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 2vfz_1_B DATA FIRST_RESID 1083 DATA SEQUENCE LKLSDWFNPF KRPEVVTMTK WKAPVVWEGT YNRAVLDNYY AKQKITVGLT DATA SEQUENCE VFAVGRYIEH YLEEFLTSAN KHFMVGHPVI FYIMVDDVSR MPLIELGPLR DATA SEQUENCE SFKVFKIKPE KRWQDISMMR MKTIGEHIVA HIQHEVDFLF CMDVDQVFQD DATA SEQUENCE KFGVETLGES VAQLQAWWYK ADPNDFTYER RKESAAYIPF GEGDFYYHAA DATA SEQUENCE IFGGTPTQVL NITQECFKGI LKDKKNDIEA QWHDESHLNK YFLLNKPTKI DATA SEQUENCE LSPEYCWDYH IGLPADIKLV KMSWQTKEYN V 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 1083 L HA 0.000 nan 4.340 nan 0.000 0.249 1083 L C 0.000 176.811 176.870 -0.098 0.000 1.165 1083 L CA 0.000 54.608 54.840 -0.387 0.000 0.813 1083 L CB 0.000 41.515 42.059 -0.906 0.000 0.961 1084 K N 3.043 123.437 120.400 -0.010 0.000 2.110 1084 K HA 0.368 4.686 4.320 -0.004 0.000 0.263 1084 K C 0.705 177.389 176.600 0.141 0.000 0.975 1084 K CA -0.629 55.694 56.287 0.061 0.000 0.895 1084 K CB 1.886 34.413 32.500 0.045 0.000 1.060 1084 K HN 0.762 nan 8.250 nan 0.000 0.448 1085 L N 3.081 124.373 121.223 0.114 0.000 2.265 1085 L HA -0.156 4.182 4.340 -0.004 0.000 0.215 1085 L C 1.899 178.680 176.870 -0.148 0.000 1.117 1085 L CA 1.979 56.824 54.840 0.007 0.000 0.782 1085 L CB -0.529 41.520 42.059 -0.016 0.000 0.914 1085 L HN 0.776 nan 8.230 nan 0.000 0.441 1086 S N -2.228 113.456 115.700 -0.027 0.000 2.453 1086 S HA -0.114 4.354 4.470 -0.004 0.000 0.231 1086 S C 1.547 176.146 174.600 -0.002 0.000 1.005 1086 S CA 0.846 59.033 58.200 -0.022 0.000 0.949 1086 S CB -0.503 62.706 63.200 0.014 0.000 0.774 1086 S HN 0.467 nan 8.310 nan 0.000 0.510 1087 D N 1.146 121.580 120.400 0.057 0.000 2.149 1087 D HA -0.017 4.621 4.640 -0.004 0.000 0.201 1087 D C 1.770 178.193 176.300 0.205 0.000 0.972 1087 D CA 1.287 55.360 54.000 0.123 0.000 0.835 1087 D CB -0.221 40.664 40.800 0.141 0.000 0.966 1087 D HN 0.834 nan 8.370 nan 0.000 0.476 1088 W N -1.107 120.242 121.300 0.081 0.000 2.942 1088 W HA 0.294 4.952 4.660 -0.002 0.000 0.260 1088 W C -0.113 176.545 176.519 0.231 0.000 1.101 1088 W CA -0.531 56.894 57.345 0.133 0.000 1.436 1088 W CB -0.407 29.126 29.460 0.121 0.000 0.883 1088 W HN -0.279 nan 8.180 nan 0.000 0.646 1089 F N 4.403 123.725 119.950 -1.047 0.000 2.404 1089 F HA 0.417 4.942 4.527 -0.004 0.000 0.345 1089 F C -0.400 175.157 175.800 -0.405 0.000 1.110 1089 F CA -1.193 56.223 58.000 -0.973 0.000 1.130 1089 F CB 0.903 38.990 39.000 -1.520 0.000 1.129 1089 F HN -0.110 nan 8.300 nan 0.000 0.500 1090 N N 7.331 125.554 118.700 -0.794 0.000 2.653 1090 N HA 0.343 5.081 4.740 -0.004 0.000 0.261 1090 N C -2.443 172.655 175.510 -0.687 0.000 1.216 1090 N CA -1.803 50.934 53.050 -0.522 0.000 0.784 1090 N CB 1.543 39.924 38.487 -0.177 0.000 1.327 1090 N HN 0.197 nan 8.380 nan 0.000 0.539 1091 P HA -0.047 nan 4.420 nan 0.000 0.226 1091 P C 0.913 177.938 177.300 -0.459 0.000 1.153 1091 P CA 0.684 63.362 63.100 -0.704 0.000 0.777 1091 P CB -0.026 31.292 31.700 -0.637 0.000 0.794 1092 F N 0.866 120.663 119.950 -0.256 0.000 2.307 1092 F HA -0.101 4.424 4.527 -0.004 0.000 0.301 1092 F C 2.330 178.029 175.800 -0.167 0.000 1.076 1092 F CA 0.979 58.872 58.000 -0.177 0.000 1.383 1092 F CB -0.644 38.268 39.000 -0.146 0.000 1.055 1092 F HN -0.150 nan 8.300 nan 0.000 0.526 1093 K N 0.066 120.442 120.400 -0.040 0.000 2.217 1093 K HA 0.011 4.329 4.320 -0.004 0.000 0.202 1093 K C 0.437 176.974 176.600 -0.106 0.000 1.051 1093 K CA 0.792 57.036 56.287 -0.071 0.000 0.952 1093 K CB 0.059 32.501 32.500 -0.096 0.000 0.736 1093 K HN 0.091 nan 8.250 nan 0.000 0.453 1094 R N 0.766 121.170 120.500 -0.160 0.000 2.585 1094 R HA 0.167 4.505 4.340 -0.004 0.000 0.278 1094 R C -2.079 174.069 176.300 -0.252 0.000 1.663 1094 R CA -1.501 54.467 56.100 -0.219 0.000 1.592 1094 R CB 0.879 31.015 30.300 -0.275 0.000 1.200 1094 R HN 0.009 nan 8.270 nan 0.000 0.611 1095 P HA -0.044 nan 4.420 nan 0.000 0.222 1095 P C 0.503 177.705 177.300 -0.164 0.000 1.153 1095 P CA 0.746 63.754 63.100 -0.153 0.000 0.798 1095 P CB 0.673 32.320 31.700 -0.088 0.000 0.796 1096 E N 0.092 120.180 120.200 -0.186 0.000 2.472 1096 E HA -0.008 4.340 4.350 -0.004 0.000 0.200 1096 E C 0.841 177.305 176.600 -0.227 0.000 1.046 1096 E CA 0.243 56.538 56.400 -0.174 0.000 0.871 1096 E CB -0.358 29.245 29.700 -0.162 0.000 0.806 1096 E HN 0.265 nan 8.360 nan 0.000 0.533 1097 V N -3.929 115.772 119.914 -0.355 0.000 3.102 1097 V HA 0.455 4.572 4.120 -0.004 0.000 0.312 1097 V C 0.115 176.055 176.094 -0.257 0.000 1.135 1097 V CA -1.420 60.630 62.300 -0.417 0.000 1.022 1097 V CB 1.920 33.056 31.823 -1.145 0.000 1.056 1097 V HN -0.320 nan 8.190 nan 0.000 0.436 1098 V N 2.622 122.528 119.914 -0.013 0.000 2.485 1098 V HA 0.240 4.357 4.120 -0.004 0.000 0.287 1098 V C 1.562 177.770 176.094 0.191 0.000 1.022 1098 V CA 1.044 63.414 62.300 0.118 0.000 1.067 1098 V CB 0.465 32.445 31.823 0.262 0.000 0.967 1098 V HN 1.220 nan 8.190 nan 0.000 0.479 1099 T N 1.295 115.919 114.554 0.117 0.000 3.010 1099 T HA 0.391 4.738 4.350 -0.004 0.000 0.257 1099 T C 0.286 175.132 174.700 0.243 0.000 1.020 1099 T CA -0.151 62.100 62.100 0.252 0.000 0.938 1099 T CB 0.346 69.268 68.868 0.090 0.000 1.049 1099 T HN 0.325 nan 8.240 nan 0.000 0.522 1100 M N 2.965 122.622 119.600 0.094 0.000 2.322 1100 M HA 0.376 4.854 4.480 -0.004 0.000 0.286 1100 M C -0.347 175.901 176.300 -0.086 0.000 1.111 1100 M CA -0.463 54.833 55.300 -0.007 0.000 0.941 1100 M CB 2.174 34.769 32.600 -0.007 0.000 1.671 1100 M HN 0.332 nan 8.290 nan 0.000 0.470 1101 T N -0.837 113.545 114.554 -0.288 0.000 2.788 1101 T HA 0.385 4.733 4.350 -0.004 0.000 0.280 1101 T C 1.148 175.619 174.700 -0.381 0.000 0.984 1101 T CA -0.528 61.279 62.100 -0.489 0.000 0.972 1101 T CB 1.079 69.052 68.868 -1.491 0.000 1.039 1101 T HN 0.828 nan 8.240 nan 0.000 0.530 1102 K N -0.415 119.841 120.400 -0.239 0.000 2.211 1102 K HA -0.052 4.266 4.320 -0.004 0.000 0.203 1102 K C 1.510 178.174 176.600 0.107 0.000 1.050 1102 K CA 0.990 57.289 56.287 0.019 0.000 0.945 1102 K CB -0.439 32.160 32.500 0.165 0.000 0.732 1102 K HN 0.881 nan 8.250 nan 0.000 0.451 1103 W N 1.406 122.773 121.300 0.111 0.000 3.438 1103 W HA 0.379 5.037 4.660 -0.004 0.000 0.322 1103 W C -0.474 176.092 176.519 0.078 0.000 1.261 1103 W CA -0.762 56.635 57.345 0.087 0.000 1.788 1103 W CB 0.468 29.983 29.460 0.091 0.000 1.065 1103 W HN -0.101 nan 8.180 nan 0.000 0.715 1104 K N -1.068 119.249 120.400 -0.139 0.000 3.467 1104 K HA -0.224 4.094 4.320 -0.004 0.000 0.309 1104 K C 0.320 176.818 176.600 -0.169 0.000 1.350 1104 K CA 1.256 57.477 56.287 -0.110 0.000 0.934 1104 K CB -2.265 30.247 32.500 0.020 0.000 1.312 1104 K HN 0.485 nan 8.250 nan 0.000 0.461 1105 A N 2.136 124.712 122.820 -0.407 0.000 2.363 1105 A HA 0.504 4.822 4.320 -0.004 0.000 0.270 1105 A C -1.892 175.532 177.584 -0.267 0.000 1.121 1105 A CA -0.912 50.986 52.037 -0.231 0.000 0.800 1105 A CB 0.322 19.274 19.000 -0.080 0.000 1.052 1105 A HN -0.015 nan 8.150 nan 0.000 0.493 1106 P HA 0.348 nan 4.420 nan 0.000 0.281 1106 P C -0.880 176.287 177.300 -0.222 0.000 1.249 1106 P CA -0.285 62.601 63.100 -0.356 0.000 0.810 1106 P CB 1.396 32.545 31.700 -0.917 0.000 1.008 1107 V N 3.007 122.904 119.914 -0.028 0.000 2.313 1107 V HA 0.117 4.235 4.120 -0.004 0.000 0.278 1107 V C 0.447 176.696 176.094 0.257 0.000 1.017 1107 V CA -0.841 61.499 62.300 0.065 0.000 0.823 1107 V CB 1.437 33.372 31.823 0.188 0.000 1.010 1107 V HN 0.256 nan 8.190 nan 0.000 0.443 1108 V N 4.793 124.760 119.914 0.090 0.000 2.446 1108 V HA 0.186 4.304 4.120 -0.004 0.000 0.276 1108 V C -0.359 175.885 176.094 0.249 0.000 1.030 1108 V CA -0.009 62.464 62.300 0.289 0.000 1.033 1108 V CB -0.186 31.698 31.823 0.102 0.000 0.993 1108 V HN 0.840 nan 8.190 nan 0.000 0.477 1109 W N 2.066 123.604 121.300 0.396 0.000 2.761 1109 W HA 0.548 5.206 4.660 -0.003 0.000 0.340 1109 W C 0.193 176.899 176.519 0.312 0.000 1.072 1109 W CA -0.974 56.535 57.345 0.273 0.000 1.215 1109 W CB 1.148 30.683 29.460 0.126 0.000 1.420 1109 W HN 0.488 nan 8.180 nan 0.000 0.519 1110 E N 0.921 121.393 120.200 0.452 0.000 2.558 1110 E HA 0.303 4.651 4.350 -0.004 0.000 0.255 1110 E C 1.101 177.762 176.600 0.102 0.000 0.968 1110 E CA 1.998 58.567 56.400 0.281 0.000 0.939 1110 E CB 0.210 29.984 29.700 0.123 0.000 0.921 1110 E HN 0.695 nan 8.360 nan 0.000 0.477 1111 G N 2.975 111.687 108.800 -0.147 0.000 2.195 1111 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.246 1111 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.246 1111 G C 0.871 175.684 174.900 -0.145 0.000 0.984 1111 G CA 0.875 45.872 45.100 -0.171 0.000 0.633 1111 G HN 0.924 nan 8.290 nan 0.000 0.525 1112 T N -2.005 112.525 114.554 -0.040 0.000 3.023 1112 T HA 0.525 4.873 4.350 -0.004 0.000 0.253 1112 T C 0.682 175.433 174.700 0.085 0.000 1.038 1112 T CA 0.816 62.884 62.100 -0.053 0.000 0.962 1112 T CB 0.036 68.898 68.868 -0.010 0.000 1.018 1112 T HN 1.329 nan 8.240 nan 0.000 0.521 1113 Y N 0.005 120.455 120.300 0.250 0.000 2.509 1113 Y HA 0.775 5.323 4.550 -0.004 0.000 0.341 1113 Y C -0.561 175.523 175.900 0.306 0.000 1.038 1113 Y CA -2.233 56.121 58.100 0.424 0.000 1.089 1113 Y CB 1.022 39.814 38.460 0.554 0.000 1.241 1113 Y HN -0.104 nan 8.280 nan 0.000 0.468 1114 N N 3.197 122.218 118.700 0.535 0.000 2.800 1114 N HA 0.175 4.912 4.740 -0.004 0.000 0.240 1114 N C 0.578 176.331 175.510 0.406 0.000 1.096 1114 N CA -0.356 52.901 53.050 0.345 0.000 0.877 1114 N CB 0.625 39.271 38.487 0.265 0.000 1.138 1114 N HN 1.007 nan 8.380 nan 0.000 0.509 1115 R N 2.323 123.096 120.500 0.455 0.000 2.127 1115 R HA -0.110 4.228 4.340 -0.004 0.000 0.238 1115 R C 1.612 178.054 176.300 0.236 0.000 1.134 1115 R CA 1.736 58.037 56.100 0.335 0.000 0.975 1115 R CB 0.057 30.560 30.300 0.339 0.000 0.865 1115 R HN 0.539 nan 8.270 nan 0.000 0.447 1116 A N 0.197 123.140 122.820 0.205 0.000 1.892 1116 A HA -0.161 4.157 4.320 -0.004 0.000 0.218 1116 A C 2.216 179.893 177.584 0.154 0.000 1.188 1116 A CA 1.948 54.079 52.037 0.157 0.000 0.631 1116 A CB -0.625 18.449 19.000 0.123 0.000 0.822 1116 A HN 0.230 nan 8.150 nan 0.000 0.447 1117 V N -0.031 119.981 119.914 0.164 0.000 2.358 1117 V HA -0.220 3.898 