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_B 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 0.000 175.863 175.900 -0.061 0.000 1.272 1152 Y CA 0.000 58.081 58.100 -0.032 0.000 1.940 1152 Y CB 0.000 38.456 38.460 -0.007 0.000 1.050 1153 I N 3.880 124.479 120.570 0.048 0.000 2.379 1153 I HA 0.313 4.483 4.170 0.000 0.000 0.290 1153 I C -0.741 175.376 176.117 0.000 0.000 1.063 1153 I CA 0.311 61.559 61.300 -0.086 0.000 1.351 1153 I CB 0.253 38.048 38.000 -0.342 0.000 1.410 1153 I HN 0.603 nan 8.210 nan 0.000 0.505 1154 K N 9.014 129.431 120.400 0.028 0.000 2.589 1154 K HA 0.491 4.811 4.320 0.000 0.000 0.253 1154 K C -2.757 173.893 176.600 0.083 0.000 0.974 1154 K CA -1.513 54.817 56.287 0.072 0.000 0.835 1154 K CB 1.816 34.365 32.500 0.083 0.000 1.272 1154 K HN 0.216 nan 8.250 nan 0.000 0.444 1155 P HA 0.001 nan 4.420 nan 0.000 0.268 1155 P C -0.772 176.580 177.300 0.087 0.000 1.205 1155 P CA -0.020 63.163 63.100 0.139 0.000 0.771 1155 P CB 0.872 32.620 31.700 0.081 0.000 0.858 1156 T N -0.210 114.409 114.554 0.109 0.000 2.893 1156 T HA 0.542 4.892 4.350 0.000 0.000 0.291 1156 T C -0.804 173.939 174.700 0.072 0.000 1.028 1156 T CA -0.911 61.227 62.100 0.064 0.000 0.995 1156 T CB 2.039 70.935 68.868 0.046 0.000 1.051 1156 T HN 0.344 nan 8.240 nan 0.000 0.470 1157 K N 2.165 122.588 120.400 0.038 0.000 2.471 1157 K HA 0.663 4.983 4.320 0.000 0.000 0.252 1157 K C -1.950 174.681 176.600 0.051 0.000 0.938 1157 K CA -0.839 55.470 56.287 0.036 0.000 0.796 1157 K CB 2.350 34.836 32.500 -0.023 0.000 1.161 1157 K HN 0.588 nan 8.250 nan 0.000 0.425 1158 V N 3.426 123.400 119.914 0.100 0.000 2.789 1158 V HA 0.422 4.542 4.120 0.000 0.000 0.311 1158 V C -1.416 174.820 176.094 0.237 0.000 1.073 1158 V CA -0.855 61.523 62.300 0.130 0.000 0.921 1158 V CB 2.135 34.010 31.823 0.086 0.000 1.009 1158 V HN 0.849 nan 8.190 nan 0.000 0.426 1159 N N 4.628 123.482 118.700 0.257 0.000 2.419 1159 N HA 0.513 5.253 4.740 0.000 0.000 0.277 1159 N C -0.950 174.647 175.510 0.145 0.000 1.006 1159 N CA -0.211 53.003 53.050 0.274 0.000 0.923 1159 N CB 1.231 39.897 38.487 0.298 0.000 1.140 1159 N HN 0.708 nan 8.380 nan 0.000 0.488 1160 K N 1.365 121.845 120.400 0.134 0.000 2.385 1160 K HA 0.359 4.679 4.320 0.000 0.000 0.248 1160 K C -0.153 176.540 176.600 0.155 0.000 0.955 1160 K CA -1.000 55.352 56.287 0.108 0.000 0.816 1160 K CB 1.206 33.754 32.500 0.079 0.000 1.250 1160 K HN 0.694 nan 8.250 nan 0.000 0.434 1161 N N 0.289 119.049 118.700 0.099 0.000 2.322 1161 N HA -0.068 4.672 4.740 0.000 0.000 0.270 1161 N C 0.629 176.092 175.510 -0.079 0.000 1.286 1161 N CA -0.096 53.032 53.050 0.129 0.000 0.948 1161 N CB 0.183 38.715 38.487 0.076 0.000 1.164 1161 N HN 0.711 nan 8.380 nan 0.000 0.551 1162 E N -1.773 118.325 120.200 -0.170 0.000 2.338 1162 E HA -0.129 4.221 4.350 0.000 