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 3f66_1_B DATA FIRST_RESID 1062 DATA SEQUENCE LVQAVQHVVI GPSSLIVHFN EVIGRGHFGC VYHGTLLXXX XKKIHCAVKS DATA SEQUENCE LNXXXXXXEV SQFLTEGIIM KDFSHPNVLS LLGICLRXXX SPLVVLPYMK DATA SEQUENCE HGDLRNFIRN ETHNPTVKDL IGFGLQVAKG MKYLASKKFV HRDLAARNCM DATA SEQUENCE LDEKFTVKVA DFGLARDMYD KEYYSXXXXX XAKLPVKWMA LESLQTQKFT DATA SEQUENCE TKSDVWSFGV LLWELMTRGA PPYPDVNTFD ITVYLLQGRR LLQPEYCPDP DATA SEQUENCE LYEVMLKCWH PKAEMRPSFS ELVSRISAIF STFIGEHY 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 1062 L HA 0.000 nan 4.340 nan 0.000 0.249 1062 L C 0.000 176.871 176.870 0.002 0.000 1.165 1062 L CA 0.000 54.843 54.840 0.004 0.000 0.813 1062 L CB 0.000 42.061 42.059 0.004 0.000 0.961 1063 V N -1.066 118.850 119.914 0.004 0.000 2.332 1063 V HA -0.286 3.810 4.120 -0.039 0.000 0.248 1063 V C 2.026 178.125 176.094 0.008 0.000 1.055 1063 V CA 2.194 64.496 62.300 0.003 0.000 1.038 1063 V CB -1.187 30.639 31.823 0.005 0.000 0.651 1063 V HN 0.575 nan 8.190 nan 0.000 0.450 1064 Q N 1.413 121.222 119.800 0.015 0.000 2.084 1064 Q HA -0.081 4.236 4.340 -0.039 0.000 0.202 1064 Q C 2.486 178.514 176.000 0.047 0.000 0.978 1064 Q CA 1.873 57.692 55.803 0.027 0.000 0.844 1064 Q CB -0.543 28.209 28.738 0.023 0.000 0.898 1064 Q HN 0.725 nan 8.270 nan 0.000 0.426 1065 A N 0.928 123.771 122.820 0.038 0.000 1.897 1065 A HA -0.069 4.227 4.320 -0.039 0.000 0.215 1065 A C 2.276 179.879 177.584 0.031 0.000 1.181 1065 A CA 1.096 53.168 52.037 0.059 0.000 0.620 1065 A CB -0.415 18.605 19.000 0.032 0.000 0.821 1065 A HN 0.206 nan 8.150 nan 0.000 0.443 1066 V N 0.023 119.914 119.914 -0.039 0.000 3.380 1066 V HA -0.148 3.949 4.120 -0.039 0.000 0.268 1066 V C 2.369 178.369 176.094 -0.157 0.000 1.168 1066 V CA 1.638 63.857 62.300 -0.136 0.000 1.156 1066 V CB -0.719 31.046 31.823 -0.097 0.000 0.785 1066 V HN 0.549 nan 8.190 nan 0.000 0.487 1067 Q N 1.240 121.018 119.800 -0.038 0.000 2.124 1067 Q HA -0.207 4.110 4.340 -0.039 0.000 0.202 1067 Q C 2.203 178.195 176.000 -0.013 0.000 0.977 1067 Q CA 1.984 57.782 55.803 -0.007 0.000 0.850 1067 Q CB -0.429 28.333 28.738 0.040 0.000 0.901 1067 Q HN 0.927 nan 8.270 nan 0.000 0.429 1068 H N -1.887 117.169 119.070 -0.022 0.000 2.556 1068 H HA 0.086 4.618 4.556 -0.040 0.000 0.268 1068 H C 1.078 176.386 175.328 -0.033 0.000 0.996 1068 H CA 1.058 57.092 56.048 -0.023 0.000 1.157 1068 H CB 0.142 29.893 29.762 -0.019 0.000 1.355 1068 H HN 0.163 nan 8.280 nan 0.000 0.597 1069 V N 0.557 120.173 119.914 -0.498 0.000 3.307 1069 V HA 0.052 4.149 4.120 -0.039 0.000 0.253 1069 V C 1.263 177.249 176.094 -0.180 0.000 1.149 1069 V CA 0.003 62.087 62.300 -0.359 0.000 1.112 1069 V CB 0.358 31.924 31.823 -0.429 0.000 0.777 1069 V HN 0.053 nan 8.190 nan 0.000 0.464 1070 V N 2.216 122.051 119.914 -0.132 0.000 2.555 1070 V HA 0.229 4.326 4.120 -0.039 0.000 0.286 1070 V C -0.074 175.996 176.094 -0.040 0.000 1.044 1070 V CA 0.205 62.466 62.300 -0.065 0.000 1.026 1070 V CB 1.237 33.035 31.823 -0.042 0.000 0.981 1070 V HN 0.273 nan 8.190 nan 0.000 0.480 1071 I N 4.125 124.680 120.570 -0.025 0.000 2.355 1071 I HA 0.379 4.526 4.170 -0.039 0.000 0.288 1071 I C 1.093 177.205 176.117 -0.008 0.000 0.999 1071 I CA -0.376 60.914 61.300 -0.017 0.000 1.163 1071 I CB 1.419 39.408 38.000 -0.019 0.000 1.316 1071 I HN 0.732 nan 8.210 nan 0.000 0.454 1072 G N 7.140 115.936 108.800 -0.007 0.000 2.178 1072 G HA2 0.035 3.971 3.960 -0.039 0.000 0.244 1072 G HA3 0.035 3.971 3.960 -0.039 0.000 0.244 1072 G C -1.785 173.112 174.900 -0.005 0.000 1.213 1072 G CA -0.637 44.460 45.100 -0.005 0.000 0.912 1072 G HN 0.453 nan 8.290 nan 0.000 0.474 1073 P HA -0.213 nan 4.420 nan 0.000 0.216 1073 P C 2.269 179.565 177.300 -0.006 0.000 1.150 1073 P CA 1.941 65.040 63.100 -0.003 0.000 0.843 1073 P CB 0.116 31.816 31.700 -0.000 0.000 0.787 1074 S N -1.564 114.133 115.700 -0.005 0.000 2.400 1074 S HA -0.124 4.322 4.470 -0.039 0.000 0.232 1074 S C 1.779 176.374 174.600 -0.008 0.000 1.025 1074 S CA 1.614 59.811 58.200 -0.005 0.000 0.993 1074 S CB -1.427 61.771 63.200 -0.003 0.000 0.808 1074 S HN 0.055 nan 8.310 nan 0.000 0.478 1075 S N 1.001 116.696 115.700 -0.009 0.000 2.631 1075 S HA 0.436 4.883 4.470 -0.039 0.000 0.217 1075 S C -0.217 174.371 174.600 -0.019 0.000 0.958 1075 S CA -0.325 57.869 58.200 -0.010 0.000 0.920 1075 S CB -0.254 62.941 63.200 -0.008 0.000 0.776 1075 S HN 0.502 nan 8.310 nan 0.000 0.517 1076 L N 1.307 122.513 121.223 -0.028 0.000 2.438 1076 L HA 0.610 4.927 4.340 -0.039 0.000 0.270 1076 L C -1.738 175.082 176.870 -0.083 0.000 0.972 1076 L CA -0.623 54.185 54.840 -0.053 0.000 0.831 1076 L CB 1.349 43.378 42.059 -0.050 0.000 1.273 1076 L HN -0.068 nan 8.230 nan 0.000 0.405 1077 I N 5.633 126.120 120.570 -0.138 0.000 2.362 1077 I HA 0.486 4.633 4.170 -0.039 0.000 0.289 1077 I C -0.468 175.354 176.117 -0.492 0.000 0.994 1077 I CA -0.518 60.635 61.300 -0.244 0.000 1.158 1077 I CB 1.846 39.718 38.000 -0.214 0.000 1.315 1077 I HN 0.228 nan 8.210 nan 0.000 0.451 1078 V N 5.471 125.079 119.914 -0.511 0.000 2.407 1078 V HA 0.263 4.359 4.120 -0.039 0.000 0.278 1078 V C -0.007 175.571 176.094 -0.859 0.000 1.037 1078 V CA -0.729 61.103 62.300 -0.780 0.000 0.900 1078 V CB 0.841 32.034 31.823 -1.050 0.000 0.983 1078 V HN 0.573 nan 8.190 nan 0.000 0.459 1079 H N 5.662 124.522 119.070 -0.350 0.000 2.788 1079 H HA 0.243 4.775 4.556 -0.040 0.000 0.254 1079 H C 0.521 175.718 175.328 -0.219 0.000 1.541 1079 H CA -0.392 55.552 56.048 -0.174 0.000 1.295 1079 H CB 0.062 29.811 29.762 -0.022 0.000 1.592 1079 H HN 0.627 nan 8.280 nan 0.000 0.545 1080 F N 1.586 121.435 119.950 -0.170 0.000 2.269 1080 F HA -0.215 4.289 4.527 -0.038 0.000 0.301 1080 F C 2.314 178.102 175.800 -0.021 0.000 1.082 1080 F CA 0.722 58.468 58.000 -0.424 0.000 1.360 1080 F CB 0.014 38.738 39.000 -0.459 0.000 1.041 1080 F HN 0.470 nan 8.300 nan 0.000 0.512 1081 N N 1.415 120.240 118.700 0.209 0.000 2.520 1081 N HA -0.166 4.551 4.740 -0.039 0.000 0.185 1081 N C -0.298 175.327 175.510 0.191 0.000 1.068 1081 N CA 0.767 53.925 53.050 0.179 0.000 0.911 1081 N CB -0.680 37.879 38.487 0.121 0.000 0.961 1081 N HN 0.476 nan 8.380 nan 0.000 0.446 1082 E N 1.154 121.500 120.200 0.244 0.000 2.256 1082 E HA 0.375 4.701 4.350 -0.039 0.000 0.243 1082 E C -0.916 175.928 176.600 0.407 0.000 0.925 1082 E CA -0.718 55.838 56.400 0.259 0.000 0.748 1082 E CB 1.473 31.253 29.700 0.134 0.000 1.206 1082 E HN -0.154 nan 8.360 nan 0.000 0.428 1083 V N 4.321 124.428 119.914 0.321 0.000 2.530 1083 V HA 0.081 4.177 4.120 -0.039 0.000 0.282 1083 V C 1.203 177.400 176.094 0.171 0.000 1.048 1083 V CA 0.062 62.501 62.300 0.232 0.000 0.997 1083 V CB 0.813 32.732 31.823 0.159 0.000 0.987 1083 V HN 0.743 nan 8.190 nan 0.000 0.477 1084 I N 2.798 123.405 120.570 0.062 0.000 2.556 1084 I HA 0.378 4.525 4.170 -0.039 0.000 0.251 1084 I C 1.175 177.288 176.117 -0.007 0.000 1.105 1084 I CA 1.079 62.394 61.300 0.024 0.000 1.436 1084 I CB 0.217 38.162 38.000 -0.091 0.000 1.139 1084 I HN 0.785 nan 8.210 nan 0.000 0.438 1085 G N 0.251 109.018 108.800 -0.055 0.000 2.342 1085 G HA2 0.482 4.419 3.960 -0.039 0.000 0.297 1085 G HA3 0.482 4.419 3.960 -0.039 0.000 0.297 1085 G C -1.647 173.232 174.900 -0.035 0.000 1.313 1085 G CA -0.705 44.379 45.100 -0.027 0.000 0.830 1085 G HN -0.038 nan 8.290 nan 0.000 0.506 1086 R N -0.692 119.833 120.500 0.042 0.000 2.621 1086 R HA 0.661 4.977 4.340 -0.039 0.000 0.284 1086 R C -0.122 176.239 176.300 0.101 0.000 0.998 1086 R CA -0.176 55.941 56.100 0.028 0.000 0.895 1086 R CB 1.994 32.285 30.300 -0.014 0.000 1.195 1086 R HN 1.054 nan 8.270 nan 0.000 0.450 1087 G N 0.215 109.010 108.800 -0.008 0.000 2.816 1087 G HA2 0.187 4.123 3.960 -0.039 0.000 0.288 1087 G HA3 0.187 4.123 3.960 -0.039 0.000 0.288 1087 G C -0.328 174.431 174.900 -0.236 0.000 1.334 1087 G CA -0.403 44.549 45.100 -0.248 0.000 0.978 1087 G HN 0.731 nan 8.290 nan 0.000 0.493 1088 H N -0.733 118.089 119.070 -0.413 0.000 2.462 1088 H HA 0.093 4.625 4.556 -0.041 0.000 0.292 1088 H C 1.893 177.032 175.328 -0.315 0.000 1.049 1088 H CA 1.540 57.355 56.048 -0.388 0.000 1.334 1088 H CB -0.003 29.436 29.762 -0.539 0.000 1.404 1088 H HN 0.425 nan 8.280 nan 0.000 0.544 1089 F N -0.683 119.236 119.950 -0.051 0.000 2.558 1089 F HA 0.183 4.682 4.527 -0.046 0.000 0.298 1089 F C 1.398 177.173 175.800 -0.041 0.000 1.119 1089 F CA 0.304 58.276 58.000 -0.046 0.000 1.451 1089 F CB 0.585 39.554 39.000 -0.051 0.000 1.091 1089 F HN 0.216 nan 8.300 nan 0.000 0.563 1090 G N -1.270 107.584 108.800 0.090 0.000 2.321 1090 G HA2 0.219 4.155 3.960 -0.039 0.000 0.298 1090 G HA3 0.219 4.155 3.960 -0.039 0.000 0.298 1090 G C -1.904 172.999 174.900 0.006 0.000 1.385 1090 G CA -1.216 43.921 45.100 0.062 0.000 0.856 1090 G HN -0.089 nan 8.290 nan 0.000 0.584 1091 C N -0.593 118.687 119.300 -0.033 0.000 2.443 1091 C HA 0.755 5.191 4.460 -0.039 0.000 0.369 1091 C C 0.646 175.401 174.990 -0.391 0.000 1.241 1091 C CA -0.346 58.527 59.018 -0.242 0.000 2.413 1091 C CB 0.867 28.383 27.740 -0.373 0.000 2.451 1091 C HN 0.606 nan 8.230 nan 0.000 0.595 1092 V N 2.365 121.996 119.914 -0.471 0.000 2.448 1092 V HA 0.471 4.568 4.120 -0.039 0.000 0.295 1092 V C -1.021 174.802 176.094 -0.452 0.000 1.025 1092 V CA -0.447 61.651 62.300 -0.335 0.000 0.859 1092 V CB 0.789 32.531 31.823 -0.135 0.000 0.988 1092 V HN 0.820 nan 8.190 nan 0.000 