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 2jck_1_A 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 KMSWQTKE 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 0.000 176.838 176.870 -0.054 0.000 1.165 1083 L CA 0.000 54.717 54.840 -0.206 0.000 0.813 1083 L CB 0.000 41.654 42.059 -0.675 0.000 0.961 1084 K N 3.263 123.674 120.400 0.018 0.000 2.156 1084 K HA 0.456 4.730 4.320 -0.076 0.000 0.250 1084 K C 0.410 177.095 176.600 0.142 0.000 0.955 1084 K CA -0.882 55.447 56.287 0.070 0.000 0.855 1084 K CB 2.021 34.550 32.500 0.050 0.000 1.101 1084 K HN 0.604 nan 8.250 nan 0.000 0.434 1085 L N 2.068 123.363 121.223 0.121 0.000 2.042 1085 L HA -0.234 4.061 4.340 -0.076 0.000 0.210 1085 L C 2.083 178.886 176.870 -0.111 0.000 1.076 1085 L CA 2.184 57.060 54.840 0.060 0.000 0.749 1085 L CB -0.555 41.536 42.059 0.054 0.000 0.893 1085 L HN 0.849 nan 8.230 nan 0.000 0.432 1086 S N -2.010 113.678 115.700 -0.020 0.000 2.447 1086 S HA -0.156 4.268 4.470 -0.076 0.000 0.233 1086 S C 1.640 176.238 174.600 -0.003 0.000 1.006 1086 S CA 0.963 59.149 58.200 -0.023 0.000 0.957 1086 S CB -0.710 62.497 63.200 0.012 0.000 0.773 1086 S HN 0.499 nan 8.310 nan 0.000 0.507 1087 D N 1.065 121.497 120.400 0.054 0.000 2.178 1087 D HA -0.050 4.544 4.640 -0.076 0.000 0.201 1087 D C 1.622 178.038 176.300 0.194 0.000 0.980 1087 D CA 1.368 55.437 54.000 0.116 0.000 0.842 1087 D CB -0.153 40.725 40.800 0.131 0.000 0.948 1087 D HN 0.882 nan 8.370 nan 0.000 0.472 1088 W N -1.574 119.773 121.300 0.079 0.000 2.701 1088 W HA 0.276 4.893 4.660 -0.071 0.000 0.254 1088 W C -0.483 176.172 176.519 0.227 0.000 1.017 1088 W CA -0.473 56.948 57.345 0.127 0.000 1.326 1088 W CB -0.108 29.415 29.460 0.106 0.000 0.881 1088 W HN -0.276 nan 8.180 nan 0.000 0.647 1089 F N 4.396 123.675 119.950 -1.118 0.000 2.411 1089 F HA 0.487 4.968 4.527 -0.076 0.000 0.352 1089 F C -0.541 174.971 175.800 -0.480 0.000 1.123 1089 F CA -1.143 56.217 58.000 -1.067 0.000 1.044 1089 F CB 0.853 38.878 39.000 -1.625 0.000 1.135 1089 F HN -0.261 nan 8.300 nan 0.000 0.461 1090 N N 8.052 126.234 118.700 -0.862 0.000 2.841 1090 N HA 0.228 4.922 4.740 -0.076 0.000 0.257 1090 N C -2.134 172.680 175.510 -1.161 0.000 1.396 1090 N CA -1.475 51.078 53.050 -0.828 0.000 0.823 1090 N CB 1.162 39.177 38.487 -0.786 0.000 1.162 1090 N HN 0.325 nan 8.380 nan 0.000 0.503 1091 P HA -0.163 nan 4.420 nan 0.000 0.218 1091 P C 1.398 178.432 177.300 -0.443 0.000 1.148 1091 P CA 0.967 63.611 63.100 -0.760 0.000 0.822 1091 P CB -0.054 31.389 31.700 -0.428 0.000 0.784 1092 F N 0.267 120.058 119.950 -0.265 0.000 2.408 1092 F HA 0.022 4.504 4.527 -0.076 0.000 0.300 1092 F C 1.716 177.412 175.800 -0.173 0.000 1.090 1092 F CA 0.661 58.553 58.000 -0.180 0.000 1.427 1092 F CB -1.436 37.477 39.000 -0.145 0.000 1.070 1092 F HN -0.273 nan 8.300 nan 0.000 0.549 1093 K N 0.665 120.582 120.400 -0.804 0.000 2.362 1093 K HA 0.022 4.296 4.320 -0.076 0.000 0.200 1093 K C 0.308 176.724 176.600 -0.307 0.000 1.046 1093 K CA 0.578 56.549 56.287 -0.527 0.000 0.952 1093 K CB -0.143 31.978 32.500 -0.632 0.000 0.753 1093 K HN 0.262 nan 8.250 nan 0.000 0.466 1094 R N 0.772 121.091 120.500 -0.302 0.000 2.629 1094 R HA 0.154 4.448 4.340 -0.076 0.000 0.277 1094 R C -2.117 174.030 176.300 -0.254 0.000 1.637 1094 R CA -1.414 54.522 56.100 -0.274 0.000 1.663 1094 R CB 0.866 30.981 30.300 -0.308 0.000 1.228 1094 R HN -0.020 nan 8.270 nan 0.000 0.632 1095 P HA -0.022 nan 4.420 nan 0.000 0.237 1095 P C 0.225 177.446 177.300 -0.131 0.000 1.178 1095 P CA 0.693 63.721 63.100 -0.120 0.000 0.766 1095 P CB 0.672 32.334 31.700 -0.064 0.000 0.876 1096 E N 0.146 120.236 120.200 -0.184 0.000 2.479 1096 E HA 0.092 4.396 4.350 -0.076 0.000 0.193 1096 E C 1.097 177.574 176.600 -0.206 0.000 1.049 1096 E CA 0.120 56.422 56.400 -0.164 0.000 0.870 1096 E CB 0.383 29.989 29.700 -0.155 0.000 0.944 1096 E HN 0.279 nan 8.360 nan 0.000 0.492 1097 V N -2.988 116.729 119.914 -0.328 0.000 3.126 1097 V HA 0.511 4.585 4.120 -0.076 0.000 0.314 1097 V C 0.254 176.251 176.094 -0.161 0.000 1.138 1097 V CA -1.261 60.816 62.300 -0.373 0.000 1.034 1097 V CB 1.858 32.976 31.823 -1.175 0.000 1.075 1097 V HN -0.252 nan 8.190 nan 0.000 0.442 1098 V N 2.154 122.129 119.914 0.101 0.000 2.470 1098 V HA 0.291 4.365 4.120 -0.076 0.000 0.276 1098 V C 1.468 177.764 176.094 0.336 0.000 1.040 1098 V CA 0.870 63.317 62.300 0.244 0.000 1.008 1098 V CB 0.510 32.576 31.823 0.405 0.000 0.990 1098 V HN 1.194 nan 8.190 nan 0.000 0.477 1099 T N 1.139 115.836 114.554 0.237 0.000 3.054 1099 T HA 0.434 4.738 4.350 -0.076 0.000 0.255 1099 T C 0.080 174.994 174.700 0.356 0.000 1.035 1099 T CA -0.052 62.259 62.100 0.351 0.000 0.941 1099 T CB 0.215 69.196 68.868 0.188 0.000 1.026 1099 T HN 0.486 nan 8.240 nan 0.000 0.533 1100 M N 2.202 121.927 119.600 0.207 0.000 2.426 1100 M HA 0.420 4.854 4.480 -0.076 0.000 0.289 1100 M C -1.115 175.181 176.300 -0.007 0.000 1.168 1100 M CA -0.451 54.904 55.300 0.090 0.000 0.933 1100 M CB 2.161 34.831 32.600 0.116 0.000 1.750 1100 M HN 0.228 nan 8.290 nan 0.000 0.494 1101 T N -0.030 114.390 114.554 -0.224 0.000 2.824 1101 T HA 0.398 4.702 4.350 -0.076 0.000 0.277 1101 T C 0.683 175.181 174.700 -0.338 0.000 0.975 1101 T CA -0.421 61.423 62.100 -0.427 0.000 0.966 1101 T CB 1.285 69.340 68.868 -1.355 0.000 1.054 1101 T HN 0.810 nan 8.240 nan 0.000 0.533 1102 K N -0.059 120.204 120.400 -0.229 0.000 2.147 1102 K HA -0.050 4.224 4.320 -0.076 0.000 0.205 1102 K C 1.534 178.206 176.600 0.119 0.000 1.049 1102 K CA 1.597 57.901 56.287 0.028 0.000 0.936 1102 K CB -0.541 32.064 32.500 0.174 0.000 0.722 1102 K HN 0.888 nan 8.250 nan 0.000 0.446 1103 W N 0.668 122.044 121.300 0.127 0.000 3.405 1103 W HA 0.344 4.957 4.660 -0.078 0.000 0.300 1103 W C -0.515 176.062 176.519 0.097 0.000 1.286 1103 W CA -0.502 56.904 57.345 0.103 0.000 1.762 1103 W CB 0.258 29.779 29.460 0.102 0.000 1.087 1103 W HN -0.144 nan 8.180 nan 0.000 0.703 1104 K N -0.717 119.636 120.400 -0.078 0.000 3.291 1104 K HA -0.213 4.061 4.320 -0.076 0.000 0.290 1104 K C 0.176 176.729 176.600 -0.079 0.000 1.235 1104 K CA 1.233 57.493 56.287 -0.044 0.000 0.848 1104 K CB -2.246 30.292 32.500 0.065 0.000 1.295 1104 K HN 0.490 nan 8.250 nan 0.000 0.497 1105 A N 2.016 124.672 122.820 -0.274 0.000 2.362 1105 A HA 0.481 4.755 4.320 -0.076 0.000 0.276 1105 A C -1.842 175.642 177.584 -0.167 0.000 1.153 1105 A CA -1.072 50.881 52.037 -0.140 0.000 0.813 1105 A CB 0.313 19.269 19.000 -0.073 0.000 1.081 1105 A HN -0.021 nan 8.150 nan 0.000 0.507 1106 P HA 0.233 nan 4.420 nan 0.000 0.275 1106 P C -0.686 176.510 177.300 -0.173 0.000 1.228 1106 P CA -0.093 62.797 63.100 -0.351 0.000 0.786 1106 P CB 1.227 32.328 31.700 -1.000 0.000 0.927 1107 V N 4.127 124.063 119.914 0.038 0.000 2.311 1107 V HA 0.089 4.163 4.120 -0.076 0.000 0.275 1107 V C 0.502 176.746 176.094 0.250 0.000 1.022 1107 V CA -0.740 61.606 62.300 0.078 0.000 0.830 1107 V CB 1.354 33.290 31.823 0.188 0.000 1.012 1107 V HN 0.264 nan 8.190 nan 0.000 0.452 1108 V N 5.146 125.109 119.914 0.082 0.000 2.415 1108 V HA 0.202 4.276 4.120 -0.076 0.000 0.267 1108 V C -0.284 175.928 176.094 0.196 0.000 1.042 1108 V CA -0.155 62.310 62.300 0.275 0.000 1.000 1108 V CB -0.215 31.672 31.823 0.108 0.000 1.015 1108 V HN 0.819 nan 8.190 nan 0.000 0.478 1109 W N 2.043 123.546 121.300 0.339 0.000 2.719 1109 W HA 0.571 5.187 4.660 -0.074 0.000 0.352 1109 W C 0.291 176.960 176.519 0.250 0.000 1.085 1109 W CA -0.950 56.528 57.345 0.222 0.000 1.187 1109 W CB 0.986 30.491 29.460 0.074 0.000 1.417 1109 W HN 0.463 nan 8.180 nan 0.000 0.557 1110 E N 0.659 121.101 120.200 0.404 0.000 2.452 1110 E HA 0.335 4.639 4.350 -0.076 0.000 0.261 1110 E C 1.071 177.687 176.600 0.027 0.000 0.987 1110 E CA 1.891 58.421 56.400 0.217 0.000 0.926 1110 E CB 0.394 30.143 29.700 0.082 0.000 0.934 1110 E HN 0.669 nan 8.360 nan 0.000 0.452 1111 G N 2.880 111.551 108.800 -0.215 0.000 2.234 1111 G HA2 -0.326 3.588 3.960 -0.076 0.000 0.235 1111 G HA3 -0.326 3.588 3.960 -0.076 0.000 0.235 1111 G C 0.950 175.659 174.900 -0.320 0.000 0.997 1111 G CA 0.882 45.823 45.100 -0.265 0.000 0.623 1111 G HN 0.896 nan 8.290 nan 0.000 0.514 1112 T N -1.728 112.693 114.554 -0.221 0.000 3.044 1112 T HA 0.501 4.805 4.350 -0.076 0.000 0.250 1112 T C 0.818 175.435 174.700 -0.140 0.000 1.081 1112 T CA 0.937 62.858 62.100 -0.299 0.000 1.040 1112 T CB -0.018 68.690 68.868 -0.265 0.000 0.962 1112 T HN 1.301 nan 8.240 nan 0.000 0.506 1113 Y N 0.091 120.458 120.300 0.110 0.000 2.487 1113 Y HA 0.763 5.269 4.550 -0.074 0.000 0.337 1113 Y C -0.454 175.578 175.900 0.219 0.000 1.076 1113 Y CA -2.259 56.023 58.100 0.304 0.000 1.115 1113 Y CB 0.892 39.648 38.460 0.493 0.000 1.235 1113 Y HN -0.139 nan 8.280 nan 0.000 0.468 1114 N N 2.974 121.952 118.700 0.463 0.000 2.707 1114 N HA 0.174 4.868 4.740 -0.076 0.000 0.235 1114 N C 0.519 176.276 175.510 0.411 0.000 1.028 1114 N CA -0.341 52.893 53.050 0.307 0.000 0.906 1114 N CB 0.695 39.323 38.487 0.235 0.000 1.131 1114 N HN 0.988 nan 8.380 nan 0.000 0.509 1115 R N 2.498 123.268 120.500 0.449 0.000 2.115 1115 R HA -0.027 4.267 4.340 -0.076 0.000 0.230 1115 R C 1.546 177.997 176.300 0.251 0.000 1.111 1115 R CA 1.491 57.809 56.100 0.362 0.000 0.976 1115 R CB 0.132 30.657 30.300 0.375 0.000 0.870 1115 R HN 0.532 nan 8.270 nan 0.000 0.445 1116 A N 0.238 123.183 122.820 0.208 0.000 1.877 1116 A HA -0.106 4.168 4.320 -0.076 0.000 0.216 1116 A C 2.204 179.888 177.584 0.166 0.000 1.186 1116 A CA 1.498 53.632 52.037 0.162 0.000 0.620 1116 A CB -0.572 18.502 19.000 0.122 0.000 0.822 1116 A HN 0.209 nan 8.150 nan 0.000 0.443 1117 V N 0.085 120.104 119.914 0.175 0.000 2.343 1117 V HA -0.251 3.824 4.120 -0.076 0.000 0.247 1117 V C 2.560 178.757 176.094 0.171 0.000 1.051 1117 V CA 2.001 64.400 62.300 0.164 0.000 1.036 1117 V CB -0.654 31.275 31.823 0.176 0.000 0.654 1117 V HN 0.563 nan 8.190 nan 0.000 0.451 1118 L N -0.718 120.618 121.223 0.188 0.000 