4.120 -0.004 0.000 0.246 1117 V C 2.541 178.715 176.094 0.135 0.000 1.047 1117 V CA 1.793 64.181 62.300 0.147 0.000 1.035 1117 V CB -0.868 31.052 31.823 0.162 0.000 0.658 1117 V HN 0.549 nan 8.190 nan 0.000 0.452 1118 L N -0.160 121.141 121.223 0.130 0.000 2.083 1118 L HA -0.182 4.156 4.340 -0.004 0.000 0.209 1118 L C 2.415 179.424 176.870 0.231 0.000 1.083 1118 L CA 1.521 56.400 54.840 0.064 0.000 0.752 1118 L CB -0.773 41.308 42.059 0.038 0.000 0.899 1118 L HN 0.329 nan 8.230 nan 0.000 0.433 1119 D N -0.224 120.340 120.400 0.274 0.000 2.144 1119 D HA -0.203 4.435 4.640 -0.004 0.000 0.199 1119 D C 1.951 178.442 176.300 0.318 0.000 0.984 1119 D CA 1.002 55.234 54.000 0.387 0.000 0.834 1119 D CB -0.262 40.717 40.800 0.298 0.000 0.955 1119 D HN 0.328 nan 8.370 nan 0.000 0.465 1120 N N 0.161 118.984 118.700 0.205 0.000 2.062 1120 N HA -0.212 4.526 4.740 -0.004 0.000 0.191 1120 N C 2.035 177.633 175.510 0.147 0.000 1.042 1120 N CA 0.940 54.081 53.050 0.151 0.000 0.845 1120 N CB -0.471 38.089 38.487 0.122 0.000 1.024 1120 N HN 0.192 nan 8.380 nan 0.000 0.424 1121 Y N 0.724 121.016 120.300 -0.014 0.000 2.081 1121 Y HA -0.260 4.289 4.550 -0.003 0.000 0.280 1121 Y C 2.140 177.998 175.900 -0.071 0.000 1.163 1121 Y CA 2.045 60.080 58.100 -0.108 0.000 1.135 1121 Y CB -0.834 37.455 38.460 -0.285 0.000 0.970 1121 Y HN 0.170 nan 8.280 nan 0.000 0.498 1122 Y N -0.689 119.713 120.300 0.170 0.000 2.293 1122 Y HA -0.185 4.362 4.550 -0.004 0.000 0.291 1122 Y C 2.592 178.543 175.900 0.084 0.000 1.137 1122 Y CA 0.506 58.640 58.100 0.057 0.000 1.202 1122 Y CB -0.457 37.975 38.460 -0.047 0.000 0.990 1122 Y HN 0.279 nan 8.280 nan 0.000 0.537 1123 A N 0.638 123.659 122.820 0.335 0.000 1.873 1123 A HA -0.208 4.109 4.320 -0.004 0.000 0.215 1123 A C 2.046 179.686 177.584 0.093 0.000 1.186 1123 A CA 1.748 53.926 52.037 0.235 0.000 0.616 1123 A CB -0.467 18.621 19.000 0.147 0.000 0.823 1123 A HN 0.375 nan 8.150 nan 0.000 0.442 1124 K N -0.836 119.579 120.400 0.025 0.000 2.147 1124 K HA -0.172 4.145 4.320 -0.004 0.000 0.205 1124 K C 2.133 178.696 176.600 -0.062 0.000 1.049 1124 K CA 1.528 57.795 56.287 -0.033 0.000 0.936 1124 K CB -0.104 32.353 32.500 -0.072 0.000 0.722 1124 K HN 0.452 nan 8.250 nan 0.000 0.446 1125 Q N 1.029 120.774 119.800 -0.091 0.000 2.436 1125 Q HA 0.004 4.342 4.340 -0.004 0.000 0.209 1125 Q C -0.556 175.447 176.000 0.006 0.000 0.965 1125 Q CA 0.655 56.409 55.803 -0.080 0.000 0.910 1125 Q CB 0.108 28.787 28.738 -0.098 0.000 0.980 1125 Q HN 0.052 nan 8.270 nan 0.000 0.491 1126 K N 0.242 120.668 120.400 0.044 0.000 3.244 1126 K HA -0.202 4.116 4.320 -0.004 0.000 0.270 1126 K C -0.930 175.708 176.600 0.063 0.000 1.016 1126 K CA 0.478 56.797 56.287 0.054 0.000 0.754 1126 K CB -2.284 30.230 32.500 0.024 0.000 1.326 1126 K HN 0.327 nan 8.250 nan 0.000 0.465 1127 I N -2.554 118.076 120.570 0.099 0.000 2.499 1127 I HA 0.370 4.537 4.170 -0.004 0.000 0.296 1127 I C 0.330 176.487 176.117 0.067 0.000 0.992 1127 I CA -0.053 61.296 61.300 0.081 0.000 1.297 1127 I CB 1.794 39.873 38.000 0.132 0.000 1.410 1127 I HN -0.052 nan 8.210 nan 0.000 0.507 1128 T N 4.800 119.384 114.554 0.050 0.000 2.829 1128 T HA 0.632 4.980 4.350 -0.004 0.000 0.280 1128 T C -0.420 174.326 174.700 0.076 0.000 0.999 1128 T CA -0.518 61.612 62.100 0.051 0.000 0.983 1128 T CB 1.687 70.583 68.868 0.048 0.000 0.968 1128 T HN 0.456 nan 8.240 nan 0.000 0.446 1129 V N 2.470 122.427 119.914 0.073 0.000 2.435 1129 V HA 0.757 4.875 4.120 -0.004 0.000 0.290 1129 V C 0.756 176.990 176.094 0.234 0.000 1.030 1129 V CA -0.666 61.727 62.300 0.156 0.000 0.881 1129 V CB 1.694 33.557 31.823 0.067 0.000 0.983 1129 V HN 1.031 nan 8.190 nan 0.000 0.445 1130 G N 3.076 112.081 108.800 0.340 0.000 2.461 1130 G HA2 0.695 4.653 3.960 -0.004 0.000 0.329 1130 G HA3 0.695 4.653 3.960 -0.004 0.000 0.329 1130 G C -1.533 173.673 174.900 0.510 0.000 1.170 1130 G CA -0.515 44.853 45.100 0.447 0.000 0.935 1130 G HN 0.617 nan 8.290 nan 0.000 0.492 1131 L N 0.990 122.520 121.223 0.511 0.000 2.528 1131 L HA 0.549 4.887 4.340 -0.004 0.000 0.267 1131 L C 0.245 177.376 176.870 0.435 0.000 0.961 1131 L CA -0.458 54.629 54.840 0.411 0.000 0.866 1131 L CB 1.724 43.953 42.059 0.282 0.000 1.248 1131 L HN 0.772 nan 8.230 nan 0.000 0.404 1132 T N 1.692 116.417 114.554 0.286 0.000 2.907 1132 T HA 0.814 5.162 4.350 -0.004 0.000 0.284 1132 T C -0.535 174.220 174.700 0.092 0.000 1.004 1132 T CA -0.725 61.486 62.100 0.185 0.000 1.063 1132 T CB 1.833 70.752 68.868 0.085 0.000 0.992 1132 T HN 0.781 nan 8.240 nan 0.000 0.483 1133 V N 2.527 122.423 119.914 -0.030 0.000 2.924 1133 V HA 0.643 4.761 4.120 -0.004 0.000 0.300 1133 V C -2.102 173.875 176.094 -0.195 0.000 1.227 1133 V CA -1.076 61.162 62.300 -0.102 0.000 0.954 1133 V CB 1.760 33.409 31.823 -0.289 0.000 1.055 1133 V HN 0.909 nan 8.190 nan 0.000 0.429 1134 F N 4.450 124.312 119.950 -0.146 0.000 2.480 1134 F HA 0.906 5.431 4.527 -0.002 0.000 0.329 1134 F C 0.463 176.224 175.800 -0.065 0.000 1.091 1134 F CA -0.230 57.718 58.000 -0.088 0.000 0.972 1134 F CB 2.317 41.267 39.000 -0.083 0.000 1.150 1134 F HN 0.718 nan 8.300 nan 0.000 0.467 1135 A N 2.825 125.713 122.820 0.114 0.000 2.446 1135 A HA 0.746 5.064 4.320 -0.004 0.000 0.282 1135 A C -1.774 175.867 177.584 0.095 0.000 1.102 1135 A CA -0.567 51.543 52.037 0.121 0.000 0.737 1135 A CB 0.861 19.914 19.000 0.088 0.000 1.212 1135 A HN 0.518 nan 8.150 nan 0.000 0.434 1136 V N 2.586 122.548 119.914 0.079 0.000 2.588 1136 V HA 0.786 4.904 4.120 -0.004 0.000 0.304 1136 V C 1.041 177.152 176.094 0.029 0.000 1.042 1136 V CA 0.778 63.100 62.300 0.036 0.000 0.877 1136 V CB 1.028 32.855 31.823 0.006 0.000 0.996 1136 V HN 2.238 nan 8.190 nan 0.000 0.425 1137 G N 5.712 114.530 108.800 0.031 0.000 2.550 1137 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.277 1137 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.277 1137 G C 0.939 175.864 174.900 0.043 0.000 1.190 1137 G CA 0.808 45.926 45.100 0.029 0.000 0.971 1137 G HN 1.051 nan 8.290 nan 0.000 0.559 1138 R N -0.468 120.062 120.500 0.050 0.000 2.159 1138 R HA -0.025 4.313 4.340 -0.004 0.000 0.237 1138 R C 2.276 178.567 176.300 -0.016 0.000 1.131 1138 R CA 2.180 58.236 56.100 -0.075 0.000 0.982 1138 R CB -0.595 29.650 30.300 -0.091 0.000 0.868 1138 R HN 0.654 nan 8.270 nan 0.000 0.453 1139 Y N 1.396 121.693 120.300 -0.004 0.000 2.483 1139 Y HA -0.095 4.453 4.550 -0.004 0.000 0.291 1139 Y C 2.213 178.183 175.900 0.117 0.000 1.143 1139 Y CA 0.511 58.719 58.100 0.179 0.000 1.289 1139 Y CB -0.059 38.522 38.460 0.202 0.000 0.983 1139 Y HN 0.021 nan 8.280 nan 0.000 0.556 1140 I N -0.243 120.419 120.570 0.154 0.000 2.162 1140 I HA -0.234 3.934 4.170 -0.004 0.000 0.238 1140 I C 1.884 178.017 176.117 0.027 0.000 1.076 1140 I CA 1.290 62.640 61.300 0.083 0.000 1.353 1140 I CB -0.369 37.654 38.000 0.039 0.000 1.063 1140 I HN 0.091 nan 8.210 nan 0.000 0.408 1141 E N 0.148 120.318 120.200 -0.050 0.000 2.153 1141 E HA -0.195 4.153 4.350 -0.004 0.000 0.194 1141 E C 1.974 178.567 176.600 -0.013 0.000 0.988 1141 E CA 1.265 57.633 56.400 -0.053 0.000 0.811 1141 E CB -0.324 29.313 29.700 -0.106 0.000 0.746 1141 E HN 0.599 nan 8.360 nan 0.000 0.466 1142 H N -2.634 116.274 119.070 -0.271 0.000 2.525 1142 H HA 0.091 4.644 4.556 -0.004 0.000 0.275 1142 H C 0.634 175.488 175.328 -0.790 0.000 0.984 1142 H CA 0.725 56.392 56.048 -0.634 0.000 1.264 1142 H CB 0.463 29.597 29.762 -1.047 0.000 1.432 1142 H HN 0.224 nan 8.280 nan 0.000 0.549 1143 Y N -2.214 118.142 120.300 0.094 0.000 2.460 1143 Y HA 0.009 4.556 4.550 -0.004 0.000 0.276 1143 Y C 1.680 177.643 175.900 0.105 0.000 1.119 1143 Y CA -0.332 57.810 58.100 0.070 0.000 1.181 1143 Y CB 0.132 38.590 38.460 -0.003 0.000 1.304 1143 Y HN -0.038 nan 8.280 nan 0.000 0.536 1144 L N 1.457 122.812 121.223 0.220 0.000 2.012 1144 L HA -0.188 4.150 4.340 -0.004 0.000 0.210 1144 L C 2.438 179.414 176.870 0.177 0.000 1.073 1144 L CA 2.133 57.076 54.840 0.172 0.000 0.748 1144 L CB -0.521 41.599 42.059 0.102 0.000 0.891 1144 L HN 0.274 nan 8.230 nan 0.000 0.431 1145 E N -0.219 120.057 120.200 0.126 0.000 2.077 1145 E HA -0.281 4.067 4.350 -0.004 0.000 0.193 1145 E C 2.085 178.752 176.600 0.112 0.000 0.989 1145 E CA 1.660 58.120 56.400 0.100 0.000 0.800 1145 E CB -0.060 29.680 29.700 0.068 0.000 0.746 1145 E HN 0.702 nan 8.360 nan 0.000 0.452 1146 E N -0.928 119.359 120.200 0.145 0.000 2.152 1146 E HA -0.126 4.222 4.350 -0.004 0.000 0.192 1146 E C 1.946 178.659 176.600 0.187 0.000 0.983 1146 E CA 0.551 57.042 56.400 0.153 0.000 0.818 1146 E CB -0.190 29.612 29.700 0.169 0.000 0.758 1146 E HN 0.213 nan 8.360 nan 0.000 0.467 1147 F N 1.025 121.027 119.950 0.086 0.000 2.075 1147 F HA -0.167 4.357 4.527 -0.004 0.000 0.297 1147 F C 1.801 177.608 175.800 0.011 0.000 1.113 1147 F CA 1.393 59.440 58.000 0.077 0.000 1.218 1147 F CB -0.184 38.837 39.000 0.036 0.000 0.984 1147 F HN -0.050 nan 8.300 nan 0.000 0.472 1148 L N -0.538 120.671 121.223 -0.022 0.000 2.093 1148 L HA -0.205 4.133 4.340 -0.004 0.000 0.208 1148 L C 2.313 179.023 176.870 -0.266 0.000 1.085 1148 L CA 1.666 56.324 54.840 -0.303 0.000 0.755 1148 L CB -1.185 40.805 42.059 -0.116 0.000 0.904 1148 L HN 0.168 nan 8.230 nan 0.000 0.435 1149 T N -0.734 113.761 114.554 -0.098 0.000 2.746 1149 T HA -0.159 4.189 4.350 -0.004 0.000 0.267 1149 T C 2.093 176.735 174.700 -0.097 0.000 1.039 1149 T CA 1.708 63.769 62.100 -0.065 0.000 1.142 1149 T CB -0.201 68.666 68.868 -0.001 0.000 0.866 1149 T HN 0.531 nan 8.240 nan 0.000 0.444 1150 S N 1.314 116.980 115.700 -0.057 0.000 2.461 1150 S HA 0.224 4.692 4.470 -0.004 0.000 0.228 1150 S C 2.269 176.758 174.600 -0.185 0.000 1.005 1150 S CA 0.608 58.821 58.200 0.021 0.000 0.942 1150 S CB -0.300 63.049 63.200 0.248 0.000 0.776 1150 S HN 0.468 nan 8.310 nan 0.000 0.514 1151 A N 2.630 125.172 122.820 -0.463 0.000 1.903 1151 A HA 0.070 4.388 4.320 -0.004 0.000 0.213 1151 A C 2.060 179.457 177.584 -0.311 0.000 1.185 1151 A CA 1.272 52.767 52.037 -0.904 0.000 0.628 1151 A CB -1.161 17.186 19.000 -1.087 0.000 0.830 1151 A HN 0.606 nan 8.150 nan 0.000 0.446 1152 N N -0.011 