0.431 1093 Y N 1.737 122.024 120.300 -0.022 0.000 2.570 1093 Y HA 0.534 5.063 4.550 -0.035 0.000 0.345 1093 Y C 0.660 176.538 175.900 -0.036 0.000 1.014 1093 Y CA -1.083 57.008 58.100 -0.015 0.000 1.063 1093 Y CB 1.232 39.629 38.460 -0.105 0.000 1.272 1093 Y HN 0.532 nan 8.280 nan 0.000 0.477 1094 H N 0.656 119.857 119.070 0.219 0.000 2.897 1094 H HA 0.349 4.884 4.556 -0.035 0.000 0.347 1094 H C 0.085 175.529 175.328 0.193 0.000 1.068 1094 H CA 0.697 56.864 56.048 0.199 0.000 1.426 1094 H CB 0.928 30.840 29.762 0.250 0.000 1.410 1094 H HN 0.907 nan 8.280 nan 0.000 0.597 1095 G N 1.002 109.943 108.800 0.235 0.000 2.672 1095 G HA2 0.406 4.343 3.960 -0.039 0.000 0.292 1095 G HA3 0.406 4.343 3.960 -0.039 0.000 0.292 1095 G C -1.103 173.884 174.900 0.146 0.000 1.375 1095 G CA -0.548 44.563 45.100 0.019 0.000 0.890 1095 G HN 0.483 nan 8.290 nan 0.000 0.476 1096 T N 0.675 115.241 114.554 0.019 0.000 2.841 1096 T HA 0.495 4.822 4.350 -0.039 0.000 0.285 1096 T C -1.062 173.640 174.700 0.003 0.000 0.991 1096 T CA -0.330 61.832 62.100 0.103 0.000 0.966 1096 T CB 1.611 70.600 68.868 0.202 0.000 0.962 1096 T HN 0.427 nan 8.240 nan 0.000 0.438 1097 L N 4.732 125.965 121.223 0.015 0.000 2.307 1097 L HA 0.656 4.972 4.340 -0.039 0.000 0.284 1097 L C -0.844 176.031 176.870 0.007 0.000 1.023 1097 L CA -0.548 54.289 54.840 -0.004 0.000 0.810 1097 L CB 0.637 42.690 42.059 -0.010 0.000 1.231 1097 L HN 0.600 nan 8.230 nan 0.000 0.423 1104 K N 2.483 122.892 120.400 0.014 0.000 2.298 1104 K HA 0.458 4.755 4.320 -0.039 0.000 0.280 1104 K C -0.312 176.308 176.600 0.033 0.000 1.032 1104 K CA -0.411 55.892 56.287 0.026 0.000 0.958 1104 K CB 0.822 33.339 32.500 0.029 0.000 0.978 1104 K HN 0.571 nan 8.250 nan 0.000 0.472 1105 I N 2.126 122.724 120.570 0.046 0.000 2.499 1105 I HA 0.173 4.319 4.170 -0.039 0.000 0.288 1105 I C -0.474 175.703 176.117 0.100 0.000 1.048 1105 I CA -0.745 60.591 61.300 0.059 0.000 1.062 1105 I CB 1.386 39.406 38.000 0.033 0.000 1.238 1105 I HN 0.713 nan 8.210 nan 0.000 0.426 1106 H N 6.613 125.682 119.070 -0.002 0.000 2.790 1106 H HA 0.313 4.847 4.556 -0.037 0.000 0.358 1106 H C -1.178 174.161 175.328 0.019 0.000 1.103 1106 H CA 0.204 56.249 56.048 -0.005 0.000 1.426 1106 H CB 1.178 30.899 29.762 -0.067 0.000 1.424 1106 H HN 0.742 nan 8.280 nan 0.000 0.599 1107 C N 2.299 121.351 119.300 -0.412 0.000 3.236 1107 C HA 0.670 5.107 4.460 -0.039 0.000 0.312 1107 C C -0.663 174.149 174.990 -0.297 0.000 1.374 1107 C CA -0.312 58.551 59.018 -0.258 0.000 1.455 1107 C CB 1.537 29.214 27.740 -0.106 0.000 1.834 1107 C HN 0.931 nan 8.230 nan 0.000 0.460 1108 A N 1.149 123.883 122.820 -0.142 0.000 2.331 1108 A HA 0.829 5.126 4.320 -0.039 0.000 0.320 1108 A C -1.307 176.238 177.584 -0.065 0.000 1.138 1108 A CA -0.268 51.709 52.037 -0.100 0.000 0.790 1108 A CB 0.939 19.876 19.000 -0.104 0.000 1.206 1108 A HN 0.752 nan 8.150 nan 0.000 0.470 1109 V N 2.391 122.289 119.914 -0.026 0.000 2.487 1109 V HA 0.463 4.560 4.120 -0.039 0.000 0.298 1109 V C -0.071 176.061 176.094 0.064 0.000 1.028 1109 V CA -0.646 61.660 62.300 0.009 0.000 0.860 1109 V CB 1.655 33.469 31.823 -0.016 0.000 0.991 1109 V HN 0.924 nan 8.190 nan 0.000 0.427 1110 K N 2.555 122.990 120.400 0.058 0.000 2.274 1110 K HA 0.572 4.869 4.320 -0.039 0.000 0.262 1110 K C -0.279 176.397 176.600 0.126 0.000 0.961 1110 K CA -0.194 56.141 56.287 0.080 0.000 0.833 1110 K CB 1.566 34.109 32.500 0.071 0.000 1.102 1110 K HN 0.696 nan 8.250 nan 0.000 0.436 1111 S N 4.682 120.486 115.700 0.174 0.000 2.475 1111 S HA 0.273 4.719 4.470 -0.039 0.000 0.281 1111 S C 0.881 175.548 174.600 0.112 0.000 1.198 1111 S CA -0.706 57.599 58.200 0.175 0.000 1.063 1111 S CB 0.470 63.844 63.200 0.290 0.000 0.972 1111 S HN 0.722 nan 8.310 nan 0.000 0.486 1112 L N 3.805 125.057 121.223 0.048 0.000 2.200 1112 L HA 0.133 4.449 4.340 -0.039 0.000 0.200 1112 L C 0.945 177.811 176.870 -0.008 0.000 1.072 1112 L CA 0.423 55.267 54.840 0.008 0.000 0.787 1112 L CB -0.894 41.114 42.059 -0.085 0.000 0.957 1112 L HN 0.942 nan 8.230 nan 0.000 0.459 1121 V N 1.368 121.280 119.914 -0.003 0.000 2.317 1121 V HA -0.283 3.814 4.120 -0.039 0.000 0.251 1121 V C 2.089 178.229 176.094 0.078 0.000 1.065 1121 V CA 2.573 64.892 62.300 0.032 0.000 1.049 1121 V CB -0.456 31.371 31.823 0.006 0.000 0.651 1121 V HN 0.583 nan 8.190 nan 0.000 0.450 1122 S N -1.191 114.532 115.700 0.038 0.000 2.383 1122 S HA -0.306 4.141 4.470 -0.039 0.000 0.229 1122 S C 1.973 176.588 174.600 0.025 0.000 1.030 1122 S CA 1.902 60.118 58.200 0.028 0.000 1.002 1122 S CB -0.304 62.904 63.200 0.014 0.000 0.829 1122 S HN 0.710 nan 8.310 nan 0.000 0.467 1123 Q N -0.253 119.563 119.800 0.028 0.000 2.020 1123 Q HA -0.147 4.169 4.340 -0.039 0.000 0.202 1123 Q C 1.969 177.979 176.000 0.017 0.000 0.982 1123 Q CA 1.543 57.354 55.803 0.013 0.000 0.838 1123 Q CB -0.238 28.499 28.738 -0.001 0.000 0.899 1123 Q HN 0.573 nan 8.270 nan 0.000 0.423 1124 F N 0.654 120.545 119.950 -0.099 0.000 2.134 1124 F HA -0.173 4.330 4.527 -0.040 0.000 0.299 1124 F C 1.682 177.422 175.800 -0.100 0.000 1.097 1124 F CA 1.313 59.246 58.000 -0.113 0.000 1.264 1124 F CB -0.090 38.842 39.000 -0.113 0.000 1.001 1124 F HN 0.056 nan 8.300 nan 0.000 0.479 1125 L N -0.706 120.505 121.223 -0.019 0.000 2.109 1125 L HA -0.168 4.149 4.340 -0.039 0.000 0.207 1125 L C 2.331 179.103 176.870 -0.164 0.000 1.086 1125 L CA 1.495 56.262 54.840 -0.121 0.000 0.760 1125 L CB -1.044 41.026 42.059 0.019 0.000 0.910 1125 L HN 0.127 nan 8.230 nan 0.000 0.437 1126 T N -0.609 113.881 114.554 -0.106 0.000 2.708 1126 T HA -0.185 4.141 4.350 -0.039 0.000 0.266 1126 T C 1.744 176.351 174.700 -0.154 0.000 1.037 1126 T CA 1.378 63.421 62.100 -0.094 0.000 1.146 1126 T CB -0.111 68.728 68.868 -0.048 0.000 0.865 1126 T HN 0.380 nan 8.240 nan 0.000 0.435 1127 E N 0.376 120.457 120.200 -0.199 0.000 2.106 1127 E HA -0.036 4.291 4.350 -0.039 0.000 0.192 1127 E C 2.586 178.976 176.600 -0.350 0.000 0.984 1127 E CA 0.780 57.029 56.400 -0.251 0.000 0.806 1127 E CB -0.373 29.193 29.700 -0.224 0.000 0.750 1127 E HN 0.526 nan 8.360 nan 0.000 0.458 1128 G N 1.766 110.292 108.800 -0.456 0.000 2.476 1128 G HA2 -0.271 3.666 3.960 -0.039 0.000 0.218 1128 G HA3 -0.271 3.666 3.960 -0.039 0.000 0.218 1128 G C 1.624 176.328 174.900 -0.327 0.000 1.164 1128 G CA 0.770 45.596 45.100 -0.457 0.000 0.768 1128 G HN 0.119 nan 8.290 nan 0.000 0.560 1129 I N 0.419 120.832 120.570 -0.261 0.000 2.179 1129 I HA -0.140 4.007 4.170 -0.039 0.000 0.242 1129 I C 2.694 178.730 176.117 -0.136 0.000 1.088 1129 I CA 0.842 62.042 61.300 -0.167 0.000 1.357 1129 I CB -0.182 37.759 38.000 -0.097 0.000 1.051 1129 I HN 0.171 nan 8.210 nan 0.000 0.409 1130 I N -0.115 120.339 120.570 -0.193 0.000 2.133 1130 I HA -0.337 3.810 4.170 -0.039 0.000 0.238 1130 I C 2.635 178.461 176.117 -0.485 0.000 1.074 1130 I CA 1.585 62.729 61.300 -0.260 0.000 1.342 1130 I CB -0.297 37.548 38.000 -0.258 0.000 1.053 1130 I HN 0.240 nan 8.210 nan 0.000 0.404 1131 M N 0.617 119.899 119.600 -0.530 0.000 2.213 1131 M HA -0.247 4.210 4.480 -0.039 0.000 0.263 1131 M C 2.200 178.315 176.300 -0.308 0.000 1.062 1131 M CA 1.701 56.643 55.300 -0.598 0.000 1.105 1131 M CB -0.022 32.294 32.600 -0.473 0.000 1.385 1131 M HN -0.027 nan 8.290 nan 0.000 0.417 1132 K N 0.701 120.980 120.400 -0.201 0.000 2.097 1132 K HA -0.145 4.152 4.320 -0.039 0.000 0.206 1132 K C 1.068 177.708 176.600 0.066 0.000 1.049 1132 K CA 1.748 57.997 56.287 -0.064 0.000 0.933 1132 K CB -0.228 32.224 32.500 -0.079 0.000 0.717 1132 K HN 0.385 nan 8.250 nan 0.000 0.442 1133 D N -0.610 119.845 120.400 0.092 0.000 2.348 1133 D HA -0.027 4.590 4.640 -0.039 0.000 0.211 1133 D C -0.177 176.327 176.300 0.339 0.000 0.998 1133 D CA 0.183 54.294 54.000 0.186 0.000 0.873 1133 D CB 0.001 40.900 40.800 0.164 0.000 0.925 1133 D HN 0.027 nan 8.370 nan 0.000 0.524 1134 F N 1.202 121.224 119.950 0.120 0.000 2.518 1134 F HA 0.226 4.723 4.527 -0.051 0.000 0.359 1134 F C 1.033 176.924 175.800 0.152 0.000 1.118 1134 F CA -0.726 57.413 58.000 0.230 0.000 1.287 1134 F CB 0.690 39.841 39.000 0.251 0.000 1.132 1134 F HN -0.368 nan 8.300 nan 0.000 0.587 1135 S N 3.135 118.974 115.700 0.231 0.000 2.652 1135 S HA 0.372 4.819 4.470 -0.039 0.000 0.273 1135 S C -1.651 172.715 174.600 -0.389 0.000 1.172 1135 S CA -0.441 57.739 58.200 -0.034 0.000 1.009 1135 S CB 0.300 63.508 63.200 0.013 0.000 1.094 1135 S HN 0.828 nan 8.310 nan 0.000 0.471 1136 H N 4.919 123.689 119.070 -0.500 0.000 3.085 1136 H HA 0.352 4.885 4.556 -0.038 0.000 0.356 1136 H C -2.615 172.545 175.328 -0.280 0.000 1.178 1136 H CA -1.229 54.472 56.048 -0.577 0.000 1.214 1136 H CB 2.360 31.473 29.762 -1.082 0.000 1.881 1136 H HN 0.389 nan 8.280 nan 0.000 0.538 1137 P HA -0.041 nan 4.420 nan 0.000 0.222 1137 P C -0.033 177.234 177.300 -0.056 0.000 1.147 1137 P CA 1.069 64.015 63.100 -0.256 0.000 0.790 1137 P CB 0.301 31.814 31.700 -0.312 0.000 0.780 1138 N N -0.918 117.894 118.700 0.187 0.000 2.321 1138 N HA 0.188 4.904 4.740 -0.039 0.000 0.242 1138 N C -0.908 174.671 175.510 0.114 0.000 1.141 1138 N CA -0.150 52.997 53.050 0.162 0.000 0.864 1138 N CB 0.689 39.273 38.487 0.160 0.000 1.100 1138 N HN -0.095 nan 8.380 nan 0.000 0.510 1139 V N 1.354 121.340 119.914 0.120 0.000 2.577 1139 V HA 0.243 4.340 4.120 -0.039 0.000 0.303 1139 V C -0.289 175.913 176.094 0.181 0.000 1.042 1139 V