2.109 1118 L HA -0.117 4.177 4.340 -0.076 0.000 0.207 1118 L C 2.384 179.428 176.870 0.291 0.000 1.086 1118 L CA 1.288 56.228 54.840 0.167 0.000 0.760 1118 L CB -0.721 41.421 42.059 0.138 0.000 0.910 1118 L HN 0.303 nan 8.230 nan 0.000 0.437 1119 D N 0.221 120.799 120.400 0.297 0.000 2.133 1119 D HA -0.229 4.365 4.640 -0.076 0.000 0.195 1119 D C 1.882 178.373 176.300 0.318 0.000 0.997 1119 D CA 1.541 55.772 54.000 0.386 0.000 0.840 1119 D CB -0.174 40.791 40.800 0.275 0.000 0.947 1119 D HN 0.273 nan 8.370 nan 0.000 0.452 1120 N N -0.511 118.315 118.700 0.210 0.000 2.142 1120 N HA -0.208 4.486 4.740 -0.076 0.000 0.186 1120 N C 1.858 177.454 175.510 0.144 0.000 1.023 1120 N CA 0.910 54.051 53.050 0.152 0.000 0.852 1120 N CB -0.400 38.160 38.487 0.123 0.000 0.998 1120 N HN 0.171 nan 8.380 nan 0.000 0.424 1121 Y N -0.095 120.206 120.300 0.001 0.000 2.128 1121 Y HA -0.211 4.295 4.550 -0.074 0.000 0.284 1121 Y C 1.504 177.331 175.900 -0.122 0.000 1.154 1121 Y CA 1.796 59.825 58.100 -0.118 0.000 1.149 1121 Y CB -0.663 37.627 38.460 -0.284 0.000 0.976 1121 Y HN 0.210 nan 8.280 nan 0.000 0.505 1122 Y N -0.633 119.629 120.300 -0.062 0.000 2.337 1122 Y HA -0.027 4.480 4.550 -0.072 0.000 0.293 1122 Y C 2.622 178.523 175.900 0.001 0.000 1.123 1122 Y CA 0.585 58.590 58.100 -0.158 0.000 1.201 1122 Y CB -0.520 37.841 38.460 -0.165 0.000 1.011 1122 Y HN 0.230 nan 8.280 nan 0.000 0.545 1123 A N 0.747 123.747 122.820 0.300 0.000 1.883 1123 A HA -0.230 4.044 4.320 -0.076 0.000 0.217 1123 A C 2.075 179.700 177.584 0.069 0.000 1.186 1123 A CA 1.799 53.954 52.037 0.197 0.000 0.624 1123 A CB -0.504 18.561 19.000 0.108 0.000 0.822 1123 A HN 0.371 nan 8.150 nan 0.000 0.444 1124 K N -0.456 119.951 120.400 0.012 0.000 2.211 1124 K HA -0.170 4.105 4.320 -0.076 0.000 0.204 1124 K C 1.859 178.426 176.600 -0.054 0.000 1.047 1124 K CA 1.544 57.815 56.287 -0.027 0.000 0.935 1124 K CB -0.148 32.327 32.500 -0.042 0.000 0.728 1124 K HN 0.653 nan 8.250 nan 0.000 0.452 1125 Q N 0.349 120.095 119.800 -0.090 0.000 2.392 1125 Q HA 0.066 4.360 4.340 -0.076 0.000 0.203 1125 Q C -0.538 175.464 176.000 0.003 0.000 0.917 1125 Q CA 0.004 55.763 55.803 -0.074 0.000 0.939 1125 Q CB 0.361 29.017 28.738 -0.137 0.000 1.063 1125 Q HN 0.104 nan 8.270 nan 0.000 0.516 1126 K N 1.424 121.847 120.400 0.039 0.000 3.419 1126 K HA -0.180 4.094 4.320 -0.076 0.000 0.272 1126 K C -0.212 176.429 176.600 0.068 0.000 0.973 1126 K CA 0.251 56.573 56.287 0.058 0.000 0.749 1126 K CB -2.030 30.488 32.500 0.030 0.000 1.403 1126 K HN 0.438 nan 8.250 nan 0.000 0.456 1127 I N -2.735 117.897 120.570 0.103 0.000 2.713 1127 I HA 0.374 4.498 4.170 -0.076 0.000 0.300 1127 I C 0.263 176.421 176.117 0.068 0.000 1.009 1127 I CA -0.284 61.063 61.300 0.080 0.000 1.305 1127 I CB 1.524 39.583 38.000 0.099 0.000 1.430 1127 I HN -0.058 nan 8.210 nan 0.000 0.546 1128 T N 3.976 118.560 114.554 0.050 0.000 2.861 1128 T HA 0.582 4.886 4.350 -0.076 0.000 0.287 1128 T C -0.537 174.200 174.700 0.062 0.000 1.003 1128 T CA -0.467 61.661 62.100 0.047 0.000 0.977 1128 T CB 1.946 70.841 68.868 0.045 0.000 0.996 1128 T HN 0.456 nan 8.240 nan 0.000 0.448 1129 V N 2.013 121.961 119.914 0.058 0.000 2.495 1129 V HA 0.821 4.895 4.120 -0.076 0.000 0.298 1129 V C 0.644 176.856 176.094 0.196 0.000 1.031 1129 V CA -0.755 61.623 62.300 0.129 0.000 0.871 1129 V CB 1.851 33.705 31.823 0.051 0.000 0.988 1129 V HN 1.033 nan 8.190 nan 0.000 0.432 1130 G N 2.740 111.716 108.800 0.293 0.000 2.441 1130 G HA2 0.704 4.618 3.960 -0.076 0.000 0.334 1130 G HA3 0.704 4.618 3.960 -0.076 0.000 0.334 1130 G C -1.586 173.567 174.900 0.422 0.000 1.161 1130 G CA -0.549 44.774 45.100 0.372 0.000 0.935 1130 G HN 0.627 nan 8.290 nan 0.000 0.488 1131 L N 1.112 122.559 121.223 0.372 0.000 2.528 1131 L HA 0.580 4.874 4.340 -0.076 0.000 0.267 1131 L C 0.238 177.325 176.870 0.361 0.000 0.961 1131 L CA -0.512 54.504 54.840 0.293 0.000 0.866 1131 L CB 1.741 43.839 42.059 0.066 0.000 1.248 1131 L HN 0.739 nan 8.230 nan 0.000 0.404 1132 T N 1.836 116.542 114.554 0.254 0.000 2.875 1132 T HA 0.781 5.085 4.350 -0.076 0.000 0.284 1132 T C -0.564 174.189 174.700 0.087 0.000 0.995 1132 T CA -0.715 61.490 62.100 0.174 0.000 1.060 1132 T CB 1.733 70.647 68.868 0.078 0.000 0.967 1132 T HN 0.706 nan 8.240 nan 0.000 0.476 1133 V N 3.263 123.172 119.914 -0.010 0.000 2.851 1133 V HA 0.663 4.737 4.120 -0.076 0.000 0.307 1133 V C -1.979 174.046 176.094 -0.115 0.000 1.129 1133 V CA -1.085 61.157 62.300 -0.096 0.000 0.932 1133 V CB 1.689 33.297 31.823 -0.357 0.000 1.024 1133 V HN 0.910 nan 8.190 nan 0.000 0.426 1134 F N 4.567 124.430 119.950 -0.145 0.000 2.443 1134 F HA 0.875 5.361 4.527 -0.067 0.000 0.335 1134 F C 0.505 176.263 175.800 -0.070 0.000 1.104 1134 F CA -0.283 57.668 58.000 -0.082 0.000 1.013 1134 F CB 2.255 41.208 39.000 -0.077 0.000 1.136 1134 F HN 0.677 nan 8.300 nan 0.000 0.470 1135 A N 3.168 126.066 122.820 0.130 0.000 2.569 1135 A HA 0.721 4.995 4.320 -0.076 0.000 0.282 1135 A C -1.677 175.979 177.584 0.120 0.000 1.165 1135 A CA -0.528 51.591 52.037 0.138 0.000 0.747 1135 A CB 0.572 19.637 19.000 0.108 0.000 1.215 1135 A HN 0.505 nan 8.150 nan 0.000 0.431 1136 V N 2.220 122.191 119.914 0.094 0.000 2.604 1136 V HA 0.829 4.903 4.120 -0.076 0.000 0.305 1136 V C 1.097 177.244 176.094 0.089 0.000 1.043 1136 V CA 0.741 63.082 62.300 0.070 0.000 0.888 1136 V CB 1.071 32.918 31.823 0.039 0.000 0.995 1136 V HN 2.165 nan 8.190 nan 0.000 0.429 1137 G N 4.844 113.700 108.800 0.093 0.000 2.550 1137 G HA2 -0.242 3.672 3.960 -0.076 0.000 0.277 1137 G HA3 -0.242 3.672 3.960 -0.076 0.000 0.277 1137 G C 0.657 175.639 174.900 0.135 0.000 1.190 1137 G CA 0.391 45.557 45.100 0.111 0.000 0.971 1137 G HN 0.600 nan 8.290 nan 0.000 0.559 1138 R N -0.156 120.454 120.500 0.184 0.000 2.285 1138 R HA 0.056 4.350 4.340 -0.076 0.000 0.213 1138 R C 2.233 178.593 176.300 0.099 0.000 1.068 1138 R CA 1.524 57.670 56.100 0.077 0.000 1.004 1138 R CB -0.937 29.439 30.300 0.127 0.000 0.873 1138 R HN 0.629 nan 8.270 nan 0.000 0.467 1139 Y N 0.553 120.904 120.300 0.085 0.000 2.421 1139 Y HA -0.049 4.454 4.550 -0.078 0.000 0.292 1139 Y C 2.158 178.113 175.900 0.092 0.000 1.136 1139 Y CA 0.277 58.492 58.100 0.193 0.000 1.255 1139 Y CB -0.443 38.180 38.460 0.272 0.000 0.991 1139 Y HN -0.052 nan 8.280 nan 0.000 0.552 1140 I N 0.271 120.939 120.570 0.164 0.000 2.113 1140 I HA -0.292 3.832 4.170 -0.076 0.000 0.238 1140 I C 2.460 178.565 176.117 -0.020 0.000 1.070 1140 I CA 2.008 63.349 61.300 0.068 0.000 1.332 1140 I CB -0.447 37.573 38.000 0.033 0.000 1.044 1140 I HN 0.260 nan 8.210 nan 0.000 0.402 1141 E N 0.293 120.414 120.200 -0.132 0.000 2.216 1141 E HA -0.212 4.093 4.350 -0.076 0.000 0.192 1141 E C 1.844 178.304 176.600 -0.233 0.000 0.988 1141 E CA 1.194 57.478 56.400 -0.193 0.000 0.834 1141 E CB -0.463 29.079 29.700 -0.264 0.000 0.772 1141 E HN 0.592 nan 8.360 nan 0.000 0.479 1142 H N -0.549 118.344 119.070 -0.294 0.000 2.403 1142 H HA 0.045 4.555 4.556 -0.077 0.000 0.298 1142 H C 0.808 175.754 175.328 -0.636 0.000 1.059 1142 H CA 1.330 57.007 56.048 -0.618 0.000 1.363 1142 H CB 0.053 29.132 29.762 -1.139 0.000 1.410 1142 H HN 0.373 nan 8.280 nan 0.000 0.528 1143 Y N -1.961 118.394 120.300 0.090 0.000 2.476 1143 Y HA 0.054 4.557 4.550 -0.078 0.000 0.274 1143 Y C 2.079 178.037 175.900 0.097 0.000 1.120 1143 Y CA -0.331 57.816 58.100 0.078 0.000 1.214 1143 Y CB 0.063 38.550 38.460 0.045 0.000 1.285 1143 Y HN -0.088 nan 8.280 nan 0.000 0.520 1144 L N 1.646 122.994 121.223 0.208 0.000 1.990 1144 L HA -0.235 4.059 4.340 -0.076 0.000 0.213 1144 L C 2.331 179.271 176.870 0.117 0.000 1.072 1144 L CA 2.275 57.198 54.840 0.139 0.000 0.755 1144 L CB -0.526 41.572 42.059 0.066 0.000 0.889 1144 L HN 0.362 nan 8.230 nan 0.000 0.432 1145 E N -0.835 119.401 120.200 0.061 0.000 2.077 1145 E HA -0.309 3.995 4.350 -0.076 0.000 0.193 1145 E C 2.152 178.778 176.600 0.043 0.000 0.989 1145 E CA 1.518 57.928 56.400 0.016 0.000 0.800 1145 E CB -0.204 29.492 29.700 -0.006 0.000 0.746 1145 E HN 0.673 nan 8.360 nan 0.000 0.452 1146 E N -0.592 119.668 120.200 0.101 0.000 2.110 1146 E HA -0.201 4.103 4.350 -0.076 0.000 0.193 1146 E C 1.825 178.509 176.600 0.140 0.000 0.988 1146 E CA 1.042 57.511 56.400 0.116 0.000 0.804 1146 E CB -0.235 29.558 29.700 0.155 0.000 0.745 1146 E HN 0.351 nan 8.360 nan 0.000 0.458 1147 F N 1.029 121.010 119.950 0.052 0.000 2.075 1147 F HA -0.162 4.314 4.527 -0.085 0.000 0.297 1147 F C 1.854 177.630 175.800 -0.039 0.000 1.113 1147 F CA 1.483 59.513 58.000 0.050 0.000 1.218 1147 F CB -0.177 38.838 39.000 0.025 0.000 0.984 1147 F HN -0.010 nan 8.300 nan 0.000 0.472 1148 L N -0.532 120.692 121.223 0.002 0.000 2.046 1148 L HA -0.222 4.073 4.340 -0.076 0.000 0.208 1148 L C 2.363 179.006 176.870 -0.378 0.000 1.077 1148 L CA 1.748 56.381 54.840 -0.345 0.000 0.747 1148 L CB -1.254 40.621 42.059 -0.307 0.000 0.896 1148 L HN 0.169 nan 8.230 nan 0.000 0.432 1149 T N -0.476 113.960 114.554 -0.197 0.000 2.684 1149 T HA -0.189 4.115 4.350 -0.076 0.000 0.267 1149 T C 2.131 176.737 174.700 -0.157 0.000 1.036 1149 T CA 1.838 63.847 62.100 -0.151 0.000 1.148 1149 T CB -0.242 68.584 68.868 -0.071 0.000 0.863 1149 T HN 0.559 nan 8.240 nan 0.000 0.436 1150 S N 1.834 117.471 115.700 -0.106 0.000 2.387 1150 S HA 0.088 4.512 4.470 -0.076 0.000 0.226 1150 S C 2.436 176.904 174.600 -0.220 0.000 1.026 1150 S CA 0.843 59.035 58.200 -0.014 0.000 0.972 1150 S CB -0.594 62.729 63.200 0.206 0.000 0.814 1150 S HN 0.490 nan 8.310 nan 0.000 0.477 1151 A N 2.777 125.284 122.820 -0.520 0.000 1.933 1151 A HA -0.125 4.149 4.320 -0.076 0.000 0.218 1151 A C 2.099 179.471 177.584 -0.352 0.000 1.175 1151 A CA 1.841 53.295 52.037 -0.972 0.000 0.628 1151 A CB -1.324 17.047 19.000 -1.048 0.000 0.814 1151 A HN 0.641 nan 8.150 nan 0.000 0.444 1152 N N -0.138 118.416 118.700 -0.244 0.000 2.149 1152 N HA -0.204 4.490 4.740 -0.076 0.000 0.188 1152 N C 1.660 177.119 175.510 -0.085 0.000 1.019 1152 N CA 2.149 55.190 53.050 -0.014 0.000 0.857 1152 N CB -0.253 38.188 38.487 -0.078 0.000 0.997 1152 N HN 0.577 nan 8.380 nan 0.000 0.426 1153 K N -1.652 118.608 120.400 -0.233 0.000 2.186 1153 K HA -0.041 4.233 4.320 -0.076 0.000 0.202 1153 K C 0.979 177.318 176.600 -0.435 0.000 1.052 1153 K CA 0.916 56.981 56.287 -0.370 0.000 0.965 1153 K CB 0.050 32.218 32.500 -0.553 0.000 0.746 1153 K HN 0.383 nan 8.250 nan 0.000 0.457 1154 H N -1.794 117.222 119.070 -0.090 0.000 2.885 1154 H HA 0.059 4.570 4.556 -0.075 0.000 0.260 1154 H C -0.448 174.870 175.328 -0.017 0.000 0.985 1154 H CA -0.294 55.739 56.048 -0.024 0.000 1.210 1154 H CB 0.175 29.987 29.762 0.083 0.000 1.466 1154 H HN 0.028 nan 8.280 nan 0.000 0.493 1155 F N 3.603 123.373 119.950 -0.299 0.000 2.471 1155 F HA 0.152 4.622 4.527 -0.094 0.000 0.365 1155 F C 0.716 176.492 175.800 -0.040 0.000 1.095 1155 F CA -0.695 57.159 58.000 -0.244 0.000 1.174 1155 F CB 0.347 39.061 39.000 -0.477 0.000 1.105 1155 F HN -0.007 nan 8.300 nan 0.000 0.535 1156 M N 5.361 124.695 119.600 -0.443 0.000 2.175 1156 M HA -0.190 4.244 4.480 -0.076 0.000 0.192 1156 M C -0.580 175.693 176.300 -0.045 0.000 0.473 1156 M CA 0.361 55.466 55.300 -0.325 0.000 0.414 1156 M CB -2.801 29.452 32.600 -0.578 0.000 1.069 1156 M HN 0.149 nan 8.290 nan 0.000 0.933 1157 V N 0.385 120.309 119.914 0.017 0.000 2.599 1157 V HA 0.384 4.459 4.120 -0.076 0.000 0.300 1157 V C 1.678 177.778 176.094 0.010 0.000 1.034 1157 V CA 1.470 63.784 62.300 0.023 0.000 1.115 1157 V CB 0.837 32.683 31.823 0.039 0.000 0.934 1157 V HN 1.026 nan 8.190 nan 0.000 0.485 1158 G N 3.444 112.200 108.800 -0.074 0.000 2.176 1158 G HA2 -0.160 3.754 3.960 -0.076 0.000 0.232 1158 G HA3 -0.160 3.754 3.960 -0.076 0.000 0.232 1158 G C 0.027 174.635 174.900 -0.485 0.000 0.986 1158 G CA -0.058 44.900 45.100 -0.238 0.000 0.643 1158 G HN 0.757 nan 8.290 nan 0.000 0.522 1159 H N 0.006 119.048 119.070 -0.046 0.000 2.821 1159 H HA 0.414 4.920 4.556 -0.084 0.000 0.373 1159 H C -2.730 172.558 175.328 -0.066 0.000 1.165 1159 H CA -1.794 54.224 56.048 -0.052 0.000 1.154 1159 H CB 2.109 31.826 29.762 -0.076 0.000 1.765 1159 H HN 0.007 nan 8.280 nan 0.000 0.549 1160 P HA 0.033 nan 4.420 nan 0.000 0.267 1160 P C -0.588 176.695 177.300 -0.027 0.000 1.205 1160 P CA 0.092 63.194 63.100 0.003 0.000 0.765 1160 P CB 0.662 32.370 31.700 0.013 0.000 0.828 1161 V N 5.306 125.158 119.914 -0.103 0.000 2.789 1161 V HA 0.468 4.542 4.120 -0.076 0.000 0.311 1161 V C -0.059 175.830 176.094 -0.342 0.000 1.073 1161 V CA -0.543 61.639 62.300 -0.198 0.000 0.921 1161 V CB 2.221 33.883 31.823 -0.268 0.000 1.009 1161 V HN 0.354 nan 8.190 nan 0.000 0.426 1162 I N 3.851 124.196 120.570 -0.375 0.000 2.439 1162 I HA 0.450 4.574 4.170 -0.076 0.000 0.285 1162 I C -1.133 174.622 176.117 -0.604 0.000 1.021 1162 I CA -0.205 60.811 61.300 -0.472 0.000 1.091 1162 I CB 1.677 39.409 38.000 -0.446 0.000 1.242 1162 I HN 0.432 nan 8.210 nan 0.000 0.439 1163 F N 5.583 125.415 119.950 -0.196 0.000 2.411 1163 F HA 0.356 4.854 4.527 -0.048 0.000 0.355 1163 F C -0.339 175.368 175.800 -0.155 0.000 1.117 1163 F CA -0.515 57.420 58.000 -0.109 0.000 1.139 1163 F CB 0.610 39.614 39.000 0.007 0.000 1.120 1163 F HN 0.301 nan 8.300 nan 0.000 0.493 1164 Y N 4.485 124.962 120.300 0.294 0.000 2.434 1164 Y HA 0.479 5.024 4.550 -0.007 0.000 0.341 1164 Y C -0.050 175.914 175.900 0.107 0.000 0.965 1164 Y CA -0.714 57.520 58.100 0.223 0.000 1.205 1164 Y CB 0.601 39.154 38.460 0.155 0.000 1.121 1164 Y HN 0.360 nan 8.280 nan 0.000 0.507 1165 I N 4.887 125.600 120.570 0.239 0.000 2.330 1165 I HA 0.302 4.426 4.170 -0.076 0.000 0.289 1165 I C -0.632 175.490 176.117 0.008 0.000 1.001 1165 I CA -0.658 60.688 61.300 0.075 0.000 1.193 1165 I CB 0.990 39.043 38.000 0.088 0.000 1.345 1165 I HN 0.457 nan 8.210 nan 0.000 0.461 1166 M N 8.005 127.467 119.600 -0.230 0.000 2.101 1166 M HA 0.424 4.858 4.480 -0.076 0.000 0.340 1166 M C -0.415 175.814 176.300 -0.118 0.000 1.057 1166 M CA -0.564 54.564 55.300 -0.287 0.000 0.984 1166 M CB 1.352 33.395 32.600 -0.928 0.000 1.560 1166 M HN 0.421 nan 8.290 nan 0.000 0.435 1167 V N 0.385 120.299 119.914 -0.001 0.000 3.040 1167 V HA 0.701 4.775 4.120 -0.076 0.000 0.312 1167 V C 0.186 176.317 176.094 0.061 0.000 1.115 1167 V CA -0.741 61.583 62.300 0.041 0.000 0.998 1167 V CB 2.195 34.040 31.823 0.037 0.000 1.042 1167 V HN 0.847 nan 8.190 nan 0.000 0.433 1168 D N -0.139 120.300 120.400 0.065 0.000 2.333 1168 D HA 0.041 4.635 4.640 -0.076 0.000 0.208 1168 D C 0.017 176.346 176.300 0.049 0.000 0.984 1168 D CA 0.534 54.571 54.000 0.062 0.000 0.873 1168 D CB 0.571 41.408 40.800 0.062 0.000 0.935 1168 D HN 0.662 nan 8.370 nan 0.000 0.521 1169 D N 0.574 120.999 120.400 0.043 0.000 2.402 1169 D HA 0.117 4.711 4.640 -0.076 0.000 0.252 1169 D C 1.034 177.351 176.300 0.028 0.000 1.294 1169 D CA -0.538 53.481 54.000 0.032 0.000 0.948 1169 D CB 2.081 42.897 40.800 0.026 0.000 1.202 1169 D HN -0.249 nan 8.370 nan 0.000 0.561 1170 V N 2.648 122.579 119.914 0.028 0.000 2.626 1170 V HA -0.178 3.896 4.120 -0.076 0.000 0.252 1170 V C 2.459 178.565 176.094 0.020 0.000 1.067 1170 V CA 1.953 64.269 62.300 0.026 0.000 1.081 1170 V CB -0.584 31.252 31.823 0.022 0.000 0.686 1170 V HN 0.647 nan 8.190 nan 0.000 0.468 1171 S N 0.569 116.278 115.700 0.015 0.000 2.442 1171 S HA -0.192 4.232 4.470 -0.076 0.000 0.236 1171 S C 1.930 176.533 174.600 0.005 0.000 1.007 1171 S CA 1.077 59.283 58.200 0.010 0.000 0.965 1171 S CB -0.477 62.727 63.200 0.007 0.000 0.773 1171 S HN 0.582 nan 8.310 nan 0.000 0.504 1172 R N -0.083 120.420 120.500 0.005 0.000 2.313 1172 R HA 0.279 4.573 4.340 -0.076 0.000 0.199 1172 R C 0.106 176.402 176.300 -0.005 0.000 0.958 1172 R CA 0.097 56.196 56.100 -0.002 0.000 1.047 1172 R CB -0.087 30.212 30.300 -0.002 0.000 0.955 1172 R HN 0.361 nan 8.270 nan 0.000 0.481 1173 M N 2.874 122.475 119.600 0.002 0.000 2.350 1173 M HA 0.104 4.538 4.480 -0.076 0.000 0.338 1173 M C -2.126 174.159 176.300 -0.025 0.000 1.559 1173 M CA -2.592 52.706 55.300 -0.004 0.000 1.217 1173 M CB 0.689 33.303 32.600 0.023 0.000 1.808 1173 M HN -0.146 nan 8.290 nan 0.000 0.458 1174 P HA 0.112 nan 4.420 nan 0.000 0.269 1174 P C -0.657 176.577 177.300 -0.110 0.000 1.252 1174 P CA 0.015 63.078 63.100 -0.061 0.000 0.780 1174 P CB 0.146 31.811 31.700 -0.057 0.000 0.829 1175 L N 5.791 126.961 121.223 -0.089 0.000 2.466 1175 L HA 0.253 4.547 4.340 -0.076 0.000 0.248 1175 L C 1.407 178.199 176.870 -0.129 0.000 1.240 1175 L CA -0.888 53.872 54.840 -0.133 0.000 1.180 1175 L CB -0.576 41.486 42.059 0.004 0.000 1.413 1175 L HN 0.375 nan 8.230 nan 0.000 0.406 1176 I N -2.232 118.233 120.570 -0.175 0.000 3.427 1176 I HA 0.074 4.198 4.170 -0.076 0.000 0.272 1176 I C 0.473 176.526 176.117 -0.107 0.000 1.285 1176 I CA -0.242 60.981 61.300 -0.128 0.000 1.300 1176 I CB 0.548 38.463 38.000 -0.142 0.000 1.378 1176 I HN 0.424 nan 8.210 nan 0.000 0.634 1177 E N 2.749 122.911 120.200 -0.064 0.000 2.229 1177 E HA 0.428 4.732 4.350 -0.076 0.000 0.283 1177 E C -1.203 175.380 176.600 -0.028 0.000 1.030 1177 E CA -0.650 55.733 56.400 -0.029 0.000 0.836 1177 E CB 1.050 30.741 29.700 -0.015 0.000 1.068 1177 E HN 0.528 nan 8.360 nan 0.000 0.401 1178 L N 3.370 124.600 121.223 0.011 0.000 2.343 1178 L HA 0.513 4.807 4.340 -0.076 0.000 0.275 1178 L C 0.891 177.785 176.870 0.039 0.000 1.056 1178 L CA -0.706 54.160 54.840 0.043 0.000 0.804 1178 L CB 1.538 43.670 42.059 0.123 0.000 1.203 1178 L HN 0.661 nan 8.230 nan 0.000 0.440 1179 G N 1.232 110.053 108.800 0.035 0.000 2.532 1179 G HA2 0.492 4.406 3.960 -0.076 0.000 0.291 1179 G HA3 0.492 4.406 3.960 -0.076 0.000 0.291 1179 G C -2.647 172.265 174.900 0.020 0.000 1.349 1179 G CA -1.291 43.819 45.100 0.016 0.000 1.038 1179 G HN 0.351 nan 8.290 nan 0.000 0.518 1180 P HA 0.163 nan 4.420 nan 0.000 0.264 1180 P C 0.498 177.793 177.300 -0.008 0.000 1.183 1180 P CA 0.306 63.404 63.100 -0.003 0.000 0.763 1180 P CB 0.370 32.062 31.700 -0.012 0.000 0.807 1181 L N -1.139 120.077 121.223 -0.012 0.000 4.696 1181 L HA -0.276 4.018 4.340 -0.076 0.000 0.425 1181 L C 0.251 177.100 176.870 -0.035 0.000 1.115 1181 L CA 0.733 55.559 54.840 -0.023 0.000 0.996 1181 L CB -1.186 40.854 42.059 -0.033 0.000 2.077 1181 L HN 0.492 nan 8.230 nan 0.000 0.792 1182 R N 0.205 120.700 120.500 -0.009 0.000 2.637 1182 R HA 0.811 5.105 4.340 -0.076 0.000 0.291 1182 R C -0.126 176.199 176.300 0.043 0.000 0.963 1182 R CA 0.288 56.380 56.100 -0.014 0.000 0.901 1182 R CB 2.121 32.495 30.300 0.124 0.000 1.160 1182 R HN 0.241 nan 8.270 nan 0.000 0.457 1183 S N 1.216 116.933 115.700 0.029 0.000 2.588 1183 S HA 0.755 5.179 4.470 -0.076 0.000 0.269 1183 S C -1.131 173.596 174.600 0.212 0.000 1.157 1183 S CA -1.033 57.239 58.200 0.121 0.000 0.824 1183 S CB 1.072 64.268 63.200 -0.007 0.000 1.126 1183 S HN 0.530 nan 8.310 nan 0.000 0.464 1184 F N -0.735 119.205 119.950 -0.017 0.000 2.706 1184 F HA 0.907 5.388 4.527 -0.077 0.000 0.328 1184 F C -1.000 174.746 175.800 -0.090 0.000 1.123 1184 F CA -1.076 56.911 58.000 -0.020 0.000 0.978 1184 F CB 1.619 40.674 39.000 0.092 0.000 1.404 1184 F HN 0.807 nan 8.300 nan 0.000 0.497 1185 K N 1.760 122.140 120.400 -0.033 0.000 2.588 1185 K HA 0.601 4.875 4.320 -0.076 0.000 0.250 1185 K C -2.300 174.231 176.600 -0.114 0.000 0.972 1185 K CA -0.635 55.509 56.287 -0.238 0.000 0.821 1185 K CB 2.579 35.026 32.500 -0.089 0.000 1.249 1185 K HN 0.670 nan 8.250 nan 0.000 0.442 1186 V N 5.035 124.775 119.914 -0.289 0.000 2.459 1186 V HA 0.572 4.646 4.120 -0.076 0.000 0.295 1186 V C -0.935 174.898 176.094 -0.435 0.000 1.029 1186 V CA -0.573 61.639 62.300 -0.148 0.000 0.874 1186 V CB 1.065 32.914 31.823 0.044 0.000 0.985 1186 V HN 0.556 nan 8.190 nan 0.000 0.438 1187 F N 2.942 122.890 119.950 -0.003 0.000 2.532 1187 F HA 0.520 4.998 4.527 -0.082 0.000 0.321 1187 F C 0.171 175.971 175.800 -0.001 0.000 1.089 1187 F CA -0.814 57.190 58.000 0.006 