118.589 118.700 -0.166 0.000 2.205 1152 N HA -0.202 4.536 4.740 -0.004 0.000 0.186 1152 N C 1.594 177.064 175.510 -0.067 0.000 1.015 1152 N CA 1.982 55.072 53.050 0.066 0.000 0.862 1152 N CB -0.222 38.281 38.487 0.027 0.000 0.986 1152 N HN 0.562 nan 8.380 nan 0.000 0.429 1153 K N -1.774 118.503 120.400 -0.206 0.000 2.262 1153 K HA -0.015 4.303 4.320 -0.004 0.000 0.200 1153 K C 0.853 177.205 176.600 -0.414 0.000 1.049 1153 K CA 0.824 56.907 56.287 -0.339 0.000 0.979 1153 K CB 0.114 32.322 32.500 -0.486 0.000 0.773 1153 K HN 0.335 nan 8.250 nan 0.000 0.474 1154 H N -1.739 117.261 119.070 -0.117 0.000 3.255 1154 H HA 0.081 4.635 4.556 -0.003 0.000 0.256 1154 H C -0.650 174.634 175.328 -0.074 0.000 1.049 1154 H CA -0.335 55.672 56.048 -0.068 0.000 1.202 1154 H CB 0.233 30.005 29.762 0.016 0.000 1.497 1154 H HN 0.029 nan 8.280 nan 0.000 0.503 1155 F N 3.558 123.309 119.950 -0.331 0.000 2.444 1155 F HA 0.183 4.707 4.527 -0.005 0.000 0.360 1155 F C 0.768 176.537 175.800 -0.052 0.000 1.106 1155 F CA -0.682 57.152 58.000 -0.276 0.000 1.170 1155 F CB 0.369 39.076 39.000 -0.487 0.000 1.113 1155 F HN -0.013 nan 8.300 nan 0.000 0.521 1156 M N 5.140 124.450 119.600 -0.483 0.000 2.253 1156 M HA -0.193 4.285 4.480 -0.004 0.000 0.199 1156 M C -0.436 175.827 176.300 -0.062 0.000 0.342 1156 M CA 0.349 55.435 55.300 -0.356 0.000 0.417 1156 M CB -2.875 29.342 32.600 -0.637 0.000 1.338 1156 M HN 0.166 nan 8.290 nan 0.000 0.920 1157 V N 0.478 120.388 119.914 -0.007 0.000 2.617 1157 V HA 0.312 4.430 4.120 -0.004 0.000 0.304 1157 V C 1.710 177.786 176.094 -0.030 0.000 1.040 1157 V CA 1.623 63.921 62.300 -0.004 0.000 1.149 1157 V CB 0.669 32.505 31.823 0.022 0.000 0.914 1157 V HN 1.022 nan 8.190 nan 0.000 0.487 1158 G N 3.530 112.256 108.800 -0.124 0.000 2.141 1158 G HA2 -0.165 3.792 3.960 -0.004 0.000 0.231 1158 G HA3 -0.165 3.792 3.960 -0.004 0.000 0.231 1158 G C -0.049 174.485 174.900 -0.609 0.000 0.984 1158 G CA -0.005 44.911 45.100 -0.306 0.000 0.660 1158 G HN 0.826 nan 8.290 nan 0.000 0.525 1159 H N -0.700 118.329 119.070 -0.070 0.000 2.930 1159 H HA 0.361 4.915 4.556 -0.004 0.000 0.371 1159 H C -2.802 172.468 175.328 -0.096 0.000 1.169 1159 H CA -1.748 54.257 56.048 -0.072 0.000 1.157 1159 H CB 2.046 31.754 29.762 -0.089 0.000 1.789 1159 H HN 0.002 nan 8.280 nan 0.000 0.547 1160 P HA 0.033 nan 4.420 nan 0.000 0.264 1160 P C -0.620 176.643 177.300 -0.063 0.000 1.193 1160 P CA 0.122 63.203 63.100 -0.033 0.000 0.763 1160 P CB 0.652 32.346 31.700 -0.009 0.000 0.810 1161 V N 5.400 125.219 119.914 -0.159 0.000 2.760 1161 V HA 0.423 4.541 4.120 -0.004 0.000 0.309 1161 V C -0.150 175.699 176.094 -0.407 0.000 1.077 1161 V CA -0.468 61.688 62.300 -0.239 0.000 0.910 1161 V CB 2.187 33.825 31.823 -0.308 0.000 1.008 1161 V HN 0.345 nan 8.190 nan 0.000 0.424 1162 I N 4.460 124.819 120.570 -0.352 0.000 2.411 1162 I HA 0.444 4.612 4.170 -0.004 0.000 0.284 1162 I C -0.847 174.940 176.117 -0.550 0.000 1.012 1162 I CA -0.205 60.817 61.300 -0.463 0.000 1.119 1162 I CB 1.355 39.127 38.000 -0.379 0.000 1.261 1162 I HN 0.433 nan 8.210 nan 0.000 0.448 1163 F N 5.442 125.271 119.950 -0.202 0.000 2.438 1163 F HA 0.287 4.812 4.527 -0.003 0.000 0.356 1163 F C -0.217 175.468 175.800 -0.191 0.000 1.099 1163 F CA -0.497 57.453 58.000 -0.084 0.000 1.185 1163 F CB 0.525 39.600 39.000 0.125 0.000 1.115 1163 F HN 0.336 nan 8.300 nan 0.000 0.526 1164 Y N 4.519 125.010 120.300 0.318 0.000 2.491 1164 Y HA 0.433 4.981 4.550 -0.004 0.000 0.334 1164 Y C 0.001 175.927 175.900 0.043 0.000 0.969 1164 Y CA -0.720 57.494 58.100 0.189 0.000 1.241 1164 Y CB 0.481 39.026 38.460 0.142 0.000 1.105 1164 Y HN 0.344 nan 8.280 nan 0.000 0.503 1165 I N 4.734 125.374 120.570 0.117 0.000 2.315 1165 I HA 0.304 4.471 4.170 -0.004 0.000 0.291 1165 I C -0.535 175.516 176.117 -0.111 0.000 1.006 1165 I CA -0.567 60.707 61.300 -0.043 0.000 1.265 1165 I CB 0.923 38.875 38.000 -0.080 0.000 1.387 1165 I HN 0.447 nan 8.210 nan 0.000 0.475 1166 M N 7.950 127.360 119.600 -0.318 0.000 2.114 1166 M HA 0.455 4.932 4.480 -0.004 0.000 0.332 1166 M C -0.522 175.675 176.300 -0.173 0.000 1.014 1166 M CA -0.552 54.534 55.300 -0.356 0.000 0.956 1166 M CB 1.564 33.577 32.600 -0.979 0.000 1.551 1166 M HN 0.427 nan 8.290 nan 0.000 0.427 1167 V N 0.083 119.964 119.914 -0.056 0.000 3.078 1167 V HA 0.673 4.791 4.120 -0.004 0.000 0.311 1167 V C 0.165 176.270 176.094 0.020 0.000 1.138 1167 V CA -0.797 61.500 62.300 -0.005 0.000 1.007 1167 V CB 2.112 33.924 31.823 -0.018 0.000 1.045 1167 V HN 0.850 nan 8.190 nan 0.000 0.432 1168 D N -0.123 120.294 120.400 0.029 0.000 2.323 1168 D HA 0.008 4.646 4.640 -0.004 0.000 0.209 1168 D C 0.058 176.366 176.300 0.015 0.000 0.973 1168 D CA 0.624 54.641 54.000 0.028 0.000 0.874 1168 D CB 0.509 41.325 40.800 0.028 0.000 0.930 1168 D HN 0.657 nan 8.370 nan 0.000 0.521 1169 D N 0.404 120.807 120.400 0.006 0.000 2.476 1169 D HA 0.136 4.774 4.640 -0.004 0.000 0.251 1169 D C 1.042 177.333 176.300 -0.016 0.000 1.291 1169 D CA -0.568 53.430 54.000 -0.003 0.000 0.939 1169 D CB 2.287 43.085 40.800 -0.003 0.000 1.221 1169 D HN -0.255 nan 8.370 nan 0.000 0.567 1170 V N 2.801 122.702 119.914 -0.023 0.000 2.548 1170 V HA -0.180 3.938 4.120 -0.004 0.000 0.249 1170 V C 2.464 178.533 176.094 -0.042 0.000 1.055 1170 V CA 1.988 64.261 62.300 -0.043 0.000 1.065 1170 V CB -0.546 31.246 31.823 -0.052 0.000 0.681 1170 V HN 0.676 nan 8.190 nan 0.000 0.462 1171 S N 0.525 116.207 115.700 -0.029 0.000 2.469 1171 S HA -0.195 4.273 4.470 -0.004 0.000 0.238 1171 S C 1.909 176.495 174.600 -0.023 0.000 0.998 1171 S CA 1.287 59.472 58.200 -0.025 0.000 0.957 1171 S CB -0.388 62.801 63.200 -0.018 0.000 0.764 1171 S HN 0.612 nan 8.310 nan 0.000 0.514 1172 R N -0.253 120.234 120.500 -0.022 0.000 2.290 1172 R HA 0.378 4.716 4.340 -0.004 0.000 0.197 1172 R C 0.483 176.772 176.300 -0.019 0.000 0.913 1172 R CA 0.004 56.094 56.100 -0.017 0.000 1.040 1172 R CB -0.092 30.200 30.300 -0.014 0.000 0.992 1172 R HN 0.474 nan 8.270 nan 0.000 0.500 1173 M N 3.486 123.066 119.600 -0.033 0.000 2.474 1173 M HA 0.057 4.535 4.480 -0.004 0.000 0.352 1173 M C -2.239 174.041 176.300 -0.033 0.000 1.690 1173 M CA -1.702 53.569 55.300 -0.048 0.000 1.112 1173 M CB 0.393 32.937 32.600 -0.094 0.000 2.062 1173 M HN -0.197 nan 8.290 nan 0.000 0.461 1174 P HA 0.141 nan 4.420 nan 0.000 0.281 1174 P C -1.199 176.124 177.300 0.038 0.000 1.286 1174 P CA -0.012 63.097 63.100 0.016 0.000 0.772 1174 P CB 0.354 32.072 31.700 0.031 0.000 0.862 1175 L N 5.711 126.962 121.223 0.047 0.000 2.312 1175 L HA 0.292 4.630 4.340 -0.004 0.000 0.287 1175 L C 1.131 178.076 176.870 0.126 0.000 1.091 1175 L CA -0.681 54.225 54.840 0.110 0.000 0.846 1175 L CB -0.130 41.983 42.059 0.091 0.000 1.219 1175 L HN 0.376 nan 8.230 nan 0.000 0.439 1176 I N -0.373 120.297 120.570 0.166 0.000 2.797 1176 I HA 0.392 4.560 4.170 -0.004 0.000 0.310 1176 I C 0.165 176.331 176.117 0.082 0.000 0.990 1176 I CA -0.679 60.682 61.300 0.102 0.000 1.228 1176 I CB 1.277 39.326 38.000 0.082 0.000 1.406 1176 I HN 0.515 nan 8.210 nan 0.000 0.534 1177 E N 4.685 124.902 120.200 0.029 0.000 2.180 1177 E HA 0.352 4.700 4.350 -0.004 0.000 0.283 1177 E C -1.171 175.403 176.600 -0.043 0.000 1.061 1177 E CA -0.568 55.828 56.400 -0.007 0.000 0.861 1177 E CB 0.842 30.537 29.700 -0.008 0.000 1.056 1177 E HN 0.593 nan 8.360 nan 0.000 0.407 1178 L N 3.605 124.766 121.223 -0.103 0.000 2.399 1178 L HA 0.476 4.813 4.340 -0.004 0.000 0.266 1178 L C 0.963 177.774 176.870 -0.098 0.000 1.114 1178 L CA -0.481 54.285 54.840 -0.124 0.000 0.804 1178 L CB 1.259 43.159 42.059 -0.265 0.000 1.146 1178 L HN 0.674 nan 8.230 nan 0.000 0.451 1179 G N 0.868 109.620 108.800 -0.080 0.000 2.642 1179 G HA2 0.531 4.489 3.960 -0.004 0.000 0.291 1179 G HA3 0.531 4.489 3.960 -0.004 0.000 0.291 1179 G C -2.686 172.162 174.900 -0.086 0.000 1.345 1179 G CA -1.348 43.709 45.100 -0.073 0.000 1.043 1179 G HN 0.351 nan 8.290 nan 0.000 0.528 1180 P HA 0.154 nan 4.420 nan 0.000 0.261 1180 P C 0.504 177.749 177.300 -0.093 0.000 1.173 1180 P CA 0.421 63.474 63.100 -0.078 0.000 0.760 1180 P CB 0.333 31.994 31.700 -0.065 0.000 0.783 1181 L N -1.153 120.010 121.223 -0.100 0.000 4.759 1181 L HA -0.274 4.064 4.340 -0.004 0.000 0.419 1181 L C 0.284 177.057 176.870 -0.162 0.000 1.093 1181 L CA 0.767 55.540 54.840 -0.112 0.000 1.037 1181 L CB -1.097 40.904 42.059 -0.098 0.000 2.095 1181 L HN 0.486 nan 8.230 nan 0.000 0.739 1182 R N 0.081 120.466 120.500 -0.193 0.000 2.778 1182 R HA 0.853 5.191 4.340 -0.004 0.000 0.277 1182 R C -0.014 176.093 176.300 -0.321 0.000 0.977 1182 R CA 0.242 56.157 56.100 -0.308 0.000 0.950 1182 R CB 2.105 32.264 30.300 -0.234 0.000 1.165 1182 R HN 0.233 nan 8.270 nan 0.000 0.474 1183 S N 0.818 116.274 115.700 -0.406 0.000 2.636 1183 S HA 0.826 5.294 4.470 -0.004 0.000 0.268 1183 S C -1.464 172.983 174.600 -0.255 0.000 1.159 1183 S CA -0.862 57.123 58.200 -0.359 0.000 0.815 1183 S CB 1.212 64.298 63.200 -0.190 0.000 1.130 1183 S HN 0.541 nan 8.310 nan 0.000 0.471 1184 F N -1.754 118.140 119.950 -0.094 0.000 3.122 1184 F HA 0.865 5.389 4.527 -0.006 0.000 0.325 1184 F C -2.113 173.622 175.800 -0.109 0.000 1.162 1184 F CA -1.203 56.739 58.000 -0.097 0.000 0.876 1184 F CB 0.367 39.401 39.000 0.058 0.000 1.429 1184 F HN 1.093 nan 8.300 nan 0.000 0.484 1185 K N 0.798 121.227 120.400 0.050 0.000 2.569 1185 K HA 0.699 5.016 4.320 -0.004 0.000 0.259 1185 K C -2.292 174.083 176.600 -0.375 0.000 0.932 1185 K CA -0.897 55.251 56.287 -0.231 0.000 0.833 1185 K CB 2.377 34.738 32.500 -0.231 0.000 1.340 1185 K HN 0.578 nan 8.250 nan 0.000 0.429 1186 V N 2.205 121.820 119.914 -0.498 0.000 2.617 1186 V HA 0.565 4.683 4.120 -0.004 0.000 0.298 1186 V C -0.773 175.011 176.094 -0.518 0.000 1.048 1186 V CA -0.553 61.509 62.300 -0.397 0.000 0.964 1186 V CB 0.565 32.192 31.823 -0.326 0.000 1.004 1186 V HN 0.657 nan 8.190 nan 0.000 0.466 1187 F N 1.786 121.683 119.950 -0.088 0.000 2.547 1187 F HA 0.469 4.995 4.527 -0.002 0.000 0.316 1187 F C 0.114 175.887 175.800 -0.045 0.000 1.121 1187 F CA -0.731 57.250 58.000 -0.031 0.000 0.911 1187 F CB 1.938 40.948 39.000 0.017 