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 3opu_1_F DATA FIRST_RESID 1152 DATA SEQUENCE YIKPTKVNKN ENGVVIDDKT VLAGSTNYYE LTWDLDQYKN DRSSADTIQK DATA SEQUENCE GFYYVDDYPE EALELRQDLV KITDANGNEV TGVSVDNYTS LEAAPQEIRD DATA SEQUENCE VLSKAGIRPK GAFQIFRADN PREFYDTYVK TGIDLKIVSP MVVKKQMGQT DATA SEQUENCE GGSYENQAYQ IDFGNGYASN IVINNVPKIN PKKDVTLTLD PADTNNVDGQ DATA SEQUENCE TIPLNTVFNY RLIGGIIPAN HSEELFEYNF YDDYDQTGDH YTGQYKVFAK DATA SEQUENCE VDIILKNGVI IKSGTELTQY TTAEVDTTKG AITIKFKEAF LRSVSIDSAF DATA SEQUENCE QAESYIQMKR IAVGTFENTY INTVNGVTYS SNTVKTTT 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 1152 Y HA 0.000 nan 4.550 nan 0.000 0.201 1152 Y C 0.000 175.867 175.900 -0.055 0.000 1.272 1152 Y CA 0.000 58.081 58.100 -0.031 0.000 1.940 1152 Y CB 0.000 38.454 38.460 -0.010 0.000 1.050 1153 I N 6.965 127.358 120.570 -0.295 0.000 2.496 1153 I HA 0.333 4.496 4.170 -0.011 0.000 0.285 1153 I C -0.989 174.787 176.117 -0.568 0.000 1.080 1153 I CA 0.177 61.231 61.300 -0.410 0.000 1.404 1153 I CB 0.439 38.157 38.000 -0.471 0.000 1.403 1153 I HN 0.655 nan 8.210 nan 0.000 0.539 1154 K N 9.235 129.395 120.400 -0.400 0.000 2.618 1154 K HA 0.374 4.687 4.320 -0.011 0.000 0.322 1154 K C -2.800 173.721 176.600 -0.131 0.000 1.267 1154 K CA -1.276 54.808 56.287 -0.339 0.000 1.083 1154 K CB 0.984 33.162 32.500 -0.538 0.000 1.386 1154 K HN 0.169 nan 8.250 nan 0.000 0.509 1155 P HA 0.079 nan 4.420 nan 0.000 0.265 1155 P C -0.591 176.715 177.300 0.010 0.000 1.193 1155 P CA 0.058 63.184 63.100 0.043 0.000 0.765 1155 P CB 0.773 32.483 31.700 0.016 0.000 0.823 1156 T N -0.383 114.201 114.554 0.049 0.000 2.907 1156 T HA 0.638 4.981 4.350 -0.011 0.000 0.292 1156 T C -0.780 173.946 174.700 0.043 0.000 1.043 1156 T CA -0.968 61.146 62.100 0.024 0.000 1.003 1156 T CB 2.214 71.093 68.868 0.019 0.000 1.084 1156 T HN 0.464 nan 8.240 nan 0.000 0.483 1157 K N 1.409 121.822 120.400 0.021 0.000 2.541 1157 K HA 0.699 5.013 4.320 -0.011 0.000 0.250 1157 K C -1.925 174.707 176.600 0.054 0.000 0.950 1157 K CA -0.841 55.464 56.287 0.030 0.000 0.805 1157 K CB 2.319 34.804 32.500 -0.024 0.000 1.166 1157 K HN 0.581 nan 8.250 nan 0.000 0.430 1158 V N 3.145 123.119 119.914 0.099 0.000 2.823 1158 V HA 0.495 4.608 4.120 -0.011 0.000 0.312 1158 V C -1.472 174.757 176.094 0.225 0.000 1.072 1158 V CA -0.854 61.521 62.300 0.126 0.000 0.937 1158 V CB 2.124 33.998 31.823 0.086 0.000 1.013 1158 V HN 0.940 nan 8.190 nan 0.000 0.430 1159 N N 4.206 123.044 118.700 0.230 0.000 2.408 1159 N HA 0.502 5.235 4.740 -0.011 0.000 0.280 1159 N C -0.993 174.597 175.510 0.134 0.000 1.002 1159 N CA -0.257 52.942 53.050 0.249 0.000 0.907 1159 N CB 1.290 39.938 38.487 0.269 0.000 1.161 1159 N HN 0.688 nan 8.380 nan 0.000 0.488 1160 K N 1.323 121.797 120.400 0.123 0.000 2.328 1160 K HA 0.367 4.680 4.320 -0.011 0.000 0.246 1160 K C -0.186 176.508 176.600 0.155 0.000 0.955 1160 K CA -0.976 55.373 56.287 0.103 0.000 0.817 1160 K CB 1.186 33.731 32.500 0.074 0.000 1.208 1160 K HN 0.693 nan 8.250 nan 0.000 0.432 1161 N N 0.105 118.868 118.700 0.106 0.000 2.322 1161 N HA -0.053 4.680 4.740 -0.011 0.000 0.270 1161 N C 0.744 176.228 175.510 -0.043 0.000 1.286 1161 N CA -0.126 53.009 53.050 0.141 0.000 0.948 1161 N CB 0.347 38.886 38.487 0.086 0.000 1.164 1161 N HN 0.711 nan 8.380 nan 0.000 0.551 1162 E N -1.032 119.109 120.200 -0.098 0.000 2.171 1162 E HA -0.216 4.127 4.350 -0.011 0.000 0.197 1162 E C 0.137 176.538 176.600 -0.332 0.000 0.997 1162 E CA 1.133 57.266 56.400 -0.445 0.000 0.810 1162 E CB -0.076 29.556 29.700 -0.113 0.000 0.738 1162 E HN 0.483 nan 8.360 nan 0.000 0.467 1163 N N -0.739 117.865 118.700 -0.160 0.000 2.313 1163 N HA 0.055 4.789 4.740 -0.011 0.000 0.207 1163 N C 0.584 176.036 175.510 -0.097 0.000 1.141 1163 N CA 0.832 53.813 53.050 -0.115 0.000 0.830 1163 N CB 1.071 39.520 38.487 -0.065 0.000 1.008 1163 N HN 0.308 nan 8.380 nan 0.000 0.481 1164 G N -0.020 108.712 108.800 -0.113 0.000 2.168 1164 G HA2 -0.287 3.667 3.960 -0.011 0.000 0.263 1164 G HA3 -0.287 3.667 3.960 -0.011 0.000 0.263 1164 G C 0.134 175.016 174.900 -0.029 0.000 0.977 1164 G CA 0.290 45.350 45.100 -0.068 0.000 0.659 1164 G HN 0.215 nan 8.290 nan 0.000 0.533 1165 V N 0.959 120.860 119.914 -0.022 0.000 2.614 1165 V HA 0.358 4.471 4.120 -0.011 0.000 0.291 1165 V C 1.371 177.472 176.094 0.013 0.000 1.049 1165 V CA -0.476 61.820 62.300 -0.007 0.000 1.038 1165 V CB 1.686 33.503 31.823 -0.010 0.000 0.980 1165 V HN 0.254 nan 8.190 nan 0.000 0.481 1166 V N 6.583 126.506 119.914 0.016 0.000 2.572 1166 V HA 0.110 4.223 4.120 -0.011 0.000 0.291 1166 V C 0.827 176.939 176.094 0.030 0.000 1.039 1166 V CA 0.515 62.834 62.300 0.031 0.000 1.055 1166 V CB 0.765 32.604 31.823 0.027 0.000 0.969 1166 V HN 0.869 nan 8.190 nan 0.000 0.482 1167 I N -0.599 120.000 120.570 0.047 0.000 3.966 1167 I HA 0.441 4.604 4.170 -0.011 0.000 0.324 1167 I C -0.129 176.016 176.117 0.046 0.000 1.517 1167 I CA -0.601 60.724 61.300 0.041 0.000 1.117 1167 I CB 0.451 38.481 38.000 0.050 0.000 1.190 1167 I HN 0.334 nan 8.210 nan 0.000 0.466 1168 D N 3.120 123.552 120.400 0.054 0.000 2.571 1168 D HA -0.033 4.600 4.640 -0.011 0.000 0.231 1168 D C 0.708 177.019 176.300 0.018 0.000 1.133 1168 D CA 1.143 55.172 54.000 0.049 0.000 0.862 1168 D CB 0.319 41.146 40.800 0.045 0.000 1.179 1168 D HN 0.351 nan 8.370 nan 0.000 0.474 1169 D N -0.326 120.072 120.400 -0.003 0.000 2.978 1169 D HA -0.192 4.441 4.640 -0.011 0.000 0.205 1169 D C -0.044 176.246 176.300 -0.018 0.000 1.093 1169 D CA 1.005 54.992 54.000 -0.020 0.000 1.006 1169 D CB -0.566 40.228 40.800 -0.010 0.000 1.116 1169 D HN 0.484 nan 8.370 nan 0.000 0.419 1170 K N 0.490 120.887 120.400 -0.006 0.000 2.126 1170 K HA 0.296 4.609 4.320 -0.011 0.000 0.257 1170 K C 0.499 177.107 176.600 0.013 0.000 1.007 1170 K CA -0.057 56.233 56.287 0.005 0.000 0.928 1170 K CB 0.918 33.426 32.500 0.015 0.000 1.013 1170 K HN -0.088 nan 8.250 nan 0.000 0.473 1171 T N 1.098 115.676 114.554 0.040 0.000 2.851 1171 T HA 0.240 4.584 4.350 -0.011 0.000 0.298 1171 T C -0.707 174.054 174.700 0.102 0.000 0.977 1171 T CA -0.629 61.510 62.100 0.064 0.000 1.126 1171 T CB 0.210 69.125 68.868 0.078 0.000 0.916 1171 T HN 0.171 nan 8.240 nan 0.000 0.529 1172 V N 7.324 127.307 119.914 0.115 0.000 2.487 1172 V HA 0.407 4.520 4.120 -0.011 0.000 0.298 1172 V C 0.231 176.407 176.094 0.136 0.000 1.028 1172 V CA -0.952 61.433 62.300 0.141 0.000 0.860 1172 V CB 1.634 33.575 31.823 0.195 0.000 0.991 1172 V HN 0.825 nan 8.190 nan 0.000 0.427 1173 L N 3.878 125.160 121.223 0.100 0.000 2.426 1173 L HA 0.447 4.780 4.340 -0.011 0.000 0.271 1173 L C 1.170 178.092 176.870 0.086 0.000 1.169 1173 L CA -0.046 54.840 54.840 0.077 0.000 0.836 1173 L CB 0.805 42.883 42.059 0.032 0.000 1.112 1173 L HN 0.842 nan 8.230 nan 0.000 0.465 1174 A N 2.639 125.524 122.820 0.107 0.000 2.587 1174 A HA 0.318 4.632 4.320 -0.011 0.000 0.235 1174 A C 1.336 178.948 177.584 0.047 0.000 1.044 1174 A CA 0.757 52.844 52.037 0.083 0.000 0.754 1174 A CB -0.344 18.734 19.000 0.129 0.000 0.968 1174 A HN 1.181 nan 8.150 nan 0.000 0.509 1175 G N 1.497 110.300 108.800 0.005 0.000 2.253 1175 G HA2 -0.241 3.713 3.960 -0.011 0.000 0.251 1175 G HA3 -0.241 3.713 3.960 -0.011 0.000 0.251 1175 G C 0.682 175.594 174.900 0.021 0.000 0.998 1175 G CA 0.557 45.657 45.100 0.001 0.000 0.621 1175 G HN 1.314 nan 8.290 nan 0.000 0.524 1176 S N 0.877 116.596 115.700 0.032 0.000 2.585 1176 S HA 0.539 5.003 4.470 -0.011 0.000 0.273 1176 S C 0.487 175.067 174.600 -0.034 0.000 1.339 1176 S CA 0.587 58.814 58.200 0.044 0.000 1.028 1176 S CB 1.246 64.488 63.200 0.070 0.000 0.906 1176 S HN 0.448 nan 8.310 nan 0.000 0.528 1177 T N 3.658 118.173 114.554 -0.065 0.000 2.829 1177 T HA 0.286 4.629 4.350 -0.011 0.000 0.282 1177 T C -0.126 174.368 174.700 -0.343 0.000 0.990 1177 T CA -0.734 61.189 62.100 -0.295 0.000 1.028 1177 T CB 0.353 68.909 68.868 -0.519 0.000 0.951 1177 T HN 0.469 nan 8.240 nan 0.000 0.460 1178 N N 2.966 121.398 118.700 -0.447 0.000 2.462 1178 N HA 0.141 4.874 4.740 -0.011 0.000 0.242 1178 N C -0.998 174.141 175.510 -0.617 0.000 1.010 1178 N CA -0.195 52.550 53.050 -0.508 0.000 0.939 1178 N CB 0.920 38.931 38.487 -0.794 0.000 1.127 1178 N HN 0.591 nan 8.380 nan 0.000 0.509 1179 Y N 2.043 122.210 120.300 -0.223 0.000 2.735 1179 Y HA 0.143 4.682 4.550 -0.018 0.000 0.354 1179 Y C 0.053 175.934 175.900 -0.031 0.000 1.288 1179 Y CA -0.640 57.397 58.100 -0.106 0.000 1.836 1179 Y CB -0.609 37.823 38.460 -0.047 0.000 1.920 1179 Y HN 0.400 nan 8.280 nan 0.000 0.438 1180 Y N 1.244 121.606 120.300 0.103 0.000 2.721 1180 Y HA -0.043 4.501 4.550 -0.010 0.000 0.329 1180 Y C 0.808 176.753 175.900 0.074 0.000 1.211 1180 Y CA -0.393 57.762 58.100 0.091 0.000 1.512 1180 Y CB 0.240 38.751 38.460 0.085 0.000 1.249 1180 Y HN 0.400 nan 8.280 nan 0.000 0.549 1181 E N 4.721 125.063 120.200 0.237 0.000 2.145 1181 E HA 0.453 4.797 4.350 -0.011 0.000 0.270 1181 E C -1.608 175.033 176.600 0.068 0.000 0.906 1181 E CA -0.583 55.885 56.400 0.112 0.000 0.761 1181 E CB 0.586 30.336 29.700 0.083 0.000 1.116 1181 E HN 0.588 nan 8.360 nan 0.000 0.408 1182 L N 3.582 124.796 121.223 -0.014 0.000 2.313 1182 L HA 0.421 4.755 4.340 -0.011 0.000 0.283 1182 L C -0.056 176.744 176.870 -0.117 0.000 1.013 1182 L CA -0.844 53.967 54.840 -0.048 0.000 0.816 1182 L CB 1.810 43.792 42.059 -0.128 0.000 1.236 1182 L HN 0.440 nan 8.230 nan 0.000 0.419 1183 T N 1.573 116.128 114.554 0.001 0.000 2.799 1183 T HA 0.189 4.533 4.350 -0.011 0.000 0.286 1183 T C -0.722 174.065 174.700 0.145 0.000 0.973 1183 T CA -0.180 61.937 62.100 0.028 0.000 1.035 1183 T CB 0.909 69.808 68.868 0.052 0.000 0.932 1183 T HN 0.373 nan 8.240 nan 0.000 0.469 1184 W N 4.686 125.942 121.300 -0.073 0.000 2.317 1184 W HA 0.278 4.930 4.660 -0.013 0.000 0.327 1184 W C -0.496 176.077 176.519 0.090 0.000 1.036 1184 W CA -1.386 56.027 57.345 0.113 0.000 1.419 1184 W CB 0.153 29.617 29.460 0.007 0.000 1.253 1184 W HN 0.537 nan 8.180 nan 0.000 0.392 1185 D N 5.479 126.154 120.400 0.459 0.000 2.402 1185 D HA 0.103 4.737 4.640 -0.011 0.000 0.235 1185 D C 0.600 177.020 176.300 0.199 0.000 1.226 1185 D CA 0.191 54.312 54.000 0.202 0.000 0.918 1185 D CB 0.315 41.149 40.800 0.056 0.000 1.043 1185 D HN 0.479 nan 8.370 nan 0.000 0.506 1186 L N 2.326 123.632 121.223 0.138 0.000 2.693 1186 L HA 0.149 4.482 4.340 -0.011 0.000 0.235 1186 L C 1.374 178.268 176.870 0.040 0.000 1.127 1186 L CA -0.129 54.819 54.840 0.181 0.000 0.914 1186 L CB 0.218 42.340 42.059 0.105 0.000 1.193 1186 L HN 0.228 nan 8.230 nan 0.000 0.502 1187 D N -1.086 119.292 120.400 -0.037 0.000 2.350 1187 D HA -0.194 4.440 4.640 -0.011 0.000 0.216 1187 D C 1.751 177.999 176.300 -0.087 0.000 0.968 1187 D CA 0.648 54.621 54.000 -0.046 0.000 0.894 1187 D CB 0.018 40.797 40.800 -0.036 0.000 0.909 1187 D HN 0.133 nan 8.370 nan 0.000 0.520 1188 Q N -0.740 118.927 119.800 -0.222 0.000 2.451 1188 Q HA -0.013 4.320 4.340 -0.011 0.000 0.206 1188 Q C 0.484 176.373 176.000 -0.184 0.000 0.947 1188 Q CA 0.477 56.127 55.803 -0.256 0.000 0.937 1188 Q CB -0.109 28.392 28.738 -0.395 0.000 1.025 1188 Q HN 0.531 nan 8.270 nan 0.000 0.511 1189 Y N 0.344 120.681 120.300 0.062 0.000 2.457 1189 Y HA 0.200 4.743 4.550 -0.012 0.000 0.263 1189 Y C 0.395 176.316 175.900 0.034 0.000 1.164 1189 Y CA -0.657 57.501 58.100 0.097 0.000 1.274 1189 Y CB 0.200 38.760 38.460 0.167 0.000 1.097 1189 Y HN -0.156 nan 8.280 nan 0.000 0.523 1190 K N 1.874 122.341 120.400 0.113 0.000 2.530 1190 K HA -0.168 4.145 4.320 -0.011 0.000 0.280 1190 K C 0.798 177.428 176.600 0.050 0.000 1.004 1190 K CA 0.656 56.971 56.287 0.045 0.000 1.071 1190 K CB -0.032 32.477 32.500 0.014 0.000 0.876 1190 K HN 0.221 nan 8.250 nan 0.000 0.487 1191 N N 1.976 120.688 118.700 0.019 0.000 2.753 1191 N HA -0.221 4.513 4.740 -0.011 0.000 0.251 1191 N C -0.651 174.899 175.510 0.067 0.000 1.097 1191 N CA 1.070 54.136 53.050 0.027 0.000 0.786 1191 N CB -0.794 37.708 38.487 0.025 0.000 1.137 1191 N HN 0.777 nan 8.380 nan 0.000 0.566 1192 D N 0.038 120.501 120.400 0.106 0.000 2.449 1192 D HA 0.063 4.696 4.640 -0.011 0.000 0.236 1192 D C 0.631 177.054 176.300 0.204 0.000 1.149 1192 D CA 0.753 54.859 54.000 0.177 0.000 