0.000 0.926 1187 F CB 1.847 40.855 39.000 0.013 0.000 1.168 1187 F HN 0.269 nan 8.300 nan 0.000 0.459 1188 K N 5.323 125.840 120.400 0.194 0.000 2.248 1188 K HA 0.587 4.862 4.320 -0.076 0.000 0.281 1188 K C -0.770 175.911 176.600 0.136 0.000 1.054 1188 K CA -0.273 56.087 56.287 0.123 0.000 0.903 1188 K CB 0.544 33.093 32.500 0.082 0.000 1.077 1188 K HN 0.787 nan 8.250 nan 0.000 0.474 1189 I N -0.133 120.504 120.570 0.111 0.000 2.982 1189 I HA 0.478 4.602 4.170 -0.076 0.000 0.312 1189 I C -0.561 175.608 176.117 0.087 0.000 1.041 1189 I CA -1.263 60.103 61.300 0.110 0.000 1.053 1189 I CB 1.516 39.596 38.000 0.133 0.000 1.248 1189 I HN 0.421 nan 8.210 nan 0.000 0.471 1190 K N 3.163 123.609 120.400 0.076 0.000 2.276 1190 K HA 0.419 4.693 4.320 -0.076 0.000 0.283 1190 K C -2.351 174.286 176.600 0.060 0.000 1.044 1190 K CA -1.624 54.699 56.287 0.058 0.000 0.944 1190 K CB 0.736 33.263 32.500 0.045 0.000 1.012 1190 K HN 0.484 nan 8.250 nan 0.000 0.472 1191 P HA 0.130 nan 4.420 nan 0.000 0.287 1191 P C -0.877 176.446 177.300 0.038 0.000 1.281 1191 P CA -0.298 62.832 63.100 0.050 0.000 0.781 1191 P CB 1.144 32.874 31.700 0.049 0.000 0.903 1192 E N 2.176 122.395 120.200 0.031 0.000 2.374 1192 E HA 0.059 4.363 4.350 -0.076 0.000 0.260 1192 E C 0.969 177.582 176.600 0.022 0.000 1.101 1192 E CA -0.295 56.117 56.400 0.019 0.000 0.907 1192 E CB 1.653 31.354 29.700 0.002 0.000 1.014 1192 E HN 0.464 nan 8.360 nan 0.000 0.427 1193 K N 1.856 122.266 120.400 0.017 0.000 1.995 1193 K HA -0.020 4.254 4.320 -0.076 0.000 0.207 1193 K C 0.309 176.929 176.600 0.034 0.000 1.041 1193 K CA 0.754 57.057 56.287 0.027 0.000 0.942 1193 K CB 0.176 32.688 32.500 0.020 0.000 0.731 1193 K HN 0.262 nan 8.250 nan 0.000 0.439 1194 R N 1.411 121.908 120.500 -0.004 0.000 2.491 1194 R HA -0.038 4.256 4.340 -0.076 0.000 0.283 1194 R C 1.229 177.506 176.300 -0.038 0.000 1.072 1194 R CA -0.072 56.006 56.100 -0.037 0.000 1.048 1194 R CB 0.295 30.514 30.300 -0.135 0.000 0.983 1194 R HN 0.563 nan 8.270 nan 0.000 0.450 1195 W N 3.737 125.009 121.300 -0.047 0.000 2.374 1195 W HA -0.223 4.391 4.660 -0.078 0.000 0.288 1195 W C 0.444 176.881 176.519 -0.137 0.000 1.218 1195 W CA 0.728 58.022 57.345 -0.086 0.000 1.245 1195 W CB -0.218 29.217 29.460 -0.041 0.000 1.126 1195 W HN 0.566 nan 8.180 nan 0.000 0.545 1196 Q N 1.128 120.250 119.800 -1.130 0.000 2.124 1196 Q HA -0.168 4.127 4.340 -0.076 0.000 0.202 1196 Q C 1.819 177.509 176.000 -0.516 0.000 0.977 1196 Q CA 2.280 57.324 55.803 -1.266 0.000 0.850 1196 Q CB -0.530 27.402 28.738 -1.343 0.000 0.901 1196 Q HN 0.163 nan 8.270 nan 0.000 0.429 1197 D N -0.109 120.108 120.400 -0.305 0.000 2.183 1197 D HA -0.059 4.535 4.640 -0.076 0.000 0.203 1197 D C 1.704 177.947 176.300 -0.096 0.000 0.969 1197 D CA 0.700 54.616 54.000 -0.139 0.000 0.842 1197 D CB 0.052 40.802 40.800 -0.083 0.000 0.957 1197 D HN 0.268 nan 8.370 nan 0.000 0.484 1198 I N 0.236 120.751 120.570 -0.091 0.000 2.179 1198 I HA -0.251 3.873 4.170 -0.076 0.000 0.242 1198 I C 2.514 178.551 176.117 -0.133 0.000 1.088 1198 I CA 0.802 62.057 61.300 -0.076 0.000 1.357 1198 I CB -0.221 37.752 38.000 -0.046 0.000 1.051 1198 I HN -0.065 nan 8.210 nan 0.000 0.409 1199 S N 0.677 116.319 115.700 -0.096 0.000 2.356 1199 S HA -0.160 4.264 4.470 -0.076 0.000 0.223 1199 S C 2.124 176.662 174.600 -0.104 0.000 1.032 1199 S CA 1.384 59.532 58.200 -0.086 0.000 1.005 1199 S CB -0.114 63.111 63.200 0.041 0.000 0.867 1199 S HN 0.276 nan 8.310 nan 0.000 0.449 1200 M N -0.170 119.391 119.600 -0.065 0.000 2.254 1200 M HA 0.011 4.445 4.480 -0.076 0.000 0.265 1200 M C 2.177 178.496 176.300 0.032 0.000 1.066 1200 M CA 1.088 56.397 55.300 0.015 0.000 1.123 1200 M CB -0.327 32.304 32.600 0.052 0.000 1.388 1200 M HN 0.342 nan 8.290 nan 0.000 0.425 1201 M N 0.360 119.942 119.600 -0.031 0.000 2.460 1201 M HA -0.081 4.353 4.480 -0.076 0.000 0.263 1201 M C 1.836 177.971 176.300 -0.276 0.000 1.071 1201 M CA 1.545 56.790 55.300 -0.092 0.000 1.096 1201 M CB -0.350 32.213 32.600 -0.063 0.000 1.408 1201 M HN 0.053 nan 8.290 nan 0.000 0.463 1202 R N -1.109 119.152 120.500 -0.399 0.000 2.105 1202 R HA -0.145 4.149 4.340 -0.076 0.000 0.239 1202 R C 1.912 178.036 176.300 -0.293 0.000 1.135 1202 R CA 1.473 57.159 56.100 -0.690 0.000 0.967 1202 R CB -0.425 29.304 30.300 -0.952 0.000 0.861 1202 R HN 0.373 nan 8.270 nan 0.000 0.442 1203 M N 0.811 120.295 119.600 -0.192 0.000 2.117 1203 M HA -0.168 4.266 4.480 -0.076 0.000 0.262 1203 M C 2.174 178.304 176.300 -0.282 0.000 1.065 1203 M CA 1.598 56.822 55.300 -0.126 0.000 1.114 1203 M CB -0.752 31.841 32.600 -0.011 0.000 1.361 1203 M HN 0.081 nan 8.290 nan 0.000 0.408 1204 K N -0.121 119.881 120.400 -0.664 0.000 2.001 1204 K HA -0.125 4.149 4.320 -0.076 0.000 0.208 1204 K C 1.863 178.234 176.600 -0.381 0.000 1.048 1204 K CA 1.933 57.686 56.287 -0.891 0.000 0.932 1204 K CB -0.053 31.540 32.500 -1.512 0.000 0.715 1204 K HN 0.217 nan 8.250 nan 0.000 0.437 1205 T N 1.774 116.199 114.554 -0.214 0.000 2.746 1205 T HA -0.111 4.194 4.350 -0.076 0.000 0.267 1205 T C 1.880 176.652 174.700 0.119 0.000 1.039 1205 T CA 1.551 63.671 62.100 0.033 0.000 1.142 1205 T CB -0.176 68.860 68.868 0.280 0.000 0.866 1205 T HN 0.203 nan 8.240 nan 0.000 0.444 1206 I N 1.176 121.813 120.570 0.112 0.000 2.179 1206 I HA -0.132 3.992 4.170 -0.076 0.000 0.242 1206 I C 2.927 179.012 176.117 -0.053 0.000 1.088 1206 I CA 1.368 62.706 61.300 0.064 0.000 1.357 1206 I CB -0.834 37.220 38.000 0.090 0.000 1.051 1206 I HN 0.321 nan 8.210 nan 0.000 0.409 1207 G N 0.460 109.204 108.800 -0.093 0.000 2.446 1207 G HA2 -0.249 3.665 3.960 -0.076 0.000 0.217 1207 G HA3 -0.249 3.665 3.960 -0.076 0.000 0.217 1207 G C 1.487 176.288 174.900 -0.165 0.000 1.168 1207 G CA 0.742 45.765 45.100 -0.130 0.000 0.771 1207 G HN 0.432 nan 8.290 nan 0.000 0.551 1208 E N -0.234 119.857 120.200 -0.183 0.000 2.085 1208 E HA -0.161 4.143 4.350 -0.076 0.000 0.194 1208 E C 2.271 178.666 176.600 -0.343 0.000 0.994 1208 E CA 1.023 57.274 56.400 -0.248 0.000 0.801 1208 E CB -0.253 29.280 29.700 -0.279 0.000 0.743 1208 E HN 0.511 nan 8.360 nan 0.000 0.453 1209 H N 0.127 119.006 119.070 -0.319 0.000 2.428 1209 H HA -0.016 4.494 4.556 -0.076 0.000 0.296 1209 H C 2.256 177.168 175.328 -0.693 0.000 1.062 1209 H CA 0.868 56.602 56.048 -0.523 0.000 1.350 1209 H CB 0.090 29.507 29.762 -0.574 0.000 1.403 1209 H HN 0.190 nan 8.280 nan 0.000 0.533 1210 I N 0.033 120.381 120.570 -0.370 0.000 2.202 1210 I HA -0.230 3.894 4.170 -0.076 0.000 0.242 1210 I C 2.491 178.400 176.117 -0.346 0.000 1.091 1210 I CA 0.724 61.803 61.300 -0.368 0.000 1.368 1210 I CB -0.177 37.679 38.000 -0.241 0.000 1.058 1210 I HN -0.001 nan 8.210 nan 0.000 0.410 1211 V N 1.094 120.847 119.914 -0.268 0.000 2.261 1211 V HA -0.310 3.764 4.120 -0.076 0.000 0.246 1211 V C 2.718 178.690 176.094 -0.203 0.000 1.047 1211 V CA 2.117 64.286 62.300 -0.218 0.000 1.015 1211 V CB -1.033 30.697 31.823 -0.155 0.000 0.642 1211 V HN 0.498 nan 8.190 nan 0.000 0.446 1212 A N 0.156 122.861 122.820 -0.192 0.000 1.902 1212 A HA -0.226 4.048 4.320 -0.076 0.000 0.217 1212 A C 1.941 179.565 177.584 0.067 0.000 1.181 1212 A CA 2.723 54.722 52.037 -0.064 0.000 0.623 1212 A CB -0.428 18.533 19.000 -0.064 0.000 0.818 1212 A HN 0.985 nan 8.150 nan 0.000 0.443 1213 H N -5.203 113.826 119.070 -0.068 0.000 3.049 1213 H HA 0.311 4.820 4.556 -0.079 0.000 0.212 1213 H C 1.429 176.735 175.328 -0.036 0.000 0.894 1213 H CA 0.164 56.230 56.048 0.029 0.000 0.968 1213 H CB -0.438 29.397 29.762 0.122 0.000 1.271 1213 H HN 0.191 nan 8.280 nan 0.000 0.531 1214 I N 2.420 122.637 120.570 -0.589 0.000 2.264 1214 I HA -0.296 3.829 4.170 -0.076 0.000 0.248 1214 I C 2.595 178.596 176.117 -0.194 0.000 1.111 1214 I CA 2.155 63.251 61.300 -0.341 0.000 1.382 1214 I CB -0.431 37.218 38.000 -0.585 0.000 1.060 1214 I HN 0.508 nan 8.210 nan 0.000 0.418 1215 Q N 0.485 120.095 119.800 -0.318 0.000 2.234 1215 Q HA -0.239 4.055 4.340 -0.076 0.000 0.206 1215 Q C 1.579 177.445 176.000 -0.224 0.000 0.980 1215 Q CA 1.669 57.285 55.803 -0.311 0.000 0.869 1215 Q CB -0.425 28.057 28.738 -0.428 0.000 0.912 1215 Q HN 0.590 nan 8.270 nan 0.000 0.436 1216 H N 0.118 119.184 119.070 -0.007 0.000 2.553 1216 H HA 0.179 4.686 4.556 -0.083 0.000 0.265 1216 H C 0.683 176.040 175.328 0.049 0.000 0.964 1216 H CA 0.901 56.961 56.048 0.019 0.000 1.156 1216 H CB 0.546 30.331 29.762 0.037 0.000 1.411 1216 H HN 0.603 nan 8.280 nan 0.000 0.558 1217 E N 0.520 120.823 120.200 0.172 0.000 2.413 1217 E HA 0.121 4.425 4.350 -0.076 0.000 0.203 1217 E C 0.542 177.222 176.600 0.133 0.000 0.957 1217 E CA 0.103 56.611 56.400 0.180 0.000 0.950 1217 E CB 1.322 31.198 29.700 0.292 0.000 0.957 1217 E HN 0.129 nan 8.360 nan 0.000 0.497 1218 V N -2.120 117.849 119.914 0.091 0.000 3.102 1218 V HA 0.356 4.430 4.120 -0.076 0.000 0.312 1218 V C -0.360 175.704 176.094 -0.050 0.000 1.135 1218 V CA -0.857 61.478 62.300 0.057 0.000 1.022 1218 V CB 2.292 34.190 31.823 0.126 0.000 1.056 1218 V HN -0.167 nan 8.190 nan 0.000 0.436 1219 D N 0.184 120.522 120.400 -0.103 0.000 2.338 1219 D HA 0.266 4.860 4.640 -0.076 0.000 0.208 1219 D C -0.391 175.482 176.300 -0.712 0.000 0.997 1219 D CA 1.391 55.175 54.000 -0.360 0.000 0.880 1219 D CB 0.739 41.358 40.800 -0.303 0.000 0.980 1219 D HN 0.503 nan 8.370 nan 0.000 0.509 1220 F N 0.187 120.102 119.950 -0.058 0.000 2.613 1220 F HA 0.440 4.918 4.527 -0.083 0.000 0.310 1220 F C -0.723 175.052 175.800 -0.041 0.000 1.085 1220 F CA -1.200 56.742 58.000 -0.096 0.000 0.945 1220 F CB 2.314 41.218 39.000 -0.159 0.000 1.298 1220 F HN -0.323 nan 8.300 nan 0.000 0.455 1221 L N 1.960 123.240 121.223 0.094 0.000 2.422 1221 L HA 0.738 5.032 4.340 -0.076 0.000 0.264 1221 L C -2.153 174.677 176.870 -0.067 0.000 0.984 1221 L CA -0.497 54.398 54.840 0.092 0.000 0.819 1221 L CB 1.810 43.891 42.059 0.036 0.000 1.330 1221 L HN 0.462 nan 8.230 nan 0.000 0.410 1222 F N 2.825 122.872 119.950 0.162 0.000 