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 3lvg_1_C DATA FIRST_RESID 1078 DATA SEQUENCE NTSAVQVLIE HIGNLDRAYE FAERCNEPAV WSQLAKAQLQ KGMVKEAIDS DATA SEQUENCE YIKADDPSSY MEVVQAANTS GNWEELVKYL QMARKKARES YVETELIFAL DATA SEQUENCE AKTNRLAELE EFINGPNNAH IQQVGDRCYD EKMYDAAKLL YNNVSNFGRL DATA SEQUENCE ASTLVHLGEY QAAVDGARKA NSTRTWKEVC FACVDGKEFR LAQMCGLHIV DATA SEQUENCE VHADELEELI NYYQDRGYFE ELITMLEAAL GLERAHMGMF TELAILYSKF DATA SEQUENCE KPQKMREHLE LFWSRVNIPK VLRAAEQAHL WAELVFLYDK YEEYDNAIIT DATA SEQUENCE MMNHPTDAWK EGQFKDIITK VANVELYYRA IQFYLEFKPL LLNDLLMVLS DATA SEQUENCE PRLDHTRAVN YFSKVKQLPL VKPYLRSVQN HNNKSVNESL NNLFITEEDY DATA SEQUENCE QALRTSIDAY DNFDNISLAQ RLEKHELIEF RRIAAYLFKG NNRWKQSVEL DATA SEQUENCE CKKDSLYKDA MQYASESKDT ELAEELLQWF LQEEKRECFG ACLFTCYDLL DATA SEQUENCE RPDVVLETAW RHNIMDFAMP YFIQVMKEYL TKVDKLDASE SLRKEEEQAT DATA SEQUENCE ETQ 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 1078 N HA 0.000 nan 4.740 nan 0.000 0.220 1078 N C 0.000 175.384 175.510 -0.210 0.000 1.280 1078 N CA 0.000 52.808 53.050 -0.404 0.000 0.885 1078 N CB 0.000 37.540 38.487 -1.579 0.000 1.341 1079 T N -0.050 114.415 114.554 -0.150 0.000 3.366 1079 T HA 0.344 4.694 4.350 -0.000 0.000 0.249 1079 T C 0.364 175.030 174.700 -0.057 0.000 1.028 1079 T CA 0.676 62.713 62.100 -0.106 0.000 0.938 1079 T CB -0.134 68.673 68.868 -0.101 0.000 1.046 1079 T HN 0.344 nan 8.240 nan 0.000 0.587 1080 S N -0.039 115.648 115.700 -0.021 0.000 2.501 1080 S HA 0.204 4.674 4.470 -0.000 0.000 0.250 1080 S C 2.006 176.630 174.600 0.039 0.000 0.959 1080 S CA 0.085 58.286 58.200 0.003 0.000 1.250 1080 S CB -0.446 62.753 63.200 -0.001 0.000 0.933 1080 S HN 0.423 nan 8.310 nan 0.000 0.420 1081 A N 1.198 124.064 122.820 0.077 0.000 2.234 1081 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 1081 A C 1.874 179.522 177.584 0.108 0.000 1.167 1081 A CA 1.715 53.814 52.037 0.103 0.000 0.698 1081 A CB -0.415 18.683 19.000 0.164 0.000 0.779 1081 A HN 0.405 nan 8.150 nan 0.000 0.475 1082 V N -1.063 118.915 119.914 0.106 0.000 2.599 1082 V HA -0.097 4.023 4.120 -0.000 0.000 0.237 1082 V C 1.990 178.119 176.094 0.059 0.000 1.081 1082 V CA 1.447 63.806 62.300 0.099 0.000 1.107 1082 V CB -0.439 31.447 31.823 0.105 0.000 0.808 1082 V HN 0.617 nan 8.190 nan 0.000 0.486 1083 Q N 0.051 119.866 119.800 0.025 0.000 2.449 1083 Q HA -0.089 4.251 4.340 -0.000 0.000 0.214 1083 Q C 0.970 176.982 176.000 0.020 0.000 0.986 1083 Q CA 1.557 57.365 55.803 0.008 0.000 0.893 1083 Q CB 0.027 28.755 28.738 -0.017 0.000 0.940 1083 Q HN 0.650 nan 8.270 nan 0.000 0.477 1084 V N 0.098 120.032 119.914 0.033 0.000 3.070 1084 V HA 0.024 4.144 4.120 -0.000 0.000 0.355 1084 V C 0.653 176.780 176.094 0.054 0.000 1.400 1084 V CA -0.058 62.264 62.300 0.037 0.000 1.170 1084 V CB 0.352 32.193 31.823 0.029 0.000 1.169 1084 V HN 0.238 nan 8.190 nan 0.000 0.554 1085 L N -0.391 120.870 121.223 0.063 0.000 2.633 1085 L HA 0.274 4.614 4.340 -0.000 0.000 0.235 1085 L C 0.845 177.759 176.870 0.073 0.000 1.163 1085 L CA 1.260 56.144 54.840 0.074 0.000 0.859 1085 L CB -0.683 41.434 42.059 0.097 0.000 0.973 1085 L HN 0.279 nan 8.230 nan 0.000 0.451 1086 I N -0.197 120.413 120.570 0.066 0.000 3.211 1086 I HA 0.164 4.334 4.170 -0.000 0.000 0.297 1086 I C 0.140 176.302 176.117 0.076 0.000 1.095 1086 I CA -0.581 60.757 61.300 0.064 0.000 1.239 1086 I CB 0.253 38.286 38.000 0.056 0.000 1.455 1086 I HN 0.056 nan 8.210 nan 0.000 0.630 1087 E N 2.230 122.479 120.200 0.083 0.000 2.014 1087 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 1087 E C -0.287 176.396 176.600 0.139 0.000 0.997 1087 E CA 0.086 56.533 56.400 0.079 0.000 0.804 1087 E CB 0.400 30.129 29.700 0.048 0.000 1.090 1087 E HN 0.531 nan 8.360 nan 0.000 0.401 1088 H N 2.860 121.938 119.070 0.013 0.000 2.129 1088 H HA 0.043 4.599 4.556 -0.000 0.000 0.147 1088 H C -0.266 175.067 175.328 0.008 0.000 1.010 1088 H CA 0.187 56.241 56.048 0.010 0.000 0.545 1088 H CB 0.369 30.137 29.762 0.009 0.000 1.101 1088 H HN 0.571 nan 8.280 nan 0.000 0.372 1089 I N -0.569 120.079 120.570 0.130 0.000 5.201 1089 I HA 0.138 4.308 4.170 -0.000 0.000 0.391 1089 I C 0.630 176.778 176.117 0.051 0.000 0.965 1089 I CA 1.159 62.512 61.300 0.088 0.000 1.614 1089 I CB 0.417 38.469 38.000 0.085 0.000 2.546 1089 I HN 0.231 nan 8.210 nan 0.000 0.811 1090 G N 1.625 110.455 108.800 0.050 0.000 2.571 1090 G HA2 0.185 4.145 3.960 -0.000 0.000 0.327 1090 G HA3 0.185 4.145 3.960 -0.000 0.000 0.327 1090 G C 0.564 175.472 174.900 0.013 0.000 1.008 1090 G CA -0.245 44.874 45.100 0.032 0.000 1.136 1090 G HN 0.304 nan 8.290 nan 0.000 0.444 1091 N N 1.597 120.294 118.700 -0.005 0.000 2.503 1091 N HA -0.121 4.619 4.740 -0.000 0.000 0.189 1091 N C 1.194 176.684 175.510 -0.033 0.000 1.048 1091 N CA 0.639 53.678 53.050 -0.018 0.000 0.905 1091 N CB -0.099 38.372 38.487 -0.027 0.000 0.951 1091 N HN 0.651 nan 8.380 nan 0.000 0.446 1092 L N -1.623 119.565 121.223 -0.059 0.000 5.756 1092 L HA -0.336 4.003 4.340 -0.000 0.000 0.053 1092 L C -0.149 176.486 176.870 -0.391 0.000 3.175 1092 L CA 1.292 56.073 54.840 -0.099 0.000 1.258 1092 L CB -1.311 40.796 42.059 0.079 0.000 3.132 1092 L HN 0.013 nan 8.230 nan 0.000 1.086 1093 D N 1.414 121.636 120.400 -0.296 0.000 3.455 1093 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 1093 D C 1.153 177.156 176.300 -0.494 0.000 1.079 1093 D CA 1.466 55.224 54.000 -0.404 0.000 1.419 1093 D CB -0.218 40.524 40.800 -0.096 0.000 1.177 1093 D HN 0.380 nan 8.370 nan 0.000 0.480 1094 R N -0.587 119.478 120.500 -0.726 0.000 3.718 1094 R HA 0.238 4.578 4.340 -0.000 0.000 0.136 1094 R C 1.923 177.584 176.300 -1.064 0.000 0.698 1094 R CA 0.426 56.174 56.100 -0.586 0.000 1.110 1094 R CB -0.317 29.835 30.300 -0.247 0.000 1.594 1094 R HN 0.093 nan 8.270 nan 0.000 0.490 1095 A N 0.901 123.185 122.820 -0.894 0.000 1.948 1095 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 1095 A C 1.353 178.456 177.584 -0.802 0.000 1.177 1095 A CA 1.726 53.331 52.037 -0.721 0.000 0.636 1095 A CB -0.750 18.165 19.000 -0.142 0.000 0.815 1095 A HN 0.626 nan 8.150 nan 0.000 0.449 1096 Y N -1.710 118.331 120.300 -0.431 0.000 2.532 1096 Y HA 0.482 5.032 4.550 -0.000 0.000 0.283 1096 Y C 1.376 177.094 175.900 -0.303 0.000 1.181 1096 Y CA -0.090 57.844 58.100 -0.278 0.000 1.256 1096 Y CB -0.351 38.026 38.460 -0.139 0.000 1.112 1096 Y HN 0.288 nan 8.280 nan 0.000 0.521 1097 E N 0.528 120.368 120.200 -0.600 0.000 2.415 1097 E HA 0.070 4.420 4.350 -0.000 0.000 0.197 1097 E C -0.077 176.405 176.600 -0.198 0.000 1.007 1097 E CA 0.269 56.459 56.400 -0.350 0.000 0.890 1097 E CB 0.129 29.613 29.700 -0.361 0.000 0.891 1097 E HN 0.612 nan 8.360 nan 0.000 0.496 1098 F N -2.328 117.614 119.950 -0.013 0.000 2.850 1098 F HA 0.633 5.160 4.527 -0.000 0.000 0.329 1098 F C 0.749 176.566 175.800 0.027 0.000 1.182 1098 F CA -1.003 56.998 58.000 0.003 0.000 1.270 1098 F CB -0.268 38.728 39.000 -0.007 0.000 0.979 1098 F HN -0.159 nan 8.300 nan 0.000 0.506 1099 A N -0.233 122.722 122.820 0.224 0.000 2.192 1099 A HA 0.166 4.486 4.320 -0.000 0.000 0.208 1099 A C 1.932 179.547 177.584 0.053 0.000 1.220 1099 A CA 0.302 52.453 52.037 0.190 0.000 0.900 1099 A CB -0.208 18.886 19.000 0.158 0.000 0.937 1099 A HN 0.385 nan 8.150 nan 0.000 0.487 1100 E N 0.246 120.467 120.200 0.035 0.000 2.358 1100 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 1100 E C 1.047 177.654 176.600 0.011 0.000 1.010 1100 E CA 1.085 57.482 56.400 -0.005 0.000 0.856 1100 E CB 0.092 29.792 29.700 0.000 0.000 0.795 1100 E HN 0.651 nan 8.360 nan 0.000 0.504 1101 R N -1.289 119.242 120.500 0.051 0.000 2.563 1101 R HA 0.272 4.612 4.340 -0.000 0.000 0.443 1101 R C -0.658 175.690 176.300 0.080 0.000 0.956 1101 R CA -0.334 55.799 56.100 0.055 0.000 1.141 1101 R CB -0.465 29.864 30.300 0.048 0.000 1.553 1101 R HN 0.050 nan 8.270 nan 0.000 0.577 1102 C N -0.365 119.002 119.300 0.112 0.000 3.170 1102 C HA 0.605 5.065 4.460 -0.000 0.000 0.319 1102 C C -0.385 174.712 174.990 0.178 0.000 1.260 1102 C CA -0.662 58.431 59.018 0.124 0.000 1.374 1102 C CB 1.530 29.344 27.740 0.123 0.000 1.739 1102 C HN 0.497 nan 8.230 nan 0.000 0.479 1103 N N 1.395 120.190 118.700 0.159 0.000 2.216 1103 N HA 0.533 5.273 4.740 -0.000 0.000 0.261 1103 N C -0.168 175.478 175.510 0.228 0.000 1.300 1103 N CA 0.802 53.990 53.050 0.231 0.000 0.938 1103 N CB 0.119 38.687 38.487 0.136 0.000 1.042 1103 N HN 0.958 nan 8.380 nan 0.000 0.438 1104 E N -1.450 118.833 120.200 0.137 0.000 2.402 1104 E HA 0.439 4.789 4.350 -0.000 0.000 0.270 1104 E C -2.595 173.954 176.600 -0.086 0.000 1.131 1104 E CA -0.907 55.533 56.400 0.066 0.000 0.884 1104 E CB 0.300 30.123 29.700 0.205 0.000 1.564 1104 E HN 0.380 nan 8.360 nan 0.000 0.456 1105 P HA 0.609 nan 4.420 nan 0.000 0.313 1105 P C 0.321 177.273 177.300 -0.580 0.000 1.202 1105 P CA 0.602 63.523 63.100 -0.297 0.000 0.756 1105 P CB -0.056 31.515 31.700 -0.216 0.000 1.853 1106 A N 0.176 122.704 122.820 -0.486 0.000 3.289 1106 A HA 0.220 4.540 4.320 -0.000 0.000 0.157 1106 A C 0.201 177.314 177.584 -0.786 0.000 1.293 1106 A CA 0.989 52.665 52.037 -0.603 0.000 0.896 1106 A CB -1.526 17.290 19.000 -0.306 0.000 0.998 1106 A HN 0.324 nan 8.150 nan 0.000 0.519 1107 V N -1.013 118.691 119.914 -0.351 0.000 5.580 1107 V HA -0.255 3.865 4.120 -0.000 0.000 0.301 1107 V C 0.611 176.750 176.094 0.076 0.000 0.703 1107 V CA 1.872 64.100 62.300 -0.121 0.000 1.110 1107 V CB -1.878 29.921 31.823 -0.040 0.000 1.297 1107 V HN 0.811 nan 8.190 nan 0.000 0.440 1108 W N 1.240 122.549 121.300 0.016 0.000 4.271 1108 W HA 0.035 4.695 4.660 -0.000 0.000 0.208 1108 W C 2.212 178.734 176.519 0.006 0.000 0.940 1108 W CA 0.394 57.747 57.345 0.013 0.000 2.040 1108 W CB 0.252 29.715 29.460 0.004 0.000 0.875 1108 W HN 0.470 nan 8.180 nan 0.000 0.877 1109 S N 0.184 116.043 115.700 0.264 0.000 2.446 1109 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 1109 S C 1.526 176.176 174.600 0.084 0.000 1.016 1109 S CA 1.317 59.588 58.200 0.118 0.000 0.943 1109 S CB -0.074 63.165 63.200 0.065 0.000 0.786 1109 S HN 0.280 nan 8.310 nan 0.000 0.508 1110 Q N -0.104 119.756 119.800 0.100 0.000 2.376 1110 Q HA 0.136 4.476 4.340 -0.000 0.000 0.206 1110 Q C 1.977 178.033 176.000 0.093 0.000 0.921 1110 Q CA 0.354 56.200 55.803 0.072 0.000 0.911 1110 Q CB -0.098 28.672 28.738 0.052 0.000 1.032 1110 Q HN 0.518 nan 8.270 nan 0.000 0.510 1111 L N 0.269 121.581 121.223 0.149 0.000 2.240 1111 L HA 0.109 4.449 4.340 -0.000 0.000 0.211 1111 L C 1.878 178.826 176.870 0.131 0.000 1.106 1111 L CA 1.656 56.597 54.840 0.169 0.000 0.793 1111 L CB -0.802 41.426 42.059 0.282 0.000 0.927 1111 L HN 0.284 nan 8.230 nan 0.000 0.446 1112 A N -0.090 122.794 122.820 0.107 0.000 2.067 1112 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 1112 A C 2.335 179.933 177.584 0.023 0.000 1.156 1112 A CA 1.162 53.225 52.037 0.044 0.000 0.683 1112 A CB -0.261 18.745 19.000 0.011 0.000 0.808 1112 A HN 0.436 nan 8.150 nan 0.000 0.455 1113 K N -0.635 119.786 120.400 0.034 0.000 2.243 1113 K HA 0.161 4.481 4.320 -0.000 0.000 0.201 1113 K C 1.862 178.476 176.600 0.024 0.000 1.051 1113 K CA 0.826 57.126 56.287 0.022 0.000 0.970 1113 K CB -0.098 32.416 32.500 0.023 0.000 0.755 1113 K HN 0.374 nan 8.250 nan 0.000 0.465 1114 A N 0.014 122.856 122.820 0.037 0.000 1.997 1114 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 1114 A C 1.719 179.319 177.584 0.026 0.000 1.178 1114 A CA 0.436 52.495 52.037 0.037 0.000 0.698 1114 A CB 0.072 19.106 19.000 0.056 0.000 0.842 1114 A HN 0.163 nan 8.150 nan 0.000 0.458 1115 Q N -0.615 119.203 119.800 0.029 0.000 2.403 1115 Q HA 0.184 4.524 4.340 -0.000 0.000 0.203 1115 Q C 1.049 177.032 176.000 -0.027 0.000 0.932 1115 Q CA 0.339 56.144 55.803 0.004 0.000 0.945 1115 Q CB 0.515 29.272 28.738 0.032 0.000 1.045 1115 Q HN 0.452 nan 8.270 nan 0.000 0.511 1116 L N -0.551 120.659 121.223 -0.021 0.000 2.609 1116 L HA 0.123 4.463 4.340 -0.000 0.000 0.230 1116 L C 1.243 178.093 176.870 -0.033 0.000 1.087 1116 L CA 0.876 55.694 54.840 -0.037 0.000 0.874 1116 L CB 0.223 42.260 42.059 -0.036 0.000 1.114 1116 L HN 0.204 nan 8.230 nan 0.000 0.488 1117 Q N -0.403 119.385 119.800 -0.021 0.000 2.281 1117 Q HA 0.117 4.457 4.340 -0.000 0.000 0.215 1117 Q C -0.164 175.823 176.000 -0.022 0.000 0.867 1117 Q CA 0.186 55.978 55.803 -0.017 0.000 0.940 1117 Q CB 1.012 29.748 28.738 -0.003 0.000 1.111 1117 Q HN 0.235 nan 8.270 nan 0.000 0.513 1118 K N 1.011 121.393 120.400 -0.031 0.000 2.507 1118 K HA 0.528 4.848 4.320 -0.000 0.000 0.253 1118 K C -0.050 176.501 176.600 -0.082 0.000 0.969 1118 K CA -0.136 56.126 56.287 -0.043 0.000 0.908 1118 K CB 1.742 34.228 32.500 -0.024 0.000 1.127 1118 K HN 0.192 nan 8.250 nan 0.000 0.437 1119 G N 2.727 111.480 108.800 -0.078 0.000 2.642 1119 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.231 1119 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.231 1119 G C -0.804 174.042 174.900 -0.090 0.000 1.338 1119 G CA -0.769 44.270 45.100 -0.102 0.000 0.883 1119 G HN 0.376 nan 8.290 nan 0.000 0.570 1120 M N 0.286 119.826 119.600 -0.100 0.000 2.322 1120 M HA 0.566 5.046 4.480 -0.000 0.000 0.285 1120 M C 0.601 176.844 176.300 -0.095 0.000 1.119 1120 M CA -0.107 55.140 55.300 -0.088 0.000 0.953 1120 M CB 1.128 33.684 32.600 -0.074 0.000 1.701 1120 M HN 1.774 nan 8.290 nan 0.000 0.479 1121 V N -0.032 119.827 119.914 -0.092 0.000 3.415 1121 V HA -0.019 4.101 4.120 -0.000 0.000 0.255 1121 V C 1.390 177.432 176.094 -0.086 0.000 1.799 1121 V CA 0.377 62.626 62.300 -0.086 0.000 1.041 1121 V CB -0.629 31.141 31.823 -0.089 0.000 0.945 1121 V HN 0.890 nan 8.190 nan 0.000 0.347 1122 K N 2.459 122.801 120.400 -0.097 0.000 2.728 1122 K HA -0.506 3.814 4.320 -0.000 0.000 0.202 1122 K C 1.693 178.210 176.600 -0.138 0.000 0.892 1122 K CA 3.051 59.264 56.287 -0.122 0.000 0.885 1122 K CB -1.333 31.077 32.500 -0.149 0.000 1.360 1122 K HN 0.682 nan 8.250 nan 0.000 0.539 1123 E N 0.982 121.109 120.200 -0.122 0.000 2.187 1123 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 1123 E C 1.909 178.483 176.600 -0.044 0.000 1.004 1123 E CA 1.543 57.889 56.400 -0.090 0.000 0.813 1123 E CB -0.115 29.547 29.700 -0.064 0.000 0.736 1123 E HN 0.595 nan 8.360 nan 0.000 0.468 1124 A N 0.228 123.022 122.820 -0.043 0.000 1.920 1124 A HA 0.058 4.378 4.320 -0.000 0.000 0.209 1124 A C 1.900 179.488 177.584 0.007 0.000 1.229 1124 A CA 0.257 52.284 52.037 -0.016 0.000 0.671 1124 A CB -0.123 18.855 19.000 -0.036 0.000 0.886 1124 A HN 0.305 nan 8.150 nan 0.000 0.461 1125 I N -0.016 120.542 120.570 -0.019 0.000 3.444 1125 I HA -0.014 4.156 4.170 -0.000 0.000 0.287 1125 I C 0.628 176.722 176.117 -0.040 0.000 1.302 1125 I CA 1.085 62.387 61.300 0.002 0.000 1.368 1125 I CB -0.009 37.984 38.000 -0.013 0.000 1.048 1125 I HN 0.237 nan 8.210 nan 0.000 0.487 1126 D N -1.799 118.547 120.400 -0.091 0.000 2.469 1126 D HA 0.171 4.811 4.640 -0.000 0.000 0.215 1126 D C 1.249 177.479 176.300 -0.117 0.000 1.154 1126 D CA 0.256 54.135 54.000 -0.201 0.000 0.832 1126 D CB 0.459 41.038 40.800 -0.368 0.000 1.008 1126 D HN 0.071 nan 8.370 nan 0.000 0.506 1127 S N -0.896 114.845 115.700 0.068 0.000 2.846 1127 S HA 0.142 4.612 4.470 -0.000 0.000 0.249 1127 S C -0.292 174.451 174.600 0.239 0.000 1.028 1127 S CA -0.409 57.941 58.200 0.250 0.000 1.043 1127 S CB -0.006 63.332 63.200 0.229 0.000 0.990 1127 S HN 0.259 nan 8.310 nan 0.000 0.564 1128 Y N 1.049 121.325 120.300 -0.040 0.000 2.888 1128 Y HA 0.327 4.877 4.550 -0.000 0.000 0.260 1128 Y C 0.311 176.063 175.900 -0.248 0.000 1.113 1128 Y CA -0.508 57.559 58.100 -0.055 0.000 1.237 1128 Y CB 0.477 38.956 38.460 0.031 0.000 1.307 1128 Y HN 0.426 nan 8.280 nan 0.000 0.580 1129 I N -3.167 117.112 120.570 -0.485 0.000 4.670 1129 I HA 0.343 4.513 4.170 -0.000 0.000 0.339 1129 I C 0.296 175.702 176.117 -1.184 0.000 1.310 1129 I CA -0.087 60.393 61.300 -1.367 0.000 1.288 1129 I CB 0.197 37.654 38.000 -0.904 0.000 1.427 1129 I HN -0.114 nan 8.210 nan 0.000 0.494 1130 K N 2.442 122.528 120.400 -0.522 0.000 2.155 1130 K HA 0.543 4.863 4.320 -0.000 0.000 0.240 1130 K C 1.152 177.550 176.600 -0.337 0.000 1.193 1130 K CA 0.451 56.558 56.287 -0.299 0.000 1.104 1130 K CB 0.392 32.893 32.500 0.002 0.000 1.558 1130 K HN 0.418 nan 8.250 nan 0.000 0.313 1131 A N 2.871 125.396 122.820 -0.491 0.000 1.897 1131 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 1131 A C 1.339 178.881 177.584 -0.071 0.000 1.181 1131 A CA 1.681 53.618 52.037 -0.167 0.000 0.620 1131 A CB 0.014 19.105 19.000 0.152 0.000 0.821 1131 A HN 0.871 nan 8.150 nan 0.000 0.443 1132 D N -2.371 117.939 120.400 -0.149 0.000 2.453 1132 D HA 0.182 4.822 4.640 -0.000 0.000 0.256 1132 D C -0.370 175.895 176.300 -0.057 0.000 1.152 1132 D CA 0.806 54.778 54.000 -0.047 0.000 0.818 1132 D CB 0.160 40.987 40.800 0.045 0.000 1.259 1132 D HN 0.473 nan 8.370 nan 0.000 0.531 1133 D N -1.283 119.052 120.400 -0.109 0.000 3.031 1133 D HA 0.060 4.700 4.640 -0.000 0.000 0.335 1133 D C -2.679 173.574 176.300 -0.079 0.000 1.406 1133 D CA -0.560 53.408 54.000 -0.052 0.000 0.752 1133 D CB -0.123 40.668 40.800 -0.016 0.000 1.335 1133 D HN -0.139 nan 8.370 nan 0.000 0.461 1134 P HA 0.170 nan 4.420 nan 0.000 0.298 1134 P C 0.520 177.803 177.300 -0.029 0.000 1.310 1134 P CA 0.774 63.844 63.100 -0.050 0.000 0.991 1134 P CB 1.016 32.690 31.700 -0.043 0.000 1.512 1135 S N 0.615 116.306 115.700 -0.016 0.000 3.645 1135 S HA -0.358 4.112 4.470 -0.000 0.000 0.570 1135 S C 1.222 175.804 174.600 -0.029 0.000 2.436 1135 S CA 2.698 60.882 58.200 -0.027 0.000 4.077 1135 S CB -1.346 61.837 63.200 -0.029 0.000 0.856 1135 S HN 0.408 nan 8.310 nan 0.000 0.996 1136 S N -1.647 114.011 115.700 -0.070 0.000 3.186 1136 S HA -0.271 4.199 4.470 -0.000 0.000 0.249 1136 S C 0.727 175.238 174.600 -0.148 0.000 1.453 1136 S CA 2.077 60.241 58.200 -0.059 0.000 3.213 1136 S CB -2.010 61.192 63.200 0.003 0.000 0.764 1136 S HN 2.416 nan 8.310 nan 0.000 0.474 1137 Y N -2.250 118.066 120.300 0.026 0.000 2.866 1137 Y HA -0.353 4.197 4.550 -0.000 0.000 0.463 1137 Y C 1.111 177.043 175.900 0.053 0.000 1.250 1137 Y CA 0.630 58.759 58.100 0.048 0.000 2.317 1137 Y CB -1.641 36.869 38.460 0.082 0.000 1.843 1137 Y HN 0.445 nan 8.280 nan 0.000 0.612 1138 M N 1.346 121.209 119.600 0.438 0.000 2.128 1138 M HA -0.309 4.171 4.480 -0.000 0.000 0.253 1138 M C 1.932 178.314 176.300 0.137 0.000 1.079 1138 M CA 2.852 58.255 55.300 0.170 0.000 1.082 1138 M CB -0.461 32.167 32.600 0.047 0.000 1.335 1138 M HN 0.720 nan 8.290 nan 0.000 0.401 1139 E N -0.558 119.748 120.200 0.176 0.000 2.021 1139 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 1139 E C 1.701 178.328 176.600 0.045 0.000 1.015 1139 E CA 2.465 58.920 56.400 0.092 0.000 0.824 1139 E CB -0.181 29.570 29.700 0.085 0.000 0.762 1139 E HN 0.479 nan 8.360 nan 0.000 0.454 1140 V N 0.652 120.589 119.914 0.038 0.000 2.307 1140 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 1140 V C 2.520 178.609 176.094 -0.009 0.000 1.045 1140 V CA 1.473 63.769 62.300 -0.007 0.000 1.024 1140 V CB -0.418 31.391 31.823 -0.024 0.000 0.651 1140 V HN 0.228 nan 8.190 nan 0.000 0.449 1141 V N 0.101 120.030 119.914 0.025 0.000 2.215 1141 V HA -0.380 3.740 4.120 -0.000 0.000 0.249 1141 V C 2.567 178.669 176.094 0.014 0.000 1.054 1141 V CA 2.628 64.940 62.300 0.021 0.000 1.012 1141 V CB -0.880 30.966 31.823 0.038 0.000 0.639 1141 V HN 0.577 nan 8.190 nan 0.000 0.448 1142 Q N 0.174 119.986 119.800 0.021 0.000 2.061 1142 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 1142 Q C 2.295 178.298 176.000 0.005 0.000 0.984 1142 Q CA 2.582 58.395 55.803 0.016 0.000 0.846 1142 Q CB -0.702 28.043 28.738 0.012 0.000 0.902 1142 Q HN 0.607 nan 8.270 nan 0.000 0.421 1143 A N 1.224 124.038 122.820 -0.009 0.000 1.896 1143 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 1143 A C 1.448 178.990 177.584 -0.070 0.000 1.206 1143 A CA 1.870 53.887 52.037 -0.034 0.000 0.647 1143 A CB -1.180 17.795 19.000 -0.042 0.000 0.828 1143 A HN 0.524 nan 8.150 nan 0.000 0.455 1144 A N -0.469 122.296 122.820 -0.091 0.000 2.545 1144 A HA 0.481 4.801 4.320 -0.000 0.000 0.297 1144 A C 0.584 178.082 177.584 -0.143 0.000 1.340 1144 A CA 0.569 52.509 52.037 -0.162 0.000 1.016 1144 A CB -0.599 18.302 19.000 -0.165 0.000 1.122 1144 A HN 0.762 