0.000 1.179 1187 F HN 0.343 nan 8.300 nan 0.000 0.443 1188 K N 5.852 126.350 120.400 0.163 0.000 2.285 1188 K HA 0.556 4.874 4.320 -0.004 0.000 0.286 1188 K C -0.751 175.916 176.600 0.112 0.000 1.072 1188 K CA -0.267 56.074 56.287 0.090 0.000 0.913 1188 K CB 0.430 32.962 32.500 0.053 0.000 1.067 1188 K HN 0.741 nan 8.250 nan 0.000 0.479 1189 I N 0.405 121.027 120.570 0.086 0.000 2.750 1189 I HA 0.421 4.589 4.170 -0.004 0.000 0.308 1189 I C -0.456 175.700 176.117 0.065 0.000 1.016 1189 I CA -1.231 60.122 61.300 0.089 0.000 1.098 1189 I CB 1.643 39.712 38.000 0.116 0.000 1.279 1189 I HN 0.471 nan 8.210 nan 0.000 0.454 1190 K N 4.732 125.165 120.400 0.055 0.000 2.368 1190 K HA 0.337 4.655 4.320 -0.004 0.000 0.282 1190 K C -2.398 174.223 176.600 0.035 0.000 1.035 1190 K CA -1.202 55.106 56.287 0.037 0.000 0.973 1190 K CB 0.583 33.098 32.500 0.026 0.000 0.957 1190 K HN 0.508 nan 8.250 nan 0.000 0.474 1191 P HA 0.180 nan 4.420 nan 0.000 0.290 1191 P C -0.979 176.326 177.300 0.008 0.000 1.276 1191 P CA -0.365 62.747 63.100 0.019 0.000 0.808 1191 P CB 1.217 32.927 31.700 0.017 0.000 0.966 1192 E N 2.413 122.611 120.200 -0.003 0.000 2.319 1192 E HA 0.149 4.497 4.350 -0.004 0.000 0.268 1192 E C 0.523 177.116 176.600 -0.011 0.000 1.050 1192 E CA -0.565 55.827 56.400 -0.014 0.000 0.878 1192 E CB 1.040 30.720 29.700 -0.033 0.000 1.066 1192 E HN 0.257 nan 8.360 nan 0.000 0.406 1193 K N 0.619 121.011 120.400 -0.014 0.000 2.459 1193 K HA 0.084 4.402 4.320 -0.004 0.000 0.193 1193 K C 0.227 176.824 176.600 -0.005 0.000 1.030 1193 K CA 0.458 56.742 56.287 -0.005 0.000 1.026 1193 K CB 0.282 32.779 32.500 -0.005 0.000 0.809 1193 K HN 0.196 nan 8.250 nan 0.000 0.504 1194 R N 0.181 120.657 120.500 -0.040 0.000 2.480 1194 R HA 0.128 4.466 4.340 -0.004 0.000 0.306 1194 R C 0.608 176.842 176.300 -0.111 0.000 0.958 1194 R CA -0.547 55.501 56.100 -0.087 0.000 0.861 1194 R CB 0.799 30.995 30.300 -0.174 0.000 1.171 1194 R HN 0.196 nan 8.270 nan 0.000 0.445 1195 W N 3.516 124.745 121.300 -0.118 0.000 2.350 1195 W HA -0.228 4.430 4.660 -0.004 0.000 0.289 1195 W C 0.407 176.798 176.519 -0.213 0.000 1.215 1195 W CA 0.989 58.228 57.345 -0.177 0.000 1.236 1195 W CB -0.401 28.954 29.460 -0.176 0.000 1.130 1195 W HN 0.575 nan 8.180 nan 0.000 0.541 1196 Q N 1.114 120.259 119.800 -1.092 0.000 2.135 1196 Q HA -0.176 4.162 4.340 -0.004 0.000 0.204 1196 Q C 1.820 177.523 176.000 -0.495 0.000 0.981 1196 Q CA 2.444 57.557 55.803 -1.151 0.000 0.856 1196 Q CB -0.561 27.477 28.738 -1.167 0.000 0.902 1196 Q HN 0.206 nan 8.270 nan 0.000 0.425 1197 D N -0.189 120.019 120.400 -0.321 0.000 2.183 1197 D HA -0.061 4.577 4.640 -0.004 0.000 0.203 1197 D C 1.771 177.993 176.300 -0.131 0.000 0.969 1197 D CA 0.720 54.620 54.000 -0.165 0.000 0.842 1197 D CB 0.009 40.742 40.800 -0.111 0.000 0.957 1197 D HN 0.273 nan 8.370 nan 0.000 0.484 1198 I N 0.435 120.926 120.570 -0.131 0.000 2.179 1198 I HA -0.262 3.906 4.170 -0.004 0.000 0.242 1198 I C 2.555 178.565 176.117 -0.178 0.000 1.088 1198 I CA 0.832 62.062 61.300 -0.117 0.000 1.357 1198 I CB -0.233 37.714 38.000 -0.089 0.000 1.051 1198 I HN -0.056 nan 8.210 nan 0.000 0.409 1199 S N 0.833 116.439 115.700 -0.157 0.000 2.348 1199 S HA -0.197 4.271 4.470 -0.004 0.000 0.221 1199 S C 2.141 176.642 174.600 -0.164 0.000 1.033 1199 S CA 1.526 59.636 58.200 -0.151 0.000 1.010 1199 S CB -0.170 62.988 63.200 -0.070 0.000 0.891 1199 S HN 0.277 nan 8.310 nan 0.000 0.442 1200 M N 0.343 119.874 119.600 -0.116 0.000 2.229 1200 M HA -0.017 4.460 4.480 -0.004 0.000 0.264 1200 M C 2.058 178.344 176.300 -0.024 0.000 1.063 1200 M CA 0.983 56.262 55.300 -0.034 0.000 1.114 1200 M CB -0.328 32.279 32.600 0.012 0.000 1.387 1200 M HN 0.340 nan 8.290 nan 0.000 0.420 1201 M N -0.196 119.348 119.600 -0.093 0.000 2.374 1201 M HA -0.104 4.374 4.480 -0.004 0.000 0.264 1201 M C 1.896 177.990 176.300 -0.344 0.000 1.067 1201 M CA 1.450 56.647 55.300 -0.172 0.000 1.103 1201 M CB -0.995 31.531 32.600 -0.124 0.000 1.402 1201 M HN 0.263 nan 8.290 nan 0.000 0.444 1202 R N -0.559 119.653 120.500 -0.480 0.000 2.127 1202 R HA -0.138 4.200 4.340 -0.004 0.000 0.238 1202 R C 2.120 178.203 176.300 -0.361 0.000 1.134 1202 R CA 1.116 56.730 56.100 -0.811 0.000 0.975 1202 R CB -0.255 29.382 30.300 -1.105 0.000 0.865 1202 R HN 0.301 nan 8.270 nan 0.000 0.447 1203 M N 0.802 120.250 119.600 -0.254 0.000 2.108 1203 M HA -0.183 4.295 4.480 -0.004 0.000 0.261 1203 M C 2.185 178.306 176.300 -0.299 0.000 1.066 1203 M CA 1.632 56.832 55.300 -0.167 0.000 1.107 1203 M CB -0.758 31.806 32.600 -0.059 0.000 1.356 1203 M HN 0.084 nan 8.290 nan 0.000 0.406 1204 K N -0.289 119.724 120.400 -0.645 0.000 2.025 1204 K HA -0.112 4.206 4.320 -0.004 0.000 0.207 1204 K C 1.784 178.166 176.600 -0.362 0.000 1.049 1204 K CA 1.803 57.602 56.287 -0.814 0.000 0.933 1204 K CB 0.011 31.622 32.500 -1.481 0.000 0.714 1204 K HN 0.272 nan 8.250 nan 0.000 0.438 1205 T N 1.880 116.303 114.554 -0.218 0.000 2.746 1205 T HA -0.098 4.250 4.350 -0.004 0.000 0.267 1205 T C 1.952 176.709 174.700 0.094 0.000 1.039 1205 T CA 1.411 63.521 62.100 0.018 0.000 1.142 1205 T CB -0.182 68.813 68.868 0.211 0.000 0.866 1205 T HN 0.184 nan 8.240 nan 0.000 0.444 1206 I N 1.428 122.039 120.570 0.067 0.000 2.163 1206 I HA -0.144 4.024 4.170 -0.004 0.000 0.243 1206 I C 2.923 179.002 176.117 -0.064 0.000 1.085 1206 I CA 1.407 62.722 61.300 0.024 0.000 1.347 1206 I CB -0.834 37.195 38.000 0.048 0.000 1.044 1206 I HN 0.331 nan 8.210 nan 0.000 0.408 1207 G N 0.411 109.155 108.800 -0.094 0.000 2.459 1207 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.217 1207 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.217 1207 G C 1.474 176.283 174.900 -0.153 0.000 1.183 1207 G CA 0.776 45.802 45.100 -0.123 0.000 0.776 1207 G HN 0.426 nan 8.290 nan 0.000 0.552 1208 E N -0.216 119.889 120.200 -0.158 0.000 2.130 1208 E HA -0.176 4.172 4.350 -0.004 0.000 0.196 1208 E C 2.233 178.643 176.600 -0.316 0.000 0.998 1208 E CA 1.077 57.350 56.400 -0.212 0.000 0.806 1208 E CB -0.247 29.323 29.700 -0.217 0.000 0.738 1208 E HN 0.548 nan 8.360 nan 0.000 0.459 1209 H N -0.105 118.754 119.070 -0.351 0.000 2.462 1209 H HA 0.008 4.561 4.556 -0.004 0.000 0.292 1209 H C 2.214 177.099 175.328 -0.738 0.000 1.049 1209 H CA 0.807 56.500 56.048 -0.592 0.000 1.334 1209 H CB 0.180 29.578 29.762 -0.607 0.000 1.404 1209 H HN 0.193 nan 8.280 nan 0.000 0.544 1210 I N 0.165 120.514 120.570 -0.368 0.000 2.202 1210 I HA -0.214 3.954 4.170 -0.004 0.000 0.242 1210 I C 2.419 178.328 176.117 -0.348 0.000 1.091 1210 I CA 0.704 61.791 61.300 -0.356 0.000 1.368 1210 I CB -0.108 37.754 38.000 -0.230 0.000 1.058 1210 I HN -0.004 nan 8.210 nan 0.000 0.410 1211 V N 1.028 120.777 119.914 -0.275 0.000 2.358 1211 V HA -0.244 3.874 4.120 -0.004 0.000 0.246 1211 V C 2.681 178.648 176.094 -0.211 0.000 1.047 1211 V CA 1.903 64.069 62.300 -0.223 0.000 1.035 1211 V CB -1.021 30.711 31.823 -0.153 0.000 0.658 1211 V HN 0.469 nan 8.190 nan 0.000 0.452 1212 A N 0.374 123.054 122.820 -0.234 0.000 1.898 1212 A HA -0.177 4.141 4.320 -0.004 0.000 0.216 1212 A C 1.944 179.544 177.584 0.027 0.000 1.181 1212 A CA 2.528 54.496 52.037 -0.115 0.000 0.620 1212 A CB -0.359 18.548 19.000 -0.156 0.000 0.819 1212 A HN 0.944 nan 8.150 nan 0.000 0.442 1213 H N -5.102 113.931 119.070 -0.061 0.000 2.950 1213 H HA 0.292 4.846 4.556 -0.002 0.000 0.202 1213 H C 1.408 176.718 175.328 -0.031 0.000 0.893 1213 H CA 0.158 56.232 56.048 0.044 0.000 0.931 1213 H CB -0.509 29.335 29.762 0.136 0.000 1.158 1213 H HN 0.162 nan 8.280 nan 0.000 0.545 1214 I N 2.413 122.715 120.570 -0.447 0.000 2.248 1214 I HA -0.327 3.841 4.170 -0.004 0.000 0.248 1214 I C 2.602 178.624 176.117 -0.158 0.000 1.107 1214 I CA 2.326 63.478 61.300 -0.246 0.000 1.373 1214 I CB -0.419 37.288 38.000 -0.489 0.000 1.055 1214 I HN 0.540 nan 8.210 nan 0.000 0.418 1215 Q N 0.373 119.994 119.800 -0.299 0.000 2.170 1215 Q HA -0.227 4.110 4.340 -0.004 0.000 0.203 1215 Q C 1.593 177.469 176.000 -0.206 0.000 0.976 1215 Q CA 1.576 57.200 55.803 -0.297 0.000 0.858 1215 Q CB -0.444 28.040 28.738 -0.423 0.000 0.907 1215 Q HN 0.590 nan 8.270 nan 0.000 0.433 1216 H N 0.273 119.351 119.070 0.013 0.000 2.539 1216 H HA 0.167 4.721 4.556 -0.003 0.000 0.267 1216 H C 0.557 175.924 175.328 0.065 0.000 0.982 1216 H CA 0.932 57.002 56.048 0.036 0.000 1.146 1216 H CB 0.498 30.290 29.762 0.050 0.000 1.382 1216 H HN 0.622 nan 8.280 nan 0.000 0.577 1217 E N 0.336 120.644 120.200 0.180 0.000 2.453 1217 E HA 0.134 4.482 4.350 -0.004 0.000 0.211 1217 E C 0.394 177.078 176.600 0.141 0.000 0.897 1217 E CA 0.072 56.584 56.400 0.186 0.000 1.063 1217 E CB 1.446 31.319 29.700 0.289 0.000 1.080 1217 E HN 0.124 nan 8.360 nan 0.000 0.512 1218 V N -1.833 118.142 119.914 0.102 0.000 3.078 1218 V HA 0.355 4.473 4.120 -0.004 0.000 0.311 1218 V C -0.302 175.766 176.094 -0.042 0.000 1.138 1218 V CA -0.857 61.483 62.300 0.068 0.000 1.007 1218 V CB 2.346 34.257 31.823 0.146 0.000 1.045 1218 V HN -0.163 nan 8.190 nan 0.000 0.432 1219 D N 0.926 121.260 120.400 -0.109 0.000 2.216 1219 D HA 0.209 4.847 4.640 -0.004 0.000 0.208 1219 D C -0.214 175.680 176.300 -0.678 0.000 0.960 1219 D CA 1.633 55.403 54.000 -0.384 0.000 0.861 1219 D CB 0.453 41.020 40.800 -0.388 0.000 0.985 1219 D HN 0.531 nan 8.370 nan 0.000 0.493 1220 F N 0.222 120.156 119.950 -0.027 0.000 2.578 1220 F HA 0.418 4.943 4.527 -0.004 0.000 0.311 1220 F C -0.520 175.278 175.800 -0.003 0.000 1.094 1220 F CA -1.219 56.745 58.000 -0.060 0.000 0.923 1220 F CB 2.299 41.230 39.000 -0.115 0.000 1.230 1220 F HN -0.303 nan 8.300 nan 0.000 0.450 1221 L N 2.633 123.932 121.223 0.127 0.000 2.381 1221 L HA 0.728 5.065 4.340 -0.004 0.000 0.268 1221 L C -2.014 174.833 176.870 -0.038 0.000 0.997 1221 L CA -0.619 54.288 54.840 0.112 0.000 0.818 1221 L CB 1.679 43.759 42.059 0.035 0.000 1.310 1221 L HN 0.466 nan 8.230 nan 0.000 0.416 1222 F N 2.845 122.882 119.950 0.144 0.000 2.540 1222 F HA 0.570 5.094 4.527 -0.004 0.000 0.317 1222 F C -0.535 175.199 175.800 -0.111 0.000 1.104 1222 F CA -0.432 57.592 58.000 0.039 0.000 0.913 1222 F CB 1.880 40.979 39.000 0.165 