2.520 1222 F HA 0.594 5.071 4.527 -0.084 0.000 0.322 1222 F C -0.412 175.324 175.800 -0.107 0.000 1.103 1222 F CA -0.333 57.702 58.000 0.058 0.000 0.926 1222 F CB 1.891 41.008 39.000 0.196 0.000 1.154 1222 F HN 0.444 nan 8.300 nan 0.000 0.453 1223 C N 5.380 124.558 119.300 -0.205 0.000 2.281 1223 C HA 0.737 5.151 4.460 -0.076 0.000 0.323 1223 C C -0.097 174.695 174.990 -0.329 0.000 1.270 1223 C CA -0.957 57.819 59.018 -0.403 0.000 1.559 1223 C CB -0.462 26.695 27.740 -0.971 0.000 2.239 1223 C HN 0.687 nan 8.230 nan 0.000 0.488 1224 M N 1.639 121.165 119.600 -0.122 0.000 2.644 1224 M HA 0.391 4.825 4.480 -0.076 0.000 0.304 1224 M C -0.908 175.294 176.300 -0.163 0.000 1.215 1224 M CA -0.490 54.745 55.300 -0.109 0.000 0.871 1224 M CB 1.622 34.221 32.600 -0.000 0.000 1.740 1224 M HN 0.484 nan 8.290 nan 0.000 0.464 1225 D N 0.772 121.061 120.400 -0.185 0.000 2.362 1225 D HA 0.097 4.691 4.640 -0.076 0.000 0.242 1225 D C 0.454 176.546 176.300 -0.347 0.000 1.132 1225 D CA -0.027 53.847 54.000 -0.209 0.000 0.907 1225 D CB 1.705 42.369 40.800 -0.227 0.000 1.195 1225 D HN 0.343 nan 8.370 nan 0.000 0.429 1226 V N 1.317 121.035 119.914 -0.326 0.000 3.052 1226 V HA -0.064 4.010 4.120 -0.076 0.000 0.254 1226 V C 0.426 176.387 176.094 -0.221 0.000 1.100 1226 V CA 0.755 62.775 62.300 -0.466 0.000 1.112 1226 V CB -0.183 31.523 31.823 -0.195 0.000 0.738 1226 V HN 0.588 nan 8.190 nan 0.000 0.469 1227 D N 2.184 122.367 120.400 -0.362 0.000 2.934 1227 D HA 0.082 4.676 4.640 -0.076 0.000 0.237 1227 D C 0.137 176.269 176.300 -0.279 0.000 1.158 1227 D CA -0.102 53.468 54.000 -0.717 0.000 0.971 1227 D CB -0.195 39.898 40.800 -1.179 0.000 1.123 1227 D HN 0.791 nan 8.370 nan 0.000 0.467 1228 Q N -1.634 118.161 119.800 -0.008 0.000 2.575 1228 Q HA 0.592 4.886 4.340 -0.076 0.000 0.290 1228 Q C -1.859 174.242 176.000 0.169 0.000 0.963 1228 Q CA -1.169 54.686 55.803 0.086 0.000 0.783 1228 Q CB 1.583 30.330 28.738 0.015 0.000 1.467 1228 Q HN -0.032 nan 8.270 nan 0.000 0.402 1229 V N 1.177 121.149 119.914 0.097 0.000 2.709 1229 V HA 0.475 4.549 4.120 -0.076 0.000 0.308 1229 V C -0.976 175.130 176.094 0.018 0.000 1.062 1229 V CA -0.738 61.617 62.300 0.092 0.000 0.901 1229 V CB 1.583 33.505 31.823 0.166 0.000 1.003 1229 V HN 0.697 nan 8.190 nan 0.000 0.425 1230 F N 3.025 122.968 119.950 -0.011 0.000 2.504 1230 F HA 0.273 4.758 4.527 -0.069 0.000 0.369 1230 F C 1.497 177.309 175.800 0.020 0.000 1.082 1230 F CA 0.254 58.271 58.000 0.028 0.000 1.216 1230 F CB 0.882 39.928 39.000 0.075 0.000 1.108 1230 F HN 0.495 nan 8.300 nan 0.000 0.554 1231 Q N 0.921 120.751 119.800 0.051 0.000 2.378 1231 Q HA 0.147 4.441 4.340 -0.076 0.000 0.229 1231 Q C -0.012 175.753 176.000 -0.391 0.000 0.882 1231 Q CA 0.578 56.345 55.803 -0.060 0.000 0.936 1231 Q CB 0.746 29.523 28.738 0.064 0.000 1.092 1231 Q HN 0.663 nan 8.270 nan 0.000 0.535 1232 D N -0.628 119.463 120.400 -0.516 0.000 2.768 1232 D HA 0.128 4.722 4.640 -0.076 0.000 0.327 1232 D C -0.917 175.276 176.300 -0.179 0.000 1.302 1232 D CA -0.513 53.188 54.000 -0.499 0.000 0.897 1232 D CB 1.339 42.047 40.800 -0.152 0.000 1.420 1232 D HN -0.328 nan 8.370 nan 0.000 0.494 1233 K N 0.963 121.408 120.400 0.076 0.000 2.466 1233 K HA 0.055 4.329 4.320 -0.076 0.000 0.278 1233 K C -0.274 176.470 176.600 0.240 0.000 1.048 1233 K CA 0.408 56.828 56.287 0.223 0.000 1.088 1233 K CB -0.359 32.255 32.500 0.190 0.000 0.884 1233 K HN 0.314 nan 8.250 nan 0.000 0.478 1234 F N 2.523 122.589 119.950 0.194 0.000 2.451 1234 F HA 0.339 4.822 4.527 -0.073 0.000 0.367 1234 F C 0.546 176.370 175.800 0.040 0.000 1.100 1234 F CA -0.483 57.669 58.000 0.253 0.000 1.171 1234 F CB 0.694 40.020 39.000 0.543 0.000 1.405 1234 F HN 0.569 nan 8.300 nan 0.000 0.482 1235 G N 1.551 110.392 108.800 0.068 0.000 2.857 1235 G HA2 0.312 4.227 3.960 -0.076 0.000 0.217 1235 G HA3 0.312 4.227 3.960 -0.076 0.000 0.217 1235 G C 0.820 175.601 174.900 -0.197 0.000 1.357 1235 G CA -0.095 44.968 45.100 -0.061 0.000 1.033 1235 G HN 0.540 nan 8.290 nan 0.000 0.571 1236 V N -0.546 119.234 119.914 -0.223 0.000 2.982 1236 V HA -0.077 3.997 4.120 -0.076 0.000 0.265 1236 V C 2.135 178.036 176.094 -0.321 0.000 1.122 1236 V CA 2.307 64.392 62.300 -0.359 0.000 1.143 1236 V CB -0.720 30.905 31.823 -0.330 0.000 0.726 1236 V HN 0.720 nan 8.190 nan 0.000 0.507 1237 E N 2.554 122.577 120.200 -0.295 0.000 2.478 1237 E HA -0.170 4.134 4.350 -0.076 0.000 0.198 1237 E C 1.751 178.088 176.600 -0.438 0.000 1.046 1237 E CA 1.497 57.679 56.400 -0.363 0.000 0.870 1237 E CB -0.747 28.701 29.700 -0.420 0.000 0.818 1237 E HN 0.822 nan 8.360 nan 0.000 0.527 1238 T N -1.310 112.990 114.554 -0.423 0.000 3.086 1238 T HA 0.269 4.573 4.350 -0.076 0.000 0.250 1238 T C 1.051 175.660 174.700 -0.153 0.000 1.074 1238 T CA -0.404 61.481 62.100 -0.357 0.000 0.988 1238 T CB -0.231 68.385 68.868 -0.420 0.000 0.988 1238 T HN 0.003 nan 8.240 nan 0.000 0.530 1239 L N 1.427 122.423 121.223 -0.377 0.000 2.436 1239 L HA 0.673 4.967 4.340 -0.076 0.000 0.265 1239 L C 0.936 177.481 176.870 -0.541 0.000 1.168 1239 L CA -0.095 54.354 54.840 -0.653 0.000 0.815 1239 L CB 0.653 41.946 42.059 -1.277 0.000 1.109 1239 L HN 0.476 nan 8.230 nan 0.000 0.462 1240 G N 0.569 109.076 108.800 -0.489 0.000 2.356 1240 G HA2 0.118 4.033 3.960 -0.076 0.000 0.294 1240 G HA3 0.118 4.033 3.960 -0.076 0.000 0.294 1240 G C -0.125 174.874 174.900 0.165 0.000 1.423 1240 G CA -0.489 44.548 45.100 -0.104 0.000 0.806 1240 G HN 0.441 nan 8.290 nan 0.000 0.527 1241 E N -0.391 119.928 120.200 0.198 0.000 2.058 1241 E HA -0.067 4.238 4.350 -0.076 0.000 0.194 1241 E C 1.318 178.004 176.600 0.143 0.000 0.997 1241 E CA 1.959 58.474 56.400 0.192 0.000 0.801 1241 E CB -0.142 29.644 29.700 0.143 0.000 0.746 1241 E HN 0.714 nan 8.360 nan 0.000 0.450 1242 S N -0.360 115.410 115.700 0.115 0.000 2.677 1242 S HA 0.523 4.947 4.470 -0.076 0.000 0.283 1242 S C -0.580 174.047 174.600 0.045 0.000 1.159 1242 S CA -0.972 57.309 58.200 0.134 0.000 1.001 1242 S CB 2.039 65.378 63.200 0.231 0.000 1.032 1242 S HN -0.102 nan 8.310 nan 0.000 0.487 1243 V N 2.141 122.076 119.914 0.035 0.000 2.448 1243 V HA 0.891 4.965 4.120 -0.076 0.000 0.295 1243 V C 0.313 176.410 176.094 0.005 0.000 1.025 1243 V CA -0.475 61.817 62.300 -0.013 0.000 0.859 1243 V CB 1.204 33.045 31.823 0.030 0.000 0.988 1243 V HN 1.223 nan 8.190 nan 0.000 0.431 1244 A N 3.665 126.340 122.820 -0.242 0.000 2.354 1244 A HA 0.890 5.164 4.320 -0.076 0.000 0.321 1244 A C -0.728 176.875 177.584 0.031 0.000 1.125 1244 A CA -0.715 51.142 52.037 -0.300 0.000 0.799 1244 A CB 1.834 20.046 19.000 -1.313 0.000 1.293 1244 A HN 0.758 nan 8.150 nan 0.000 0.452 1245 Q N 1.047 120.988 119.800 0.235 0.000 2.333 1245 Q HA 0.575 4.869 4.340 -0.076 0.000 0.265 1245 Q C -1.529 174.691 176.000 0.367 0.000 0.989 1245 Q CA -0.154 55.816 55.803 0.278 0.000 0.842 1245 Q CB 0.932 29.864 28.738 0.322 0.000 1.262 1245 Q HN 0.631 nan 8.270 nan 0.000 0.451 1246 L N 3.690 125.051 121.223 0.230 0.000 2.418 1246 L HA 0.178 4.472 4.340 -0.076 0.000 0.274 1246 L C 0.599 177.669 176.870 0.333 0.000 1.135 1246 L CA -0.169 54.802 54.840 0.219 0.000 0.870 1246 L CB 0.728 42.829 42.059 0.070 0.000 1.154 1246 L HN 0.589 nan 8.230 nan 0.000 0.462 1247 Q N 2.226 122.268 119.800 0.403 0.000 2.313 1247 Q HA 0.068 4.362 4.340 -0.076 0.000 0.266 1247 Q C 0.818 177.107 176.000 0.482 0.000 0.989 1247 Q CA 0.279 56.361 55.803 0.464 0.000 0.890 1247 Q CB 1.712 30.758 28.738 0.512 0.000 1.200 1247 Q HN 0.827 nan 8.270 nan 0.000 0.396 1248 A N 4.312 127.382 122.820 0.416 0.000 1.948 1248 A HA -0.201 4.073 4.320 -0.076 0.000 0.220 1248 A C 1.265 178.882 177.584 0.054 0.000 1.177 1248 A CA 1.473 53.612 52.037 0.170 0.000 0.636 1248 A CB -0.584 18.174 19.000 -0.403 0.000 0.815 1248 A HN 0.898 nan 8.150 nan 0.000 0.449 1249 W N -2.519 118.744 121.300 -0.062 0.000 2.658 1249 W HA 0.129 4.742 4.660 -0.078 0.000 0.263 1249 W C 1.250 177.471 176.519 -0.497 0.000 1.274 1249 W CA 0.162 57.278 57.345 -0.382 0.000 1.343 1249 W CB -0.330 28.727 29.460 -0.673 0.000 1.106 1249 W HN 0.520 nan 8.180 nan 0.000 0.615 1250 W N -1.414 120.086 121.300 0.334 0.000 2.870 1250 W HA 0.162 4.776 4.660 -0.078 0.000 0.358 1250 W C 1.701 178.413 176.519 0.322 0.000 1.043 1250 W CA -0.637 56.868 57.345 0.267 0.000 1.692 1250 W CB -1.206 28.340 29.460 0.142 0.000 1.100 1250 W HN -0.006 nan 8.180 nan 0.000 0.557 1251 Y N 0.788 121.346 120.300 0.432 0.000 2.384 1251 Y HA -0.081 4.424 4.550 -0.075 0.000 0.289 1251 Y C 1.416 177.590 175.900 0.456 0.000 1.152 1251 Y CA 1.433 59.795 58.100 0.437 0.000 1.258 1251 Y CB -0.501 38.185 38.460 0.376 0.000 0.979 1251 Y HN -0.103 nan 8.280 nan 0.000 0.549 1252 K N 0.583 120.847 120.400 -0.226 0.000 2.358 1252 K HA 0.457 4.731 4.320 -0.076 0.000 0.200 1252 K C 0.491 177.139 176.600 0.080 0.000 1.030 1252 K CA 0.201 56.396 56.287 -0.152 0.000 1.097 1252 K CB 0.608 32.859 32.500 -0.415 0.000 0.862 1252 K HN 0.289 nan 8.250 nan 0.000 0.534 1253 A N 1.672 124.659 122.820 0.279 0.000 2.304 1253 A HA 0.071 4.346 4.320 -0.076 0.000 0.271 1253 A C -0.256 177.408 177.584 0.133 0.000 1.091 1253 A CA -0.403 51.820 52.037 0.311 0.000 0.812 1253 A CB 0.334 19.721 19.000 0.645 0.000 1.056 1253 A HN 0.178 nan 8.150 nan 0.000 0.489 1254 D N 1.115 121.492 120.400 -0.039 0.000 2.350 1254 D HA 0.159 4.753 4.640 -0.076 0.000 0.249 1254 D C -1.644 174.255 176.300 -0.669 0.000 1.119 1254 D CA -1.422 52.444 54.000 -0.223 0.000 0.886 1254 D CB 1.185 41.916 40.800 -0.114 0.000 1.195 1254 D HN 0.092 nan 8.370 nan 0.000 0.437 1255 P HA -0.151 nan 4.420 nan 0.000 0.217 1255 P C 0.768 177.634 177.300 -0.724 0.000 1.151 1255 P CA 1.024 63.318 63.100 -1.343 0.000 0.849 1255 P CB 0.237 31.647 31.700 -0.483 0.000 0.787 1256 N N -0.959 117.572 118.700 -0.282 0.000 2.520 1256 N HA -0.097 4.597 4.740 -0.076 0.000 0.185 1256 N C 0.891 176.417 175.510 0.026 0.000 1.068 1256 N CA 0.970 54.040 53.050 0.034 0.000 0.911 1256 N CB -0.533 37.990 38.487 0.060 0.000 0.961 1256 N HN 0.253 nan 8.380 nan 0.000 0.446 1257 D N -0.483 119.827 120.400 -0.150 0.000 2.354 1257 D HA 0.041 4.635 4.640 -0.076 0.000 0.209 1257 D C 0.370 176.520 176.300 -0.250 0.000 1.015 1257 D CA -0.070 53.905 54.000 -0.041 0.000 0.867 1257 D CB 0.155 41.036 40.800 0.134 0.000 0.933 1257 D HN 0.209 nan 8.370 nan 0.000 0.520 1258 F N 1.746 121.387 119.950 -0.516 0.000 2.602 1258 F HA -0.050 4.432 4.527 -0.075 0.000 0.367 1258 F C 1.814 177.059 175.800 -0.926 0.000 1.126 1258 F CA -0.069 57.316 58.000 -1.026 0.000 1.321 1258 F CB 0.584 38.902 39.000 -1.136 0.000 1.094 1258 F HN -0.177 nan 8.300 nan 0.000 0.594 1259 T N 0.527 114.478 114.554 -1.005 0.000 3.418 1259 T HA 0.168 4.472 4.350 -0.076 0.000 0.239 1259 T C -0.071 174.688 174.700 0.099 0.000 0.905 1259 T CA -0.336 61.527 62.100 -0.395 0.000 0.929 1259 T CB -1.190 67.489 68.868 -0.315 0.000 1.121 1259 T HN 0.349 nan 8.240 nan 0.000 0.608 1260 Y N 1.016 121.380 120.300 0.107 0.000 2.459 1260 Y HA 0.205 4.709 4.550 -0.077 0.000 0.349 1260 Y C 1.160 177.078 175.900 0.030 0.000 1.266 1260 Y CA -1.227 56.961 58.100 0.146 0.000 1.483 1260 Y CB 0.446 38.931 38.460 0.042 0.000 1.362 1260 Y HN 0.217 nan 8.280 nan 0.000 0.628 1261 E N 1.579 121.880 120.200 0.168 0.000 2.299 1261 E HA 0.026 4.330 4.350 -0.076 0.000 0.272 1261 E C -0.198 176.448 176.600 0.076 0.000 1.043 1261 E CA -0.097 56.326 56.400 0.038 0.000 0.895 1261 E CB 0.489 30.160 29.700 -0.049 0.000 1.011 1261 E HN 0.366 nan 8.360 nan 0.000 0.432 1262 R N 4.083 124.614 120.500 0.053 0.000 2.468 1262 R HA 0.212 4.506 4.340 -0.076 0.000 0.280 1262 R C -0.155 176.228 176.300 0.138 0.000 0.963 1262 R CA -0.082 56.069 56.100 0.085 0.000 1.083 1262 R CB 0.057 30.307 30.300 -0.083 0.000 1.200 1262 R HN 0.380 nan 8.270 nan 0.000 0.541 1263 R N 1.515 122.029 120.500 0.023 0.000 2.255 1263 R HA 0.136 4.431 4.340 -0.076 0.000 0.326 1263 R C 1.215 177.229 176.300 -0.476 0.000 0.986 1263 R CA -0.212 55.777 56.100 -0.186 0.000 0.847 1263 R CB 1.215 31.438 30.300 -0.127 0.000 1.111 1263 R HN 0.074 nan 8.270 nan 0.000 0.452 1264 K N 1.530 121.375 120.400 -0.925 0.000 2.360 1264 K HA -0.156 4.118 4.320 -0.076 0.000 0.201 1264 K C 0.325 176.676 176.600 -0.415 0.000 1.046 1264 K CA 1.390 56.998 56.287 -1.131 0.000 0.945 1264 K CB 0.241 32.187 32.500 -0.923 0.000 0.750 1264 K HN 0.391 nan 8.250 nan 0.000 0.464 1265 E N 1.295 121.332 120.200 -0.272 0.000 2.347 1265 E HA -0.007 4.297 4.350 -0.076 0.000 0.196 1265 E C 0.390 176.929 176.600 -0.101 0.000 1.008 1265 E CA 0.396 56.705 56.400 -0.151 0.000 0.852 1265 E CB 0.268 29.894 29.700 -0.122 0.000 0.783 1265 E HN 0.288 nan 8.360 nan 0.000 0.505 1266 S N -0.705 114.938 115.700 -0.096 0.000 2.585 1266 S HA 0.489 4.913 4.470 -0.076 0.000 0.277 1266 S C 1.058 175.664 174.600 0.011 0.000 1.241 1266 S CA -0.114 58.060 58.200 -0.042 0.000 1.041 1266 S CB 1.379 64.538 63.200 -0.069 0.000 0.987 1266 S HN 0.162 nan 8.310 nan 0.000 0.512 1267 A N 3.635 126.484 122.820 0.049 0.000 2.121 1267 A HA 0.249 4.523 4.320 -0.076 0.000 0.218 1267 A C 1.888 179.511 177.584 0.065 0.000 1.154 1267 A CA 1.310 53.393 52.037 0.077 0.000 0.679 1267 A CB -0.758 18.305 19.000 0.104 0.000 0.795 1267 A HN 1.140 nan 8.150 nan 0.000 0.458 1268 A N -1.720 121.070 122.820 -0.050 0.000 2.275 1268 A HA 0.300 4.574 4.320 -0.076 0.000 0.212 1268 A C 0.635 178.163 177.584 -0.093 0.000 1.201 1268 A CA -0.421 51.502 52.037 -0.189 0.000 0.843 1268 A CB -0.536 18.093 19.000 -0.619 0.000 0.873 1268 A HN 0.496 nan 8.150 nan 0.000 0.492 1269 Y N 0.883 121.093 120.300 -0.149 0.000 2.810 1269 Y HA 0.260 4.764 4.550 -0.077 0.000 0.332 1269 Y C -0.289 175.516 175.900 -0.158 0.000 1.243 1269 Y CA -0.034 57.982 58.100 -0.139 0.000 1.537 1269 Y CB -0.044 38.353 38.460 -0.105 0.000 1.265 1269 Y HN 0.218 nan 8.280 nan 0.000 0.572 1270 I N 9.669 129.803 120.570 -0.728 0.000 2.497 1270 I HA 0.262 4.386 4.170 -0.076 0.000 0.284 1270 I C -2.353 173.223 176.117 -0.901 0.000 1.060 1270 I CA -2.184 58.647 61.300 -0.781 0.000 1.071 1270 I CB 2.087 39.679 38.000 -0.680 0.000 1.216 1270 I HN 0.505 nan 8.210 nan 0.000 0.442 1271 P HA 0.124 nan 4.420 nan 0.000 0.272 1271 P C -0.499 176.669 177.300 -0.219 0.000 1.230 1271 P CA -0.049 62.745 63.100 -0.511 0.000 0.788 1271 P CB 0.578 32.130 31.700 -0.246 0.000 0.949 1272 F N 0.273 120.236 119.950 0.022 0.000 2.553 1272 F HA 0.290 4.771 4.527 -0.076 0.000 0.356 1272 F C 2.042 177.848 175.800 0.011 0.000 1.142 1272 F CA 1.901 59.920 58.000 0.033 0.000 1.322 1272 F CB -0.188 38.834 39.000 0.037 0.000 1.126 1272 F HN 0.693 nan 8.300 nan 0.000 0.599 1273 G N 1.144 110.066 108.800 0.204 0.000 2.195 1273 G HA2 -0.215 3.699 3.960 -0.076 0.000 0.246 1273 G HA3 -0.215 3.699 3.960 -0.076 0.000 0.246 1273 G C -0.190 174.749 174.900 0.066 0.000 0.984 1273 G CA -0.150 45.012 45.100 0.104 0.000 0.633 1273 G HN 0.592 nan 8.290 nan 0.000 0.525 1274 E N -0.710 119.530 120.200 0.066 0.000 2.359 1274 E HA 0.632 4.936 4.350 -0.076 0.000 0.266 1274 E C 0.200 176.892 176.600 0.153 0.000 0.920 1274 E CA -0.446 55.985 56.400 0.050 0.000 0.788 1274 E CB 2.249 31.927 29.700 -0.037 0.000 1.279 1274 E HN 1.540 nan 8.360 nan 0.000 0.438 1275 G N 1.152 110.047 108.800 0.158 0.000 2.592 1275 G HA2 -0.100 3.815 3.960 -0.076 0.000 0.685 1275 G HA3 -0.100 3.815 3.960 -0.076 0.000 0.685 1275 G C -0.637 174.451 174.900 0.313 0.000 1.278 1275 G CA -0.575 44.731 45.100 0.343 0.000 0.822 1275 G HN 0.531 nan 8.290 nan 0.000 0.652 1276 D N -0.142 120.469 120.400 0.351 0.000 2.725 1276 D HA 0.305 4.899 4.640 -0.076 0.000 0.269 1276 D C 0.686 176.930 176.300 -0.093 0.000 1.018 1276 D CA 1.249 55.336 54.000 0.144 0.000 0.956 1276 D CB 0.368 41.432 40.800 0.440 0.000 1.141 1276 D HN 0.320 nan 8.370 nan 0.000 0.478 1277 F N -1.198 118.945 119.950 0.321 0.000 2.692 1277 F HA 0.350 4.832 4.527 -0.075 0.000 0.320 1277 F C -1.045 174.373 175.800 -0.636 0.000 1.123 1277 F CA -1.314 56.642 58.000 -0.072 0.000 0.961 1277 F CB 1.683 40.494 39.000 -0.315 0.000 1.383 1277 F HN -0.295 nan 8.300 nan 0.000 0.483 1278 Y N 1.713 121.484 120.300 -0.881 0.000 2.417 1278 Y HA 0.496 5.001 4.550 -0.076 0.000 0.336 1278 Y C -1.256 174.472 175.900 -0.286 0.000 0.961 1278 Y CA -0.969 56.674 58.100 -0.760 0.000 1.215 1278 Y CB 0.314 38.098 38.460 -1.127 0.000 1.120 1278 Y HN 0.395 nan 8.280 nan 0.000 0.499 1279 Y N 3.907 124.082 120.300 -0.208 0.000 2.301 1279 Y HA 0.238 4.742 4.550 -0.075 0.000 0.325 1279 Y C 0.199 176.102 175.900 0.006 0.000 1.203 1279 Y CA -0.489 57.625 58.100 0.024 0.000 1.255 1279 Y CB 0.564 39.142 38.460 0.197 0.000 1.232 1279 Y HN 0.521 nan 8.280 nan 0.000 0.501 1280 H N 1.639 120.872 119.070 0.272 0.000 2.517 1280 H HA 0.401 4.912 4.556 -0.074 0.000 0.317 1280 H C 0.172 175.641 175.328 0.235 0.000 1.080 1280 H CA -0.965 55.218 56.048 0.225 0.000 1.301 1280 H CB 1.679 31.596 29.762 0.259 0.000 1.425 1280 H HN 0.835 nan 8.280 nan 0.000 0.471 1281 A N 4.183 127.215 122.820 0.353 0.000 2.235 1281 A HA 0.145 4.419 4.320 -0.076 0.000 0.208 1281 A C 2.055 179.713 177.584 0.123 0.000 1.172 1281 A CA 0.797 52.980 52.037 0.243 0.000 0.786 1281 A CB -0.482 18.640 19.000 0.203 0.000 0.804 1281 A HN 0.730 nan 8.150 nan 0.000 0.479 1282 A N -0.391 122.252 122.820 -0.295 0.000 2.119 1282 A HA 0.370 4.644 4.320 -0.076 0.000 0.217 1282 A C 0.722 178.200 177.584 -0.176 0.000 1.153 1282 A CA 0.733 52.504 52.037 -0.444 0.000 0.692 1282 A CB -0.191 18.150 19.000 -1.098 0.000 0.799 1282 A HN 0.463 nan 8.150 nan 0.000 0.458 1283 I N -0.747 119.834 120.570 0.018 0.000 2.649 1283 I HA 0.494 4.618 4.170 -0.076 0.000 0.289 1283 I C -1.238 175.124 176.117 0.408 0.000 1.222 1283 I CA -0.693 60.696 61.300 0.148 0.000 1.046 1283 I CB 2.211 40.310 38.000 0.165 0.000 1.272 1283 I HN 0.284 nan 8.210 nan 0.000 0.425 1284 F N 3.485 123.635 119.950 0.333 0.000 2.719 1284 F HA 0.963 5.448 4.527 -0.070 0.000 0.309 1284 F C -0.301 175.633 175.800 0.224 0.000 1.138 1284 F CA -0.531 57.657 58.000 0.313 0.000 0.943 1284 F CB 1.405 40.561 39.000 0.260 0.000 1.304 1284 F HN 0.616 nan 8.300 nan 0.000 0.445 1285 G N -0.433 108.483 108.800 0.195 0.000 2.435 1285 G HA2 0.800 4.714 3.960 -0.076 0.000 0.296 1285 G HA3 0.800 4.714 3.960 -0.076 0.000 0.296 1285 G C -0.652 174.152 174.900 -0.160 0.000 1.240 1285 G CA -0.037 44.908 45.100 -0.257 0.000 0.872 1285 G HN 2.297 nan 8.290 nan 0.000 0.480 1286 G N -1.768 106.883 108.800 -0.250 0.000 2.302 1286 G HA2 0.556 4.470 3.960 -0.076 0.000 0.264 1286 G HA3 0.556 4.470 3.960 -0.076 0.000 0.264 1286 G C 0.099 175.061 174.900 0.103 0.000 1.335 1286 G CA 0.752 45.858 45.100 0.010 0.000 0.982 1286 G HN 2.101 nan 8.290 nan 0.000 0.473 1287 T N -0.421 114.177 114.554 0.072 0.000 2.868 1287 T HA 0.540 4.844 4.350 -0.076 0.000 0.292 1287 T C -1.208 173.436 174.700 -0.092 0.000 1.028 1287 T CA -0.308 61.715 62.100 -0.130 0.000 1.059 1287 T CB 1.695 70.455 68.868 -0.180 0.000 0.991 1287 T HN 0.225 nan 8.240 nan 0.000 0.531 1288 P HA -0.100 nan 4.420 nan 0.000 0.216 1288 P C 1.664 178.904 177.300 -0.100 0.000 1.153 1288 P CA 1.266 64.294 63.100 -0.121 0.000 0.858 1288 P CB -0.231 31.377 31.700 -0.154 0.000 0.789 1289 T N -0.655 113.845 114.554 -0.091 0.000 2.746 1289 T HA -0.165 4.139 4.350 -0.076 0.000 0.267 1289 T C 1.789 176.469 174.700 -0.032 0.000 1.039 1289 T CA 1.191 63.253 62.100 -0.064 0.000 1.142 1289 T CB -0.604 68.233 68.868 -0.050 0.000 0.866 1289 T HN 0.157 nan 8.240 nan 0.000 0.444 1290 Q N 0.480 120.275 119.800 -0.009 0.000 2.123 1290 Q HA 0.040 4.335 4.340 -0.076 0.000 0.199 1290 Q C 2.642 178.644 176.000 0.004 0.000 0.966 1290 Q CA 0.814 56.638 55.803 0.034 0.000 0.845 1290 Q CB -0.771 28.014 28.738 0.078 0.000 0.907 1290 Q HN 0.401 nan 8.270 nan 0.000 0.439 1291 V N 1.353 121.266 119.914 -0.002 0.000 2.515 1291 V HA -0.200 3.875 4.120 -0.076 0.000 0.250 1291 V C 2.265 178.330 176.094 -0.049 0.000 1.058 1291 V CA 1.079 63.387 