nan 8.150 nan 0.000 0.537 1145 N N 0.387 118.960 118.700 -0.211 0.000 2.505 1145 N HA -0.196 4.544 4.740 -0.000 0.000 0.300 1145 N C 1.589 177.188 175.510 0.148 0.000 0.797 1145 N CA 1.021 54.059 53.050 -0.021 0.000 1.111 1145 N CB -0.517 38.083 38.487 0.187 0.000 2.337 1145 N HN 0.570 nan 8.380 nan 0.000 1.254 1146 T N -0.392 114.212 114.554 0.083 0.000 2.701 1146 T HA 0.032 4.382 4.350 -0.000 0.000 0.263 1146 T C 1.719 176.462 174.700 0.071 0.000 1.040 1146 T CA 1.868 64.061 62.100 0.154 0.000 1.147 1146 T CB -0.538 68.379 68.868 0.082 0.000 0.865 1146 T HN 0.239 nan 8.240 nan 0.000 0.426 1147 S N 1.372 117.001 115.700 -0.118 0.000 2.138 1147 S HA 0.384 4.854 4.470 -0.000 0.000 0.186 1147 S C 0.835 175.196 174.600 -0.398 0.000 1.409 1147 S CA 0.538 58.631 58.200 -0.177 0.000 2.447 1147 S CB -0.964 62.121 63.200 -0.192 0.000 0.289 1147 S HN 1.020 nan 8.310 nan 0.000 0.349 1148 G N 0.864 109.362 108.800 -0.502 0.000 2.753 1148 G HA2 0.561 4.521 3.960 -0.000 0.000 0.282 1148 G HA3 0.561 4.521 3.960 -0.000 0.000 0.282 1148 G C -1.147 173.414 174.900 -0.565 0.000 1.512 1148 G CA -0.457 44.267 45.100 -0.627 0.000 1.076 1148 G HN 1.015 nan 8.290 nan 0.000 0.545 1149 N N 1.498 119.722 118.700 -0.795 0.000 3.990 1149 N HA -0.080 4.660 4.740 -0.000 0.000 0.108 1149 N C -0.484 174.803 175.510 -0.371 0.000 1.000 1149 N CA -0.886 51.937 53.050 -0.379 0.000 2.460 1149 N CB -0.482 37.822 38.487 -0.305 0.000 1.506 1149 N HN 0.494 nan 8.380 nan 0.000 0.776 1150 W N 1.349 122.668 121.300 0.032 0.000 2.857 1150 W HA 0.142 4.802 4.660 -0.000 0.000 0.301 1150 W C 2.175 178.727 176.519 0.055 0.000 1.047 1150 W CA 0.926 58.297 57.345 0.043 0.000 1.671 1150 W CB -0.961 28.522 29.460 0.037 0.000 1.225 1150 W HN 0.405 nan 8.180 nan 0.000 0.501 1151 E N 0.727 121.133 120.200 0.344 0.000 2.245 1151 E HA -0.327 4.023 4.350 -0.000 0.000 0.217 1151 E C 1.550 178.238 176.600 0.146 0.000 1.069 1151 E CA 2.528 59.045 56.400 0.196 0.000 0.877 1151 E CB 0.033 29.826 29.700 0.155 0.000 0.757 1151 E HN 0.095 nan 8.360 nan 0.000 0.464 1152 E N -0.268 120.023 120.200 0.151 0.000 2.250 1152 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 1152 E C 1.712 178.459 176.600 0.245 0.000 0.986 1152 E CA 0.472 56.969 56.400 0.163 0.000 0.849 1152 E CB -0.184 29.619 29.700 0.173 0.000 0.797 1152 E HN 0.308 nan 8.360 nan 0.000 0.482 1153 L N 0.585 121.916 121.223 0.181 0.000 1.989 1153 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 1153 L C 1.953 178.930 176.870 0.179 0.000 1.071 1153 L CA 1.681 56.605 54.840 0.140 0.000 0.749 1153 L CB -0.690 41.379 42.059 0.016 0.000 0.890 1153 L HN 0.091 nan 8.230 nan 0.000 0.431 1154 V N -1.473 118.545 119.914 0.173 0.000 2.469 1154 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 1154 V C 2.620 178.794 176.094 0.132 0.000 1.064 1154 V CA 2.231 64.627 62.300 0.160 0.000 1.066 1154 V CB -1.327 30.595 31.823 0.166 0.000 0.667 1154 V HN 0.527 nan 8.190 nan 0.000 0.461 1155 K N -1.045 119.426 120.400 0.117 0.000 2.167 1155 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 1155 K C 2.100 178.721 176.600 0.035 0.000 1.052 1155 K CA 0.920 57.237 56.287 0.051 0.000 0.956 1155 K CB -0.248 32.256 32.500 0.007 0.000 0.735 1155 K HN 0.490 nan 8.250 nan 0.000 0.451 1156 Y N 0.963 121.266 120.300 0.005 0.000 2.315 1156 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 1156 Y C 1.592 177.485 175.900 -0.011 0.000 1.154 1156 Y CA 1.283 59.375 58.100 -0.013 0.000 1.229 1156 Y CB 0.115 38.561 38.460 -0.023 0.000 0.980 1156 Y HN 0.036 nan 8.280 nan 0.000 0.540 1157 L N -0.867 120.445 121.223 0.149 0.000 2.307 1157 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 1157 L C 2.417 179.319 176.870 0.054 0.000 1.099 1157 L CA 0.795 55.690 54.840 0.092 0.000 0.816 1157 L CB -0.707 41.404 42.059 0.087 0.000 0.952 1157 L HN 0.145 nan 8.230 nan 0.000 0.455 1158 Q N 0.549 120.375 119.800 0.044 0.000 2.242 1158 Q HA -0.296 4.044 4.340 -0.000 0.000 0.211 1158 Q C 1.944 177.947 176.000 0.004 0.000 0.992 1158 Q CA 2.107 57.923 55.803 0.021 0.000 0.889 1158 Q CB 0.020 28.755 28.738 -0.005 0.000 0.913 1158 Q HN 0.392 nan 8.270 nan 0.000 0.422 1159 M N -1.071 118.523 119.600 -0.009 0.000 2.567 1159 M HA 0.218 4.698 4.480 -0.000 0.000 0.261 1159 M C 1.832 178.131 176.300 -0.002 0.000 1.180 1159 M CA 0.939 56.229 55.300 -0.018 0.000 1.143 1159 M CB -0.001 32.570 32.600 -0.048 0.000 1.319 1159 M HN 0.291 nan 8.290 nan 0.000 0.490 1160 A N 0.053 122.883 122.820 0.015 0.000 1.972 1160 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 1160 A C 2.275 179.867 177.584 0.013 0.000 1.169 1160 A CA 1.517 53.567 52.037 0.020 0.000 0.635 1160 A CB -0.537 18.486 19.000 0.039 0.000 0.810 1160 A HN 0.436 nan 8.150 nan 0.000 0.446 1161 R N -0.456 120.053 120.500 0.015 0.000 2.091 1161 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 1161 R C 1.865 178.171 176.300 0.010 0.000 1.136 1161 R CA 1.748 57.854 56.100 0.011 0.000 0.959 1161 R CB -0.233 30.079 30.300 0.020 0.000 0.856 1161 R HN 0.356 nan 8.270 nan 0.000 0.437 1162 K N 0.389 120.794 120.400 0.009 0.000 2.281 1162 K HA -0.143 4.177 4.320 -0.000 0.000 0.203 1162 K C 1.598 178.204 176.600 0.010 0.000 1.046 1162 K CA 1.385 57.676 56.287 0.008 0.000 0.938 1162 K CB 0.096 32.598 32.500 0.003 0.000 0.737 1162 K HN 0.050 nan 8.250 nan 0.000 0.458 1163 K N -0.857 119.549 120.400 0.010 0.000 2.218 1163 K HA 0.250 4.570 4.320 -0.000 0.000 0.214 1163 K C 1.784 178.394 176.600 0.016 0.000 1.033 1163 K CA 0.912 57.207 56.287 0.013 0.000 0.949 1163 K CB -0.342 32.165 32.500 0.012 0.000 0.993 1163 K HN 0.053 nan 8.250 nan 0.000 0.464 1164 A N 0.557 123.385 122.820 0.014 0.000 2.070 1164 A HA 0.241 4.561 4.320 -0.000 0.000 0.221 1164 A C -0.196 177.389 177.584 0.001 0.000 1.603 1164 A CA 0.688 52.736 52.037 0.019 0.000 0.639 1164 A CB -0.274 18.742 19.000 0.028 0.000 1.235 1164 A HN 0.336 nan 8.150 nan 0.000 0.518 1165 R N 0.161 120.643 120.500 -0.031 0.000 1.507 1165 R HA -0.136 4.204 4.340 -0.000 0.000 0.404 1165 R C -1.569 174.661 176.300 -0.116 0.000 1.291 1165 R CA 1.094 57.156 56.100 -0.063 0.000 1.082 1165 R CB -1.602 28.686 30.300 -0.020 0.000 3.235 1165 R HN 0.901 nan 8.270 nan 0.000 0.491 1166 E N 3.062 123.102 120.200 -0.267 0.000 2.716 1166 E HA 0.089 4.439 4.350 -0.000 0.000 0.379 1166 E C 0.025 176.156 176.600 -0.781 0.000 0.969 1166 E CA -0.100 56.056 56.400 -0.407 0.000 0.735 1166 E CB 0.698 30.184 29.700 -0.357 0.000 1.498 1166 E HN 0.567 nan 8.360 nan 0.000 0.395 1167 S N 2.468 117.943 115.700 -0.376 0.000 2.746 1167 S HA -0.438 4.032 4.470 -0.000 0.000 0.526 1167 S C 1.584 176.038 174.600 -0.243 0.000 0.959 1167 S CA 3.004 61.024 58.200 -0.300 0.000 3.281 1167 S CB -1.337 61.741 63.200 -0.204 0.000 2.286 1167 S HN 0.836 nan 8.310 nan 0.000 0.525 1168 Y N 0.948 121.130 120.300 -0.198 0.000 2.446 1168 Y HA 0.176 4.726 4.550 -0.000 0.000 0.287 1168 Y C 2.193 178.026 175.900 -0.112 0.000 1.159 1168 Y CA 0.960 58.949 58.100 -0.184 0.000 1.297 1168 Y CB -1.026 37.294 38.460 -0.233 0.000 0.974 1168 Y HN 0.231 nan 8.280 nan 0.000 0.557 1169 V N 0.240 119.833 119.914 -0.534 0.000 3.090 1169 V HA -0.044 4.076 4.120 -0.000 0.000 0.237 1169 V C 2.249 178.249 176.094 -0.158 0.000 1.209 1169 V CA 1.020 63.150 62.300 -0.282 0.000 1.209 1169 V CB 0.302 31.943 31.823 -0.302 0.000 0.971 1169 V HN 0.451 nan 8.190 nan 0.000 0.477 1170 E N 0.010 120.096 120.200 -0.191 0.000 2.099 1170 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 1170 E C 1.872 178.456 176.600 -0.027 0.000 0.962 1170 E CA 1.390 57.748 56.400 -0.071 0.000 0.826 1170 E CB -0.438 29.226 29.700 -0.059 0.000 0.788 1170 E HN 0.367 nan 8.360 nan 0.000 0.461 1171 T N 0.824 115.335 114.554 -0.072 0.000 2.946 1171 T HA -0.098 4.252 4.350 -0.000 0.000 0.271 1171 T C 1.208 175.948 174.700 0.066 0.000 1.104 1171 T CA 1.572 63.682 62.100 0.016 0.000 1.114 1171 T CB -0.102 68.727 68.868 -0.065 0.000 0.867 1171 T HN 0.164 nan 8.240 nan 0.000 0.513 1172 E N 0.450 120.654 120.200 0.007 0.000 2.122 1172 E HA 0.115 4.465 4.350 -0.000 0.000 0.190 1172 E C 1.858 178.540 176.600 0.137 0.000 0.977 1172 E CA 0.111 56.547 56.400 0.060 0.000 0.820 1172 E CB -0.413 29.284 29.700 -0.004 0.000 0.770 1172 E HN 0.278 nan 8.360 nan 0.000 0.462 1173 L N 0.473 121.751 121.223 0.092 0.000 2.017 1173 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 1173 L C 1.587 178.547 176.870 0.150 0.000 1.073 1173 L CA 1.457 56.370 54.840 0.121 0.000 0.745 1173 L CB -0.526 41.593 42.059 0.100 0.000 0.894 1173 L HN 0.074 nan 8.230 nan 0.000 0.432 1174 I N -0.652 119.993 120.570 0.125 0.000 2.076 1174 I HA -0.295 3.875 4.170 -0.000 0.000 0.237 1174 I C 2.448 178.643 176.117 0.130 0.000 1.059 1174 I CA 1.406 62.753 61.300 0.078 0.000 1.317 1174 I CB -1.744 36.298 38.000 0.070 0.000 1.037 1174 I HN 0.186 nan 8.210 nan 0.000 0.398 1175 F N 1.272 121.237 119.950 0.024 0.000 2.043 1175 F HA -0.337 4.190 4.527 -0.000 0.000 0.297 1175 F C 2.549 178.384 175.800 0.059 0.000 1.118 1175 F CA 2.300 60.324 58.000 0.039 0.000 1.202 1175 F CB -0.731 38.300 39.000 0.050 0.000 0.965 1175 F HN 0.105 nan 8.300 nan 0.000 0.482 1176 A N 0.089 123.084 122.820 0.291 0.000 1.865 1176 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 1176 A C 2.310 179.991 177.584 0.162 0.000 1.191 1176 A CA 1.954 54.128 52.037 0.229 0.000 0.623 1176 A CB -1.253 17.881 19.000 0.223 0.000 0.826 1176 A HN 0.443 nan 8.150 nan 0.000 0.444 1177 L N -0.770 120.551 121.223 0.163 0.000 2.013 1177 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 1177 L C 3.133 180.068 176.870 0.109 0.000 1.073 1177 L CA 1.223 56.173 54.840 0.183 0.000 0.753 1177 L CB -0.759 41.482 42.059 0.304 0.000 0.890 1177 L HN 0.476 nan 8.230 nan 0.000 0.432 1178 A N 1.092 123.923 122.820 0.019 0.000 1.971 1178 A HA -0.252 4.068 4.320 -0.000 0.000 0.222 1178 A C 1.900 179.448 177.584 -0.060 0.000 1.182 1178 A CA 2.336 54.333 52.037 -0.067 0.000 0.649 1178 A CB -0.565 18.324 19.000 -0.184 0.000 0.818 1178 A HN 0.619 nan 8.150 nan 0.000 0.458 1179 K N -1.126 119.248 120.400 -0.044 0.000 2.681 1179 K HA 0.320 4.640 4.320 -0.000 0.000 0.211 1179 K C 0.288 176.866 176.600 -0.037 0.000 1.075 1179 K CA 0.398 56.645 56.287 -0.066 0.000 1.141 1179 K CB 0.292 32.731 32.500 -0.101 0.000 0.896 1179 K HN 0.217 nan 8.250 nan 0.000 0.470 1180 T N 0.273 114.841 114.554 0.023 0.000 3.535 1180 T HA 0.060 4.410 4.350 -0.000 0.000 0.223 1180 T C 0.265 174.988 174.700 0.038 0.000 0.933 1180 T CA 0.332 62.469 62.100 0.061 0.000 1.445 1180 T CB -0.140 68.794 68.868 0.110 0.000 1.286 1180 T HN 0.307 nan 8.240 nan 0.000 0.436 1181 N N 0.909 119.634 118.700 0.041 0.000 2.405 1181 N HA 0.463 5.202 4.740 -0.000 0.000 0.269 1181 N C 0.176 175.689 175.510 0.004 0.000 1.249 1181 N CA -0.552 52.509 53.050 0.020 0.000 0.974 1181 N CB 0.475 38.970 38.487 0.012 0.000 1.204 1181 N HN 0.081 nan 8.380 nan 0.000 0.565 1182 R N 0.030 120.527 120.500 -0.005 0.000 2.559 1182 R HA 0.346 4.686 4.340 -0.000 0.000 0.448 1182 R C -0.534 175.758 176.300 -0.013 0.000 0.953 1182 R CA 0.029 56.121 56.100 -0.014 0.000 1.086 1182 R CB -0.709 29.578 30.300 -0.022 0.000 1.491 1182 R HN 0.536 nan 8.270 nan 0.000 0.597 1183 L N -1.460 119.758 121.223 -0.009 0.000 2.960 1183 L HA 0.610 4.950 4.340 -0.000 0.000 0.214 1183 L C 1.256 178.112 176.870 -0.024 0.000 1.481 1183 L CA -0.066 54.765 54.840 -0.016 0.000 2.561 1183 L CB -0.465 41.582 42.059 -0.019 0.000 2.413 1183 L HN -0.028 nan 8.230 nan 0.000 0.875 1184 A N -0.516 122.280 122.820 -0.039 0.000 2.423 1184 A HA 0.087 4.407 4.320 -0.000 0.000 0.246 1184 A C 1.273 178.802 177.584 -0.092 0.000 1.278 1184 A CA -0.010 51.992 52.037 -0.058 0.000 0.903 1184 A CB -0.453 18.507 19.000 -0.067 0.000 0.997 1184 A HN 0.542 nan 8.150 nan 0.000 0.510 1185 E N 0.199 120.362 120.200 -0.063 0.000 2.335 1185 E HA 0.208 4.558 4.350 -0.000 0.000 0.191 1185 E C 0.034 176.702 176.600 0.112 0.000 1.150 1185 E CA 0.202 56.560 56.400 -0.069 0.000 1.001 1185 E CB -0.122 29.604 29.700 0.043 0.000 1.127 1185 E HN 0.611 nan 8.360 nan 0.000 0.462 1186 L N -0.439 120.819 121.223 0.059 0.000 3.902 1186 L HA 0.158 4.498 4.340 -0.000 0.000 0.375 1186 L C 0.935 177.834 176.870 0.048 0.000 1.252 1186 L CA -0.042 54.876 54.840 0.129 0.000 1.221 1186 L CB 0.601 42.697 42.059 0.061 0.000 1.484 1186 L HN -0.020 nan 8.230 nan 0.000 0.620 1187 E N 0.617 120.813 120.200 -0.007 0.000 2.372 1187 E HA -0.053 4.297 4.350 -0.000 0.000 0.201 1187 E C 1.629 178.213 176.600 -0.028 0.000 0.938 1187 E CA 0.669 57.056 56.400 -0.020 0.000 0.944 1187 E CB 0.697 30.375 29.700 -0.036 0.000 0.937 1187 E HN 0.237 nan 8.360 nan 0.000 0.495 1188 E N -1.057 119.097 120.200 -0.076 0.000 2.431 1188 E HA 0.109 4.459 4.350 -0.000 0.000 0.200 1188 E C 0.404 176.983 176.600 -0.036 0.000 0.995 1188 E CA 0.060 56.407 56.400 -0.089 0.000 0.915 1188 E CB -0.234 29.368 29.700 -0.163 0.000 0.930 1188 E HN 0.164 nan 8.360 nan 0.000 0.496 1189 F N 0.092 120.031 119.950 -0.020 0.000 2.773 1189 F HA 0.078 4.605 4.527 -0.000 0.000 0.299 1189 F C 1.529 177.318 175.800 -0.018 0.000 1.204 1189 F CA 0.409 58.399 58.000 -0.017 0.000 1.454 1189 F CB -0.011 38.977 39.000 -0.022 0.000 1.117 1189 F HN 0.149 nan 8.300 nan 0.000 0.590 1190 I N -1.136 119.517 120.570 0.139 0.000 4.403 1190 I HA 0.112 4.282 4.170 -0.000 0.000 0.331 1190 I C 1.126 177.270 176.117 0.046 0.000 1.327 1190 I CA 0.467 61.812 61.300 0.076 0.000 1.175 1190 I CB -0.115 37.911 38.000 0.045 0.000 1.165 1190 I HN -0.075 nan 8.210 nan 0.000 0.413 1191 N N 1.553 120.274 118.700 0.035 0.000 2.375 1191 N HA 0.300 5.040 4.740 -0.000 0.000 0.220 1191 N C 0.217 175.741 175.510 0.023 0.000 1.170 1191 N CA 0.666 53.727 53.050 0.017 0.000 0.833 1191 N CB 0.292 38.778 38.487 -0.002 0.000 1.069 1191 N HN 0.358 nan 8.380 nan 0.000 0.479 1192 G N 2.306 111.130 108.800 0.041 0.000 2.423 1192 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.234 1192 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.234 1192 G C -3.235 171.705 174.900 0.066 0.000 2.480 1192 G CA -0.765 44.360 45.100 0.042 0.000 0.953 1192 G HN 0.068 nan 8.290 nan 0.000 0.575 1193 P HA 0.641 nan 4.420 nan 0.000 0.288 1193 P C 0.212 177.541 177.300 0.048 0.000 1.300 1193 P CA -0.667 62.483 63.100 0.084 0.000 0.910 1193 P CB 1.585 33.341 31.700 0.094 0.000 1.256 1194 N N -1.671 117.054 118.700 0.042 0.000 2.542 1194 N HA -0.057 4.683 4.740 -0.000 0.000 0.218 1194 N C -0.135 175.398 175.510 0.038 0.000 1.607 1194 N CA -0.243 52.826 53.050 0.031 0.000 3.190 1194 N CB -1.088 37.420 38.487 0.035 0.000 1.504 1194 N HN 0.215 nan 8.380 nan 0.000 1.106 1195 N N 1.167 119.894 118.700 0.045 0.000 2.606 1195 N HA 0.246 4.986 4.740 -0.000 0.000 0.208 1195 N C 0.407 175.947 175.510 0.049 0.000 1.046 1195 N CA 0.334 53.416 53.050 0.054 0.000 0.891 1195 N CB 0.463 38.995 38.487 0.074 0.000 1.344 1195 N HN 0.272 nan 8.380 nan 0.000 0.437 1196 A N 1.446 124.267 122.820 0.001 0.000 2.553 1196 A HA -0.098 4.222 4.320 -0.000 0.000 0.258 1196 A C -0.304 177.302 177.584 0.036 0.000 1.069 1196 A CA 0.421 52.441 52.037 -0.028 0.000 0.767 1196 A CB -0.541 18.351 19.000 -0.181 0.000 0.997 1196 A HN 0.412 nan 8.150 nan 0.000 0.512 1197 H N 4.195 123.260 119.070 -0.007 0.000 3.775 1197 H HA 0.110 4.666 4.556 -0.000 0.000 0.200 1197 H C 1.565 176.902 175.328 0.015 0.000 1.655 1197 H CA 0.487 56.541 56.048 0.011 0.000 1.359 1197 H CB -0.935 28.846 29.762 0.031 0.000 1.643 1197 H HN 0.714 nan 8.280 nan 0.000 0.706 1198 I N -1.545 118.986 120.570 -0.065 0.000 3.363 1198 I HA -0.597 3.573 4.170 -0.000 0.000 0.192 1198 I C 1.419 177.500 176.117 -0.059 0.000 0.778 1198 I CA 1.803 63.054 61.300 -0.082 0.000 1.105 1198 I CB -0.443 37.476 38.000 -0.134 0.000 0.877 1198 I HN 0.413 nan 8.210 nan 0.000 0.324 1199 Q N 0.870 120.592 119.800 -0.131 0.000 1.131 1199 Q HA -0.342 3.998 4.340 -0.000 0.000 0.728 1199 Q C 1.981 178.030 176.000 0.083 0.000 0.949 1199 Q CA 2.655 58.442 55.803 -0.028 0.000 0.850 1199 Q CB -0.993 27.753 28.738 0.013 0.000 0.916 1199 Q HN 0.767 nan 8.270 nan 0.000 0.288 1200 Q N -0.215 119.704 119.800 0.198 0.000 2.419 1200 Q HA -0.200 4.140 4.340 -0.000 0.000 0.218 1200 Q C 1.937 178.052 176.000 0.191 0.000 1.004 1200 Q CA 1.596 57.597 55.803 0.331 0.000 0.957 1200 Q CB -0.676 28.445 28.738 0.639 0.000 0.941 1200 Q HN 0.316 nan 8.270 nan 0.000 0.430 1201 V N -0.454 119.530 119.914 0.118 0.000 2.214 1201 V HA -0.312 3.808 4.120 -0.000 0.000 0.245 1201 V C 2.179 178.325 176.094 0.085 0.000 1.047 1201 V CA 2.210 64.541 62.300 0.052 0.000 0.998 1201 V CB -1.460 30.387 31.823 0.039 0.000 0.633 1201 V HN 0.592 nan 8.190 nan 0.000 0.446 1202 G N -0.186 108.688 108.800 0.124 0.000 2.513 1202 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 1202 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 1202 G C 1.199 176.194 174.900 0.158 0.000 1.160 1202 G CA 1.354 46.564 45.100 0.182 0.000 0.767 1202 G HN 0.566 nan 8.290 nan 0.000 0.571 1203 D N 0.278 120.743 120.400 0.108 0.000 2.084 1203 D HA -0.095 4.545 4.640 -0.000 0.000 0.194 1203 D C 2.508 178.874 176.300 0.109 0.000 0.990 1203 D CA 1.151 55.230 54.000 0.133 0.000 0.826 1203 D CB -0.315 40.572 40.800 0.145 0.000 0.971 1203 D HN 0.196 nan 8.370 nan 0.000 0.453 1204 R N 0.793 121.270 120.500 -0.037 0.000 2.081 1204 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 1204 R C 2.182 178.408 176.300 -0.124 0.000 1.131 1204 R CA 1.190 57.145 56.100 -0.242 0.000 0.960 1204 R CB -1.035 28.867 30.300 -0.663 0.000 0.856 1204 R HN 0.206 nan 8.270 nan 0.000 0.436 1205 C N -0.406 118.865 119.300 -0.047 0.000 2.425 1205 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 1205 C C 2.361 177.377 174.990 0.043 0.000 1.280 1205 C CA 0.729 59.730 59.018 -0.029 0.000 1.744 1205 C CB -1.243 26.486 27.740 -0.018 0.000 1.989 1205 C HN 0.556 nan 8.230 nan 0.000 0.491 1206 Y N 1.935 122.231 120.300 -0.006 0.000 2.373 1206 Y HA -0.080 4.470 4.550 -0.000 0.000 0.293 1206 Y C 1.810 177.701 175.900 -0.014 0.000 1.129 1206 Y CA 1.987 60.095 58.100 0.013 0.000 1.226 1206 Y CB -0.399 38.082 38.460 0.035 0.000 1.000 1206 Y HN 0.432 nan 8.280 nan 0.000 0.549 1207 D N -0.302 120.082 120.400 -0.028 0.000 2.328 1207 D HA 0.017 4.657 4.640 -0.000 0.000 0.226 1207 D C 0.776 176.996 176.300 -0.132 0.000 1.066 1207 D CA 0.187 54.124 54.000 -0.104 0.000 0.861 1207 D CB 0.167 40.944 40.800 -0.039 0.000 0.912 1207 D HN 0.149 nan 8.370 nan 0.000 0.521 1208 E N 0.078 120.200 120.200 -0.131 0.000 2.808 1208 E HA 0.454 4.804 4.350 -0.000 0.000 0.213 1208 E C -0.246 176.288 176.600 -0.110 0.000 0.784 1208 E CA -0.440 55.889 56.400 -0.118 0.000 1.154 1208 E CB 0.806 30.441 29.700 -0.110 0.000 1.693 1208 E HN -0.093 nan 8.360 nan 0.000 0.422 1209 K N -0.051 120.300 120.400 -0.082 0.000 3.147 1209 K HA 0.234 4.554 4.320 -0.000 0.000 0.190 1209 K C -0.653 175.930 176.600 -0.029 0.000 1.094 1209 K CA -0.273 55.978 56.287 -0.060 0.000 1.024 1209 K CB 0.796 33.258 32.500 -0.062 0.000 0.700 1209 K HN 0.164 nan 8.250 nan 0.000 0.424 1210 M N 0.309 119.894 119.600 -0.025 0.000 2.383 1210 M HA 0.276 4.756 4.480 -0.000 0.000 0.325 1210 M C -0.288 176.030 176.300 0.031 0.000 1.092 1210 M CA -0.856 54.439 55.300 -0.008 0.000 0.961 1210 M CB 1.243 33.816 32.600 -0.043 0.000 1.672 1210 M HN 0.202 nan 8.290 nan 0.000 0.438 1211 Y N 0.711 120.954 120.300 -0.095 0.000 2.423 1211 Y HA 0.255 4.805 4.550 -0.000 0.000 0.257 1211 Y C 0.606 176.444 175.900 -0.103 0.000 1.087 1211 Y CA 0.469 58.505 58.100 -0.107 0.000 1.258 1211 Y CB 0.615 39.028 38.460 -0.079 0.000 1.237 1211 Y HN 0.771 nan 8.280 nan 0.000 0.517 1212 D N 0.401 120.727 120.400 -0.124 0.000 2.392 1212 D HA 0.014 4.654 4.640 -0.000 0.000 0.228 1212 D C 1.438 177.611 176.300 -0.212 0.000 1.003 1212 D CA 1.091 55.000 54.000 -0.151 0.000 0.917 1212 D CB 0.140 40.904 40.800 -0.059 0.000 0.890 1212 D HN 0.333 nan 8.370 nan 0.000 0.532 1213 A N -0.134 122.521 122.820 -0.275 0.000 2.628 1213 A HA 0.597 4.917 4.320 -0.000 0.000 0.267 1213 A C 1.548 178.905 177.584 -0.378 0.000 1.159 1213 A CA 0.061 51.953 52.037 -0.241 0.000 0.972 1213 A CB 0.356 19.282 19.000 -0.123 0.000 1.211 1213 A HN 0.132 nan 8.150 nan 0.000 0.576 1214 A N 0.023 122.481 122.820 -0.604 0.000 2.291 1214 A HA 0.264 4.584 4.320 -0.000 0.000 0.220 1214 A C 1.667 178.821 177.584 -0.716 0.000 1.262 1214 A CA 1.226 52.713 52.037 -0.917 0.000 0.867 1214 A CB -0.174 18.277 19.000 -0.916 0.000 0.888 1214 A HN 0.286 nan 8.150 nan 0.000 0.487 1215 K N -1.163 118.994 120.400 -0.405 0.000 2.638 1215 K HA 0.115 4.435 4.320 -0.000 0.000 0.207 1215 K C 1.202 177.743 176.600 -0.097 0.000 1.429 1215 K CA 0.351 56.535 56.287 -0.171 0.000 0.957 1215 K CB -0.786 31.604 32.500 -0.183 0.000 1.733 1215 K HN 0.237 nan 8.250 nan 0.000 0.474 1216 L N 2.221 123.371 121.223 -0.120 0.000 2.661 1216 L HA -0.035 4.305 4.340 -0.000 0.000 0.236 1216 L C 1.583 178.429 176.870 -0.039 0.000 1.176 1216 L CA 1.015 55.819 54.840 -0.060 0.000 0.836 1216 L CB -0.129 41.895 42.059 -0.058 0.000 0.960 1216 L HN 0.349 nan 8.230 nan 0.000 0.455 1217 L N -3.485 117.705 121.223 -0.054 0.000 2.713 1217 L HA 0.058 4.398 4.340 -0.000 0.000 0.223 1217 L C 1.721 178.628 176.870 0.062 0.000 1.040 1217 L CA 0.343 55.172 54.840 -0.018 0.000 0.894 1217 L CB -0.636 41.386 42.059 -0.062 0.000 1.361 1217 L HN 0.070 nan 8.230 nan 0.000 0.490 1218 Y N 0.764 120.957 120.300 -0.178 0.000 2.483 1218 Y HA -0.109 4.441 4.550 -0.000 0.000 0.291 1218 Y C 1.980 177.726 175.900 -0.256 0.000 1.143 1218 Y CA 0.778 58.728 58.100 -0.250 0.000 1.289 1218 Y CB -0.599 37.676 38.460 -0.308 0.000 0.983 1218 Y HN 0.309 nan 8.280 nan 0.000 0.556 1219 N N 0.231 118.931 118.700 -0.000 0.000 2.322 1219 N HA -0.007 4.733 4.740 -0.000 0.000 0.216 1219 N C -0.198 175.309 175.510 -0.006 0.000 1.144 1219 N CA 0.225 53.274 53.050 -0.001 0.000 0.830 1219 N CB -0.196 38.314 38.487 0.038 0.000 1.034 1219 N HN 0.120 nan 8.380 nan 0.000 0.484 1220 N N -1.086 117.598 118.700 -0.025 0.000 2.073 1220 N HA 0.101 4.841 4.740 -0.000 0.000 0.227 1220 N C -1.114 174.366 175.510 -0.050 0.000 1.367 1220 N CA 0.095 53.131 53.050 -0.024 0.000 0.775 1220 N CB 1.241 39.722 38.487 -0.009 0.000 1.234 1220 N HN -0.024 nan 8.380 nan 0.000 0.512 1221 V N 0.099 119.959 119.914 -0.090 0.000 3.157 1221 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 1221 V C -1.102 174.829 176.094 -0.271 0.000 1.502 1221 V CA -0.515 61.700 62.300 -0.142 0.000 0.997 1221 V CB 1.664 33.435 31.823 -0.088 0.000 1.053 1221 V HN 0.192 nan 8.190 nan 0.000 0.482 1222 S N 0.878 116.351 115.700 -0.379 0.000 2.437 1222 S HA 0.705 5.175 4.470 -0.000 0.000 0.305 1222 S C -0.446 173.623 174.600 -0.885 0.000 1.109 1222 S CA 0.116 58.031 58.200 -0.475 0.000 1.099 1222 S CB 1.072 64.099 63.200 -0.288 0.000 1.004 1222 S HN 0.802 nan 8.310 nan 0.000 0.475 1223 N N 1.058 119.282 118.700 -0.794 0.000 2.463 1223 N HA 0.054 4.794 4.740 -0.000 0.000 0.243 1223 N C -0.114 175.051 175.510 -0.575 0.000 1.465 1223 N CA -0.036 52.415 53.050 -0.998 0.000 2.304 1223 N CB -0.938 36.429 38.487 -1.866 0.000 1.407 1223 N HN 0.451 nan 8.380 nan 0.000 0.935 1224 F N 1.270 121.157 119.950 -0.106 0.000 2.095 1224 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 1224 F C 2.587 178.439 175.800 0.087 0.000 1.104 1224 F CA 1.959 60.003 58.000 0.074 0.000 1.232 1224 F CB -0.787 38.239 39.000 0.042 0.000 0.987 1224 F HN 0.225 nan 8.300 nan 0.000 0.475 1225 G N -1.027 107.899 108.800 0.210 0.000 2.432 1225 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 1225 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 1225 G C 1.526 176.493 174.900 0.112 0.000 1.135 1225 G CA 0.274 45.423 45.100 0.083 0.000 0.767 1225 G HN 0.075 nan 8.290 nan 0.000 0.550 1226 R N -0.123 120.465 120.500 0.146 0.000 2.391 1226 R HA 0.345 4.685 4.340 -0.000 0.000 0.225 1226 R C 1.594 178.151 176.300 0.429 0.000 1.079 1226 R CA 0.042 56.301 56.100 0.265 0.000 1.147 1226 R CB -0.497 29.917 30.300 0.190 0.000 1.103 1226 R HN 0.531 nan 8.270 nan 0.000 0.499 1227 L N -3.117 118.320 121.223 0.357 0.000 2.758 1227 L HA 0.448 4.788 4.340 -0.000 0.000 0.234 1227 L C 0.958 177.988 176.870 0.267 0.000 1.049 1227 L CA 0.311 55.391 54.840 0.399 0.000 0.908 1227 L CB 0.145 42.487 42.059 0.471 0.000 1.362 1227 L HN 0.014 nan 8.230 nan 0.000 0.499 1228 A N -0.615 122.288 122.820 0.138 0.000 2.411 1228 A HA 0.439 4.759 4.320 -0.000 0.000 0.251 1228 A C 1.136 178.690 177.584 -0.050 0.000 1.317 1228 A CA 0.620 52.646 52.037 -0.018 0.000 0.904 1228 A CB -0.214 18.709 19.000 -0.128 0.000 0.993 1228 A HN 0.481 nan 8.150 nan 0.000 0.504 1229 S N -1.752 113.967 115.700 0.032 0.000 3.792 1229 S HA 0.073 4.543 4.470 -0.000 0.000 0.229 1229 S C 0.667 175.279 174.600 0.020 0.000 1.118 1229 S CA 0.116 58.344 58.200 0.047 0.000 0.877 1229 S CB 0.114 63.406 63.200 0.153 0.000 1.077 1229 S HN 0.362 nan 8.310 nan 0.000 0.546 1230 T N 4.428 119.018 114.554 0.060 0.000 2.840 1230 T HA 0.485 4.835 4.350 -0.000 0.000 0.276 1230 T C -0.770 173.924 174.700 -0.010 0.000 0.912 1230 T CA 0.338 62.429 62.100 -0.015 0.000 1.116 1230 T CB -1.195 67.666 68.868 -0.013 0.000 0.895 1230 T HN 0.468 nan 8.240 nan 0.000 0.570 1231 L N 1.400 122.588 121.223 -0.058 0.000 5.346 1231 L HA 0.174 4.514 4.340 -0.000 0.000 0.234 1231 L C -0.171 176.650 176.870 -0.082 0.000 1.179 1231 L CA -0.822 53.976 54.840 -0.069 0.000 1.130 1231 L CB -1.620 40.370 42.059 -0.114 0.000 1.624 1231 L HN 0.192 nan 8.230 nan 0.000 0.516 1232 V N 2.987 122.880 119.914 -0.035 0.000 3.708 1232 V HA -0.049 4.071 4.120 -0.000 0.000 0.296 1232 V C 1.906 178.043 176.094 0.072 0.000 1.174 1232 V CA 1.871 64.168 62.300 -0.004 0.000 1.296 1232 V CB 0.209 32.035 31.823 0.005 0.000 1.086 1232 V HN 1.214 nan 8.190 nan 0.000 0.502 1233 H N 0.246 119.285 119.070 -0.052 0.000 3.636 1233 H HA -0.162 4.394 4.556 -0.000 0.000 0.179 1233 H C 0.311 175.614 175.328 -0.041 0.000 0.968 1233 H CA 0.762 56.792 56.048 -0.031 0.000 1.220 1233 H CB -1.169 28.575 29.762 -0.030 0.000 1.023 1233 H HN 1.137 nan 8.280 nan 0.000 0.366 1234 L N 0.527 121.776 121.223 0.044 0.000 3.229 1234 L HA -0.147 4.193 4.340 -0.000 0.000 0.557 1234 L C 1.379 178.245 176.870 -0.007 0.000 1.002 1234 L CA 1.907 56.741 54.840 -0.009 0.000 1.259 1234 L CB -1.078 40.995 42.059 0.022 0.000 1.173 1234 L HN 0.537 nan 8.230 nan 0.000 0.603 1235 G N 2.415 111.109 108.800 -0.177 0.000 5.412 1235 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 1235 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 1235 G C 0.813 175.696 174.900 -0.028 0.000 1.034 1235 G CA 1.538 46.516 45.100 -0.202 0.000 0.519 1235 G HN 1.232 nan 8.290 nan 0.000 0.893 1236 E N -3.603 116.639 120.200 0.070 0.000 4.084 1236 E HA -0.304 4.046 4.350 -0.000 0.000 0.203 1236 E C 0.418 177.098 176.600 0.134 0.000 1.440 1236 E CA 1.251 57.733 56.400 0.137 0.000 2.282 1236 E CB -1.226 28.545 29.700 0.118 0.000 2.102 1236 E HN 0.442 nan 8.360 nan 0.000 0.497 1237 Y N 0.925 121.231 120.300 0.010 0.000 2.488 1237 Y HA 0.192 4.742 4.550 -0.000 0.000 0.319 1237 Y C 0.967 176.881 175.900 0.024 0.000 1.212 1237 Y CA 0.841 58.948 58.100 0.012 0.000 1.273 1237 Y CB -0.014 38.430 38.460 -0.027 0.000 1.074 1237 Y HN 0.276 nan 8.280 nan 0.000 0.503 1238 Q N 0.109 119.851 119.800 -0.097 0.000 2.188 1238 Q HA 0.433 4.773 4.340 -0.000 0.000 0.212 1238 Q C 1.052 177.018 176.000 -0.056 0.000 0.846 1238 Q CA 0.583 56.306 55.803 -0.133 0.000 0.989 1238 Q CB 0.765 29.476 28.738 -0.045 0.000 1.114 1238 Q HN 0.449 nan 8.270 nan 0.000 0.488 1239 A N -1.179 121.616 122.820 -0.042 0.000 2.600 1239 A HA 0.648 4.968 4.320 -0.000 0.000 0.252 1239 A C 1.342 178.929 177.584 0.005 0.000 1.200 1239 A CA 0.547 52.586 52.037 0.004 0.000 0.981 1239 A CB 0.361 19.350 19.000 -0.019 0.000 1.207 1239 A HN 0.230 nan 8.150 nan 0.000 0.577 1240 A N -0.364 122.452 122.820 -0.007 0.000 1.920 1240 A HA 0.272 4.592 4.320 -0.000 0.000 0.209 1240 A C 1.576 179.270 177.584 0.183 0.000 1.229 1240 A CA 1.255 53.303 52.037 0.019 0.000 0.671 1240 A CB -0.536 18.513 19.000 0.080 0.000 0.886 1240 A HN 0.446 nan 8.150 nan 0.000 0.461 1241 V N 1.068 121.029 119.914 0.078 0.000 3.284 1241 V HA -0.118 4.002 4.120 -0.000 0.000 0.273 1241 V C 0.332 176.481 176.094 0.092 0.000 1.178 1241 V CA 1.905 64.255 62.300 0.083 0.000 1.177 1241 V CB -0.817 30.979 31.823 -0.044 0.000 0.793 1241 V HN 0.501 nan 8.190 nan 0.000 0.536 1242 D N -1.509 118.957 120.400 0.110 0.000 2.615 1242 D HA 0.186 4.826 4.640 -0.000 0.000 0.274 1242 D C 1.210 177.568 176.300 0.097 0.000 1.512 1242 D CA 0.828 54.880 54.000 0.087 0.000 0.803 1242 D CB 1.258 42.103 40.800 0.075 0.000 1.182 1242 D HN 0.402 nan 8.370 nan 0.000 0.473 1243 G N 0.777 109.670 108.800 0.155 0.000 2.534 1243 G HA2 0.272 4.232 3.960 -0.000 0.000 0.220 1243 G HA3 0.272 4.232 3.960 -0.000 0.000 0.220 1243 G C 1.305 176.410 174.900 0.341 0.000 1.699 1243 G CA 0.619 45.806 45.100 0.144 0.000 0.769 1243 G HN 0.132 nan 8.290 nan 0.000 0.632 1244 A N 0.650 123.763 122.820 0.489 0.000 2.259 1244 A HA 0.065 4.385 4.320 -0.000 0.000 0.212 1244 A C 2.164 180.087 177.584 0.564 0.000 1.178 1244 A CA 1.511 54.054 52.037 0.843 0.000 0.734 1244 A CB -0.503 19.737 19.000 2.066 0.000 0.774 1244 A HN 0.407 nan 8.150 nan 0.000 0.481 1245 R N 0.794 121.576 120.500 0.470 0.000 2.091 1245 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 1245 R C 1.012 177.321 176.300 0.015 0.000 1.136 1245 R CA 1.996 58.137 56.100 0.068 0.000 0.959 1245 R CB -0.258 30.076 30.300 0.057 0.000 0.856 1245 R HN 0.515 nan 8.270 nan 0.000 0.437 1246 K N 0.185 120.600 120.400 0.025 0.000 2.404 1246 K HA 0.256 4.576 4.320 -0.000 0.000 0.194 1246 K C 0.312 176.923 176.600 0.018 0.000 1.023 1246 K CA 0.436 56.705 56.287 -0.030 0.000 1.094 1246 K CB 0.550 32.965 32.500 -0.141 0.000 0.841 1246 K HN 0.282 nan 8.250 nan 0.000 0.523 1247 A N 2.367 125.232 122.820 0.075 0.000 1.897 1247 A HA -0.234 4.086 4.320 -0.000 0.000 0.251 1247 A C -0.337 177.311 177.584 0.106 0.000 1.288 1247 A CA 0.398 52.461 52.037 0.044 0.000 0.747 1247 A CB -1.757 17.213 19.000 -0.050 0.000 1.182 1247 A HN 0.498 nan 8.150 nan 0.000 0.292 1248 N N 0.506 119.327 118.700 0.201 0.000 2.294 1248 N HA 0.358 5.098 4.740 -0.000 0.000 0.275 1248 N C 0.680 176.282 175.510 0.153 0.000 1.291 1248 N CA 0.452 53.602 53.050 0.167 0.000 0.933 1248 N CB 0.058 38.668 38.487 0.205 0.000 1.096 1248 N HN 0.551 nan 8.380 nan 0.000 0.525 1249 S N 0.393 116.164 115.700 0.117 0.000 2.546 1249 S HA 0.023 4.493 4.470 -0.000 0.000 0.290 1249 S C -0.074 174.602 174.600 0.127 0.000 1.262 1249 S CA -0.329 57.921 58.200 0.083 0.000 1.083 1249 S CB -0.786 62.444 63.200 0.049 0.000 0.859 1249 S HN 0.576 nan 8.310 nan 0.000 0.495 1250 T N 4.007 118.608 114.554 0.078 0.000 2.781 1250 T HA 0.061 4.411 4.350 -0.000 0.000 0.270 1250 T C 0.041 174.811 174.700 0.117 0.000 1.022 1250 T CA -0.226 61.921 62.100 0.078 0.000 1.144 1250 T CB -0.177 68.675 68.868 -0.027 0.000 1.039 1250 T HN 0.719 nan 8.240 nan 0.000 0.494 1251 R N 1.221 121.852 120.500 0.217 0.000 6.294 1251 R HA -0.037 4.303 4.340 -0.000 0.000 0.206 1251 R C 1.135 177.482 176.300 0.078 0.000 0.853 1251 R CA 0.946 57.120 56.100 0.123 0.000 1.381 1251 R CB -1.982 28.354 30.300 0.059 0.000 1.327 1251 R HN 1.974 nan 8.270 nan 0.000 0.706 1252 T N -4.712 109.828 114.554 -0.023 0.000 7.880 1252 T HA -0.267 4.083 4.350 -0.000 0.000 0.303 1252 T C 0.921 175.467 174.700 -0.258 0.000 2.087 1252 T CA 2.149 64.144 62.100 -0.175 0.000 3.396 1252 T CB -1.573 67.099 68.868 -0.326 0.000 1.703 1252 T HN 0.587 nan 8.240 nan 0.000 0.997 1253 W N 1.686 122.990 121.300 0.007 0.000 2.630 1253 W HA 0.491 5.151 4.660 -0.000 0.000 0.275 1253 W C 2.371 178.887 176.519 -0.005 0.000 1.192 1253 W CA 0.515 57.855 57.345 -0.008 0.000 1.410 1253 W CB 0.045 29.423 29.460 -0.137 0.000 1.075 1253 W HN 0.172 nan 8.180 nan 0.000 0.581 1254 K N 0.977 121.404 120.400 0.044 0.000 2.589 1254 K HA -0.161 4.159 4.320 -0.000 0.000 0.195 1254 K C 0.961 177.853 176.600 0.487 0.000 1.042 1254 K CA 1.161 57.471 56.287 0.039 0.000 0.940 1254 K CB -0.072 32.413 32.500 -0.025 0.000 0.776 1254 K HN 0.446 nan 8.250 nan 0.000 0.487 1255 E N -0.476 119.993 120.200 0.450 0.000 2.290 1255 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 1255 E C 1.947 178.837 176.600 0.483 0.000 0.938 1255 E CA 0.134 56.801 56.400 0.444 0.000 1.018 1255 E CB 0.011 29.838 29.700 0.213 0.000 1.042 1255 E HN -0.095 nan 8.360 nan 0.000 0.483 1256 V N 1.967 122.067 119.914 0.309 0.000 2.223 1256 V HA -0.386 3.733 4.120 -0.000 0.000 0.253 1256 V C 2.552 178.773 176.094 0.212 0.000 1.061 1256 V CA 2.228 64.654 62.300 0.210 0.000 1.035 1256 V CB -0.649 31.257 31.823 0.140 0.000 0.653 1256 V HN 0.571 nan 8.190 nan 0.000 0.454 1257 C N -0.405 119.116 119.300 0.370 0.000 2.481 1257 C HA -0.031 4.429 4.460 -0.000 0.000 0.275 1257 C C 2.541 177.534 174.990 0.005 0.000 1.419 1257 C CA 0.215 59.399 59.018 0.277 0.000 1.773 1257 C CB -1.460 26.553 27.740 0.456 0.000 1.862 1257 C HN 0.633 nan 8.230 nan 0.000 0.530 1258 F N 3.209 123.040 119.950 -0.198 0.000 2.014 1258 F HA 0.072 4.599 4.527 -0.000 0.000 0.295 1258 F C 2.145 177.845 175.800 -0.167 0.000 1.145 1258 F CA 1.947 59.695 58.000 -0.419 0.000 1.178 1258 F CB -1.189 37.728 39.000 -0.138 0.000 0.972 1258 F HN 0.125 nan 8.300 nan 0.000 0.476 1259 A N -0.656 121.740 122.820 -0.708 0.000 2.272 1259 A HA -0.102 4.218 4.320 -0.000 0.000 0.213 1259 A C 2.040 179.378 177.584 -0.409 0.000 1.183 1259 A CA 1.416 53.006 52.037 -0.744 0.000 0.719 1259 A CB -1.827 17.008 19.000 -0.275 0.000 0.771 1259 A HN 0.638 nan 8.150 nan 0.000 0.484 1260 C N -1.906 117.226 119.300 -0.281 0.000 2.611 1260 C HA 0.022 4.482 4.460 -0.000 0.000 0.283 1260 C C 2.595 177.470 174.990 -0.191 0.000 1.340 1260 C CA 0.698 59.630 59.018 -0.144 0.000 1.716 1260 C CB -0.992 26.763 27.740 0.025 0.000 2.134 1260 C HN 0.530 nan 8.230 nan 0.000 0.526 1261 V N 2.738 122.499 119.914 -0.256 0.000 2.313 1261 V HA -0.311 3.809 4.120 -0.000 0.000 0.253 1261 V C 2.047 177.932 176.094 -0.348 0.000 1.070 1261 V CA 2.842 64.889 62.300 -0.422 0.000 1.057 1261 V CB -1.319 30.015 31.823 -0.815 0.000 0.653 1261 V HN 0.708 nan 8.190 nan 0.000 0.450 1262 D N 1.514 121.704 120.400 -0.350 0.000 2.084 1262 D HA 0.079 4.719 4.640 -0.000 0.000 0.196 1262 D C 1.145 177.301 176.300 -0.240 0.000 0.985 1262 D CA 1.496 55.329 54.000 -0.278 0.000 0.826 1262 D CB -0.368 40.255 40.800 -0.295 0.000 0.978 1262 D HN 0.551 nan 8.370 nan 0.000 0.456 1263 G N -1.254 107.392 108.800 -0.255 0.000 2.448 1263 G HA2 0.481 4.441 3.960 -0.000 0.000 0.324 1263 G HA3 0.481 4.441 3.960 -0.000 0.000 0.324 1263 G C -1.094 173.649 174.900 -0.261 0.000 1.203 1263 G CA -0.738 44.219 45.100 -0.240 0.000 0.954 1263 G HN 0.386 nan 8.290 nan 0.000 0.480 1264 K N 1.327 121.511 120.400 -0.360 0.000 4.522 1264 K HA -0.124 4.196 4.320 -0.000 0.000 0.478 1264 K C -0.030 176.296 176.600 -0.456 0.000 1.162 1264 K CA 0.391 56.350 56.287 -0.546 0.000 1.206 1264 K CB -0.943 31.395 32.500 -0.268 0.000 1.680 1264 K HN 0.710 nan 8.250 nan 0.000 0.407 1265 E N 2.505 122.403 120.200 -0.505 0.000 2.303 1265 E HA 0.004 4.354 4.350 -0.000 0.000 0.211 1265 E C 0.170 176.673 176.600 -0.162 0.000 1.223 1265 E CA -0.242 56.003 56.400 -0.259 0.000 1.344 1265 E CB -0.034 29.551 29.700 -0.192 0.000 1.299 1265 E HN 0.370 nan 8.360 nan 0.000 0.441 1266 F N 0.300 120.237 119.950 -0.023 0.000 2.710 1266 F HA 0.146 4.672 4.527 -0.000 0.000 0.298 1266 F C 1.203 176.985 175.800 -0.030 0.000 1.137 1266 F CA 0.041 58.022 58.000 -0.032 0.000 1.444 1266 F CB -0.086 38.896 39.000 -0.029 0.000 1.111 1266 F HN 0.016 nan 8.300 nan 0.000 0.580 1267 R N -0.119 120.461 120.500 0.132 0.000 3.527 1267 R HA -0.167 4.173 4.340 -0.000 0.000 0.288 1267 R C 0.310 176.669 176.300 0.099 0.000 1.146 1267 R CA -0.030 56.119 56.100 0.082 0.000 0.778 1267 R CB -1.873 28.450 30.300 0.037 0.000 1.289 1267 R HN 0.303 nan 8.270 nan 0.000 0.454 1268 L N -0.816 120.502 121.223 0.159 0.000 2.627 1268 L HA 0.117 4.457 4.340 -0.000 0.000 0.233 1268 L C 1.449 178.414 176.870 0.159 0.000 1.144 1268 L CA 0.926 55.869 54.840 0.171 0.000 0.892 1268 L CB 0.275 42.475 42.059 0.234 0.000 1.039 1268 L HN 0.375 nan 8.230 nan 0.000 0.442 1269 A N -1.349 121.555 122.820 0.140 0.000 2.676 1269 A HA 0.264 4.584 4.320 -0.000 0.000 0.297 1269 A C 1.188 178.789 177.584 0.028 0.000 1.132 1269 A CA -0.224 51.910 52.037 0.162 0.000 0.972 1269 A CB 0.255 19.425 19.000 0.283 0.000 1.197 1269 A HN 0.154 nan 8.150 nan 0.000 0.524 1270 Q N -1.705 118.096 119.800 0.001 0.000 2.342 1270 Q HA 0.271 4.611 4.340 -0.000 0.000 0.261 1270 Q C 1.518 177.541 176.000 0.038 0.000 0.841 1270 Q CA 0.635 56.397 55.803 -0.067 0.000 0.969 1270 Q CB 0.149 28.814 28.738 -0.121 0.000 1.136 1270 Q HN 0.606 nan 8.270 nan 0.000 0.528 1271 M N -0.339 119.320 119.600 0.099 0.000 2.216 1271 M HA -0.013 4.467 4.480 -0.000 0.000 0.264 1271 M C 2.034 178.490 176.300 0.259 0.000 1.080 1271 M CA 1.008 56.408 55.300 0.167 0.000 1.153 1271 M CB -0.332 32.392 32.600 0.206 0.000 1.356 1271 M HN 0.259 nan 8.290 nan 0.000 0.432 1272 C N 0.501 119.942 119.300 0.234 0.000 2.466 1272 C HA 0.122 4.582 4.460 -0.000 0.000 0.283 1272 C C 2.323 177.469 174.990 0.260 0.000 1.472 1272 C CA 0.474 59.638 59.018 0.244 0.000 1.765 1272 C CB -2.147 25.720 27.740 0.211 0.000 1.724 1272 C HN 0.672 nan 8.230 nan 0.000 0.560 1273 G N 1.044 109.964 108.800 0.201 0.000 2.662 1273 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.215 1273 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.215 1273 G C 1.140 176.120 174.900 0.133 0.000 1.310 1273 G CA 0.895 46.102 45.100 0.179 0.000 0.849 1273 G HN 0.409 nan 8.290 nan 0.000 0.568 1274 L N 0.725 122.004 121.223 0.094 0.000 2.351 1274 L HA -0.054 4.286 4.340 -0.000 0.000 0.220 1274 L C 2.390 179.266 176.870 0.011 0.000 1.127 1274 L CA 1.119 55.978 54.840 0.033 0.000 0.786 1274 L CB -0.987 41.074 42.059 0.002 0.000 0.914 1274 L HN 0.310 nan 8.230 nan 0.000 0.443 1275 H N 1.052 120.109 119.070 -0.021 0.000 2.253 1275 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 1275 H C 2.261 177.460 175.328 -0.216 0.000 1.064 1275 H CA 2.366 58.387 56.048 -0.044 0.000 1.264 1275 H CB -0.091 29.707 29.762 0.060 0.000 1.371 1275 H HN 0.449 nan 8.280 nan 0.000 0.493 1276 I N 0.484 120.969 120.570 -0.141 0.000 2.493 1276 I HA -0.134 4.036 4.170 -0.000 0.000 0.254 1276 I C 2.468 178.249 176.117 -0.559 0.000 1.160 1276 I CA 1.305 62.063 61.300 -0.902 0.000 1.445 1276 I CB -0.570 36.838 38.000 -0.987 0.000 1.086 1276 I HN 0.099 nan 8.210 nan 0.000 0.433 1277 V N 0.294 120.095 119.914 -0.189 0.000 2.223 1277 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 1277 V C 2.021 178.122 176.094 0.012 0.000 1.045 1277 V CA 1.377 63.718 62.300 0.067 0.000 1.000 1277 V CB -1.677 30.184 31.823 0.063 0.000 0.635 1277 V HN 0.296 nan 8.190 nan 0.000 0.445 1278 V N 3.795 123.631 119.914 -0.130 0.000 4.655 1278 V HA -0.280 3.840 4.120 -0.000 0.000 0.156 1278 V C 1.331 177.350 176.094 -0.124 0.000 0.688 1278 V CA 1.774 63.982 62.300 -0.153 0.000 0.814 1278 V CB -2.931 28.812 31.823 -0.133 0.000 0.747 1278 V HN 1.035 nan 8.190 nan 0.000 0.622 1279 H N -0.780 118.222 119.070 -0.114 0.000 3.542 1279 H HA 0.916 5.472 4.556 -0.000 0.000 0.159 1279 H C 0.570 175.867 175.328 -0.050 0.000 1.583 1279 H CA -0.009 55.980 56.048 -0.099 0.000 1.628 1279 H CB 1.481 31.172 29.762 -0.119 0.000 0.792 1279 H HN 0.299 nan 8.280 nan 0.000 0.810 1280 A N 0.277 123.186 122.820 0.149 0.000 2.448 1280 A HA -0.018 4.302 4.320 -0.000 0.000 0.137 1280 A C 1.061 178.717 177.584 0.121 0.000 1.514 1280 A CA 0.627 52.708 52.037 0.074 0.000 2.556 1280 A CB -1.030 17.955 19.000 -0.025 0.000 2.652 1280 A HN 0.680 nan 8.150 nan 0.000 1.134 1281 D N 1.029 121.362 120.400 -0.111 0.000 2.322 1281 D HA -0.091 4.549 4.640 -0.000 0.000 0.210 1281 D C 0.604 176.887 176.300 -0.030 0.000 0.983 1281 D CA 1.731 55.604 54.000 -0.212 0.000 0.902 1281 D CB -0.158 40.539 40.800 -0.172 0.000 0.905 1281 D HN 0.475 nan 8.370 nan 0.000 0.483 1282 E N -0.963 119.272 120.200 0.059 0.000 2.383 1282 E HA 0.363 4.713 4.350 -0.000 0.000 0.264 1282 E C -0.161 176.414 176.600 -0.041 0.000 1.050 1282 E CA -0.150 56.210 56.400 -0.067 0.000 0.896 1282 E CB 0.696 30.227 29.700 -0.283 0.000 0.982 1282 E HN 0.190 nan 8.360 nan 0.000 0.424 1283 L N 2.889 124.058 121.223 -0.089 0.000 5.773 1283 L HA -0.001 4.339 4.340 -0.000 0.000 0.594 1283 L C 0.692 177.563 176.870 0.003 0.000 0.567 1283 