0.878 1192 D CB 0.484 41.453 40.800 0.281 0.000 1.198 1192 D HN 0.192 nan 8.370 nan 0.000 0.446 1193 R N 1.838 122.455 120.500 0.195 0.000 2.647 1193 R HA 0.211 4.544 4.340 -0.011 0.000 0.295 1193 R C -0.589 175.785 176.300 0.123 0.000 1.267 1193 R CA -0.465 55.743 56.100 0.179 0.000 1.386 1193 R CB 0.681 31.043 30.300 0.104 0.000 1.309 1193 R HN 0.298 nan 8.270 nan 0.000 0.692 1194 S N 0.600 116.373 115.700 0.122 0.000 2.600 1194 S HA 0.140 4.603 4.470 -0.011 0.000 0.265 1194 S C 0.790 175.359 174.600 -0.052 0.000 1.325 1194 S CA -0.546 57.643 58.200 -0.020 0.000 1.002 1194 S CB 1.236 64.356 63.200 -0.134 0.000 0.921 1194 S HN 0.469 nan 8.310 nan 0.000 0.554 1195 S N 0.764 116.427 115.700 -0.062 0.000 2.617 1195 S HA 0.452 4.916 4.470 -0.011 0.000 0.259 1195 S C 1.249 175.809 174.600 -0.066 0.000 1.301 1195 S CA -0.314 57.859 58.200 -0.045 0.000 0.984 1195 S CB 0.481 63.661 63.200 -0.032 0.000 0.954 1195 S HN 0.816 nan 8.310 nan 0.000 0.572 1196 A N 0.453 123.249 122.820 -0.040 0.000 2.015 1196 A HA -0.001 4.313 4.320 -0.011 0.000 0.219 1196 A C 1.653 179.223 177.584 -0.023 0.000 1.163 1196 A CA 1.455 53.471 52.037 -0.036 0.000 0.646 1196 A CB -1.053 17.940 19.000 -0.012 0.000 0.806 1196 A HN 0.844 nan 8.150 nan 0.000 0.448 1197 D N -0.490 119.900 120.400 -0.017 0.000 2.117 1197 D HA -0.076 4.557 4.640 -0.011 0.000 0.198 1197 D C 1.992 178.292 176.300 -0.001 0.000 0.982 1197 D CA 1.829 55.824 54.000 -0.007 0.000 0.828 1197 D CB -0.539 40.256 40.800 -0.008 0.000 0.967 1197 D HN 0.375 nan 8.370 nan 0.000 0.464 1198 T N 0.747 115.293 114.554 -0.013 0.000 2.737 1198 T HA -0.039 4.304 4.350 -0.011 0.000 0.265 1198 T C 2.178 176.955 174.700 0.129 0.000 1.038 1198 T CA 0.529 62.638 62.100 0.014 0.000 1.144 1198 T CB -0.240 68.570 68.868 -0.096 0.000 0.866 1198 T HN 0.144 nan 8.240 nan 0.000 0.434 1199 I N 1.151 121.752 120.570 0.051 0.000 2.264 1199 I HA -0.184 3.980 4.170 -0.011 0.000 0.248 1199 I C 2.648 178.785 176.117 0.034 0.000 1.111 1199 I CA 1.044 62.376 61.300 0.053 0.000 1.382 1199 I CB -0.363 37.524 38.000 -0.188 0.000 1.060 1199 I HN 0.147 nan 8.210 nan 0.000 0.418 1200 Q N 0.886 120.696 119.800 0.017 0.000 2.437 1200 Q HA -0.114 4.219 4.340 -0.011 0.000 0.210 1200 Q C 1.794 177.787 176.000 -0.011 0.000 0.972 1200 Q CA 0.973 56.784 55.803 0.014 0.000 0.903 1200 Q CB -0.141 28.608 28.738 0.018 0.000 0.967 1200 Q HN 0.512 nan 8.270 nan 0.000 0.486 1201 K N -0.220 120.159 120.400 -0.034 0.000 2.504 1201 K HA 0.073 4.387 4.320 -0.011 0.000 0.195 1201 K C 0.798 177.316 176.600 -0.137 0.000 1.036 1201 K CA 0.468 56.733 56.287 -0.037 0.000 0.984 1201 K CB 0.054 32.562 32.500 0.015 0.000 0.788 1201 K HN 0.270 nan 8.250 nan 0.000 0.488 1202 G N 0.898 109.482 108.800 -0.360 0.000 2.796 1202 G HA2 -0.267 3.686 3.960 -0.011 0.000 0.226 1202 G HA3 -0.267 3.686 3.960 -0.011 0.000 0.226 1202 G C -0.765 173.549 174.900 -0.975 0.000 1.381 1202 G CA -0.751 44.062 45.100 -0.479 0.000 0.867 1202 G HN 0.174 nan 8.290 nan 0.000 0.552 1203 F N -0.467 119.313 119.950 -0.283 0.000 2.617 1203 F HA 0.651 5.172 4.527 -0.011 0.000 0.325 1203 F C -0.242 175.482 175.800 -0.127 0.000 1.179 1203 F CA -0.677 57.269 58.000 -0.091 0.000 0.965 1203 F CB 1.910 40.723 39.000 -0.312 0.000 1.232 1203 F HN 0.542 nan 8.300 nan 0.000 0.461 1204 Y N 1.582 122.110 120.300 0.381 0.000 2.512 1204 Y HA 0.577 5.121 4.550 -0.011 0.000 0.348 1204 Y C -1.226 174.635 175.900 -0.066 0.000 0.990 1204 Y CA -1.420 56.805 58.100 0.209 0.000 1.033 1204 Y CB 2.368 40.887 38.460 0.099 0.000 1.259 1204 Y HN 0.551 nan 8.280 nan 0.000 0.461 1205 Y N 1.059 121.301 120.300 -0.096 0.000 2.462 1205 Y HA 0.759 5.303 4.550 -0.010 0.000 0.346 1205 Y C -1.396 174.611 175.900 0.178 0.000 0.976 1205 Y CA -1.006 56.909 58.100 -0.309 0.000 1.044 1205 Y CB 1.640 39.668 38.460 -0.720 0.000 1.230 1205 Y HN 0.393 nan 8.280 nan 0.000 0.455 1206 V N 4.753 124.691 119.914 0.040 0.000 2.656 1206 V HA 0.320 4.434 4.120 -0.011 0.000 0.307 1206 V C -1.263 175.029 176.094 0.330 0.000 1.051 1206 V CA -0.922 61.537 62.300 0.265 0.000 0.893 1206 V CB 1.894 33.784 31.823 0.113 0.000 0.999 1206 V HN 0.728 nan 8.190 nan 0.000 0.426 1207 D N 2.886 123.565 120.400 0.465 0.000 2.471 1207 D HA 0.172 4.805 4.640 -0.011 0.000 0.245 1207 D C -1.186 175.363 176.300 0.415 0.000 1.116 1207 D CA -0.291 53.947 54.000 0.396 0.000 0.853 1207 D CB 1.807 42.866 40.800 0.430 0.000 1.123 1207 D HN 0.576 nan 8.370 nan 0.000 0.540 1208 D N 4.173 124.761 120.400 0.315 0.000 2.435 1208 D HA 0.045 4.678 4.640 -0.011 0.000 0.230 1208 D C -0.522 175.901 176.300 0.205 0.000 1.215 1208 D CA -0.228 53.924 54.000 0.253 0.000 0.947 1208 D CB -0.377 40.554 40.800 0.219 0.000 1.048 1208 D HN 0.368 nan 8.370 nan 0.000 0.512 1209 Y N 1.406 121.793 120.300 0.145 0.000 2.376 1209 Y HA 0.693 5.238 4.550 -0.007 0.000 0.325 1209 Y C -2.453 173.512 175.900 0.108 0.000 1.199 1209 Y CA -3.073 55.093 58.100 0.110 0.000 1.206 1209 Y CB 0.672 39.206 38.460 0.123 0.000 1.229 1209 Y HN 0.097 nan 8.280 nan 0.000 0.480 1210 P HA 0.061 nan 4.420 nan 0.000 0.256 1210 P C 0.146 177.487 177.300 0.068 0.000 1.689 1210 P CA -0.145 63.008 63.100 0.089 0.000 1.124 1210 P CB 0.715 32.526 31.700 0.185 0.000 1.766 1211 E N 3.172 123.316 120.200 -0.094 0.000 2.409 1211 E HA -0.189 4.155 4.350 -0.011 0.000 0.198 1211 E C 0.539 177.157 176.600 0.029 0.000 1.024 1211 E CA 1.207 57.604 56.400 -0.005 0.000 0.861 1211 E CB -0.326 29.281 29.700 -0.155 0.000 0.788 1211 E HN 0.431 nan 8.360 nan 0.000 0.521 1212 E N 0.243 120.451 120.200 0.012 0.000 2.427 1212 E HA 0.062 4.405 4.350 -0.011 0.000 0.196 1212 E C 1.381 177.990 176.600 0.015 0.000 1.028 1212 E CA 0.862 57.272 56.400 0.016 0.000 0.864 1212 E CB 0.328 30.041 29.700 0.021 0.000 0.813 1212 E HN 0.452 nan 8.360 nan 0.000 0.514 1213 A N 0.309 123.132 122.820 0.004 0.000 2.074 1213 A HA 0.275 4.589 4.320 -0.011 0.000 0.200 1213 A C 0.895 178.392 177.584 -0.145 0.000 1.335 1213 A CA -0.011 51.986 52.037 -0.067 0.000 0.922 1213 A CB 0.567 19.510 19.000 -0.095 0.000 0.972 1213 A HN 0.014 nan 8.150 nan 0.000 0.475 1214 L N -0.109 121.070 121.223 -0.074 0.000 2.354 1214 L HA 0.596 4.930 4.340 -0.011 0.000 0.264 1214 L C -0.866 176.010 176.870 0.010 0.000 1.008 1214 L CA -0.700 54.089 54.840 -0.085 0.000 0.819 1214 L CB 2.110 44.116 42.059 -0.088 0.000 1.339 1214 L HN 0.132 nan 8.230 nan 0.000 0.420 1215 E N 1.368 121.534 120.200 -0.055 0.000 2.212 1215 E HA 0.511 4.854 4.350 -0.011 0.000 0.268 1215 E C -1.226 175.292 176.600 -0.136 0.000 0.902 1215 E CA -0.754 55.612 56.400 -0.057 0.000 0.779 1215 E CB 2.506 32.174 29.700 -0.054 0.000 1.172 1215 E HN 0.362 nan 8.360 nan 0.000 0.409 1216 L N 2.804 123.912 121.223 -0.192 0.000 2.453 1216 L HA 0.206 4.539 4.340 -0.011 0.000 0.272 1216 L C 0.573 177.353 176.870 -0.150 0.000 1.182 1216 L CA -0.035 54.664 54.840 -0.235 0.000 0.858 1216 L CB 0.180 42.056 42.059 -0.305 0.000 1.120 1216 L HN 0.275 nan 8.230 nan 0.000 0.474 1217 R N 3.688 124.106 120.500 -0.138 0.000 2.790 1217 R HA 0.067 4.400 4.340 -0.011 0.000 0.274 1217 R C 0.971 177.225 176.300 -0.076 0.000 1.334 1217 R CA -0.248 55.793 56.100 -0.099 0.000 1.543 1217 R CB 0.848 31.087 30.300 -0.102 0.000 1.154 1217 R HN 0.637 nan 8.270 nan 0.000 0.601 1218 Q N 0.736 120.488 119.800 -0.081 0.000 2.436 1218 Q HA -0.115 4.218 4.340 -0.011 0.000 0.209 1218 Q C 0.220 176.200 176.000 -0.033 0.000 0.965 1218 Q CA 1.257 57.019 55.803 -0.068 0.000 0.910 1218 Q CB 0.291 28.967 28.738 -0.103 0.000 0.980 1218 Q HN 0.402 nan 8.270 nan 0.000 0.491 1219 D N 0.631 121.014 120.400 -0.029 0.000 2.355 1219 D HA -0.045 4.588 4.640 -0.011 0.000 0.218 1219 D C 1.504 177.809 176.300 0.009 0.000 1.004 1219 D CA 0.095 54.089 54.000 -0.011 0.000 0.880 1219 D CB -0.077 40.714 40.800 -0.016 0.000 0.911 1219 D HN 0.312 nan 8.370 nan 0.000 0.528 1220 L N 0.857 122.088 121.223 0.014 0.000 2.667 1220 L HA 0.187 4.520 4.340 -0.011 0.000 0.232 1220 L C 0.471 177.380 176.870 0.064 0.000 1.138 1220 L CA -0.265 54.600 54.840 0.042 0.000 0.921 1220 L CB 0.728 42.816 42.059 0.048 0.000 1.180 1220 L HN -0.186 nan 8.230 nan 0.000 0.487 1221 V N 1.644 121.598 119.914 0.067 0.000 2.599 1221 V HA -0.006 4.107 4.120 -0.011 0.000 0.300 1221 V C 0.192 176.344 176.094 0.097 0.000 1.034 1221 V CA 0.544 62.911 62.300 0.111 0.000 1.115 1221 V CB 0.788 32.708 31.823 0.162 0.000 0.934 1221 V HN 0.302 nan 8.190 nan 0.000 0.485 1222 K N 5.400 125.850 120.400 0.084 0.000 2.422 1222 K HA 0.693 5.007 4.320 -0.011 0.000 0.251 1222 K C -1.287 175.323 176.600 0.018 0.000 0.933 1222 K CA -0.610 55.708 56.287 0.052 0.000 0.798 1222 K CB 2.561 35.082 32.500 0.035 0.000 1.238 1222 K HN 0.475 nan 8.250 nan 0.000 0.428 1223 I N 2.350 122.927 120.570 0.011 0.000 2.439 1223 I HA 0.262 4.425 4.170 -0.011 0.000 0.285 1223 I C -0.378 175.712 176.117 -0.044 0.000 1.021 1223 I CA -0.620 60.660 61.300 -0.033 0.000 1.091 1223 I CB 1.927 39.928 38.000 0.002 0.000 1.242 1223 I HN 0.660 nan 8.210 nan 0.000 0.439 1224 T N 0.483 114.994 114.554 -0.072 0.000 2.907 1224 T HA 0.555 4.898 4.350 -0.011 0.000 0.292 1224 T C -0.531 174.100 174.700 -0.116 0.000 1.043 1224 T CA -0.924 61.134 62.100 -0.069 0.000 1.003 1224 T CB 2.324 71.166 68.868 -0.042 0.000 1.084 1224 T HN 0.526 nan 8.240 nan 0.000 0.483 1225 D N 1.364 121.701 120.400 -0.107 0.000 2.478 1225 D HA 0.561 5.195 4.640 -0.011 0.000 0.274 1225 D C 1.489 177.750 176.300 -0.066 0.000 1.234 1225 D CA -0.361 53.564 54.000 -0.126 0.000 1.069 1225 D CB 0.163 40.941 40.800 -0.036 0.000 1.113 1225 D HN 0.640 nan 8.370 nan 0.000 0.571 1226 A N -0.192 122.598 122.820 -0.050 0.000 1.843 1226 A HA -0.115 4.198 4.320 -0.011 0.000 0.213 1226 A C 1.921 179.492 177.584 -0.021 0.000 1.202 1226 A CA 1.090 53.107 52.037 -0.033 0.000 0.607 1226 A CB -1.036 17.945 19.000 -0.031 0.000 0.847 1226 A HN 0.550 nan 8.150 nan 0.000 0.445 1227 N N 0.023 118.717 118.700 -0.011 0.000 2.027 1227 N HA -0.002 4.731 4.740 -0.011 0.000 0.200 1227 N C 0.976 176.481 175.510 -0.009 0.000 1.042 1227 N CA 1.985 55.029 53.050 -0.009 0.000 0.871 1227 N CB -0.704 37.779 38.487 -0.006 0.000 1.063 1227 N HN 1.036 nan 8.380 nan 0.000 0.438 1228 G N -0.563 108.235 108.800 -0.002 0.000 3.448 1228 G HA2 -0.109 3.845 3.960 -0.011 0.000 0.685 1228 G HA3 -0.109 3.845 3.960 -0.011 0.000 0.685 1228 G C -0.289 174.611 174.900 -0.000 0.000 1.151 1228 G CA -0.033 45.064 45.100 -0.006 0.000 1.023 1228 G HN 0.455 nan 8.290 nan 0.000 0.499 1229 N N 0.223 118.926 118.700 0.005 0.000 3.067 1229 N HA 0.098 4.831 4.740 -0.011 0.000 0.213 1229 N C 0.335 175.850 175.510 0.007 0.000 1.522 1229 N CA -0.448 52.602 53.050 -0.001 0.000 1.273 1229 N CB 0.431 38.913 38.487 -0.008 0.000 0.931 1229 N HN 0.642 nan 8.380 nan 0.000 0.799 1230 E N 2.151 122.356 120.200 0.008 0.000 3.655 1230 E HA -0.142 4.201 4.350 -0.011 0.000 0.282 1230 E C -1.059 175.566 176.600 0.040 0.000 0.811 1230 E CA 0.029 56.439 56.400 0.017 0.000 0.985 1230 E CB 0.335 30.048 29.700 0.023 0.000 0.926 1230 E HN 0.009 nan 8.360 nan 0.000 0.560 1231 V N 5.056 124.982 119.914 0.020 0.000 2.465 1231 V HA 0.229 4.342 4.120 -0.011 0.000 0.279 1231 V C 0.726 176.875 176.094 0.091 0.000 1.045 1231 V CA 0.052 62.383 62.300 0.051 0.000 0.938 1231 V CB 1.339 33.107 31.823 -0.092 0.000 0.986 1231 V HN 0.839 nan 8.190 nan 0.000 0.467 1232 T N 0.565 115.200 114.554 0.135 0.000 2.948 1232 T HA 0.678 5.021 4.350 -0.011 0.000 0.285 1232 T C 0.898 175.692 174.700 0.157 0.000 1.019 1232 T CA 0.069 62.239 62.100 0.117 0.000 1.013 1232 T CB 1.620 70.540 68.868 0.087 0.000 1.117 1232 T HN 1.764 nan 8.240 nan 0.000 0.533 1233 G N -0.478 108.399 108.800 0.128 0.000 2.143 1233 G HA2 -0.158 3.796 3.960 -0.011 0.000 0.249 1233 G HA3 -0.158 3.796 3.960 -0.011 0.000 0.249 1233 G C -0.089 174.898 174.900 0.145 0.000 0.981 1233 G CA -0.007 45.175 45.100 0.137 0.000 0.665 1233 G HN 1.170 nan 8.290 nan 0.000 0.528 1234 V N 1.411 121.415 119.914 0.149 0.000 2.378 1234 V HA 0.608 4.722 4.120 -0.011 0.000 0.288 1234 V C 0.509 176.694 176.094 0.152 0.000 1.016 1234 V CA -0.353 62.041 62.300 0.157 0.000 0.840 1234 V CB 1.649 33.605 31.823 0.221 0.000 0.994 1234 V HN 0.336 nan 8.190 nan 0.000 0.431 