0.000 1.170 1222 F HN 0.414 nan 8.300 nan 0.000 0.450 1223 C N 5.621 124.831 119.300 -0.149 0.000 2.301 1223 C HA 0.757 5.214 4.460 -0.004 0.000 0.323 1223 C C -0.111 174.725 174.990 -0.258 0.000 1.265 1223 C CA -0.942 57.868 59.018 -0.345 0.000 1.503 1223 C CB -0.380 26.815 27.740 -0.909 0.000 2.195 1223 C HN 0.713 nan 8.230 nan 0.000 0.477 1224 M N 1.430 120.972 119.600 -0.097 0.000 2.690 1224 M HA 0.434 4.912 4.480 -0.004 0.000 0.302 1224 M C -0.964 175.230 176.300 -0.176 0.000 1.234 1224 M CA -0.513 54.723 55.300 -0.107 0.000 0.853 1224 M CB 1.504 34.077 32.600 -0.045 0.000 1.748 1224 M HN 0.453 nan 8.290 nan 0.000 0.469 1225 D N 0.523 120.796 120.400 -0.211 0.000 2.344 1225 D HA 0.142 4.780 4.640 -0.004 0.000 0.244 1225 D C 0.422 176.476 176.300 -0.411 0.000 1.134 1225 D CA -0.130 53.729 54.000 -0.235 0.000 0.930 1225 D CB 1.706 42.363 40.800 -0.239 0.000 1.175 1225 D HN 0.323 nan 8.370 nan 0.000 0.437 1226 V N 1.131 120.835 119.914 -0.350 0.000 2.878 1226 V HA -0.072 4.046 4.120 -0.004 0.000 0.250 1226 V C 0.531 176.469 176.094 -0.260 0.000 1.075 1226 V CA 0.847 62.862 62.300 -0.476 0.000 1.096 1226 V CB -0.221 31.487 31.823 -0.192 0.000 0.724 1226 V HN 0.610 nan 8.190 nan 0.000 0.467 1227 D N 1.927 122.093 120.400 -0.390 0.000 2.977 1227 D HA 0.013 4.651 4.640 -0.004 0.000 0.241 1227 D C 0.231 176.349 176.300 -0.303 0.000 1.206 1227 D CA -0.085 53.461 54.000 -0.756 0.000 0.902 1227 D CB -0.294 39.764 40.800 -1.237 0.000 1.131 1227 D HN 0.787 nan 8.370 nan 0.000 0.447 1228 Q N -1.812 117.967 119.800 -0.036 0.000 2.511 1228 Q HA 0.639 4.977 4.340 -0.004 0.000 0.289 1228 Q C -1.722 174.395 176.000 0.196 0.000 1.021 1228 Q CA -1.284 54.564 55.803 0.075 0.000 0.785 1228 Q CB 2.410 31.143 28.738 -0.009 0.000 1.472 1228 Q HN -0.004 nan 8.270 nan 0.000 0.411 1229 V N 1.169 121.158 119.914 0.125 0.000 2.888 1229 V HA 0.584 4.702 4.120 -0.004 0.000 0.309 1229 V C -1.697 174.437 176.094 0.067 0.000 1.114 1229 V CA -0.691 61.692 62.300 0.139 0.000 0.940 1229 V CB 1.798 33.747 31.823 0.210 0.000 1.021 1229 V HN 0.735 nan 8.190 nan 0.000 0.426 1230 F N 4.976 124.968 119.950 0.069 0.000 2.456 1230 F HA 0.427 4.953 4.527 -0.003 0.000 0.358 1230 F C 1.425 177.305 175.800 0.133 0.000 1.095 1230 F CA 0.081 58.148 58.000 0.111 0.000 1.216 1230 F CB 1.343 40.426 39.000 0.139 0.000 1.125 1230 F HN 0.509 nan 8.300 nan 0.000 0.549 1231 Q N 0.874 120.785 119.800 0.186 0.000 2.392 1231 Q HA 0.138 4.476 4.340 -0.004 0.000 0.219 1231 Q C 0.043 175.908 176.000 -0.225 0.000 0.895 1231 Q CA 0.636 56.483 55.803 0.074 0.000 0.929 1231 Q CB 0.649 29.461 28.738 0.124 0.000 1.077 1231 Q HN 0.677 nan 8.270 nan 0.000 0.532 1232 D N -0.773 119.380 120.400 -0.412 0.000 2.838 1232 D HA 0.120 4.758 4.640 -0.004 0.000 0.334 1232 D C -0.906 175.202 176.300 -0.320 0.000 1.315 1232 D CA -0.524 53.129 54.000 -0.578 0.000 0.917 1232 D CB 1.247 41.944 40.800 -0.171 0.000 1.435 1232 D HN -0.332 nan 8.370 nan 0.000 0.517 1233 K N 0.978 121.351 120.400 -0.045 0.000 2.466 1233 K HA 0.054 4.372 4.320 -0.004 0.000 0.278 1233 K C -0.268 176.458 176.600 0.209 0.000 1.048 1233 K CA 0.375 56.758 56.287 0.159 0.000 1.088 1233 K CB -0.411 32.186 32.500 0.162 0.000 0.884 1233 K HN 0.302 nan 8.250 nan 0.000 0.478 1234 F N 2.634 122.693 119.950 0.181 0.000 2.371 1234 F HA 0.294 4.819 4.527 -0.004 0.000 0.343 1234 F C 0.732 176.565 175.800 0.056 0.000 1.150 1234 F CA -0.548 57.613 58.000 0.268 0.000 1.220 1234 F CB 0.552 39.880 39.000 0.545 0.000 1.475 1234 F HN 0.571 nan 8.300 nan 0.000 0.521 1235 G N 1.008 109.851 108.800 0.071 0.000 2.531 1235 G HA2 0.272 4.230 3.960 -0.004 0.000 0.281 1235 G HA3 0.272 4.230 3.960 -0.004 0.000 0.281 1235 G C 0.931 175.729 174.900 -0.170 0.000 1.382 1235 G CA -0.082 44.993 45.100 -0.041 0.000 1.045 1235 G HN 0.551 nan 8.290 nan 0.000 0.533 1236 V N -0.920 118.864 119.914 -0.215 0.000 3.186 1236 V HA -0.061 4.057 4.120 -0.004 0.000 0.270 1236 V C 2.009 177.895 176.094 -0.346 0.000 1.149 1236 V CA 2.177 64.252 62.300 -0.375 0.000 1.160 1236 V CB -0.682 30.882 31.823 -0.432 0.000 0.758 1236 V HN 0.732 nan 8.190 nan 0.000 0.516 1237 E N 2.332 122.343 120.200 -0.316 0.000 2.516 1237 E HA -0.139 4.208 4.350 -0.004 0.000 0.199 1237 E C 1.558 177.870 176.600 -0.481 0.000 1.069 1237 E CA 1.320 57.460 56.400 -0.433 0.000 0.876 1237 E CB -0.664 28.827 29.700 -0.348 0.000 0.843 1237 E HN 0.836 nan 8.360 nan 0.000 0.530 1238 T N -1.637 112.671 114.554 -0.410 0.000 3.054 1238 T HA 0.296 4.643 4.350 -0.004 0.000 0.255 1238 T C 1.002 175.609 174.700 -0.155 0.000 1.035 1238 T CA -0.461 61.451 62.100 -0.314 0.000 0.941 1238 T CB -0.113 68.575 68.868 -0.300 0.000 1.026 1238 T HN -0.002 nan 8.240 nan 0.000 0.533 1239 L N 1.654 122.651 121.223 -0.376 0.000 2.439 1239 L HA 0.653 4.991 4.340 -0.004 0.000 0.269 1239 L C 0.919 177.453 176.870 -0.560 0.000 1.179 1239 L CA 0.002 54.442 54.840 -0.666 0.000 0.828 1239 L CB 0.588 41.886 42.059 -1.267 0.000 1.106 1239 L HN 0.498 nan 8.230 nan 0.000 0.467 1240 G N 0.884 109.377 108.800 -0.512 0.000 2.356 1240 G HA2 0.118 4.076 3.960 -0.004 0.000 0.294 1240 G HA3 0.118 4.076 3.960 -0.004 0.000 0.294 1240 G C -0.096 174.872 174.900 0.114 0.000 1.423 1240 G CA -0.513 44.508 45.100 -0.131 0.000 0.806 1240 G HN 0.524 nan 8.290 nan 0.000 0.527 1241 E N -0.552 119.752 120.200 0.174 0.000 2.049 1241 E HA -0.094 4.254 4.350 -0.004 0.000 0.198 1241 E C 1.099 177.785 176.600 0.143 0.000 1.007 1241 E CA 1.965 58.477 56.400 0.186 0.000 0.809 1241 E CB -0.103 29.686 29.700 0.147 0.000 0.749 1241 E HN 0.636 nan 8.360 nan 0.000 0.450 1242 S N -0.223 115.547 115.700 0.116 0.000 2.736 1242 S HA 0.468 4.935 4.470 -0.004 0.000 0.285 1242 S C -0.591 174.044 174.600 0.059 0.000 1.163 1242 S CA -0.990 57.294 58.200 0.139 0.000 1.025 1242 S CB 1.813 65.156 63.200 0.237 0.000 1.030 1242 S HN -0.071 nan 8.310 nan 0.000 0.486 1243 V N 2.077 122.013 119.914 0.037 0.000 2.547 1243 V HA 0.933 5.051 4.120 -0.004 0.000 0.299 1243 V C 0.411 176.484 176.094 -0.034 0.000 1.040 1243 V CA -0.469 61.821 62.300 -0.017 0.000 0.913 1243 V CB 1.303 33.136 31.823 0.017 0.000 0.992 1243 V HN 1.230 nan 8.190 nan 0.000 0.449 1244 A N 3.240 125.921 122.820 -0.233 0.000 2.413 1244 A HA 0.855 5.173 4.320 -0.004 0.000 0.307 1244 A C -0.876 176.723 177.584 0.025 0.000 1.087 1244 A CA -0.708 51.117 52.037 -0.355 0.000 0.750 1244 A CB 1.940 20.155 19.000 -1.308 0.000 1.296 1244 A HN 0.765 nan 8.150 nan 0.000 0.423 1245 Q N 1.071 121.007 119.800 0.227 0.000 2.316 1245 Q HA 0.642 4.980 4.340 -0.004 0.000 0.264 1245 Q C -1.612 174.606 176.000 0.363 0.000 0.987 1245 Q CA -0.221 55.751 55.803 0.282 0.000 0.852 1245 Q CB 1.157 30.098 28.738 0.338 0.000 1.287 1245 Q HN 0.655 nan 8.270 nan 0.000 0.448 1246 L N 3.412 124.782 121.223 0.244 0.000 2.331 1246 L HA 0.260 4.597 4.340 -0.004 0.000 0.278 1246 L C 0.424 177.486 176.870 0.321 0.000 1.106 1246 L CA -0.460 54.515 54.840 0.224 0.000 0.824 1246 L CB 1.079 43.194 42.059 0.093 0.000 1.142 1246 L HN 0.584 nan 8.230 nan 0.000 0.443 1247 Q N 2.115 122.130 119.800 0.358 0.000 2.281 1247 Q HA 0.060 4.397 4.340 -0.004 0.000 0.267 1247 Q C 0.827 177.105 176.000 0.462 0.000 1.053 1247 Q CA 0.204 56.260 55.803 0.422 0.000 0.905 1247 Q CB 1.641 30.698 28.738 0.530 0.000 1.195 1247 Q HN 0.828 nan 8.270 nan 0.000 0.398 1248 A N 4.158 127.210 122.820 0.387 0.000 2.042 1248 A HA -0.200 4.118 4.320 -0.004 0.000 0.222 1248 A C 1.244 178.856 177.584 0.047 0.000 1.167 1248 A CA 1.396 53.518 52.037 0.141 0.000 0.649 1248 A CB -0.473 18.225 19.000 -0.504 0.000 0.809 1248 A HN 0.869 nan 8.150 nan 0.000 0.457 1249 W N -2.580 118.697 121.300 -0.038 0.000 2.658 1249 W HA 0.154 4.811 4.660 -0.004 0.000 0.263 1249 W C 1.214 177.452 176.519 -0.469 0.000 1.274 1249 W CA 0.201 57.343 57.345 -0.338 0.000 1.343 1249 W CB -0.292 28.848 29.460 -0.535 0.000 1.106 1249 W HN 0.514 nan 8.180 nan 0.000 0.615 1250 W N -1.329 120.145 121.300 0.289 0.000 2.862 1250 W HA 0.174 4.832 4.660 -0.004 0.000 0.376 1250 W C 1.614 178.272 176.519 0.231 0.000 1.028 1250 W CA -0.696 56.764 57.345 0.192 0.000 1.757 1250 W CB -1.329 28.160 29.460 0.048 0.000 1.128 1250 W HN -0.005 nan 8.180 nan 0.000 0.566 1251 Y N 0.645 121.168 120.300 0.372 0.000 2.465 1251 Y HA -0.054 4.494 4.550 -0.003 0.000 0.289 1251 Y C 1.307 177.440 175.900 0.388 0.000 1.150 1251 Y CA 1.318 59.639 58.100 0.369 0.000 1.293 1251 Y CB -0.429 38.229 38.460 0.329 0.000 0.977 1251 Y HN -0.111 nan 8.280 nan 0.000 0.556 1252 K N 0.539 120.830 120.400 -0.183 0.000 2.438 1252 K HA 0.493 4.811 4.320 -0.004 0.000 0.205 1252 K C 0.182 176.820 176.600 0.063 0.000 1.033 1252 K CA 0.243 56.445 56.287 -0.141 0.000 1.089 1252 K CB 0.756 32.999 32.500 -0.428 0.000 0.857 1252 K HN 0.289 nan 8.250 nan 0.000 0.522 1253 A N 1.383 124.366 122.820 0.272 0.000 2.264 1253 A HA 0.201 4.519 4.320 -0.004 0.000 0.304 1253 A C -0.503 177.213 177.584 0.219 0.000 1.100 1253 A CA -0.450 51.786 52.037 0.332 0.000 0.839 1253 A CB 0.574 19.979 19.000 0.676 0.000 1.121 1253 A HN 0.126 nan 8.150 nan 0.000 0.496 1254 D N 0.595 121.006 120.400 0.018 0.000 2.348 1254 D HA 0.263 4.901 4.640 -0.004 0.000 0.253 1254 D C -1.719 174.167 176.300 -0.690 0.000 1.161 1254 D CA -1.787 52.093 54.000 -0.200 0.000 0.876 1254 D CB 1.172 41.904 40.800 -0.113 0.000 1.160 1254 D HN 0.053 nan 8.370 nan 0.000 0.459 1255 P HA -0.180 nan 4.420 nan 0.000 0.218 1255 P C 0.629 177.318 177.300 -1.019 0.000 1.152 1255 P CA 1.139 63.222 63.100 -1.695 0.000 0.857 1255 P CB 0.193 31.516 31.700 -0.629 0.000 0.787 1256 N N -1.073 117.369 118.700 -0.430 0.000 2.571 1256 N HA -0.073 4.664 4.740 -0.004 0.000 0.189 1256 N C 0.670 176.157 175.510 -0.038 0.000 1.154 1256 N CA 0.873 53.883 53.050 -0.066 0.000 0.907 1256 N CB -0.337 38.165 38.487 0.025 0.000 0.977 1256 N HN 0.282 nan 8.380 nan 0.000 0.449 1257 D N -0.606 119.657 120.400 -0.229 0.000 2.407 1257 D HA 0.091 4.729 4.640 -0.004 0.000 0.208 1257 D C 0.379 176.496 176.300 -0.305 0.000 1.083 1257 D CA -0.154 53.804 54.000 -0.069 0.000 0.844 1257 D CB 0.466 41.347 40.800 0.135 0.000 0.967 1257 D HN 0.164 nan 8.370 nan 0.000 0.506 