L CA 0.151 54.989 54.840 -0.004 0.000 2.513 1283 L CB -0.660 41.487 42.059 0.147 0.000 1.856 1283 L HN 0.642 nan 8.230 nan 0.000 0.551 1284 E N 0.743 120.927 120.200 -0.027 0.000 2.132 1284 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 1284 E C 1.504 178.090 176.600 -0.023 0.000 0.951 1284 E CA 1.072 57.468 56.400 -0.008 0.000 0.843 1284 E CB 0.535 30.230 29.700 -0.008 0.000 0.807 1284 E HN 0.560 nan 8.360 nan 0.000 0.467 1285 E N 0.449 120.610 120.200 -0.066 0.000 2.268 1285 E HA -0.144 4.205 4.350 -0.000 0.000 0.195 1285 E C 1.689 178.231 176.600 -0.097 0.000 0.995 1285 E CA 0.252 56.604 56.400 -0.080 0.000 0.836 1285 E CB 0.031 29.661 29.700 -0.117 0.000 0.763 1285 E HN 0.075 nan 8.360 nan 0.000 0.491 1286 L N 1.460 122.613 121.223 -0.116 0.000 2.693 1286 L HA 0.101 4.441 4.340 -0.000 0.000 0.242 1286 L C 0.734 177.634 176.870 0.050 0.000 1.157 1286 L CA 0.609 55.382 54.840 -0.112 0.000 0.929 1286 L CB -0.017 41.944 42.059 -0.164 0.000 1.103 1286 L HN 0.224 nan 8.230 nan 0.000 0.430 1287 I N -3.795 116.826 120.570 0.086 0.000 3.007 1287 I HA 0.483 4.653 4.170 -0.000 0.000 0.333 1287 I C -0.159 176.046 176.117 0.146 0.000 1.489 1287 I CA -0.107 61.285 61.300 0.153 0.000 0.906 1287 I CB -0.151 37.928 38.000 0.131 0.000 1.702 1287 I HN -0.046 nan 8.210 nan 0.000 0.548 1288 N N 0.474 119.273 118.700 0.166 0.000 2.036 1288 N HA 0.048 4.788 4.740 -0.000 0.000 0.224 1288 N C -0.056 175.566 175.510 0.187 0.000 1.381 1288 N CA 0.003 53.132 53.050 0.130 0.000 0.746 1288 N CB 0.698 39.226 38.487 0.067 0.000 1.213 1288 N HN 0.591 nan 8.380 nan 0.000 0.524 1289 Y N -0.692 119.663 120.300 0.091 0.000 2.540 1289 Y HA 0.286 4.836 4.550 -0.000 0.000 0.257 1289 Y C 0.028 176.102 175.900 0.290 0.000 1.090 1289 Y CA 0.082 58.260 58.100 0.129 0.000 1.242 1289 Y CB 0.518 38.994 38.460 0.027 0.000 1.325 1289 Y HN -0.126 nan 8.280 nan 0.000 0.544 1290 Y N 0.971 121.416 120.300 0.241 0.000 2.675 1290 Y HA 0.339 4.889 4.550 -0.000 0.000 0.248 1290 Y C 0.846 176.843 175.900 0.161 0.000 1.161 1290 Y CA -0.396 57.830 58.100 0.209 0.000 1.203 1290 Y CB 0.320 38.941 38.460 0.268 0.000 1.262 1290 Y HN 0.343 nan 8.280 nan 0.000 0.544 1291 Q N -1.211 118.749 119.800 0.266 0.000 2.517 1291 Q HA 0.051 4.391 4.340 -0.000 0.000 0.188 1291 Q C 1.113 177.185 176.000 0.120 0.000 0.736 1291 Q CA 0.031 55.944 55.803 0.183 0.000 0.834 1291 Q CB 0.428 29.270 28.738 0.173 0.000 1.198 1291 Q HN -0.007 nan 8.270 nan 0.000 0.596 1292 D N 1.336 121.802 120.400 0.110 0.000 2.244 1292 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 1292 D C 1.737 178.074 176.300 0.061 0.000 1.006 1292 D CA 1.447 55.498 54.000 0.085 0.000 0.888 1292 D CB 0.056 40.911 40.800 0.091 0.000 0.912 1292 D HN 0.215 nan 8.370 nan 0.000 0.452 1293 R N -0.505 120.018 120.500 0.038 0.000 2.195 1293 R HA 0.282 4.622 4.340 -0.000 0.000 0.197 1293 R C 1.071 177.298 176.300 -0.122 0.000 0.990 1293 R CA 0.671 56.731 56.100 -0.066 0.000 1.048 1293 R CB 0.757 30.964 30.300 -0.155 0.000 0.997 1293 R HN 0.110 nan 8.270 nan 0.000 0.502 1294 G N 0.282 109.038 108.800 -0.074 0.000 2.907 1294 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 1294 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 1294 G C -0.932 173.803 174.900 -0.274 0.000 1.115 1294 G CA -0.612 44.486 45.100 -0.002 0.000 0.760 1294 G HN 0.182 nan 8.290 nan 0.000 0.620 1295 Y N 1.424 121.476 120.300 -0.413 0.000 3.166 1295 Y HA 0.269 4.819 4.550 -0.000 0.000 0.152 1295 Y C 2.098 176.906 175.900 -1.819 0.000 0.984 1295 Y CA 0.942 58.417 58.100 -1.042 0.000 1.848 1295 Y CB -1.059 36.989 38.460 -0.687 0.000 1.348 1295 Y HN 1.547 nan 8.280 nan 0.000 0.270 1296 F N -0.704 119.104 119.950 -0.236 0.000 2.360 1296 F HA -0.452 4.075 4.527 -0.000 0.000 0.355 1296 F C 1.494 177.156 175.800 -0.229 0.000 1.410 1296 F CA 1.012 58.853 58.000 -0.266 0.000 1.895 1296 F CB -1.852 36.960 39.000 -0.313 0.000 0.892 1296 F HN 0.134 nan 8.300 nan 0.000 0.204 1297 E N 1.029 121.292 120.200 0.104 0.000 2.914 1297 E HA -0.352 3.998 4.350 -0.000 0.000 0.218 1297 E C 1.637 178.165 176.600 -0.120 0.000 0.897 1297 E CA 2.454 58.850 56.400 -0.007 0.000 1.465 1297 E CB -1.309 28.351 29.700 -0.067 0.000 1.468 1297 E HN 0.789 nan 8.360 nan 0.000 0.462 1298 E N 0.286 120.327 120.200 -0.266 0.000 2.219 1298 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 1298 E C 2.204 178.706 176.600 -0.164 0.000 0.998 1298 E CA 0.853 57.105 56.400 -0.246 0.000 0.818 1298 E CB -0.324 29.130 29.700 -0.411 0.000 0.741 1298 E HN 0.256 nan 8.360 nan 0.000 0.477 1299 L N 0.951 122.033 121.223 -0.235 0.000 2.162 1299 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 1299 L C 2.117 179.020 176.870 0.056 0.000 1.086 1299 L CA 0.994 55.785 54.840 -0.083 0.000 0.778 1299 L CB -0.305 41.564 42.059 -0.317 0.000 0.928 1299 L HN 0.121 nan 8.230 nan 0.000 0.446 1300 I N -3.956 116.645 120.570 0.052 0.000 3.680 1300 I HA 0.089 4.259 4.170 -0.000 0.000 0.306 1300 I C 0.355 176.535 176.117 0.106 0.000 1.260 1300 I CA 0.734 62.112 61.300 0.129 0.000 1.201 1300 I CB -0.652 37.436 38.000 0.147 0.000 1.009 1300 I HN 0.078 nan 8.210 nan 0.000 0.467 1301 T N -0.299 114.287 114.554 0.053 0.000 3.087 1301 T HA 0.232 4.582 4.350 -0.000 0.000 0.283 1301 T C 1.303 176.017 174.700 0.024 0.000 0.956 1301 T CA -0.208 61.913 62.100 0.035 0.000 0.894 1301 T CB 0.433 69.302 68.868 0.003 0.000 1.160 1301 T HN 0.256 nan 8.240 nan 0.000 0.532 1302 M N 1.904 121.527 119.600 0.038 0.000 2.398 1302 M HA 0.242 4.722 4.480 -0.000 0.000 0.261 1302 M C 1.728 178.034 176.300 0.009 0.000 1.125 1302 M CA 1.338 56.656 55.300 0.030 0.000 1.183 1302 M CB -0.757 31.887 32.600 0.073 0.000 1.322 1302 M HN 0.250 nan 8.290 nan 0.000 0.467 1303 L N -0.049 121.190 121.223 0.027 0.000 2.263 1303 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 1303 L C 1.884 178.718 176.870 -0.060 0.000 1.111 1303 L CA 1.134 55.965 54.840 -0.015 0.000 0.773 1303 L CB -1.433 40.629 42.059 0.005 0.000 0.906 1303 L HN 0.307 nan 8.230 nan 0.000 0.439 1304 E N 0.579 120.765 120.200 -0.023 0.000 2.393 1304 E HA -0.212 4.138 4.350 -0.000 0.000 0.201 1304 E C 1.834 178.400 176.600 -0.056 0.000 1.025 1304 E CA 1.282 57.663 56.400 -0.031 0.000 0.856 1304 E CB 0.082 29.787 29.700 0.009 0.000 0.771 1304 E HN 0.713 nan 8.360 nan 0.000 0.526 1305 A N 0.073 122.858 122.820 -0.060 0.000 1.917 1305 A HA 0.405 4.725 4.320 -0.000 0.000 0.200 1305 A C 2.156 179.696 177.584 -0.072 0.000 1.671 1305 A CA 0.536 52.536 52.037 -0.060 0.000 1.034 1305 A CB -0.209 18.764 19.000 -0.046 0.000 1.057 1305 A HN 0.177 nan 8.150 nan 0.000 0.507 1306 A N 0.010 122.784 122.820 -0.075 0.000 2.032 1306 A HA -0.073 4.247 4.320 -0.000 0.000 0.221 1306 A C 1.750 179.295 177.584 -0.064 0.000 1.165 1306 A CA 1.797 53.788 52.037 -0.075 0.000 0.645 1306 A CB -0.507 18.437 19.000 -0.093 0.000 0.807 1306 A HN 0.402 nan 8.150 nan 0.000 0.453 1307 L N -1.008 120.150 121.223 -0.109 0.000 2.395 1307 L HA 0.091 4.431 4.340 -0.000 0.000 0.218 1307 L C 2.406 179.215 176.870 -0.102 0.000 1.130 1307 L CA 1.425 56.183 54.840 -0.136 0.000 0.826 1307 L CB -0.637 41.177 42.059 -0.409 0.000 0.941 1307 L HN 0.374 nan 8.230 nan 0.000 0.451 1308 G N -1.473 107.275 108.800 -0.087 0.000 2.887 1308 G HA2 0.150 4.110 3.960 -0.000 0.000 0.211 1308 G HA3 0.150 4.110 3.960 -0.000 0.000 0.211 1308 G C 0.838 175.726 174.900 -0.021 0.000 1.152 1308 G CA -0.322 44.746 45.100 -0.052 0.000 0.769 1308 G HN 0.140 nan 8.290 nan 0.000 0.541 1309 L N 0.261 121.472 121.223 -0.020 0.000 2.472 1309 L HA 0.051 4.391 4.340 -0.000 0.000 0.273 1309 L C 1.793 178.667 176.870 0.006 0.000 1.254 1309 L CA -0.034 54.800 54.840 -0.010 0.000 0.823 1309 L CB 0.494 42.544 42.059 -0.014 0.000 1.096 1309 L HN 0.142 nan 8.230 nan 0.000 0.521 1310 E N 0.353 120.555 120.200 0.003 0.000 2.516 1310 E HA -0.122 4.228 4.350 -0.000 0.000 0.199 1310 E C 1.007 177.617 176.600 0.016 0.000 1.069 1310 E CA 0.473 56.878 56.400 0.008 0.000 0.876 1310 E CB 0.300 30.000 29.700 0.000 0.000 0.843 1310 E HN 0.371 nan 8.360 nan 0.000 0.530 1311 R N -0.127 120.389 120.500 0.026 0.000 2.727 1311 R HA 0.298 4.638 4.340 -0.000 0.000 0.410 1311 R C -0.971 175.394 176.300 0.108 0.000 1.101 1311 R CA -0.021 56.104 56.100 0.041 0.000 1.045 1311 R CB 0.818 31.128 30.300 0.016 0.000 1.380 1311 R HN -0.001 nan 8.270 nan 0.000 0.587 1312 A N 1.017 123.902 122.820 0.108 0.000 2.363 1312 A HA 0.377 4.697 4.320 -0.000 0.000 0.270 1312 A C -0.257 177.410 177.584 0.139 0.000 1.121 1312 A CA -0.452 51.674 52.037 0.148 0.000 0.800 1312 A CB 0.117 19.198 19.000 0.134 0.000 1.052 1312 A HN 0.603 nan 8.150 nan 0.000 0.493 1313 H N 0.938 119.985 119.070 -0.038 0.000 3.424 1313 H HA 0.481 5.037 4.556 -0.000 0.000 0.249 1313 H C 1.027 176.165 175.328 -0.317 0.000 1.664 1313 H CA -0.357 55.610 56.048 -0.135 0.000 1.629 1313 H CB 0.438 30.152 29.762 -0.080 0.000 1.444 1313 H HN 0.579 nan 8.280 nan 0.000 0.927 1314 M N 0.223 119.698 119.600 -0.207 0.000 2.191 1314 M HA 0.106 4.586 4.480 -0.000 0.000 0.262 1314 M C 2.147 178.300 176.300 -0.246 0.000 1.083 1314 M CA 1.784 56.870 55.300 -0.356 0.000 1.154 1314 M CB -0.600 31.890 32.600 -0.184 0.000 1.344 1314 M HN 0.730 nan 8.290 nan 0.000 0.431 1315 G N 1.385 110.150 108.800 -0.059 0.000 2.547 1315 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.221 1315 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.221 1315 G C 1.359 176.244 174.900 -0.026 0.000 1.140 1315 G CA 1.605 46.712 45.100 0.010 0.000 0.760 1315 G HN 0.511 nan 8.290 nan 0.000 0.583 1316 M N -0.140 119.356 119.600 -0.173 0.000 2.399 1316 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 1316 M C 2.489 178.901 176.300 0.187 0.000 1.067 1316 M CA 2.019 57.312 55.300 -0.012 0.000 1.084 1316 M CB -1.096 31.480 32.600 -0.040 0.000 1.252 1316 M HN 0.283 nan 8.290 nan 0.000 0.454 1317 F N 0.313 120.174 119.950 -0.149 0.000 2.111 1317 F HA -0.289 4.238 4.527 -0.000 0.000 0.300 1317 F C 2.672 178.480 175.800 0.013 0.000 1.088 1317 F CA 1.136 59.125 58.000 -0.019 0.000 1.243 1317 F CB -1.350 37.655 39.000 0.008 0.000 0.996 1317 F HN 0.293 nan 8.300 nan 0.000 0.483 1318 T N -0.095 114.573 114.554 0.191 0.000 2.569 1318 T HA -0.190 4.160 4.350 -0.000 0.000 0.263 1318 T C 1.739 176.463 174.700 0.041 0.000 1.074 1318 T CA 1.625 63.775 62.100 0.083 0.000 1.176 1318 T CB -0.384 68.513 68.868 0.049 0.000 0.863 1318 T HN 0.169 nan 8.240 nan 0.000 0.410 1319 E N 1.305 121.540 120.200 0.059 0.000 2.130 1319 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 1319 E C 2.215 178.854 176.600 0.064 0.000 0.998 1319 E CA 0.633 57.075 56.400 0.070 0.000 0.806 1319 E CB -0.841 28.918 29.700 0.099 0.000 0.738 1319 E HN 0.326 nan 8.360 nan 0.000 0.459 1320 L N 0.966 122.211 121.223 0.037 0.000 2.081 1320 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 1320 L C 2.142 178.957 176.870 -0.092 0.000 1.080 1320 L CA 2.182 57.015 54.840 -0.012 0.000 0.754 1320 L CB -0.736 41.269 42.059 -0.090 0.000 0.893 1320 L HN 0.074 nan 8.230 nan 0.000 0.433 1321 A N -0.250 122.460 122.820 -0.183 0.000 1.897 1321 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 1321 A C 2.200 179.756 177.584 -0.047 0.000 1.181 1321 A CA 1.652 53.558 52.037 -0.218 0.000 0.620 1321 A CB -0.859 17.994 19.000 -0.245 0.000 0.821 1321 A HN 0.527 nan 8.150 nan 0.000 0.443 1322 I N -0.217 120.347 120.570 -0.011 0.000 2.502 1322 I HA -0.292 3.878 4.170 -0.000 0.000 0.258 1322 I C 2.062 178.203 176.117 0.040 0.000 1.172 1322 I CA 0.943 62.240 61.300 -0.005 0.000 1.430 1322 I CB -0.358 37.673 38.000 0.052 0.000 1.086 1322 I HN 0.319 nan 8.210 nan 0.000 0.440 1323 L N -1.470 119.873 121.223 0.200 0.000 2.185 1323 L HA -0.067 4.273 4.340 -0.000 0.000 0.198 1323 L C 2.387 179.490 176.870 0.388 0.000 1.079 1323 L CA 0.682 55.804 54.840 0.470 0.000 0.780 1323 L CB -0.858 41.465 42.059 0.440 0.000 0.955 1323 L HN 0.015 nan 8.230 nan 0.000 0.462 1324 Y N 1.413 121.746 120.300 0.054 0.000 2.365 1324 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 1324 Y C 2.986 178.832 175.900 -0.091 0.000 1.162 1324 Y CA 0.962 59.062 58.100 0.000 0.000 1.260 1324 Y CB -0.903 37.526 38.460 -0.053 0.000 0.976 1324 Y HN 0.338 nan 8.280 nan 0.000 0.548 1325 S N 0.846 116.517 115.700 -0.048 0.000 2.361 1325 S HA -0.157 4.313 4.470 -0.000 0.000 0.214 1325 S C 1.003 175.396 174.600 -0.344 0.000 1.034 1325 S CA 0.993 59.060 58.200 -0.221 0.000 1.025 1325 S CB -0.581 62.456 63.200 -0.272 0.000 0.996 1325 S HN 0.446 nan 8.310 nan 0.000 0.422 1326 K N 0.612 120.635 120.400 -0.629 0.000 2.432 1326 K HA 0.543 4.863 4.320 -0.000 0.000 0.226 1326 K C -1.307 174.522 176.600 -1.286 0.000 1.057 1326 K CA -0.525 55.369 56.287 -0.654 0.000 1.034 1326 K CB 0.251 32.336 32.500 -0.692 0.000 1.561 1326 K HN 0.403 nan 8.250 nan 0.000 0.492 1327 F N -0.002 119.889 119.950 -0.099 0.000 2.057 1327 F HA 0.163 4.690 4.527 -0.000 0.000 0.235 1327 F C -0.638 175.090 175.800 -0.121 0.000 1.305 1327 F CA -0.802 57.123 58.000 -0.126 0.000 1.102 1327 F CB -0.069 38.846 39.000 -0.141 0.000 2.159 1327 F HN 0.022 nan 8.300 nan 0.000 0.112 1328 K N 3.233 123.687 120.400 0.089 0.000 2.307 1328 K HA 0.183 4.503 4.320 -0.000 0.000 0.285 1328 K C -2.266 174.284 176.600 -0.084 0.000 1.073 1328 K CA -1.031 55.218 56.287 -0.063 0.000 0.996 1328 K CB 0.589 32.967 32.500 -0.204 0.000 0.994 1328 K HN -0.007 nan 8.250 nan 0.000 0.452 1329 P HA -0.258 nan 4.420 nan 0.000 0.197 1329 P C 0.905 178.190 177.300 -0.025 0.000 1.076 1329 P CA 0.660 63.740 63.100 -0.032 0.000 0.876 1329 P CB 0.024 31.715 31.700 -0.016 0.000 0.705 1330 Q N 0.394 120.184 119.800 -0.017 0.000 2.473 1330 Q HA -0.406 3.934 4.340 -0.000 0.000 0.238 1330 Q C 1.667 177.670 176.000 0.006 0.000 1.088 1330 Q CA 2.531 58.328 55.803 -0.009 0.000 0.989 1330 Q CB -1.960 26.765 28.738 -0.021 0.000 0.972 1330 Q HN 0.178 nan 8.270 nan 0.000 0.543 1331 K N 0.472 120.861 120.400 -0.018 0.000 2.160 1331 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 1331 K C 2.242 178.988 176.600 0.243 0.000 1.047 1331 K CA 1.653 57.973 56.287 0.055 0.000 0.930 1331 K CB -0.430 32.028 32.500 -0.070 0.000 0.720 1331 K HN 0.447 nan 8.250 nan 0.000 0.450 1332 M N 1.764 121.498 119.600 0.222 0.000 2.128 1332 M HA -0.300 4.180 4.480 -0.000 0.000 0.253 1332 M C 2.058 178.483 176.300 0.207 0.000 1.079 1332 M CA 1.896 57.414 55.300 0.364 0.000 1.082 1332 M CB -0.456 32.232 32.600 0.147 0.000 1.335 1332 M HN 0.134 nan 8.290 nan 0.000 0.401 1333 R N -0.226 120.332 120.500 0.097 0.000 2.062 1333 R HA -0.174 4.166 4.340 -0.000 0.000 0.229 1333 R C 2.030 178.325 176.300 -0.008 0.000 1.128 1333 R CA 1.848 57.950 56.100 0.004 0.000 0.960 1333 R CB -0.373 29.899 30.300 -0.045 0.000 0.855 1333 R HN 0.381 nan 8.270 nan 0.000 0.432 1334 E N 0.102 120.325 120.200 0.037 0.000 2.113 1334 E HA -0.312 4.038 4.350 -0.000 0.000 0.210 1334 E C 1.807 178.397 176.600 -0.016 0.000 1.040 1334 E CA 2.139 58.547 56.400 0.013 0.000 0.847 1334 E CB -0.354 29.406 29.700 0.100 0.000 0.755 1334 E HN 0.453 nan 8.360 nan 0.000 0.459 1335 H N 0.487 119.566 119.070 0.016 0.000 2.253 1335 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 1335 H C 2.205 177.451 175.328 -0.138 0.000 1.064 1335 H CA 2.164 58.206 56.048 -0.010 0.000 1.264 1335 H CB -0.702 29.032 29.762 -0.046 0.000 1.371 1335 H HN 0.216 nan 8.280 nan 0.000 0.493 1336 L N 0.331 121.813 121.223 0.432 0.000 1.976 1336 L HA -0.245 4.095 4.340 -0.000 0.000 0.223 1336 L C 2.710 179.539 176.870 -0.068 0.000 1.081 1336 L CA 2.136 57.148 54.840 0.286 0.000 0.784 1336 L CB -1.048 41.091 42.059 0.133 0.000 0.896 1336 L HN 0.291 nan 8.230 nan 0.000 0.438 1337 E N 0.279 120.285 120.200 -0.322 0.000 2.253 1337 E HA -0.222 4.128 4.350 -0.000 0.000 0.202 1337 E C 1.955 178.297 176.600 -0.431 0.000 1.014 1337 E CA 1.447 57.519 56.400 -0.547 0.000 0.823 1337 E CB -0.139 29.245 29.700 -0.525 0.000 0.736 1337 E HN 0.460 nan 8.360 nan 0.000 0.478 1338 L N -1.486 119.434 121.223 -0.504 0.000 2.185 1338 L HA 0.119 4.459 4.340 -0.000 0.000 0.198 1338 L C 0.205 176.812 176.870 -0.438 0.000 1.079 1338 L CA 0.110 54.517 54.840 -0.721 0.000 0.780 1338 L CB 0.050 41.146 42.059 -1.605 0.000 0.955 1338 L HN 0.011 nan 8.230 nan 0.000 0.462 1339 F N 0.192 120.172 119.950 0.049 0.000 2.359 1339 F HA 0.137 4.664 4.527 -0.000 0.000 0.355 1339 F C 0.546 176.594 175.800 0.413 0.000 1.132 1339 F CA -1.097 57.018 58.000 0.191 0.000 1.246 1339 F CB -0.176 38.769 39.000 -0.091 0.000 1.569 1339 F HN 0.202 nan 8.300 nan 0.000 0.561 1340 W N -0.645 120.774 121.300 0.198 0.000 2.866 1340 W HA 0.203 4.863 4.660 -0.000 0.000 0.258 1340 W C 1.613 178.204 176.519 0.120 0.000 1.183 1340 W CA 0.664 58.116 57.345 0.178 0.000 1.451 1340 W CB -1.166 28.399 29.460 0.176 0.000 0.959 1340 W HN 0.361 nan 8.180 nan 0.000 0.622 1341 S N 1.987 117.492 115.700 -0.324 0.000 2.335 1341 S HA -0.037 4.433 4.470 -0.000 0.000 0.217 1341 S C 1.102 175.597 174.600 -0.176 0.000 1.032 1341 S CA 0.735 58.699 58.200 -0.393 0.000 0.985 1341 S CB -0.396 62.490 63.200 -0.524 0.000 0.896 1341 S HN 0.181 nan 8.310 nan 0.000 0.445 1342 R N 1.141 121.570 120.500 -0.118 0.000 3.688 1342 R HA 0.459 4.799 4.340 -0.000 0.000 0.194 1342 R C -0.835 175.344 176.300 -0.201 0.000 1.677 1342 R CA -0.060 55.882 56.100 -0.263 0.000 1.351 1342 R CB 0.058 30.036 30.300 -0.537 0.000 1.338 1342 R HN 0.214 nan 8.270 nan 0.000 0.731 1343 V N 0.584 120.443 119.914 -0.090 0.000 3.121 1343 V HA 0.069 4.189 4.120 -0.000 0.000 0.263 1343 V C -1.376 174.719 176.094 0.002 0.000 1.795 1343 V CA -1.130 61.172 62.300 0.003 0.000 0.979 1343 V CB 2.256 34.183 31.823 0.174 0.000 1.335 1343 V HN 0.697 nan 8.190 nan 0.000 0.462 1344 N N 3.410 122.121 118.700 0.018 0.000 2.379 1344 N HA 0.415 5.155 4.740 -0.000 0.000 0.260 1344 N C 0.061 175.602 175.510 0.052 0.000 1.254 1344 N CA 0.185 53.246 53.050 0.018 0.000 0.958 1344 N CB 1.477 39.976 38.487 0.021 0.000 1.208 1344 N HN 0.694 nan 8.380 nan 0.000 0.532 1345 I N -1.051 119.564 120.570 0.075 0.000 4.547 1345 I HA 0.136 4.306 4.170 -0.000 0.000 0.303 1345 I C -1.272 174.961 176.117 0.193 0.000 1.188 1345 I CA 0.022 61.418 61.300 0.160 0.000 1.320 1345 I CB -1.560 36.580 38.000 0.233 0.000 1.495 1345 I HN 0.384 nan 8.210 nan 0.000 0.462 1346 P HA -0.207 nan 4.420 nan 0.000 0.214 1346 P C 1.648 178.986 177.300 0.064 0.000 1.162 1346 P CA 1.757 64.942 63.100 0.142 0.000 0.879 1346 P CB 0.087 31.867 31.700 0.133 0.000 0.786 1347 K N 0.938 121.368 120.400 0.049 0.000 2.032 1347 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 1347 K C 1.993 178.594 176.600 0.001 0.000 1.048 1347 K CA 1.485 57.785 56.287 0.022 0.000 0.927 1347 K CB -1.227 31.286 32.500 0.022 0.000 0.712 1347 K HN -0.035 nan 8.250 nan 0.000 0.441 1348 V N 2.374 122.290 119.914 0.004 0.000 2.380 1348 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 1348 V C 2.583 178.639 176.094 -0.065 0.000 1.063 1348 V CA 1.698 63.981 62.300 -0.027 0.000 1.055 1348 V CB -0.471 31.345 31.823 -0.011 0.000 0.657 1348 V HN 0.290 nan 8.190 nan 0.000 0.455 1349 L N -0.748 120.442 121.223 -0.055 0.000 2.353 1349 L HA -0.117 4.223 4.340 -0.000 0.000 0.220 1349 L C 2.177 179.001 176.870 -0.076 0.000 1.133 1349 L CA 0.985 55.774 54.840 -0.084 0.000 0.798 1349 L CB -0.287 41.744 42.059 -0.046 0.000 0.922 1349 L HN 0.222 nan 8.230 nan 0.000 0.445 1350 R N -0.664 119.800 120.500 -0.060 0.000 2.466 1350 R HA 0.225 4.565 4.340 -0.000 0.000 0.279 1350 R C 0.835 177.077 176.300 -0.096 0.000 0.976 1350 R CA 0.489 56.550 56.100 -0.065 0.000 1.081 1350 R CB 0.244 30.523 30.300 -0.034 0.000 1.215 1350 R HN 0.166 nan 8.270 nan 0.000 0.546 1351 A N -1.940 120.808 122.820 -0.121 0.000 2.474 1351 A HA 0.509 4.829 4.320 -0.000 0.000 0.221 1351 A C 1.333 178.797 177.584 -0.200 0.000 1.298 1351 A CA 0.460 52.406 52.037 -0.153 0.000 1.008 1351 A CB 0.318 19.250 19.000 -0.113 0.000 1.217 1351 A HN 0.206 nan 8.150 nan 0.000 0.553 1352 A N 0.203 122.908 122.820 -0.191 0.000 1.944 1352 A HA 0.281 4.601 4.320 -0.000 0.000 0.209 1352 A C 1.529 178.937 177.584 -0.294 0.000 1.328 1352 A CA 1.161 53.058 52.037 -0.233 0.000 0.693 1352 A CB -0.246 18.623 19.000 -0.218 0.000 0.994 1352 A HN 0.213 nan 8.150 nan 0.000 0.485 1353 E N -0.062 120.001 120.200 -0.228 0.000 