0.000 0.197 1162 E C -0.047 176.333 176.600 -0.367 0.000 1.007 1162 E CA 0.855 56.907 56.400 -0.579 0.000 0.849 1162 E CB -0.391 29.164 29.700 -0.242 0.000 0.774 1162 E HN 0.442 nan 8.360 nan 0.000 0.506 1163 N N 0.469 119.055 118.700 -0.190 0.000 2.251 1163 N HA 0.093 4.833 4.740 0.000 0.000 0.217 1163 N C 0.648 176.092 175.510 -0.109 0.000 1.124 1163 N CA 0.703 53.674 53.050 -0.131 0.000 0.843 1163 N CB 1.115 39.556 38.487 -0.077 0.000 1.024 1163 N HN 0.408 nan 8.380 nan 0.000 0.501 1164 G N 0.135 108.857 108.800 -0.130 0.000 2.166 1164 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 1164 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 1164 G C 0.149 175.028 174.900 -0.035 0.000 0.986 1164 G CA 0.341 45.396 45.100 -0.076 0.000 0.683 1164 G HN 0.225 nan 8.290 nan 0.000 0.527 1165 V N 0.718 120.615 119.914 -0.029 0.000 2.614 1165 V HA 0.323 4.443 4.120 0.000 0.000 0.291 1165 V C 1.314 177.415 176.094 0.011 0.000 1.049 1165 V CA -0.474 61.820 62.300 -0.011 0.000 1.038 1165 V CB 1.754 33.568 31.823 -0.014 0.000 0.980 1165 V HN 0.239 nan 8.190 nan 0.000 0.481 1166 V N 6.948 126.870 119.914 0.014 0.000 2.450 1166 V HA 0.051 4.171 4.120 0.000 0.000 0.281 1166 V C 0.988 177.100 176.094 0.030 0.000 1.019 1166 V CA 0.490 62.808 62.300 0.030 0.000 1.062 1166 V CB 0.355 32.192 31.823 0.024 0.000 0.979 1166 V HN 0.826 nan 8.190 nan 0.000 0.477 1167 I N -0.206 120.393 120.570 0.048 0.000 3.974 1167 I HA 0.394 4.565 4.170 0.000 0.000 0.334 1167 I C 0.059 176.203 176.117 0.046 0.000 1.437 1167 I CA -0.585 60.741 61.300 0.043 0.000 1.113 1167 I CB 0.051 38.084 38.000 0.054 0.000 1.063 1167 I HN 0.340 nan 8.210 nan 0.000 0.400 1168 D N 3.283 123.715 120.400 0.054 0.000 2.629 1168 D HA -0.078 4.562 4.640 0.000 0.000 0.228 1168 D C 0.747 177.057 176.300 0.018 0.000 1.127 1168 D CA 1.163 55.192 54.000 0.048 0.000 0.855 1168 D CB 0.224 41.049 40.800 0.042 0.000 1.180 1168 D HN 0.342 nan 8.370 nan 0.000 0.484 1169 D N -0.314 120.086 120.400 -0.001 0.000 2.978 1169 D HA -0.201 4.439 4.640 0.000 0.000 0.205 1169 D C -0.003 176.286 176.300 -0.017 0.000 1.093 1169 D CA 1.058 55.047 54.000 -0.019 0.000 1.006 1169 D CB -0.617 40.176 40.800 -0.011 0.000 1.116 1169 D HN 0.484 nan 8.370 nan 0.000 0.419 1170 K N 0.579 120.976 120.400 -0.005 0.000 2.120 1170 K HA 0.349 4.669 4.320 0.000 0.000 0.245 1170 K C 0.424 177.031 176.600 0.012 0.000 1.024 1170 K CA -0.007 56.284 56.287 0.006 0.000 0.906 1170 K CB 0.568 33.078 32.500 0.017 0.000 1.051 1170 K HN -0.129 nan 8.250 nan 0.000 0.491 1171 T N 1.058 115.636 114.554 0.040 0.000 2.869 1171 T HA 0.258 4.608 4.350 0.000 0.000 0.295 1171 T C -0.476 174.283 174.700 0.099 0.000 0.987 1171 T CA -0.547 61.591 62.100 0.063 0.000 1.109 1171 T CB 0.693 69.611 68.868 0.084 0.000 0.932 1171 T HN 0.136 nan 8.240 nan 0.000 0.518 1172 V N 4.700 