CA -1.045 61.346 62.300 0.150 0.000 0.872 1139 V CB 2.110 34.011 31.823 0.130 0.000 0.998 1139 V HN 0.106 nan 8.190 nan 0.000 0.423 1140 L N 4.408 125.771 121.223 0.234 0.000 2.601 1140 L HA 0.117 4.433 4.340 -0.039 0.000 0.277 1140 L C 0.749 177.672 176.870 0.088 0.000 1.219 1140 L CA 1.261 56.170 54.840 0.115 0.000 0.915 1140 L CB 0.659 42.752 42.059 0.058 0.000 1.160 1140 L HN 0.790 nan 8.230 nan 0.000 0.494 1141 S N 4.570 120.279 115.700 0.016 0.000 2.601 1141 S HA 0.412 4.859 4.470 -0.039 0.000 0.271 1141 S C -0.485 174.074 174.600 -0.068 0.000 1.305 1141 S CA -0.565 57.635 58.200 -0.001 0.000 1.022 1141 S CB 1.096 64.289 63.200 -0.011 0.000 0.940 1141 S HN 0.550 nan 8.310 nan 0.000 0.525 1142 L N 4.270 125.443 121.223 -0.083 0.000 2.255 1142 L HA 0.379 4.696 4.340 -0.039 0.000 0.289 1142 L C 0.470 177.290 176.870 -0.085 0.000 1.046 1142 L CA 0.202 54.967 54.840 -0.125 0.000 0.816 1142 L CB -0.006 41.945 42.059 -0.180 0.000 1.197 1142 L HN 0.740 nan 8.230 nan 0.000 0.427 1143 L N 4.588 125.765 121.223 -0.076 0.000 2.072 1143 L HA 0.317 4.634 4.340 -0.039 0.000 0.205 1143 L C 1.203 178.036 176.870 -0.061 0.000 1.079 1143 L CA 0.874 55.681 54.840 -0.055 0.000 0.752 1143 L CB -0.628 41.402 42.059 -0.048 0.000 0.906 1143 L HN 0.839 nan 8.230 nan 0.000 0.436 1144 G N -0.479 108.274 108.800 -0.078 0.000 2.341 1144 G HA2 0.426 4.363 3.960 -0.039 0.000 0.299 1144 G HA3 0.426 4.363 3.960 -0.039 0.000 0.299 1144 G C -1.882 172.969 174.900 -0.082 0.000 1.274 1144 G CA -0.408 44.637 45.100 -0.091 0.000 0.853 1144 G HN 0.068 nan 8.290 nan 0.000 0.493 1145 I N -2.701 117.828 120.570 -0.068 0.000 2.647 1145 I HA 0.782 4.929 4.170 -0.039 0.000 0.295 1145 I C -0.913 175.228 176.117 0.040 0.000 1.078 1145 I CA -1.093 60.211 61.300 0.007 0.000 1.048 1145 I CB 2.157 40.154 38.000 -0.006 0.000 1.239 1145 I HN 0.677 nan 8.210 nan 0.000 0.421 1146 C N 7.030 126.375 119.300 0.075 0.000 2.322 1146 C HA 0.699 5.136 4.460 -0.039 0.000 0.324 1146 C C -0.503 174.520 174.990 0.056 0.000 1.249 1146 C CA -0.384 58.661 59.018 0.045 0.000 1.453 1146 C CB 0.289 28.043 27.740 0.022 0.000 2.145 1146 C HN 0.720 nan 8.230 nan 0.000 0.466 1147 L N 7.564 128.813 121.223 0.042 0.000 2.297 1147 L HA 0.502 4.819 4.340 -0.039 0.000 0.277 1147 L C 0.817 177.688 176.870 0.002 0.000 1.040 1147 L CA 0.320 55.173 54.840 0.021 0.000 0.867 1147 L CB 0.157 42.237 42.059 0.034 0.000 1.244 1147 L HN 0.656 nan 8.230 nan 0.000 0.433 1153 P HA 0.459 nan 4.420 nan 0.000 0.271 1153 P C -1.001 176.264 177.300 -0.059 0.000 1.216 1153 P CA -0.378 62.571 63.100 -0.252 0.000 0.776 1153 P CB 0.405 31.603 31.700 -0.836 0.000 0.881 1154 L N 2.280 123.532 121.223 0.049 0.000 2.329 1154 L HA 0.501 4.817 4.340 -0.039 0.000 0.279 1154 L C -0.428 176.521 176.870 0.132 0.000 1.014 1154 L CA -1.110 53.786 54.840 0.093 0.000 0.814 1154 L CB 1.919 44.020 42.059 0.071 0.000 1.257 1154 L HN 0.047 nan 8.230 nan 0.000 0.424 1155 V N 3.756 123.733 119.914 0.105 0.000 2.370 1155 V HA 0.337 4.433 4.120 -0.039 0.000 0.283 1155 V C 0.010 176.107 176.094 0.006 0.000 1.023 1155 V CA -0.657 61.677 62.300 0.058 0.000 0.857 1155 V CB 1.837 33.689 31.823 0.049 0.000 0.985 1155 V HN 0.421 nan 8.190 nan 0.000 0.443 1156 V N 7.254 127.154 119.914 -0.024 0.000 2.370 1156 V HA 0.542 4.639 4.120 -0.039 0.000 0.279 1156 V C -0.116 175.939 176.094 -0.065 0.000 1.029 1156 V CA -0.254 62.021 62.300 -0.042 0.000 0.870 1156 V CB 1.166 32.965 31.823 -0.040 0.000 0.984 1156 V HN 0.653 nan 8.190 nan 0.000 0.451 1157 L N 6.253 127.433 121.223 -0.071 0.000 2.350 1157 L HA 0.619 4.936 4.340 -0.039 0.000 0.260 1157 L C -2.683 174.136 176.870 -0.084 0.000 1.015 1157 L CA -2.209 52.580 54.840 -0.086 0.000 0.821 1157 L CB 2.929 44.929 42.059 -0.099 0.000 1.370 1157 L HN 0.362 nan 8.230 nan 0.000 0.416 1158 P HA 0.036 nan 4.420 nan 0.000 0.271 1158 P C -1.338 175.912 177.300 -0.083 0.000 1.216 1158 P CA -0.063 62.996 63.100 -0.068 0.000 0.776 1158 P CB 0.251 31.912 31.700 -0.064 0.000 0.881 1159 Y N 3.480 123.659 120.300 -0.201 0.000 2.377 1159 Y HA 0.239 4.772 4.550 -0.028 0.000 0.330 1159 Y C 0.090 175.899 175.900 -0.153 0.000 1.108 1159 Y CA 0.172 58.135 58.100 -0.228 0.000 1.308 1159 Y CB 0.476 38.739 38.460 -0.328 0.000 1.216 1159 Y HN 0.220 nan 8.280 nan 0.000 0.518 1160 M N 7.665 126.834 119.600 -0.718 0.000 2.055 1160 M HA 0.152 4.609 4.480 -0.039 0.000 0.346 1160 M C 1.037 176.938 176.300 -0.666 0.000 1.074 1160 M CA -0.329 54.652 55.300 -0.532 0.000 1.009 1160 M CB 1.318 33.685 32.600 -0.389 0.000 1.423 1160 M HN 0.841 nan 8.290 nan 0.000 0.410 1161 K N 2.017 122.153 120.400 -0.440 0.000 2.059 1161 K HA -0.200 4.097 4.320 -0.039 0.000 0.212 1161 K C 0.967 177.291 176.600 -0.459 0.000 1.050 1161 K CA 1.752 57.810 56.287 -0.382 0.000 0.927 1161 K CB 0.217 32.430 32.500 -0.479 0.000 0.714 1161 K HN 0.606 nan 8.250 nan 0.000 0.447 1162 H N -0.633 118.288 119.070 -0.248 0.000 2.529 1162 H HA 0.172 4.702 4.556 -0.044 0.000 0.277 1162 H C 1.075 176.337 175.328 -0.111 0.000 1.004 1162 H CA 0.634 56.584 56.048 -0.164 0.000 1.167 1162 H CB 0.386 29.892 29.762 -0.427 0.000 1.445 1162 H HN 0.525 nan 8.280 nan 0.000 0.554 1163 G N 1.871 110.590 108.800 -0.136 0.000 2.562 1163 G HA2 -0.260 3.677 3.960 -0.039 0.000 0.250 1163 G HA3 -0.260 3.677 3.960 -0.039 0.000 0.250 1163 G C -0.142 174.689 174.900 -0.116 0.000 1.269 1163 G CA -0.060 44.967 45.100 -0.122 0.000 0.919 1163 G HN 0.497 nan 8.290 nan 0.000 0.574 1164 D N 0.382 120.740 120.400 -0.071 0.000 2.341 1164 D HA 0.277 4.893 4.640 -0.039 0.000 0.245 1164 D C 1.675 177.966 176.300 -0.014 0.000 1.106 1164 D CA -0.141 53.819 54.000 -0.066 0.000 0.905 1164 D CB 1.676 42.443 40.800 -0.055 0.000 1.202 1164 D HN 0.562 nan 8.370 nan 0.000 0.426 1165 L N 2.678 123.863 121.223 -0.062 0.000 2.083 1165 L HA -0.160 4.157 4.340 -0.039 0.000 0.209 1165 L C 2.679 179.591 176.870 0.069 0.000 1.083 1165 L CA 1.627 56.428 54.840 -0.066 0.000 0.752 1165 L CB -0.716 41.259 42.059 -0.140 0.000 0.899 1165 L HN 0.591 nan 8.230 nan 0.000 0.433 1166 R N -0.517 120.025 120.500 0.069 0.000 2.073 1166 R HA -0.187 4.129 4.340 -0.039 0.000 0.234 1166 R C 2.157 178.537 176.300 0.132 0.000 1.134 1166 R CA 2.079 58.242 56.100 0.105 0.000 0.952 1166 R CB -0.382 29.966 30.300 0.081 0.000 0.850 1166 R HN 0.514 nan 8.270 nan 0.000 0.433 1167 N N -0.629 118.148 118.700 0.128 0.000 2.149 1167 N HA -0.199 4.517 4.740 -0.039 0.000 0.188 1167 N C 1.504 177.133 175.510 0.198 0.000 1.019 1167 N CA 1.435 54.571 53.050 0.143 0.000 0.857 1167 N CB -0.172 38.390 38.487 0.125 0.000 0.997 1167 N HN 0.154 nan 8.380 nan 0.000 0.426 1168 F N 1.984 121.996 119.950 0.102 0.000 2.075 1168 F HA -0.078 4.425 4.527 -0.040 0.000 0.297 1168 F C 1.982 177.937 175.800 0.258 0.000 1.113 1168 F CA 1.178 59.279 58.000 0.168 0.000 1.218 1168 F CB -0.261 38.714 39.000 -0.041 0.000 0.984 1168 F HN 0.016 nan 8.300 nan 0.000 0.472 1169 I N -1.447 119.296 120.570 0.288 0.000 2.676 1169 I HA -0.092 4.055 4.170 -0.039 0.000 0.259 1169 I C 2.097 178.288 176.117 0.122 0.000 1.194 1169 I CA 1.036 62.470 61.300 0.224 0.000 1.473 1169 I CB -0.629 37.537 38.000 0.275 0.000 1.096 1169 I HN 0.065 nan 8.210 nan 0.000 0.443 1170 R N 1.374 121.938 120.500 0.106 0.000 2.148 1170 R HA 0.021 4.338 4.340 -0.039 0.000 0.223 1170 R C 0.801 177.111 176.300 0.016 0.000 1.088 1170 R CA 0.248 56.389 56.100 0.069 0.000 0.985 1170 R CB -0.442 29.908 30.300 0.083 0.000 0.880 1170 R HN 0.386 nan 8.270 nan 0.000 0.451 1171 N N 2.397 121.079 118.700 -0.030 0.000 2.431 1171 N HA -0.081 4.635 4.740 -0.039 0.000 0.265 1171 N C 0.764 176.150 175.510 -0.206 0.000 1.184 1171 N CA 0.232 53.186 53.050 -0.160 0.000 0.943 1171 N CB 0.910 39.211 38.487 -0.309 0.000 1.080 1171 N HN 0.228 nan 8.380 nan 0.000 0.477 1172 E N 1.653 121.772 120.200 -0.135 0.000 2.478 1172 E HA -0.126 4.201 4.350 -0.039 0.000 0.198 1172 E C 0.841 177.366 176.600 -0.125 0.000 1.046 1172 E CA 0.835 57.180 56.400 -0.092 0.000 0.870 1172 E CB -0.508 29.165 29.700 -0.046 0.000 0.818 1172 E HN 0.678 nan 8.360 nan 0.000 0.527 1173 T N -1.972 112.435 114.554 -0.246 0.000 3.118 1173 T HA -0.034 4.293 4.350 -0.039 0.000 0.260 1173 T C 0.486 175.094 174.700 -0.154 0.000 1.139 1173 T CA 0.206 62.178 62.100 -0.214 0.000 1.085 1173 T CB -0.516 68.209 68.868 -0.238 0.000 0.934 1173 T HN 0.303 nan 8.240 nan 0.000 0.518 1174 H N 0.800 119.824 119.070 -0.077 0.000 2.533 1174 H HA 0.537 5.070 4.556 -0.039 0.000 0.343 1174 H C -0.157 175.183 175.328 0.019 0.000 1.160 1174 H CA -1.267 54.747 56.048 -0.056 0.000 1.218 1174 H CB 0.896 30.404 29.762 -0.423 0.000 1.566 1174 H HN 0.056 nan 8.280 nan 0.000 0.522 1175 N N 2.995 121.845 118.700 0.251 0.000 2.696 1175 N HA 0.125 4.842 4.740 -0.039 0.000 0.308 1175 N C -2.847 172.634 175.510 -0.049 0.000 1.915 1175 N CA -1.141 51.923 53.050 0.022 0.000 0.906 1175 N CB 1.188 39.609 38.487 -0.110 0.000 1.284 1175 N HN 0.482 nan 8.380 nan 0.000 0.488 1176 P HA 0.028 nan 4.420 nan 0.000 0.271 1176 P C 0.513 177.755 177.300 -0.097 0.000 1.220 1176 P CA 0.171 63.385 63.100 0.190 0.000 0.768 1176 P CB 0.680 32.607 31.700 0.377 0.000 0.848 1177 T N -0.767 113.678 114.554 -0.181 0.000 2.816 1177 T HA 0.145 4.472 4.350 -0.039 0.000 0.282 1177 T C 1.543 176.095 174.700 -0.248 0.000 0.993 1177 T CA -0.695 61.252 62.100 -0.255 0.000 0.994 1177 T CB 0.146 68.865 68.868 -0.249 0.000 1.025 1177 T HN 0.060 nan 8.240 nan 0.000 0.529 1178 V N 1.301 121.044 119.914 -0.285 0.000 2.282 1178 V HA -0.203 3.893 4.120 -0.039 0.000 0.249 1178 V C 2.859 178.697 176.094 -0.426 0.000 1.057 1178 V CA 2.457 64.573 62.300 -0.306 0.000 1.032 1178 V CB -1.020 30.669 31.823 -0.224 0.000 0.645 1178 V HN 1.033 nan 8.190 nan 0.000 0.447 1179 K N -0.215 119.921 120.400 -0.441 0.000 2.063 1179 K HA -0.245 4.052 4.320 -0.039 0.000 0.208 1179 K C 1.914 178.404 176.600 -0.184 0.000 1.048 1179 K CA 1.978 58.006 56.287 -0.432 0.000 0.928 1179 K CB -0.297 32.041 32.500 -0.270 0.000 0.713 1179 K HN 0.451 nan 8.250 nan 0.000 0.442 1180 D N 0.809 121.082 120.400 -0.211 0.000 2.123 1180 D HA -0.177 4.440 4.640 -0.039 0.000 0.196 1180 D C 1.978 177.938 176.300 -0.568 0.000 0.992 1180 D CA 1.234 55.020 54.000 -0.355 0.000 0.833 1180 D CB -0.088 40.588 40.800 -0.206 0.000 0.954 1180 D HN 0.269 nan 8.370 nan 0.000 0.455 1181 L N 0.228 121.289 121.223 -0.269 0.000 2.072 1181 L HA -0.038 4.279 4.340 -0.039 0.000 0.205 1181 L C 2.549 179.400 176.870 -0.031 0.000 1.079 1181 L CA 0.502 55.295 54.840 -0.078 0.000 0.752 1181 L CB -0.245 41.820 42.059 0.010 0.000 0.906 1181 L HN -0.018 nan 8.230 nan 0.000 0.436 1182 I N 0.119 120.636 120.570 -0.088 0.000 2.286 1182 I HA -0.192 3.955 4.170 -0.039 0.000 0.248 1182 I C 2.595 178.731 176.117 0.032 0.000 1.115 1182 I CA 1.431 62.727 61.300 -0.007 0.000 1.392 1182 I CB -0.862 37.098 38.000 -0.066 0.000 1.065 1182 I HN 0.282 nan 8.210 nan 0.000 0.418 1183 G N 0.377 109.175 108.800 -0.002 0.000 2.422 1183 G HA2 -0.184 3.753 3.960 -0.039 0.000 0.218 1183 G HA3 -0.184 3.753 3.960 -0.039 0.000 0.218 1183 G C 1.637 176.488 174.900 -0.082 0.000 1.140 1183 G CA 0.331 45.274 45.100 -0.261 0.000 0.775 1183 G HN 0.320 nan 8.290 nan 0.000 0.545 1184 F N 1.135 121.085 119.950 -0.000 0.000 2.186 1184 F HA 0.032 4.546 4.527 -0.021 0.000 0.299 1184 F C 2.933 178.760 175.800 0.045 0.000 1.090 1184 F CA 0.197 58.204 58.000 0.012 0.000 1.307 1184 F CB -0.007 39.013 39.000 0.034 0.000 1.019 1184 F HN 0.240 nan 8.300 nan 0.000 0.489 1185 G N 0.447 109.395 108.800 0.248 0.000 2.418 1185 G HA2 -0.279 3.657 3.960 -0.039 0.000 0.217 1185 G HA3 -0.279 3.657 3.960 -0.039 0.000 0.217 1185 G C 1.503 176.582 174.900 0.298 0.000 1.158 1185 G CA 0.729 45.979 45.100 0.250 0.000 0.771 1185 G HN 0.233 nan 8.290 nan 0.000 0.545 1186 L N 0.500 121.804 121.223 0.135 0.000 2.046 1186 L HA -0.023 4.294 4.340 -0.039 0.000 0.208 1186 L C 2.857 179.748 176.870 0.034 0.000 1.077 1186 L CA 1.870 56.738 54.840 0.047 0.000 0.747 1186 L CB -0.689 41.281 42.059 -0.148 0.000 0.896 1186 L HN 0.333 nan 8.230 nan 0.000 0.432 1187 Q N -1.303 118.523 119.800 0.043 0.000 2.079 1187 Q HA -0.155 4.161 4.340 -0.039 0.000 0.200 1187 Q C 2.169 178.203 176.000 0.057 0.000 0.974 1187 Q CA 1.735 57.569 55.803 0.051 0.000 0.840 1187 Q CB -0.249 28.537 28.738 0.080 0.000 0.898 1187 Q HN 0.460 nan 8.270 nan 0.000 0.430 1188 V N 1.113 121.098 119.914 0.117 0.000 2.343 1188 V HA -0.278 3.819 4.120 -0.039 0.000 0.247 1188 V C 2.312 178.366 176.094 -0.068 0.000 1.051 1188 V CA 1.775 64.135 62.300 0.099 0.000 1.036 1188 V CB -0.998 30.989 31.823 0.273 0.000 0.654 1188 V HN 0.380 nan 8.190 nan 0.000 0.451 1189 A N -0.114 122.658 122.820 -0.080 0.000 1.908 1189 A HA -0.256 4.041 4.320 -0.039 0.000 0.218 1189 A C 2.305 179.741 177.584 -0.247 0.000 1.181 1189 A CA 2.078 53.917 52.037 -0.329 0.000 0.627 1189 A CB -0.428 18.464 19.000 -0.180 0.000 0.818 1189 A HN 0.555 nan 8.150 nan 0.000 0.445 1190 K N -0.910 119.415 120.400 -0.124 0.000 2.097 1190 K HA -0.060 4.237 4.320 -0.039 0.000 0.205 1190 K C 2.134 178.553 176.600 -0.302 0.000 1.050 1190 K CA 0.974 57.199 56.287 -0.102 0.000 0.938 1190 K CB -0.397 32.138 32.500 0.059 0.000 0.718 1190 K HN 0.466 nan 8.250 nan 0.000 0.442 1191 G N 1.111 109.747 108.800 -0.275 0.000 2.402 1191 G HA2 -0.216 3.721 3.960 -0.039 0.000 0.216 1191 G HA3 -0.216 3.721 3.960 -0.039 0.000 0.216 1191 G C 1.458 176.111 174.900 -0.413 0.000 1.162 1191 G CA 0.530 45.405 45.100 -0.374 0.000 0.777 1191 G HN 0.055 nan 8.290 nan 0.000 0.539 1192 M N 0.492 119.767 119.600 -0.542 0.000 2.200 1192 M HA 0.086 4.543 4.480 -0.039 0.000 0.265 1192 M C 2.276 178.132 176.300 -0.740 0.000 1.066 1192 M CA 0.966 55.740 55.300 -0.877 0.000 1.127 1192 M CB -0.812 30.729 32.600 -1.766 0.000 1.379 1192 M HN 0.311 nan 8.290 nan 0.000 0.420 1193 K N -0.427 119.690 120.400 -0.472 0.000 2.057 1193 K HA -0.233 4.064 4.320 -0.039 0.000 0.207 1193 K C 2.133 178.618 176.600 -0.192 0.000 1.049 1193 K CA 1.452 57.633 56.287 -0.177 0.000 0.931 1193 K CB -0.318 32.136 32.500 -0.077 0.000 0.714 1193 K HN 0.267 nan 8.250 nan 0.000 0.440 1194 Y N 1.413 121.456 120.300 -0.427 0.000 2.114 1194 Y HA -0.208 4.312 4.550 -0.050 0.000 0.284 1194 Y C 1.848 177.520 175.900 -0.381 0.000 1.143 1194 Y CA 1.663 59.511 58.100 -0.419 0.000 1.135 1194 Y CB -0.160 37.898 38.460 -0.671 0.000 0.980 1194 Y HN -0.006 nan 8.280 nan 0.000 0.499 1195 L N -0.146 120.824 121.223 -0.422 0.000 2.042 1195 L HA -0.250 4.066 4.340 -0.039 0.000 0.210 1195 L C 2.790 179.504 176.870 -0.260 0.000 1.076 1195 L CA 1.172 55.762 54.840 -0.415 0.000 0.749 1195 L CB -1.001 40.934 42.059 -0.206 0.000 0.893 1195 L HN 0.386 nan 8.230 nan 0.000 0.432 1196 A N 0.064 122.768 122.820 -0.192 0.000 1.972 1196 A HA -0.210 4.086 4.320 -0.039 0.000 0.219 1196 A C 2.505 180.023 177.584 -0.110 0.000 1.169 1196 A CA 1.904 53.904 52.037 -0.061 0.000 0.635 1196 A CB -0.586 18.458 19.000 0.072 0.000 0.810 1196 A HN 0.540 nan 8.150 nan 0.000 0.446 1197 S N -0.705 114.866 115.700 -0.215 0.000 2.453 1197 S HA -0.038 4.408 4.470 -0.039 0.000 0.231 1197 S C 1.407 175.852 174.600 -0.258 0.000 1.005 1197 S CA 0.991 59.063 58.200 -0.213 0.000 0.949 1197 S CB -0.115 62.946 63.200 -0.231 0.000 0.774 1197 S HN 0.411 nan 8.310 nan 0.000 0.510 1198 K N 1.190 121.363 120.400 -0.379 0.000 2.458 1198 K HA 0.234 4.531 4.320 -0.039 0.000 0.194 1198 K C 0.078 176.641 176.600 -0.062 0.000 1.024 1198 K CA 0.049 56.152 56.287 -0.307 0.000 1.108 1198 K CB -0.236 31.872 32.500 -0.653 0.000 0.846 1198 K HN 0.476 nan 8.250 nan 0.000 0.518 1199 K N 0.200 120.578 120.400 -0.038 0.000 3.069 1199 K HA -0.207 4.089 4.320 -0.039 0.000 0.267 1199 K C -0.498 176.163 176.600 0.101 0.000 1.082 1199 K CA 0.318 56.622 56.287 0.030 0.000 0.782 1199 K CB -1.633 30.886 32.500 0.031 0.000 1.230 1199 K HN 0.111 nan 8.250 nan 0.000 0.488 1200 F N 0.700 120.624 119.950 -0.044 0.000 2.404 1200 F HA 0.369 4.856 4.527 -0.067 0.000 0.354 1200 F C 0.077 175.883 175.800 0.010 0.000 1.122 1200 F CA -0.881 57.127 58.000 0.013 0.000 1.080 1200 F CB 1.017 40.043 39.000 0.042 0.000 1.131 1200 F HN -0.213 nan 8.300 nan 0.000 0.471 1201 V N 7.221 126.746 119.914 -0.649 0.000 2.370 1201 V HA 0.084 4.180 4.120 -0.039 0.000 0.279 1201 V C 1.129 176.846 176.094 -0.628 0.000 1.029 1201 V CA -0.366 61.697 62.300 -0.394 0.000 0.870 1201 V CB 0.924 32.639 31.823 -0.180 0.000 0.984 1201 V HN 0.862 nan 8.190 nan 0.000 0.451 1202 H N 5.735 124.630 119.070 -0.293 0.000 2.307 1202 H HA -0.082 4.533 4.556 0.097 0.000 0.303 1202 H C 2.049 177.310 175.328 -0.112 0.000 1.073 1202 H CA 2.024 58.002 56.048 -0.116 0.000 1.338 1202 H CB 0.376 30.176 29.762 0.064 0.000 1.389 1202 H HN 0.768 nan 8.280 nan 0.000 0.503 1203 R N 0.096 120.665 120.500 0.115 0.000 3.603 1203 R HA -0.182 4.135 4.340 -0.039 0.000 0.479 1203 R C -0.908 175.395 176.300 0.005 0.000 0.745 1203 R CA 1.712 57.720 56.100 -0.154 0.000 1.476 1203 R CB -1.723 28.204 30.300 -0.621 0.000 2.147 1203 R HN 0.415 nan 8.270 nan 0.000 0.447 1204 D N 0.328 120.961 120.400 0.389 0.000 3.078 1204 D HA 0.194 4.811 4.640 -0.039 0.000 0.363 1204 D C -1.065 175.376 176.300 0.236 0.000 1.391 1204 D CA -0.465 53.720 54.000 0.309 0.000 0.754 1204 D CB 0.460 41.421 40.800 0.268 0.000 1.238 1204 D HN 0.200 nan 8.370 nan 0.000 0.500 1205 L N 1.589 122.865 121.223 0.088 0.000 2.410 1205 L HA 0.672 4.989 4.340 -0.039 0.000 0.273 1205 L C -0.421 176.467 176.870 0.030 0.000 1.152 1205 L CA 0.357 55.126 54.840 -0.117 0.000 0.855 1205 L CB 0.612 42.669 42.059 -0.004 0.000 1.129 1205 L HN 0.264 nan 8.230 nan 0.000 0.463 1206 A N 3.700 126.495 122.820 -0.042 0.000 2.583 1206 A HA 0.642 4.939 4.320 -0.039 0.000 0.292 1206 A C 0.336 177.915 177.584 -0.008 0.000 1.045 1206 A CA -0.144 51.827 52.037 -0.110 0.000 0.672 1206 A CB 0.107 18.665 19.000 -0.737 0.000 1.283 1206 A HN 1.061 nan 8.150 nan 0.000 0.419 1207 A N 0.776 123.649 122.820 0.088 0.000 1.972 1207 A HA -0.126 4.171 4.320 -0.039 0.000 0.219 1207 A C 1.922 179.511 177.584 0.008 0.000 1.169 1207 A CA 2.003 54.083 52.037 0.071 0.000 0.635 1207 A CB -0.608 18.468 19.000 0.126 0.000 0.810 1207 A HN 1.184 nan 8.150 nan 0.000 0.446 1208 R N -0.819 119.656 120.500 -0.041 0.000 2.193 1208 R HA -0.028 4.289 4.340 -0.039 0.000 0.229 1208 R C 0.315 176.605 176.300 -0.017 0.000 1.110 1208 R CA 1.553 57.635 56.100 -0.031 0.000 0.988 1208 R CB -0.401 29.867 30.300 -0.053 0.000 0.871 1208 R HN 0.325 nan 8.270 nan 0.000 0.458 1209 N N -0.005 118.690 118.700 -0.007 0.000 2.238 1209 N HA 0.129 4.846 4.740 -0.039 0.000 0.222 1209 N C -0.920 174.617 175.510 0.045 0.000 1.133 1209 N CA -0.096 52.985 53.050 0.052 0.000 0.854 1209 N CB 0.624 39.194 38.487 0.139 0.000 1.041 1209 N HN 0.155 nan 