1235 S N 3.325 119.096 115.700 0.119 0.000 2.584 1235 S HA 0.516 4.979 4.470 -0.011 0.000 0.273 1235 S C -0.256 174.386 174.600 0.071 0.000 1.311 1235 S CA -0.353 57.896 58.200 0.082 0.000 1.034 1235 S CB 1.857 65.087 63.200 0.049 0.000 0.939 1235 S HN 0.641 nan 8.310 nan 0.000 0.513 1236 V N 3.355 123.255 119.914 -0.022 0.000 2.384 1236 V HA 0.454 4.567 4.120 -0.011 0.000 0.287 1236 V C -1.184 174.751 176.094 -0.266 0.000 1.020 1236 V CA -0.508 61.642 62.300 -0.249 0.000 0.850 1236 V CB 1.272 32.897 31.823 -0.330 0.000 0.987 1236 V HN 0.851 nan 8.190 nan 0.000 0.436 1237 D N 5.297 125.500 120.400 -0.327 0.000 2.362 1237 D HA 0.429 5.062 4.640 -0.011 0.000 0.247 1237 D C -1.067 174.855 176.300 -0.629 0.000 1.050 1237 D CA -0.414 53.328 54.000 -0.430 0.000 0.839 1237 D CB 1.851 42.417 40.800 -0.390 0.000 1.283 1237 D HN 0.634 nan 8.370 nan 0.000 0.477 1238 N N 2.000 120.301 118.700 -0.665 0.000 2.392 1238 N HA 0.268 5.002 4.740 -0.011 0.000 0.283 1238 N C -1.122 173.947 175.510 -0.735 0.000 1.003 1238 N CA -0.358 52.366 53.050 -0.544 0.000 0.892 1238 N CB 1.542 39.853 38.487 -0.294 0.000 1.193 1238 N HN 0.303 nan 8.380 nan 0.000 0.487 1239 Y N 0.055 120.090 120.300 -0.441 0.000 2.364 1239 Y HA 0.183 4.728 4.550 -0.009 0.000 0.340 1239 Y C 1.900 177.554 175.900 -0.410 0.000 0.975 1239 Y CA -0.834 56.947 58.100 -0.531 0.000 1.089 1239 Y CB 1.613 39.500 38.460 -0.954 0.000 1.192 1239 Y HN 0.510 nan 8.280 nan 0.000 0.454 1240 T N -2.166 112.347 114.554 -0.068 0.000 2.951 1240 T HA 0.078 4.422 4.350 -0.011 0.000 0.268 1240 T C 0.523 175.213 174.700 -0.018 0.000 1.073 1240 T CA 0.933 63.009 62.100 -0.040 0.000 1.134 1240 T CB -0.128 68.731 68.868 -0.014 0.000 0.884 1240 T HN 0.559 nan 8.240 nan 0.000 0.479 1241 S N -0.834 114.876 115.700 0.017 0.000 2.615 1241 S HA 0.537 5.001 4.470 -0.011 0.000 0.269 1241 S C 0.218 174.929 174.600 0.185 0.000 1.161 1241 S CA -0.799 57.459 58.200 0.096 0.000 0.817 1241 S CB 1.305 64.535 63.200 0.051 0.000 1.131 1241 S HN 0.009 nan 8.310 nan 0.000 0.467 1242 L N 1.334 122.707 121.223 0.249 0.000 2.083 1242 L HA 0.091 4.425 4.340 -0.011 0.000 0.209 1242 L C 2.606 179.504 176.870 0.047 0.000 1.083 1242 L CA 2.105 57.063 54.840 0.197 0.000 0.752 1242 L CB -0.792 41.288 42.059 0.036 0.000 0.899 1242 L HN 0.950 nan 8.230 nan 0.000 0.433 1243 E N -0.029 120.188 120.200 0.028 0.000 2.130 1243 E HA -0.231 4.112 4.350 -0.011 0.000 0.196 1243 E C 1.908 178.505 176.600 -0.005 0.000 0.998 1243 E CA 1.420 57.820 56.400 -0.000 0.000 0.806 1243 E CB -0.022 29.680 29.700 0.003 0.000 0.738 1243 E HN 0.585 nan 8.360 nan 0.000 0.459 1244 A N 0.279 123.106 122.820 0.010 0.000 2.178 1244 A HA 0.361 4.674 4.320 -0.011 0.000 0.211 1244 A C 1.252 178.831 177.584 -0.008 0.000 1.157 1244 A CA 0.610 52.660 52.037 0.022 0.000 0.780 1244 A CB -0.112 18.922 19.000 0.057 0.000 0.828 1244 A HN 0.226 nan 8.150 nan 0.000 0.476 1245 A N 1.421 124.153 122.820 -0.147 0.000 2.425 1245 A HA 0.533 4.847 4.320 -0.011 0.000 0.249 1245 A C -2.210 175.242 177.584 -0.219 0.000 1.084 1245 A CA -1.231 50.531 52.037 -0.458 0.000 0.781 1245 A CB -0.284 18.361 19.000 -0.591 0.000 1.019 1245 A HN 0.264 nan 8.150 nan 0.000 0.490 1246 P HA 0.050 nan 4.420 nan 0.000 0.269 1246 P C 0.429 177.674 177.300 -0.093 0.000 1.217 1246 P CA -0.070 62.985 63.100 -0.075 0.000 0.783 1246 P CB 0.530 32.223 31.700 -0.012 0.000 0.898 1247 Q N 1.654 121.419 119.800 -0.059 0.000 2.096 1247 Q HA -0.256 4.077 4.340 -0.011 0.000 0.204 1247 Q C 2.082 178.038 176.000 -0.073 0.000 0.982 1247 Q CA 2.413 58.178 55.803 -0.063 0.000 0.850 1247 Q CB -0.702 28.011 28.738 -0.043 0.000 0.901 1247 Q HN 0.666 nan 8.270 nan 0.000 0.422 1248 E N -0.616 119.554 120.200 -0.050 0.000 2.097 1248 E HA -0.228 4.116 4.350 -0.011 0.000 0.196 1248 E C 1.553 178.083 176.600 -0.117 0.000 1.000 1248 E CA 1.730 58.102 56.400 -0.048 0.000 0.804 1248 E CB -0.258 29.452 29.700 0.017 0.000 0.740 1248 E HN 0.411 nan 8.360 nan 0.000 0.454 1249 I N 1.189 121.679 120.570 -0.133 0.000 2.193 1249 I HA -0.154 4.009 4.170 -0.011 0.000 0.240 1249 I C 2.606 178.585 176.117 -0.231 0.000 1.084 1249 I CA 1.297 62.474 61.300 -0.205 0.000 1.365 1249 I CB -1.344 36.530 38.000 -0.209 0.000 1.064 1249 I HN 0.205 nan 8.210 nan 0.000 0.410 1250 R N 0.730 121.115 120.500 -0.191 0.000 2.117 1250 R HA -0.202 4.131 4.340 -0.011 0.000 0.243 1250 R C 1.818 178.009 176.300 -0.182 0.000 1.143 1250 R CA 1.634 57.624 56.100 -0.184 0.000 0.968 1250 R CB -0.365 29.852 30.300 -0.138 0.000 0.863 1250 R HN 0.416 nan 8.270 nan 0.000 0.444 1251 D N 0.120 120.426 120.400 -0.157 0.000 2.117 1251 D HA -0.090 4.544 4.640 -0.011 0.000 0.198 1251 D C 2.039 178.233 176.300 -0.178 0.000 0.982 1251 D CA 0.855 54.770 54.000 -0.141 0.000 0.828 1251 D CB -0.212 40.526 40.800 -0.104 0.000 0.967 1251 D HN -0.027 nan 8.370 nan 0.000 0.464 1252 V N 1.114 120.884 119.914 -0.239 0.000 2.295 1252 V HA -0.219 3.895 4.120 -0.011 0.000 0.246 1252 V C 2.630 178.541 176.094 -0.304 0.000 1.049 1252 V CA 1.196 63.307 62.300 -0.316 0.000 1.024 1252 V CB -0.466 30.998 31.823 -0.599 0.000 0.648 1252 V HN 0.197 nan 8.190 nan 0.000 0.447 1253 L N -0.461 120.567 121.223 -0.326 0.000 2.046 1253 L HA -0.168 4.165 4.340 -0.011 0.000 0.208 1253 L C 2.719 179.423 176.870 -0.277 0.000 1.077 1253 L CA 1.800 56.436 54.840 -0.340 0.000 0.747 1253 L CB -0.698 41.121 42.059 -0.401 0.000 0.896 1253 L HN 0.343 nan 8.230 nan 0.000 0.432 1254 S N 0.017 115.581 115.700 -0.227 0.000 2.348 1254 S HA -0.212 4.251 4.470 -0.011 0.000 0.221 1254 S C 1.972 176.481 174.600 -0.152 0.000 1.033 1254 S CA 1.597 59.691 58.200 -0.177 0.000 1.010 1254 S CB -0.015 63.099 63.200 -0.144 0.000 0.891 1254 S HN 0.213 nan 8.310 nan 0.000 0.442 1255 K N 0.871 121.186 120.400 -0.143 0.000 2.362 1255 K HA 0.202 4.515 4.320 -0.011 0.000 0.200 1255 K C 1.512 178.037 176.600 -0.123 0.000 1.046 1255 K CA 0.890 57.108 56.287 -0.114 0.000 0.952 1255 K CB -0.187 32.255 32.500 -0.096 0.000 0.753 1255 K HN 0.374 nan 8.250 nan 0.000 0.466 1256 A N -0.540 122.183 122.820 -0.163 0.000 2.308 1256 A HA 0.347 4.660 4.320 -0.011 0.000 0.217 1256 A C 1.146 178.620 177.584 -0.185 0.000 1.216 1256 A CA 0.383 52.317 52.037 -0.172 0.000 0.864 1256 A CB -0.187 18.697 19.000 -0.194 0.000 0.902 1256 A HN 0.257 nan 8.150 nan 0.000 0.499 1257 G N -0.244 108.449 108.800 -0.178 0.000 2.221 1257 G HA2 -0.229 3.725 3.960 -0.011 0.000 0.265 1257 G HA3 -0.229 3.725 3.960 -0.011 0.000 0.265 1257 G C -0.075 174.696 174.900 -0.215 0.000 1.041 1257 G CA 0.557 45.559 45.100 -0.163 0.000 0.807 1257 G HN 0.507 nan 8.290 nan 0.000 0.502 1258 I N -0.435 119.946 120.570 -0.316 0.000 2.378 1258 I HA 0.505 4.668 4.170 -0.011 0.000 0.291 1258 I C 0.508 176.362 176.117 -0.438 0.000 0.992 1258 I CA -0.832 60.171 61.300 -0.496 0.000 1.154 1258 I CB 1.919 39.468 38.000 -0.752 0.000 1.315 1258 I HN 0.094 nan 8.210 nan 0.000 0.448 1259 R N 7.291 127.565 120.500 -0.377 0.000 2.412 1259 R HA 0.484 4.818 4.340 -0.011 0.000 0.304 1259 R C -2.634 173.487 176.300 -0.298 0.000 1.066 1259 R CA -1.476 54.435 56.100 -0.314 0.000 0.923 1259 R CB 1.313 31.493 30.300 -0.199 0.000 1.156 1259 R HN 0.302 nan 8.270 nan 0.000 0.513 1260 P HA 0.125 nan 4.420 nan 0.000 0.274 1260 P C -1.250 175.971 177.300 -0.132 0.000 1.237 1260 P CA -0.380 62.550 63.100 -0.283 0.000 0.793 1260 P CB 0.719 32.100 31.700 -0.531 0.000 0.977 1261 K N 1.548 121.921 120.400 -0.044 0.000 2.234 1261 K HA 0.525 4.838 4.320 -0.011 0.000 0.277 1261 K C 1.020 177.617 176.600 -0.004 0.000 1.038 1261 K CA -0.346 55.928 56.287 -0.021 0.000 0.888 1261 K CB 0.645 33.140 32.500 -0.009 0.000 1.091 1261 K HN 0.715 nan 8.250 nan 0.000 0.467 1262 G N 2.797 111.602 108.800 0.008 0.000 2.591 1262 G HA2 -0.359 3.594 3.960 -0.011 0.000 0.298 1262 G HA3 -0.359 3.594 3.960 -0.011 0.000 0.298 1262 G C -0.099 174.835 174.900 0.055 0.000 1.195 1262 G CA -0.102 45.001 45.100 0.005 0.000 0.989 1262 G HN 0.870 nan 8.290 nan 0.000 0.551 1263 A N 0.139 122.903 122.820 -0.094 0.000 2.302 1263 A HA 0.896 5.210 4.320 -0.011 0.000 0.285 1263 A C -0.248 177.247 177.584 -0.148 0.000 1.105 1263 A CA 0.828 52.764 52.037 -0.169 0.000 0.816 1263 A CB 0.374 19.173 19.000 -0.335 0.000 1.067 1263 A HN 2.160 nan 8.150 nan 0.000 0.489 1264 F N -1.601 118.327 119.950 -0.037 0.000 2.693 1264 F HA 0.632 5.153 4.527 -0.010 0.000 0.309 1264 F C -0.894 175.091 175.800 0.309 0.000 1.129 1264 F CA -0.914 57.170 58.000 0.141 0.000 0.948 1264 F CB 1.195 40.246 39.000 0.085 0.000 1.315 1264 F HN 0.527 nan 8.300 nan 0.000 0.447 1265 Q N 2.001 122.066 119.800 0.442 0.000 2.274 1265 Q HA 0.630 4.964 4.340 -0.011 0.000 0.260 1265 Q C -1.297 174.848 176.000 0.241 0.000 0.974 1265 Q CA -1.061 54.825 55.803 0.138 0.000 0.876 1265 Q CB 2.502 31.259 28.738 0.033 0.000 1.297 1265 Q HN 0.513 nan 8.270 nan 0.000 0.446 1266 I N 3.060 123.669 120.570 0.064 0.000 2.406 1266 I HA 0.358 4.521 4.170 -0.011 0.000 0.290 1266 I C -0.842 175.254 176.117 -0.036 0.000 0.999 1266 I CA -0.508 60.927 61.300 0.224 0.000 1.124 1266 I CB 0.982 39.245 38.000 0.438 0.000 1.289 1266 I HN 0.552 nan 8.210 nan 0.000 0.441 1267 F N 5.453 125.555 119.950 0.253 0.000 2.411 1267 F HA 0.553 5.072 4.527 -0.014 0.000 0.352 1267 F C 0.610 176.541 175.800 0.219 0.000 1.123 1267 F CA -0.659 57.466 58.000 0.208 0.000 1.044 1267 F CB 1.348 40.468 39.000 0.201 0.000 1.135 1267 F HN 0.356 nan 8.300 nan 0.000 0.461 1268 R N 2.331 122.997 120.500 0.277 0.000 2.534 1268 R HA 0.784 5.118 4.340 -0.011 0.000 0.301 1268 R C -0.976 175.306 176.300 -0.031 0.000 0.961 1268 R CA -0.872 55.271 56.100 0.072 0.000 0.871 1268 R CB 1.507 31.852 30.300 0.075 0.000 1.170 1268 R HN 0.770 nan 8.270 nan 0.000 0.446 1269 A N 3.538 126.217 122.820 -0.236 0.000 2.484 1269 A HA 0.088 4.402 4.320 -0.011 0.000 0.268 1269 A C 0.177 177.699 177.584 -0.103 0.000 1.114 1269 A CA -0.273 51.604 52.037 -0.266 0.000 0.780 1269 A CB 0.190 18.819 19.000 -0.619 0.000 1.061 1269 A HN 0.917 nan 8.150 nan 0.000 0.505 1270 D N 1.002 121.402 120.400 -0.000 0.000 2.144 1270 D HA -0.087 4.547 4.640 -0.011 0.000 0.199 1270 D C 0.415 176.739 176.300 0.041 0.000 0.984 1270 D CA 1.525 55.541 54.000 0.028 0.000 0.834 1270 D CB 0.148 40.980 40.800 0.053 0.000 0.955 1270 D HN 0.581 nan 8.370 nan 0.000 0.465 1271 N N -0.350 118.393 118.700 0.072 0.000 2.573 1271 N HA 0.128 4.861 4.740 -0.011 0.000 0.262 1271 N C -2.214 173.386 175.510 0.151 0.000 1.029 1271 N CA -1.811 51.295 53.050 0.093 0.000 0.882 1271 N CB 2.194 40.734 38.487 0.088 0.000 1.204 1271 N HN -0.284 nan 8.380 nan 0.000 0.519 1272 P HA -0.151 nan 4.420 nan 0.000 0.214 1272 P C 1.321 178.826 177.300 0.341 0.000 1.169 1272 P CA 1.280 64.568 63.100 0.314 0.000 0.908 1272 P CB 0.405 32.233 31.700 0.213 0.000 0.791 1273 R N 0.236 120.868 120.500 0.219 0.000 2.096 1273 R HA -0.206 4.127 4.340 -0.011 0.000 0.240 1273 R C 2.310 178.721 176.300 0.185 0.000 1.139 1273 R CA 2.190 58.406 56.100 0.193 0.000 0.952 1273 R CB -1.252 29.117 30.300 0.115 0.000 0.854 1273 R HN 0.272 nan 8.270 nan 0.000 0.436 1274 E N -1.349 118.933 120.200 0.137 0.000 2.047 1274 E HA -0.201 4.143 4.350 -0.011 0.000 0.191 1274 E C 1.854 178.477 176.600 0.038 0.000 0.987 1274 E CA 1.170 57.612 56.400 0.070 0.000 0.799 1274 E CB -0.351 29.386 29.700 0.062 0.000 0.752 1274 E HN 0.373 nan 8.360 nan 0.000 0.449 1275 F N 0.447 120.368 119.950 -0.048 0.000 2.126 1275 F HA -0.259 4.260 4.527 -0.013 0.000 0.299 1275 F C 2.168 177.798 175.800 -0.284 0.000 1.096 1275 F CA 1.994 59.919 58.000 -0.126 0.000 1.255 1275 F CB -0.485 38.414 39.000 -0.168 0.000 0.997 1275 F HN 0.180 nan 8.300 nan 0.000 0.479 1276 Y N 1.253 121.430 120.300 -0.205 0.000 2.114 1276 Y HA -0.255 4.289 4.550 -0.011 0.000 0.284 1276 Y C 2.309 178.064 175.900 -0.243 0.000 1.143 1276 Y CA 2.157 60.071 58.100 -0.310 0.000 1.135 1276 Y CB -0.796 37.663 38.460 -0.003 0.000 0.980 1276 Y HN 0.043 nan 8.280 nan 0.000 0.499 1277 D N -0.706 119.653 120.400 -0.068 0.000 2.149 1277 D HA -0.166 4.468 4.640 -0.011 0.000 0.198 1277 D C 2.061 178.147 176.300 -0.358 0.000 0.990 1277 D CA 2.106 56.002 54.000 -0.172 0.000 0.839 1277 D CB -0.432 40.344 40.800 -0.040 0.000 0.948 1277 D HN 