62.300 0.013 0.000 1.064 1291 V CB -0.578 31.270 31.823 0.041 0.000 0.675 1291 V HN 0.210 nan 8.190 nan 0.000 0.461 1292 L N 0.946 122.127 121.223 -0.069 0.000 2.056 1292 L HA -0.131 4.164 4.340 -0.076 0.000 0.207 1292 L C 2.068 178.878 176.870 -0.100 0.000 1.078 1292 L CA 2.221 57.008 54.840 -0.088 0.000 0.749 1292 L CB -1.019 40.986 42.059 -0.091 0.000 0.901 1292 L HN 0.349 nan 8.230 nan 0.000 0.433 1293 N N -0.349 118.302 118.700 -0.082 0.000 2.120 1293 N HA -0.169 4.525 4.740 -0.076 0.000 0.188 1293 N C 1.824 177.184 175.510 -0.250 0.000 1.024 1293 N CA 1.886 54.899 53.050 -0.060 0.000 0.852 1293 N CB -0.237 38.287 38.487 0.062 0.000 1.003 1293 N HN 0.476 nan 8.380 nan 0.000 0.424 1294 I N -0.141 120.121 120.570 -0.513 0.000 2.127 1294 I HA -0.317 3.808 4.170 -0.076 0.000 0.241 1294 I C 2.274 177.977 176.117 -0.690 0.000 1.075 1294 I CA 1.740 62.358 61.300 -1.138 0.000 1.334 1294 I CB -0.884 36.542 38.000 -0.957 0.000 1.040 1294 I HN 0.393 nan 8.210 nan 0.000 0.405 1295 T N -1.664 112.674 114.554 -0.360 0.000 2.821 1295 T HA -0.188 4.117 4.350 -0.076 0.000 0.267 1295 T C 1.815 176.434 174.700 -0.133 0.000 1.046 1295 T CA 1.013 62.986 62.100 -0.211 0.000 1.139 1295 T CB -0.416 68.401 68.868 -0.084 0.000 0.871 1295 T HN 0.382 nan 8.240 nan 0.000 0.454 1296 Q N 0.353 120.084 119.800 -0.115 0.000 2.084 1296 Q HA -0.096 4.198 4.340 -0.076 0.000 0.202 1296 Q C 2.631 178.616 176.000 -0.025 0.000 0.978 1296 Q CA 1.365 57.144 55.803 -0.041 0.000 0.844 1296 Q CB -0.050 28.664 28.738 -0.040 0.000 0.898 1296 Q HN 0.545 nan 8.270 nan 0.000 0.426 1297 E N 0.034 120.197 120.200 -0.062 0.000 2.072 1297 E HA -0.144 4.160 4.350 -0.076 0.000 0.191 1297 E C 2.138 178.699 176.600 -0.065 0.000 0.985 1297 E CA 0.748 57.141 56.400 -0.012 0.000 0.801 1297 E CB -0.384 29.402 29.700 0.143 0.000 0.750 1297 E HN 0.363 nan 8.360 nan 0.000 0.452 1298 C N 0.567 119.781 119.300 -0.145 0.000 2.429 1298 C HA -0.125 4.289 4.460 -0.076 0.000 0.277 1298 C C 2.495 177.360 174.990 -0.208 0.000 1.262 1298 C CA 0.352 59.267 59.018 -0.172 0.000 1.733 1298 C CB -1.206 26.404 27.740 -0.217 0.000 2.010 1298 C HN 0.313 nan 8.230 nan 0.000 0.483 1299 F N 1.729 121.533 119.950 -0.245 0.000 2.259 1299 F HA -0.039 4.444 4.527 -0.073 0.000 0.298 1299 F C 2.224 177.898 175.800 -0.210 0.000 1.088 1299 F CA 1.405 59.270 58.000 -0.225 0.000 1.358 1299 F CB -0.393 38.512 39.000 -0.158 0.000 1.040 1299 F HN 0.163 nan 8.300 nan 0.000 0.505 1300 K N -0.343 119.962 120.400 -0.158 0.000 2.057 1300 K HA -0.119 4.155 4.320 -0.076 0.000 0.207 1300 K C 2.397 178.832 176.600 -0.274 0.000 1.049 1300 K CA 1.292 57.464 56.287 -0.191 0.000 0.931 1300 K CB -0.954 31.495 32.500 -0.085 0.000 0.714 1300 K HN 0.391 nan 8.250 nan 0.000 0.440 1301 G N 1.429 110.060 108.800 -0.282 0.000 2.418 1301 G HA2 -0.239 3.675 3.960 -0.076 0.000 0.217 1301 G HA3 -0.239 3.675 3.960 -0.076 0.000 0.217 1301 G C 1.512 176.130 174.900 -0.470 0.000 1.158 1301 G CA 0.776 45.710 45.100 -0.277 0.000 0.771 1301 G HN 0.146 nan 8.290 nan 0.000 0.545 1302 I N 0.346 120.431 120.570 -0.808 0.000 2.226 1302 I HA -0.143 3.981 4.170 -0.076 0.000 0.245 1302 I C 2.714 178.544 176.117 -0.479 0.000 1.100 1302 I CA 0.733 61.639 61.300 -0.656 0.000 1.374 1302 I CB -0.184 37.431 38.000 -0.642 0.000 1.057 1302 I HN 0.137 nan 8.210 nan 0.000 0.413 1303 L N 0.447 121.307 121.223 -0.606 0.000 2.056 1303 L HA -0.222 4.072 4.340 -0.076 0.000 0.207 1303 L C 2.631 179.351 176.870 -0.250 0.000 1.078 1303 L CA 1.355 55.926 54.840 -0.448 0.000 0.749 1303 L CB -0.603 41.181 42.059 -0.459 0.000 0.901 1303 L HN 0.230 nan 8.230 nan 0.000 0.433 1304 K N 0.309 120.581 120.400 -0.213 0.000 2.032 1304 K HA -0.226 4.048 4.320 -0.076 0.000 0.209 1304 K C 1.680 178.223 176.600 -0.095 0.000 1.048 1304 K CA 1.963 58.174 56.287 -0.126 0.000 0.927 1304 K CB -0.009 32.434 32.500 -0.094 0.000 0.712 1304 K HN 0.188 nan 8.250 nan 0.000 0.441 1305 D N 0.598 120.949 120.400 -0.082 0.000 2.144 1305 D HA -0.128 4.467 4.640 -0.076 0.000 0.199 1305 D C 1.713 177.970 176.300 -0.071 0.000 0.984 1305 D CA 1.173 55.144 54.000 -0.050 0.000 0.834 1305 D CB 0.041 40.844 40.800 0.004 0.000 0.955 1305 D HN 0.257 nan 8.370 nan 0.000 0.465 1306 K N 0.249 120.588 120.400 -0.101 0.000 2.097 1306 K HA -0.069 4.206 4.320 -0.076 0.000 0.206 1306 K C 1.839 178.392 176.600 -0.078 0.000 1.049 1306 K CA 0.727 56.958 56.287 -0.093 0.000 0.933 1306 K CB 0.187 32.616 32.500 -0.118 0.000 0.717 1306 K HN -0.045 nan 8.250 nan 0.000 0.442 1307 K N 0.635 120.985 120.400 -0.084 0.000 2.288 1307 K HA -0.013 4.261 4.320 -0.076 0.000 0.201 1307 K C 0.974 177.540 176.600 -0.057 0.000 1.048 1307 K CA 0.754 57.001 56.287 -0.067 0.000 0.956 1307 K CB -0.025 32.434 32.500 -0.068 0.000 0.746 1307 K HN 0.146 nan 8.250 nan 0.000 0.461 1308 N N 1.587 120.251 118.700 -0.059 0.000 2.276 1308 N HA -0.060 4.634 4.740 -0.076 0.000 0.212 1308 N C -0.644 174.834 175.510 -0.053 0.000 1.127 1308 N CA 0.105 53.123 53.050 -0.054 0.000 0.834 1308 N CB 0.224 38.678 38.487 -0.054 0.000 1.014 1308 N HN 0.107 nan 8.380 nan 0.000 0.491 1309 D N 0.972 121.340 120.400 -0.053 0.000 2.697 1309 D HA -0.208 4.386 4.640 -0.076 0.000 0.238 1309 D C -0.710 175.556 176.300 -0.056 0.000 1.152 1309 D CA 0.606 54.576 54.000 -0.051 0.000 0.666 1309 D CB -1.168 39.605 40.800 -0.045 0.000 1.037 1309 D HN 0.468 nan 8.370 nan 0.000 0.423 1310 I N -0.285 120.248 120.570 -0.060 0.000 2.918 1310 I HA 0.458 4.583 4.170 -0.076 0.000 0.301 1310 I C -1.489 174.588 176.117 -0.067 0.000 1.312 1310 I CA -0.827 60.432 61.300 -0.068 0.000 1.007 1310 I CB 1.934 39.890 38.000 -0.073 0.000 1.281 1310 I HN 0.075 nan 8.210 nan 0.000 0.440 1311 E N 5.222 125.369 120.200 -0.088 0.000 2.263 1311 E HA 0.655 4.959 4.350 -0.076 0.000 0.268 1311 E C -0.912 175.584 176.600 -0.174 0.000 0.884 1311 E CA -0.793 55.552 56.400 -0.091 0.000 0.766 1311 E CB 1.953 31.606 29.700 -0.078 0.000 1.196 1311 E HN 0.789 nan 8.360 nan 0.000 0.416 1312 A N 3.605 126.320 122.820 -0.175 0.000 2.561 1312 A HA -0.100 4.174 4.320 -0.076 0.000 0.234 1312 A C 1.131 178.437 177.584 -0.463 0.000 1.055 1312 A CA 0.651 52.514 52.037 -0.290 0.000 0.756 1312 A CB 0.500 19.273 19.000 -0.377 0.000 0.986 1312 A HN 0.982 nan 8.150 nan 0.000 0.505 1313 Q N 1.198 120.733 119.800 -0.441 0.000 2.062 1313 Q HA -0.195 4.099 4.340 -0.076 0.000 0.209 1313 Q C 0.226 175.598 176.000 -1.045 0.000 0.996 1313 Q CA 2.273 57.657 55.803 -0.698 0.000 0.859 1313 Q CB -0.076 28.314 28.738 -0.581 0.000 0.920 1313 Q HN 0.865 nan 8.270 nan 0.000 0.415 1314 W N -0.125 121.031 121.300 -0.241 0.000 2.159 1314 W HA 0.239 4.853 4.660 -0.077 0.000 0.375 1314 W C -0.055 176.432 176.519 -0.053 0.000 0.794 1314 W CA -0.544 56.745 57.345 -0.093 0.000 2.716 1314 W CB 0.159 29.704 29.460 0.142 0.000 1.583 1314 W HN 0.378 nan 8.180 nan 0.000 0.702 1315 H N -0.356 118.792 119.070 0.130 0.000 1.452 1315 H HA -0.401 4.109 4.556 -0.076 0.000 0.090 1315 H C 1.806 177.259 175.328 0.207 0.000 0.957 1315 H CA 2.010 58.127 56.048 0.114 0.000 1.901 1315 H CB -1.008 28.781 29.762 0.044 0.000 2.257 1315 H HN 0.249 nan 8.280 nan 0.000 0.961 1316 D N 0.788 121.392 120.400 0.340 0.000 2.221 1316 D HA -0.181 4.413 4.640 -0.076 0.000 0.204 1316 D C 1.738 178.145 176.300 0.179 0.000 0.982 1316 D CA 1.730 55.870 54.000 0.233 0.000 0.857 1316 D CB -0.477 40.401 40.800 0.128 0.000 0.934 1316 D HN 0.730 nan 8.370 nan 0.000 0.475 1317 E N 0.692 121.028 120.200 0.228 0.000 2.107 1317 E HA -0.111 4.193 4.350 -0.076 0.000 0.191 1317 E C 1.880 178.564 176.600 0.140 0.000 0.982 1317 E CA 0.735 57.249 56.400 0.190 0.000 0.809 1317 E CB 0.192 30.064 29.700 0.286 0.000 0.756 1317 E HN 0.096 nan 8.360 nan 0.000 0.459 1318 S N -0.062 115.729 115.700 0.151 0.000 2.368 1318 S HA -0.139 4.285 4.470 -0.076 0.000 0.224 1318 S C 1.707 176.250 174.600 -0.096 0.000 1.029 1318 S CA 0.837 59.063 58.200 0.043 0.000 0.988 1318 S CB -0.348 62.802 63.200 -0.083 0.000 0.838 1318 S HN 0.433 nan 8.310 nan 0.000 0.462 1319 H N 0.507 119.579 119.070 0.003 0.000 2.357 1319 H HA 0.018 4.528 4.556 -0.076 0.000 0.301 1319 H C 2.243 177.514 175.328 -0.095 0.000 1.082 1319 H CA 1.237 57.255 56.048 -0.050 0.000 1.342 1319 H CB -0.643 29.079 29.762 -0.066 0.000 1.389 1319 H HN 0.226 nan 8.280 nan 0.000 0.511 1320 L N 1.492 122.700 121.223 -0.025 0.000 2.042 1320 L HA -0.156 4.138 4.340 -0.076 0.000 0.210 1320 L C 1.896 178.715 176.870 -0.086 0.000 1.076 1320 L CA 1.490 56.199 54.840 -0.218 0.000 0.749 1320 L CB -0.620 41.292 42.059 -0.244 0.000 0.893 1320 L HN 0.138 nan 8.230 nan 0.000 0.432 1321 N N -0.334 118.390 118.700 0.040 0.000 2.244 1321 N HA -0.205 4.489 4.740 -0.076 0.000 0.183 1321 N C 1.824 177.350 175.510 0.026 0.000 1.016 1321 N CA 1.132 54.268 53.050 0.144 0.000 0.866 1321 N CB -0.017 38.518 38.487 0.081 0.000 0.980 1321 N HN 0.273 nan 8.380 nan 0.000 0.430 1322 K N 0.746 121.108 120.400 -0.065 0.000 2.057 1322 K HA -0.126 4.148 4.320 -0.076 0.000 0.206 1322 K C 1.986 178.550 176.600 -0.060 0.000 1.050 1322 K CA 0.943 57.163 56.287 -0.112 0.000 0.935 1322 K CB -0.721 31.724 32.500 -0.092 0.000 0.715 1322 K HN 0.168 nan 8.250 nan 0.000 0.439 1323 Y N -0.071 120.130 120.300 -0.166 0.000 2.114 1323 Y HA -0.121 4.384 4.550 -0.075 0.000 0.284 1323 Y C 1.622 177.438 175.900 -0.140 0.000 1.143 1323 Y CA 1.982 59.950 58.100 -0.221 0.000 1.135 1323 Y CB -0.413 37.805 38.460 -0.403 0.000 0.980 1323 Y HN 0.092 nan 8.280 nan 0.000 0.499 1324 F N -0.988 119.010 119.950 0.079 0.000 2.451 1324 F HA -0.181 4.299 4.527 -0.079 0.000 0.299 1324 F C 2.043 177.792 175.800 -0.085 0.000 1.101 1324 F CA 0.220 58.196 58.000 -0.040 0.000 1.436 1324 F CB -0.055 38.853 39.000 -0.152 0.000 1.074 1324 F HN 0.237 nan 8.300 nan 0.000 0.553 1325 L N 0.246 121.527 121.223 0.096 0.000 2.095 1325 L HA -0.104 4.190 4.340 -0.076 0.000 0.204 1325 L C 1.831 178.612 176.870 -0.149 0.000 1.080 1325 L CA 1.765 56.596 54.840 -0.016 0.000 