124.681 119.914 0.110 0.000 2.482 1172 V HA 0.313 4.433 4.120 0.000 0.000 0.295 1172 V C 0.024 176.197 176.094 0.131 0.000 1.026 1172 V CA -0.889 61.493 62.300 0.137 0.000 0.856 1172 V CB 1.497 33.435 31.823 0.192 0.000 1.001 1172 V HN 0.771 nan 8.190 nan 0.000 0.424 1173 L N 3.868 125.147 121.223 0.094 0.000 2.456 1173 L HA 0.417 4.757 4.340 0.000 0.000 0.272 1173 L C 1.192 178.112 176.870 0.083 0.000 1.189 1173 L CA 0.054 54.936 54.840 0.070 0.000 0.846 1173 L CB 0.740 42.812 42.059 0.022 0.000 1.111 1173 L HN 0.815 nan 8.230 nan 0.000 0.475 1174 A N 2.539 125.420 122.820 0.102 0.000 2.565 1174 A HA 0.373 4.693 4.320 0.000 0.000 0.237 1174 A C 1.270 178.883 177.584 0.048 0.000 1.053 1174 A CA 0.663 52.748 52.037 0.078 0.000 0.755 1174 A CB -0.161 18.905 19.000 0.112 0.000 0.980 1174 A HN 1.147 nan 8.150 nan 0.000 0.506 1175 G N 1.475 110.280 108.800 0.010 0.000 2.268 1175 G HA2 -0.233 3.728 3.960 0.000 0.000 0.240 1175 G HA3 -0.233 3.728 3.960 0.000 0.000 0.240 1175 G C 0.650 175.566 174.900 0.026 0.000 1.010 1175 G CA 0.441 45.545 45.100 0.007 0.000 0.618 1175 G HN 1.292 nan 8.290 nan 0.000 0.516 1176 S N 1.100 116.823 115.700 0.039 0.000 2.579 1176 S HA 0.526 4.996 4.470 0.000 0.000 0.275 1176 S C 0.477 175.063 174.600 -0.023 0.000 1.345 1176 S CA 0.557 58.788 58.200 0.053 0.000 1.031 1176 S CB 1.317 64.564 63.200 0.078 0.000 0.892 1176 S HN 0.455 nan 8.310 nan 0.000 0.529 1177 T N 3.787 118.313 114.554 -0.048 0.000 2.837 1177 T HA 0.256 4.606 4.350 0.000 0.000 0.285 1177 T C 0.012 174.514 174.700 -0.331 0.000 0.984 1177 T CA -0.685 61.245 62.100 -0.282 0.000 1.049 1177 T CB 0.290 68.848 68.868 -0.516 0.000 0.947 1177 T HN 0.459 nan 8.240 nan 0.000 0.472 1178 N N 2.889 121.325 118.700 -0.440 0.000 2.420 1178 N HA 0.133 4.874 4.740 0.000 0.000 0.249 1178 N C -0.951 174.192 175.510 -0.612 0.000 1.033 1178 N CA -0.153 52.591 53.050 -0.510 0.000 0.944 1178 N CB 0.863 38.862 38.487 -0.814 0.000 1.113 1178 N HN 0.590 nan 8.380 nan 0.000 0.502 1179 Y N 2.200 122.372 120.300 -0.214 0.000 2.735 1179 Y HA 0.145 4.695 4.550 0.000 0.000 0.354 1179 Y C 0.023 175.915 175.900 -0.012 0.000 1.288 1179 Y CA -0.606 57.438 58.100 -0.093 0.000 1.836 1179 Y CB -0.603 37.833 38.460 -0.041 0.000 1.920 1179 Y HN 0.400 nan 8.280 nan 0.000 0.438 1180 Y N 1.004 121.363 120.300 0.099 0.000 2.717 1180 Y HA 0.010 4.560 4.550 0.000 0.000 0.330 1180 Y C 0.692 176.638 175.900 0.077 0.000 1.217 1180 Y CA -0.465 57.691 58.100 0.092 0.000 1.506 1180 Y CB 0.259 38.771 38.460 0.086 0.000 1.268 1180 Y HN 0.378 nan 8.280 nan 0.000 0.561 1181 E N 3.944 124.290 120.200 0.244 0.000 2.145 1181 E HA 0.505 4.855 4.350 0.000 0.000 0.270 1181 E C -1.583 175.059 176.600 0.070 0.000 0.906 1181 E CA -0.549 55.921 56.400 0.117 0.000 0.761 1181 E CB 0.662 30.416 29.700 0.091 0.000 1.116 1181 E HN 