0.441 nan 8.370 nan 0.000 0.460 1278 T N -0.857 113.406 114.554 -0.485 0.000 2.894 1278 T HA -0.065 4.278 4.350 -0.011 0.000 0.258 1278 T C 1.365 175.519 174.700 -0.911 0.000 1.043 1278 T CA 0.881 62.524 62.100 -0.761 0.000 1.141 1278 T CB -0.073 68.135 68.868 -1.099 0.000 0.873 1278 T HN 0.200 nan 8.240 nan 0.000 0.449 1279 Y N -0.645 119.282 120.300 -0.621 0.000 2.512 1279 Y HA 0.406 4.949 4.550 -0.011 0.000 0.268 1279 Y C 2.093 177.636 175.900 -0.595 0.000 1.102 1279 Y CA -0.595 57.111 58.100 -0.656 0.000 1.261 1279 Y CB 0.045 37.923 38.460 -0.970 0.000 1.250 1279 Y HN -0.056 nan 8.280 nan 0.000 0.506 1280 V N 1.284 120.857 119.914 -0.567 0.000 2.283 1280 V HA -0.192 3.922 4.120 -0.011 0.000 0.239 1280 V C 2.079 177.960 176.094 -0.356 0.000 1.035 1280 V CA 2.110 64.133 62.300 -0.461 0.000 1.018 1280 V CB -0.588 30.880 31.823 -0.591 0.000 0.658 1280 V HN 0.346 nan 8.190 nan 0.000 0.459 1281 K N 1.574 121.582 120.400 -0.654 0.000 2.519 1281 K HA -0.116 4.198 4.320 -0.011 0.000 0.196 1281 K C 1.395 177.866 176.600 -0.215 0.000 1.041 1281 K CA 1.668 57.706 56.287 -0.415 0.000 0.954 1281 K CB -0.484 31.697 32.500 -0.532 0.000 0.774 1281 K HN 0.618 nan 8.250 nan 0.000 0.480 1282 T N -3.638 110.779 114.554 -0.227 0.000 3.054 1282 T HA 0.246 4.589 4.350 -0.011 0.000 0.255 1282 T C 1.185 175.826 174.700 -0.097 0.000 1.035 1282 T CA -0.041 61.967 62.100 -0.153 0.000 0.941 1282 T CB 0.338 69.095 68.868 -0.185 0.000 1.026 1282 T HN 0.361 nan 8.240 nan 0.000 0.533 1283 G N 2.105 110.860 108.800 -0.075 0.000 2.323 1283 G HA2 -0.218 3.736 3.960 -0.011 0.000 0.292 1283 G HA3 -0.218 3.736 3.960 -0.011 0.000 0.292 1283 G C -0.091 174.781 174.900 -0.045 0.000 1.040 1283 G CA 0.048 45.131 45.100 -0.028 0.000 0.942 1283 G HN 0.703 nan 8.290 nan 0.000 0.506 1284 I N 0.997 121.527 120.570 -0.067 0.000 2.297 1284 I HA 0.191 4.354 4.170 -0.011 0.000 0.291 1284 I C -0.012 176.053 176.117 -0.086 0.000 1.033 1284 I CA -0.912 60.360 61.300 -0.047 0.000 1.253 1284 I CB 0.703 38.714 38.000 0.018 0.000 1.396 1284 I HN -0.010 nan 8.210 nan 0.000 0.476 1285 D N 6.849 127.213 120.400 -0.061 0.000 2.400 1285 D HA 0.318 4.951 4.640 -0.011 0.000 0.238 1285 D C -0.067 176.168 176.300 -0.109 0.000 1.157 1285 D CA 0.288 54.256 54.000 -0.052 0.000 0.889 1285 D CB 1.100 41.894 40.800 -0.010 0.000 1.199 1285 D HN 0.279 nan 8.370 nan 0.000 0.436 1286 L N 1.039 122.205 121.223 -0.095 0.000 2.330 1286 L HA 0.461 4.794 4.340 -0.011 0.000 0.271 1286 L C 0.294 177.118 176.870 -0.076 0.000 1.013 1286 L CA -0.889 53.863 54.840 -0.146 0.000 0.816 1286 L CB 1.596 43.539 42.059 -0.193 0.000 1.287 1286 L HN 0.142 nan 8.230 nan 0.000 0.435 1287 K N 2.551 122.886 120.400 -0.109 0.000 2.413 1287 K HA 0.597 4.910 4.320 -0.011 0.000 0.257 1287 K C -1.401 175.111 176.600 -0.147 0.000 0.946 1287 K CA -0.458 55.765 56.287 -0.106 0.000 0.823 1287 K CB 1.442 33.903 32.500 -0.064 0.000 1.109 1287 K HN 0.492 nan 8.250 nan 0.000 0.427 1288 I N 4.545 124.978 120.570 -0.228 0.000 2.339 1288 I HA 0.239 4.402 4.170 -0.011 0.000 0.290 1288 I C -0.588 175.446 176.117 -0.139 0.000 0.994 1288 I CA -1.128 60.002 61.300 -0.282 0.000 1.191 1288 I CB 1.879 39.481 38.000 -0.664 0.000 1.343 1288 I HN 0.250 nan 8.210 nan 0.000 0.458 1289 V N 5.052 124.944 119.914 -0.037 0.000 2.394 1289 V HA 0.314 4.427 4.120 -0.011 0.000 0.282 1289 V C 0.171 176.324 176.094 0.099 0.000 1.031 1289 V CA -0.224 62.110 62.300 0.056 0.000 0.881 1289 V CB 1.626 33.499 31.823 0.084 0.000 0.982 1289 V HN 0.756 nan 8.190 nan 0.000 0.451 1290 S N 7.021 122.811 115.700 0.149 0.000 2.395 1290 S HA 0.507 4.970 4.470 -0.011 0.000 0.207 1290 S C -2.738 171.927 174.600 0.108 0.000 1.454 1290 S CA -1.224 57.082 58.200 0.177 0.000 1.211 1290 S CB 0.993 64.365 63.200 0.286 0.000 1.093 1290 S HN 0.527 nan 8.310 nan 0.000 0.472 1291 P HA 0.406 nan 4.420 nan 0.000 0.275 1291 P C -0.878 176.292 177.300 -0.217 0.000 1.227 1291 P CA -0.169 62.810 63.100 -0.203 0.000 0.781 1291 P CB 0.642 32.182 31.700 -0.267 0.000 0.906 1292 M N 1.824 121.242 119.600 -0.303 0.000 2.271 1292 M HA 0.299 4.772 4.480 -0.011 0.000 0.285 1292 M C -1.021 175.122 176.300 -0.262 0.000 1.059 1292 M CA -0.933 54.231 55.300 -0.227 0.000 0.940 1292 M CB 2.315 34.854 32.600 -0.102 0.000 1.636 1292 M HN -0.074 nan 8.290 nan 0.000 0.460 1293 V N 3.251 123.042 119.914 -0.204 0.000 2.607 1293 V HA 0.286 4.399 4.120 -0.011 0.000 0.289 1293 V C 0.263 176.262 176.094 -0.160 0.000 1.053 1293 V CA -0.845 61.350 62.300 -0.174 0.000 0.996 1293 V CB 1.571 33.319 31.823 -0.126 0.000 0.995 1293 V HN 0.620 nan 8.190 nan 0.000 0.476 1294 V N 5.081 124.907 119.914 -0.146 0.000 2.521 1294 V HA 0.091 4.205 4.120 -0.011 0.000 0.286 1294 V C 0.712 176.752 176.094 -0.090 0.000 1.034 1294 V CA -0.379 61.831 62.300 -0.150 0.000 1.045 1294 V CB 0.348 32.124 31.823 -0.077 0.000 0.974 1294 V HN 0.813 nan 8.190 nan 0.000 0.480 1295 K N 3.729 124.076 120.400 -0.088 0.000 2.485 1295 K HA 0.009 4.322 4.320 -0.011 0.000 0.277 1295 K C 1.337 177.913 176.600 -0.041 0.000 0.990 1295 K CA -0.010 56.243 56.287 -0.058 0.000 0.994 1295 K CB 0.557 33.030 32.500 -0.044 0.000 0.906 1295 K HN 0.613 nan 8.250 nan 0.000 0.488 1296 K N 2.477 122.842 120.400 -0.059 0.000 2.074 1296 K HA -0.316 3.997 4.320 -0.011 0.000 0.209 1296 K C 1.956 178.531 176.600 -0.042 0.000 1.048 1296 K CA 1.855 58.091 56.287 -0.084 0.000 0.926 1296 K CB 0.046 32.459 32.500 -0.146 0.000 0.713 1296 K HN 0.604 nan 8.250 nan 0.000 0.444 1297 Q N -0.190 119.591 119.800 -0.031 0.000 2.152 1297 Q HA -0.203 4.130 4.340 -0.011 0.000 0.206 1297 Q C 1.917 177.936 176.000 0.032 0.000 0.985 1297 Q CA 1.692 57.494 55.803 -0.003 0.000 0.863 1297 Q CB -0.002 28.731 28.738 -0.007 0.000 0.904 1297 Q HN 0.364 nan 8.270 nan 0.000 0.422 1298 M N -0.715 118.907 119.600 0.036 0.000 2.279 1298 M HA -0.072 4.401 4.480 -0.011 0.000 0.264 1298 M C 2.110 178.469 176.300 0.100 0.000 1.062 1298 M CA 1.407 56.747 55.300 0.067 0.000 1.099 1298 M CB -1.044 31.596 32.600 0.066 0.000 1.394 1298 M HN 0.369 nan 8.290 nan 0.000 0.426 1299 G N -0.470 108.408 108.800 0.131 0.000 2.448 1299 G HA2 -0.169 3.784 3.960 -0.011 0.000 0.218 1299 G HA3 -0.169 3.784 3.960 -0.011 0.000 0.218 1299 G C 1.514 176.561 174.900 0.245 0.000 1.135 1299 G CA 0.148 45.389 45.100 0.235 0.000 0.784 1299 G HN 0.509 nan 8.290 nan 0.000 0.543 1300 Q N -0.186 119.723 119.800 0.181 0.000 2.245 1300 Q HA -0.018 4.315 4.340 -0.011 0.000 0.201 1300 Q C 2.611 178.658 176.000 0.079 0.000 0.955 1300 Q CA 1.512 57.398 55.803 0.138 0.000 0.870 1300 Q CB 0.115 28.906 28.738 0.088 0.000 0.945 1300 Q HN 0.606 nan 8.270 nan 0.000 0.461 1301 T N -3.709 110.886 114.554 0.069 0.000 2.990 1301 T HA 0.388 4.731 4.350 -0.011 0.000 0.250 1301 T C 0.956 175.687 174.700 0.053 0.000 1.041 1301 T CA 0.175 62.306 62.100 0.052 0.000 1.010 1301 T CB 0.504 69.400 68.868 0.046 0.000 1.003 1301 T HN 0.366 nan 8.240 nan 0.000 0.499 1302 G N 0.075 108.914 108.800 0.065 0.000 2.888 1302 G HA2 0.378 4.331 3.960 -0.011 0.000 0.441 1302 G HA3 0.378 4.331 3.960 -0.011 0.000 0.441 1302 G C 0.054 175.001 174.900 0.078 0.000 1.461 1302 G CA -0.574 44.566 45.100 0.067 0.000 0.897 1302 G HN 1.894 nan 8.290 nan 0.000 0.547 1303 G N -1.758 107.094 108.800 0.086 0.000 2.361 1303 G HA2 0.607 4.560 3.960 -0.011 0.000 0.305 1303 G HA3 0.607 4.560 3.960 -0.011 0.000 0.305 1303 G C -0.506 174.459 174.900 0.108 0.000 1.367 1303 G CA 0.567 45.723 45.100 0.092 0.000 0.951 1303 G HN 1.823 nan 8.290 nan 0.000 0.615 1304 S N -0.846 114.908 115.700 0.090 0.000 2.690 1304 S HA 0.929 5.392 4.470 -0.011 0.000 0.291 1304 S C -0.919 173.776 174.600 0.158 0.000 1.138 1304 S CA -0.300 57.926 58.200 0.043 0.000 1.013 1304 S CB 1.215 64.415 63.200 0.000 0.000 1.053 1304 S HN 1.260 nan 8.310 nan 0.000 0.539 1305 Y N -1.019 119.323 120.300 0.069 0.000 2.571 1305 Y HA 0.732 5.276 4.550 -0.011 0.000 0.341 1305 Y C -0.980 174.974 175.900 0.090 0.000 1.076 1305 Y CA -1.201 56.948 58.100 0.081 0.000 1.029 1305 Y CB 0.887 39.409 38.460 0.104 0.000 1.308 1305 Y HN 0.689 nan 8.280 nan 0.000 0.461 1306 E N 1.303 121.639 120.200 0.226 0.000 2.343 1306 E HA 0.557 4.900 4.350 -0.011 0.000 0.270 1306 E C -1.912 174.784 176.600 0.159 0.000 0.895 1306 E CA -1.164 55.320 56.400 0.139 0.000 0.767 1306 E CB 2.804 32.532 29.700 0.048 0.000 1.248 1306 E HN 0.620 nan 8.360 nan 0.000 0.440 1307 N N 1.012 119.751 118.700 0.065 0.000 2.272 1307 N HA 0.249 4.982 4.740 -0.011 0.000 0.305 1307 N C -1.651 173.790 175.510 -0.115 0.000 1.103 1307 N CA -0.402 52.608 53.050 -0.066 0.000 0.791 1307 N CB 2.085 40.310 38.487 -0.436 0.000 1.356 1307 N HN 0.571 nan 8.380 nan 0.000 0.486 1308 Q N 1.513 121.255 119.800 -0.095 0.000 2.416 1308 Q HA 0.795 5.129 4.340 -0.011 0.000 0.281 1308 Q C -1.869 174.038 176.000 -0.154 0.000 1.067 1308 Q CA -0.984 54.725 55.803 -0.156 0.000 0.809 1308 Q CB 1.910 30.543 28.738 -0.174 0.000 1.418 1308 Q HN 0.700 nan 8.270 nan 0.000 0.411 1309 A N 1.927 124.578 122.820 -0.282 0.000 2.430 1309 A HA 0.875 5.189 4.320 -0.011 0.000 0.300 1309 A C -1.961 175.269 177.584 -0.589 0.000 1.124 1309 A CA -0.404 51.490 52.037 -0.239 0.000 0.766 1309 A CB 1.141 20.119 19.000 -0.037 0.000 1.328 1309 A HN 0.668 nan 8.150 nan 0.000 0.424 1310 Y N -0.313 119.722 120.300 -0.441 0.000 2.504 1310 Y HA 0.490 5.033 4.550 -0.012 0.000 0.344 1310 Y C -0.023 175.366 175.900 -0.851 0.000 1.023 1310 Y CA -0.695 57.136 58.100 -0.448 0.000 1.020 1310 Y CB 2.182 40.476 38.460 -0.276 0.000 1.282 1310 Y HN 0.815 nan 8.280 nan 0.000 0.454 1311 Q N 3.147 122.685 119.800 -0.436 0.000 2.309 1311 Q HA 0.796 5.130 4.340 -0.011 0.000 0.264 1311 Q C -1.642 174.381 176.000 0.037 0.000 1.008 1311 Q CA -0.800 54.722 55.803 -0.469 0.000 0.853 1311 Q CB 2.331 30.859 28.738 -0.349 0.000 1.314 1311 Q HN 0.762 nan 8.270 nan 0.000 0.448 1312 I N 2.938 123.577 120.570 0.115 0.000 2.448 1312 I HA 0.321 4.484 4.170 -0.011 0.000 0.281 1312 I C -1.292 175.053 176.117 0.379 0.000 1.027 1312 I CA -0.860 60.580 61.300 0.233 0.000 1.111 1312 I CB 1.599 39.670 38.000 0.119 0.000 1.236 1312 I HN 0.587 nan 8.210 nan 0.000 0.452 1313 D N 7.179 127.846 120.400 0.445 0.000 2.344 1313 D HA 0.373 5.007 4.640 -0.011 0.000 0.239 1313 D C 0.194 176.565 176.300 0.118 0.000 1.064 1313 D CA -0.374 53.783 54.000 0.262 0.000 0.829 1313 D CB 1.541 42.659 40.800 0.529 0.000 1.129 1313 D HN 0.443 nan 8.370 nan 0.000 0.506 1314 F N 1.405 121.217 119.950 -0.230 0.000 3.034 1314 F HA -0.225 4.296 4.527 -0.010 0.000 0.286 1314 F C 1.531 177.294 175.800 -0.063 0.000 0.804 1314 F CA 0.761 58.647 58.000 -0.190 0.000 1.161 1314 F CB -1.992 36.977 39.000 -0.052 0.000 1.317 1314 F HN 0.727 nan 8.300 nan 0.000 0.453 1315 G N -1.173 107.676 108.800 0.082 0.000 2.175 1315 G HA2 -0.304 3.649 3.960 -0.011 0.000 0.244 1315 G HA3 -0.304 3.649 3.960 -0.011 0.000 0.244 1315 G C 0.084 175.004 174.900 0.033 0.000 0.982 1315 G CA 0.006 45.136 45.100 0.049 0.000 0.641 1315 G HN 0.492 nan 8.290 nan 0.000 0.527 1316 N N 1.291 120.052 118.700 0.102 0.000 2.455 1316 N HA 0.519 5.252 4.740 -0.011 0.000 0.280 1316 N C 0.490 175.901 175.510 -0.166 0.000 1.055 1316 N CA 0.642 53.680 53.050 -0.021 0.000 0.961 1316 N CB 1.526 40.072 38.487 0.098 0.000 1.121 1316 N HN 0.464 nan 8.380 nan 0.000 0.476 1317 G N 1.127 109.723 108.800 -0.339 0.000 2.367 1317 G HA2 0.523 4.476 3.960 -0.011 0.000 0.314 1317 G HA3 0.523 4.476 3.960 -0.011 0.000 0.314 1317 G C -1.317 173.272 174.900 -0.519 0.000 1.130 1317 G CA -0.256 44.675 45.100 -0.283 0.000 0.864 1317 G HN 0.441 nan 8.290 nan 0.000 0.486 1318 Y N 0.334 120.686 120.300 0.088 0.000 2.354 1318 Y HA 0.566 5.109 4.550 -0.012 0.000 0.330 1318 Y C 0.380 176.291 175.900 0.020 0.000 1.011 1318 Y CA -0.921 57.215 58.100 0.061 0.000 1.099 1318 Y CB 2.165 40.657 38.460 0.055 0.000 1.179 1318 Y HN 0.773 nan 8.280 nan 0.000 0.442 1319 A N 2.110 124.996 122.820 0.111 0.000 2.309 1319 A HA 0.608 4.922 4.320 -0.011 0.000 0.298 1319 A C 0.311 177.781 177.584 -0.191 0.000 1.165 1319 A CA -0.495 51.466 52.037 -0.127 0.000 0.821 1319 A CB 0.424 19.369 19.000 -0.092 0.000 1.102 1319 A HN 0.765 nan 8.150 nan 0.000 0.500 1320 S N 2.889 118.385 115.700 -0.340 0.000 