1258 F N 1.788 121.343 119.950 -0.659 0.000 2.595 1258 F HA -0.031 4.494 4.527 -0.003 0.000 0.359 1258 F C 1.729 176.741 175.800 -1.312 0.000 1.147 1258 F CA -0.023 57.189 58.000 -1.314 0.000 1.341 1258 F CB 0.623 38.764 39.000 -1.433 0.000 1.104 1258 F HN -0.194 nan 8.300 nan 0.000 0.603 1259 T N 0.112 113.685 114.554 -1.636 0.000 3.419 1259 T HA 0.223 4.571 4.350 -0.004 0.000 0.228 1259 T C -0.335 173.847 174.700 -0.864 0.000 0.939 1259 T CA -0.347 60.925 62.100 -1.380 0.000 0.992 1259 T CB -1.157 66.391 68.868 -2.199 0.000 1.186 1259 T HN 0.336 nan 8.240 nan 0.000 0.612 1260 Y N 0.971 121.029 120.300 -0.403 0.000 2.357 1260 Y HA 0.274 4.822 4.550 -0.004 0.000 0.340 1260 Y C 1.111 176.970 175.900 -0.069 0.000 1.260 1260 Y CA -1.356 56.665 58.100 -0.132 0.000 1.425 1260 Y CB 0.587 38.965 38.460 -0.137 0.000 1.326 1260 Y HN 0.237 nan 8.280 nan 0.000 0.580 1261 E N 1.900 122.208 120.200 0.179 0.000 2.328 1261 E HA 0.012 4.360 4.350 -0.004 0.000 0.265 1261 E C 0.028 176.704 176.600 0.127 0.000 1.057 1261 E CA -0.039 56.450 56.400 0.149 0.000 0.916 1261 E CB 0.490 30.225 29.700 0.059 0.000 0.993 1261 E HN 0.386 nan 8.360 nan 0.000 0.446 1262 R N 3.731 124.311 120.500 0.134 0.000 2.334 1262 R HA 0.174 4.512 4.340 -0.004 0.000 0.216 1262 R C 0.008 176.457 176.300 0.248 0.000 0.905 1262 R CA 0.049 56.242 56.100 0.154 0.000 1.064 1262 R CB -0.038 30.256 30.300 -0.010 0.000 1.046 1262 R HN 0.384 nan 8.270 nan 0.000 0.508 1263 R N 1.883 122.463 120.500 0.134 0.000 2.234 1263 R HA 0.080 4.417 4.340 -0.004 0.000 0.324 1263 R C 1.220 177.352 176.300 -0.279 0.000 1.054 1263 R CA -0.048 56.017 56.100 -0.058 0.000 0.912 1263 R CB 0.790 31.071 30.300 -0.031 0.000 1.030 1263 R HN 0.114 nan 8.270 nan 0.000 0.455 1264 K N 1.496 121.485 120.400 -0.685 0.000 2.442 1264 K HA -0.121 4.197 4.320 -0.004 0.000 0.198 1264 K C 0.298 176.690 176.600 -0.347 0.000 1.042 1264 K CA 1.205 56.922 56.287 -0.950 0.000 0.958 1264 K CB 0.268 32.237 32.500 -0.884 0.000 0.766 1264 K HN 0.392 nan 8.250 nan 0.000 0.474 1265 E N 1.193 121.269 120.200 -0.207 0.000 2.427 1265 E HA 0.019 4.367 4.350 -0.004 0.000 0.196 1265 E C 0.229 176.794 176.600 -0.059 0.000 1.028 1265 E CA 0.244 56.579 56.400 -0.109 0.000 0.864 1265 E CB 0.430 30.080 29.700 -0.083 0.000 0.813 1265 E HN 0.267 nan 8.360 nan 0.000 0.514 1266 S N -0.719 114.956 115.700 -0.041 0.000 2.578 1266 S HA 0.527 4.995 4.470 -0.004 0.000 0.283 1266 S C 1.052 175.679 174.600 0.045 0.000 1.195 1266 S CA -0.126 58.077 58.200 0.005 0.000 1.050 1266 S CB 1.409 64.607 63.200 -0.005 0.000 1.012 1266 S HN 0.145 nan 8.310 nan 0.000 0.511 1267 A N 3.664 126.528 122.820 0.073 0.000 2.067 1267 A HA 0.227 4.545 4.320 -0.004 0.000 0.219 1267 A C 1.958 179.568 177.584 0.043 0.000 1.158 1267 A CA 1.404 53.499 52.037 0.096 0.000 0.661 1267 A CB -0.864 18.232 19.000 0.160 0.000 0.801 1267 A HN 1.160 nan 8.150 nan 0.000 0.452 1268 A N -1.653 121.090 122.820 -0.128 0.000 2.238 1268 A HA 0.260 4.578 4.320 -0.004 0.000 0.208 1268 A C 0.702 178.204 177.584 -0.136 0.000 1.177 1268 A CA -0.335 51.527 52.037 -0.292 0.000 0.804 1268 A CB -0.631 17.925 19.000 -0.740 0.000 0.823 1268 A HN 0.544 nan 8.150 nan 0.000 0.482 1269 Y N 0.928 121.138 120.300 -0.149 0.000 2.805 1269 Y HA 0.265 4.813 4.550 -0.004 0.000 0.331 1269 Y C -0.299 175.510 175.900 -0.151 0.000 1.241 1269 Y CA -0.040 57.985 58.100 -0.124 0.000 1.546 1269 Y CB -0.074 38.334 38.460 -0.087 0.000 1.248 1269 Y HN 0.213 nan 8.280 nan 0.000 0.559 1270 I N 9.658 129.692 120.570 -0.892 0.000 2.439 1270 I HA 0.294 4.462 4.170 -0.004 0.000 0.285 1270 I C -2.391 173.145 176.117 -0.968 0.000 1.021 1270 I CA -2.273 58.498 61.300 -0.881 0.000 1.091 1270 I CB 1.969 39.535 38.000 -0.723 0.000 1.242 1270 I HN 0.519 nan 8.210 nan 0.000 0.439 1271 P HA 0.096 nan 4.420 nan 0.000 0.269 1271 P C -0.644 176.550 177.300 -0.177 0.000 1.215 1271 P CA -0.017 62.848 63.100 -0.392 0.000 0.780 1271 P CB 0.413 32.028 31.700 -0.142 0.000 0.898 1272 F N 0.853 120.809 119.950 0.011 0.000 2.484 1272 F HA 0.345 4.870 4.527 -0.004 0.000 0.360 1272 F C 1.844 177.638 175.800 -0.010 0.000 1.101 1272 F CA 1.556 59.560 58.000 0.008 0.000 1.251 1272 F CB 0.024 39.033 39.000 0.016 0.000 1.132 1272 F HN 0.621 nan 8.300 nan 0.000 0.570 1273 G N 1.618 110.524 108.800 0.177 0.000 2.144 1273 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.218 1273 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.218 1273 G C -0.363 174.560 174.900 0.039 0.000 0.988 1273 G CA -0.409 44.740 45.100 0.081 0.000 0.659 1273 G HN 0.590 nan 8.290 nan 0.000 0.522 1274 E N -0.999 119.223 120.200 0.037 0.000 2.408 1274 E HA 0.633 4.981 4.350 -0.004 0.000 0.275 1274 E C 0.110 176.770 176.600 0.101 0.000 0.935 1274 E CA -0.371 56.038 56.400 0.015 0.000 0.775 1274 E CB 2.383 32.047 29.700 -0.061 0.000 1.277 1274 E HN 1.586 nan 8.360 nan 0.000 0.455 1275 G N 1.439 110.300 108.800 0.103 0.000 2.592 1275 G HA2 -0.095 3.862 3.960 -0.004 0.000 0.685 1275 G HA3 -0.095 3.862 3.960 -0.004 0.000 0.685 1275 G C -0.612 174.420 174.900 0.220 0.000 1.278 1275 G CA -0.528 44.736 45.100 0.274 0.000 0.822 1275 G HN 0.534 nan 8.290 nan 0.000 0.652 1276 D N -0.209 120.322 120.400 0.220 0.000 2.840 1276 D HA 0.299 4.937 4.640 -0.004 0.000 0.277 1276 D C 0.658 176.726 176.300 -0.386 0.000 1.066 1276 D CA 1.269 55.212 54.000 -0.096 0.000 0.979 1276 D CB 0.369 41.257 40.800 0.146 0.000 1.157 1276 D HN 0.322 nan 8.370 nan 0.000 0.466 1277 F N -1.054 119.041 119.950 0.241 0.000 2.664 1277 F HA 0.358 4.883 4.527 -0.003 0.000 0.317 1277 F C -0.945 174.476 175.800 -0.631 0.000 1.108 1277 F CA -1.342 56.585 58.000 -0.122 0.000 0.957 1277 F CB 1.381 40.226 39.000 -0.259 0.000 1.365 1277 F HN -0.285 nan 8.300 nan 0.000 0.475 1278 Y N 1.748 121.521 120.300 -0.879 0.000 2.369 1278 Y HA 0.482 5.030 4.550 -0.003 0.000 0.337 1278 Y C -1.211 174.485 175.900 -0.340 0.000 0.961 1278 Y CA -1.306 56.322 58.100 -0.787 0.000 1.186 1278 Y CB 0.153 37.912 38.460 -1.168 0.000 1.139 1278 Y HN 0.392 nan 8.280 nan 0.000 0.494 1279 Y N 4.245 124.387 120.300 -0.263 0.000 2.299 1279 Y HA 0.200 4.748 4.550 -0.003 0.000 0.326 1279 Y C 0.433 176.287 175.900 -0.077 0.000 1.164 1279 Y CA -0.396 57.680 58.100 -0.040 0.000 1.234 1279 Y CB 0.588 39.139 38.460 0.152 0.000 1.219 1279 Y HN 0.561 nan 8.280 nan 0.000 0.497 1280 H N 1.995 121.188 119.070 0.205 0.000 2.668 1280 H HA 0.332 4.886 4.556 -0.003 0.000 0.303 1280 H C 0.381 175.830 175.328 0.201 0.000 1.074 1280 H CA -0.302 55.852 56.048 0.178 0.000 1.406 1280 H CB 1.193 31.105 29.762 0.250 0.000 1.442 1280 H HN 0.999 nan 8.280 nan 0.000 0.482 1281 A N 4.185 127.140 122.820 0.225 0.000 2.248 1281 A HA -0.038 4.280 4.320 -0.004 0.000 0.210 1281 A C 2.162 179.789 177.584 0.071 0.000 1.174 1281 A CA 1.003 53.134 52.037 0.157 0.000 0.750 1281 A CB -0.392 18.686 19.000 0.130 0.000 0.780 1281 A HN 0.806 nan 8.150 nan 0.000 0.478 1282 A N -0.573 122.050 122.820 -0.328 0.000 2.066 1282 A HA 0.332 4.650 4.320 -0.004 0.000 0.218 1282 A C 0.778 178.270 177.584 -0.154 0.000 1.157 1282 A CA 0.744 52.522 52.037 -0.431 0.000 0.670 1282 A CB -0.175 18.196 19.000 -1.048 0.000 0.804 1282 A HN 0.457 nan 8.150 nan 0.000 0.453 1283 I N -0.719 119.871 120.570 0.033 0.000 2.607 1283 I HA 0.530 4.698 4.170 -0.004 0.000 0.290 1283 I C -1.168 175.204 176.117 0.425 0.000 1.129 1283 I CA -0.752 60.657 61.300 0.182 0.000 1.042 1283 I CB 2.274 40.398 38.000 0.206 0.000 1.242 1283 I HN 0.302 nan 8.210 nan 0.000 0.421 1284 F N 3.854 123.994 119.950 0.317 0.000 2.725 1284 F HA 0.918 5.444 4.527 -0.003 0.000 0.309 1284 F C -0.492 175.429 175.800 0.202 0.000 1.132 1284 F CA -0.475 57.698 58.000 0.289 0.000 0.957 1284 F CB 1.215 40.361 39.000 0.244 0.000 1.286 1284 F HN 0.598 nan 8.300 nan 0.000 0.440 1285 G N -0.072 108.817 108.800 0.148 0.000 2.494 1285 G HA2 0.838 4.796 3.960 -0.004 0.000 0.308 1285 G HA3 0.838 4.796 3.960 -0.004 0.000 0.308 1285 G C -0.735 174.071 174.900 -0.157 0.000 1.263 1285 G CA -0.133 44.793 45.100 -0.289 0.000 0.840 1285 G HN 2.243 nan 8.290 nan 0.000 0.479 1286 G N -1.751 106.911 108.800 -0.229 0.000 2.356 1286 G HA2 0.579 4.537 3.960 -0.004 0.000 0.266 1286 G HA3 0.579 4.537 3.960 -0.004 0.000 0.266 1286 G C -0.026 174.941 174.900 0.111 0.000 1.312 1286 G CA 0.938 46.039 45.100 0.002 0.000 0.922 1286 G HN 1.955 nan 8.290 nan 0.000 0.480 1287 T N -0.387 114.238 114.554 0.119 0.000 2.868 1287 T HA 0.549 4.897 4.350 -0.004 0.000 0.292 1287 T C -1.264 173.408 174.700 -0.046 0.000 1.028 1287 T CA -0.463 61.618 62.100 -0.032 0.000 1.059 1287 T CB 1.772 70.584 68.868 -0.094 0.000 0.991 1287 T HN 0.203 nan 8.240 nan 0.000 0.531 1288 P HA -0.149 nan 4.420 nan 0.000 0.216 1288 P C 1.711 178.964 177.300 -0.077 0.000 1.157 1288 P CA 1.494 64.538 63.100 -0.094 0.000 0.880 1288 P CB -0.305 31.319 31.700 -0.127 0.000 0.791 1289 T N -0.531 113.982 114.554 -0.069 0.000 2.635 1289 T HA -0.215 4.133 4.350 -0.004 0.000 0.267 1289 T C 1.833 176.523 174.700 -0.017 0.000 1.040 1289 T CA 1.349 63.422 62.100 -0.046 0.000 1.156 1289 T CB -0.845 68.004 68.868 -0.032 0.000 0.863 1289 T HN 0.152 nan 8.240 nan 0.000 0.430 1290 Q N 0.504 120.309 119.800 0.009 0.000 2.061 1290 Q HA -0.051 4.286 4.340 -0.004 0.000 0.204 1290 Q C 2.708 178.720 176.000 0.020 0.000 0.984 1290 Q CA 1.038 56.868 55.803 0.046 0.000 0.846 1290 Q CB -1.049 27.740 28.738 0.085 0.000 0.902 1290 Q HN 0.427 nan 8.270 nan 0.000 0.421 1291 V N 1.342 121.265 119.914 0.016 0.000 2.407 1291 V HA -0.238 3.880 4.120 -0.004 0.000 0.248 1291 V C 2.362 178.441 176.094 -0.025 0.000 1.055 1291 V CA 1.443 63.761 62.300 0.030 0.000 1.049 1291 V CB -0.720 31.118 31.823 0.024 0.000 0.662 1291 V HN 0.227 nan 8.190 nan 0.000 0.455 1292 L N 0.947 122.140 121.223 -0.049 0.000 2.046 1292 L HA -0.159 4.179 4.340 -0.004 0.000 0.208 1292 L C 2.088 178.913 176.870 -0.075 0.000 1.077 1292 L CA 2.320 57.118 54.840 -0.069 0.000 0.747 1292 L CB -0.952 41.062 42.059 -0.075 0.000 0.896 1292 L HN 0.383 nan 8.230 nan 0.000 0.432 1293 N N -0.476 118.190 118.700 -0.056 0.000 2.142 1293 N HA -0.152 4.586 4.740 -0.004 0.000 0.186 1293 N C 1.801 