0.525 nan 8.360 nan 0.000 0.408 1182 L N 3.458 124.673 121.223 -0.013 0.000 2.305 1182 L HA 0.450 4.790 4.340 0.000 0.000 0.284 1182 L C -0.247 176.544 176.870 -0.132 0.000 1.013 1182 L CA -0.845 53.970 54.840 -0.041 0.000 0.819 1182 L CB 1.818 43.816 42.059 -0.102 0.000 1.227 1182 L HN 0.432 nan 8.230 nan 0.000 0.417 1183 T N 1.603 116.161 114.554 0.008 0.000 2.771 1183 T HA 0.161 4.511 4.350 0.000 0.000 0.291 1183 T C -0.658 174.143 174.700 0.169 0.000 0.954 1183 T CA -0.167 61.956 62.100 0.039 0.000 1.045 1183 T CB 0.782 69.692 68.868 0.070 0.000 0.917 1183 T HN 0.367 nan 8.240 nan 0.000 0.484 1184 W N 4.821 126.081 121.300 -0.067 0.000 2.317 1184 W HA 0.254 4.914 4.660 0.000 0.000 0.327 1184 W C -0.400 176.182 176.519 0.105 0.000 1.036 1184 W CA -1.377 56.045 57.345 0.127 0.000 1.419 1184 W CB 0.039 29.507 29.460 0.013 0.000 1.253 1184 W HN 0.540 nan 8.180 nan 0.000 0.392 1185 D N 5.490 126.176 120.400 0.477 0.000 2.435 1185 D HA 0.068 4.708 4.640 0.000 0.000 0.230 1185 D C 0.676 177.089 176.300 0.189 0.000 1.215 1185 D CA 0.253 54.389 54.000 0.227 0.000 0.947 1185 D CB 0.286 41.161 40.800 0.125 0.000 1.048 1185 D HN 0.483 nan 8.370 nan 0.000 0.512 1186 L N 2.294 123.585 121.223 0.113 0.000 2.693 1186 L HA 0.095 4.435 4.340 0.000 0.000 0.235 1186 L C 1.367 178.235 176.870 -0.005 0.000 1.127 1186 L CA -0.048 54.857 54.840 0.109 0.000 0.914 1186 L CB 0.254 42.327 42.059 0.024 0.000 1.193 1186 L HN 0.241 nan 8.230 nan 0.000 0.502 1187 D N -1.027 119.342 120.400 -0.052 0.000 2.371 1187 D HA -0.223 4.418 4.640 0.000 0.000 0.221 1187 D C 1.824 178.072 176.300 -0.087 0.000 0.986 1187 D CA 0.596 54.565 54.000 -0.053 0.000 0.899 1187 D CB 0.134 40.911 40.800 -0.037 0.000 0.902 1187 D HN 0.114 nan 8.370 nan 0.000 0.530 1188 Q N -1.229 118.444 119.800 -0.212 0.000 2.392 1188 Q HA 0.110 4.450 4.340 0.000 0.000 0.203 1188 Q C 0.120 176.003 176.000 -0.196 0.000 0.917 1188 Q CA 0.433 56.090 55.803 -0.244 0.000 0.939 1188 Q CB -0.015 28.510 28.738 -0.356 0.000 1.063 1188 Q HN 0.420 nan 8.270 nan 0.000 0.516 1189 Y N 0.268 120.607 120.300 0.065 0.000 2.468 1189 Y HA 0.175 4.725 4.550 0.000 0.000 0.268 1189 Y C 0.045 175.965 175.900 0.034 0.000 1.177 1189 Y CA -0.476 57.684 58.100 0.099 0.000 1.265 1189 Y CB -0.337 38.230 38.460 0.179 0.000 1.103 1189 Y HN -0.070 nan 8.280 nan 0.000 0.522 1190 K N 0.490 120.952 120.400 0.103 0.000 2.489 1190 K HA -0.084 4.236 4.320 0.000 0.000 0.278 1190 K C 0.405 177.031 176.600 0.043 0.000 1.000 1190 K CA 0.406 56.716 56.287 0.038 0.000 1.012 1190 K CB 0.208 32.710 32.500 0.002 0.000 0.903 1190 K HN 0.184 nan 8.250 nan 0.000 0.485 1191 N N 0.654 119.361 118.700 0.012 0.000 2.693 1191 N HA -0.238 4.503 4.740 0.000 0.000 0.249 1191 N C -1.104 174.443 175.510 0.062 0.000 1.119 1191 N CA 1.334 54.396 53.050 0.021 0.000 0.717 1191 N CB -1.111 37.387 38.487 0.018 0.000 1.071 1191 N HN 0.892 nan 8.380 nan 0.000 0.555 1192 D N -0.221 120.236 120.400 0.094 0.000 2.423 1192 D HA 0.164 4.804 4.640 0.000 0.000 0.238 1192 D C 0.397 176.825 176.300 0.214 0.000 1.142 1192 D CA 0.566 54.672 54.000 0.176 0.000 0.884 1192 D CB 0.489 41.459 40.800 0.283 0.000 1.199 1192 D HN 0.330 nan 8.370 nan 0.000 0.438 1193 R N 1.906 122.523 120.500 0.194 0.000 2.711 1193 R HA 0.228 4.568 4.340 0.000 0.000 0.350 1193 R C -0.456 175.910 176.300 0.110 0.000 1.146 1193 R CA -0.474 55.731 56.100 0.175 0.000 1.190 1193 R CB 0.725 31.085 30.300 0.100 0.000 1.312 1193 R HN 0.279 nan 8.270 nan 0.000 0.635 1194 S N 0.723 116.487 115.700 0.106 0.000 2.589 1194 S HA 0.099 4.569 4.470 0.000 0.000 0.265 1194 S C 0.751 175.300 174.600 -0.085 0.000 1.342 1194 S CA -0.459 57.708 58.200 -0.055 0.000 1.005 1194 S CB 1.082 64.158 63.200 -0.206 0.000 0.909 1194 S HN 0.473 nan 8.310 nan 0.000 0.555 1195 S N 0.923 116.566 115.700 -0.095 0.000 2.624 1195 S HA 0.482 4.952 4.470 0.000 0.000 0.263 1195 S C 1.364 175.907 174.600 -0.095 0.000 1.287 1195 S CA -0.349 57.808 58.200 -0.073 0.000 0.990 1195 S CB 0.578 63.746 63.200 -0.054 0.000 0.950 1195 S HN 0.802 nan 8.310 nan 0.000 0.561 1196 A N 1.200 123.985 122.820 -0.060 0.000 1.865 1196 A HA -0.133 4.188 4.320 0.000 0.000 0.217 1196 A C 1.770 179.327 177.584 -0.044 0.000 1.191 1196 A CA 2.046 54.054 52.037 -0.050 0.000 0.623 1196 A CB -1.473 17.515 19.000 -0.021 0.000 0.826 1196 A HN 0.889 nan 8.150 nan 0.000 0.444 1197 D N -0.639 119.739 120.400 -0.035 0.000 2.133 1197 D HA -0.105 4.535 4.640 0.000 0.000 0.195 1197 D C 2.004 178.288 176.300 -0.028 0.000 0.997 1197 D CA 1.896 55.880 54.000 -0.026 0.000 0.840 1197 D CB -0.750 40.036 40.800 -0.023 0.000 0.947 1197 D HN 0.431 nan 8.370 nan 0.000 0.452 1198 T N 0.552 115.075 114.554 -0.051 0.000 2.821 1198 T HA -0.024 4.326 4.350 0.000 0.000 0.267 1198 T C 2.151 176.890 174.700 0.065 0.000 1.046 1198 T CA 0.445 62.517 62.100 -0.047 0.000 1.139 1198 T CB -0.155 68.605 68.868 -0.180 0.000 0.871 1198 T HN 0.167 nan 8.240 nan 0.000 0.454 1199 I N 0.966 121.530 120.570 -0.011 0.000 2.394 1199 I HA -0.128 4.042 4.170 0.000 0.000 0.251 1199 I C 2.560 178.672 176.117 -0.007 0.000 1.136 1199 I CA 0.938 62.247 61.300 0.014 0.000 1.425 1199 I CB -0.262 37.620 38.000 -0.198 0.000 1.079 1199 I HN 0.128 nan 8.210 nan 0.000 0.425 1200 Q N 0.705 120.496 119.800 -0.016 0.000 2.488 1200 Q HA -0.078 4.262 4.340 0.000 0.000 0.211 1200 Q C 1.747 177.718 176.000 -0.047 0.000 0.967 1200 Q CA 0.679 56.471 55.803 -0.019 0.000 0.926 1200 Q CB -0.020 28.717 28.738 -0.002 0.000 0.992 1200 Q HN 0.379 nan 8.270 nan 0.000 0.506 1201 K N 0.034 120.397 120.400 -0.061 0.000 2.439 1201 K HA 0.040 4.361 4.320 0.000 0.000 0.197 1201 K C 0.975 177.476 176.600 -0.165 0.000 1.041 