CB -0.306 38.744 39.000 0.082 0.000 1.001 1341 F HN 0.096 nan 8.300 nan 0.000 0.479 1342 S N -0.854 114.905 115.700 0.097 0.000 2.469 1342 S HA -0.198 4.271 4.470 -0.001 0.000 0.238 1342 S C 1.887 176.393 174.600 -0.156 0.000 0.998 1342 S CA 1.307 59.465 58.200 -0.071 0.000 0.957 1342 S CB -1.519 61.710 63.200 0.048 0.000 0.764 1342 S HN 0.624 nan 8.310 nan 0.000 0.514 1343 T N -1.868 112.583 114.554 -0.171 0.000 3.113 1343 T HA 0.292 4.641 4.350 -0.001 0.000 0.256 1343 T C 0.173 174.548 174.700 -0.542 0.000 1.131 1343 T CA -0.365 61.531 62.100 -0.341 0.000 1.074 1343 T CB -0.623 68.000 68.868 -0.408 0.000 0.944 1343 T HN 0.296 nan 8.240 nan 0.000 0.516 1344 F N 1.368 121.181 119.950 -0.229 0.000 2.397 1344 F HA 0.518 5.045 4.527 -0.001 0.000 0.331 1344 F C 1.387 176.995 175.800 -0.320 0.000 1.090 1344 F CA -1.589 56.254 58.000 -0.261 0.000 1.065 1344 F CB 1.335 40.184 39.000 -0.252 0.000 1.184 1344 F HN -0.015 nan 8.300 nan 0.000 0.499 1345 I N -0.683 119.813 120.570 -0.123 0.000 4.187 1345 I HA 0.484 4.654 4.170 -0.001 0.000 0.326 1345 I C 0.888 176.902 176.117 -0.172 0.000 1.302 1345 I CA 0.357 61.559 61.300 -0.163 0.000 1.196 1345 I CB 0.607 38.517 38.000 -0.150 0.000 1.095 1345 I HN 0.755 nan 8.210 nan 0.000 0.411 1346 G N 3.329 112.012 108.800 -0.194 0.000 2.215 1346 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.198 1346 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.198 1346 G C 0.359 175.097 174.900 -0.270 0.000 1.047 1346 G CA 0.321 45.273 45.100 -0.247 0.000 0.747 1346 G HN 0.740 nan 8.290 nan 0.000 0.495 1347 E N -0.401 119.629 120.200 -0.284 0.000 2.526 1347 E HA 0.084 4.434 4.350 -0.001 0.000 0.208 1347 E C -0.368 176.200 176.600 -0.054 0.000 0.997 1347 E CA -0.383 55.922 56.400 -0.159 0.000 0.961 1347 E CB 0.321 29.939 29.700 -0.137 0.000 1.030 1347 E HN 0.467 nan 8.360 nan 0.000 0.483 1348 H N 0.887 119.875 119.070 -0.136 0.000 2.597 1348 H HA 0.262 4.817 4.556 -0.001 0.000 0.303 1348 H C -1.198 173.919 175.328 -0.351 0.000 1.057 1348 H CA -0.746 55.240 56.048 -0.104 0.000 1.261 1348 H CB -0.128 29.605 29.762 -0.049 0.000 1.397 1348 H HN 0.076 nan 8.280 nan 0.000 0.461 1349 Y N 1.518 121.734 120.300 -0.139 0.000 2.316 1349 Y HA 0.203 4.753 4.550 -0.001 0.000 0.331 1349 Y C 0.579 175.944 175.900 -0.891 0.000 1.083 1349 Y CA -0.488 57.372 58.100 -0.399 0.000 1.206 1349 Y CB 1.111 39.395 38.460 -0.293 0.000 1.195 1349 Y HN 0.266 nan 8.280 nan 0.000 0.497 1350 V N 4.566 124.031 119.914 -0.749 0.000 2.407 1350 V HA 0.239 4.358 4.120 -0.001 0.000 0.278 1350 V C -0.372 175.201 176.094 -0.868 0.000 1.037 1350 V CA -0.733 60.942 62.300 -1.043 0.000 0.900 1350 V CB 0.352 31.852 31.823 -0.539 0.000 0.983 1350 V HN 0.776 nan 8.190 nan 0.000 0.459 1351 H N 1.846 120.587 119.070 -0.548 0.000 2.615 1351 