177.201 175.510 -0.182 0.000 1.023 1293 N CA 1.735 54.766 53.050 -0.032 0.000 0.852 1293 N CB -0.216 38.313 38.487 0.070 0.000 0.998 1293 N HN 0.470 nan 8.380 nan 0.000 0.424 1294 I N -0.093 120.224 120.570 -0.422 0.000 2.127 1294 I HA -0.300 3.868 4.170 -0.004 0.000 0.241 1294 I C 2.246 177.980 176.117 -0.639 0.000 1.075 1294 I CA 1.709 62.388 61.300 -1.034 0.000 1.334 1294 I CB -0.819 36.650 38.000 -0.887 0.000 1.040 1294 I HN 0.372 nan 8.210 nan 0.000 0.405 1295 T N -1.655 112.711 114.554 -0.313 0.000 2.867 1295 T HA -0.186 4.162 4.350 -0.004 0.000 0.268 1295 T C 1.779 176.408 174.700 -0.119 0.000 1.057 1295 T CA 1.034 63.026 62.100 -0.180 0.000 1.136 1295 T CB -0.366 68.467 68.868 -0.057 0.000 0.874 1295 T HN 0.399 nan 8.240 nan 0.000 0.466 1296 Q N 0.372 120.111 119.800 -0.102 0.000 2.046 1296 Q HA -0.076 4.262 4.340 -0.004 0.000 0.200 1296 Q C 2.629 178.623 176.000 -0.012 0.000 0.975 1296 Q CA 1.263 57.047 55.803 -0.030 0.000 0.836 1296 Q CB -0.063 28.660 28.738 -0.025 0.000 0.896 1296 Q HN 0.534 nan 8.270 nan 0.000 0.428 1297 E N 0.156 120.334 120.200 -0.037 0.000 2.110 1297 E HA -0.155 4.192 4.350 -0.004 0.000 0.193 1297 E C 2.098 178.680 176.600 -0.030 0.000 0.988 1297 E CA 0.725 57.136 56.400 0.019 0.000 0.804 1297 E CB -0.296 29.522 29.700 0.196 0.000 0.745 1297 E HN 0.357 nan 8.360 nan 0.000 0.458 1298 C N 0.419 119.652 119.300 -0.112 0.000 2.453 1298 C HA -0.104 4.354 4.460 -0.004 0.000 0.277 1298 C C 2.493 177.373 174.990 -0.184 0.000 1.262 1298 C CA 0.269 59.205 59.018 -0.136 0.000 1.718 1298 C CB -1.195 26.430 27.740 -0.192 0.000 2.031 1298 C HN 0.336 nan 8.230 nan 0.000 0.480 1299 F N 1.815 121.624 119.950 -0.235 0.000 2.171 1299 F HA -0.111 4.414 4.527 -0.003 0.000 0.300 1299 F C 2.265 177.938 175.800 -0.212 0.000 1.090 1299 F CA 1.620 59.487 58.000 -0.221 0.000 1.293 1299 F CB -0.447 38.459 39.000 -0.157 0.000 1.013 1299 F HN 0.154 nan 8.300 nan 0.000 0.486 1300 K N -0.408 119.892 120.400 -0.166 0.000 2.063 1300 K HA -0.121 4.197 4.320 -0.004 0.000 0.208 1300 K C 2.393 178.833 176.600 -0.268 0.000 1.048 1300 K CA 1.305 57.471 56.287 -0.202 0.000 0.928 1300 K CB -0.928 31.525 32.500 -0.079 0.000 0.713 1300 K HN 0.403 nan 8.250 nan 0.000 0.442 1301 G N 1.036 109.673 108.800 -0.272 0.000 2.418 1301 G HA2 -0.231 3.726 3.960 -0.004 0.000 0.217 1301 G HA3 -0.231 3.726 3.960 -0.004 0.000 0.217 1301 G C 1.477 176.095 174.900 -0.470 0.000 1.158 1301 G CA 0.783 45.732 45.100 -0.252 0.000 0.771 1301 G HN 0.161 nan 8.290 nan 0.000 0.545 1302 I N 0.349 120.426 120.570 -0.822 0.000 2.163 1302 I HA -0.158 4.010 4.170 -0.004 0.000 0.243 1302 I C 2.722 178.567 176.117 -0.455 0.000 1.085 1302 I CA 0.785 61.703 61.300 -0.636 0.000 1.347 1302 I CB -0.197 37.459 38.000 -0.575 0.000 1.044 1302 I HN 0.125 nan 8.210 nan 0.000 0.408 1303 L N 0.441 121.310 121.223 -0.589 0.000 2.046 1303 L HA -0.227 4.111 4.340 -0.004 0.000 0.208 1303 L C 2.615 179.334 176.870 -0.253 0.000 1.077 1303 L CA 1.402 55.968 54.840 -0.456 0.000 0.747 1303 L CB -0.547 41.204 42.059 -0.513 0.000 0.896 1303 L HN 0.226 nan 8.230 nan 0.000 0.432 1304 K N 0.109 120.383 120.400 -0.211 0.000 2.097 1304 K HA -0.204 4.114 4.320 -0.004 0.000 0.206 1304 K C 1.591 178.139 176.600 -0.085 0.000 1.049 1304 K CA 1.718 57.932 56.287 -0.120 0.000 0.933 1304 K CB 0.064 32.512 32.500 -0.086 0.000 0.717 1304 K HN 0.201 nan 8.250 nan 0.000 0.442 1305 D N 0.624 120.978 120.400 -0.076 0.000 2.117 1305 D HA -0.103 4.534 4.640 -0.004 0.000 0.198 1305 D C 1.603 177.866 176.300 -0.061 0.000 0.982 1305 D CA 1.123 55.102 54.000 -0.036 0.000 0.828 1305 D CB 0.032 40.847 40.800 0.025 0.000 0.967 1305 D HN 0.221 nan 8.370 nan 0.000 0.464 1306 K N 0.428 120.771 120.400 -0.095 0.000 2.152 1306 K HA -0.107 4.211 4.320 -0.004 0.000 0.206 1306 K C 1.829 178.384 176.600 -0.075 0.000 1.048 1306 K CA 0.832 57.065 56.287 -0.090 0.000 0.933 1306 K CB 0.137 32.566 32.500 -0.119 0.000 0.721 1306 K HN -0.008 nan 8.250 nan 0.000 0.447 1307 K N 0.519 120.872 120.400 -0.079 0.000 2.296 1307 K HA 0.002 4.319 4.320 -0.004 0.000 0.200 1307 K C 0.985 177.555 176.600 -0.050 0.000 1.048 1307 K CA 0.726 56.975 56.287 -0.063 0.000 0.966 1307 K CB 0.027 32.488 32.500 -0.066 0.000 0.754 1307 K HN 0.169 nan 8.250 nan 0.000 0.466 1308 N N 1.695 120.366 118.700 -0.049 0.000 2.276 1308 N HA -0.062 4.676 4.740 -0.004 0.000 0.212 1308 N C -0.604 174.882 175.510 -0.039 0.000 1.127 1308 N CA 0.109 53.134 53.050 -0.041 0.000 0.834 1308 N CB 0.234 38.697 38.487 -0.039 0.000 1.014 1308 N HN 0.105 nan 8.380 nan 0.000 0.491 1309 D N 1.109 121.484 120.400 -0.042 0.000 2.697 1309 D HA -0.216 4.421 4.640 -0.004 0.000 0.235 1309 D C -0.696 175.581 176.300 -0.038 0.000 1.167 1309 D CA 0.606 54.582 54.000 -0.040 0.000 0.656 1309 D CB -1.220 39.559 40.800 -0.035 0.000 1.025 1309 D HN 0.474 nan 8.370 nan 0.000 0.419 1310 I N -0.068 120.479 120.570 -0.039 0.000 2.827 1310 I HA 0.458 4.625 4.170 -0.004 0.000 0.298 1310 I C -1.423 174.674 176.117 -0.033 0.000 1.235 1310 I CA -0.840 60.438 61.300 -0.037 0.000 1.021 1310 I CB 1.917 39.897 38.000 -0.033 0.000 1.259 1310 I HN 0.089 nan 8.210 nan 0.000 0.427 1311 E N 5.750 125.925 120.200 -0.043 0.000 2.265 1311 E HA 0.640 4.988 4.350 -0.004 0.000 0.262 1311 E C -0.770 175.777 176.600 -0.089 0.000 0.889 1311 E CA -0.764 55.611 56.400 -0.042 0.000 0.789 1311 E CB 1.857 31.528 29.700 -0.047 0.000 1.221 1311 E HN 0.799 nan 8.360 nan 0.000 0.414 1312 A N 3.737 126.518 122.820 -0.065 0.000 2.603 1312 A HA -0.138 4.180 4.320 -0.004 0.000 0.235 1312 A C 1.053 178.466 177.584 -0.285 0.000 1.035 1312 A CA 0.696 52.657 52.037 -0.126 0.000 0.755 1312 A CB 0.347 19.259 19.000 -0.147 0.000 0.954 1312 A HN 0.962 nan 8.150 nan 0.000 0.511 1313 Q N 1.436 121.111 119.800 -0.209 0.000 2.234 1313 Q HA -0.129 4.209 4.340 -0.004 0.000 0.206 1313 Q C 0.374 175.877 176.000 -0.828 0.000 0.980 1313 Q CA 1.631 57.144 55.803 -0.485 0.000 0.869 1313 Q CB 0.026 28.492 28.738 -0.453 0.000 0.912 1313 Q HN 0.915 nan 8.270 nan 0.000 0.436 1314 W N 0.107 121.219 121.300 -0.313 0.000 2.771 1314 W HA 0.145 4.802 4.660 -0.004 0.000 0.412 1314 W C -0.137 176.322 176.519 -0.100 0.000 0.965 1314 W CA 0.074 57.330 57.345 -0.148 0.000 2.045 1314 W CB 0.120 29.649 29.460 0.115 0.000 1.176 1314 W HN 0.353 nan 8.180 nan 0.000 0.634 1315 H N -0.178 118.974 119.070 0.136 0.000 1.452 1315 H HA -0.350 4.204 4.556 -0.004 0.000 0.090 1315 H C 1.658 177.106 175.328 0.201 0.000 0.973 1315 H CA 1.925 58.036 56.048 0.105 0.000 1.901 1315 H CB -1.312 28.446 29.762 -0.006 0.000 2.257 1315 H HN 0.046 nan 8.280 nan 0.000 0.961 1316 D N 0.853 121.441 120.400 0.313 0.000 2.190 1316 D HA -0.203 4.435 4.640 -0.004 0.000 0.200 1316 D C 1.702 178.096 176.300 0.157 0.000 0.992 1316 D CA 1.862 55.985 54.000 0.205 0.000 0.854 1316 D CB -0.533 40.321 40.800 0.089 0.000 0.936 1316 D HN 0.720 nan 8.370 nan 0.000 0.462 1317 E N 0.568 120.892 120.200 0.207 0.000 2.150 1317 E HA -0.124 4.224 4.350 -0.004 0.000 0.193 1317 E C 1.874 178.547 176.600 0.120 0.000 0.985 1317 E CA 0.873 57.371 56.400 0.163 0.000 0.814 1317 E CB 0.168 30.035 29.700 0.278 0.000 0.752 1317 E HN 0.141 nan 8.360 nan 0.000 0.466 1318 S N -0.228 115.570 115.700 0.163 0.000 2.368 1318 S HA -0.126 4.342 4.470 -0.004 0.000 0.224 1318 S C 1.691 176.233 174.600 -0.096 0.000 1.029 1318 S CA 0.724 58.964 58.200 0.066 0.000 0.988 1318 S CB -0.317 62.900 63.200 0.029 0.000 0.838 1318 S HN 0.436 nan 8.310 nan 0.000 0.462 1319 H N 0.498 119.572 119.070 0.006 0.000 2.389 1319 H HA 0.013 4.567 4.556 -0.004 0.000 0.299 1319 H C 2.227 177.496 175.328 -0.099 0.000 1.081 1319 H CA 1.224 57.243 56.048 -0.048 0.000 1.345 1319 H CB -0.523 29.203 29.762 -0.059 0.000 1.393 1319 H HN 0.226 nan 8.280 nan 0.000 0.520 1320 L N 1.373 122.565 121.223 -0.053 0.000 2.017 1320 L HA -0.150 4.188 4.340 -0.004 0.000 0.208 1320 L C 1.976 178.780 176.870 -0.110 0.000 1.073 1320 L CA 1.474 56.163 54.840 -0.253 0.000 0.745 1320 L CB -0.629 41.242 42.059 -0.312 0.000 0.894 1320 L HN 0.125 nan 8.230 nan 0.000 0.432 1321 N N -0.143 118.571 118.700 0.024 0.000 2.104 1321 N HA -0.241 4.497 4.740 -0.004 0.000 0.190 1321 N C 1.872 177.388 175.510 0.009 0.000 1.024 1321 N CA 1.445 54.582 53.050 0.145 0.000 0.853 1321 N CB -0.139 38.402 38.487 0.090 0.000 1.008 1321 N HN 0.253 nan 8.380 nan 0.000 0.424 1322 K N 0.929 121.266 120.400 -0.105 0.000 2.057 1322 K HA -0.166 4.152 4.320 -0.004 0.000 0.207 1322 K C 2.022 178.567 176.600 -0.092 0.000 1.049 1322 K CA 1.104 57.297 56.287 -0.157 0.000 0.931 1322 K CB -0.828 31.586 32.500 -0.143 0.000 0.714 1322 K HN 0.218 nan 8.250 nan 0.000 0.440 1323 Y N -0.136 120.055 120.300 -0.180 0.000 2.145 1323 Y HA -0.086 4.462 4.550 -0.003 0.000 0.286 1323 Y C 1.637 177.438 175.900 -0.164 0.000 1.145 1323 Y CA 1.842 59.807 58.100 -0.226 0.000 1.148 1323 Y CB -0.450 37.783 38.460 -0.378 0.000 0.981 1323 Y HN 0.104 nan 8.280 nan 0.000 0.507 1324 F N -0.984 119.023 119.950 0.095 0.000 2.546 1324 F HA -0.160 4.364 4.527 -0.004 0.000 0.298 1324 F C 1.968 177.712 175.800 -0.093 0.000 1.120 1324 F CA 0.148 58.129 58.000 -0.031 0.000 1.456 1324 F CB 0.022 38.919 39.000 -0.172 0.000 1.088 1324 F HN 0.227 nan 8.300 nan 0.000 0.572 1325 L N -0.003 121.256 121.223 0.060 0.000 2.102 1325 L HA -0.071 4.266 4.340 -0.004 0.000 0.202 1325 L C 1.855 178.622 176.870 -0.173 0.000 1.076 1325 L CA 1.648 56.454 54.840 -0.056 0.000 0.761 1325 L CB -0.444 41.537 42.059 -0.129 0.000 0.921 1325 L HN 0.034 nan 8.230 nan 0.000 0.444 1326 L N -0.469 120.617 121.223 -0.229 0.000 2.179 1326 L HA -0.010 4.328 4.340 -0.004 0.000 0.208 1326 L C 0.333 177.010 176.870 -0.322 0.000 1.096 1326 L CA 0.579 55.256 54.840 -0.271 0.000 0.779 1326 L CB -0.364 41.514 42.059 -0.302 0.000 0.922 1326 L HN 0.302 nan 8.230 nan 0.000 0.443 1327 N N 0.996 119.449 118.700 -0.411 0.000 2.844 1327 N HA 0.166 4.904 4.740 -0.004 0.000 0.268 1327 N C -0.850 174.569 175.510 -0.151 0.000 1.574 1327 N CA -0.172 52.671 53.050 -0.345 0.000 0.838 1327 N CB 0.852 38.971 38.487 -0.613 0.000 1.177 1327 N HN 0.195 nan 8.380 nan 0.000 0.495 1328 K N 1.982 122.205 