2.600 1320 S HA 0.195 4.659 4.470 -0.011 0.000 0.265 1320 S C 0.406 174.899 174.600 -0.179 0.000 1.325 1320 S CA -0.393 57.677 58.200 -0.216 0.000 1.002 1320 S CB 0.078 63.153 63.200 -0.210 0.000 0.921 1320 S HN 0.902 nan 8.310 nan 0.000 0.554 1321 N N 0.624 119.265 118.700 -0.098 0.000 1.722 1321 N HA -0.159 4.574 4.740 -0.011 0.000 0.342 1321 N C -0.868 174.588 175.510 -0.090 0.000 1.252 1321 N CA 0.824 53.833 53.050 -0.068 0.000 0.780 1321 N CB -0.608 37.857 38.487 -0.036 0.000 0.999 1321 N HN 0.614 nan 8.380 nan 0.000 0.513 1322 I N 3.288 123.819 120.570 -0.065 0.000 2.315 1322 I HA 0.205 4.368 4.170 -0.011 0.000 0.291 1322 I C -0.140 175.959 176.117 -0.029 0.000 1.006 1322 I CA -0.892 60.373 61.300 -0.059 0.000 1.265 1322 I CB 1.226 39.200 38.000 -0.043 0.000 1.387 1322 I HN 0.133 nan 8.210 nan 0.000 0.475 1323 V N 7.715 127.613 119.914 -0.026 0.000 2.435 1323 V HA 0.495 4.609 4.120 -0.011 0.000 0.290 1323 V C 0.051 176.155 176.094 0.018 0.000 1.030 1323 V CA -0.493 61.816 62.300 0.015 0.000 0.881 1323 V CB 1.921 33.783 31.823 0.065 0.000 0.983 1323 V HN 0.482 nan 8.190 nan 0.000 0.445 1324 I N 4.329 124.892 120.570 -0.011 0.000 2.509 1324 I HA 0.526 4.689 4.170 -0.011 0.000 0.293 1324 I C -0.418 175.603 176.117 -0.160 0.000 1.020 1324 I CA -0.432 60.819 61.300 -0.081 0.000 1.088 1324 I CB 2.235 40.198 38.000 -0.062 0.000 1.267 1324 I HN 0.650 nan 8.210 nan 0.000 0.430 1325 N N 3.033 121.490 118.700 -0.405 0.000 2.571 1325 N HA 0.502 5.235 4.740 -0.011 0.000 0.273 1325 N C -1.483 173.735 175.510 -0.488 0.000 1.340 1325 N CA -0.961 51.811 53.050 -0.463 0.000 0.789 1325 N CB 1.929 40.073 38.487 -0.571 0.000 1.514 1325 N HN 0.721 nan 8.380 nan 0.000 0.499 1326 N N -1.549 117.013 118.700 -0.231 0.000 2.380 1326 N HA 0.712 5.445 4.740 -0.011 0.000 0.290 1326 N C -1.936 173.608 175.510 0.057 0.000 1.236 1326 N CA -0.741 52.259 53.050 -0.083 0.000 0.780 1326 N CB 1.723 40.192 38.487 -0.030 0.000 1.438 1326 N HN 0.134 nan 8.380 nan 0.000 0.491 1327 V N 0.757 120.743 119.914 0.120 0.000 2.531 1327 V HA 0.561 4.675 4.120 -0.011 0.000 0.301 1327 V C -2.393 173.755 176.094 0.090 0.000 1.034 1327 V CA -1.577 60.812 62.300 0.148 0.000 0.865 1327 V CB 1.494 33.438 31.823 0.201 0.000 0.995 1327 V HN 0.760 nan 8.190 nan 0.000 0.424 1328 P HA 0.225 nan 4.420 nan 0.000 0.281 1328 P C -0.724 176.581 177.300 0.009 0.000 1.252 1328 P CA -0.558 62.560 63.100 0.030 0.000 0.778 1328 P CB 0.573 32.281 31.700 0.013 0.000 0.895 1329 K N 4.598 124.999 120.400 0.002 0.000 2.378 1329 K HA 0.169 4.483 4.320 -0.011 0.000 0.288 1329 K C -0.289 176.253 176.600 -0.096 0.000 1.057 1329 K CA -0.302 55.975 56.287 -0.016 0.000 0.971 1329 K CB -0.067 32.436 32.500 0.005 0.000 0.975 1329 K HN 0.326 nan 8.250 nan 0.000 0.475 1330 I N 4.360 124.793 120.570 -0.228 0.000 2.312 1330 I HA 0.074 4.237 4.170 -0.011 0.000 0.291 1330 I C -0.137 175.794 176.117 -0.310 0.000 1.031 1330 I CA -0.352 60.682 61.300 -0.444 0.000 1.293 1330 I CB 0.523 37.813 38.000 -1.183 0.000 1.403 1330 I HN 0.651 nan 8.210 nan 0.000 0.484 1331 N N 8.869 127.468 118.700 -0.169 0.000 2.804 1331 N HA 0.392 5.125 4.740 -0.011 0.000 0.251 1331 N C -2.754 172.732 175.510 -0.040 0.000 1.250 1331 N CA -1.793 51.212 53.050 -0.076 0.000 0.820 1331 N CB 1.047 39.518 38.487 -0.026 0.000 1.156 1331 N HN 0.163 nan 8.380 nan 0.000 0.512 1332 P HA 0.123 nan 4.420 nan 0.000 0.264 1332 P C -0.744 176.605 177.300 0.082 0.000 1.193 1332 P CA 0.329 63.428 63.100 -0.000 0.000 0.763 1332 P CB 0.678 32.233 31.700 -0.242 0.000 0.810 1333 K N 2.070 122.591 120.400 0.203 0.000 2.328 1333 K HA 0.542 4.856 4.320 -0.011 0.000 0.246 1333 K C -0.356 176.402 176.600 0.264 0.000 0.955 1333 K CA -0.922 55.472 56.287 0.179 0.000 0.817 1333 K CB 2.193 34.764 32.500 0.118 0.000 1.208 1333 K HN 0.221 nan 8.250 nan 0.000 0.432 1334 K N 2.336 122.850 120.400 0.189 0.000 2.579 1334 K HA 0.245 4.558 4.320 -0.011 0.000 0.250 1334 K C -1.369 175.295 176.600 0.107 0.000 0.952 1334 K CA -0.523 55.858 56.287 0.157 0.000 0.857 1334 K CB 0.948 33.555 32.500 0.178 0.000 1.123 1334 K HN 0.479 nan 8.250 nan 0.000 0.433 1335 D N 1.597 122.051 120.400 0.090 0.000 2.440 1335 D HA 0.409 5.043 4.640 -0.011 0.000 0.258 1335 D C -0.783 175.635 176.300 0.196 0.000 1.092 1335 D CA -0.509 53.556 54.000 0.109 0.000 1.016 1335 D CB 1.918 42.758 40.800 0.067 0.000 1.141 1335 D HN 0.188 nan 8.370 nan 0.000 0.552 1336 V N 0.475 120.510 119.914 0.202 0.000 2.483 1336 V HA 0.511 4.624 4.120 -0.011 0.000 0.297 1336 V C 0.009 176.211 176.094 0.180 0.000 1.027 1336 V CA -0.708 61.748 62.300 0.259 0.000 0.855 1336 V CB 1.441 33.403 31.823 0.231 0.000 0.995 1336 V HN 0.757 nan 8.190 nan 0.000 0.424 1337 T N 2.047 116.732 114.554 0.219 0.000 2.908 1337 T HA 0.663 5.006 4.350 -0.011 0.000 0.290 1337 T C 0.438 175.250 174.700 0.187 0.000 1.034 1337 T CA -0.691 61.525 62.100 0.194 0.000 1.010 1337 T CB 1.909 70.939 68.868 0.269 0.000 1.068 1337 T HN 0.286 nan 8.240 nan 0.000 0.481 1338 L N 0.538 121.834 121.223 0.122 0.000 2.529 1338 L HA 0.252 4.585 4.340 -0.011 0.000 0.223 1338 L C 1.277 178.188 176.870 0.068 0.000 1.113 1338 L CA 0.288 55.187 54.840 0.099 0.000 0.861 1338 L CB 0.392 42.485 42.059 0.056 0.000 1.012 1338 L HN 0.884 nan 8.230 nan 0.000 0.461 1339 T N -1.401 113.189 114.554 0.060 0.000 2.901 1339 T HA 0.302 4.645 4.350 -0.011 0.000 0.293 1339 T C -0.079 174.582 174.700 -0.064 0.000 1.084 1339 T CA -0.483 61.614 62.100 -0.005 0.000 1.008 1339 T CB 1.951 70.805 68.868 -0.022 0.000 1.170 1339 T HN -0.206 nan 8.240 nan 0.000 0.509 1340 L N 2.213 123.321 121.223 -0.192 0.000 2.653 1340 L HA 0.443 4.776 4.340 -0.011 0.000 0.231 1340 L C 0.243 176.773 176.870 -0.567 0.000 1.153 1340 L CA 0.445 55.004 54.840 -0.468 0.000 0.933 1340 L CB -0.468 41.406 42.059 -0.308 0.000 1.175 1340 L HN 0.649 nan 8.230 nan 0.000 0.473 1341 D N 0.242 120.445 120.400 -0.328 0.000 2.336 1341 D HA 0.166 4.800 4.640 -0.011 0.000 0.249 1341 D C -1.508 174.642 176.300 -0.250 0.000 1.213 1341 D CA -1.903 51.922 54.000 -0.293 0.000 0.870 1341 D CB 1.648 42.353 40.800 -0.157 0.000 1.076 1341 D HN 0.040 nan 8.370 nan 0.000 0.483 1342 P HA -0.075 nan 4.420 nan 0.000 0.220 1342 P C 0.899 178.137 177.300 -0.104 0.000 1.148 1342 P CA 0.716 63.689 63.100 -0.211 0.000 0.803 1342 P CB 0.201 31.606 31.700 -0.491 0.000 0.782 1343 A N -0.699 122.043 122.820 -0.131 0.000 2.067 1343 A HA -0.125 4.188 4.320 -0.011 0.000 0.219 1343 A C 1.334 178.898 177.584 -0.033 0.000 1.158 1343 A CA 0.773 52.769 52.037 -0.068 0.000 0.661 1343 A CB -1.173 17.783 19.000 -0.072 0.000 0.801 1343 A HN 0.105 nan 8.150 nan 0.000 0.452 1344 D N -0.324 120.058 120.400 -0.029 0.000 2.383 1344 D HA 0.093 4.727 4.640 -0.011 0.000 0.252 1344 D C 0.803 177.120 176.300 0.029 0.000 1.166 1344 D CA 0.471 54.471 54.000 0.000 0.000 0.879 1344 D CB 1.222 42.024 40.800 0.003 0.000 1.164 1344 D HN 0.158 nan 8.370 nan 0.000 0.462 1345 T N 2.886 117.456 114.554 0.025 0.000 3.088 1345 T HA -0.091 4.252 4.350 -0.011 0.000 0.259 1345 T C 0.827 175.552 174.700 0.041 0.000 1.122 1345 T CA -0.211 61.908 62.100 0.033 0.000 1.095 1345 T CB -0.085 68.797 68.868 0.023 0.000 0.930 1345 T HN 0.293 nan 8.240 nan 0.000 0.508 1346 N N 3.188 121.913 118.700 0.043 0.000 2.458 1346 N HA 0.056 4.789 4.740 -0.011 0.000 0.258 1346 N C -0.833 174.713 175.510 0.059 0.000 1.219 1346 N CA 0.358 53.435 53.050 0.044 0.000 0.902 1346 N CB 0.232 38.742 38.487 0.039 0.000 1.076 1346 N HN 0.254 nan 8.380 nan 0.000 0.455 1347 N N 2.873 121.605 118.700 0.052 0.000 2.533 1347 N HA 0.142 4.875 4.740 -0.011 0.000 0.289 1347 N C -1.117 174.424 175.510 0.051 0.000 1.103 1347 N CA -0.508 52.579 53.050 0.062 0.000 0.877 1347 N CB 1.195 39.718 38.487 0.060 0.000 1.419 1347 N HN 0.237 nan 8.380 nan 0.000 0.517 1348 V N 2.398 122.344 119.914 0.053 0.000 3.252 1348 V HA 0.198 4.311 4.120 -0.011 0.000 0.350 1348 V C 0.119 176.231 176.094 0.030 0.000 1.329 1348 V CA -0.281 62.036 62.300 0.028 0.000 1.258 1348 V CB -0.963 30.862 31.823 0.004 0.000 1.208 1348 V HN 0.651 nan 8.190 nan 0.000 0.462 1349 D N 0.575 121.008 120.400 0.055 0.000 2.414 1349 D HA 0.347 4.980 4.640 -0.011 0.000 0.242 1349 D C 1.371 177.697 176.300 0.042 0.000 1.129 1349 D CA 1.474 55.513 54.000 0.065 0.000 0.885 1349 D CB 1.347 42.193 40.800 0.077 0.000 1.198 1349 D HN 0.448 nan 8.370 nan 0.000 0.437 1350 G N 2.799 111.623 108.800 0.041 0.000 2.267 1350 G HA2 -0.302 3.651 3.960 -0.011 0.000 0.257 1350 G HA3 -0.302 3.651 3.960 -0.011 0.000 0.257 1350 G C 0.631 175.539 174.900 0.013 0.000 0.998 1350 G CA 0.810 45.925 45.100 0.026 0.000 0.620 1350 G HN 0.601 nan 8.290 nan 0.000 0.529 1351 Q N 0.052 119.856 119.800 0.006 0.000 2.214 1351 Q HA 0.580 4.914 4.340 -0.011 0.000 0.168 1351 Q C 0.688 176.677 176.000 -0.017 0.000 1.047 1351 Q CA 0.279 56.079 55.803 -0.006 0.000 1.102 1351 Q CB 0.381 29.114 28.738 -0.009 0.000 1.458 1351 Q HN 0.552 nan 8.270 nan 0.000 0.561 1352 T N -1.293 113.246 114.554 -0.025 0.000 2.856 1352 T HA 0.631 4.974 4.350 -0.011 0.000 0.283 1352 T C -0.635 174.032 174.700 -0.056 0.000 1.008 1352 T CA -0.906 61.176 62.100 -0.030 0.000 0.997 1352 T CB 0.801 69.659 68.868 -0.016 0.000 0.992 1352 T HN 0.480 nan 8.240 nan 0.000 0.454 1353 I N 0.933 121.454 120.570 -0.081 0.000 2.433 1353 I HA 0.713 4.876 4.170 -0.011 0.000 0.292 1353 I C -3.134 172.952 176.117 -0.051 0.000 1.001 1353 I CA -2.804 58.425 61.300 -0.118 0.000 1.119 1353 I CB 1.904 39.716 38.000 -0.313 0.000 1.289 1353 I HN 0.353 nan 8.210 nan 0.000 0.438 1354 P HA 0.141 nan 4.420 nan 0.000 0.271 1354 P C -0.626 176.690 177.300 0.027 0.000 1.218 1354 P CA -0.345 62.759 63.100 0.007 0.000 0.780 1354 P CB 0.477 32.182 31.700 0.008 0.000 0.901 1355 L N 4.419 125.666 121.223 0.040 0.000 2.578 1355 L HA -0.011 4.322 4.340 -0.011 0.000 0.279 1355 L C 0.904 177.803 176.870 0.048 0.000 1.227 1355 L CA 1.094 55.966 54.840 0.054 0.000 0.900 1355 L CB -1.179 40.911 42.059 0.051 0.000 1.144 1355 L HN 0.473 nan 8.230 nan 0.000 0.496 1356 N N 1.062 119.797 118.700 0.059 0.000 2.909 1356 N HA -0.180 4.553 4.740 -0.011 0.000 0.242 1356 N C -0.119 175.429 175.510 0.063 0.000 0.975 1356 N CA 1.214 54.296 53.050 0.053 0.000 0.921 1356 N CB -1.707 36.799 38.487 0.030 0.000 1.112 1356 N HN 0.745 nan 8.380 nan 0.000 0.581 1357 T N 1.238 115.842 114.554 0.084 0.000 2.902 1357 T HA 0.277 4.621 4.350 -0.011 0.000 0.301 1357 T C 0.946 175.748 174.700 0.169 0.000 1.012 1357 T CA -0.270 61.893 62.100 0.105 0.000 1.151 1357 T CB 1.589 70.515 68.868 0.096 0.000 0.946 1357 T HN -0.024 nan 8.240 nan 0.000 0.542 1358 V N 5.765 125.739 119.914 0.101 0.000 2.488 1358 V HA 0.526 4.639 4.120 -0.011 0.000 0.277 1358 V C -0.018 176.147 176.094 0.118 0.000 1.046 1358 V CA -0.274 62.053 62.300 0.045 0.000 0.986 1358 V CB -0.615 31.196 31.823 -0.020 0.000 0.989 1358 V HN 0.845 nan 8.190 nan 0.000 0.475 1359 F N 2.773 122.669 119.950 -0.091 0.000 2.894 1359 F HA 0.732 5.253 4.527 -0.011 0.000 0.332 1359 F C -0.656 175.076 175.800 -0.114 0.000 1.192 1359 F CA -1.264 56.678 58.000 -0.097 0.000 0.980 1359 F CB 1.738 40.666 39.000 -0.119 0.000 1.448 1359 F HN 0.299 nan 8.300 nan 0.000 0.514 1360 N N -0.382 118.329 118.700 0.019 0.000 2.235 1360 N HA 0.260 4.993 4.740 -0.011 0.000 0.293 1360 N C -2.222 173.306 175.510 0.030 0.000 1.083 1360 N CA -0.459 52.554 53.050 -0.062 0.000 0.801 1360 N CB 2.218 40.848 38.487 0.238 0.000 1.559 1360 N HN 0.482 nan 8.380 nan 0.000 0.472 1361 Y N 0.764 121.084 120.300 0.034 0.000 2.313 1361 Y HA 0.275 4.818 4.550 -0.011 0.000 0.332 1361 Y C 0.885 176.715 175.900 -0.117 0.000 1.071 1361 Y CA -0.507 57.612 58.100 0.032 0.000 1.169 1361 Y CB 0.850 39.309 38.460 -0.003 0.000 1.192 1361 Y HN 0.249 nan 8.280 nan 0.000 0.487 1362 R N 4.830 125.325 120.500 -0.009 0.000 2.215 1362 R HA 0.467 4.801 4.340 -0.011 0.000 0.336 1362 R C -1.620 174.529 176.300 -0.252 0.000 0.996 1362 R CA -0.399 55.472 56.100 -0.383 0.000 0.847 1362 R CB 0.085 30.127 30.300 -0.430 0.000 1.127 1362 R HN 0.742 nan 8.270 nan 0.000 0.465 1363 L N 7.261 128.268 121.223 -0.359 0.000 2.287 1363 L HA 0.390 4.723 4.340 -0.011 0.000 0.280 1363 L C -0.155 176.617 176.870 -0.162 0.000 1.055 1363 L