2.478 1353 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 1353 E C 1.656 178.044 176.600 -0.353 0.000 1.046 1353 E CA 1.100 57.365 56.400 -0.224 0.000 0.870 1353 E CB -0.057 29.601 29.700 -0.071 0.000 0.818 1353 E HN 0.753 nan 8.360 nan 0.000 0.527 1354 Q N 0.044 119.650 119.800 -0.323 0.000 2.320 1354 Q HA 0.276 4.616 4.340 -0.000 0.000 0.201 1354 Q C -0.641 175.106 176.000 -0.422 0.000 0.910 1354 Q CA 0.105 55.712 55.803 -0.327 0.000 0.946 1354 Q CB 0.711 29.319 28.738 -0.217 0.000 1.062 1354 Q HN 0.022 nan 8.270 nan 0.000 0.503 1355 A N 0.382 122.900 122.820 -0.503 0.000 2.480 1355 A HA 0.388 4.708 4.320 -0.000 0.000 0.289 1355 A C -1.388 175.862 177.584 -0.556 0.000 1.044 1355 A CA -0.785 50.977 52.037 -0.459 0.000 0.761 1355 A CB 0.472 19.268 19.000 -0.339 0.000 1.289 1355 A HN 0.384 nan 8.150 nan 0.000 0.401 1356 H N 3.607 122.425 119.070 -0.420 0.000 2.989 1356 H HA 0.152 4.708 4.556 -0.000 0.000 0.284 1356 H C 0.295 175.173 175.328 -0.751 0.000 1.440 1356 H CA -0.015 55.551 56.048 -0.803 0.000 1.209 1356 H CB -0.248 29.135 29.762 -0.632 0.000 1.453 1356 H HN 0.513 nan 8.280 nan 0.000 0.550 1357 L N 0.221 121.214 121.223 -0.383 0.000 2.930 1357 L HA -0.004 4.336 4.340 -0.000 0.000 0.250 1357 L C 0.975 177.795 176.870 -0.084 0.000 1.320 1357 L CA -0.286 54.453 54.840 -0.168 0.000 1.163 1357 L CB -0.683 41.307 42.059 -0.115 0.000 1.542 1357 L HN 0.424 nan 8.230 nan 0.000 0.428 1358 W N 0.665 121.967 121.300 0.004 0.000 2.231 1358 W HA -0.421 4.239 4.660 -0.000 0.000 0.323 1358 W C 2.525 179.085 176.519 0.068 0.000 1.306 1358 W CA 1.208 58.559 57.345 0.009 0.000 1.323 1358 W CB -0.689 28.769 29.460 -0.003 0.000 1.120 1358 W HN 0.441 nan 8.180 nan 0.000 0.503 1359 A N 0.378 123.396 122.820 0.330 0.000 1.869 1359 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 1359 A C 1.797 179.474 177.584 0.155 0.000 1.203 1359 A CA 2.467 54.630 52.037 0.209 0.000 0.638 1359 A CB -0.793 18.293 19.000 0.143 0.000 0.831 1359 A HN 0.345 nan 8.150 nan 0.000 0.450 1360 E N -0.617 119.640 120.200 0.094 0.000 2.102 1360 E HA 0.077 4.427 4.350 -0.000 0.000 0.190 1360 E C 1.932 178.565 176.600 0.056 0.000 0.971 1360 E CA 0.535 56.969 56.400 0.057 0.000 0.821 1360 E CB -0.423 29.279 29.700 0.002 0.000 0.777 1360 E HN 0.553 nan 8.360 nan 0.000 0.460 1361 L N 0.512 121.731 121.223 -0.007 0.000 2.129 1361 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 1361 L C 1.698 178.513 176.870 -0.093 0.000 1.087 1361 L CA 1.049 55.813 54.840 -0.128 0.000 0.757 1361 L CB 0.017 41.966 42.059 -0.182 0.000 0.896 1361 L HN 0.060 nan 8.230 nan 0.000 0.434 1362 V N -0.651 119.378 119.914 0.191 0.000 2.346 1362 V HA -0.281 3.839 4.120 -0.000 0.000 0.244 1362 V C 2.167 178.384 176.094 0.205 0.000 1.037 1362 V CA 1.880 64.385 62.300 0.342 0.000 1.029 1362 V CB -0.738 31.287 31.823 0.336 0.000 0.663 1362 V HN 0.470 nan 8.190 nan 0.000 0.454 1363 F N 0.686 120.651 119.950 0.025 0.000 2.154 1363 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 1363 F C 2.019 177.790 175.800 -0.049 0.000 1.087 1363 F CA 1.660 59.641 58.000 -0.032 0.000 1.274 1363 F CB -0.223 38.736 39.000 -0.069 0.000 1.009 1363 F HN 0.041 nan 8.300 nan 0.000 0.485 1364 L N -1.149 120.119 121.223 0.076 0.000 1.956 1364 L HA -0.302 4.038 4.340 -0.000 0.000 0.216 1364 L C 2.422 179.263 176.870 -0.048 0.000 1.073 1364 L CA 1.772 56.605 54.840 -0.013 0.000 0.762 1364 L CB -1.539 40.410 42.059 -0.183 0.000 0.889 1364 L HN 0.102 nan 8.230 nan 0.000 0.433 1365 Y N 0.546 120.835 120.300 -0.019 0.000 2.102 1365 Y HA -0.347 4.203 4.550 -0.000 0.000 0.280 1365 Y C 2.422 178.201 175.900 -0.201 0.000 1.178 1365 Y CA 1.613 59.646 58.100 -0.112 0.000 1.146 1365 Y CB -1.020 37.360 38.460 -0.134 0.000 0.968 1365 Y HN 0.362 nan 8.280 nan 0.000 0.504 1366 D N 0.096 120.412 120.400 -0.140 0.000 2.182 1366 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 1366 D C 1.947 177.994 176.300 -0.422 0.000 0.999 1366 D CA 2.107 55.857 54.000 -0.416 0.000 0.850 1366 D CB -0.028 40.483 40.800 -0.482 0.000 0.994 1366 D HN -0.040 nan 8.370 nan 0.000 0.450 1367 K N -0.728 119.438 120.400 -0.391 0.000 2.152 1367 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 1367 K C 2.197 178.804 176.600 0.012 0.000 1.048 1367 K CA 0.733 56.931 56.287 -0.148 0.000 0.933 1367 K CB -0.868 31.624 32.500 -0.013 0.000 0.721 1367 K HN 0.431 nan 8.250 nan 0.000 0.447 1368 Y N 1.838 122.080 120.300 -0.097 0.000 2.403 1368 Y HA -0.207 4.343 4.550 -0.000 0.000 0.291 1368 Y C 0.120 175.974 175.900 -0.078 0.000 1.143 1368 Y CA 1.414 59.491 58.100 -0.039 0.000 1.257 1368 Y CB 0.075 38.531 38.460 -0.007 0.000 0.984 1368 Y HN 0.255 nan 8.280 nan 0.000 0.550 1369 E N -1.034 119.162 120.200 -0.007 0.000 3.547 1369 E HA -0.202 4.148 4.350 -0.000 0.000 0.309 1369 E C -0.082 176.473 176.600 -0.076 0.000 0.855 1369 E CA 0.729 57.024 56.400 -0.175 0.000 1.122 1369 E CB -1.406 28.340 29.700 0.077 0.000 1.569 1369 E HN 0.401 nan 8.360 nan 0.000 0.429 1370 E N -0.136 120.036 120.200 -0.047 0.000 2.320 1370 E HA 0.061 4.411 4.350 -0.000 0.000 0.234 1370 E C 0.323 176.867 176.600 -0.094 0.000 1.290 1370 E CA -0.073 56.305 56.400 -0.036 0.000 1.545 1370 E CB -0.280 29.335 29.700 -0.142 0.000 1.379 1370 E HN 0.419 nan 8.360 nan 0.000 0.437 1371 Y N 1.815 122.090 120.300 -0.043 0.000 2.073 1371 Y HA -0.389 4.161 4.550 -0.000 0.000 0.270 1371 Y C 2.241 178.024 175.900 -0.195 0.000 1.226 1371 Y CA 1.792 59.822 58.100 -0.117 0.000 1.117 1371 Y CB -0.642 37.745 38.460 -0.123 0.000 0.939 1371 Y HN 0.292 nan 8.280 nan 0.000 0.504 1372 D N -0.465 119.947 120.400 0.019 0.000 2.200 1372 D HA -0.253 4.387 4.640 -0.000 0.000 0.192 1372 D C 1.324 177.520 176.300 -0.174 0.000 1.008 1372 D CA 2.174 56.114 54.000 -0.101 0.000 0.872 1372 D CB -0.836 39.919 40.800 -0.075 0.000 0.923 1372 D HN 0.416 nan 8.370 nan 0.000 0.447 1373 N N 0.373 118.917 118.700 -0.259 0.000 2.305 1373 N HA 0.119 4.859 4.740 -0.000 0.000 0.179 1373 N C 1.981 177.192 175.510 -0.498 0.000 1.019 1373 N CA 1.238 54.008 53.050 -0.467 0.000 0.869 1373 N CB -0.364 37.646 38.487 -0.795 0.000 1.000 1373 N HN 0.352 nan 8.380 nan 0.000 0.431 1374 A N 2.217 124.822 122.820 -0.358 0.000 1.883 1374 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 1374 A C 2.146 179.694 177.584 -0.059 0.000 1.186 1374 A CA 0.996 52.996 52.037 -0.062 0.000 0.624 1374 A CB -0.547 18.454 19.000 0.002 0.000 0.822 1374 A HN 0.100 nan 8.150 nan 0.000 0.444 1375 I N 0.458 120.928 120.570 -0.167 0.000 2.208 1375 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 1375 I C 2.335 178.394 176.117 -0.098 0.000 1.097 1375 I CA 1.255 62.371 61.300 -0.306 0.000 1.363 1375 I CB -0.929 36.799 38.000 -0.453 0.000 1.051 1375 I HN 0.276 nan 8.210 nan 0.000 0.413 1376 I N 0.877 121.390 120.570 -0.095 0.000 2.335 1376 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 1376 I C 2.080 178.208 176.117 0.018 0.000 1.129 1376 I CA 1.345 62.614 61.300 -0.052 0.000 1.402 1376 I CB -1.731 36.226 38.000 -0.072 0.000 1.069 1376 I HN 0.226 nan 8.210 nan 0.000 0.424 1377 T N 0.641 115.280 114.554 0.142 0.000 3.139 1377 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 1377 T C 1.394 176.218 174.700 0.207 0.000 1.164 1377 T CA 0.804 63.154 62.100 0.418 0.000 1.075 1377 T CB -0.310 68.869 68.868 0.518 0.000 0.904 1377 T HN 0.331 nan 8.240 nan 0.000 0.540 1378 M N -0.367 119.241 119.600 0.014 0.000 2.596 1378 M HA 0.427 4.907 4.480 -0.000 0.000 0.364 1378 M C 1.112 177.039 176.300 -0.621 0.000 1.158 1378 M CA -0.017 55.190 55.300 -0.154 0.000 0.940 1378 M CB 0.318 33.058 32.600 0.233 0.000 1.388 1378 M HN 0.183 nan 8.290 nan 0.000 0.522 1379 M N -1.003 118.286 119.600 -0.519 0.000 2.730 1379 M HA 0.168 4.648 4.480 -0.000 0.000 0.258 1379 M C 0.821 176.803 176.300 -0.530 0.000 1.279 1379 M CA 1.091 56.086 55.300 -0.508 0.000 1.183 1379 M CB 0.262 32.692 32.600 -0.283 0.000 1.291 1379 M HN 0.282 nan 8.290 nan 0.000 0.518 1380 N N -0.251 117.910 118.700 -0.898 0.000 2.200 1380 N HA 0.104 4.844 4.740 -0.000 0.000 0.224 1380 N C -0.629 174.083 175.510 -1.329 0.000 1.179 1380 N CA -0.023 52.450 53.050 -0.961 0.000 0.877 1380 N CB 0.704 38.679 38.487 -0.853 0.000 1.072 1380 N HN 0.295 nan 8.380 nan 0.000 0.519 1381 H N -1.477 117.194 119.070 -0.664 0.000 2.947 1381 H HA 0.203 4.759 4.556 -0.000 0.000 0.222 1381 H C -2.341 172.743 175.328 -0.407 0.000 1.414 1381 H CA -1.280 54.270 56.048 -0.830 0.000 1.224 1381 H CB 0.548 29.221 29.762 -1.815 0.000 2.100 1381 H HN 0.061 nan 8.280 nan 0.000 0.524 1382 P HA -0.171 nan 4.420 nan 0.000 0.199 1382 P C 1.858 179.229 177.300 0.120 0.000 1.085 1382 P CA 2.467 65.562 63.100 -0.009 0.000 0.924 1382 P CB -0.115 31.643 31.700 0.098 0.000 0.736 1383 T N -2.801 111.802 114.554 0.082 0.000 2.836 1383 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 1383 T C 1.367 176.173 174.700 0.176 0.000 1.080 1383 T CA 2.072 64.256 62.100 0.140 0.000 1.128 1383 T CB -1.268 67.643 68.868 0.073 0.000 0.839 1383 T HN 0.135 nan 8.240 nan 0.000 0.507 1384 D N 0.951 121.439 120.400 0.147 0.000 2.162 1384 D HA 0.343 4.983 4.640 -0.000 0.000 0.205 1384 D C 2.092 178.528 176.300 0.226 0.000 0.964 1384 D CA 1.016 55.124 54.000 0.180 0.000 0.847 1384 D CB -0.064 40.834 40.800 0.163 0.000 0.988 1384 D HN 0.498 nan 8.370 nan 0.000 0.480 1385 A N -1.168 121.798 122.820 0.243 0.000 2.140 1385 A HA 0.166 4.486 4.320 -0.000 0.000 0.199 1385 A C 0.202 177.945 177.584 0.265 0.000 1.416 1385 A CA -0.518 51.672 52.037 0.255 0.000 1.018 1385 A CB -0.607 18.576 19.000 0.305 0.000 1.117 1385 A HN 0.314 nan 8.150 nan 0.000 0.480 1386 W N 2.014 123.383 121.300 0.114 0.000 2.345 1386 W HA 0.240 4.900 4.660 -0.000 0.000 0.346 1386 W C 0.025 176.639 176.519 0.157 0.000 1.243 1386 W CA 1.204 58.637 57.345 0.146 0.000 1.327 1386 W CB 0.355 29.890 29.460 0.125 0.000 1.187 1386 W HN 0.082 nan 8.180 nan 0.000 0.588 1387 K N 5.520 125.448 120.400 -0.786 0.000 3.200 1387 K HA -0.011 4.309 4.320 -0.000 0.000 0.179 1387 K C 0.374 176.385 176.600 -0.982 0.000 1.153 1387 K CA 0.131 55.968 56.287 -0.750 0.000 0.836 1387 K CB 0.913 33.257 32.500 -0.260 0.000 1.051 1387 K HN 0.761 nan 8.250 nan 0.000 0.594 1388 E N 0.555 119.601 120.200 -1.924 0.000 3.567 1388 E HA -0.367 3.983 4.350 -0.000 0.000 0.471 1388 E C 1.197 177.693 176.600 -0.173 0.000 1.627 1388 E CA 2.676 58.600 56.400 -0.793 0.000 1.218 1388 E CB -1.218 28.276 29.700 -0.342 0.000 1.214 1388 E HN 0.586 nan 8.360 nan 0.000 0.385 1389 G N -0.637 108.103 108.800 -0.101 0.000 2.572 1389 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 1389 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 1389 G C 1.314 176.235 174.900 0.035 0.000 1.133 1389 G CA 0.885 45.997 45.100 0.021 0.000 0.791 1389 G HN 0.449 nan 8.290 nan 0.000 0.538 1390 Q N -0.425 119.347 119.800 -0.048 0.000 2.268 1390 Q HA -0.167 4.173 4.340 -0.000 0.000 0.210 1390 Q C 1.814 177.876 176.000 0.103 0.000 0.988 1390 Q CA 1.353 57.156 55.803 -0.001 0.000 0.883 1390 Q CB -0.391 28.311 28.738 -0.059 0.000 0.911 1390 Q HN 0.490 nan 8.270 nan 0.000 0.430 1391 F N -0.130 119.840 119.950 0.033 0.000 2.664 1391 F HA 0.161 4.688 4.527 -0.000 0.000 0.296 1391 F C 1.421 177.264 175.800 0.071 0.000 1.125 1391 F CA 0.659 58.746 58.000 0.145 0.000 1.444 1391 F CB 0.237 39.492 39.000 0.425 0.000 1.114 1391 F HN -0.062 nan 8.300 nan 0.000 0.576 1392 K N -0.224 120.335 120.400 0.265 0.000 2.217 1392 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 1392 K C 0.655 177.292 176.600 0.061 0.000 1.051 1392 K CA 1.264 57.642 56.287 0.152 0.000 0.952 1392 K CB -0.065 32.499 32.500 0.105 0.000 0.736 1392 K HN 0.244 nan 8.250 nan 0.000 0.453 1393 D N -0.003 120.419 120.400 0.037 0.000 2.363 1393 D HA 0.100 4.740 4.640 -0.000 0.000 0.214 1393 D C 1.337 177.633 176.300 -0.007 0.000 1.093 1393 D CA 0.347 54.355 54.000 0.015 0.000 0.837 1393 D CB 0.437 41.257 40.800 0.034 0.000 0.948 1393 D HN 0.211 nan 8.370 nan 0.000 0.507 1394 I N -0.297 120.245 120.570 -0.045 0.000 2.899 1394 I HA -0.041 4.129 4.170 -0.000 0.000 0.257 1394 I C 2.182 178.115 176.117 -0.306 0.000 1.115 1394 I CA -0.100 61.193 61.300 -0.012 0.000 1.451 1394 I CB 0.077 38.118 38.000 0.068 0.000 1.251 1394 I HN -0.170 nan 8.210 nan 0.000 0.456 1395 I N 1.443 121.847 120.570 -0.276 0.000 2.143 1395 I HA -0.386 3.784 4.170 -0.000 0.000 0.245 1395 I C 2.426 178.497 176.117 -0.077 0.000 1.068 1395 I CA 2.005 63.146 61.300 -0.264 0.000 1.326 1395 I CB -0.402 37.511 38.000 -0.144 0.000 1.028 1395 I HN 0.181 nan 8.210 nan 0.000 0.412 1396 T N 0.614 115.135 114.554 -0.056 0.000 2.897 1396 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 1396 T C 1.335 175.938 174.700 -0.162 0.000 1.084 1396 T CA 1.076 63.148 62.100 -0.047 0.000 1.123 1396 T CB -0.146 68.687 68.868 -0.059 0.000 0.865 1396 T HN 0.187 nan 8.240 nan 0.000 0.496 1397 K N 1.527 121.675 120.400 -0.420 0.000 2.577 1397 K HA 0.316 4.636 4.320 -0.000 0.000 0.210 1397 K C -0.286 176.075 176.600 -0.398 0.000 1.048 1397 K CA -0.029 55.939 56.287 -0.532 0.000 1.188 1397 K CB 0.246 32.122 32.500 -1.039 0.000 0.910 1397 K HN 0.212 nan 8.250 nan 0.000 0.483 1398 V N 0.129 119.922 119.914 -0.202 0.000 2.732 1398 V HA 0.380 4.500 4.120 -0.000 0.000 0.310 1398 V C 1.106 177.205 176.094 0.007 0.000 1.053 1398 V CA -0.480 61.774 62.300 -0.077 0.000 0.957 1398 V CB 1.730 33.485 31.823 -0.114 0.000 1.018 1398 V HN 0.194 nan 8.190 nan 0.000 0.452 1399 A N 2.184 125.016 122.820 0.020 0.000 2.169 1399 A HA 0.158 4.478 4.320 -0.000 0.000 0.210 1399 A C 0.975 178.590 177.584 0.051 0.000 1.168 1399 A CA 0.314 52.371 52.037 0.034 0.000 0.813 1399 A CB -0.139 18.879 19.000 0.029 0.000 0.861 1399 A HN 0.729 nan 8.150 nan 0.000 0.481 1400 N N 0.832 119.560 118.700 0.047 0.000 2.437 1400 N HA 0.248 4.988 4.740 -0.000 0.000 0.259 1400 N C 0.361 175.941 175.510 0.117 0.000 0.983 1400 N CA -0.061 53.020 53.050 0.053 0.000 0.937 1400 N CB 1.741 40.233 38.487 0.009 0.000 1.122 1400 N HN -0.069 nan 8.380 nan 0.000 0.499 1401 V N 2.658 122.657 119.914 0.140 0.000 3.461 1401 V HA -0.032 4.088 4.120 -0.000 0.000 0.267 1401 V C 2.283 178.263 176.094 -0.189 0.000 1.186 1401 V CA 0.438 62.842 62.300 0.173 0.000 1.154 1401 V CB -0.435 31.387 31.823 -0.001 0.000 0.802 1401 V HN 0.666 nan 8.190 nan 0.000 0.474 1402 E N 1.360 121.502 120.200 -0.097 0.000 2.031 1402 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 1402 E C 2.217 178.654 176.600 -0.271 0.000 0.994 1402 E CA 1.282 57.618 56.400 -0.107 0.000 0.800 1402 E CB -0.358 29.401 29.700 0.099 0.000 0.752 1402 E HN 0.423 nan 8.360 nan 0.000 0.447 1403 L N 0.996 122.090 121.223 -0.214 0.000 2.064 1403 L HA -0.267 4.073 4.340 -0.000 0.000 0.216 1403 L C 2.103 178.811 176.870 -0.270 0.000 1.077 1403 L CA 1.990 56.686 54.840 -0.240 0.000 0.766 1403 L CB -1.393 40.474 42.059 -0.321 0.000 0.890 1403 L HN 0.182 nan 8.230 nan 0.000 0.435 1404 Y N -0.378 119.708 120.300 -0.357 0.000 2.014 1404 Y HA -0.348 4.202 4.550 -0.000 0.000 0.270 1404 Y C 2.638 178.401 175.900 -0.228 0.000 1.145 1404 Y CA 2.462 60.381 58.100 -0.302 0.000 1.106 1404 Y CB -1.470 36.727 38.460 -0.437 0.000 0.968 1404 Y HN 0.180 nan 8.280 nan 0.000 0.484 1405 Y N -0.221 120.146 120.300 0.112 0.000 2.062 1405 Y HA -0.343 4.207 4.550 -0.000 0.000 0.276 1405 Y C 2.607 178.419 175.900 -0.146 0.000 1.189 1405 Y CA 1.580 59.636 58.100 -0.072 0.000 1.130 1405 Y CB -1.295 37.110 38.460 -0.093 0.000 0.959 1405 Y HN 0.090 nan 8.280 nan 0.000 0.499 1406 R N 0.817 121.347 120.500 0.050 0.000 2.120 1406 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 1406 R C 2.291 178.596 176.300 0.008 0.000 1.123 1406 R CA 1.044 57.139 56.100 -0.008 0.000 0.975 1406 R CB -0.399 29.904 30.300 0.004 0.000 0.866 1406 R HN 0.391 nan 8.270 nan 0.000 0.446 1407 A N 1.638 124.485 122.820 0.045 0.000 1.858 1407 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 1407 A C 2.119 179.819 177.584 0.195 0.000 1.190 1407 A CA 1.571 53.699 52.037 0.151 0.000 0.617 1407 A CB -0.629 18.499 19.000 0.213 0.000 0.827 1407 A HN 0.367 nan 8.150 nan 0.000 0.443 1408 I N -0.155 120.476 120.570 0.102 0.000 2.285 1408 I HA -0.430 3.740 4.170 -0.000 0.000 0.253 1408 I C 2.727 178.871 176.117 0.045 0.000 1.104 1408 I CA 2.080 63.414 61.300 0.057 0.000 1.372 1408 I CB -0.441 37.503 38.000 -0.094 0.000 1.057 1408 I HN 0.604 nan 8.210 nan 0.000 0.431 1409 Q N 0.930 120.727 119.800 -0.005 0.000 1.967 1409 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 1409 Q C 2.317 178.332 176.000 0.025 0.000 0.985 1409 Q CA 2.147 57.943 55.803 -0.011 0.000 0.839 1409 Q CB -0.305 28.433 28.738 -0.001 0.000 0.906 1409 Q HN 0.507 nan 8.270 nan 0.000 0.423 1410 F N -0.353 119.500 119.950 -0.161 0.000 2.307 1410 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 1410 F C 0.659 176.110 175.800 -0.583 0.000 1.076 1410 F CA 1.325 59.080 58.000 -0.408 0.000 1.383 1410 F CB 0.105 38.713 39.000 -0.653 0.000 1.055 1410 F HN 0.186 nan 8.300 nan 0.000 0.526 1411 Y N -2.009 118.237 120.300 -0.090 0.000 2.624 1411 Y HA 0.089 4.639 4.550 -0.000 0.000 0.260 1411 Y C 1.836 177.682 175.900 -0.090 0.000 1.090 1411 Y CA 0.349 58.374 58.100 -0.125 0.000 1.347 1411 Y CB -1.092 37.341 38.460 -0.044 0.000 1.349 1411 Y HN -0.061 nan 8.280 nan 0.000 0.502 1412 L N 0.720 122.019 121.223 0.128 0.000 2.017 1412 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 1412 L C 2.082 178.922 176.870 -0.050 0.000 1.073 1412 L CA 1.832 56.701 54.840 0.049 0.000 0.745 1412 L CB -0.712 41.366 42.059 0.032 0.000 0.894 1412 L HN 0.131 nan 8.230 nan 0.000 0.432 1413 E N -0.360 119.779 120.200 -0.100 0.000 2.068 1413 E HA -0.274 4.076 4.350 -0.000 0.000 0.207 1413 E C 1.985 178.207 176.600 -0.631 0.000 1.032 1413 E CA 2.442 58.649 56.400 -0.322 0.000 0.839 1413 E CB -0.403 29.151 29.700 -0.243 0.000 0.758 1413 E HN 0.638 nan 8.360 nan 0.000 0.457 1414 F N -0.928 118.935 119.950 -0.145 0.000 2.819 1414 F HA 0.191 4.718 4.527 -0.000 0.000 0.325 1414 F C 0.779 176.469 175.800 -0.183 0.000 1.041 1414 F CA -0.593 57.305 58.000 -0.171 0.000 1.184 1414 F CB 0.403 39.262 39.000 -0.235 0.000 1.019 1414 F HN -0.259 nan 8.300 nan 0.000 0.590 1415 K N 3.490 123.856 120.400 -0.057 0.000 2.228 1415 K HA 0.230 4.550 4.320 -0.000 0.000 0.284 1415 K C -2.581 174.031 176.600 0.019 0.000 1.088 1415 K CA -2.026 54.215 56.287 -0.076 0.000 0.941 1415 K CB 0.262 32.683 32.500 -0.131 0.000 1.158 1415 K HN -0.035 nan 8.250 nan 0.000 0.438 1416 P HA -0.073 nan 4.420 nan 0.000 0.273 1416 P C -0.355 176.980 177.300 0.058 0.000 1.324 1416 P CA -0.581 62.541 63.100 0.037 0.000 0.728 1416 P CB 0.174 31.888 31.700 0.024 0.000 1.614 1417 L N 1.907 123.160 121.223 0.051 0.000 2.747 1417 L HA -0.150 4.190 4.340 -0.000 0.000 0.286 1417 L C 0.998 177.919 176.870 0.084 0.000 1.216 1417 L CA 1.441 56.317 54.840 0.060 0.000 0.930 1417 L CB -1.479 40.611 42.059 0.051 0.000 1.216 1417 L HN 0.353 nan 8.230 nan 0.000 0.486 1418 L N 2.669 123.945 121.223 0.087 0.000 4.696 1418 L HA -0.296 4.044 4.340 -0.000 0.000 0.398 1418 L C 0.947 177.896 176.870 0.131 0.000 0.971 1418 L CA 0.589 55.496 54.840 0.112 0.000 1.427 1418 L CB -1.061 41.090 42.059 0.155 0.000 1.965 1418 L HN 0.671 nan 8.230 nan 0.000 0.593 1419 L N -1.872 119.418 121.223 0.112 0.000 2.286 1419 L HA 0.159 4.499 4.340 -0.000 0.000 0.203 1419 L C 1.702 178.608 176.870 0.060 0.000 1.068 1419 L CA 1.913 56.815 54.840 0.102 0.000 0.811 1419 L CB -0.322 41.809 42.059 0.119 0.000 0.989 1419 L HN 0.218 nan 8.230 nan 0.000 0.467 1420 N N 0.191 118.928 118.700 0.063 0.000 2.120 1420 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 1420 N C 0.949 176.501 175.510 0.070 0.000 1.024 1420 N CA 1.540 54.625 53.050 0.058 0.000 0.852 1420 N CB -0.226 38.301 38.487 0.067 0.000 1.003 1420 N HN 0.464 nan 8.380 nan 0.000 0.424 1421 D N 1.066 121.505 120.400 0.066 0.000 2.263 1421 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 1421 D C 1.883 178.214 176.300 0.052 0.000 0.971 1421 D CA 0.295 54.333 54.000 0.063 0.000 0.867 1421 D CB -0.081 40.757 40.800 0.064 0.000 0.929 1421 D HN 0.180 nan 8.370 nan 0.000 0.492 1422 L N 0.388 121.632 121.223 0.035 0.000 2.141 1422 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 1422 L C 1.483 178.364 176.870 0.018 0.000 1.094 