120.400 -0.294 0.000 2.530 1328 K HA 0.018 4.336 4.320 -0.004 0.000 0.280 1328 K C -1.944 174.548 176.600 -0.180 0.000 1.004 1328 K CA -0.496 55.509 56.287 -0.471 0.000 1.071 1328 K CB 0.125 31.839 32.500 -1.310 0.000 0.876 1328 K HN 0.274 nan 8.250 nan 0.000 0.487 1329 P HA -0.042 nan 4.420 nan 0.000 0.272 1329 P C 0.490 177.922 177.300 0.221 0.000 1.230 1329 P CA -0.069 63.025 63.100 -0.009 0.000 0.788 1329 P CB 0.710 32.152 31.700 -0.429 0.000 0.949 1330 T N -1.962 112.685 114.554 0.155 0.000 3.081 1330 T HA 0.092 4.439 4.350 -0.004 0.000 0.255 1330 T C 0.590 175.356 174.700 0.110 0.000 1.113 1330 T CA 0.527 62.733 62.100 0.177 0.000 1.082 1330 T CB 0.079 69.026 68.868 0.131 0.000 0.939 1330 T HN 0.510 nan 8.240 nan 0.000 0.506 1331 K N 0.123 120.553 120.400 0.049 0.000 2.546 1331 K HA 0.623 4.940 4.320 -0.004 0.000 0.264 1331 K C -2.103 174.461 176.600 -0.060 0.000 0.937 1331 K CA -0.987 55.288 56.287 -0.021 0.000 0.833 1331 K CB 1.919 34.391 32.500 -0.047 0.000 1.378 1331 K HN 0.170 nan 8.250 nan 0.000 0.432 1332 I N 4.359 124.877 120.570 -0.086 0.000 2.608 1332 I HA 0.364 4.532 4.170 -0.004 0.000 0.295 1332 I C -0.707 175.318 176.117 -0.153 0.000 1.049 1332 I CA -1.113 60.128 61.300 -0.098 0.000 1.063 1332 I CB 1.924 39.865 38.000 -0.098 0.000 1.248 1332 I HN 0.400 nan 8.210 nan 0.000 0.424 1333 L N 4.318 125.451 121.223 -0.150 0.000 2.295 1333 L HA 0.424 4.762 4.340 -0.004 0.000 0.285 1333 L C 0.655 177.394 176.870 -0.220 0.000 1.035 1333 L CA -0.563 54.130 54.840 -0.246 0.000 0.806 1333 L CB 1.675 43.558 42.059 -0.292 0.000 1.214 1333 L HN 0.721 nan 8.230 nan 0.000 0.426 1334 S N 2.272 117.719 115.700 -0.421 0.000 2.587 1334 S HA 0.169 4.636 4.470 -0.004 0.000 0.260 1334 S C -1.908 172.432 174.600 -0.433 0.000 1.353 1334 S CA -0.898 56.755 58.200 -0.911 0.000 0.995 1334 S CB 0.473 62.446 63.200 -2.045 0.000 0.912 1334 S HN 0.455 nan 8.310 nan 0.000 0.568 1335 P HA -0.033 nan 4.420 nan 0.000 0.226 1335 P C 0.757 178.072 177.300 0.024 0.000 1.146 1335 P CA 0.970 64.035 63.100 -0.058 0.000 0.773 1335 P CB -0.088 31.581 31.700 -0.051 0.000 0.772 1336 E N -1.864 118.189 120.200 -0.244 0.000 2.268 1336 E HA -0.162 4.185 4.350 -0.004 0.000 0.195 1336 E C 0.801 177.252 176.600 -0.249 0.000 0.995 1336 E CA 0.881 57.121 56.400 -0.268 0.000 0.836 1336 E CB -0.426 29.060 29.700 -0.358 0.000 0.763 1336 E HN 0.449 nan 8.360 nan 0.000 0.491 1337 Y N -1.171 119.081 120.300 -0.081 0.000 2.471 1337 Y HA 0.134 4.681 4.550 -0.004 0.000 0.286 1337 Y C 0.496 176.512 175.900 0.193 0.000 1.188 1337 Y CA -0.107 57.984 58.100 -0.015 0.000 1.286 1337 Y CB 0.750 39.096 38.460 -0.191 0.000 1.072 1337 Y HN -0.012 nan 8.280 nan 0.000 0.517 1338 C N 1.073 120.568 119.300 0.326 0.000 2.706 1338 C HA 0.086 4.544 4.460 -0.004 0.000 0.283 1338 C C -0.695 174.610 174.990 0.525 0.000 0.856 1338 C CA -1.216 58.078 59.018 0.461 0.000 0.951 1338 C CB -1.293 26.767 27.740 0.534 0.000 1.635 1338 C HN 0.559 nan 8.230 nan 0.000 0.692 1339 W N 2.681 123.985 121.300 0.008 0.000 2.381 1339 W HA 0.485 5.143 4.660 -0.004 0.000 0.329 1339 W C -0.649 175.386 176.519 -0.807 0.000 1.157 1339 W CA 0.308 57.444 57.345 -0.348 0.000 1.240 1339 W CB 1.181 30.393 29.460 -0.413 0.000 1.199 1339 W HN 0.601 nan 8.180 nan 0.000 0.579 1340 D N 3.632 122.725 120.400 -2.179 0.000 2.414 1340 D HA 0.125 4.763 4.640 -0.004 0.000 0.232 1340 D C 0.280 175.817 176.300 -1.271 0.000 1.070 1340 D CA -0.358 52.536 54.000 -1.843 0.000 0.839 1340 D CB 0.446 39.978 40.800 -2.113 0.000 1.079 1340 D HN 0.344 nan 8.370 nan 0.000 0.521 1341 Y N 1.632 121.675 120.300 -0.428 0.000 2.574 1341 Y HA -0.143 4.405 4.550 -0.004 0.000 0.294 1341 Y C 2.184 178.061 175.900 -0.040 0.000 1.142 1341 Y CA 0.568 58.626 58.100 -0.070 0.000 1.314 1341 Y CB 0.037 38.540 38.460 0.071 0.000 0.991 1341 Y HN 0.678 nan 8.280 nan 0.000 0.555 1342 H N 0.159 119.189 119.070 -0.066 0.000 2.457 1342 H HA -0.136 4.418 4.556 -0.004 0.000 0.294 1342 H C 1.903 177.162 175.328 -0.115 0.000 1.064 1342 H CA 1.078 57.126 56.048 0.000 0.000 1.330 1342 H CB 0.010 29.847 29.762 0.126 0.000 1.395 1342 H HN 0.374 nan 8.280 nan 0.000 0.541 1343 I N 0.243 120.553 120.570 -0.435 0.000 2.676 1343 I HA -0.056 4.112 4.170 -0.004 0.000 0.259 1343 I C 1.637 177.653 176.117 -0.169 0.000 1.194 1343 I CA 0.742 61.665 61.300 -0.628 0.000 1.473 1343 I CB -0.068 37.328 38.000 -1.007 0.000 1.096 1343 I HN 0.556 nan 8.210 nan 0.000 0.443 1344 G N 1.224 110.058 108.800 0.058 0.000 2.516 1344 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.220 1344 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.220 1344 G C -0.872 174.256 174.900 0.380 0.000 1.165 1344 G CA -0.279 44.923 45.100 0.170 0.000 1.013 1344 G HN 0.076 nan 8.290 nan 0.000 0.590 1345 L N 2.301 123.652 121.223 0.213 0.000 2.564 1345 L HA 0.547 4.885 4.340 -0.004 0.000 0.259 1345 L C -1.809 175.048 176.870 -0.022 0.000 1.101 1345 L CA -0.910 53.986 54.840 0.093 0.000 0.900 1345 L CB 1.096 43.197 42.059 0.071 0.000 1.110 1345 L HN 0.746 nan 8.230 nan 0.000 0.468 1346 P HA 0.284 nan 4.420 nan 0.000 0.275 1346 P C 0.542 177.791 177.300 -0.085 0.000 1.266 1346 P CA -0.242 62.838 63.100 -0.034 0.000 0.793 1346 P CB 0.996 32.721 31.700 0.040 0.000 1.074 1347 A N 0.307 123.097 122.820 -0.050 0.000 2.178 1347 A HA -0.131 4.186 4.320 -0.004 0.000 0.218 1347 A C 1.591 179.132 177.584 -0.073 0.000 1.157 1347 A CA 1.356 53.357 52.037 -0.061 0.000 0.689 1347 A CB -0.787 18.185 19.000 -0.047 0.000 0.787 1347 A HN 0.489 nan 8.150 nan 0.000 0.465 1348 D N -0.116 120.252 120.400 -0.054 0.000 2.213 1348 D HA 0.007 4.644 4.640 -0.004 0.000 0.205 1348 D C 0.436 176.722 176.300 -0.024 0.000 0.961 1348 D CA 0.505 54.486 54.000 -0.032 0.000 0.853 1348 D CB -0.035 40.837 40.800 0.120 0.000 0.967 1348 D HN 0.287 nan 8.370 nan 0.000 0.496 1349 I N 2.561 122.994 120.570 -0.228 0.000 2.278 1349 I HA 0.032 4.200 4.170 -0.004 0.000 0.300 1349 I C 1.399 177.382 176.117 -0.223 0.000 1.174 1349 I CA -0.141 60.933 61.300 -0.377 0.000 1.347 1349 I CB 0.359 37.794 38.000 -0.942 0.000 1.473 1349 I HN -0.264 nan 8.210 nan 0.000 0.595 1350 K N 3.506 123.848 120.400 -0.097 0.000 2.062 1350 K HA 0.071 4.388 4.320 -0.004 0.000 0.205 1350 K C 0.432 176.987 176.600 -0.075 0.000 1.051 1350 K CA 0.915 57.161 56.287 -0.068 0.000 0.941 1350 K CB 0.197 32.685 32.500 -0.019 0.000 0.719 1350 K HN 0.366 nan 8.250 nan 0.000 0.440 1351 L N 0.656 121.826 121.223 -0.089 0.000 2.620 1351 L HA 0.208 4.545 4.340 -0.004 0.000 0.261 1351 L C -1.349 175.436 176.870 -0.141 0.000 0.978 1351 L CA -0.383 54.407 54.840 -0.084 0.000 0.897 1351 L CB 1.852 43.885 42.059 -0.042 0.000 1.207 1351 L HN -0.263 nan 8.230 nan 0.000 0.425 1352 V N 5.502 125.345 119.914 -0.117 0.000 2.485 1352 V HA 0.075 4.193 4.120 -0.004 0.000 0.287 1352 V C 0.993 177.029 176.094 -0.096 0.000 1.022 1352 V CA 0.029 62.260 62.300 -0.116 0.000 1.067 1352 V CB 0.649 32.459 31.823 -0.022 0.000 0.967 1352 V HN 0.727 nan 8.190 nan 0.000 0.479 1353 K N 3.411 123.712 120.400 -0.164 0.000 2.284 1353 K HA 0.343 4.661 4.320 -0.004 0.000 0.198 1353 K C 0.244 176.921 176.600 0.128 0.000 1.048 1353 K CA 0.529 56.774 56.287 -0.069 0.000 0.987 1353 K CB 0.282 32.627 32.500 -0.259 0.000 0.800 1353 K HN 0.696 nan 8.250 nan 0.000 0.486 1354 M N -0.041 119.613 119.600 0.090 0.000 2.413 1354 M HA 0.275 4.753 4.480 -0.004 0.000 0.287 1354 M C -1.765 174.593 176.300 0.097 0.000 1.186 1354 M CA -0.366 54.972 55.300 0.065 0.000 0.927 1354 M CB 2.185 34.765 32.600 -0.033 0.000 1.715 1354 M HN 0.021 nan 8.290 nan 0.000 0.478 1355 S N 2.272 118.032 115.700 0.100 0.000 2.568 1355 S HA 0.772 5.240 4.470 -0.004 0.000 0.293 1355 S C -1.527 173.242 174.600 0.281 0.000 1.089 1355 S CA -0.754 57.493 58.200 0.077 0.000 0.945 1355 S CB 0.920 64.052 63.200 -0.114 0.000 1.077 1355 S HN 0.687 nan 8.310 nan 0.000 0.485 1356 W N 1.776 123.059 121.300 -0.028 0.000 2.181 1356 W HA 0.364 5.022 4.660 -0.004 0.000 0.335 1356 W C 0.756 177.311 176.519 0.059 0.000 1.310 1356 W CA -0.730 56.629 57.345 0.023 0.000 1.226 1356 W CB -0.062 29.424 29.460 0.043 0.000 1.155 1356 W HN 0.569 nan 8.180 nan 0.000 0.565 1357 Q N 1.178 121.128 119.800 0.250 0.000 2.235 1357 Q HA 0.158 4.495 4.340 -0.004 0.000 0.250 1357 Q C 0.278 176.408 176.000 0.216 0.000 0.909 1357 Q CA -0.384 55.559 55.803 0.233 0.000 0.910 1357 Q CB 1.704 30.593 28.738 0.250 0.000 1.223 1357 Q HN 0.418 nan 8.270 nan 0.000 0.432 1358 T N 1.140 115.836 114.554 0.236 0.000 2.926 1358 T HA 0.071 4.419 4.350 -0.004 0.000 0.307 1358 T C 0.954 175.771 174.700 0.195 0.000 1.059 1358 T CA 0.286 62.494 62.100 0.180 0.000 1.122 1358 T CB 0.381 69.326 68.868 0.129 0.000 0.972 1358 T HN 0.462 nan 8.240 nan 0.000 0.545 1359 K N 1.806 122.278 120.400 0.121 0.000 2.335 1359 K HA 0.164 4.481 4.320 -0.004 0.000 0.195 1359 K C 0.524 177.177 176.600 0.088 0.000 1.058 1359 K CA 0.326 56.678 56.287 0.108 0.000 0.988 1359 K CB 0.396 32.910 32.500 0.022 0.000 0.880 1359 K HN 0.793 nan 8.250 nan 0.000 0.513 1360 E N -0.496 119.743 120.200 0.065 0.000 2.393 1360 E HA 0.142 4.490 4.350 -0.004 0.000 0.273 1360 E C -1.507 175.142 176.600 0.082 0.000 0.918 1360 E CA -1.043 55.397 56.400 0.068 0.000 0.773 1360 E CB 1.035 30.761 29.700 0.043 0.000 1.275 1360 E HN -0.025 nan 8.360 nan 0.000 0.451 1361 Y N 2.601 122.888 120.300 -0.022 0.000 2.594 1361 Y HA 0.293 4.841 4.550 -0.004 0.000 0.342 1361 Y C 0.024 175.915 175.900 -0.015 0.000 1.010 1361 Y CA -0.319 57.766 58.100 -0.025 0.000 1.270 1361 Y CB 0.382 38.822 38.460 -0.034 0.000 1.125 1361 Y HN 0.522 nan 8.280 nan 0.000 0.513 1362 N N 5.235 123.759 118.700 -0.293 0.000 2.373 1362 N HA 0.210 4.948 4.740 -0.004 0.000 0.181 1362 N C 0.279 175.590 175.510 -0.332 0.000 1.082 1362 N CA 1.251 54.164 53.050 -0.228 0.000 0.885 1362 N CB 0.701 39.101 38.487 -0.145 0.000 0.977 1362 N HN 0.672 nan 8.380 nan 0.000 0.462 1363 V N 0.000 119.522 119.914 -0.653 0.000 2.409 1363 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 1363 V CA 0.000 62.001 62.300 -0.499 0.000 1.235 1363 V CB 0.000 nan 31.823 nan 0.000 1.184 1363 V HN 0.000 nan 8.190 nan 0.000 0.556