CA -0.469 54.078 54.840 -0.487 0.000 0.863 1363 L CB 1.011 42.514 42.059 -0.927 0.000 1.245 1363 L HN 0.558 nan 8.230 nan 0.000 0.432 1364 I N 2.848 123.477 120.570 0.098 0.000 2.301 1364 I HA 0.224 4.387 4.170 -0.011 0.000 0.292 1364 I C 1.249 177.608 176.117 0.404 0.000 1.046 1364 I CA -0.129 61.312 61.300 0.235 0.000 1.282 1364 I CB 1.177 39.267 38.000 0.151 0.000 1.409 1364 I HN 0.571 nan 8.210 nan 0.000 0.484 1365 G N 4.357 113.453 108.800 0.493 0.000 2.636 1365 G HA2 0.354 4.307 3.960 -0.011 0.000 0.246 1365 G HA3 0.354 4.307 3.960 -0.011 0.000 0.246 1365 G C 0.399 175.428 174.900 0.215 0.000 1.216 1365 G CA -0.358 44.965 45.100 0.370 0.000 0.854 1365 G HN 0.735 nan 8.290 nan 0.000 0.572 1366 G N -1.072 107.750 108.800 0.035 0.000 2.527 1366 G HA2 0.420 4.373 3.960 -0.011 0.000 0.248 1366 G HA3 0.420 4.373 3.960 -0.011 0.000 0.248 1366 G C -0.050 174.909 174.900 0.097 0.000 1.231 1366 G CA -0.691 44.393 45.100 -0.026 0.000 0.838 1366 G HN 0.612 nan 8.290 nan 0.000 0.570 1367 I N 1.266 121.861 120.570 0.041 0.000 2.337 1367 I HA 0.169 4.332 4.170 -0.011 0.000 0.291 1367 I C 0.063 176.205 176.117 0.042 0.000 1.046 1367 I CA 0.021 61.357 61.300 0.060 0.000 1.324 1367 I CB 0.907 38.927 38.000 0.033 0.000 1.409 1367 I HN 0.176 nan 8.210 nan 0.000 0.494 1368 I N 9.231 129.849 120.570 0.081 0.000 2.304 1368 I HA 0.310 4.474 4.170 -0.011 0.000 0.291 1368 I C -2.228 173.912 176.117 0.038 0.000 1.018 1368 I CA -1.835 59.472 61.300 0.011 0.000 1.260 1368 I CB 0.914 38.876 38.000 -0.063 0.000 1.390 1368 I HN 0.279 nan 8.210 nan 0.000 0.475 1369 P HA 0.259 nan 4.420 nan 0.000 0.278 1369 P C -0.458 176.977 177.300 0.225 0.000 1.258 1369 P CA -0.475 62.691 63.100 0.110 0.000 0.811 1369 P CB 0.751 32.498 31.700 0.078 0.000 1.063 1370 A N 1.684 124.600 122.820 0.161 0.000 2.429 1370 A HA 0.199 4.512 4.320 -0.011 0.000 0.242 1370 A C 0.738 178.361 177.584 0.064 0.000 1.088 1370 A CA 0.447 52.561 52.037 0.129 0.000 0.784 1370 A CB -1.122 17.910 19.000 0.052 0.000 1.038 1370 A HN 0.741 nan 8.150 nan 0.000 0.501 1371 N N -0.276 118.370 118.700 -0.091 0.000 2.746 1371 N HA -0.155 4.579 4.740 -0.011 0.000 0.250 1371 N C -0.206 175.256 175.510 -0.080 0.000 1.055 1371 N CA 1.316 54.294 53.050 -0.120 0.000 0.699 1371 N CB -1.714 36.749 38.487 -0.040 0.000 0.919 1371 N HN 0.965 nan 8.380 nan 0.000 0.548 1372 H N -2.085 116.987 119.070 0.003 0.000 2.525 1372 H HA 0.547 5.096 4.556 -0.012 0.000 0.340 1372 H C 1.190 176.525 175.328 0.011 0.000 1.168 1372 H CA -0.155 55.898 56.048 0.008 0.000 1.247 1372 H CB 1.095 30.859 29.762 0.004 0.000 1.568 1372 H HN 0.198 nan 8.280 nan 0.000 0.536 1373 S N 0.339 116.134 115.700 0.157 0.000 2.470 1373 S HA 0.012 4.476 4.470 -0.011 0.000 0.225 1373 S C 0.270 174.934 174.600 0.108 0.000 1.006 1373 S CA 0.078 58.335 58.200 0.095 0.000 0.934 1373 S CB 0.068 63.326 63.200 0.098 0.000 0.778 1373 S HN 0.626 nan 8.310 nan 0.000 0.517 1374 E N 1.097 121.395 120.200 0.164 0.000 2.369 1374 E HA 0.379 4.722 4.350 -0.011 0.000 0.270 1374 E C -0.843 175.865 176.600 0.180 0.000 0.909 1374 E CA -0.728 55.763 56.400 0.152 0.000 0.775 1374 E CB 1.156 30.953 29.700 0.162 0.000 1.270 1374 E HN 0.244 nan 8.360 nan 0.000 0.445 1375 E N 1.057 121.334 120.200 0.128 0.000 2.436 1375 E HA 0.049 4.393 4.350 -0.011 0.000 0.262 1375 E C 0.071 176.700 176.600 0.048 0.000 1.063 1375 E CA 0.193 56.648 56.400 0.090 0.000 0.944 1375 E CB 0.495 30.241 29.700 0.076 0.000 0.950 1375 E HN 0.298 nan 8.360 nan 0.000 0.444 1376 L N 3.045 124.212 121.223 -0.094 0.000 2.331 1376 L HA 0.112 4.445 4.340 -0.011 0.000 0.278 1376 L C 0.915 177.722 176.870 -0.105 0.000 1.106 1376 L CA -0.141 54.553 54.840 -0.244 0.000 0.824 1376 L CB -0.022 41.752 42.059 -0.474 0.000 1.142 1376 L HN 0.580 nan 8.230 nan 0.000 0.443 1377 F N -0.333 119.574 119.950 -0.071 0.000 2.817 1377 F HA 0.452 4.979 4.527 0.000 0.000 0.333 1377 F C 0.245 176.060 175.800 0.025 0.000 1.085 1377 F CA -0.592 57.393 58.000 -0.026 0.000 1.170 1377 F CB 0.326 39.322 39.000 -0.007 0.000 1.066 1377 F HN 0.402 nan 8.300 nan 0.000 0.564 1378 E N 0.167 120.198 120.200 -0.282 0.000 2.321 1378 E HA 0.338 4.681 4.350 -0.011 0.000 0.281 1378 E C -2.246 174.354 176.600 0.000 0.000 0.910 1378 E CA -0.711 55.659 56.400 -0.049 0.000 0.770 1378 E CB 2.219 31.904 29.700 -0.025 0.000 1.225 1378 E HN 0.250 nan 8.360 nan 0.000 0.417 1379 Y N 4.311 124.625 120.300 0.024 0.000 2.347 1379 Y HA 0.374 4.916 4.550 -0.012 0.000 0.339 1379 Y C -1.669 174.325 175.900 0.156 0.000 1.152 1379 Y CA -0.699 57.428 58.100 0.045 0.000 1.321 1379 Y CB 0.712 39.200 38.460 0.046 0.000 1.137 1379 Y HN 0.469 nan 8.280 nan 0.000 0.486 1380 N N 4.334 123.029 118.700 -0.009 0.000 2.335 1380 N HA 0.510 5.243 4.740 -0.011 0.000 0.304 1380 N C -1.658 173.796 175.510 -0.094 0.000 1.135 1380 N CA -0.508 52.592 53.050 0.084 0.000 0.817 1380 N CB 1.485 40.042 38.487 0.116 0.000 1.294 1380 N HN 0.414 nan 8.380 nan 0.000 0.497 1381 F N 1.276 121.344 119.950 0.198 0.000 2.382 1381 F HA 0.282 4.803 4.527 -0.010 0.000 0.361 1381 F C -0.390 175.550 175.800 0.235 0.000 1.109 1381 F CA -1.046 57.114 58.000 0.268 0.000 1.031 1381 F CB 0.857 39.872 39.000 0.025 0.000 1.234 1381 F HN 0.363 nan 8.300 nan 0.000 0.445 1382 Y N 3.448 123.945 120.300 0.328 0.000 2.330 1382 Y HA 0.508 5.052 4.550 -0.009 0.000 0.336 1382 Y C -0.947 175.076 175.900 0.207 0.000 1.036 1382 Y CA -0.725 57.481 58.100 0.176 0.000 1.125 1382 Y CB 1.113 39.626 38.460 0.087 0.000 1.194 1382 Y HN 0.513 nan 8.280 nan 0.000 0.469 1383 D N 5.130 125.210 120.400 -0.534 0.000 2.479 1383 D HA 0.083 4.716 4.640 -0.011 0.000 0.246 1383 D C -1.938 174.074 176.300 -0.481 0.000 1.336 1383 D CA -0.374 53.423 54.000 -0.337 0.000 0.967 1383 D CB 1.048 41.799 40.800 -0.082 0.000 1.275 1383 D HN 0.690 nan 8.370 nan 0.000 0.577 1384 D N 4.022 124.117 120.400 -0.508 0.000 2.479 1384 D HA 0.105 4.738 4.640 -0.011 0.000 0.218 1384 D C -0.371 175.819 176.300 -0.184 0.000 1.131 1384 D CA -0.288 53.490 54.000 -0.369 0.000 0.916 1384 D CB -0.170 40.499 40.800 -0.218 0.000 1.022 1384 D HN 0.345 nan 8.370 nan 0.000 0.515 1385 Y N 0.372 120.605 120.300 -0.112 0.000 2.392 1385 Y HA 0.460 5.003 4.550 -0.011 0.000 0.323 1385 Y C 0.345 176.257 175.900 0.020 0.000 1.291 1385 Y CA -1.315 56.768 58.100 -0.029 0.000 1.345 1385 Y CB 0.448 38.926 38.460 0.030 0.000 1.320 1385 Y HN 0.021 nan 8.280 nan 0.000 0.518 1386 D N 2.073 122.598 120.400 0.208 0.000 2.422 1386 D HA 0.000 4.633 4.640 -0.011 0.000 0.227 1386 D C 0.695 177.079 176.300 0.140 0.000 1.190 1386 D CA -0.391 53.686 54.000 0.129 0.000 0.905 1386 D CB 0.736 41.667 40.800 0.219 0.000 1.034 1386 D HN 0.738 nan 8.370 nan 0.000 0.507 1387 Q N 2.123 121.956 119.800 0.055 0.000 2.515 1387 Q HA -0.075 4.258 4.340 -0.011 0.000 0.212 1387 Q C 0.748 176.786 176.000 0.063 0.000 0.970 1387 Q CA 0.643 56.526 55.803 0.133 0.000 0.941 1387 Q CB -0.472 28.318 28.738 0.087 0.000 0.998 1387 Q HN 0.266 nan 8.270 nan 0.000 0.518 1388 T N 0.260 114.834 114.554 0.034 0.000 2.915 1388 T HA 0.012 4.355 4.350 -0.011 0.000 0.269 1388 T C 1.533 176.155 174.700 -0.130 0.000 1.071 1388 T CA 1.436 63.563 62.100 0.044 0.000 1.132 1388 T CB -0.045 68.925 68.868 0.169 0.000 0.878 1388 T HN 0.648 nan 8.240 nan 0.000 0.479 1389 G N 0.115 108.601 108.800 -0.524 0.000 2.739 1389 G HA2 0.130 4.084 3.960 -0.011 0.000 0.200 1389 G HA3 0.130 4.084 3.960 -0.011 0.000 0.200 1389 G C -0.216 174.388 174.900 -0.492 0.000 1.069 1389 G CA -0.239 44.092 45.100 -1.282 0.000 0.768 1389 G HN 0.288 nan 8.290 nan 0.000 0.565 1390 D N 0.235 120.543 120.400 -0.153 0.000 2.308 1390 D HA 0.375 5.009 4.640 -0.011 0.000 0.242 1390 D C -1.263 175.139 176.300 0.169 0.000 1.059 1390 D CA -0.380 53.660 54.000 0.068 0.000 0.830 1390 D CB 1.863 42.784 40.800 0.203 0.000 1.161 1390 D HN 0.245 nan 8.370 nan 0.000 0.494 1391 H N 1.961 121.023 119.070 -0.013 0.000 2.541 1391 H HA 0.184 4.733 4.556 -0.011 0.000 0.316 1391 H C -1.119 174.161 175.328 -0.080 0.000 1.043 1391 H CA -0.692 55.366 56.048 0.018 0.000 1.232 1391 H CB 0.237 29.993 29.762 -0.010 0.000 1.406 1391 H HN 0.257 nan 8.280 nan 0.000 0.469 1392 Y N 4.604 124.544 120.300 -0.599 0.000 2.569 1392 Y HA 0.046 4.590 4.550 -0.011 0.000 0.332 1392 Y C 1.398 176.842 175.900 -0.759 0.000 1.120 1392 Y CA 0.713 58.415 58.100 -0.663 0.000 1.416 1392 Y CB 0.684 38.866 38.460 -0.464 0.000 1.210 1392 Y HN 0.848 nan 8.280 nan 0.000 0.528 1393 T N 1.354 115.333 114.554 -0.958 0.000 3.088 1393 T HA 0.205 4.548 4.350 -0.011 0.000 0.259 1393 T C 1.437 175.645 174.700 -0.819 0.000 1.122 1393 T CA 0.611 62.265 62.100 -0.743 0.000 1.095 1393 T CB -0.459 68.156 68.868 -0.421 0.000 0.930 1393 T HN 1.369 nan 8.240 nan 0.000 0.508 1394 G N 0.652 108.510 108.800 -1.571 0.000 2.176 1394 G HA2 -0.179 3.775 3.960 -0.011 0.000 0.232 1394 G HA3 -0.179 3.775 3.960 -0.011 0.000 0.232 1394 G C -0.180 174.450 174.900 -0.450 0.000 0.986 1394 G CA -0.164 44.380 45.100 -0.928 0.000 0.643 1394 G HN 0.638 nan 8.290 nan 0.000 0.522 1395 Q N -0.105 119.439 119.800 -0.426 0.000 2.307 1395 Q HA 0.653 4.986 4.340 -0.011 0.000 0.262 1395 Q C -0.429 175.638 176.000 0.112 0.000 0.961 1395 Q CA -0.693 55.036 55.803 -0.123 0.000 0.882 1395 Q CB 1.532 30.174 28.738 -0.160 0.000 1.264 1395 Q HN 0.845 nan 8.270 nan 0.000 0.446 1396 Y N -0.663 119.643 120.300 0.010 0.000 2.553 1396 Y HA 0.770 5.314 4.550 -0.011 0.000 0.347 1396 Y C -1.030 174.813 175.900 -0.095 0.000 1.019 1396 Y CA -1.041 57.058 58.100 -0.001 0.000 1.032 1396 Y CB 1.816 40.275 38.460 -0.001 0.000 1.284 1396 Y HN 0.208 nan 8.280 nan 0.000 0.466 1397 K N 2.393 122.720 120.400 -0.121 0.000 2.443 1397 K HA 0.748 5.062 4.320 -0.011 0.000 0.251 1397 K C -1.724 174.715 176.600 -0.268 0.000 0.972 1397 K CA -1.150 54.913 56.287 -0.373 0.000 0.833 1397 K CB 3.085 35.348 32.500 -0.395 0.000 1.317 1397 K HN 0.619 nan 8.250 nan 0.000 0.441 1398 V N 2.076 121.666 119.914 -0.540 0.000 2.709 1398 V HA 0.560 4.674 4.120 -0.011 0.000 0.308 1398 V C -1.208 174.554 176.094 -0.554 0.000 1.062 1398 V CA -0.839 61.243 62.300 -0.363 0.000 0.901 1398 V CB 1.295 32.983 31.823 -0.226 0.000 1.003 1398 V HN 0.588 nan 8.190 nan 0.000 0.425 1399 F N 1.434 121.462 119.950 0.130 0.000 2.576 1399 F HA 0.798 5.319 4.527 -0.011 0.000 0.313 1399 F C 0.538 176.415 175.800 0.129 0.000 1.078 1399 F CA -0.821 57.255 58.000 0.126 0.000 0.921 1399 F CB 1.821 40.899 39.000 0.130 0.000 1.232 1399 F HN 0.594 nan 8.300 nan 0.000 0.459 1400 A N 1.749 124.741 122.820 0.285 0.000 2.462 1400 A HA 0.381 4.694 4.320 -0.011 0.000 0.243 1400 A C 0.860 178.509 177.584 0.108 0.000 1.076 1400 A CA -0.130 51.978 52.037 0.118 0.000 0.773 1400 A CB 0.577 19.633 19.000 0.092 0.000 1.010 1400 A HN 0.855 nan 8.150 nan 0.000 0.493 1401 K N 0.697 121.110 120.400 0.020 0.000 2.367 1401 K HA 0.239 4.552 4.320 -0.011 0.000 0.195 1401 K C 0.066 176.670 176.600 0.007 0.000 1.060 1401 K CA 1.088 57.401 56.287 0.042 0.000 1.022 1401 K CB 0.365 32.903 32.500 0.063 0.000 0.894 1401 K HN 0.823 nan 8.250 nan 0.000 0.540 1402 V N -1.873 118.019 119.914 -0.036 0.000 3.141 1402 V HA 0.535 4.648 4.120 -0.011 0.000 0.312 1402 V C -1.092 174.992 176.094 -0.017 0.000 1.157 1402 V CA -1.379 60.909 62.300 -0.020 0.000 1.041 1402 V CB 1.566 33.373 31.823 -0.027 0.000 1.071 1402 V HN -0.143 nan 8.190 nan 0.000 0.441 1403 D N 1.571 121.975 120.400 0.006 0.000 2.458 1403 D HA 0.446 5.079 4.640 -0.011 0.000 0.243 1403 D C -0.393 175.917 176.300 0.017 0.000 1.146 1403 D CA 0.899 54.911 54.000 0.020 0.000 0.877 1403 D CB 0.703 41.519 40.800 0.027 0.000 1.176 1403 D HN 0.574 nan 8.370 nan 0.000 0.461 1404 I N 3.113 123.703 120.570 0.033 0.000 2.389 1404 I HA 0.303 4.466 4.170 -0.011 0.000 0.288 1404 I C -0.069 176.084 176.117 0.060 0.000 0.999 1404 I CA -0.683 60.647 61.300 0.051 0.000 1.129 1404 I CB 1.322 39.365 38.000 0.071 0.000 1.288 1404 I HN 0.092 nan 8.210 nan 0.000 0.444 1405 I N 6.787 127.384 120.570 0.044 0.000 2.359 1405 I HA 0.377 4.541 4.170 -0.011 0.000 0.294 1405 I C -0.101 176.014 176.117 -0.003 0.000 0.987 1405 I CA -0.406 60.910 61.300 0.026 0.000 1.225 1405 I CB 1.035 39.046 38.000 0.019 0.000 1.366 1405 I HN 0.312 nan 8.210 nan 