1201 K CA 0.764 57.020 56.287 -0.052 0.000 0.970 1201 K CB -0.240 32.269 32.500 0.015 0.000 0.773 1201 K HN 0.281 nan 8.250 nan 0.000 0.479 1202 G N 0.863 109.392 108.800 -0.452 0.000 2.741 1202 G HA2 -0.237 3.723 3.960 0.000 0.000 0.222 1202 G HA3 -0.237 3.723 3.960 0.000 0.000 0.222 1202 G C -0.870 173.336 174.900 -1.157 0.000 1.364 1202 G CA -0.691 44.017 45.100 -0.654 0.000 0.866 1202 G HN 0.115 nan 8.290 nan 0.000 0.555 1203 F N -0.593 119.182 119.950 -0.293 0.000 2.607 1203 F HA 0.674 5.202 4.527 0.000 0.000 0.322 1203 F C -0.267 175.451 175.800 -0.136 0.000 1.176 1203 F CA -0.709 57.249 58.000 -0.070 0.000 0.977 1203 F CB 1.858 40.700 39.000 -0.263 0.000 1.242 1203 F HN 0.571 nan 8.300 nan 0.000 0.465 1204 Y N 1.326 121.861 120.300 0.392 0.000 2.545 1204 Y HA 0.603 5.153 4.550 0.000 0.000 0.348 1204 Y C -1.282 174.539 175.900 -0.133 0.000 1.002 1204 Y CA -1.456 56.760 58.100 0.192 0.000 1.039 1204 Y CB 2.407 40.927 38.460 0.101 0.000 1.271 1204 Y HN 0.567 nan 8.280 nan 0.000 0.467 1205 Y N 0.712 120.943 120.300 -0.115 0.000 2.462 1205 Y HA 0.752 5.303 4.550 0.000 0.000 0.346 1205 Y C -1.429 174.577 175.900 0.177 0.000 0.976 1205 Y CA -1.039 56.879 58.100 -0.304 0.000 1.044 1205 Y CB 1.674 39.707 38.460 -0.712 0.000 1.230 1205 Y HN 0.381 nan 8.280 nan 0.000 0.455 1206 V N 4.896 124.820 119.914 0.017 0.000 2.588 1206 V HA 0.312 4.432 4.120 0.000 0.000 0.304 1206 V C -1.159 175.125 176.094 0.317 0.000 1.042 1206 V CA -0.915 61.527 62.300 0.237 0.000 0.877 1206 V CB 1.773 33.637 31.823 0.069 0.000 0.996 1206 V HN 0.729 nan 8.190 nan 0.000 0.425 1207 D N 3.035 123.718 120.400 0.472 0.000 2.425 1207 D HA 0.192 4.833 4.640 0.000 0.000 0.240 1207 D C -1.285 175.270 176.300 0.426 0.000 1.080 1207 D CA -0.275 53.968 54.000 0.405 0.000 0.836 1207 D CB 2.004 43.065 40.800 0.435 0.000 1.125 1207 D HN 0.581 nan 8.370 nan 0.000 0.525 1208 D N 4.175 124.765 120.400 0.317 0.000 2.441 1208 D HA 0.084 4.724 4.640 0.000 0.000 0.221 1208 D C -0.586 175.842 176.300 0.214 0.000 1.156 1208 D CA -0.316 53.838 54.000 0.257 0.000 0.896 1208 D CB -0.268 40.657 40.800 0.209 0.000 1.028 1208 D HN 0.365 nan 8.370 nan 0.000 0.509 1209 Y N 1.417 121.809 120.300 0.153 0.000 2.403 1209 Y HA 0.725 5.275 4.550 0.000 0.000 0.323 1209 Y C -2.462 173.506 175.900 0.113 0.000 1.226 1209 Y CA -3.027 55.145 58.100 0.120 0.000 1.235 1209 Y CB 0.580 39.122 38.460 0.136 0.000 1.248 1209 Y HN 0.102 nan 8.280 nan 0.000 0.489 1210 P HA 0.076 nan 4.420 nan 0.000 0.274 1210 P C 0.092 177.427 177.300 0.058 0.000 1.470 1210 P CA -0.194 62.955 63.100 0.082 0.000 1.001 1210 P CB 0.903 32.705 31.700 0.170 0.000 1.332 1211 E N 3.347 123.488 120.200 -0.098 0.000 2.347 1211 E HA -0.173 4.177 4.350 0.000 0.000 0.196 1211 E C 0.532 177.147 176.600 0.025 0.000 1.008 1211 E CA 1.158 57.551 56.400 -0.012 