1422 L CA 1.386 56.220 54.840 -0.010 0.000 0.763 1422 L CB -0.546 41.461 42.059 -0.087 0.000 0.908 1422 L HN 0.141 nan 8.230 nan 0.000 0.437 1423 L N -0.859 120.389 121.223 0.042 0.000 2.376 1423 L HA -0.170 4.170 4.340 -0.000 0.000 0.219 1423 L C 2.460 179.399 176.870 0.115 0.000 1.133 1423 L CA 0.249 55.131 54.840 0.071 0.000 0.816 1423 L CB -0.468 41.635 42.059 0.074 0.000 0.933 1423 L HN 0.239 nan 8.230 nan 0.000 0.449 1424 M N 0.282 119.938 119.600 0.092 0.000 2.200 1424 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 1424 M C 2.444 178.778 176.300 0.057 0.000 1.074 1424 M CA 2.359 57.706 55.300 0.078 0.000 1.098 1424 M CB -0.962 31.675 32.600 0.062 0.000 1.268 1424 M HN 0.164 nan 8.290 nan 0.000 0.432 1425 V N -1.025 118.915 119.914 0.043 0.000 2.233 1425 V HA -0.330 3.790 4.120 -0.000 0.000 0.252 1425 V C 2.224 178.326 176.094 0.014 0.000 1.063 1425 V CA 2.399 64.717 62.300 0.030 0.000 1.032 1425 V CB -1.748 30.094 31.823 0.032 0.000 0.645 1425 V HN 0.594 nan 8.190 nan 0.000 0.446 1426 L N 0.552 121.779 121.223 0.006 0.000 2.034 1426 L HA -0.247 4.093 4.340 -0.000 0.000 0.217 1426 L C 2.624 179.456 176.870 -0.063 0.000 1.077 1426 L CA 1.962 56.768 54.840 -0.055 0.000 0.769 1426 L CB -1.435 40.580 42.059 -0.073 0.000 0.890 1426 L HN 0.509 nan 8.230 nan 0.000 0.435 1427 S N -0.611 115.087 115.700 -0.003 0.000 1.978 1427 S HA -0.259 4.211 4.470 -0.000 0.000 0.533 1427 S C -1.412 173.196 174.600 0.013 0.000 0.920 1427 S CA 1.738 59.960 58.200 0.037 0.000 3.354 1427 S CB -2.540 60.700 63.200 0.066 0.000 2.336 1427 S HN 0.313 nan 8.310 nan 0.000 0.579 1428 P HA 0.232 nan 4.420 nan 0.000 0.262 1428 P C 0.433 177.717 177.300 -0.027 0.000 1.199 1428 P CA 0.831 63.952 63.100 0.035 0.000 0.763 1428 P CB 0.199 31.917 31.700 0.029 0.000 0.790 1429 R N 0.797 121.287 120.500 -0.016 0.000 3.591 1429 R HA -0.151 4.189 4.340 -0.000 0.000 0.323 1429 R C -1.320 174.892 176.300 -0.146 0.000 1.141 1429 R CA 0.104 56.164 56.100 -0.066 0.000 0.834 1429 R CB -1.722 28.498 30.300 -0.133 0.000 1.453 1429 R HN 0.373 nan 8.270 nan 0.000 0.479 1430 L N -0.122 121.008 121.223 -0.154 0.000 2.301 1430 L HA 0.598 4.938 4.340 -0.000 0.000 0.264 1430 L C 0.144 176.921 176.870 -0.156 0.000 1.016 1430 L CA -0.101 54.622 54.840 -0.194 0.000 0.821 1430 L CB 1.936 43.790 42.059 -0.341 0.000 1.346 1430 L HN 0.102 nan 8.230 nan 0.000 0.429 1431 D N -0.395 119.942 120.400 -0.105 0.000 2.398 1431 D HA 0.134 4.774 4.640 -0.000 0.000 0.210 1431 D C 0.777 177.105 176.300 0.048 0.000 1.094 1431 D CA 0.475 54.471 54.000 -0.006 0.000 0.839 1431 D CB 0.132 40.936 40.800 0.006 0.000 0.963 1431 D HN 0.605 nan 8.370 nan 0.000 0.506 1432 H N -0.402 118.648 119.070 -0.034 0.000 5.363 1432 H HA -0.259 4.297 4.556 -0.000 0.000 0.065 1432 H C 1.547 176.895 175.328 0.034 0.000 0.517 1432 H CA 2.267 58.318 56.048 0.005 0.000 1.053 1432 H CB -1.437 28.250 29.762 -0.126 0.000 0.554 1432 H HN 0.200 nan 8.280 nan 0.000 0.717 1433 T N 1.086 115.717 114.554 0.129 0.000 2.822 1433 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 1433 T C 1.701 176.431 174.700 0.050 0.000 1.064 1433 T CA 1.653 63.802 62.100 0.081 0.000 1.131 1433 T CB -0.201 68.700 68.868 0.054 0.000 0.858 1433 T HN 0.348 nan 8.240 nan 0.000 0.483 1434 R N 0.169 120.671 120.500 0.003 0.000 2.893 1434 R HA 0.497 4.837 4.340 -0.000 0.000 0.317 1434 R C 0.807 177.079 176.300 -0.047 0.000 1.239 1434 R CA 0.035 56.093 56.100 -0.071 0.000 1.128 1434 R CB -0.130 30.041 30.300 -0.215 0.000 1.377 1434 R HN 0.325 nan 8.270 nan 0.000 0.583 1435 A N -0.947 121.940 122.820 0.112 0.000 1.808 1435 A HA 0.107 4.427 4.320 -0.000 0.000 0.190 1435 A C 1.407 179.328 177.584 0.562 0.000 1.822 1435 A CA -0.003 52.203 52.037 0.281 0.000 1.090 1435 A CB -0.073 19.140 19.000 0.355 0.000 1.004 1435 A HN 0.106 nan 8.150 nan 0.000 0.602 1436 V N 2.575 122.786 119.914 0.495 0.000 2.439 1436 V HA -0.327 3.793 4.120 -0.000 0.000 0.253 1436 V C 2.158 178.480 176.094 0.379 0.000 1.074 1436 V CA 2.428 65.003 62.300 0.458 0.000 1.076 1436 V CB -1.149 30.796 31.823 0.204 0.000 0.664 1436 V HN 0.576 nan 8.190 nan 0.000 0.461 1437 N N -0.673 118.169 118.700 0.237 0.000 2.166 1437 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 1437 N C 1.673 177.240 175.510 0.094 0.000 1.019 1437 N CA 1.586 54.714 53.050 0.129 0.000 0.856 1437 N CB -0.508 38.026 38.487 0.077 0.000 0.993 1437 N HN 0.693 nan 8.380 nan 0.000 0.426 1438 Y N -0.092 120.170 120.300 -0.063 0.000 2.516 1438 Y HA 0.028 4.578 4.550 -0.000 0.000 0.291 1438 Y C 1.324 177.042 175.900 -0.304 0.000 1.131 1438 Y CA 0.865 58.824 58.100 -0.236 0.000 1.281 1438 Y CB -0.101 38.127 38.460 -0.387 0.000 1.013 1438 Y HN -0.096 nan 8.280 nan 0.000 0.554 1439 F N -1.121 118.842 119.950 0.021 0.000 2.147 1439 F HA -0.100 4.427 4.527 -0.000 0.000 0.291 1439 F C 2.552 178.297 175.800 -0.093 0.000 1.093 1439 F CA 1.313 59.288 58.000 -0.041 0.000 1.263 1439 F CB -1.005 37.997 39.000 0.004 0.000 1.036 1439 F HN -0.211 nan 8.300 nan 0.000 0.481 1440 S N 0.649 116.438 115.700 0.147 0.000 2.368 1440 S HA -0.264 4.206 4.470 -0.000 0.000 0.226 1440 S C 1.597 176.182 174.600 -0.025 0.000 1.044 1440 S CA 1.937 60.166 58.200 0.049 0.000 1.062 1440 S CB -0.818 62.411 63.200 0.047 0.000 0.931 1440 S HN 0.446 nan 8.310 nan 0.000 0.440 1441 K N 1.083 121.440 120.400 -0.073 0.000 2.706 1441 K HA 0.216 4.536 4.320 -0.000 0.000 0.217 1441 K C 0.479 176.962 176.600 -0.195 0.000 1.019 1441 K CA 0.227 56.444 56.287 -0.118 0.000 1.181 1441 K CB 0.060 32.486 32.500 -0.124 0.000 0.940 1441 K HN 0.188 nan 8.250 nan 0.000 0.491 1442 V N 0.526 120.332 119.914 -0.181 0.000 3.562 1442 V HA 0.022 4.142 4.120 -0.000 0.000 0.270 1442 V C 0.885 176.903 176.094 -0.126 0.000 1.418 1442 V CA 0.049 62.213 62.300 -0.226 0.000 1.033 1442 V CB -0.095 31.544 31.823 -0.307 0.000 0.820 1442 V HN 0.650 nan 8.190 nan 0.000 0.441 1443 K N 0.554 120.911 120.400 -0.071 0.000 3.341 1443 K HA -0.311 4.009 4.320 -0.000 0.000 0.305 1443 K C 0.639 177.222 176.600 -0.029 0.000 1.270 1443 K CA 1.638 57.899 56.287 -0.044 0.000 0.897 1443 K CB -0.928 31.541 32.500 -0.052 0.000 1.264 1443 K HN 0.571 nan 8.250 nan 0.000 0.468 1444 Q N -0.005 119.789 119.800 -0.011 0.000 2.093 1444 Q HA 0.240 4.580 4.340 -0.000 0.000 0.217 1444 Q C 1.296 177.341 176.000 0.074 0.000 0.785 1444 Q CA -0.042 55.771 55.803 0.017 0.000 1.038 1444 Q CB 0.493 29.224 28.738 -0.012 0.000 1.190 1444 Q HN 0.431 nan 8.270 nan 0.000 0.468 1445 L N 2.245 123.523 121.223 0.091 0.000 2.127 1445 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 1445 L C -0.802 176.059 176.870 -0.015 0.000 1.089 1445 L CA 1.257 56.157 54.840 0.100 0.000 0.757 1445 L CB -0.430 41.678 42.059 0.083 0.000 0.899 1445 L HN 0.155 nan 8.230 nan 0.000 0.434 1446 P HA -0.245 nan 4.420 nan 0.000 0.221 1446 P C 1.924 179.206 177.300 -0.030 0.000 1.145 1446 P CA 1.332 64.404 63.100 -0.046 0.000 0.795 1446 P CB -0.154 31.521 31.700 -0.041 0.000 0.775 1447 L N 0.768 121.989 121.223 -0.004 0.000 2.042 1447 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 1447 L C 2.350 179.218 176.870 -0.002 0.000 1.076 1447 L CA 1.920 56.767 54.840 0.011 0.000 0.749 1447 L CB -0.625 41.458 42.059 0.040 0.000 0.893 1447 L HN -0.065 nan 8.230 nan 0.000 0.432 1448 V N -2.355 117.526 119.914 -0.055 0.000 3.383 1448 V HA -0.205 3.915 4.120 -0.000 0.000 0.272 1448 V C 2.253 178.385 176.094 0.063 0.000 1.181 1448 V CA 1.407 63.692 62.300 -0.025 0.000 1.171 1448 V CB -0.928 30.723 31.823 -0.286 0.000 0.800 1448 V HN 0.464 nan 8.190 nan 0.000 0.515 1449 K N 2.119 122.512 120.400 -0.012 0.000 2.015 1449 K HA -0.171 4.149 4.320 -0.000 0.000 0.220 1449 K C 0.041 176.632 176.600 -0.014 0.000 1.055 1449 K CA 2.512 58.773 56.287 -0.045 0.000 0.951 1449 K CB -1.318 31.154 32.500 -0.046 0.000 0.725 1449 K HN 0.578 nan 8.250 nan 0.000 0.449 1450 P HA -0.161 nan 4.420 nan 0.000 0.222 1450 P C 1.287 178.605 177.300 0.029 0.000 1.153 1450 P CA 1.055 64.169 63.100 0.024 0.000 0.798 1450 P CB -0.275 31.448 31.700 0.038 0.000 0.796 1451 Y N 1.487 121.751 120.300 -0.061 0.000 2.403 1451 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 1451 Y C 1.761 177.619 175.900 -0.071 0.000 1.143 1451 Y CA 1.169 59.228 58.100 -0.067 0.000 1.257 1451 Y CB -1.075 37.313 38.460 -0.119 0.000 0.984 1451 Y HN -0.187 nan 8.280 nan 0.000 0.550 1452 L N -0.465 120.581 121.223 -0.294 0.000 2.607 1452 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 1452 L C 2.216 178.960 176.870 -0.210 0.000 1.123 1452 L CA -0.208 54.413 54.840 -0.365 0.000 0.890 1452 L CB -0.273 41.651 42.059 -0.224 0.000 1.103 1452 L HN -0.014 nan 8.230 nan 0.000 0.468 1453 R N 0.436 120.860 120.500 -0.126 0.000 2.078 1453 R HA -0.021 4.319 4.340 -0.000 0.000 0.224 1453 R C 2.254 178.512 176.300 -0.069 0.000 1.149 1453 R CA 1.586 57.649 56.100 -0.061 0.000 0.916 1453 R CB -0.929 29.359 30.300 -0.020 0.000 0.821 1453 R HN 0.175 nan 8.270 nan 0.000 0.434 1454 S N 0.650 116.312 115.700 -0.063 0.000 2.447 1454 S HA -0.014 4.456 4.470 -0.000 0.000 0.233 1454 S C 1.256 175.801 174.600 -0.093 0.000 1.006 1454 S CA 0.400 58.570 58.200 -0.051 0.000 0.957 1454 S CB -0.025 63.161 63.200 -0.022 0.000 0.773 1454 S HN -0.004 nan 8.310 nan 0.000 0.507 1455 V N 0.392 120.204 119.914 -0.169 0.000 3.613 1455 V HA 0.333 4.453 4.120 -0.000 0.000 0.283 1455 V C 0.797 176.715 176.094 -0.294 0.000 1.052 1455 V CA -0.741 61.412 62.300 -0.245 0.000 0.937 1455 V CB 0.502 32.078 31.823 -0.412 0.000 1.241 1455 V HN 0.391 nan 8.190 nan 0.000 0.429 1456 Q N -0.357 119.216 119.800 -0.378 0.000 2.493 1456 Q HA -0.215 4.125 4.340 -0.000 0.000 0.278 1456 Q C 0.285 175.803 176.000 -0.803 0.000 1.198 1456 Q CA 1.478 56.974 55.803 -0.512 0.000 0.880 1456 Q CB -1.780 26.637 28.738 -0.536 0.000 1.260 1456 Q HN 0.904 nan 8.270 nan 0.000 0.470 1457 N N -2.096 116.318 118.700 -0.477 0.000 2.297 1457 N HA 0.069 4.809 4.740 -0.000 0.000 0.208 1457 N C 0.767 176.145 175.510 -0.221 0.000 1.176 1457 N CA 0.102 52.957 53.050 -0.325 0.000 0.882 1457 N CB 0.192 38.623 38.487 -0.094 0.000 1.134 1457 N HN 0.256 nan 8.380 nan 0.000 0.489 1458 H N 1.267 120.149 119.070 -0.312 0.000 2.561 1458 H HA 0.011 4.567 4.556 -0.000 0.000 0.278 1458 H C 0.741 175.962 175.328 -0.179 0.000 1.014 1458 H CA 0.886 56.787 56.048 -0.245 0.000 1.211 1458 H CB -0.013 29.514 29.762 -0.392 0.000 1.365 1458 H HN 0.197 nan 8.280 nan 0.000 0.594 1459 N N -0.275 118.343 118.700 -0.136 0.000 2.809 1459 N HA -0.290 4.450 4.740 -0.000 0.000 0.244 1459 N C -0.660 174.845 175.510 -0.007 0.000 1.018 1459 N CA 0.810 53.837 53.050 -0.039 0.000 0.917 1459 N CB -1.338 37.191 38.487 0.069 0.000 1.130 1459 N HN 0.336 nan 8.380 nan 0.000 0.591 1460 N N 0.528 119.214 118.700 -0.023 0.000 2.292 1460 N HA -0.048 4.692 4.740 -0.000 0.000 0.242 1460 N C 1.021 176.535 175.510 0.007 0.000 1.243 1460 N CA 0.937 53.986 53.050 -0.002 0.000 0.851 1460 N CB 0.422 38.876 38.487 -0.056 0.000 1.093 1460 N HN 0.441 nan 8.380 nan 0.000 0.450 1461 K N 0.703 121.126 120.400 0.039 0.000 2.007 1461 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 1461 K C 2.083 178.713 176.600 0.050 0.000 1.047 1461 K CA 1.415 57.739 56.287 0.062 0.000 0.937 1461 K CB -0.248 32.292 32.500 0.067 0.000 0.718 1461 K HN 0.638 nan 8.250 nan 0.000 0.438 1462 S N 1.179 116.905 115.700 0.043 0.000 2.407 1462 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 1462 S C 2.122 176.732 174.600 0.018 0.000 1.036 1462 S CA 1.453 59.680 58.200 0.044 0.000 1.013 1462 S CB -0.906 62.334 63.200 0.067 0.000 0.820 1462 S HN 0.035 nan 8.310 nan 0.000 0.476 1463 V N 3.647 123.553 119.914 -0.014 0.000 2.216 1463 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 1463 V C 2.674 178.742 176.094 -0.044 0.000 1.044 1463 V CA 2.121 64.383 62.300 -0.064 0.000 0.995 1463 V CB -1.069 30.677 31.823 -0.129 0.000 0.633 1463 V HN 0.539 nan 8.190 nan 0.000 0.446 1464 N N 0.045 118.731 118.700 -0.023 0.000 2.013 1464 N HA -0.217 4.523 4.740 -0.000 0.000 0.195 1464 N C 1.898 177.426 175.510 0.031 0.000 1.051 1464 N CA 1.537 54.587 53.050 -0.000 0.000 0.851 1464 N CB -0.713 37.765 38.487 -0.014 0.000 1.044 1464 N HN 0.431 nan 8.380 nan 0.000 0.422 1465 E N 1.176 121.417 120.200 0.068 0.000 2.149 1465 E HA -0.189 4.161 4.350 -0.000 0.000 0.215 1465 E C 1.743 178.373 176.600 0.049 0.000 1.055 1465 E CA 1.600 58.050 56.400 0.083 0.000 0.870 1465 E CB -0.178 29.567 29.700 0.075 0.000 0.764 1465 E HN 0.278 nan 8.360 nan 0.000 0.463 1466 S N -0.236 115.475 115.700 0.019 0.000 2.441 1466 S HA -0.003 4.467 4.470 -0.000 0.000 0.224 1466 S C 1.826 176.390 174.600 -0.059 0.000 1.043 1466 S CA 0.338 58.533 58.200 -0.007 0.000 0.948 1466 S CB -0.109 63.086 63.200 -0.008 0.000 0.810 1466 S HN 0.172 nan 8.310 nan 0.000 0.504 1467 L N 3.338 124.516 121.223 -0.076 0.000 2.021 1467 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 1467 L C 1.761 178.546 176.870 -0.142 0.000 1.074 1467 L CA 1.713 56.452 54.840 -0.169 0.000 0.760 1467 L CB -0.716 41.320 42.059 -0.039 0.000 0.889 1467 L HN 0.241 nan 8.230 nan 0.000 0.433 1468 N N -0.479 118.251 118.700 0.050 0.000 2.080 1468 N HA -0.238 4.502 4.740 -0.000 0.000 0.189 1468 N C 1.689 177.242 175.510 0.071 0.000 1.036 1468 N CA 1.720 54.849 53.050 0.131 0.000 0.846 1468 N CB -0.911 37.607 38.487 0.052 0.000 1.015 1468 N HN 0.564 nan 8.380 nan 0.000 0.423 1469 N N 0.986 119.705 118.700 0.032 0.000 2.184 1469 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 1469 N C 1.640 177.163 175.510 0.022 0.000 1.011 1469 N CA 0.651 53.725 53.050 0.040 0.000 0.867 1469 N CB 0.033 38.534 38.487 0.023 0.000 0.993 1469 N HN 0.164 nan 8.380 nan 0.000 0.433 1470 L N -0.588 120.582 121.223 -0.089 0.000 1.993 1470 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 1470 L C 1.823 178.640 176.870 -0.089 0.000 1.074 1470 L CA 0.947 55.678 54.840 -0.182 0.000 0.746 1470 L CB -0.858 40.938 42.059 -0.439 0.000 0.896 1470 L HN 0.099 nan 8.230 nan 0.000 0.435 1471 F N 0.337 120.324 119.950 0.063 0.000 2.346 1471 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 1471 F C 2.212 178.197 175.800 0.309 0.000 1.070 1471 F CA 1.005 59.071 58.000 0.111 0.000 1.407 1471 F CB -0.877 38.133 39.000 0.017 0.000 1.072 1471 F HN 0.032 nan 8.300 nan 0.000 0.543 1472 I N -1.004 119.827 120.570 0.434 0.000 2.188 1472 I HA -0.201 3.969 4.170 -0.000 0.000 0.237 1472 I C 2.223 178.643 176.117 0.504 0.000 1.073 1472 I CA 1.453 63.153 61.300 0.667 0.000 1.359 1472 I CB -0.896 37.328 38.000 0.373 0.000 1.083 1472 I HN -0.078 nan 8.210 nan 0.000 0.412 1473 T N 0.561 115.275 114.554 0.267 0.000 2.995 1473 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 1473 T C 1.578 176.337 174.700 0.098 0.000 1.091 1473 T CA 1.354 63.541 62.100 0.145 0.000 1.128 1473 T CB -0.337 68.582 68.868 0.085 0.000 0.891 1473 T HN 0.549 nan 8.240 nan 0.000 0.492 1474 E N 1.557 121.836 120.200 0.130 0.000 2.371 1474 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 1474 E C 0.489 177.157 176.600 0.114 0.000 1.012 1474 E CA 0.726 57.183 56.400 0.096 0.000 0.860 1474 E CB -0.262 29.488 29.700 0.082 0.000 0.811 1474 E HN 0.502 nan 8.360 nan 0.000 0.502 1475 E N 0.355 120.659 120.200 0.173 0.000 3.687 1475 E HA -0.166 4.184 4.350 -0.000 0.000 0.319 1475 E C -0.646 176.111 176.600 0.262 0.000 0.821 1475 E CA 0.721 57.166 56.400 0.076 0.000 1.195 1475 E CB -1.596 28.097 29.700 -0.012 0.000 1.605 1475 E HN 0.433 nan 8.360 nan 0.000 0.419 1476 D N -0.030 120.607 120.400 0.396 0.000 2.312 1476 D HA 0.113 4.753 4.640 -0.000 0.000 0.252 1476 D C 0.489 176.979 176.300 0.317 0.000 1.150 1476 D CA 0.138 54.272 54.000 0.224 0.000 0.870 1476 D CB 0.513 41.527 40.800 0.357 0.000 1.153 1476 D HN 0.251 nan 8.370 nan 0.000 0.457 1477 Y N 1.782 122.221 120.300 0.232 0.000 2.638 1477 Y HA 0.213 4.763 4.550 -0.000 0.000 0.275 1477 Y C 2.265 178.129 175.900 -0.060 0.000 1.122 1477 Y CA -0.215 57.972 58.100 0.144 0.000 1.266 1477 Y CB -0.405 38.224 38.460 0.282 0.000 1.317 1477 Y HN 0.267 nan 8.280 nan 0.000 0.501 1478 Q N 1.516 121.145 119.800 -0.284 0.000 2.002 1478 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 1478 Q C 2.511 178.368 176.000 -0.239 0.000 0.988 1478 Q CA 2.117 57.836 55.803 -0.141 0.000 0.843 1478 Q CB -0.371 28.239 28.738 -0.214 0.000 0.908 1478 Q HN 0.633 nan 8.270 nan 0.000 0.420 1479 A N 0.893 123.487 122.820 -0.377 0.000 1.835 1479 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 1479 A C 2.069 179.145 177.584 -0.845 0.000 1.199 1479 A CA 1.454 53.157 52.037 -0.558 0.000 0.615 1479 A CB -1.072 17.562 19.000 -0.611 0.000 0.838 1479 A HN 0.380 nan 8.150 nan 0.000 0.444 1480 L N -0.158 120.336 121.223 -1.215 0.000 2.054 1480 L HA -0.271 4.069 4.340 -0.000 0.000 0.220 1480 L C 2.427 179.029 176.870 -0.447 0.000 1.081 1480 L CA 2.821 57.113 54.840 -0.913 0.000 0.780 1480 L CB -0.767 41.021 42.059 -0.453 0.000 0.893 1480 L HN 0.486 nan 8.230 nan 0.000 0.438 1481 R N -1.276 119.041 120.500 -0.305 0.000 2.070 1481 R HA -0.119 4.221 4.340 -0.000 0.000 0.233 1481 R C 2.132 178.315 176.300 -0.195 0.000 1.137 1481 R CA 2.218 58.201 56.100 -0.194 0.000 0.945 1481 R CB -0.748 29.482 30.300 -0.118 0.000 0.845 1481 R HN 0.465 nan 8.270 nan 0.000 0.430 1482 T N -0.731 113.699 114.554 -0.207 0.000 2.951 1482 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 1482 T C 1.651 176.265 174.700 -0.143 0.000 1.073 1482 T CA 1.237 63.240 62.100 -0.162 0.000 1.134 1482 T CB -0.201 68.585 68.868 -0.136 0.000 0.884 1482 T HN 0.256 nan 8.240 nan 0.000 0.479 1483 S N 1.297 116.861 115.700 -0.227 0.000 2.537 1483 S HA -0.000 4.470 4.470 -0.000 0.000 0.240 1483 S C 1.495 176.072 174.600 -0.038 0.000 0.981 1483 S CA 0.674 58.797 58.200 -0.128 0.000 0.948 1483 S CB -0.507 62.504 63.200 -0.315 0.000 0.759 1483 S HN 0.732 nan 8.310 nan 0.000 0.531 1484 I N -3.911 116.583 120.570 -0.127 0.000 4.390 1484 I HA 0.450 4.620 4.170 -0.000 0.000 0.334 1484 I C 0.059 176.091 176.117 -0.142 0.000 1.379 1484 I CA -0.243 60.960 61.300 -0.160 0.000 1.197 1484 I CB 0.286 38.109 38.000 -0.296 0.000 1.396 1484 I HN -0.175 nan 8.210 nan 0.000 0.511 1485 D N 2.452 122.764 120.400 -0.147 0.000 2.378 1485 D HA 0.173 4.813 4.640 -0.000 0.000 0.227 1485 D C 1.384 177.563 176.300 -0.200 0.000 1.012 1485 D CA 1.219 55.131 54.000 -0.146 0.000 0.905 1485 D CB 1.009 41.724 40.800 -0.142 0.000 0.895 1485 D HN 0.685 nan 8.370 nan 0.000 0.532 1486 A N -0.689 121.948 122.820 -0.306 0.000 1.696 1486 A HA 0.079 4.399 4.320 -0.000 0.000 0.184 1486 A C -0.468 176.885 177.584 -0.386 0.000 1.658 1486 A CA -0.417 51.350 52.037 -0.450 0.000 1.194 1486 A CB -0.247 18.275 19.000 -0.797 0.000 1.036 1486 A HN 0.070 nan 8.150 nan 0.000 0.579 1487 Y N 3.087 123.352 120.300 -0.059 0.000 2.697 1487 Y HA 0.290 4.840 4.550 -0.000 0.000 0.349 1487 Y C 0.377 176.244 175.900 -0.054 0.000 1.120 1487 Y CA 0.100 58.170 58.100 -0.049 0.000 1.468 1487 Y CB -0.366 38.057 38.460 -0.061 0.000 1.182 1487 Y HN 0.578 nan 8.280 nan 0.000 0.525 1488 D N -0.151 120.320 120.400 0.118 0.000 2.460 1488 D HA -0.013 4.627 4.640 -0.000 0.000 0.229 1488 D C -0.097 176.428 176.300 0.375 0.000 1.170 1488 D CA -0.379 53.739 54.000 0.196 0.000 0.827 1488 D CB -0.343 40.566 40.800 0.182 0.000 0.973 1488 D HN 0.531 nan 8.370 nan 0.000 0.496 1489 N N 1.093 119.971 118.700 0.298 0.000 2.645 1489 N HA 0.320 5.060 4.740 -0.000 0.000 0.233 1489 N C -1.235 174.517 175.510 0.404 0.000 1.058 1489 N CA -0.621 52.595 53.050 0.276 0.000 0.942 1489 N CB 0.194 38.773 38.487 0.155 0.000 1.210 1489 N HN 0.213 nan 8.380 nan 0.000 0.512 1490 F N 0.496 120.455 119.950 0.015 0.000 3.194 1490 F HA 0.281 4.808 4.527 -0.000 0.000 0.327 1490 F C -1.717 174.082 175.800 -0.002 0.000 1.141 1490 F CA -1.573 56.431 58.000 0.006 0.000 0.862 1490 F CB 0.384 39.387 39.000 0.004 0.000 1.447 1490 F HN -0.017 nan 8.300 nan 0.000 0.479 1491 D N 1.600 121.859 120.400 -0.236 0.000 2.517 1491 D HA 0.204 4.844 4.640 -0.000 0.000 0.220 1491 D C -0.702 175.242 176.300 -0.593 0.000 1.158 1491 D CA -0.105 53.691 54.000 -0.340 0.000 0.992 1491 D CB -0.630 40.108 40.800 -0.103 0.000 1.058 1491 D HN 0.491 nan 8.370 nan 0.000 0.516 1492 N N 5.478 123.598 118.700 -0.967 0.000 2.670 1492 N HA 0.057 4.797 4.740 -0.000 0.000 0.296 1492 