0.759 1325 L CB -0.582 41.424 42.059 -0.089 0.000 0.914 1325 L HN 0.058 nan 8.230 nan 0.000 0.439 1326 L N -0.484 120.615 121.223 -0.206 0.000 2.179 1326 L HA 0.017 4.311 4.340 -0.076 0.000 0.208 1326 L C 0.251 176.931 176.870 -0.317 0.000 1.096 1326 L CA 0.436 55.123 54.840 -0.254 0.000 0.779 1326 L CB -0.344 41.553 42.059 -0.270 0.000 0.922 1326 L HN 0.292 nan 8.230 nan 0.000 0.443 1327 N N 1.000 119.457 118.700 -0.406 0.000 2.804 1327 N HA 0.139 4.833 4.740 -0.076 0.000 0.251 1327 N C -0.898 174.502 175.510 -0.183 0.000 1.250 1327 N CA -0.351 52.481 53.050 -0.363 0.000 0.820 1327 N CB 1.063 39.159 38.487 -0.652 0.000 1.156 1327 N HN -0.001 nan 8.380 nan 0.000 0.512 1328 K N 1.967 122.165 120.400 -0.336 0.000 2.530 1328 K HA 0.065 4.339 4.320 -0.076 0.000 0.280 1328 K C -1.985 174.497 176.600 -0.197 0.000 1.004 1328 K CA -0.789 55.170 56.287 -0.546 0.000 1.071 1328 K CB 0.100 31.749 32.500 -1.418 0.000 0.876 1328 K HN 0.337 nan 8.250 nan 0.000 0.487 1329 P HA 0.013 nan 4.420 nan 0.000 0.271 1329 P C 0.545 177.963 177.300 0.196 0.000 1.218 1329 P CA -0.099 62.943 63.100 -0.097 0.000 0.780 1329 P CB 0.492 31.841 31.700 -0.585 0.000 0.901 1330 T N -1.301 113.334 114.554 0.135 0.000 3.088 1330 T HA 0.072 4.376 4.350 -0.076 0.000 0.259 1330 T C 0.567 175.330 174.700 0.105 0.000 1.122 1330 T CA 0.545 62.750 62.100 0.174 0.000 1.095 1330 T CB 0.060 69.005 68.868 0.128 0.000 0.930 1330 T HN 0.492 nan 8.240 nan 0.000 0.508 1331 K N 0.114 120.537 120.400 0.037 0.000 2.542 1331 K HA 0.626 4.900 4.320 -0.076 0.000 0.259 1331 K C -2.068 174.489 176.600 -0.072 0.000 0.932 1331 K CA -0.973 55.296 56.287 -0.030 0.000 0.820 1331 K CB 1.931 34.391 32.500 -0.066 0.000 1.345 1331 K HN 0.160 nan 8.250 nan 0.000 0.432 1332 I N 4.677 125.190 120.570 -0.094 0.000 2.545 1332 I HA 0.356 4.480 4.170 -0.076 0.000 0.292 1332 I C -0.685 175.326 176.117 -0.177 0.000 1.040 1332 I CA -1.097 60.134 61.300 -0.116 0.000 1.068 1332 I CB 1.856 39.785 38.000 -0.118 0.000 1.251 1332 I HN 0.424 nan 8.210 nan 0.000 0.424 1333 L N 4.502 125.612 121.223 -0.187 0.000 2.309 1333 L HA 0.407 4.702 4.340 -0.076 0.000 0.282 1333 L C 0.681 177.379 176.870 -0.286 0.000 1.036 1333 L CA -0.524 54.124 54.840 -0.320 0.000 0.806 1333 L CB 1.662 43.480 42.059 -0.402 0.000 1.220 1333 L HN 0.706 nan 8.230 nan 0.000 0.429 1334 S N 2.509 117.921 115.700 -0.480 0.000 2.587 1334 S HA 0.180 4.604 4.470 -0.076 0.000 0.260 1334 S C -1.880 172.435 174.600 -0.474 0.000 1.353 1334 S CA -0.852 56.767 58.200 -0.970 0.000 0.995 1334 S CB 0.640 62.621 63.200 -2.031 0.000 0.912 1334 S HN 0.459 nan 8.310 nan 0.000 0.568 1335 P HA 0.012 nan 4.420 nan 0.000 0.231 1335 P C 0.662 177.956 177.300 -0.009 0.000 1.158 1335 P CA 0.857 63.907 63.100 -0.084 0.000 0.763 1335 P CB -0.090 31.573 31.700 -0.063 0.000 0.805 1336 E N -1.811 118.235 120.200 -0.256 0.000 2.268 1336 E HA -0.157 4.147 4.350 -0.076 0.000 0.195 1336 E C 0.810 177.260 176.600 -0.251 0.000 0.995 1336 E CA 0.860 57.089 56.400 -0.285 0.000 0.836 1336 E CB -0.427 29.061 29.700 -0.354 0.000 0.763 1336 E HN 0.439 nan 8.360 nan 0.000 0.491 1337 Y N -1.162 119.076 120.300 -0.103 0.000 2.490 1337 Y HA 0.111 4.614 4.550 -0.078 0.000 0.281 1337 Y C 0.577 176.575 175.900 0.163 0.000 1.174 1337 Y CA -0.057 58.025 58.100 -0.030 0.000 1.295 1337 Y CB 0.735 39.068 38.460 -0.212 0.000 1.062 1337 Y HN -0.006 nan 8.280 nan 0.000 0.522 1338 C N 1.118 120.600 119.300 0.303 0.000 2.993 1338 C HA 0.117 4.531 4.460 -0.076 0.000 0.298 1338 C C -0.785 174.502 174.990 0.495 0.000 0.906 1338 C CA -1.173 58.091 59.018 0.410 0.000 1.090 1338 C CB -1.245 26.766 27.740 0.451 0.000 1.656 1338 C HN 0.543 nan 8.230 nan 0.000 0.648 1339 W N 3.062 124.361 121.300 -0.002 0.000 2.438 1339 W HA 0.450 5.063 4.660 -0.078 0.000 0.324 1339 W C -0.647 175.469 176.519 -0.671 0.000 1.119 1339 W CA 0.190 57.337 57.345 -0.331 0.000 1.221 1339 W CB 1.172 30.345 29.460 -0.479 0.000 1.253 1339 W HN 0.580 nan 8.180 nan 0.000 0.555 1340 D N 4.329 123.476 120.400 -2.088 0.000 2.443 1340 D HA 0.087 4.681 4.640 -0.076 0.000 0.221 1340 D C 0.469 175.944 176.300 -1.376 0.000 1.097 1340 D CA -0.287 52.624 54.000 -1.815 0.000 0.865 1340 D CB 0.193 39.752 40.800 -2.069 0.000 1.034 1340 D HN 0.349 nan 8.370 nan 0.000 0.511 1341 Y N 1.554 121.500 120.300 -0.590 0.000 2.465 1341 Y HA -0.182 4.321 4.550 -0.077 0.000 0.289 1341 Y C 1.528 177.216 175.900 -0.354 0.000 1.150 1341 Y CA 0.784 58.709 58.100 -0.293 0.000 1.293 1341 Y CB 0.039 38.395 38.460 -0.174 0.000 0.977 1341 Y HN 0.616 nan 8.280 nan 0.000 0.556 1342 H N -0.952 118.041 119.070 -0.128 0.000 2.561 1342 H HA -0.049 4.461 4.556 -0.077 0.000 0.278 1342 H C 1.728 176.980 175.328 -0.126 0.000 1.014 1342 H CA 1.094 57.117 56.048 -0.041 0.000 1.211 1342 H CB -0.126 29.669 29.762 0.055 0.000 1.365 1342 H HN 0.406 nan 8.280 nan 0.000 0.594 1343 I N -0.724 119.639 120.570 -0.345 0.000 3.226 1343 I HA 0.118 4.243 4.170 -0.076 0.000 0.277 1343 I C 1.370 177.409 176.117 -0.129 0.000 1.243 1343 I CA 0.460 61.450 61.300 -0.518 0.000 1.459 1343 I CB 0.111 37.501 38.000 -1.016 0.000 1.093 1343 I HN 0.459 nan 8.210 nan 0.000 0.453 1344 G N 1.598 110.413 108.800 0.025 0.000 2.451 1344 G HA2 -0.163 3.751 3.960 -0.076 0.000 0.208 1344 G HA3 -0.163 3.751 3.960 -0.076 0.000 0.208 1344 G C -1.102 173.992 174.900 0.324 0.000 1.248 1344 G CA -0.629 44.549 45.100 0.131 0.000 0.989 1344 G HN 0.013 nan 8.290 nan 0.000 0.559 1345 L N 2.471 123.809 121.223 0.192 0.000 2.514 1345 L HA 0.550 4.844 4.340 -0.076 0.000 0.257 1345 L C -1.547 175.310 176.870 -0.022 0.000 1.101 1345 L CA -1.225 53.673 54.840 0.097 0.000 0.911 1345 L CB 0.957 43.070 42.059 0.089 0.000 1.162 1345 L HN 0.721 nan 8.230 nan 0.000 0.477 1346 P HA 0.255 nan 4.420 nan 0.000 0.273 1346 P C 0.701 177.941 177.300 -0.099 0.000 1.250 1346 P CA -0.154 62.922 63.100 -0.041 0.000 0.793 1346 P CB 0.934 32.649 31.700 0.026 0.000 1.011 1347 A N 0.814 123.595 122.820 -0.065 0.000 1.948 1347 A HA -0.218 4.056 4.320 -0.076 0.000 0.220 1347 A C 1.713 179.231 177.584 -0.109 0.000 1.177 1347 A CA 2.069 54.058 52.037 -0.080 0.000 0.636 1347 A CB -1.143 17.820 19.000 -0.062 0.000 0.815 1347 A HN 0.561 nan 8.150 nan 0.000 0.449 1348 D N -0.237 120.105 120.400 -0.096 0.000 2.264 1348 D HA -0.047 4.547 4.640 -0.076 0.000 0.208 1348 D C 0.383 176.622 176.300 -0.102 0.000 0.966 1348 D CA 0.620 54.550 54.000 -0.116 0.000 0.864 1348 D CB -0.135 40.659 40.800 -0.011 0.000 0.933 1348 D HN 0.304 nan 8.370 nan 0.000 0.499 1349 I N 2.051 122.459 120.570 -0.270 0.000 2.276 1349 I HA 0.061 4.185 4.170 -0.076 0.000 0.290 1349 I C 1.308 177.257 176.117 -0.280 0.000 1.109 1349 I CA -0.285 60.761 61.300 -0.423 0.000 1.229 1349 I CB 0.842 38.219 38.000 -1.038 0.000 1.452 1349 I HN -0.256 nan 8.210 nan 0.000 0.497 1350 K N 3.635 123.943 120.400 -0.154 0.000 2.076 1350 K HA 0.100 4.374 4.320 -0.076 0.000 0.204 1350 K C 0.378 176.912 176.600 -0.110 0.000 1.051 1350 K CA 0.837 57.057 56.287 -0.112 0.000 0.949 1350 K CB 0.307 32.766 32.500 -0.068 0.000 0.726 1350 K HN 0.356 nan 8.250 nan 0.000 0.443 1351 L N 0.738 121.885 121.223 -0.126 0.000 2.555 1351 L HA 0.250 4.544 4.340 -0.076 0.000 0.264 1351 L C -1.337 175.425 176.870 -0.179 0.000 0.972 1351 L CA -0.509 54.262 54.840 -0.115 0.000 0.876 1351 L CB 1.898 43.913 42.059 -0.073 0.000 1.216 1351 L HN -0.265 nan 8.230 nan 0.000 0.415 1352 V N 5.921 125.744 119.914 -0.153 0.000 2.521 1352 V HA 0.167 4.242 4.120 -0.076 0.000 0.286 1352 V C 0.916 176.927 176.094 -0.139 0.000 1.034 1352 V CA -0.059 62.142 62.300 -0.166 0.000 1.045 1352 V CB 0.932 32.697 31.823 -0.097 0.000 0.974 1352 V HN 0.764 nan 8.190 nan 0.000 0.480 1353 K N 3.509 123.784 120.400 -0.207 0.000 2.323 1353 K HA 0.368 4.642 4.320 -0.076 0.000 0.197 1353 K C 0.165 176.806 176.600 0.067 0.000 1.043 1353 K CA 0.491 56.715 56.287 -0.105 0.000 0.997 1353 K CB 0.325 32.657 32.500 -0.280 0.000 0.807 1353 K HN 0.674 nan 8.250 nan 0.000 0.497 1354 M N -0.145 119.474 119.600 0.032 0.000 2.414 1354 M HA 0.262 4.696 4.480 -0.076 0.000 0.287 1354 M C -1.786 174.555 176.300 0.067 0.000 1.181 1354 M CA -0.340 54.962 55.300 0.004 0.000 0.933 1354 M CB 2.074 34.591 32.600 -0.139 0.000 1.732 1354 M HN 0.027 nan 8.290 nan 0.000 0.486 1355 S N 1.778 117.535 115.700 0.095 0.000 2.568 1355 S HA 0.798 5.222 4.470 -0.076 0.000 0.293 1355 S C -1.340 173.445 174.600 0.308 0.000 1.089 1355 S CA -0.816 57.463 58.200 0.130 0.000 0.945 1355 S CB 0.931 64.173 63.200 0.070 0.000 1.077 1355 S HN 0.687 nan 8.310 nan 0.000 0.485 1356 W N 1.234 122.543 121.300 0.015 0.000 2.093 1356 W HA 0.400 5.015 4.660 -0.076 0.000 0.352 1356 W C 1.668 178.239 176.519 0.087 0.000 1.294 1356 W CA -0.784 56.589 57.345 0.045 0.000 1.290 1356 W CB 0.020 29.521 29.460 0.069 0.000 1.149 1356 W HN 0.725 nan 8.180 nan 0.000 0.606 1357 Q N 0.025 119.989 119.800 0.272 0.000 2.349 1357 Q HA -0.013 4.281 4.340 -0.076 0.000 0.209 1357 Q C 0.779 176.925 176.000 0.243 0.000 0.920 1357 Q CA 0.915 56.849 55.803 0.218 0.000 0.901 1357 Q CB 0.017 28.811 28.738 0.094 0.000 1.021 1357 Q HN 0.562 nan 8.270 nan 0.000 0.519 1358 T N -0.691 113.978 114.554 0.191 0.000 2.867 1358 T HA 0.366 4.670 4.350 -0.076 0.000 0.282 1358 T C -0.413 174.304 174.700 0.028 0.000 1.000 1358 T CA -0.751 61.412 62.100 0.105 0.000 1.042 1358 T CB 1.869 70.734 68.868 -0.004 0.000 0.973 1358 T HN -0.081 nan 8.240 nan 0.000 0.465 1359 K N 3.514 123.752 120.400 -0.271 0.000 2.285 1359 K HA 0.280 4.554 4.320 -0.076 0.000 0.286 1359 K C 0.058 176.528 176.600 -0.216 0.000 1.072 1359 K CA -0.406 55.539 56.287 -0.570 0.000 0.913 1359 K CB 0.397 32.318 32.500 -0.965 0.000 1.067 1359 K HN 0.844 nan 8.250 nan 0.000 0.479 1360 E N 0.000 120.121 120.200 -0.132 0.000 2.725 1360 E HA 0.000 4.304 4.350 -0.076 0.000 0.291 1360 E CA 0.000 56.327 56.400 -0.121 0.000 0.976 1360 E CB 0.000 29.658 29.700 -0.069 0.000 0.812 1360 E HN 0.000 nan 8.360 nan 0.000 0.440