0.000 0.852 1211 E CB -0.237 29.375 29.700 -0.147 0.000 0.783 1211 E HN 0.353 nan 8.360 nan 0.000 0.505 1212 E N 0.498 120.702 120.200 0.008 0.000 2.347 1212 E HA 0.029 4.379 4.350 0.000 0.000 0.196 1212 E C 1.430 178.037 176.600 0.011 0.000 1.008 1212 E CA 1.017 57.425 56.400 0.013 0.000 0.852 1212 E CB 0.317 30.028 29.700 0.018 0.000 0.783 1212 E HN 0.468 nan 8.360 nan 0.000 0.505 1213 A N 0.028 122.847 122.820 -0.001 0.000 2.074 1213 A HA 0.284 4.604 4.320 0.000 0.000 0.200 1213 A C 0.911 178.414 177.584 -0.135 0.000 1.335 1213 A CA -0.042 51.953 52.037 -0.070 0.000 0.922 1213 A CB 0.566 19.498 19.000 -0.113 0.000 0.972 1213 A HN 0.038 nan 8.150 nan 0.000 0.475 1214 L N 0.236 121.421 121.223 -0.064 0.000 2.370 1214 L HA 0.566 4.907 4.340 0.000 0.000 0.266 1214 L C -0.883 176.006 176.870 0.032 0.000 1.002 1214 L CA -0.632 54.169 54.840 -0.064 0.000 0.818 1214 L CB 2.156 44.187 42.059 -0.047 0.000 1.325 1214 L HN 0.149 nan 8.230 nan 0.000 0.418 1215 E N 1.858 122.035 120.200 -0.038 0.000 2.183 1215 E HA 0.522 4.872 4.350 0.000 0.000 0.271 1215 E C -1.085 175.441 176.600 -0.124 0.000 0.919 1215 E CA -0.727 55.646 56.400 -0.044 0.000 0.781 1215 E CB 2.359 32.030 29.700 -0.048 0.000 1.140 1215 E HN 0.363 nan 8.360 nan 0.000 0.402 1216 L N 2.490 123.604 121.223 -0.182 0.000 2.461 1216 L HA 0.251 4.591 4.340 0.000 0.000 0.272 1216 L C 0.656 177.436 176.870 -0.151 0.000 1.197 1216 L CA -0.137 54.563 54.840 -0.234 0.000 0.836 1216 L CB 0.238 42.109 42.059 -0.313 0.000 1.105 1216 L HN 0.309 nan 8.230 nan 0.000 0.477 1217 R N 2.532 122.948 120.500 -0.141 0.000 2.860 1217 R HA 0.073 4.413 4.340 0.000 0.000 0.282 1217 R C 0.986 177.240 176.300 -0.077 0.000 1.408 1217 R CA -0.295 55.743 56.100 -0.103 0.000 1.636 1217 R CB 0.858 31.091 30.300 -0.112 0.000 1.187 1217 R HN 0.639 nan 8.270 nan 0.000 0.611 1218 Q N 0.446 120.196 119.800 -0.083 0.000 2.291 1218 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 1218 Q C 0.328 176.308 176.000 -0.032 0.000 0.976 1218 Q CA 1.558 57.320 55.803 -0.068 0.000 0.875 1218 Q CB 0.100 28.779 28.738 -0.099 0.000 0.927 1218 Q HN 0.381 nan 8.270 nan 0.000 0.450 1219 D N 0.566 120.949 120.400 -0.029 0.000 2.355 1219 D HA -0.038 4.602 4.640 0.000 0.000 0.218 1219 D C 1.546 177.850 176.300 0.008 0.000 1.004 1219 D CA 0.162 54.156 54.000 -0.011 0.000 0.880 1219 D CB -0.106 40.684 40.800 -0.016 0.000 0.911 1219 D HN 0.324 nan 8.370 nan 0.000 0.528 1220 L N 0.595 121.824 121.223 0.010 0.000 2.640 1220 L HA 0.188 4.528 4.340 0.000 0.000 0.230 1220 L C 0.543 177.448 176.870 0.059 0.000 1.123 1220 L CA -0.269 54.592 54.840 0.035 0.000 0.900 1220 L CB 0.773 42.853 42.059 0.035 0.000 1.146 1220 L HN -0.192 nan 8.230 nan 0.000 0.484 1221 V N 3.325 123.276 119.914 0.062 0.000 2.540 1221 V HA -0.016 4.104 4.120 0.000 0.000 0.297 1221 V C 0.408 