8.380 nan 0.000 0.510 1210 C N 1.011 120.307 119.300 -0.006 0.000 2.493 1210 C HA 0.609 5.046 4.460 -0.039 0.000 0.326 1210 C C 0.159 175.100 174.990 -0.082 0.000 1.200 1210 C CA -0.861 58.143 59.018 -0.024 0.000 1.739 1210 C CB 1.322 29.045 27.740 -0.029 0.000 2.300 1210 C HN 0.174 nan 8.230 nan 0.000 0.500 1211 M N 2.235 121.771 119.600 -0.106 0.000 2.777 1211 M HA 0.666 5.123 4.480 -0.039 0.000 0.307 1211 M C -1.021 175.146 176.300 -0.221 0.000 1.228 1211 M CA -0.845 54.356 55.300 -0.165 0.000 0.871 1211 M CB 1.433 33.931 32.600 -0.170 0.000 1.721 1211 M HN 0.466 nan 8.290 nan 0.000 0.487 1212 L N 2.604 123.661 121.223 -0.276 0.000 2.446 1212 L HA 0.404 4.721 4.340 -0.039 0.000 0.268 1212 L C -0.692 175.982 176.870 -0.326 0.000 0.975 1212 L CA -0.339 54.280 54.840 -0.368 0.000 0.848 1212 L CB 0.858 42.567 42.059 -0.584 0.000 1.225 1212 L HN 0.747 nan 8.230 nan 0.000 0.410 1213 D N 2.512 122.738 120.400 -0.291 0.000 2.447 1213 D HA 0.056 4.673 4.640 -0.039 0.000 0.265 1213 D C 0.833 176.935 176.300 -0.330 0.000 1.250 1213 D CA 0.340 54.181 54.000 -0.265 0.000 1.046 1213 D CB 0.469 41.161 40.800 -0.180 0.000 1.095 1213 D HN 0.695 nan 8.370 nan 0.000 0.555 1214 E N -0.650 119.387 120.200 -0.272 0.000 2.268 1214 E HA -0.215 4.112 4.350 -0.039 0.000 0.195 1214 E C 0.921 177.294 176.600 -0.378 0.000 0.995 1214 E CA 0.855 57.076 56.400 -0.298 0.000 0.836 1214 E CB -0.407 29.199 29.700 -0.157 0.000 0.763 1214 E HN 0.614 nan 8.360 nan 0.000 0.491 1215 K N -0.072 120.157 120.400 -0.284 0.000 2.440 1215 K HA 0.164 4.461 4.320 -0.039 0.000 0.206 1215 K C -0.611 175.990 176.600 0.002 0.000 1.025 1215 K CA -0.371 55.849 56.287 -0.112 0.000 1.135 1215 K CB -0.410 32.091 32.500 0.002 0.000 0.856 1215 K HN 0.027 nan 8.250 nan 0.000 0.502 1216 F N 0.422 120.326 119.950 -0.077 0.000 3.058 1216 F HA -0.219 4.281 4.527 -0.045 0.000 0.295 1216 F C -0.527 175.245 175.800 -0.046 0.000 0.875 1216 F CA 0.577 58.482 58.000 -0.158 0.000 1.150 1216 F CB -2.568 36.355 39.000 -0.128 0.000 1.175 1216 F HN 0.019 nan 8.300 nan 0.000 0.599 1217 T N 1.167 115.710 114.554 -0.018 0.000 2.749 1217 T HA 0.523 4.850 4.350 -0.039 0.000 0.295 1217 T C 0.461 175.108 174.700 -0.090 0.000 0.936 1217 T CA -0.533 61.557 62.100 -0.017 0.000 1.060 1217 T CB 1.475 70.321 68.868 -0.037 0.000 0.904 1217 T HN 0.057 nan 8.240 nan 0.000 0.500 1218 V N 5.488 125.366 119.914 -0.060 0.000 2.530 1218 V HA 0.282 4.378 4.120 -0.039 0.000 0.282 1218 V C 0.324 176.387 176.094 -0.052 0.000 1.048 1218 V CA -0.422 61.813 62.300 -0.108 0.000 0.997 1218 V CB 0.579 32.352 31.823 -0.083 0.000 0.987 1218 V HN 0.661 nan 8.190 nan 0.000 0.477 1219 K N 3.984 124.346 120.400 -0.064 0.000 2.394 1219 K HA 0.447 4.744 4.320 -0.039 0.000 0.260 1219 K C -0.826 175.793 176.600 0.031 0.000 0.967 1219 K CA -0.737 55.547 56.287 -0.006 0.000 0.855 1219 K CB 2.006 34.496 32.500 -0.017 0.000 1.101 1219 K HN 0.405 nan 8.250 nan 0.000 0.433 1220 V N 2.832 122.787 119.914 0.068 0.000 2.540 1220 V HA 0.123 4.220 4.120 -0.039 0.000 0.297 1220 V C 0.781 177.052 176.094 0.295 0.000 1.024 1220 V CA 0.344 62.711 62.300 0.112 0.000 1.105 1220 V CB 0.413 32.255 31.823 0.033 0.000 0.938 1220 V HN 0.934 nan 8.190 nan 0.000 0.482 1221 A N 3.741 126.750 122.820 0.314 0.000 3.509 1221 A HA 0.672 4.969 4.320 -0.039 0.000 0.188 1221 A C 0.530 178.433 177.584 0.531 0.000 1.116 1221 A CA 0.123 52.372 52.037 0.354 0.000 0.859 1221 A CB 0.063 19.119 19.000 0.093 0.000 1.471 1221 A HN 0.864 nan 8.150 nan 0.000 0.606 1222 D N -1.922 118.657 120.400 0.298 0.000 2.686 1222 D HA -0.159 4.457 4.640 -0.039 0.000 0.235 1222 D C -0.380 176.111 176.300 0.319 0.000 1.160 1222 D CA 1.689 55.897 54.000 0.347 0.000 0.645 1222 D CB -1.644 39.404 40.800 0.414 0.000 1.039 1222 D HN 1.075 nan 8.370 nan 0.000 0.423 1223 F N -2.913 117.083 119.950 0.077 0.000 2.643 1223 F HA 0.715 5.194 4.527 -0.081 0.000 0.314 1223 F C 1.211 177.012 175.800 0.001 0.000 1.096 1223 F CA 0.015 58.023 58.000 0.013 0.000 0.953 1223 F CB 1.003 40.022 39.000 0.031 0.000 1.345 1223 F HN 0.171 nan 8.300 nan 0.000 0.468 1224 G N 1.340 110.172 108.800 0.053 0.000 2.611 1224 G HA2 -0.326 3.610 3.960 -0.039 0.000 0.301 1224 G HA3 -0.326 3.610 3.960 -0.039 0.000 0.301 1224 G C 0.549 175.347 174.900 -0.170 0.000 1.233 1224 G CA 0.433 45.442 45.100 -0.152 0.000 0.993 1224 G HN 1.044 nan 8.290 nan 0.000 0.553 1225 L N 1.246 122.315 121.223 -0.256 0.000 2.362 1225 L HA 0.168 4.484 4.340 -0.039 0.000 0.219 1225 L C 3.116 179.932 176.870 -0.090 0.000 1.134 1225 L CA 1.368 56.108 54.840 -0.168 0.000 0.807 1225 L CB -0.496 41.437 42.059 -0.210 0.000 0.927 1225 L HN 0.703 nan 8.230 nan 0.000 0.447 1226 A N -0.199 122.539 122.820 -0.138 0.000 2.251 1226 A HA -0.020 4.277 4.320 -0.039 0.000 0.209 1226 A C 1.256 178.931 177.584 0.153 0.000 1.187 1226 A CA -0.201 51.837 52.037 0.003 0.000 0.823 1226 A CB -0.294 18.654 19.000 -0.087 0.000 0.846 1226 A HN 0.273 nan 8.150 nan 0.000 0.486 1227 R N 0.749 121.314 120.500 0.108 0.000 2.489 1227 R HA 0.274 4.591 4.340 -0.039 0.000 0.287 1227 R C -1.082 175.337 176.300 0.199 0.000 1.053 1227 R CA 0.322 56.523 56.100 0.169 0.000 1.036 1227 R CB 0.230 30.615 30.300 0.142 0.000 0.966 1227 R HN 0.342 nan 8.270 nan 0.000 0.432 1228 D N 2.652 123.052 120.400 -0.000 0.000 2.792 1228 D HA 0.107 4.723 4.640 -0.039 0.000 0.335 1228 D C -1.625 174.354 176.300 -0.536 0.000 1.353 1228 D CA -0.597 53.173 54.000 -0.383 0.000 0.839 1228 D CB 1.167 41.514 40.800 -0.755 0.000 1.396 1228 D HN 0.515 nan 8.370 nan 0.000 0.479 1229 M N 2.320 121.495 119.600 -0.707 0.000 2.047 1229 M HA 0.290 4.747 4.480 -0.039 0.000 0.342 1229 M C -0.701 175.313 176.300 -0.478 0.000 1.058 1229 M CA -0.332 54.572 55.300 -0.660 0.000 0.991 1229 M CB 0.667 32.793 32.600 -0.791 0.000 1.474 1229 M HN 0.424 nan 8.290 nan 0.000 0.419 1230 Y N 0.744 120.991 120.300 -0.088 0.000 2.479 1230 Y HA 0.233 4.756 4.550 -0.046 0.000 0.283 1230 Y C 0.536 176.473 175.900 0.061 0.000 1.109 1230 Y CA 0.037 58.136 58.100 -0.001 0.000 1.239 1230 Y CB 0.590 39.060 38.460 0.017 0.000 1.108 1230 Y HN 0.507 nan 8.280 nan 0.000 0.548 1231 D N 0.003 120.573 120.400 0.284 0.000 2.454 1231 D HA 0.201 4.817 4.640 -0.039 0.000 0.247 1231 D C 0.257 176.759 176.300 0.338 0.000 1.129 1231 D CA -0.163 54.018 54.000 0.302 0.000 0.877 1231 D CB 0.921 41.948 40.800 0.379 0.000 1.082 1231 D HN 0.052 nan 8.370 nan 0.000 0.537 1232 K N 1.781 122.293 120.400 0.188 0.000 2.209 1232 K HA -0.157 4.140 4.320 -0.039 0.000 0.204 1232 K C 1.524 178.224 176.600 0.166 0.000 1.048 1232 K CA 0.686 57.068 56.287 0.159 0.000 0.940 1232 K CB 0.349 32.901 32.500 0.087 0.000 0.729 1232 K HN 0.487 nan 8.250 nan 0.000 0.451 1233 E N 0.478 120.697 120.200 0.031 0.000 2.171 1233 E HA -0.212 4.114 4.350 -0.039 0.000 0.197 1233 E C 0.469 176.861 176.600 -0.346 0.000 0.997 1233 E CA 1.275 57.531 56.400 -0.241 0.000 0.810 1233 E CB 0.031 29.436 29.700 -0.492 0.000 0.738 1233 E HN 0.453 nan 8.360 nan 0.000 0.467 1234 Y N -1.262 119.106 120.300 0.113 0.000 2.658 1234 Y HA 0.219 4.754 4.550 -0.024 0.000 0.276 1234 Y C -0.816 174.877 175.900 -0.345 0.000 1.167 1234 Y CA -0.571 57.490 58.100 -0.065 0.000 1.230 1234 Y CB 0.455 38.816 38.460 -0.166 0.000 1.144 1234 Y HN -0.052 nan 8.280 nan 0.000 0.529 1235 Y N -0.836 119.519 120.300 0.092 0.000 2.361 1235 Y HA 0.510 5.024 4.550 -0.059 0.000 0.337 1235 Y C 0.211 176.102 175.900 -0.016 0.000 0.965 1235 Y CA -1.025 57.100 58.100 0.041 0.000 1.091 1235 Y CB 1.763 40.217 38.460 -0.010 0.000 1.182 1235 Y HN -0.163 nan 8.280 nan 0.000 0.450 1244 K N 2.343 122.739 120.400 -0.007 0.000 2.383 1244 K HA 0.639 4.935 4.320 -0.039 0.000 0.286 1244 K C -0.812 175.897 176.600 0.182 0.000 1.051 1244 K CA 0.143 56.454 56.287 0.039 0.000 0.974 1244 K CB 0.539 32.975 32.500 -0.107 0.000 0.968 1244 K HN 0.448 nan 8.250 nan 0.000 0.475 1245 L N 4.854 126.207 121.223 0.216 0.000 2.385 1245 L HA 0.399 4.716 4.340 -0.039 0.000 0.273 1245 L C -2.188 174.774 176.870 0.154 0.000 0.990 1245 L CA -2.430 52.544 54.840 0.222 0.000 0.821 1245 L CB 2.397 44.543 42.059 0.146 0.000 1.279 1245 L HN 0.634 nan 8.230 nan 0.000 0.412 1246 P HA 0.023 nan 4.420 nan 0.000 0.225 1246 P C 1.046 178.469 177.300 0.205 0.000 1.813 1246 P CA -0.236 62.816 63.100 -0.079 0.000 1.013 1246 P CB 0.277 31.848 31.700 -0.216 0.000 1.961 1247 V N 0.491 120.482 119.914 0.129 0.000 2.469 1247 V HA -0.228 3.869 4.120 -0.039 0.000 0.251 1247 V C 1.861 177.997 176.094 0.070 0.000 1.064 1247 V CA 1.439 63.781 62.300 0.069 0.000 1.066 1247 V CB -1.402 30.403 31.823 -0.031 0.000 0.667 1247 V HN 0.142 nan 8.190 nan 0.000 0.461 1248 K N -1.014 119.473 120.400 0.146 0.000 2.504 1248 K HA 0.014 4.311 4.320 -0.039 0.000 0.195 1248 K C 1.602 178.157 176.600 -0.074 0.000 1.036 1248 K CA 1.118 57.392 56.287 -0.021 0.000 0.984 1248 K CB -0.124 32.332 32.500 -0.074 0.000 0.788 1248 K HN 0.681 nan 8.250 nan 0.000 0.488 1249 W N 0.179 121.560 121.300 0.136 0.000 3.127 1249 W HA 0.251 4.911 4.660 0.000 0.000 0.344 1249 W C 0.198 176.874 176.519 0.262 0.000 1.151 1249 W CA -0.420 57.069 57.345 0.241 0.000 1.765 1249 W CB 0.305 29.876 29.460 0.185 0.000 1.085 1249 W HN -0.012 nan 8.180 nan 0.000 0.596 1250 M N 0.441 120.176 119.600 0.224 0.000 2.277 1250 M HA 0.416 4.873 4.480 -0.039 0.000 0.350 1250 M C 0.577 176.503 176.300 -0.622 0.000 1.180 1250 