N C 0.281 175.637 175.510 -0.255 0.000 1.216 1492 N CA 0.238 52.834 53.050 -0.756 0.000 1.123 1492 N CB 0.233 38.335 38.487 -0.641 0.000 1.459 1492 N HN 0.494 nan 8.380 nan 0.000 0.509 1493 I N -1.646 118.841 120.570 -0.139 0.000 1.266 1493 I HA -0.101 4.069 4.170 -0.000 0.000 0.343 1493 I C 1.583 177.761 176.117 0.101 0.000 0.395 1493 I CA -0.137 61.213 61.300 0.083 0.000 3.296 1493 I CB -1.011 37.015 38.000 0.044 0.000 1.588 1493 I HN 0.068 nan 8.210 nan 0.000 0.544 1494 S N 1.968 117.712 115.700 0.072 0.000 2.409 1494 S HA -0.242 4.228 4.470 -0.000 0.000 0.237 1494 S C 1.791 176.407 174.600 0.026 0.000 1.060 1494 S CA 2.314 60.556 58.200 0.071 0.000 1.052 1494 S CB -0.610 62.614 63.200 0.041 0.000 0.871 1494 S HN 0.441 nan 8.310 nan 0.000 0.465 1495 L N 1.834 123.048 121.223 -0.015 0.000 2.021 1495 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 1495 L C 2.245 179.025 176.870 -0.150 0.000 1.074 1495 L CA 2.283 57.103 54.840 -0.033 0.000 0.760 1495 L CB -1.014 41.075 42.059 0.049 0.000 0.889 1495 L HN 0.294 nan 8.230 nan 0.000 0.433 1496 A N -1.858 120.732 122.820 -0.382 0.000 2.206 1496 A HA -0.098 4.222 4.320 -0.000 0.000 0.211 1496 A C 2.041 179.481 177.584 -0.241 0.000 1.158 1496 A CA 0.945 52.555 52.037 -0.712 0.000 0.761 1496 A CB -0.432 17.271 19.000 -2.162 0.000 0.801 1496 A HN 0.708 nan 8.150 nan 0.000 0.473 1497 Q N -0.694 119.137 119.800 0.053 0.000 2.123 1497 Q HA -0.107 4.233 4.340 -0.000 0.000 0.199 1497 Q C 2.240 178.297 176.000 0.095 0.000 0.966 1497 Q CA 1.406 57.329 55.803 0.199 0.000 0.845 1497 Q CB -0.133 28.709 28.738 0.175 0.000 0.907 1497 Q HN 0.727 nan 8.270 nan 0.000 0.439 1498 R N 0.825 121.349 120.500 0.040 0.000 2.193 1498 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 1498 R C 1.915 178.188 176.300 -0.044 0.000 1.055 1498 R CA 0.473 56.603 56.100 0.050 0.000 0.995 1498 R CB 0.055 30.396 30.300 0.069 0.000 0.893 1498 R HN 0.201 nan 8.270 nan 0.000 0.459 1499 L N 0.208 121.342 121.223 -0.149 0.000 2.072 1499 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 1499 L C 2.543 179.311 176.870 -0.170 0.000 1.079 1499 L CA 1.414 56.049 54.840 -0.342 0.000 0.752 1499 L CB -0.702 41.241 42.059 -0.194 0.000 0.906 1499 L HN 0.311 nan 8.230 nan 0.000 0.436 1500 E N 1.416 121.620 120.200 0.006 0.000 2.160 1500 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 1500 E C 1.643 178.304 176.600 0.102 0.000 0.991 1500 E CA 1.140 57.593 56.400 0.088 0.000 0.810 1500 E CB 0.116 29.908 29.700 0.154 0.000 0.742 1500 E HN 0.416 nan 8.360 nan 0.000 0.466 1501 K N 0.044 120.514 120.400 0.117 0.000 2.616 1501 K HA -0.006 4.314 4.320 -0.000 0.000 0.192 1501 K C 0.379 177.125 176.600 0.243 0.000 1.031 1501 K CA 0.138 56.517 56.287 0.153 0.000 1.004 1501 K CB -0.128 32.459 32.500 0.144 0.000 0.810 1501 K HN 0.334 nan 8.250 nan 0.000 0.497 1502 H N 0.037 119.142 119.070 0.058 0.000 2.490 1502 H HA 0.024 4.580 4.556 -0.000 0.000 0.354 1502 H C 1.145 176.482 175.328 0.015 0.000 1.365 1502 H CA -0.273 55.795 56.048 0.033 0.000 1.413 1502 H CB 1.236 31.021 29.762 0.038 0.000 1.631 1502 H HN 0.203 nan 8.280 nan 0.000 0.607 1503 E N 0.112 120.362 120.200 0.084 0.000 2.332 1503 E HA 0.097 4.447 4.350 -0.000 0.000 0.202 1503 E C 0.175 176.788 176.600 0.023 0.000 0.877 1503 E CA -0.078 56.339 56.400 0.028 0.000 0.979 1503 E CB 0.573 30.262 29.700 -0.019 0.000 0.969 1503 E HN 0.234 nan 8.360 nan 0.000 0.495 1504 L N 4.197 125.421 121.223 0.001 0.000 2.462 1504 L HA 0.207 4.547 4.340 -0.000 0.000 0.283 1504 L C 1.273 178.162 176.870 0.031 0.000 1.166 1504 L CA 0.056 54.884 54.840 -0.020 0.000 0.964 1504 L CB 0.296 42.299 42.059 -0.094 0.000 1.294 1504 L HN 0.426 nan 8.230 nan 0.000 0.449 1505 I N 0.063 120.652 120.570 0.032 0.000 2.576 1505 I HA -0.336 3.834 4.170 -0.000 0.000 0.263 1505 I C 1.659 177.823 176.117 0.079 0.000 1.183 1505 I CA 1.116 62.449 61.300 0.054 0.000 1.432 1505 I CB -0.332 37.684 38.000 0.026 0.000 1.100 1505 I HN 0.605 nan 8.210 nan 0.000 0.452 1506 E N 1.445 121.671 120.200 0.043 0.000 2.113 1506 E HA -0.253 4.097 4.350 -0.000 0.000 0.210 1506 E C 2.000 178.832 176.600 0.387 0.000 1.040 1506 E CA 2.241 58.701 56.400 0.100 0.000 0.847 1506 E CB -0.397 29.302 29.700 -0.002 0.000 0.755 1506 E HN 0.729 nan 8.360 nan 0.000 0.459 1507 F N -0.548 119.437 119.950 0.057 0.000 2.698 1507 F HA 0.133 4.660 4.527 -0.000 0.000 0.295 1507 F C 2.353 178.130 175.800 -0.037 0.000 1.124 1507 F CA -0.320 57.679 58.000 -0.001 0.000 1.426 1507 F CB 0.204 39.162 39.000 -0.069 0.000 1.120 1507 F HN -0.170 nan 8.300 nan 0.000 0.583 1508 R N 0.200 120.813 120.500 0.188 0.000 2.276 1508 R HA -0.016 4.324 4.340 -0.000 0.000 0.203 1508 R C 2.022 178.381 176.300 0.098 0.000 1.017 1508 R CA 0.338 56.504 56.100 0.111 0.000 1.010 1508 R CB -0.010 30.349 30.300 0.099 0.000 0.900 1508 R HN 0.195 nan 8.270 nan 0.000 0.469 1509 R N -0.059 120.510 120.500 0.114 0.000 2.175 1509 R HA 0.152 4.492 4.340 -0.000 0.000 0.202 1509 R C 1.668 178.036 176.300 0.113 0.000 1.018 1509 R CA 0.545 56.702 56.100 0.096 0.000 1.029 1509 R CB 0.329 30.672 30.300 0.073 0.000 0.959 1509 R HN 0.109 nan 8.270 nan 0.000 0.480 1510 I N -0.011 120.630 120.570 0.118 0.000 2.867 1510 I HA 0.044 4.214 4.170 -0.000 0.000 0.265 1510 I C 2.238 178.387 176.117 0.053 0.000 1.162 1510 I CA 0.566 61.936 61.300 0.118 0.000 1.471 1510 I CB -0.030 37.993 38.000 0.038 0.000 1.123 1510 I HN 0.127 nan 8.210 nan 0.000 0.440 1511 A N 1.177 123.986 122.820 -0.019 0.000 1.972 1511 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 1511 A C 2.528 180.087 177.584 -0.041 0.000 1.169 1511 A CA 1.830 53.770 52.037 -0.161 0.000 0.635 1511 A CB -0.625 18.314 19.000 -0.103 0.000 0.810 1511 A HN 0.412 nan 8.150 nan 0.000 0.446 1512 A N -1.066 121.801 122.820 0.078 0.000 1.877 1512 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 1512 A C 2.146 179.783 177.584 0.087 0.000 1.186 1512 A CA 1.683 53.784 52.037 0.107 0.000 0.620 1512 A CB -0.831 18.219 19.000 0.083 0.000 0.822 1512 A HN 0.785 nan 8.150 nan 0.000 0.443 1513 Y N 0.189 120.492 120.300 0.005 0.000 2.092 1513 Y HA -0.154 4.396 4.550 -0.000 0.000 0.282 1513 Y C 2.032 177.932 175.900 0.001 0.000 1.126 1513 Y CA 1.664 59.764 58.100 0.001 0.000 1.111 1513 Y CB -0.823 37.631 38.460 -0.011 0.000 0.987 1513 Y HN 0.226 nan 8.280 nan 0.000 0.489 1514 L N -0.811 120.149 121.223 -0.439 0.000 2.085 1514 L HA -0.337 4.003 4.340 -0.000 0.000 0.218 1514 L C 2.214 178.869 176.870 -0.358 0.000 1.080 1514 L CA 2.058 56.607 54.840 -0.485 0.000 0.776 1514 L CB -0.599 41.257 42.059 -0.337 0.000 0.891 1514 L HN 0.294 nan 8.230 nan 0.000 0.437 1515 F N 0.382 120.216 119.950 -0.193 0.000 2.206 1515 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 1515 F C 2.554 178.256 175.800 -0.163 0.000 1.090 1515 F CA 1.748 59.661 58.000 -0.145 0.000 1.323 1515 F CB -0.592 38.345 39.000 -0.105 0.000 1.028 1515 F HN 0.230 nan 8.300 nan 0.000 0.492 1516 K N 0.452 120.840 120.400 -0.021 0.000 2.031 1516 K HA 0.075 4.395 4.320 -0.000 0.000 0.205 1516 K C 1.346 177.877 176.600 -0.116 0.000 1.049 1516 K CA 0.906 57.158 56.287 -0.058 0.000 0.939 1516 K CB -1.171 31.295 32.500 -0.058 0.000 0.717 1516 K HN 0.131 nan 8.250 nan 0.000 0.438 1517 G N 2.923 111.511 108.800 -0.354 0.000 2.491 1517 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.246 1517 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.246 1517 G C 0.005 174.874 174.900 -0.052 0.000 0.174 1517 G CA 0.926 45.836 45.100 -0.316 0.000 1.114 1517 G HN 0.791 nan 8.290 nan 0.000 0.515 1518 N N -0.045 118.685 118.700 0.050 0.000 2.650 1518 N HA -0.234 4.505 4.740 -0.000 0.000 0.249 1518 N C -0.019 175.511 175.510 0.034 0.000 1.155 1518 N CA 1.762 54.847 53.050 0.059 0.000 0.747 1518 N CB -0.602 37.913 38.487 0.048 0.000 1.132 1518 N HN 0.694 nan 8.380 nan 0.000 0.564 1519 N N -0.358 118.359 118.700 0.028 0.000 2.675 1519 N HA 0.222 4.962 4.740 -0.000 0.000 0.254 1519 N C 0.109 175.656 175.510 0.061 0.000 1.224 1519 N CA -0.421 52.655 53.050 0.044 0.000 0.777 1519 N CB 0.770 39.280 38.487 0.038 0.000 1.256 1519 N HN 0.160 nan 8.380 nan 0.000 0.531 1520 R N 0.124 120.662 120.500 0.064 0.000 2.159 1520 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 1520 R C 1.714 178.023 176.300 0.015 0.000 1.131 1520 R CA 1.076 57.197 56.100 0.035 0.000 0.982 1520 R CB -0.250 30.078 30.300 0.048 0.000 0.868 1520 R HN 0.597 nan 8.270 nan 0.000 0.453 1521 W N 2.044 123.290 121.300 -0.091 0.000 2.335 1521 W HA -0.219 4.441 4.660 -0.000 0.000 0.311 1521 W C 1.255 177.691 176.519 -0.138 0.000 1.213 1521 W CA 1.520 58.803 57.345 -0.103 0.000 1.274 1521 W CB 0.048 29.459 29.460 -0.082 0.000 1.148 1521 W HN -0.130 nan 8.180 nan 0.000 0.498 1522 K N 0.329 120.802 120.400 0.120 0.000 1.977 1522 K HA -0.310 4.010 4.320 -0.000 0.000 0.218 1522 K C 1.918 178.286 176.600 -0.387 0.000 1.051 1522 K CA 2.186 58.384 56.287 -0.147 0.000 0.953 1522 K CB -1.613 30.913 32.500 0.044 0.000 0.727 1522 K HN 0.423 nan 8.250 nan 0.000 0.445 1523 Q N 1.014 120.635 119.800 -0.298 0.000 2.182 1523 Q HA -0.247 4.093 4.340 -0.000 0.000 0.213 1523 Q C 2.025 177.634 176.000 -0.651 0.000 1.000 1523 Q CA 3.022 58.575 55.803 -0.417 0.000 0.889 1523 Q CB -0.068 28.391 28.738 -0.464 0.000 0.932 1523 Q HN 0.458 nan 8.270 nan 0.000 0.415 1524 S N -0.789 114.464 115.700 -0.745 0.000 2.348 1524 S HA -0.061 4.409 4.470 -0.000 0.000 0.219 1524 S C 1.820 176.104 174.600 -0.526 0.000 1.033 1524 S CA 0.809 58.636 58.200 -0.623 0.000 0.974 1524 S CB -0.667 62.307 63.200 -0.376 0.000 0.868 1524 S HN 0.303 nan 8.310 nan 0.000 0.459 1525 V N 1.526 121.016 119.914 -0.707 0.000 3.440 1525 V HA 0.096 4.216 4.120 -0.000 0.000 0.274 1525 V C -0.079 175.671 176.094 -0.573 0.000 1.207 1525 V CA 1.233 63.079 62.300 -0.756 0.000 1.183 1525 V CB -1.040 29.946 31.823 -1.395 0.000 0.837 1525 V HN 0.476 nan 8.190 nan 0.000 0.532 1526 E N -0.752 119.160 120.200 -0.480 0.000 3.386 1526 E HA 0.376 4.726 4.350 -0.000 0.000 0.236 1526 E C -0.264 176.163 176.600 -0.289 0.000 1.227 1526 E CA -0.123 56.065 56.400 -0.352 0.000 0.970 1526 E CB 1.194 30.697 29.700 -0.329 0.000 1.343 1526 E HN 0.240 nan 8.360 nan 0.000 0.397 1527 L N -0.283 120.760 121.223 -0.299 0.000 3.223 1527 L HA 0.464 4.804 4.340 -0.000 0.000 0.168 1527 L C 0.676 177.405 176.870 -0.235 0.000 1.239 1527 L CA 0.232 54.909 54.840 -0.272 0.000 0.856 1527 L CB -0.442 41.398 42.059 -0.365 0.000 1.415 1527 L HN 0.570 nan 8.230 nan 0.000 0.562 1528 C N -0.498 118.621 119.300 -0.302 0.000 0.168 1528 C HA -0.263 4.197 4.460 -0.000 0.000 0.017 1528 C C 2.321 177.221 174.990 -0.150 0.000 0.171 1528 C CA 0.019 58.906 59.018 -0.218 0.000 0.499 1528 C CB -1.251 26.397 27.740 -0.154 0.000 3.212 1528 C HN 0.741 nan 8.230 nan 0.000 1.118 1529 K N 1.152 121.510 120.400 -0.070 0.000 1.990 1529 K HA -0.227 4.093 4.320 -0.000 0.000 0.225 1529 K C 1.080 177.646 176.600 -0.056 0.000 1.053 1529 K CA 2.353 58.627 56.287 -0.023 0.000 0.982 1529 K CB -0.415 32.081 32.500 -0.007 0.000 0.734 1529 K HN 0.729 nan 8.250 nan 0.000 0.448 1530 K N 1.080 121.447 120.400 -0.055 0.000 2.344 1530 K HA -0.131 4.189 4.320 -0.000 0.000 0.260 1530 K C -0.275 176.280 176.600 -0.075 0.000 0.988 1530 K CA 0.685 56.938 56.287 -0.056 0.000 0.909 1530 K CB 0.378 32.856 32.500 -0.037 0.000 0.968 1530 K HN 0.196 nan 8.250 nan 0.000 0.505 1531 D N -0.227 120.137 120.400 -0.060 0.000 2.997 1531 D HA -0.185 4.455 4.640 -0.000 0.000 0.226 1531 D C -0.616 175.644 176.300 -0.067 0.000 1.189 1531 D CA 1.353 55.324 54.000 -0.049 0.000 0.834 1531 D CB -1.213 39.561 40.800 -0.043 0.000 1.105 1531 D HN 0.355 nan 8.370 nan 0.000 0.415 1532 S N -0.012 115.620 115.700 -0.113 0.000 2.404 1532 S HA 0.478 4.948 4.470 -0.000 0.000 0.309 1532 S C -0.587 173.893 174.600 -0.200 0.000 1.076 1532 S CA -0.860 57.263 58.200 -0.129 0.000 1.095 1532 S CB 0.549 63.684 63.200 -0.109 0.000 0.972 1532 S HN 0.230 nan 8.310 nan 0.000 0.484 1533 L N 6.891 128.032 121.223 -0.137 0.000 2.287 1533 L HA 0.494 4.834 4.340 -0.000 0.000 0.287 1533 L C -0.189 176.615 176.870 -0.110 0.000 1.022 1533 L CA -0.432 54.302 54.840 -0.177 0.000 0.814 1533 L CB 0.557 42.577 42.059 -0.065 0.000 1.217 1533 L HN 0.730 nan 8.230 nan 0.000 0.420 1534 Y N 3.706 124.029 120.300 0.038 0.000 2.736 1534 Y HA -0.142 4.408 4.550 -0.000 0.000 0.298 1534 Y C 1.506 177.363 175.900 -0.071 0.000 1.156 1534 Y CA 0.609 58.723 58.100 0.024 0.000 1.384 1534 Y CB -0.614 37.843 38.460 -0.004 0.000 0.976 1534 Y HN 0.553 nan 8.280 nan 0.000 0.556 1535 K N -0.325 120.091 120.400 0.026 0.000 2.183 1535 K HA 0.003 4.323 4.320 -0.000 0.000 0.218 1535 K C 1.507 178.045 176.600 -0.102 0.000 1.025 1535 K CA 0.838 57.091 56.287 -0.057 0.000 0.944 1535 K CB -0.885 31.595 32.500 -0.033 0.000 0.936 1535 K HN 0.061 nan 8.250 nan 0.000 0.460 1536 D N 1.169 121.517 120.400 -0.087 0.000 2.309 1536 D HA -0.044 4.596 4.640 -0.000 0.000 0.212 1536 D C 1.439 177.435 176.300 -0.507 0.000 0.968 1536 D CA 0.782 54.711 54.000 -0.119 0.000 0.882 1536 D CB 0.112 40.934 40.800 0.036 0.000 0.918 1536 D HN 0.323 nan 8.370 nan 0.000 0.503 1537 A N -0.233 122.261 122.820 -0.543 0.000 2.066 1537 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 1537 A C 1.710 178.958 177.584 -0.560 0.000 1.157 1537 A CA 0.736 52.161 52.037 -1.021 0.000 0.670 1537 A CB -0.137 18.739 19.000 -0.205 0.000 0.804 1537 A HN 0.158 nan 8.150 nan 0.000 0.453 1538 M N -0.556 118.936 119.600 -0.181 0.000 2.505 1538 M HA 0.143 4.623 4.480 -0.000 0.000 0.230 1538 M C 0.814 177.166 176.300 0.087 0.000 1.153 1538 M CA 0.592 55.952 55.300 0.100 0.000 0.997 1538 M CB 0.139 32.796 32.600 0.095 0.000 1.606 1538 M HN 0.373 nan 8.290 nan 0.000 0.481 1539 Q N -1.227 118.517 119.800 -0.094 0.000 2.279 1539 Q HA 0.108 4.448 4.340 -0.000 0.000 0.261 1539 Q C 1.387 177.428 176.000 0.068 0.000 0.796 1539 Q CA 0.544 56.362 55.803 0.025 0.000 0.971 1539 Q CB -0.030 28.728 28.738 0.034 0.000 1.179 1539 Q HN 0.652 nan 8.270 nan 0.000 0.505 1540 Y N -0.756 119.596 120.300 0.086 0.000 2.546 1540 Y HA 0.531 5.081 4.550 -0.000 0.000 0.287 1540 Y C 1.732 177.644 175.900 0.020 0.000 1.158 1540 Y CA 0.093 58.223 58.100 0.051 0.000 1.307 1540 Y CB -0.843 37.643 38.460 0.042 0.000 1.036 1540 Y HN -0.020 nan 8.280 nan 0.000 0.532 1541 A N 0.388 123.387 122.820 0.298 0.000 1.878 1541 A HA -0.083 4.237 4.320 -0.000 0.000 0.213 1541 A C 2.492 180.077 177.584 0.002 0.000 1.192 1541 A CA 1.305 53.431 52.037 0.149 0.000 0.619 1541 A CB -1.284 17.746 19.000 0.049 0.000 0.837 1541 A HN 0.428 nan 8.150 nan 0.000 0.446 1542 S N 0.324 116.022 115.700 -0.005 0.000 2.406 1542 S HA -0.333 4.137 4.470 -0.000 0.000 0.242 1542 S C 1.724 176.169 174.600 -0.259 0.000 1.079 1542 S CA 2.337 60.481 58.200 -0.092 0.000 1.133 1542 S CB -0.565 62.670 63.200 0.058 0.000 1.005 1542 S HN 0.660 nan 8.310 nan 0.000 0.443 1543 E N 0.955 121.081 120.200 -0.124 0.000 2.338 1543 E HA 0.029 4.379 4.350 -0.000 0.000 0.197 1543 E C 1.000 177.542 176.600 -0.097 0.000 1.007 1543 E CA 0.291 56.617 56.400 -0.124 0.000 0.849 1543 E CB -0.080 29.612 29.700 -0.014 0.000 0.774 1543 E HN 0.461 nan 8.360 nan 0.000 0.506 1544 S N 0.453 116.113 115.700 -0.067 0.000 2.589 1544 S HA -0.015 4.455 4.470 -0.000 0.000 0.256 1544 S C 0.982 175.548 174.600 -0.057 0.000 1.383 1544 S CA 0.318 58.499 58.200 -0.033 0.000 0.983 1544 S CB 0.650 63.841 63.200 -0.015 0.000 0.908 1544 S HN 0.150 nan 8.310 nan 0.000 0.572 1545 K N -0.497 119.891 120.400 -0.019 0.000 2.567 1545 K HA 0.114 4.434 4.320 -0.000 0.000 0.218 1545 K C -0.267 176.331 176.600 -0.004 0.000 1.440 1545 K CA 0.034 56.307 56.287 -0.023 0.000 0.995 1545 K CB 0.364 32.853 32.500 -0.018 0.000 1.186 1545 K HN 0.442 nan 8.250 nan 0.000 0.593 1546 D N 1.810 122.224 120.400 0.023 0.000 2.856 1546 D HA 0.029 4.669 4.640 -0.000 0.000 0.242 1546 D C 0.465 176.784 176.300 0.032 0.000 1.226 1546 D CA 0.489 54.514 54.000 0.041 0.000 0.855 1546 D CB 0.024 40.885 40.800 0.102 0.000 1.065 1546 D HN 0.062 nan 8.370 nan 0.000 0.462 1547 T N 0.295 114.853 114.554 0.006 0.000 2.418 1547 T HA -0.390 3.960 4.350 -0.000 0.000 0.207 1547 T C 1.547 176.257 174.700 0.017 0.000 1.485 1547 T CA 2.113 64.214 62.100 0.001 0.000 1.014 1547 T CB -0.503 68.373 68.868 0.013 0.000 0.785 1547 T HN 0.427 nan 8.240 nan 0.000 0.470 1548 E N 1.280 121.503 120.200 0.039 0.000 2.208 1548 E HA -0.115 4.234 4.350 -0.000 0.000 0.202 1548 E C 2.132 178.777 176.600 0.074 0.000 1.014 1548 E CA 0.616 57.051 56.400 0.058 0.000 0.819 1548 E CB -0.699 29.035 29.700 0.056 0.000 0.735 1548 E HN 0.390 nan 8.360 nan 0.000 0.469 1549 L N 0.446 121.708 121.223 0.065 0.000 2.351 1549 L HA -0.135 4.205 4.340 -0.000 0.000 0.220 1549 L C 2.148 179.059 176.870 0.068 0.000 1.127 1549 L CA 1.376 56.257 54.840 0.069 0.000 0.786 1549 L CB -1.221 40.873 42.059 0.058 0.000 0.914 1549 L HN 0.096 nan 8.230 nan 0.000 0.443 1550 A N -0.450 122.386 122.820 0.026 0.000 1.873 1550 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 1550 A C 2.148 179.942 177.584 0.351 0.000 1.186 1550 A CA 1.290 53.333 52.037 0.010 0.000 0.616 1550 A CB -0.336 18.627 19.000 -0.062 0.000 0.823 1550 A HN 0.454 nan 8.150 nan 0.000 0.442 1551 E N -0.359 119.987 120.200 0.244 0.000 2.153 1551 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 1551 E C 1.976 178.727 176.600 0.251 0.000 0.988 1551 E CA 1.000 57.543 56.400 0.239 0.000 0.811 1551 E CB -0.124 29.661 29.700 0.141 0.000 0.746 1551 E HN 0.617 nan 8.360 nan 0.000 0.466 1552 E N 0.801 121.127 120.200 0.210 0.000 2.012 1552 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 1552 E C 2.360 179.136 176.600 0.293 0.000 1.007 1552 E CA 0.860 57.372 56.400 0.187 0.000 0.816 1552 E CB -0.266 29.500 29.700 0.111 0.000 0.762 1552 E HN 0.244 nan 8.360 nan 0.000 0.451 1553 L N 0.478 121.920 121.223 0.364 0.000 1.971 1553 L HA -0.253 4.087 4.340 -0.000 0.000 0.215 1553 L C 2.755 180.143 176.870 0.864 0.000 1.072 1553 L CA 0.850 56.041 54.840 0.585 0.000 0.758 1553 L CB -0.551 41.936 42.059 0.714 0.000 0.889 1553 L HN 0.165 nan 8.230 nan 0.000 0.433 1554 L N -0.086 121.713 121.223 0.960 0.000 1.971 1554 L HA -0.295 4.045 4.340 -0.000 0.000 0.215 1554 L C 2.639 179.770 176.870 0.433 0.000 1.072 1554 L CA 1.954 57.226 54.840 0.721 0.000 0.758 1554 L CB -0.712 41.586 42.059 0.399 0.000 0.889 1554 L HN 0.274 nan 8.230 nan 0.000 0.433 1555 Q N -1.332 118.670 119.800 0.338 0.000 2.173 1555 Q HA -0.303 4.037 4.340 -0.000 0.000 0.208 1555 Q C 1.955 178.102 176.000 0.245 0.000 0.989 1555 Q CA 2.638 58.584 55.803 0.238 0.000 0.872 1555 Q CB -0.737 28.120 28.738 0.199 0.000 0.909 1555 Q HN 0.680 nan 8.270 nan 0.000 0.420 1556 W N -0.461 120.916 121.300 0.128 0.000 2.407 1556 W HA -0.092 4.568 4.660 -0.000 0.000 0.305 1556 W C 1.323 177.868 176.519 0.043 0.000 1.196 1556 W CA 1.069 58.435 57.345 0.034 0.000 1.311 1556 W CB -0.819 28.593 29.460 -0.080 0.000 1.135 1556 W HN 0.142 nan 8.180 nan 0.000 0.514 1557 F N 0.974 120.467 119.950 -0.760 0.000 2.085 1557 F HA -0.305 4.222 4.527 0.000 0.000 0.299 1557 F C 2.394 177.851 175.800 -0.572 0.000 1.096 1557 F CA 2.261 59.628 58.000 -1.055 0.000 1.227 1557 F CB -1.591 37.099 39.000 -0.517 0.000 0.983 1557 F HN -0.008 nan 8.300 nan 0.000 0.482 1558 L N 0.205 121.381 121.223 -0.079 0.000 1.989 1558 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 1558 L C 2.116 178.947 176.870 -0.066 0.000 1.071 1558 L CA 1.951 56.770 54.840 -0.035 0.000 0.749 1558 L CB -0.905 41.186 42.059 0.054 0.000 0.890 1558 L HN 0.199 nan 8.230 nan 0.000 0.431 1559 Q N -1.341 118.429 119.800 -0.049 0.000 2.482 1559 Q HA -0.051 4.289 4.340 -0.000 0.000 0.209 1559 Q C 1.005 176.998 176.000 -0.012 0.000 0.961 1559 Q CA 0.600 56.397 55.803 -0.011 0.000 0.945 1559 Q CB 0.317 29.087 28.738 0.054 0.000 1.012 1559 Q HN 0.535 nan 8.270 nan 0.000 0.515 1560 E N -0.746 119.392 120.200 -0.103 0.000 2.633 1560 E HA 0.089 4.439 4.350 -0.000 0.000 0.214 1560 E C -0.403 176.160 176.600 -0.061 0.000 0.898 1560 E CA 0.294 56.683 56.400 -0.019 0.000 1.422 1560 E CB 1.164 30.986 29.700 0.203 0.000 1.398 1560 E HN 0.035 nan 8.360 nan 0.000 0.752 1561 E N -0.336 119.733 120.200 -0.219 0.000 2.456 1561 E HA 0.346 4.696 4.350 -0.000 0.000 0.276 1561 E C 0.020 176.573 176.600 -0.079 0.000 0.981 1561 E CA -0.296 56.039 56.400 -0.109 0.000 0.814 1561 E CB 1.204 30.814 29.700 -0.149 0.000 1.382 1561 E HN -0.317 nan 8.360 nan 0.000 0.459 1562 K N 0.582 120.959 120.400 -0.039 0.000 2.425 1562 K HA 0.235 4.555 4.320 -0.000 0.000 0.201 1562 K C 0.909 177.476 176.600 -0.055 0.000 1.128 1562 K CA -0.046 56.212 56.287 -0.048 0.000 1.000 1562 K CB 0.410 32.880 32.500 -0.050 0.000 0.961 1562 K HN 0.357 nan 8.250 nan 0.000 0.555 1563 R N 2.697 123.172 120.500 -0.041 0.000 2.386 1563 R HA -0.047 4.293 4.340 -0.000 0.000 0.216 1563 R C 1.297 177.518 176.300 -0.132 0.000 1.119 1563 R CA 0.219 56.289 56.100 -0.050 0.000 1.158 1563 R CB -0.056 30.233 30.300 -0.018 0.000 1.057 1563 R HN 0.281 nan 8.270 nan 0.000 0.489 1564 E N -0.967 119.129 120.200 -0.173 0.000 2.187 1564 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 1564 E C 1.366 177.739 176.600 -0.378 0.000 1.004 1564 E CA 1.549 57.733 56.400 -0.359 0.000 0.813 1564 E CB -0.540 29.059 29.700 -0.168 0.000 0.736 1564 E HN 0.363 nan 8.360 nan 0.000 0.468 1565 C N 0.851 120.034 119.300 -0.195 0.000 2.437 1565 C HA -0.198 4.262 4.460 -0.000 0.000 0.284 1565 C C 2.398 177.241 174.990 -0.246 0.000 1.208 1565 C CA 1.020 59.944 59.018 -0.156 0.000 1.764 1565 C CB -1.468 26.242 27.740 -0.050 0.000 2.039 1565 C HN 0.503 nan 8.230 nan 0.000 0.444 1566 F N 1.929 121.711 119.950 -0.281 0.000 2.236 1566 F HA -0.029 4.498 4.527 -0.000 0.000 0.302 1566 F C 2.079 177.631 175.800 -0.412 0.000 1.073 1566 F CA 1.393 59.231 58.000 -0.271 0.000 1.336 1566 F CB -0.765 38.135 39.000 -0.166 0.000 1.040 1566 F HN 0.269 nan 8.300 nan 0.000 0.507 1567 G N -0.409 108.099 108.800 -0.487 0.000 2.679 1567 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 1567 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 1567 G C 1.765 175.815 174.900 -1.417 0.000 1.315 1567 G CA 0.775 45.180 45.100 -1.158 0.000 0.836 1567 G HN 0.467 nan 8.290 nan 0.000 0.580 1568 A N -0.988 121.105 122.820 -1.211 0.000 2.255 1568 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 1568 A C 2.303 179.390 177.584 -0.828 0.000 1.175 1568 A CA 1.932 53.401 52.037 -0.945 0.000 0.682 1568 A CB -0.771 17.952 19.000 -0.461 0.000 0.784 1568 A HN 0.418 nan 8.150 nan 0.000 0.482 1569 C N -2.375 116.402 119.300 -0.872 0.000 2.587 1569 C HA 0.200 4.660 4.460 -0.000 0.000 0.287 1569 C C 2.345 176.943 174.990 -0.654 0.000 1.374 1569 C CA 0.501 58.847 59.018 -1.119 0.000 1.770 1569 C CB -1.268 25.952 27.740 -0.867 0.000 2.137 1569 C HN 0.695 nan 8.230 nan 0.000 0.550 1570 L N 0.405 121.367 121.223 -0.436 0.000 2.261 1570 L HA -0.127 4.213 4.340 -0.000 0.000 0.216 1570 L C 2.160 179.096 176.870 0.111 0.000 1.114 1570 L CA 1.567 56.299 54.840 -0.180 0.000 0.777 1570 L CB -0.374 41.647 42.059 -0.063 0.000 0.910 1570 L HN 0.186 nan 8.230 nan 0.000 0.440 1571 F N 0.411 120.241 119.950 -0.200 0.000 2.031 1571 F HA -0.236 4.291 4.527 -0.000 0.000 0.295 1571 F C 2.842 178.602 175.800 -0.066 0.000 1.133 1571 F CA 1.825 59.772 58.000 -0.088 0.000 1.188 1571 F CB -1.614 37.325 39.000 -0.103 0.000 0.974 1571 F HN 0.243 nan 8.300 nan 0.000 0.473 1572 T N -1.899 112.690 114.554 0.058 0.000 2.607 1572 T HA -0.308 4.042 4.350 -0.000 0.000 0.267 1572 T C 2.192 176.947 174.700 0.091 0.000 1.049 1572 T CA 1.792 63.932 62.100 0.068 0.000 1.162 1572 T CB -1.572 67.367 68.868 0.117 0.000 0.863 1572 T HN 0.327 nan 8.240 nan 0.000 0.424 1573 C N -0.063 119.257 119.300 0.033 0.000 2.391 1573 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 1573 C C 1.358 176.305 174.990 -0.071 0.000 1.191 1573 C CA -0.088 58.917 59.018 -0.022 0.000 1.808 1573 C CB -1.788 25.900 27.740 -0.087 0.000 2.095 1573 C HN 0.566 nan 8.230 nan 0.000 0.478 1574 Y N 2.091 122.369 120.300 -0.037 0.000 2.624 1574 Y HA 0.220 4.770 4.550 0.000 0.000 0.354 1574 Y C 0.782 176.663 175.900 -0.032 0.000 1.051 1574 Y CA 0.560 58.642 58.100 -0.031 0.000 1.377 1574 Y CB -0.783 37.668 38.460 -0.015 0.000 1.168 1574 Y HN 0.479 nan 8.280 nan 0.000 0.525 1575 D N 0.835 121.295 120.400 0.102 0.000 3.899 1575 D HA -0.327 4.313 4.640 -0.000 0.000 0.146 1575 D C -1.288 175.033 176.300 0.035 0.000 0.820 1575 D CA 1.838 55.870 54.000 0.053 0.000 1.056 1575 D CB -0.732 40.138 40.800 0.116 0.000 0.474 1575 D HN 0.338 nan 8.370 nan 0.000 0.457 1576 L N -0.162 121.104 121.223 0.072 0.000 2.614 1576 L HA 0.469 4.809 4.340 -0.000 0.000 0.264 1576 L C -0.679 176.239 176.870 0.080 0.000 0.940 1576 L CA -0.391 54.496 54.840 0.078 0.000 0.903 1576 L CB 1.569 43.669 42.059 0.068 0.000 1.306 1576 L HN 0.529 nan 8.230 nan 0.000 0.410 1577 L N 1.058 122.335 121.223 0.090 0.000 2.993 1577 L HA 0.599 4.939 4.340 -0.000 0.000 0.264 1577 L C 0.749 177.683 176.870 0.106 0.000 1.154 1577 L CA -0.331 54.553 54.840 0.074 0.000 0.972 1577 L CB 0.145 42.226 42.059 0.037 0.000 1.373 1577 L HN 0.415 nan 8.230 nan 0.000 0.564 1578 R N 2.529 123.111 120.500 0.137 0.000 2.755 1578 R HA 0.458 4.798 4.340 -0.000 0.000 0.268 1578 R C -2.417 173.962 176.300 0.130 0.000 1.295 1578 R CA -1.786 54.409 56.100 0.159 0.000 1.379 1578 R CB 0.577 30.991 30.300 0.190 0.000 1.170 1578 R HN 0.129 nan 8.270 nan 0.000 0.584 1579 P HA 0.132 nan 4.420 nan 0.000 0.312 1579 P C 0.351 177.690 177.300 0.065 0.000 1.307 1579 P CA -0.325 62.821 63.100 0.076 0.000 0.738 1579 P CB 0.750 32.483 31.700 0.055 0.000 1.422 1580 D N -1.068 119.359 120.400 0.045 0.000 2.117 1580 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 1580 D C 2.001 178.253 176.300 -0.080 0.000 0.982 1580 D CA 0.960 54.972 54.000 0.020 0.000 0.828 1580 D CB -1.123 39.701 40.800 0.039 0.000 0.967 1580 D HN -0.084 nan 8.370 nan 0.000 0.464 1581 V N 1.080 120.960 119.914 -0.056 0.000 2.277 1581 V HA -0.289 3.831 4.120 -0.000 0.000 0.255 1581 V C 2.596 178.607 176.094 -0.138 0.000 1.074 1581 V CA 1.624 63.869 62.300 -0.091 0.000 1.058 1581 V CB -0.744 31.058 31.823 -0.034 0.000 0.656 1581 V HN 0.090 nan 8.190 nan 0.000 0.449 1582 V N -0.772 119.105 119.914 -0.062 0.000 2.446 1582 V HA -0.092 4.028 4.120 -0.000 0.000 0.244 1582 V C 2.202 178.269 176.094 -0.044 0.000 1.039 1582 V CA 1.323 63.603 62.300 -0.032 0.000 1.045 1582 V CB -0.499 31.372 31.823 0.080 0.000 0.681 1582 V HN 0.439 nan 8.190 nan 0.000 0.459 1583 L N 0.256 121.484 121.223 0.008 0.000 2.261 1583 L HA -0.216 4.123 4.340 -0.000 0.000 0.216 1583 L C 2.472 179.021 176.870 -0.536 0.000 1.114 1583 L CA 1.931 56.877 54.840 0.178 0.000 0.777 1583 L CB -0.404 41.809 42.059 0.256 0.000 0.910 1583 L HN 0.497 nan 8.230 nan 0.000 0.440 1584 E N -0.334 119.134 120.200 -1.220 0.000 2.099 1584 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 1584 E C 1.942 177.824 176.600 -1.198 0.000 0.962 1584 E CA 0.887 55.857 56.400 -2.384 0.000 0.826 1584 E CB 0.179 28.958 29.700 -1.536 0.000 0.788 1584 E HN 0.246 nan 8.360 nan 0.000 0.461 1585 T N 0.944 115.115 114.554 -0.638 0.000 2.755 1585 T HA -0.276 4.074 4.350 -0.000 0.000 0.266 1585 T C 1.668 176.122 174.700 -0.411 0.000 1.041 1585 T CA 1.508 63.357 62.100 -0.418 0.000 1.147 1585 T CB -0.305 68.398 68.868 -0.274 0.000 0.847 1585 T HN 0.329 nan 8.240 nan 0.000 0.478 1586 A N -0.090 122.370 122.820 -0.600 0.000 2.123 1586 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 1586 A C 1.924 179.260 177.584 -0.414 0.000 1.152 1586 A CA 0.510 52.139 52.037 -0.681 0.000 0.728 1586 A CB -0.472 17.454 19.000 -1.790 0.000 0.814 1586 A HN 0.569 nan 8.150 nan 0.000 0.464 1587 W N 0.577 121.643 121.300 -0.392 0.000 2.463 1587 W HA 0.006 4.666 4.660 -0.000 0.000 0.316 1587 W C 2.403 178.858 176.519 -0.106 0.000 1.170 1587 W CA 0.650 57.866 57.345 -0.215 0.000 1.355 1587 W CB -1.398 27.991 29.460 -0.119 0.000 1.159 1587 W HN 0.514 nan 8.180 nan 0.000 0.487 1588 R N -0.070 120.519 120.500 0.148 0.000 2.122 1588 R HA -0.222 4.118 4.340 -0.000 0.000 0.236 1588 R C 1.971 178.345 176.300 0.124 0.000 1.129 1588 R CA 2.216 58.373 56.100 0.094 0.000 0.925 1588 R CB -1.428 28.878 30.300 0.011 0.000 0.850 1588 R HN 0.209 nan 8.270 nan 0.000 0.431 1589 H N 0.644 119.684 119.070 -0.049 0.000 4.640 1589 H HA -0.080 4.476 4.556 -0.000 0.000 0.284 1589 H C 0.169 175.468 175.328 -0.049 0.000 0.999 1589 H CA 0.710 56.726 56.048 -0.054 0.000 0.820 1589 H CB -0.294 29.418 29.762 -0.082 0.000 2.120 1589 H HN 0.498 nan 8.280 nan 0.000 1.457 1590 N N 3.101 121.829 118.700 0.048 0.000 2.874 1590 N HA -0.100 4.640 4.740 -0.000 0.000 0.316 1590 N C 1.227 176.733 175.510 -0.006 0.000 1.205 1590 N CA 0.283 53.325 53.050 -0.014 0.000 1.180 1590 N CB -0.254 38.221 38.487 -0.019 0.000 1.450 1590 N HN 0.540 nan 8.380 nan 0.000 0.528 1591 I N -0.017 120.562 120.570 0.016 0.000 3.256 1591 I HA -0.394 3.776 4.170 -0.000 0.000 0.193 1591 I C 0.977 177.115 176.117 0.035 0.000 0.822 1591 I CA 1.790 63.104 61.300 0.024 0.000 1.104 1591 I CB 0.024 38.033 38.000 0.015 0.000 0.853 1591 I HN 0.512 nan 8.210 nan 0.000 0.331 1592 M N 1.261 120.881 119.600 0.033 0.000 2.368 1592 M HA 0.211 4.691 4.480 -0.000 0.000 0.311 1592 M C -1.097 175.246 176.300 0.073 0.000 1.168 1592 M CA 0.378 55.708 55.300 0.049 0.000 1.044 1592 M CB 0.616 33.236 32.600 0.032 0.000 1.506 1592 M HN 0.624 nan 8.290 nan 0.000 0.475 1593 D N 2.697 123.158 120.400 0.101 0.000 4.736 1593 D HA -0.174 4.466 4.640 -0.000 0.000 0.234 1593 D C -0.810 175.673 176.300 0.305 0.000 1.210 1593 D CA 0.537 54.624 54.000 0.144 0.000 1.126 1593 D CB -1.077 39.791 40.800 0.113 0.000 0.669 1593 D HN 0.679 nan 8.370 nan 0.000 0.319 1594 F N 0.343 120.328 119.950 0.057 0.000 2.271 1594 F HA 0.201 4.728 4.527 -0.000 0.000 0.457 1594 F C 0.382 176.229 175.800 0.079 0.000 0.867 1594 F CA 0.517 58.570 58.000 0.088 0.000 0.688 1594 F CB -0.504 38.579 39.000 0.138 0.000 1.295 1594 F HN 0.586 nan 8.300 nan 0.000 0.520 1595 A N 1.875 124.770 122.820 0.126 0.000 2.522 1595 A HA 0.476 4.796 4.320 -0.000 0.000 0.256 1595 A C 0.349 177.934 177.584 0.001 0.000 1.086 1595 A CA 1.394 53.438 52.037 0.010 0.000 0.763 1595 A CB -0.137 18.875 19.000 0.020 0.000 1.024 1595 A HN 0.547 nan 8.150 nan 0.000 0.502 1596 M N 0.381 119.949 119.600 -0.053 0.000 1.497 1596 M HA 0.256 4.736 4.480 -0.000 0.000 0.173 1596 M C -2.527 173.689 176.300 -0.140 0.000 1.112 1596 M CA -0.042 55.304 55.300 0.076 0.000 0.740 1596 M CB -1.415 31.300 32.600 0.193 0.000 1.643 1596 M HN 0.225 nan 8.290 nan 0.000 0.625 1597 P HA -0.186 nan 4.420 nan 0.000 0.260 1597 P C -1.109 175.773 177.300 -0.697 0.000 1.088 1597 P CA 1.591 64.355 63.100 -0.560 0.000 0.748 1597 P CB -0.116 31.215 31.700 -0.615 0.000 0.660 1598 Y N 1.607 121.854 120.300 -0.087 0.000 3.006 1598 Y HA 0.102 4.652 4.550 -0.000 0.000 0.236 1598 Y C 1.963 177.833 175.900 -0.050 0.000 1.088 1598 Y CA 0.153 58.262 58.100 0.016 0.000 1.307 1598 Y CB -0.846 37.666 38.460 0.087 0.000 1.445 1598 Y HN 0.354 nan 8.280 nan 0.000 0.433 1599 F N -0.067 119.883 119.950 -0.000 0.000 2.149 1599 F HA 0.095 4.622 4.527 -0.000 0.000 0.294 1599 F C 1.760 177.523 175.800 -0.061 0.000 1.095 1599 F CA 0.763 58.736 58.000 -0.046 0.000 1.276 1599 F CB -1.524 37.443 39.000 -0.055 0.000 1.023 1599 F HN -0.104 nan 8.300 nan 0.000 0.480 1600 I N 0.412 120.392 120.570 -0.983 0.000 2.381 1600 I HA -0.294 3.876 4.170 -0.000 0.000 0.255 1600 I C 1.834 177.788 176.117 -0.270 0.000 1.140 1600 I CA 1.391 62.352 61.300 -0.565 0.000 1.404 1600 I CB -0.592 36.990 38.000 -0.697 0.000 1.075 1600 I HN 0.283 nan 8.210 nan 0.000 0.433 1601 Q N -0.393 119.254 119.800 -0.255 0.000 2.376 1601 Q HA 0.043 4.383 4.340 -0.000 0.000 0.206 1601 Q C 2.220 178.189 176.000 -0.052 0.000 0.921 1601 Q CA 0.507 56.230 55.803 -0.133 0.000 0.911 1601 Q CB -0.200 28.452 28.738 -0.144 0.000 1.032 1601 Q HN 0.286 nan 8.270 nan 0.000 0.510 1602 V N 1.476 121.360 119.914 -0.050 0.000 2.392 1602 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 1602 V C 2.034 178.123 176.094 -0.009 0.000 1.059 1602 V CA 2.179 64.471 62.300 -0.013 0.000 1.051 1602 V CB -0.717 31.085 31.823 -0.035 0.000 0.658 1602 V HN 0.552 nan 8.190 nan 0.000 0.455 1603 M N -1.638 117.945 119.600 -0.029 0.000 2.447 1603 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 1603 M C 1.964 178.325 176.300 0.102 0.000 1.095 1603 M CA 1.403 56.715 55.300 0.019 0.000 1.125 1603 M CB -0.459 32.143 32.600 0.003 0.000 1.389 1603 M HN 0.052 nan 8.290 nan 0.000 0.459 1604 K N 1.483 121.912 120.400 0.048 0.000 1.967 1604 K HA -0.055 4.265 4.320 -0.000 0.000 0.212 1604 K C 1.866 178.504 176.600 0.062 0.000 1.044 1604 K CA 1.755 58.065 56.287 0.038 0.000 0.942 1604 K CB -0.186 32.307 32.500 -0.011 0.000 0.726 1604 K HN 0.425 nan 8.250 nan 0.000 0.440 1605 E N -0.380 119.858 120.200 0.064 0.000 2.478 1605 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 1605 E C 1.544 178.196 176.600 0.087 0.000 1.046 1605 E CA 0.367 56.801 56.400 0.055 0.000 0.870 1605 E CB 0.104 29.826 29.700 0.036 0.000 0.818 1605 E HN 0.288 nan 8.360 nan 0.000 0.527 1606 Y N 0.453 120.752 120.300 -0.002 0.000 2.184 1606 Y HA -0.072 4.478 4.550 -0.000 0.000 0.290 1606 Y C 1.624 177.529 175.900 0.008 0.000 1.129 1606 Y CA 1.112 59.216 58.100 0.006 0.000 1.144 1606 Y CB 0.237 38.704 38.460 0.013 0.000 0.995 1606 Y HN -0.055 nan 8.280 nan 0.000 0.513 1607 L N -0.249 121.076 121.223 0.170 0.000 2.715 1607 L HA 0.086 4.426 4.340 -0.000 0.000 0.238 1607 L C 0.633 177.528 176.870 0.042 0.000 1.212 1607 L CA 0.516 55.412 54.840 0.093 0.000 1.017 1607 L CB -0.181 41.938 42.059 0.099 0.000 1.269 1607 L HN 0.142 nan 8.230 nan 0.000 0.452 1608 T N -2.895 111.672 114.554 0.022 0.000 3.046 1608 T HA 0.087 4.437 4.350 -0.000 0.000 0.270 1608 T C 1.612 176.299 174.700 -0.021 0.000 0.920 1608 T CA -0.182 61.920 62.100 0.004 0.000 0.874 1608 T CB 0.751 69.625 68.868 0.010 0.000 1.214 1608 T HN 0.088 nan 8.240 nan 0.000 0.536 1609 K N 0.719 121.089 120.400 -0.051 0.000 2.262 1609 K HA 0.260 4.580 4.320 -0.000 0.000 0.200 1609 K C 2.042 178.580 176.600 -0.103 0.000 1.058 1609 K CA 0.378 56.613 56.287 -0.087 0.000 0.974 1609 K CB 0.092 32.510 32.500 -0.136 0.000 0.910 1609 K HN 0.038 nan 8.250 nan 0.000 0.484 1610 V N 2.860 122.698 119.914 -0.127 0.000 2.720 1610 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 1610 V C 1.687 177.750 176.094 -0.052 0.000 1.082 1610 V CA 2.557 64.796 62.300 -0.102 0.000 1.101 1610 V CB -0.269 31.503 31.823 -0.084 0.000 0.693 1610 V HN 0.386 nan 8.190 nan 0.000 0.479 1611 D N -0.717 119.661 120.400 -0.038 0.000 2.194 1611 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 1611 D C 2.028 178.314 176.300 -0.024 0.000 0.964 1611 D CA 1.354 55.342 54.000 -0.020 0.000 0.846 1611 D CB -0.229 40.565 40.800 -0.010 0.000 0.962 1611 D HN 0.456 nan 8.370 nan 0.000 0.490 1612 K N 0.166 120.546 120.400 -0.033 0.000 1.978 1612 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 1612 K C 2.330 178.913 176.600 -0.029 0.000 1.049 1612 K CA 1.539 57.808 56.287 -0.030 0.000 0.939 1612 K CB -0.424 32.054 32.500 -0.037 0.000 0.721 1612 K HN 0.213 nan 8.250 nan 0.000 0.441 1613 L N 1.295 122.495 121.223 -0.037 0.000 2.127 1613 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 1613 L C 1.964 178.820 176.870 -0.023 0.000 1.089 1613 L CA 0.995 55.816 54.840 -0.032 0.000 0.757 1613 L CB -0.617 41.418 42.059 -0.041 0.000 0.899 1613 L HN 0.234 nan 8.230 nan 0.000 0.434 1614 D N 0.479 120.865 120.400 -0.023 0.000 2.097 1614 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 1614 D C 2.306 178.600 176.300 -0.011 0.000 0.984 1614 D CA 1.556 55.547 54.000 -0.015 0.000 0.826 1614 D CB -0.042 40.751 40.800 -0.012 0.000 0.973 1614 D HN 0.297 nan 8.370 nan 0.000 0.460 1615 A N 0.766 123.579 122.820 -0.011 0.000 1.940 1615 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 1615 A C 2.451 180.030 177.584 -0.009 0.000 1.176 1615 A CA 1.754 53.785 52.037 -0.009 0.000 0.631 1615 A CB -0.534 18.461 19.000 -0.009 0.000 0.814 1615 A HN 0.132 nan 8.150 nan 0.000 0.446 1616 S N -0.762 114.931 115.700 -0.012 0.000 2.353 1616 S HA -0.208 4.262 4.470 -0.000 0.000 0.222 1616 S C 1.976 176.571 174.600 -0.009 0.000 1.035 1616 S CA 1.683 59.876 58.200 -0.011 0.000 1.025 1616 S CB -0.273 62.918 63.200 -0.014 0.000 0.902 1616 S HN 0.801 nan 8.310 nan 0.000 0.440 1617 E N 0.805 120.999 120.200 -0.009 0.000 2.208 1617 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 1617 E C 1.873 178.470 176.600 -0.005 0.000 0.988 1617 E CA 0.974 57.370 56.400 -0.007 0.000 0.828 1617 E CB -0.043 29.652 29.700 -0.007 0.000 0.763 1617 E HN 0.356 nan 8.360 nan 0.000 0.478 1618 S N 0.872 116.569 115.700 -0.005 0.000 2.348 1618 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 1618 S C 1.755 176.353 174.600 -0.004 0.000 1.033 1618 S CA 0.873 59.071 58.200 -0.004 0.000 1.010 1618 S CB -0.188 63.010 63.200 -0.004 0.000 0.891 1618 S HN 0.296 nan 8.310 nan 0.000 0.442 1619 L N 1.468 122.688 121.223 -0.005 0.000 2.083 1619 L HA -0.003 4.337 4.340 -0.000 0.000 0.209 1619 L C 2.507 179.375 176.870 -0.004 0.000 1.083 1619 L CA 1.318 56.156 54.840 -0.004 0.000 0.752 1619 L CB -1.272 40.784 42.059 -0.005 0.000 0.899 1619 L HN 0.324 nan 8.230 nan 0.000 0.433 1620 R N 0.557 121.054 120.500 -0.004 0.000 2.154 1620 R HA -0.274 4.066 4.340 -0.000 0.000 0.236 1620 R C 2.309 178.607 176.300 -0.003 0.000 1.121 1620 R CA 2.223 58.321 56.100 -0.004 0.000 0.915 1620 R CB -0.050 30.247 30.300 -0.004 0.000 0.856 1620 R HN 0.130 nan 8.270 nan 0.000 0.431 1621 K N 0.484 120.883 120.400 -0.003 0.000 2.015 1621 K HA -0.274 4.046 4.320 -0.000 0.000 0.220 1621 K C 1.921 178.520 176.600 -0.002 0.000 1.055 1621 K CA 2.301 58.587 56.287 -0.002 0.000 0.951 1621 K CB -0.495 32.004 32.500 -0.001 0.000 0.725 1621 K HN 0.356 nan 8.250 nan 0.000 0.449 1622 E N 0.728 120.927 120.200 -0.002 0.000 2.045 1622 E HA -0.373 3.977 4.350 -0.000 0.000 0.212 1622 E C 2.089 178.687 176.600 -0.002 0.000 1.039 1622 E CA 2.088 58.487 56.400 -0.002 0.000 0.860 1622 E CB -0.217 29.482 29.700 -0.002 0.000 0.776 1622 E HN 0.398 nan 8.360 nan 0.000 0.467 1623 E N 0.108 120.307 120.200 -0.002 0.000 2.068 1623 E HA -0.312 4.038 4.350 -0.000 0.000 0.207 1623 E C 2.134 178.733 176.600 -0.002 0.000 1.032 1623 E CA 2.108 58.507 56.400 -0.002 0.000 0.839 1623 E CB -0.113 29.585 29.700 -0.003 0.000 0.758 1623 E HN 0.399 nan 8.360 nan 0.000 0.457 1624 E N -0.141 120.058 120.200 -0.002 0.000 2.051 1624 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 1624 E C 2.337 178.937 176.600 -0.001 0.000 0.991 1624 E CA 1.330 57.729 56.400 -0.002 0.000 0.799 1624 E CB -0.072 29.627 29.700 -0.001 0.000 0.748 1624 E HN 0.377 nan 8.360 nan 0.000 0.449 1625 Q N 0.571 120.371 119.800 -0.001 0.000 1.935 1625 Q HA -0.245 4.095 4.340 -0.000 0.000 0.212 1625 Q C 2.372 178.371 176.000 -0.001 0.000 1.008 1625 Q CA 1.659 57.461 55.803 -0.001 0.000 0.868 1625 Q CB -0.474 28.264 28.738 -0.001 0.000 0.946 1625 Q HN 0.260 nan 8.270 nan 0.000 0.418 1626 A N 0.826 123.645 122.820 -0.001 0.000 1.940 1626 A HA -0.298 4.021 4.320 -0.000 0.000 0.221 1626 A C 2.285 179.868 177.584 -0.001 0.000 1.190 1626 A CA 2.422 54.458 52.037 -0.001 0.000 0.647 1626 A CB -1.364 17.635 19.000 -0.001 0.000 0.821 1626 A HN 0.497 nan 8.150 nan 0.000 0.457 1627 T N -0.763 113.791 114.554 -0.001 0.000 2.545 1627 T HA -0.183 4.167 4.350 -0.000 0.000 0.261 1627 T C 1.795 176.494 174.700 -0.001 0.000 1.097 1627 T CA 1.438 63.537 62.100 -0.001 0.000 1.189 1627 T CB -0.398 68.469 68.868 -0.001 0.000 0.863 1627 T HN 0.683 nan 8.240 nan 0.000 0.405 1628 E N 0.602 120.801 120.200 -0.001 0.000 2.333 1628 E HA -0.115 4.235 4.350 -0.000 0.000 0.200 1628 E C 0.193 176.792 176.600 -0.001 0.000 1.010 1628 E CA 0.898 57.297 56.400 -0.001 0.000 0.841 1628 E CB 0.072 29.771 29.700 -0.001 0.000 0.757 1628 E HN 0.393 nan 8.360 nan 0.000 0.508 1629 T N -0.040 114.514 114.554 -0.001 0.000 3.448 1629 T HA 0.168 4.518 4.350 -0.000 0.000 0.271 1629 T C -0.385 174.315 174.700 -0.001 0.000 1.002 1629 T CA -0.356 61.744 62.100 -0.000 0.000 0.995 1629 T CB 0.707 69.575 68.868 -0.000 0.000 1.153 1629 T HN 0.102 nan 8.240 nan 0.000 0.510 1630 Q N 0.000 119.800 119.800 -0.001 0.000 2.315 1630 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1630 Q CA 0.000 55.803 55.803 -0.001 0.000 1.022 1630 Q CB 0.000 28.738 28.738 -0.001 0.000 1.108 1630 Q HN 0.000 nan 8.270 nan 0.000 0.481