0.000 0.466 1406 L N 5.379 126.595 121.223 -0.012 0.000 2.431 1406 L HA 0.396 4.730 4.340 -0.011 0.000 0.260 1406 L C 1.347 178.192 176.870 -0.042 0.000 1.098 1406 L CA -0.829 53.977 54.840 -0.057 0.000 0.800 1406 L CB 0.696 42.727 42.059 -0.048 0.000 1.210 1406 L HN 0.579 nan 8.230 nan 0.000 0.465 1407 K N 0.792 121.157 120.400 -0.059 0.000 2.209 1407 K HA -0.144 4.169 4.320 -0.011 0.000 0.204 1407 K C 1.341 177.929 176.600 -0.021 0.000 1.048 1407 K CA 1.399 57.661 56.287 -0.042 0.000 0.940 1407 K CB -0.124 32.347 32.500 -0.048 0.000 0.729 1407 K HN 0.607 nan 8.250 nan 0.000 0.451 1408 N N -0.659 118.034 118.700 -0.011 0.000 2.398 1408 N HA 0.003 4.736 4.740 -0.011 0.000 0.188 1408 N C 0.981 176.498 175.510 0.012 0.000 1.122 1408 N CA 0.994 54.047 53.050 0.005 0.000 0.866 1408 N CB 0.725 39.222 38.487 0.016 0.000 0.970 1408 N HN 0.217 nan 8.380 nan 0.000 0.462 1409 G N -0.773 108.032 108.800 0.010 0.000 2.213 1409 G HA2 -0.259 3.694 3.960 -0.011 0.000 0.226 1409 G HA3 -0.259 3.694 3.960 -0.011 0.000 0.226 1409 G C -0.182 174.734 174.900 0.027 0.000 0.992 1409 G CA 0.073 45.183 45.100 0.015 0.000 0.632 1409 G HN 0.299 nan 8.290 nan 0.000 0.511 1410 V N 1.997 121.933 119.914 0.038 0.000 2.788 1410 V HA 0.306 4.420 4.120 -0.011 0.000 0.307 1410 V C 0.967 177.096 176.094 0.058 0.000 1.069 1410 V CA 0.735 63.069 62.300 0.057 0.000 1.173 1410 V CB 1.118 32.991 31.823 0.082 0.000 0.925 1410 V HN 0.337 nan 8.190 nan 0.000 0.492 1411 I N 5.593 126.202 120.570 0.064 0.000 2.389 1411 I HA 0.440 4.603 4.170 -0.011 0.000 0.288 1411 I C -0.359 175.810 176.117 0.087 0.000 0.999 1411 I CA -0.393 60.946 61.300 0.064 0.000 1.129 1411 I CB 1.740 39.770 38.000 0.049 0.000 1.288 1411 I HN 0.425 nan 8.210 nan 0.000 0.444 1412 I N 6.760 127.393 120.570 0.105 0.000 2.297 1412 I HA 0.229 4.392 4.170 -0.011 0.000 0.291 1412 I C 0.086 176.260 176.117 0.095 0.000 1.033 1412 I CA -0.806 60.571 61.300 0.128 0.000 1.253 1412 I CB 0.552 38.669 38.000 0.194 0.000 1.396 1412 I HN 0.356 nan 8.210 nan 0.000 0.476 1413 K N 4.050 124.500 120.400 0.085 0.000 2.270 1413 K HA 0.192 4.506 4.320 -0.011 0.000 0.276 1413 K C 0.242 176.881 176.600 0.066 0.000 1.023 1413 K CA -0.231 56.093 56.287 0.063 0.000 0.955 1413 K CB 1.209 33.741 32.500 0.052 0.000 0.975 1413 K HN 0.516 nan 8.250 nan 0.000 0.471 1414 S N 0.583 116.311 115.700 0.047 0.000 2.599 1414 S HA 0.087 4.551 4.470 -0.011 0.000 0.303 1414 S C 1.279 175.911 174.600 0.054 0.000 1.267 1414 S CA 1.637 59.864 58.200 0.045 0.000 1.055 1414 S CB -0.350 62.867 63.200 0.028 0.000 0.790 1414 S HN 0.795 nan 8.310 nan 0.000 0.500 1415 G N 3.296 112.143 108.800 0.078 0.000 2.199 1415 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.254 1415 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.254 1415 G C 0.264 175.251 174.900 0.146 0.000 0.982 1415 G CA 0.350 45.479 45.100 0.049 0.000 0.632 1415 G HN 0.909 nan 8.290 nan 0.000 0.529 1416 T N 0.954 115.619 114.554 0.185 0.000 2.907 1416 T HA 0.439 4.782 4.350 -0.011 0.000 0.298 1416 T C 0.360 175.253 174.700 0.321 0.000 1.017 1416 T CA 0.225 62.456 62.100 0.218 0.000 1.118 1416 T CB 1.736 70.696 68.868 0.152 0.000 0.948 1416 T HN 0.462 nan 8.240 nan 0.000 0.531 1417 E N 2.068 122.431 120.200 0.272 0.000 2.344 1417 E HA 0.130 4.473 4.350 -0.011 0.000 0.270 1417 E C 0.154 176.732 176.600 -0.037 0.000 1.021 1417 E CA -0.143 56.270 56.400 0.023 0.000 0.887 1417 E CB 0.302 29.938 29.700 -0.106 0.000 0.997 1417 E HN 0.559 nan 8.360 nan 0.000 0.429 1418 L N 3.743 124.911 121.223 -0.090 0.000 2.766 1418 L HA 0.073 4.406 4.340 -0.011 0.000 0.242 1418 L C 1.690 178.492 176.870 -0.113 0.000 1.136 1418 L CA -0.045 54.822 54.840 0.045 0.000 0.933 1418 L CB 0.264 42.504 42.059 0.301 0.000 1.241 1418 L HN 0.642 nan 8.230 nan 0.000 0.522 1419 T N 0.621 115.010 114.554 -0.275 0.000 2.721 1419 T HA -0.305 4.038 4.350 -0.011 0.000 0.268 1419 T C 1.821 176.359 174.700 -0.270 0.000 1.038 1419 T CA 2.228 64.139 62.100 -0.314 0.000 1.145 1419 T CB -0.198 68.401 68.868 -0.448 0.000 0.858 1419 T HN 0.589 nan 8.240 nan 0.000 0.459 1420 Q N -0.018 119.571 119.800 -0.351 0.000 2.297 1420 Q HA -0.141 4.193 4.340 -0.011 0.000 0.208 1420 Q C 0.851 176.635 176.000 -0.360 0.000 0.981 1420 Q CA 1.448 57.012 55.803 -0.398 0.000 0.876 1420 Q CB -0.512 27.891 28.738 -0.559 0.000 0.921 1420 Q HN 0.564 nan 8.270 nan 0.000 0.446 1421 Y N 1.734 121.935 120.300 -0.165 0.000 2.583 1421 Y HA 0.256 4.799 4.550 -0.011 0.000 0.294 1421 Y C 0.228 176.108 175.900 -0.034 0.000 1.170 1421 Y CA 0.099 58.118 58.100 -0.134 0.000 1.265 1421 Y CB 0.407 38.563 38.460 -0.506 0.000 1.119 1421 Y HN 0.199 nan 8.280 nan 0.000 0.522 1422 T N -2.918 111.647 114.554 0.018 0.000 2.896 1422 T HA 0.741 5.085 4.350 -0.011 0.000 0.297 1422 T C -0.124 174.621 174.700 0.075 0.000 1.108 1422 T CA -0.665 61.424 62.100 -0.019 0.000 1.004 1422 T CB 2.548 71.326 68.868 -0.150 0.000 1.159 1422 T HN 0.026 nan 8.240 nan 0.000 0.499 1423 T N -1.096 113.504 114.554 0.077 0.000 2.888 1423 T HA 0.865 5.208 4.350 -0.011 0.000 0.288 1423 T C -0.517 174.180 174.700 -0.004 0.000 1.063 1423 T CA -0.951 61.205 62.100 0.094 0.000 1.010 1423 T CB 1.519 70.433 68.868 0.076 0.000 1.214 1423 T HN 1.332 nan 8.240 nan 0.000 0.533 1424 A N 0.756 123.558 122.820 -0.029 0.000 2.356 1424 A HA 0.701 5.015 4.320 -0.011 0.000 0.310 1424 A C -0.479 177.079 177.584 -0.043 0.000 1.075 1424 A CA -0.806 51.127 52.037 -0.173 0.000 0.746 1424 A CB 1.144 19.889 19.000 -0.426 0.000 1.221 1424 A HN 0.974 nan 8.150 nan 0.000 0.443 1425 E N 2.316 122.498 120.200 -0.030 0.000 2.146 1425 E HA 0.525 4.868 4.350 -0.011 0.000 0.282 1425 E C -1.290 175.312 176.600 0.005 0.000 0.989 1425 E CA -0.405 56.003 56.400 0.014 0.000 0.799 1425 E CB 1.098 30.823 29.700 0.042 0.000 1.088 1425 E HN 0.371 nan 8.360 nan 0.000 0.397 1426 V N 4.488 124.419 119.914 0.028 0.000 2.417 1426 V HA 0.245 4.358 4.120 -0.011 0.000 0.291 1426 V C -0.436 175.690 176.094 0.053 0.000 1.024 1426 V CA -0.807 61.516 62.300 0.039 0.000 0.861 1426 V CB 1.608 33.490 31.823 0.099 0.000 0.985 1426 V HN 0.735 nan 8.190 nan 0.000 0.436 1427 D N 2.938 123.363 120.400 0.043 0.000 2.462 1427 D HA 0.213 4.846 4.640 -0.011 0.000 0.249 1427 D C 0.904 177.225 176.300 0.035 0.000 1.117 1427 D CA -0.050 53.973 54.000 0.039 0.000 0.900 1427 D CB 1.980 42.800 40.800 0.033 0.000 1.039 1427 D HN 0.576 nan 8.370 nan 0.000 0.516 1428 T N 1.455 116.047 114.554 0.063 0.000 2.770 1428 T HA -0.124 4.219 4.350 -0.011 0.000 0.263 1428 T C 1.707 176.438 174.700 0.052 0.000 1.039 1428 T CA 1.886 64.040 62.100 0.090 0.000 1.142 1428 T CB 0.101 69.034 68.868 0.109 0.000 0.868 1428 T HN 0.361 nan 8.240 nan 0.000 0.435 1429 T N 1.434 116.010 114.554 0.037 0.000 2.653 1429 T HA -0.158 4.185 4.350 -0.011 0.000 0.268 1429 T C 1.892 176.589 174.700 -0.005 0.000 1.035 1429 T CA 1.976 64.088 62.100 0.021 0.000 1.154 1429 T CB -0.297 68.584 68.868 0.021 0.000 0.862 1429 T HN 0.490 nan 8.240 nan 0.000 0.441 1430 K N 0.427 120.814 120.400 -0.022 0.000 2.418 1430 K HA 0.158 4.471 4.320 -0.011 0.000 0.195 1430 K C 0.890 177.398 176.600 -0.154 0.000 1.035 1430 K CA 0.668 56.921 56.287 -0.057 0.000 1.003 1430 K CB -0.067 32.415 32.500 -0.030 0.000 0.793 1430 K HN 0.362 nan 8.250 nan 0.000 0.494 1431 G N 0.688 109.380 108.800 -0.179 0.000 2.385 1431 G HA2 -0.129 3.824 3.960 -0.011 0.000 0.294 1431 G HA3 -0.129 3.824 3.960 -0.011 0.000 0.294 1431 G C -0.293 174.119 174.900 -0.814 0.000 1.070 1431 G CA 0.242 45.073 45.100 -0.448 0.000 1.172 1431 G HN 0.616 nan 8.290 nan 0.000 0.516 1432 A N 0.115 122.729 122.820 -0.344 0.000 2.606 1432 A HA 0.942 5.255 4.320 -0.011 0.000 0.293 1432 A C -0.692 176.838 177.584 -0.090 0.000 1.082 1432 A CA -0.152 51.724 52.037 -0.268 0.000 0.685 1432 A CB 1.938 20.800 19.000 -0.231 0.000 1.284 1432 A HN 1.840 nan 8.150 nan 0.000 0.408 1433 I N 0.350 120.819 120.570 -0.169 0.000 2.692 1433 I HA 0.605 4.768 4.170 -0.011 0.000 0.293 1433 I C -1.276 174.759 176.117 -0.136 0.000 1.200 1433 I CA -0.104 61.083 61.300 -0.188 0.000 1.036 1433 I CB 2.406 40.157 38.000 -0.414 0.000 1.258 1433 I HN 0.572 nan 8.210 nan 0.000 0.421 1434 T N 7.977 122.512 114.554 -0.031 0.000 2.842 1434 T HA 0.521 4.864 4.350 -0.011 0.000 0.308 1434 T C -0.196 174.488 174.700 -0.028 0.000 1.041 1434 T CA -0.208 61.939 62.100 0.079 0.000 0.964 1434 T CB 0.517 69.510 68.868 0.207 0.000 0.972 1434 T HN 0.301 nan 8.240 nan 0.000 0.460 1435 I N 3.645 124.186 120.570 -0.049 0.000 2.352 1435 I HA 0.321 4.484 4.170 -0.011 0.000 0.290 1435 I C 0.321 176.513 176.117 0.125 0.000 1.036 1435 I CA -0.322 60.894 61.300 -0.140 0.000 1.336 1435 I CB 0.696 38.490 38.000 -0.343 0.000 1.407 1435 I HN 0.306 nan 8.210 nan 0.000 0.497 1436 K N 5.948 126.385 120.400 0.062 0.000 2.397 1436 K HA 0.481 4.794 4.320 -0.011 0.000 0.253 1436 K C -1.002 175.685 176.600 0.145 0.000 0.932 1436 K CA -0.553 55.834 56.287 0.167 0.000 0.795 1436 K CB 1.829 34.417 32.500 0.147 0.000 1.159 1436 K HN 0.188 nan 8.250 nan 0.000 0.424 1437 F N 2.447 122.591 119.950 0.323 0.000 2.484 1437 F HA 0.135 4.654 4.527 -0.012 0.000 0.360 1437 F C 0.851 176.805 175.800 0.256 0.000 1.101 1437 F CA -0.064 58.128 58.000 0.320 0.000 1.251 1437 F CB 0.628 39.858 39.000 0.384 0.000 1.132 1437 F HN 0.202 nan 8.300 nan 0.000 0.570 1438 K N 2.657 123.324 120.400 0.445 0.000 2.448 1438 K HA -0.043 4.270 4.320 -0.011 0.000 0.278 1438 K C 1.163 177.962 176.600 0.333 0.000 1.009 1438 K CA -0.031 56.454 56.287 0.330 0.000 0.995 1438 K CB 0.573 33.255 32.500 0.302 0.000 0.917 1438 K HN 0.716 nan 8.250 nan 0.000 0.481 1439 E N 2.825 123.170 120.200 0.241 0.000 2.153 1439 E HA -0.249 4.094 4.350 -0.011 0.000 0.194 1439 E C 1.647 178.332 176.600 0.143 0.000 0.988 1439 E CA 1.233 57.748 56.400 0.192 0.000 0.811 1439 E CB 0.095 29.898 29.700 0.173 0.000 0.746 1439 E HN 0.735 nan 8.360 nan 0.000 0.466 1440 A N 0.911 123.828 122.820 0.162 0.000 1.865 1440 A HA -0.204 4.109 4.320 -0.011 0.000 0.217 1440 A C 2.008 179.659 177.584 0.112 0.000 1.191 1440 A CA 1.512 53.627 52.037 0.129 0.000 0.623 1440 A CB -1.018 18.075 19.000 0.154 0.000 0.826 1440 A HN 0.543 nan 8.150 nan 0.000 0.444 1441 F N 0.670 120.636 119.950 0.027 0.000 2.102 1441 F HA -0.155 4.365 4.527 -0.012 0.000 0.298 1441 F C 1.932 177.622 175.800 -0.183 0.000 1.105 1441 F CA 1.773 59.704 58.000 -0.116 0.000 1.239 1441 F CB -0.377 38.525 39.000 -0.162 0.000 0.991 1441 F HN 0.146 nan 8.300 nan 0.000 0.474 1442 L N 0.229 121.300 121.223 -0.253 0.000 2.013 1442 L HA -0.257 4.076 4.340 -0.011 0.000 0.212 1442 L C 2.629 179.248 176.870 -0.418 0.000 1.073 1442 L CA 1.688 56.224 54.840 -0.507 0.000 0.753 1442 L CB -0.705 41.188 42.059 -0.276 0.000 0.890 1442 L HN 0.103 nan 8.230 nan 0.000 0.432 1443 R N -0.360 120.019 120.500 -0.202 0.000 2.285 1443 R HA -0.085 4.249 4.340 -0.011 0.000 0.213 1443 R C 2.310 178.509 176.300 -0.169 0.000 1.068 1443 R CA 1.241 57.262 56.100 -0.131 0.000 1.004 1443 R CB -0.207 30.074 30.300 -0.033 0.000 0.873 1443 R HN 0.440 nan 8.270 nan 0.000 0.467 1444 S N -0.285 115.261 115.700 -0.257 0.000 2.558 1444 S HA 0.054 4.517 4.470 -0.011 0.000 0.217 1444 S C 0.835 175.259 174.600 -0.294 0.000 0.975 1444 S CA -0.353 57.708 58.200 -0.232 0.000 0.912 1444 S CB 0.171 63.250 63.200 -0.203 0.000 0.776 1444 S HN -0.107 nan 8.310 nan 0.000 0.526 1445 V N 2.664 122.338 119.914 -0.401 0.000 2.686 1445 V HA 0.306 4.419 4.120 -0.011 0.000 0.295 1445 V C 0.807 176.812 176.094 -0.148 0.000 1.055 1445 V CA -0.391 61.718 62.300 -0.317 0.000 1.050 1445 V CB 1.215 32.787 31.823 -0.418 0.000 0.984 1445 V HN 0.497 nan 8.190 nan 0.000 0.482 1446 S N 3.209 118.858 115.700 -0.085 0.000 2.549 1446 S HA 0.120 4.583 4.470 -0.011 0.000 0.283 1446 S C 1.160 175.720 174.600 -0.067 0.000 1.320 1446 S CA -0.369 57.792 58.200 -0.065 0.000 1.058 1446 S CB 0.282 63.453 63.200 -0.048 0.000 0.882 1446 S HN 0.640 nan 8.310 nan 0.000 0.498 1447 I N 1.948 122.429 120.570 -0.149 0.000 2.756 1447 I HA 0.067 4.230 4.170 -0.011 0.000 0.262 1447 I C 0.863 176.627 176.117 -0.588 0.000 1.225 1447 I CA 1.316 62.348 61.300 -0.446 0.000 1.472 1447 I CB -0.238 37.552 38.000 -0.349 0.000 1.094 1447 I HN 0.433 