H HA 0.651 5.207 4.556 -0.001 0.000 0.346 1351 H C -0.088 175.246 175.328 0.011 0.000 1.200 1351 H CA -0.844 55.123 56.048 -0.134 0.000 1.264 1351 H CB 1.814 31.561 29.762 -0.025 0.000 1.699 1351 H HN 0.609 nan 8.280 nan 0.000 0.567 1352 V N 0.515 120.525 119.914 0.160 0.000 2.546 1352 V HA 0.179 4.298 4.120 -0.001 0.000 0.284 1352 V C 0.377 176.561 176.094 0.150 0.000 1.050 1352 V CA -0.856 61.512 62.300 0.113 0.000 0.981 1352 V CB 1.221 33.084 31.823 0.068 0.000 0.990 1352 V HN 0.777 nan 8.190 nan 0.000 0.474 1353 N N 3.967 122.760 118.700 0.155 0.000 2.452 1353 N HA 0.191 4.931 4.740 -0.001 0.000 0.266 1353 N C 1.185 176.788 175.510 0.155 0.000 1.175 1353 N CA 0.587 53.744 53.050 0.179 0.000 0.945 1353 N CB 1.800 40.451 38.487 0.274 0.000 1.063 1353 N HN 1.005 nan 8.380 nan 0.000 0.472 1354 A N 3.139 126.019 122.820 0.100 0.000 1.917 1354 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 1354 A C 2.016 179.629 177.584 0.048 0.000 1.182 1354 A CA 2.405 54.480 52.037 0.063 0.000 0.633 1354 A CB -1.001 18.021 19.000 0.037 0.000 0.819 1354 A HN 0.823 nan 8.150 nan 0.000 0.448 1355 T N -4.714 109.852 114.554 0.020 0.000 3.163 1355 T HA -0.008 4.342 4.350 -0.001 0.000 0.260 1355 T C 1.230 175.841 174.700 -0.149 0.000 1.156 1355 T CA 1.213 63.268 62.100 -0.074 0.000 1.072 1355 T CB -0.412 68.376 68.868 -0.132 0.000 0.937 1355 T HN 0.453 nan 8.240 nan 0.000 0.528 1356 Y N 0.067 120.389 120.300 0.037 0.000 2.430 1356 Y HA 0.488 5.038 4.550 -0.001 0.000 0.248 1356 Y C 1.080 177.005 175.900 0.042 0.000 1.108 1356 Y CA -0.981 57.146 58.100 0.046 0.000 1.264 1356 Y CB 0.569 39.052 38.460 0.037 0.000 1.172 1356 Y HN 0.027 nan 8.280 nan 0.000 0.520 1357 V N 2.889 122.901 119.914 0.164 0.000 2.458 1357 V HA -0.054 4.066 4.120 -0.001 0.000 0.287 1357 V C 0.201 176.344 176.094 0.082 0.000 1.009 1357 V CA 0.801 63.166 62.300 0.107 0.000 1.091 1357 V CB -0.058 31.810 31.823 0.075 0.000 0.960 1357 V HN 0.669 nan 8.190 nan 0.000 0.476 1358 N N 2.224 120.973 118.700 0.082 0.000 2.980 1358 N HA -0.152 4.588 4.740 -0.001 0.000 0.219 1358 N C -0.102 175.456 175.510 0.081 0.000 0.883 1358 N CA 1.008 54.099 53.050 0.068 0.000 1.018 1358 N CB -1.056 37.459 38.487 0.048 0.000 1.041 1358 N HN 0.438 nan 8.380 nan 0.000 0.592 1359 V N 1.670 121.650 119.914 0.110 0.000 2.572 1359 V HA 0.187 4.307 4.120 -0.001 0.000 0.291 1359 V C 0.856 177.039 176.094 0.148 0.000 1.039 1359 V CA 0.485 62.862 62.300 0.128 0.000 1.055 1359 V CB 1.223 33.144 31.823 0.165 0.000 0.969 1359 V HN 0.086 nan 8.190 nan 0.000 0.482 1360 K N 0.000 120.477 120.400 0.128 0.000 2.780 1360 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1360 K CA 0.000 56.365 56.287 0.130 0.000 0.838 1360 K CB 0.000 32.559 32.500 0.098 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543