M CA -0.278 55.012 55.300 -0.017 0.000 1.103 1250 M CB 1.400 33.998 32.600 -0.004 0.000 1.577 1250 M HN -0.273 nan 8.290 nan 0.000 0.459 1251 A N 2.590 124.934 122.820 -0.792 0.000 2.386 1251 A HA 0.276 4.573 4.320 -0.039 0.000 0.248 1251 A C 1.044 178.037 177.584 -0.986 0.000 1.082 1251 A CA -0.378 50.799 52.037 -1.433 0.000 0.789 1251 A CB 0.203 18.845 19.000 -0.596 0.000 1.025 1251 A HN 1.049 nan 8.150 nan 0.000 0.490 1252 L N 0.501 121.074 121.223 -1.082 0.000 1.997 1252 L HA -0.246 4.071 4.340 -0.039 0.000 0.216 1252 L C 2.873 179.546 176.870 -0.330 0.000 1.074 1252 L CA 2.139 56.664 54.840 -0.523 0.000 0.763 1252 L CB -0.463 41.414 42.059 -0.303 0.000 0.890 1252 L HN 1.001 nan 8.230 nan 0.000 0.434 1253 E N -0.379 119.657 120.200 -0.273 0.000 2.153 1253 E HA -0.185 4.141 4.350 -0.039 0.000 0.194 1253 E C 2.008 178.462 176.600 -0.243 0.000 0.988 1253 E CA 1.789 58.073 56.400 -0.193 0.000 0.811 1253 E CB -0.434 29.191 29.700 -0.124 0.000 0.746 1253 E HN 0.397 nan 8.360 nan 0.000 0.466 1254 S N 1.257 116.754 115.700 -0.339 0.000 2.383 1254 S HA 0.007 4.453 4.470 -0.039 0.000 0.227 1254 S C 2.134 176.514 174.600 -0.367 0.000 1.026 1254 S CA 0.935 58.855 58.200 -0.467 0.000 0.981 1254 S CB -0.291 62.504 63.200 -0.675 0.000 0.818 1254 S HN 0.221 nan 8.310 nan 0.000 0.472 1255 L N 1.211 122.254 121.223 -0.299 0.000 2.265 1255 L HA -0.132 4.184 4.340 -0.039 0.000 0.215 1255 L C 2.624 179.401 176.870 -0.155 0.000 1.117 1255 L CA 0.795 55.511 54.840 -0.207 0.000 0.782 1255 L CB -0.357 41.578 42.059 -0.207 0.000 0.914 1255 L HN 0.266 nan 8.230 nan 0.000 0.441 1256 Q N -0.775 118.929 119.800 -0.160 0.000 2.134 1256 Q HA -0.059 4.258 4.340 -0.039 0.000 0.195 1256 Q C 2.339 178.278 176.000 -0.102 0.000 0.958 1256 Q CA 1.950 57.687 55.803 -0.111 0.000 0.840 1256 Q CB -0.346 28.333 28.738 -0.099 0.000 0.918 1256 Q HN 0.563 nan 8.270 nan 0.000 0.467 1257 T N -2.738 111.737 114.554 -0.132 0.000 3.022 1257 T HA 0.073 4.399 4.350 -0.039 0.000 0.250 1257 T C 0.597 175.227 174.700 -0.117 0.000 1.060 1257 T CA 0.072 62.107 62.100 -0.109 0.000 1.013 1257 T CB 0.234 69.037 68.868 -0.109 0.000 0.982 1257 T HN 0.246 nan 8.240 nan 0.000 0.508 1258 Q N 0.442 120.130 119.800 -0.186 0.000 2.461 1258 Q HA -0.175 4.142 4.340 -0.039 0.000 0.264 1258 Q C -0.660 175.221 176.000 -0.199 0.000 1.085 1258 Q CA 0.823 56.511 55.803 -0.193 0.000 1.006 1258 Q CB -1.491 27.240 28.738 -0.011 0.000 1.437 1258 Q HN 0.647 nan 8.270 nan 0.000 0.514 1259 K N 0.065 120.294 120.400 -0.286 0.000 2.123 1259 K HA 0.656 4.953 4.320 -0.039 0.000 0.259 1259 K C -0.509 175.862 176.600 -0.381 0.000 0.960 1259 K CA -0.291 55.903 56.287 -0.156 0.000 0.872 1259 K CB 0.831 33.288 32.500 -0.072 0.000 1.079 1259 K HN -0.097 nan 8.250 nan 0.000 0.440 1260 F N 0.248 120.198 119.950 0.001 0.000 2.551 1260 F HA 0.377 4.885 4.527 -0.032 0.000 0.316 1260 F C 0.488 176.294 175.800 0.009 0.000 1.089 1260 F CA -0.621 57.387 58.000 0.013 0.000 0.915 1260 F CB 2.262 41.276 39.000 0.022 0.000 1.186 1260 F HN 0.542 nan 8.300 nan 0.000 0.456 1261 T N -2.924 111.746 114.554 0.194 0.000 2.838 1261 T HA 0.309 4.635 4.350 -0.039 0.000 0.292 1261 T C 0.585 175.375 174.700 0.149 0.000 1.113 1261 T CA -0.581 61.593 62.100 0.123 0.000 1.008 1261 T CB 1.441 70.353 68.868 0.073 0.000 1.259 1261 T HN 0.423 nan 8.240 nan 0.000 0.520 1262 T N 0.923 115.549 114.554 0.120 0.000 2.759 1262 T HA -0.070 4.257 4.350 -0.039 0.000 0.269 1262 T C 1.830 176.621 174.700 0.153 0.000 1.042 1262 T CA 1.049 63.252 62.100 0.173 0.000 1.140 1262 T CB -0.301 68.654 68.868 0.144 0.000 0.864 1262 T HN 0.483 nan 8.240 nan 0.000 0.455 1263 K N 1.683 122.137 120.400 0.090 0.000 2.147 1263 K HA -0.034 4.263 4.320 -0.039 0.000 0.205 1263 K C 2.673 179.369 176.600 0.161 0.000 1.049 1263 K CA 1.403 57.734 56.287 0.073 0.000 0.936 1263 K CB -0.655 31.875 32.500 0.050 0.000 0.722 1263 K HN 0.573 nan 8.250 nan 0.000 0.446 1264 S N 0.827 116.637 115.700 0.183 0.000 2.436 1264 S HA -0.076 4.370 4.470 -0.039 0.000 0.228 1264 S C 1.454 176.272 174.600 0.363 0.000 1.014 1264 S CA 0.754 59.098 58.200 0.239 0.000 0.950 1264 S CB -0.039 63.245 63.200 0.139 0.000 0.784 1264 S HN 0.103 nan 8.310 nan 0.000 0.504 1265 D N 1.752 122.367 120.400 0.359 0.000 2.178 1265 D HA -0.018 4.599 4.640 -0.039 0.000 0.201 1265 D C 2.050 178.662 176.300 0.520 0.000 0.980 1265 D CA 0.777 55.050 54.000 0.455 0.000 0.842 1265 D CB -0.427 40.662 40.800 0.483 0.000 0.948 1265 D HN 0.315 nan 8.370 nan 0.000 0.472 1266 V N 0.817 120.893 119.914 0.269 0.000 2.295 1266 V HA -0.207 3.890 4.120 -0.039 0.000 0.246 1266 V C 2.200 178.480 176.094 0.311 0.000 1.049 1266 V CA 1.297 63.612 62.300 0.025 0.000 1.024 1266 V CB -0.464 31.199 31.823 -0.266 0.000 0.648 1266 V HN 0.384 nan 8.190 nan 0.000 0.447 1267 W N 1.209 122.637 121.300 0.213 0.000 2.317 1267 W HA -0.252 4.376 4.660 -0.053 0.000 0.318 1267 W C 2.597 179.384 176.519 0.446 0.000 1.227 1267 W CA 2.431 59.986 57.345 0.349 0.000 1.269 1267 W CB -0.735 28.915 29.460 0.317 0.000 1.155 1267 W HN 0.327 nan 8.180 nan 0.000 0.484 1268 S N 0.476 116.648 115.700 0.788 0.000 2.383 1268 S HA -0.252 4.194 4.470 -0.039 0.000 0.229 1268 S C 1.617 176.578 174.600 0.601 0.000 1.030 1268 S CA 1.668 60.298 58.200 0.717 0.000 1.002 1268 S CB -1.115 62.451 63.200 0.609 0.000 0.829 1268 S HN 0.371 nan 8.310 nan 0.000 0.467 1269 F N 2.423 122.618 119.950 0.410 0.000 2.126 1269 F HA -0.087 4.392 4.527 -0.080 0.000 0.299 1269 F C 2.286 178.219 175.800 0.222 0.000 1.096 1269 F CA 1.304 59.500 58.000 0.327 0.000 1.255 1269 F CB -0.744 38.501 39.000 0.408 0.000 0.997 1269 F HN 0.251 nan 8.300 nan 0.000 0.479 1270 G N -0.055 108.759 108.800 0.023 0.000 2.440 1270 G HA2 -0.237 3.699 3.960 -0.039 0.000 0.218 1270 G HA3 -0.237 3.699 3.960 -0.039 0.000 0.218 1270 G C 1.644 176.642 174.900 0.163 0.000 1.154 1270 G CA 1.198 46.132 45.100 -0.277 0.000 0.767 1270 G HN 0.344 nan 8.290 nan 0.000 0.552 1271 V N 0.841 121.041 119.914 0.478 0.000 2.407 1271 V HA -0.106 3.991 4.120 -0.039 0.000 0.248 1271 V C 2.645 178.938 176.094 0.332 0.000 1.055 1271 V CA 1.547 64.059 62.300 0.355 0.000 1.049 1271 V CB -0.412 31.437 31.823 0.044 0.000 0.662 1271 V HN 0.410 nan 8.190 nan 0.000 0.455 1272 L N -0.714 120.688 121.223 0.300 0.000 2.093 1272 L HA -0.133 4.183 4.340 -0.039 0.000 0.208 1272 L C 2.332 179.246 176.870 0.073 0.000 1.085 1272 L CA 1.504 56.490 54.840 0.243 0.000 0.755 1272 L CB -0.145 42.043 42.059 0.214 0.000 0.904 1272 L HN 0.236 nan 8.230 nan 0.000 0.435 1273 L N -1.397 119.735 121.223 -0.151 0.000 2.042 1273 L HA -0.273 4.043 4.340 -0.039 0.000 0.210 1273 L C 2.363 179.276 176.870 0.072 0.000 1.076 1273 L CA 1.915 56.674 54.840 -0.135 0.000 0.749 1273 L CB -0.711 41.159 42.059 -0.316 0.000 0.893 1273 L HN 0.507 nan 8.230 nan 0.000 0.432 1274 W N 1.395 122.702 121.300 0.011 0.000 2.335 1274 W HA -0.235 4.393 4.660 -0.053 0.000 0.311 1274 W C 2.471 179.023 176.519 0.055 0.000 1.213 1274 W CA 1.897 59.288 57.345 0.077 0.000 1.274 1274 W CB -0.027 29.530 29.460 0.161 0.000 1.148 1274 W HN 0.100 nan 8.180 nan 0.000 0.498 1275 E N 0.098 120.484 120.200 0.310 0.000 2.070 1275 E HA -0.301 4.025 4.350 -0.039 0.000 0.197 1275 E C 2.177 178.801 176.600 0.040 0.000 1.004 1275 E CA 1.964 58.469 56.400 0.175 0.000 0.805 1275 E CB -0.789 29.093 29.700 0.304 0.000 0.744 1275 E HN 0.378 nan 8.360 nan 0.000 0.451 1276 L N 0.248 121.515 121.223 0.074 0.000 2.012 1276 L HA -0.209 4.107 4.340 -0.039 0.000 0.210 1276 L C 2.445 179.335 176.870 0.032 0.000 1.073 1276 L CA 0.845 55.739 54.840 0.089 0.000 0.748 1276 L CB -0.277 41.852 42.059 0.116 0.000 0.891 1276 L HN 0.241 nan 8.230 nan 0.000 0.431 1277 M N -0.907 118.664 119.600 -0.048 0.000 2.562 1277 M HA -0.036 4.421 4.480 -0.039 0.000 0.257 1277 M C 1.962 178.187 176.300 -0.123 0.000 1.099 1277 M CA 1.206 56.474 55.300 -0.052 0.000 1.099 1277 M CB -1.487 31.077 32.600 -0.060 0.000 1.427 1277 M HN 0.351 nan 8.290 nan 0.000 0.489 1278 T N -3.115 111.250 114.554 -0.315 0.000 3.122 1278 T HA 0.259 4.585 4.350 -0.039 0.000 0.250 1278 T C 0.722 175.352 174.700 -0.116 0.000 1.067 1278 T CA -0.376 61.506 62.100 -0.362 0.000 0.966 1278 T CB -0.130 68.270 68.868 -0.779 0.000 1.002 1278 T HN 0.414 nan 8.240 nan 0.000 0.542 1279 R N 0.799 121.304 120.500 0.009 0.000 3.416 1279 R HA -0.166 4.150 4.340 -0.039 0.000 0.263 1279 R C 1.065 177.400 176.300 0.058 0.000 1.053 1279 R CA 0.453 56.598 56.100 0.074 0.000 0.705 1279 R CB -2.274 28.094 30.300 0.112 0.000 1.124 1279 R HN 0.949 nan 8.270 nan 0.000 0.444 1280 G N -1.611 107.216 108.800 0.043 0.000 2.149 1280 G HA2 -0.250 3.686 3.960 -0.039 0.000 0.235 1280 G HA3 -0.250 3.686 3.960 -0.039 0.000 0.235 1280 G C 0.293 175.247 174.900 0.090 0.000 1.018 1280 G CA 0.218 45.371 45.100 0.089 0.000 0.728 1280 G HN 0.885 nan 8.290 nan 0.000 0.508 1281 A N 0.702 123.531 122.820 0.015 0.000 2.531 1281 A HA 0.569 4.866 4.320 -0.039 0.000 0.236 1281 A C -0.906 176.839 177.584 0.268 0.000 1.062 1281 A CA -0.073 52.019 52.037 0.091 0.000 0.760 1281 A CB 0.203 19.198 19.000 -0.009 0.000 0.995 1281 A HN 0.369 nan 8.150 nan 0.000 0.501 1282 P HA 0.253 nan 4.420 nan 0.000 0.276 1282 P C -2.737 174.693 177.300 0.216 0.000 1.230 1282 P CA -1.234 62.033 63.100 0.279 0.000 0.776 1282 P CB 0.438 32.331 31.700 0.322 0.000 0.888 1283 P HA 0.091 nan 4.420 nan 0.000 