nan 8.210 nan 0.000 0.454 1448 D N 0.917 121.173 120.400 -0.240 0.000 2.336 1448 D HA 0.136 4.769 4.640 -0.011 0.000 0.228 1448 D C 0.445 176.717 176.300 -0.047 0.000 1.120 1448 D CA 0.286 54.198 54.000 -0.146 0.000 0.839 1448 D CB 0.283 41.030 40.800 -0.089 0.000 0.932 1448 D HN 0.370 nan 8.370 nan 0.000 0.509 1449 S N 0.074 115.780 115.700 0.010 0.000 2.549 1449 S HA 0.609 5.072 4.470 -0.011 0.000 0.297 1449 S C -0.011 174.700 174.600 0.184 0.000 1.115 1449 S CA -0.623 57.627 58.200 0.083 0.000 1.059 1449 S CB 1.561 64.805 63.200 0.073 0.000 1.046 1449 S HN 0.167 nan 8.310 nan 0.000 0.506 1450 A N 2.901 125.800 122.820 0.131 0.000 2.386 1450 A HA 0.616 4.929 4.320 -0.011 0.000 0.246 1450 A C -0.670 177.009 177.584 0.159 0.000 1.089 1450 A CA -0.078 52.039 52.037 0.133 0.000 0.790 1450 A CB -0.046 18.997 19.000 0.072 0.000 1.042 1450 A HN 0.915 nan 8.150 nan 0.000 0.497 1451 F N -0.180 119.736 119.950 -0.056 0.000 2.588 1451 F HA 0.548 5.070 4.527 -0.009 0.000 0.318 1451 F C -0.550 175.189 175.800 -0.102 0.000 1.155 1451 F CA -0.175 57.745 58.000 -0.134 0.000 0.967 1451 F CB 1.607 40.448 39.000 -0.264 0.000 1.236 1451 F HN 0.709 nan 8.300 nan 0.000 0.455 1452 Q N 4.669 124.062 119.800 -0.678 0.000 2.320 1452 Q HA 0.789 5.122 4.340 -0.011 0.000 0.272 1452 Q C -2.093 173.634 176.000 -0.455 0.000 1.023 1452 Q CA -0.794 54.807 55.803 -0.336 0.000 0.855 1452 Q CB 2.387 31.094 28.738 -0.051 0.000 1.367 1452 Q HN 0.941 nan 8.270 nan 0.000 0.406 1453 A N 2.557 125.340 122.820 -0.063 0.000 2.527 1453 A HA 0.821 5.134 4.320 -0.011 0.000 0.293 1453 A C -1.623 176.286 177.584 0.543 0.000 1.117 1453 A CA -0.627 51.546 52.037 0.227 0.000 0.723 1453 A CB 1.799 21.053 19.000 0.424 0.000 1.313 1453 A HN 0.762 nan 8.150 nan 0.000 0.411 1454 E N 0.328 120.772 120.200 0.408 0.000 2.340 1454 E HA 0.713 5.056 4.350 -0.011 0.000 0.273 1454 E C -1.228 175.352 176.600 -0.033 0.000 0.891 1454 E CA -0.744 55.815 56.400 0.264 0.000 0.757 1454 E CB 1.995 31.793 29.700 0.162 0.000 1.231 1454 E HN 0.299 nan 8.360 nan 0.000 0.439 1455 S N 1.082 116.519 115.700 -0.439 0.000 2.578 1455 S HA 0.443 4.907 4.470 -0.011 0.000 0.301 1455 S C -1.377 173.057 174.600 -0.276 0.000 1.091 1455 S CA -0.582 57.334 58.200 -0.472 0.000 1.032 1455 S CB 0.561 63.171 63.200 -0.984 0.000 1.064 1455 S HN 0.436 nan 8.310 nan 0.000 0.508 1456 Y N 2.088 122.348 120.300 -0.067 0.000 2.328 1456 Y HA 0.514 5.057 4.550 -0.011 0.000 0.337 1456 Y C 0.250 176.147 175.900 -0.005 0.000 0.966 1456 Y CA -0.906 57.195 58.100 0.001 0.000 1.136 1456 Y CB 0.890 39.403 38.460 0.088 0.000 1.170 1456 Y HN 0.517 nan 8.280 nan 0.000 0.470 1457 I N 1.118 121.738 120.570 0.085 0.000 2.339 1457 I HA 0.470 4.633 4.170 -0.011 0.000 0.290 1457 I C -0.592 175.535 176.117 0.016 0.000 0.994 1457 I CA -1.005 60.342 61.300 0.079 0.000 1.191 1457 I CB 1.650 39.585 38.000 -0.109 0.000 1.343 1457 I HN 0.567 nan 8.210 nan 0.000 0.458 1458 Q N 7.186 127.008 119.800 0.036 0.000 2.307 1458 Q HA 0.365 4.699 4.340 -0.011 0.000 0.259 1458 Q C -1.020 174.788 176.000 -0.321 0.000 0.998 1458 Q CA -0.579 55.124 55.803 -0.166 0.000 0.923 1458 Q CB 0.875 29.527 28.738 -0.143 0.000 1.196 1458 Q HN 0.653 nan 8.270 nan 0.000 0.416 1459 M N 2.845 122.058 119.600 -0.644 0.000 2.654 1459 M HA 0.459 4.932 4.480 -0.011 0.000 0.310 1459 M C -0.700 175.218 176.300 -0.636 0.000 1.211 1459 M CA -0.553 54.291 55.300 -0.761 0.000 0.947 1459 M CB 1.382 33.252 32.600 -1.216 0.000 1.647 1459 M HN 0.460 nan 8.290 nan 0.000 0.481 1460 K N 1.192 121.412 120.400 -0.301 0.000 2.413 1460 K HA 0.440 4.754 4.320 -0.011 0.000 0.257 1460 K C -0.865 175.801 176.600 0.110 0.000 0.946 1460 K CA -0.700 55.564 56.287 -0.039 0.000 0.823 1460 K CB 1.707 34.239 32.500 0.052 0.000 1.109 1460 K HN 0.491 nan 8.250 nan 0.000 0.427 1461 R N 4.308 124.969 120.500 0.268 0.000 2.296 1461 R HA 0.120 4.453 4.340 -0.011 0.000 0.323 1461 R C 0.175 176.534 176.300 0.097 0.000 1.067 1461 R CA -0.024 56.209 56.100 0.221 0.000 0.946 1461 R CB -0.116 30.300 30.300 0.193 0.000 0.991 1461 R HN 0.728 nan 8.270 nan 0.000 0.448 1462 I N 1.116 121.709 120.570 0.038 0.000 4.050 1462 I HA 0.565 4.728 4.170 -0.011 0.000 0.327 1462 I C -0.187 175.947 176.117 0.027 0.000 1.473 1462 I CA -0.391 60.923 61.300 0.024 0.000 1.124 1462 I CB 0.592 38.596 38.000 0.005 0.000 1.129 1462 I HN 0.438 nan 8.210 nan 0.000 0.428 1463 A N 0.097 122.946 122.820 0.048 0.000 2.572 1463 A HA 0.812 5.125 4.320 -0.011 0.000 0.295 1463 A C -0.925 176.831 177.584 0.287 0.000 1.072 1463 A CA -0.647 51.478 52.037 0.147 0.000 0.691 1463 A CB 1.340 20.445 19.000 0.176 0.000 1.291 1463 A HN -0.067 nan 8.150 nan 0.000 0.404 1464 V N 1.317 121.370 119.914 0.233 0.000 2.614 1464 V HA 0.657 4.770 4.120 -0.011 0.000 0.291 1464 V C 1.020 177.237 176.094 0.204 0.000 1.049 1464 V CA 1.603 64.019 62.300 0.193 0.000 1.038 1464 V CB 0.691 32.574 31.823 0.099 0.000 0.980 1464 V HN 2.007 nan 8.190 nan 0.000 0.481 1465 G N 3.927 112.760 108.800 0.054 0.000 2.339 1465 G HA2 0.230 4.184 3.960 -0.011 0.000 0.275 1465 G HA3 0.230 4.184 3.960 -0.011 0.000 0.275 1465 G C -0.782 173.787 174.900 -0.553 0.000 1.323 1465 G CA -0.363 44.555 45.100 -0.304 0.000 0.927 1465 G HN 0.599 nan 8.290 nan 0.000 0.486 1466 T N 0.787 114.832 114.554 -0.848 0.000 2.812 1466 T HA 0.687 5.030 4.350 -0.011 0.000 0.282 1466 T C -1.408 172.815 174.700 -0.794 0.000 0.990 1466 T CA -0.029 61.712 62.100 -0.598 0.000 0.960 1466 T CB 0.758 69.466 68.868 -0.267 0.000 0.948 1466 T HN 0.452 nan 8.240 nan 0.000 0.438 1467 F N 1.606 121.599 119.950 0.070 0.000 2.539 1467 F HA 0.475 4.996 4.527 -0.011 0.000 0.318 1467 F C 0.601 176.466 175.800 0.109 0.000 1.135 1467 F CA -1.075 56.987 58.000 0.103 0.000 0.915 1467 F CB 1.659 40.750 39.000 0.153 0.000 1.176 1467 F HN 0.429 nan 8.300 nan 0.000 0.440 1468 E N 1.174 121.524 120.200 0.250 0.000 2.232 1468 E HA 0.506 4.849 4.350 -0.011 0.000 0.265 1468 E C -1.068 175.605 176.600 0.121 0.000 1.001 1468 E CA -1.110 55.380 56.400 0.151 0.000 0.870 1468 E CB 1.924 31.675 29.700 0.086 0.000 1.175 1468 E HN 0.535 nan 8.360 nan 0.000 0.407 1469 N N -0.409 118.300 118.700 0.014 0.000 2.331 1469 N HA 0.399 5.132 4.740 -0.011 0.000 0.280 1469 N C -1.961 173.495 175.510 -0.090 0.000 1.155 1469 N CA -0.297 52.688 53.050 -0.109 0.000 0.822 1469 N CB 2.154 40.334 38.487 -0.513 0.000 1.619 1469 N HN 0.334 nan 8.380 nan 0.000 0.476 1470 T N 0.973 115.496 114.554 -0.051 0.000 2.894 1470 T HA 0.436 4.779 4.350 -0.011 0.000 0.309 1470 T C -1.696 173.051 174.700 0.079 0.000 1.208 1470 T CA -0.527 61.579 62.100 0.010 0.000 1.016 1470 T CB 0.852 69.728 68.868 0.014 0.000 1.192 1470 T HN 0.497 nan 8.240 nan 0.000 0.491 1471 Y N 0.886 121.176 120.300 -0.017 0.000 2.576 1471 Y HA 0.838 5.381 4.550 -0.012 0.000 0.346 1471 Y C -1.733 174.213 175.900 0.076 0.000 1.018 1471 Y CA -1.596 56.517 58.100 0.022 0.000 1.050 1471 Y CB 1.174 39.653 38.460 0.031 0.000 1.280 1471 Y HN 0.435 nan 8.280 nan 0.000 0.474 1472 I N 3.873 124.418 120.570 -0.041 0.000 2.378 1472 I HA 0.266 4.429 4.170 -0.011 0.000 0.291 1472 I C -0.688 175.309 176.117 -0.199 0.000 0.992 1472 I CA -0.606 60.592 61.300 -0.171 0.000 1.154 1472 I CB 1.278 39.325 38.000 0.079 0.000 1.315 1472 I HN 0.848 nan 8.210 nan 0.000 0.448 1473 N N 4.687 123.154 118.700 -0.389 0.000 2.457 1473 N HA 0.287 5.020 4.740 -0.011 0.000 0.250 1473 N C -0.864 174.562 175.510 -0.140 0.000 0.982 1473 N CA -0.194 52.703 53.050 -0.254 0.000 0.941 1473 N CB 0.958 39.236 38.487 -0.350 0.000 1.120 1473 N HN 0.494 nan 8.380 nan 0.000 0.505 1474 T N 2.706 117.174 114.554 -0.144 0.000 2.733 1474 T HA 0.238 4.581 4.350 -0.011 0.000 0.294 1474 T C -0.080 174.531 174.700 -0.148 0.000 0.956 1474 T CA -0.379 61.667 62.100 -0.091 0.000 0.987 1474 T CB 1.138 69.968 68.868 -0.063 0.000 0.920 1474 T HN 0.184 nan 8.240 nan 0.000 0.470 1475 V N 4.938 124.817 119.914 -0.057 0.000 2.350 1475 V HA 0.311 4.425 4.120 -0.011 0.000 0.285 1475 V C 0.283 176.285 176.094 -0.153 0.000 1.014 1475 V CA -1.064 61.169 62.300 -0.113 0.000 0.831 1475 V CB 0.900 32.668 31.823 -0.090 0.000 1.000 1475 V HN 0.932 nan 8.190 nan 0.000 0.433 1476 N N 4.241 122.705 118.700 -0.394 0.000 2.716 1476 N HA -0.216 4.517 4.740 -0.011 0.000 0.250 1476 N C 1.130 176.517 175.510 -0.204 0.000 1.033 1476 N CA 1.768 54.377 53.050 -0.734 0.000 0.727 1476 N CB -1.014 37.087 38.487 -0.644 0.000 0.950 1476 N HN 1.447 nan 8.380 nan 0.000 0.541 1477 G N -3.695 105.060 108.800 -0.075 0.000 2.176 1477 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.232 1477 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.232 1477 G C -0.134 174.738 174.900 -0.047 0.000 0.986 1477 G CA 0.100 45.218 45.100 0.030 0.000 0.643 1477 G HN 0.560 nan 8.290 nan 0.000 0.522 1478 V N 2.267 122.128 119.914 -0.088 0.000 2.417 1478 V HA 0.681 4.794 4.120 -0.011 0.000 0.291 1478 V C 0.682 176.577 176.094 -0.332 0.000 1.024 1478 V CA -0.075 62.091 62.300 -0.223 0.000 0.861 1478 V CB 1.492 33.161 31.823 -0.257 0.000 0.985 1478 V HN 0.707 nan 8.190 nan 0.000 0.436 1479 T N 1.952 116.274 114.554 -0.388 0.000 2.856 1479 T HA 0.698 5.041 4.350 -0.011 0.000 0.292 1479 T C -0.955 173.453 174.700 -0.487 0.000 0.980 1479 T CA -0.343 61.572 62.100 -0.308 0.000 1.091 1479 T CB 0.554 69.298 68.868 -0.207 0.000 0.936 1479 T HN 0.433 nan 8.240 nan 0.000 0.503 1480 Y N 0.441 120.639 120.300 -0.170 0.000 2.406 1480 Y HA 0.521 5.064 4.550 -0.011 0.000 0.340 1480 Y C 0.338 176.100 175.900 -0.231 0.000 0.975 1480 Y CA -1.097 56.900 58.100 -0.172 0.000 1.056 1480 Y CB 2.414 40.770 38.460 -0.173 0.000 1.210 1480 Y HN 0.672 nan 8.280 nan 0.000 0.448 1481 S N 1.769 117.441 115.700 -0.047 0.000 2.525 1481 S HA 0.402 4.866 4.470 -0.011 0.000 0.278 1481 S C -0.062 174.451 174.600 -0.144 0.000 1.234 1481 S CA -0.884 57.242 58.200 -0.124 0.000 1.058 1481 S CB 0.781 63.942 63.200 -0.066 0.000 0.983 1481 S HN 0.724 nan 8.310 nan 0.000 0.495 1482 S N 3.469 119.033 115.700 -0.226 0.000 2.617 1482 S HA 0.228 4.692 4.470 -0.011 0.000 0.259 1482 S C 0.332 174.923 174.600 -0.014 0.000 1.301 1482 S CA -0.972 57.170 58.200 -0.097 0.000 0.984 1482 S CB 0.058 63.271 63.200 0.022 0.000 0.954 1482 S HN 0.811 nan 8.310 nan 0.000 0.572 1483 N N 0.185 118.901 118.700 0.027 0.000 2.297 1483 N HA 0.035 4.768 4.740 -0.011 0.000 0.232 1483 N C -0.745 174.784 175.510 0.031 0.000 1.311 1483 N CA -0.102 52.965 53.050 0.030 0.000 0.897 1483 N CB -0.343 38.169 38.487 0.041 0.000 1.137 1483 N HN 0.608 nan 8.380 nan 0.000 0.449 1484 T N 0.432 115.001 114.554 0.026 0.000 2.743 1484 T HA 0.337 4.681 4.350 -0.011 0.000 0.292 1484 T C 0.511 175.229 174.700 0.030 0.000 0.972 1484 T CA -0.821 61.292 62.100 0.022 0.000 0.967 1484 T CB 0.533 69.413 68.868 0.020 0.000 0.926 1484 T HN 0.478 nan 8.240 nan 0.000 0.459 1485 V N 1.454 121.383 119.914 0.026 0.000 3.170 1485 V HA 0.744 4.857 4.120 -0.011 0.000 0.309 1485 V C -0.093 176.044 176.094 0.072 0.000 1.071 1485 V CA -0.816 61.517 62.300 0.056 0.000 1.063 1485 V CB 1.295 33.168 31.823 0.083 0.000 1.123 1485 V HN 0.827 nan 8.190 nan 0.000 0.464 1486 K N 1.292 121.748 120.400 0.092 0.000 2.571 1486 K HA 0.548 4.862 4.320 -0.011 0.000 0.252 1486 K C -0.964 175.689 176.600 0.088 0.000 0.956 1486 K CA 0.001 56.346 56.287 0.096 0.000 0.822 1486 K CB 2.230 34.763 32.500 0.055 0.000 1.286 1486 K HN 1.205 nan 8.250 nan 0.000 0.439 1487 T N -0.617 114.002 114.554 0.109 0.000 2.907 1487 T HA 0.592 4.936 4.350 -0.011 0.000 0.290 1487 T C -0.460 174.272 174.700 0.052 0.000 1.066 1487 T CA -0.591 61.544 62.100 0.057 0.000 1.012 1487 T CB 1.911 70.781 68.868 0.003 0.000 1.184 1487 T HN 0.329 nan 8.240 nan 0.000 0.522 1488 T N 1.147 115.710 114.554 0.016 0.000 2.893 1488 T HA 0.762 5.105 4.350 -0.011 0.000 0.291 1488 T C -0.648 174.068 174.700 0.026 0.000 1.028 1488 T CA -0.435 61.667 62.100 0.002 0.000 0.995 1488 T CB 1.960 70.816 68.868 -0.021 0.000 1.051 1488 T HN 0.891 nan 8.240 nan 0.000 0.470 1489 T N 0.000 114.583 114.554 0.049 0.000 3.816 1489 T HA 0.000 4.343 4.350 -0.011 0.000 0.228 1489 T CA 0.000 62.141 62.100 0.067 0.000 1.349 1489 T CB 0.000 68.954 68.868 0.144 0.000 0.612 1489 T HN 0.000 nan 8.240 nan 0.000 0.658