0.278 1283 P C -0.541 176.539 177.300 -0.367 0.000 1.238 1283 P CA -0.254 62.486 63.100 -0.600 0.000 0.794 1283 P CB 0.066 31.180 31.700 -0.977 0.000 0.955 1284 Y N 0.485 120.528 120.300 -0.428 0.000 2.981 1284 Y HA -0.173 4.351 4.550 -0.043 0.000 0.204 1284 Y C -1.048 174.723 175.900 -0.214 0.000 1.265 1284 Y CA -0.134 57.748 58.100 -0.364 0.000 0.941 1284 Y CB -2.531 35.644 38.460 -0.475 0.000 1.254 1284 Y HN 0.441 nan 8.280 nan 0.000 0.469 1285 P HA -0.107 nan 4.420 nan 0.000 0.223 1285 P C 0.645 177.952 177.300 0.012 0.000 1.151 1285 P CA 1.484 64.610 63.100 0.044 0.000 0.787 1285 P CB 0.388 32.131 31.700 0.071 0.000 0.788 1286 D N -0.598 119.788 120.400 -0.024 0.000 2.340 1286 D HA 0.094 4.711 4.640 -0.039 0.000 0.217 1286 D C 0.151 176.403 176.300 -0.082 0.000 1.081 1286 D CA 0.149 54.131 54.000 -0.030 0.000 0.842 1286 D CB 0.564 41.358 40.800 -0.009 0.000 0.934 1286 D HN 0.057 nan 8.370 nan 0.000 0.511 1287 V N 1.934 121.760 119.914 -0.147 0.000 2.357 1287 V HA 0.151 4.247 4.120 -0.039 0.000 0.284 1287 V C 0.238 176.257 176.094 -0.125 0.000 1.018 1287 V CA -1.230 60.933 62.300 -0.228 0.000 0.841 1287 V CB 1.354 32.845 31.823 -0.553 0.000 0.991 1287 V HN 0.067 nan 8.190 nan 0.000 0.437 1288 N N 3.414 122.081 118.700 -0.056 0.000 2.508 1288 N HA 0.037 4.753 4.740 -0.039 0.000 0.264 1288 N C 1.127 176.623 175.510 -0.023 0.000 1.216 1288 N CA 0.401 53.452 53.050 0.003 0.000 0.943 1288 N CB 1.282 39.816 38.487 0.078 0.000 1.113 1288 N HN 0.536 nan 8.380 nan 0.000 0.447 1289 T N 2.170 116.697 114.554 -0.045 0.000 2.778 1289 T HA -0.151 4.175 4.350 -0.039 0.000 0.269 1289 T C 0.927 175.540 174.700 -0.144 0.000 1.050 1289 T CA 1.380 63.403 62.100 -0.128 0.000 1.137 1289 T CB -0.543 68.215 68.868 -0.185 0.000 0.860 1289 T HN 0.518 nan 8.240 nan 0.000 0.468 1290 F N 1.344 121.270 119.950 -0.041 0.000 2.451 1290 F HA -0.006 4.500 4.527 -0.034 0.000 0.299 1290 F C 1.843 177.615 175.800 -0.046 0.000 1.101 1290 F CA 0.668 58.647 58.000 -0.036 0.000 1.436 1290 F CB -0.043 38.943 39.000 -0.024 0.000 1.074 1290 F HN 0.124 nan 8.300 nan 0.000 0.553 1291 D N -1.053 119.406 120.400 0.099 0.000 2.398 1291 D HA 0.055 4.671 4.640 -0.039 0.000 0.210 1291 D C 2.101 178.391 176.300 -0.015 0.000 1.094 1291 D CA 0.147 54.176 54.000 0.047 0.000 0.839 1291 D CB 0.061 40.889 40.800 0.047 0.000 0.963 1291 D HN 0.194 nan 8.370 nan 0.000 0.506 1292 I N 0.853 121.366 120.570 -0.096 0.000 2.286 1292 I HA -0.217 3.930 4.170 -0.039 0.000 0.248 1292 I C 1.893 177.941 176.117 -0.115 0.000 1.115 1292 I CA 1.577 62.757 61.300 -0.200 0.000 1.392 1292 I CB -0.237 37.569 38.000 -0.324 0.000 1.065 1292 I HN -0.165 nan 8.210 nan 0.000 0.418 1293 T N -0.263 114.241 114.554 -0.083 0.000 2.746 1293 T HA -0.123 4.203 4.350 -0.039 0.000 0.267 1293 T C 2.015 176.700 174.700 -0.026 0.000 1.039 1293 T CA 1.776 63.835 62.100 -0.068 0.000 1.142 1293 T CB -0.374 68.453 68.868 -0.068 0.000 0.866 1293 T HN 0.195 nan 8.240 nan 0.000 0.444 1294 V N 0.414 120.330 119.914 0.003 0.000 2.358 1294 V HA -0.155 3.942 4.120 -0.039 0.000 0.246 1294 V C 1.989 178.099 176.094 0.027 0.000 1.047 1294 V CA 1.536 63.844 62.300 0.014 0.000 1.035 1294 V CB -0.707 31.132 31.823 0.027 0.000 0.658 1294 V HN 0.495 nan 8.190 nan 0.000 0.452 1295 Y N 0.591 120.843 120.300 -0.079 0.000 2.097 1295 Y HA -0.264 4.262 4.550 -0.039 0.000 0.282 1295 Y C 2.231 178.086 175.900 -0.075 0.000 1.152 1295 Y CA 1.898 59.949 58.100 -0.082 0.000 1.136 1295 Y CB -0.271 38.111 38.460 -0.129 0.000 0.975 1295 Y HN 0.140 nan 8.280 nan 0.000 0.498 1296 L N -0.469 120.759 121.223 0.009 0.000 2.046 1296 L HA -0.240 4.077 4.340 -0.039 0.000 0.208 1296 L C 2.302 179.133 176.870 -0.065 0.000 1.077 1296 L CA 1.146 55.964 54.840 -0.036 0.000 0.747 1296 L CB -0.601 41.479 42.059 0.035 0.000 0.896 1296 L HN 0.270 nan 8.230 nan 0.000 0.432 1297 L N -0.554 120.640 121.223 -0.048 0.000 2.549 1297 L HA -0.163 4.154 4.340 -0.039 0.000 0.229 1297 L C 2.226 179.055 176.870 -0.067 0.000 1.158 1297 L CA 0.575 55.389 54.840 -0.043 0.000 0.842 1297 L CB -0.406 41.635 42.059 -0.030 0.000 0.952 1297 L HN 0.380 nan 8.230 nan 0.000 0.452 1298 Q N 0.199 119.929 119.800 -0.116 0.000 2.488 1298 Q HA 0.014 4.331 4.340 -0.039 0.000 0.211 1298 Q C 1.121 177.045 176.000 -0.126 0.000 0.967 1298 Q CA 0.605 56.330 55.803 -0.130 0.000 0.926 1298 Q CB 0.207 28.830 28.738 -0.192 0.000 0.992 1298 Q HN 0.578 nan 8.270 nan 0.000 0.506 1299 G N 1.141 109.870 108.800 -0.119 0.000 2.288 1299 G HA2 -0.208 3.729 3.960 -0.039 0.000 0.205 1299 G HA3 -0.208 3.729 3.960 -0.039 0.000 0.205 1299 G C -0.520 174.312 174.900 -0.114 0.000 1.071 1299 G CA -0.496 44.550 45.100 -0.089 0.000 0.788 1299 G HN 0.138 nan 8.290 nan 0.000 0.491 1300 R N -0.550 119.851 120.500 -0.165 0.000 2.803 1300 R HA 0.878 5.194 4.340 -0.039 0.000 0.276 1300 R C -0.101 176.151 176.300 -0.080 0.000 0.978 1300 R CA -1.005 54.980 56.100 -0.191 0.000 0.939 1300 R CB 1.586 31.576 30.300 -0.517 0.000 1.179 1300 R HN 0.153 nan 8.270 nan 0.000 0.472 1301 R N 1.170 121.650 120.500 -0.034 0.000 2.799 1301 R HA 0.388 4.704 4.340 -0.039 0.000 0.270 1301 R C -0.654 175.580 176.300 -0.110 0.000 1.010 1301 R CA -1.169 54.868 56.100 -0.105 0.000 0.916 1301 R CB 0.986 31.264 30.300 -0.037 0.000 1.228 1301 R HN 0.445 nan 8.270 nan 0.000 0.469 1302 L N 2.246 123.188 121.223 -0.469 0.000 2.559 1302 L HA 0.035 4.352 4.340 -0.039 0.000 0.282 1302 L C 0.628 177.530 176.870 0.054 0.000 1.232 1302 L CA 0.292 54.792 54.840 -0.566 0.000 0.885 1302 L CB -0.059 41.169 42.059 -1.385 0.000 1.131 1302 L HN 0.256 nan 8.230 nan 0.000 0.498 1303 L N 3.117 124.425 121.223 0.141 0.000 2.467 1303 L HA 0.081 4.397 4.340 -0.039 0.000 0.270 1303 L C 0.661 177.643 176.870 0.186 0.000 1.205 1303 L CA -0.049 54.898 54.840 0.180 0.000 0.828 1303 L CB 0.290 42.415 42.059 0.111 0.000 1.101 1303 L HN 0.633 nan 8.230 nan 0.000 0.479 1304 Q N 3.055 122.631 119.800 -0.374 0.000 2.271 1304 Q HA 0.165 4.482 4.340 -0.039 0.000 0.273 1304 Q C -2.232 173.627 176.000 -0.235 0.000 1.051 1304 Q CA -1.434 53.944 55.803 -0.709 0.000 0.901 1304 Q CB 0.834 28.860 28.738 -1.186 0.000 1.174 1304 Q HN 0.266 nan 8.270 nan 0.000 0.385 1305 P HA -0.057 nan 4.420 nan 0.000 0.269 1305 P C -0.081 177.086 177.300 -0.221 0.000 1.209 1305 P CA 0.025 62.979 63.100 -0.243 0.000 0.776 1305 P CB 0.726 32.206 31.700 -0.366 0.000 0.876 1306 E N 1.721 121.750 120.200 -0.285 0.000 2.147 1306 E HA -0.271 4.056 4.350 -0.039 0.000 0.199 1306 E C 0.520 177.024 176.600 -0.161 0.000 1.005 1306 E CA 1.598 57.837 56.400 -0.268 0.000 0.810 1306 E CB -0.278 29.186 29.700 -0.394 0.000 0.736 1306 E HN 0.457 nan 8.360 nan 0.000 0.460 1307 Y N -0.222 120.027 120.300 -0.085 0.000 2.546 1307 Y HA 0.105 4.630 4.550 -0.042 0.000 0.287 1307 Y C 0.865 176.740 175.900 -0.042 0.000 1.158 1307 Y CA -0.516 57.547 58.100 -0.061 0.000 1.307 1307 Y CB -0.605 37.809 38.460 -0.076 0.000 1.036 1307 Y HN 0.093 nan 8.280 nan 0.000 0.532 1308 C N 4.290 123.631 119.300 0.068 0.000 2.394 1308 C HA 0.412 4.848 4.460 -0.039 0.000 0.362 1308 C C -2.144 172.898 174.990 0.087 0.000 1.268 1308 C CA -2.409 56.646 59.018 0.062 0.000 1.828 1308 C CB -0.433 27.326 27.740 0.032 0.000 2.442 1308 C HN 0.114 nan 8.230 nan 0.000 0.549 1309 P HA 0.141 nan 4.420 nan 0.000 0.268 1309 P C 0.474 177.854 177.300 0.134 0.000 1.205 1309 P CA 0.282 63.474 63.100 0.154 0.000 0.771 1309 P CB 0.612 32.455 31.700 0.239 0.000 0.858 1310 D N 3.773 124.238 120.400 0.109 0.000 2.154 1310 D HA -0.188 4.429 4.640 -0.039 0.000 0.190 1310 D C -0.692 175.688 176.300 0.134 0.000 1.003 1310 D CA 2.102 56.175 54.000 0.122 0.000 0.849 1310 D CB -2.072 38.778 40.800 0.084 0.000 0.942 1310 D HN 0.422 nan 8.370 nan 0.000 0.446 1311 P HA -0.088 nan 4.420 nan 0.000 0.219 1311 P C 1.673 179.024 177.300 0.085 0.000 1.146 1311 P CA 0.614 63.765 63.100 0.086 0.000 0.808 1311 P CB 0.018 31.770 31.700 0.086 0.000 0.779 1312 L N -2.151 119.140 121.223 0.114 0.000 2.179 1312 L HA -0.040 4.277 4.340 -0.039 0.000 0.208 1312 L C 2.392 179.311 176.870 0.080 0.000 1.096 1312 L CA 1.379 56.274 54.840 0.091 0.000 0.779 1312 L CB -1.263 40.856 42.059 0.101 0.000 0.922 1312 L HN -0.119 nan 8.230 nan 0.000 0.443 1313 Y N 0.409 120.705 120.300 -0.007 0.000 2.181 1313 Y HA -0.286 4.239 4.550 -0.041 0.000 0.288 1313 Y C 2.384 178.245 175.900 -0.066 0.000 1.146 1313 Y CA 1.980 60.066 58.100 -0.022 0.000 1.164 1313 Y CB 0.153 38.630 38.460 0.029 0.000 0.982 1313 Y HN 0.319 nan 8.280 nan 0.000 0.515 1314 E N -0.765 119.402 120.200 -0.055 0.000 2.085 1314 E HA -0.227 4.100 4.350 -0.039 0.000 0.194 1314 E C 2.189 178.674 176.600 -0.192 0.000 0.994 1314 E CA 1.608 57.932 56.400 -0.126 0.000 0.801 1314 E CB -0.265 29.417 29.700 -0.029 0.000 0.743 1314 E HN 0.323 nan 8.360 nan 0.000 0.453 1315 V N 1.328 121.156 119.914 -0.144 0.000 2.295 1315 V HA -0.305 3.791 4.120 -0.039 0.000 0.246 1315 V C 2.326 178.211 176.094 -0.348 0.000 1.049 1315 V CA 1.777 63.979 62.300 -0.163 0.000 1.024 1315 V CB -0.413 31.375 31.823 -0.060 0.000 0.648 1315 V HN 0.318 nan 8.190 nan 0.000 0.447 1316 M N -0.797 118.508 119.600 -0.493 0.000 2.080 1316 M HA -0.209 4.248 4.480 -0.039 0.000 0.260 1316 M C 2.181 177.723 176.300 -1.263 0.000 1.068 1316 M CA 1.983 56.691 55.300 -0.987 0.000 1.109 1316 M CB -0.521 31.525 32.600 -0.924 0.000 1.342 1316 M HN 0.279 nan 8.290 nan 0.000 0.405 1317 L N -0.317 120.407 121.223 -0.832 0.000 2.083 1317 L HA -0.229 4.088 4.340 -0.039 0.000 0.209 1317 L C 2.420 179.086 176.870 -0.340 0.000 1.083 1317 L CA 1.315 55.851 54.840 -0.507 0.000 0.752 1317 L CB -0.666 41.159 42.059 -0.390 0.000 0.899 1317 L HN 0.299 nan 8.230 nan 0.000 0.433 1318 K N -0.587 119.631 120.400 -0.304 0.000 2.057 1318 K HA -0.144 4.153 4.320 -0.039 0.000 0.206 1318 K C 2.210 178.710 176.600 -0.168 0.000 1.050 1318 K CA 1.511 57.709 56.287 -0.148 0.000 0.935 1318 K CB -0.325 32.107 32.500 -0.114 0.000 0.715 1318 K HN 0.353 nan 8.250 nan 0.000 0.439 1319 C N -0.032 119.049 119.300 -0.364 0.000 2.403 1319 C HA -0.123 4.313 4.460 -0.039 0.000 0.279 1319 C C 1.489 176.293 174.990 -0.309 0.000 1.269 1319 C CA 0.292 59.089 59.018 -0.368 0.000 1.774 1319 C CB -0.813 26.596 27.740 -0.552 0.000 1.993 1319 C HN 0.572 nan 8.230 nan 0.000 0.496 1320 W N 0.387 121.429 121.300 -0.429 0.000 3.269 1320 W HA 0.283 4.912 4.660 -0.052 0.000 0.413 1320 W C 0.945 177.310 176.519 -0.255 0.000 1.057 1320 W CA -0.754 56.084 57.345 -0.846 0.000 1.953 1320 W CB -1.682 27.102 29.460 -1.127 0.000 1.053 1320 W HN 0.452 nan 8.180 nan 0.000 0.753 1321 H N 3.401 122.511 119.070 0.066 0.000 2.928 1321 H HA -0.006 4.526 4.556 -0.041 0.000 0.338 1321 H C -1.175 174.299 175.328 0.243 0.000 1.047 1321 H CA -0.580 55.533 56.048 0.108 0.000 1.435 1321 H CB 1.455 31.251 29.762 0.056 0.000 1.428 1321 H HN -0.116 nan 8.280 nan 0.000 0.590 1322 P HA -0.096 nan 4.420 nan 0.000 0.220 1322 P C -0.038 177.463 177.300 0.335 0.000 1.148 1322 P CA 1.208 64.505 63.100 0.329 0.000 0.803 1322 P CB 0.428 32.222 31.700 0.157 0.000 0.782 1323 K N 0.090 120.778 120.400 0.479 0.000 2.281 1323 K HA 0.399 4.695 4.320 -0.039 0.000 0.272 1323 K C 1.218 177.870 176.600 0.087 0.000 1.048 1323 K CA -0.337 56.071 56.287 0.201 0.000 0.898 1323 K CB 1.295 33.860 32.500 0.109 0.000 1.128 1323 K HN -0.137 nan 8.250 nan 0.000 0.460 1324 A N 3.768 126.639 122.820 0.086 0.000 1.927 1324 A HA -0.233 4.064 4.320 -0.039 0.000 0.220 1324 A C 1.617 179.196 177.584 -0.008 0.000 1.185 1324 A CA 1.736 53.813 52.037 0.067 0.000 0.639 1324 A CB -0.217 18.815 19.000 0.053 0.000 0.820 1324 A HN 0.756 nan 8.150 nan 0.000 0.451 1325 E N -0.514 119.660 120.200 -0.043 0.000 2.268 1325 E HA -0.130 4.196 4.350 -0.039 0.000 0.195 1325 E C 1.418 177.939 176.600 -0.132 0.000 0.995 1325 E CA 0.850 57.208 56.400 -0.069 0.000 0.836 1325 E CB -0.503 29.165 29.700 -0.054 0.000 0.763 1325 E HN 0.576 nan 8.360 nan 0.000 0.491 1326 M N 0.711 120.160 119.600 -0.253 0.000 2.502 1326 M HA 0.153 4.609 4.480 -0.039 0.000 0.243 1326 M C 0.743 176.862 176.300 -0.301 0.000 1.130 1326 M CA 0.105 55.165 55.300 -0.401 0.000 1.055 1326 M CB -0.291 31.724 32.600 -0.976 0.000 1.457 1326 M HN -0.077 nan 8.290 nan 0.000 0.488 1327 R N 1.638 122.037 120.500 -0.169 0.000 2.694 1327 R HA 0.160 4.476 4.340 -0.039 0.000 0.268 1327 R C -2.096 174.142 176.300 -0.103 0.000 1.061 1327 R CA -1.277 54.780 56.100 -0.072 0.000 1.133 1327 R CB -0.250 30.049 30.300 -0.003 0.000 1.020 1327 R HN 0.022 nan 8.270 nan 0.000 0.475 1328 P HA -0.024 nan 4.420 nan 0.000 0.270 1328 P C -0.543 176.644 177.300 -0.188 0.000 1.223 1328 P CA -0.234 62.791 63.100 -0.125 0.000 0.785 1328 P CB 0.698 32.330 31.700 -0.114 0.000 0.923 1329 S N 0.614 116.223 115.700 -0.151 0.000 2.593 1329 S HA 0.175 4.622 4.470 -0.039 0.000 0.269 1329 S C 0.993 175.468 174.600 -0.209 0.000 1.334 1329 S CA -0.262 57.840 58.200 -0.164 0.000 1.015 1329 S CB -0.162 63.001 63.200 -0.061 0.000 0.912 1329 S HN 0.209 nan 8.310 nan 0.000 0.541 1330 F N 1.179 121.070 119.950 -0.098 0.000 2.216 1330 F HA -0.047 4.465 4.527 -0.024 0.000 0.300 1330 F C 3.004 178.728 175.800 -0.128 0.000 1.085 1330 F CA 1.478 59.378 58.000 -0.166 0.000 1.326 1330 F CB -0.918 37.961 39.000 -0.202 0.000 1.027 1330 F HN 0.736 nan 8.300 nan 0.000 0.497 1331 S N -0.147 115.595 115.700 0.071 0.000 2.359 1331 S HA -0.221 4.226 4.470 -0.039 0.000 0.224 1331 S C 2.029 176.636 174.600 0.012 0.000 1.035 1331 S CA 1.737 59.956 58.200 0.031 0.000 1.018 1331 S CB -0.275 62.936 63.200 0.018 0.000 0.876 1331 S HN 0.482 nan 8.310 nan 0.000 0.448 1332 E N 0.487 120.681 120.200 -0.010 0.000 2.077 1332 E HA -0.113 4.214 4.350 -0.039 0.000 0.193 1332 E C 2.147 178.744 176.600 -0.005 0.000 0.989 1332 E CA 1.368 57.759 56.400 -0.014 0.000 0.800 1332 E CB -0.261 29.418 29.700 -0.034 0.000 0.746 1332 E HN 0.478 nan 8.360 nan 0.000 0.452 1333 L N 0.370 121.580 121.223 -0.021 0.000 2.046 1333 L HA -0.186 4.130 4.340 -0.039 0.000 0.208 1333 L C 2.430 179.327 176.870 0.044 0.000 1.077 1333 L CA 0.686 55.533 54.840 0.012 0.000 0.747 1333 L CB -0.313 41.719 42.059 -0.046 0.000 0.896 1333 L HN 0.066 nan 8.230 nan 0.000 0.432 1334 V N -1.145 118.786 119.914 0.028 0.000 2.343 1334 V HA -0.318 3.779 4.120 -0.039 0.000 0.247 1334 V C 2.680 178.800 176.094 0.044 0.000 1.051 1334 V CA 2.031 64.351 62.300 0.033 0.000 1.036 1334 V CB -0.399 31.436 31.823 0.019 0.000 0.654 1334 V HN 0.469 nan 8.190 nan 0.000 0.451 1335 S N -0.356 115.367 115.700 0.038 0.000 2.359 1335 S HA -0.279 4.168 4.470 -0.039 0.000 0.224 1335 S C 2.187 176.821 174.600 0.056 0.000 1.035 1335 S CA 2.208 60.434 58.200 0.042 0.000 1.018 1335 S CB -0.232 62.986 63.200 0.030 0.000 0.876 1335 S HN 0.541 nan 8.310 nan 0.000 0.448 1336 R N 0.697 121.230 120.500 0.054 0.000 2.066 1336 R HA 0.142 4.458 4.340 -0.039 0.000 0.232 1336 R C 2.211 178.569 176.300 0.096 0.000 1.131 1336 R CA 1.837 57.976 56.100 0.064 0.000 0.955 1336 R CB -0.619 29.711 30.300 0.050 0.000 0.851 1336 R HN 0.538 nan 8.270 nan 0.000 0.432 1337 I N 0.181 120.817 120.570 0.110 0.000 2.315 1337 I HA -0.232 3.915 4.170 -0.039 0.000 0.248 1337 I C 1.985 178.201 176.117 0.165 0.000 1.117 1337 I CA 1.254 62.639 61.300 0.143 0.000 1.404 1337 I CB -0.226 37.871 38.000 0.161 0.000 1.071 1337 I HN 0.186 nan 8.210 nan 0.000 0.419 1338 S N 0.788 116.565 115.700 0.128 0.000 2.382 1338 S HA -0.155 4.292 4.470 -0.039 0.000 0.228 1338 S C 2.240 176.959 174.600 0.198 0.000 1.027 1338 S CA 1.367 59.657 58.200 0.150 0.000 0.991 1338 S CB -0.265 62.991 63.200 0.093 0.000 0.823 1338 S HN 0.555 nan 8.310 nan 0.000 0.469 1339 A N 1.217 124.124 122.820 0.146 0.000 1.930 1339 A HA 0.031 4.327 4.320 -0.039 0.000 0.217 1339 A C 2.043 179.720 177.584 0.154 0.000 1.175 1339 A CA 0.952 53.065 52.037 0.126 0.000 0.627 1339 A CB -0.586 18.465 19.000 0.086 0.000 0.815 1339 A HN 0.472 nan 8.150 nan 0.000 0.443 1340 I N -1.861 118.821 120.570 0.187 0.000 2.179 1340 I HA -0.224 3.923 4.170 -0.039 0.000 0.242 1340 I C 2.333 178.668 176.117 0.364 0.000 1.088 1340 I CA 1.595 63.039 61.300 0.240 0.000 1.357 1340 I CB -0.385 37.755 38.000 0.233 0.000 1.051 1340 I HN 0.431 nan 8.210 nan 0.000 0.409 1341 F N 2.116 122.180 119.950 0.190 0.000 2.120 1341 F HA -0.332 4.176 4.527 -0.032 0.000 0.300 1341 F C 2.855 178.797 175.800 0.237 0.000 1.095 1341 F CA 1.866 59.979 58.000 0.188 0.000 1.249 1341 F CB -0.459 38.587 39.000 0.076 0.000 0.995 1341 F HN 0.149 nan 8.300 nan 0.000 0.480 1342 S N -1.084 114.739 115.700 0.205 0.000 2.465 1342 S HA -0.209 4.237 4.470 -0.039 0.000 0.241 1342 S C 1.868 176.457 174.600 -0.019 0.000 1.000 1342 S CA 1.375 59.616 58.200 0.070 0.000 0.964 1342 S CB -1.555 61.712 63.200 0.111 0.000 0.763 1342 S HN 0.625 nan 8.310 nan 0.000 0.512 1343 T N -2.123 112.424 114.554 -0.011 0.000 3.088 1343 T HA 0.270 4.596 4.350 -0.039 0.000 0.259 1343 T C 0.149 174.641 174.700 -0.347 0.000 1.122 1343 T CA -0.284 61.712 62.100 -0.173 0.000 1.095 1343 T CB -0.642 68.086 68.868 -0.233 0.000 0.930 1343 T HN 0.287 nan 8.240 nan 0.000 0.508 1344 F N 1.760 121.569 119.950 -0.235 0.000 2.404 1344 F HA 0.516 5.023 4.527 -0.033 0.000 0.345 1344 F C 0.450 176.092 175.800 -0.263 0.000 1.110 1344 F CA -1.813 56.034 58.000 -0.255 0.000 1.130 1344 F CB 0.772 39.579 39.000 -0.322 0.000 1.129 1344 F HN -0.007 nan 8.300 nan 0.000 0.500 1345 I N 2.460 122.998 120.570 -0.053 0.000 2.428 1345 I HA 0.715 4.861 4.170 -0.039 0.000 0.296 1345 I C 0.463 176.554 176.117 -0.044 0.000 0.985 1345 I CA -0.445 60.815 61.300 -0.066 0.000 1.260 1345 I CB 0.755 38.709 38.000 -0.076 0.000 1.389 1345 I HN 0.683 nan 8.210 nan 0.000 0.484 1346 G N 5.439 114.208 108.800 -0.052 0.000 2.406 1346 G HA2 0.072 4.008 3.960 -0.039 0.000 0.680 1346 G HA3 0.072 4.008 3.960 -0.039 0.000 0.680 1346 G C -1.352 173.524 174.900 -0.040 0.000 1.338 1346 G CA -0.859 44.213 45.100 -0.046 0.000 0.941 1346 G HN 0.493 nan 8.290 nan 0.000 0.633 1347 E N -0.547 119.636 120.200 -0.027 0.000 2.314 1347 E HA 0.650 4.977 4.350 -0.039 0.000 0.272 1347 E C 0.104 176.709 176.600 0.008 0.000 0.884 1347 E CA -0.648 55.747 56.400 -0.008 0.000 0.753 1347 E CB 2.555 32.257 29.700 0.004 0.000 1.213 1347 E HN 0.739 nan 8.360 nan 0.000 0.432 1348 H N 1.074 120.042 119.070 -0.169 0.000 3.358 1348 H HA 0.222 4.754 4.556 -0.040 0.000 0.125 1348 H C -0.466 174.670 175.328 -0.320 0.000 1.179 1348 H CA 0.562 56.424 56.048 -0.310 0.000 1.078 1348 H CB 0.080 29.554 29.762 -0.480 0.000 0.957 1348 H HN 0.377 nan 8.280 nan 0.000 0.237 1349 Y N 0.000 120.021 120.300 -0.465 0.000 2.660 1349 Y HA 0.000 4.530 4.550 -0.033 0.000 0.201 1349 Y CA 0.000 57.718 58.100 -0.637 0.000 1.940 1349 Y CB 0.000 37.996 38.460 -0.774 0.000 1.050 1349 Y HN 0.000 nan 8.280 nan 0.000 0.758