176.564 176.094 0.103 0.000 1.024 1221 V CA 0.427 62.794 62.300 0.111 0.000 1.105 1221 V CB 0.412 32.329 31.823 0.157 0.000 0.938 1221 V HN 0.336 nan 8.190 nan 0.000 0.482 1222 K N 6.253 126.707 120.400 0.091 0.000 2.422 1222 K HA 0.682 5.002 4.320 0.000 0.000 0.251 1222 K C -1.483 175.139 176.600 0.036 0.000 0.933 1222 K CA -0.827 55.499 56.287 0.064 0.000 0.798 1222 K CB 2.597 35.124 32.500 0.045 0.000 1.238 1222 K HN 0.447 nan 8.250 nan 0.000 0.428 1223 I N 2.440 123.027 120.570 0.027 0.000 2.410 1223 I HA 0.235 4.405 4.170 0.000 0.000 0.286 1223 I C -0.327 175.769 176.117 -0.035 0.000 1.009 1223 I CA -0.597 60.693 61.300 -0.017 0.000 1.111 1223 I CB 2.112 40.126 38.000 0.022 0.000 1.262 1223 I HN 0.878 nan 8.210 nan 0.000 0.443 1224 T N 0.387 114.901 114.554 -0.066 0.000 2.901 1224 T HA 0.448 4.798 4.350 0.000 0.000 0.293 1224 T C -0.417 174.217 174.700 -0.109 0.000 1.084 1224 T CA -0.890 61.169 62.100 -0.067 0.000 1.008 1224 T CB 2.255 71.100 68.868 -0.038 0.000 1.170 1224 T HN 0.235 nan 8.240 nan 0.000 0.509 1225 D N 0.616 120.962 120.400 -0.089 0.000 2.363 1225 D HA 0.405 5.045 4.640 0.000 0.000 0.240 1225 D C 0.489 176.751 176.300 -0.065 0.000 1.236 1225 D CA -0.145 53.804 54.000 -0.085 0.000 0.927 1225 D CB 0.551 41.343 40.800 -0.013 0.000 1.150 1225 D HN 0.879 nan 8.370 nan 0.000 0.458 1226 A N 1.561 124.348 122.820 -0.056 0.000 3.026 1226 A HA 0.255 4.575 4.320 0.000 0.000 0.272 1226 A C 0.365 177.933 177.584 -0.027 0.000 1.782 1226 A CA 0.062 52.076 52.037 -0.039 0.000 1.451 1226 A CB -1.266 17.712 19.000 -0.037 0.000 1.081 1226 A HN 0.665 nan 8.150 nan 0.000 0.611 1227 N N -2.021 116.664 118.700 -0.025 0.000 3.405 1227 N HA 0.015 4.755 4.740 0.000 0.000 0.133 1227 N C 0.655 176.155 175.510 -0.018 0.000 1.158 1227 N CA 0.846 53.884 53.050 -0.019 0.000 3.146 1227 N CB -1.125 37.352 38.487 -0.017 0.000 1.253 1227 N HN 1.358 nan 8.380 nan 0.000 0.897 1228 G N -0.600 108.187 108.800 -0.020 0.000 2.232 1228 G HA2 -0.301 3.659 3.960 0.000 0.000 0.226 1228 G HA3 -0.301 3.659 3.960 0.000 0.000 0.226 1228 G C -0.207 174.685 174.900 -0.014 0.000 0.996 1228 G CA 0.071 45.160 45.100 -0.018 0.000 0.626 1228 G HN 0.522 nan 8.290 nan 0.000 0.509 1229 N N 1.942 120.636 118.700 -0.010 0.000 2.415 1229 N HA 0.404 5.144 4.740 0.000 0.000 0.248 1229 N C 0.341 175.852 175.510 0.001 0.000 1.271 1229 N CA 0.237 53.288 53.050 0.001 0.000 0.913 1229 N CB 0.346 38.841 38.487 0.013 0.000 1.129 1229 N HN 0.561 nan 8.380 nan 0.000 0.444 1230 E N 0.055 120.262 120.200 0.012 0.000 2.313 1230 E HA 0.211 4.561 4.350 0.000 0.000 0.276 1230 E C -0.519 176.102 176.600 0.034 0.000 1.031 1230 E CA -0.471 55.939 56.400 0.016 0.000 0.857 1230 E CB 1.219 30.933 29.700 0.023 0.000 1.040 1230 E HN 0.148 nan 8.360 nan 0.000 0.408 1231 V N 2.799 122.723 119.914 0.017 0.000 2.481 1231 V HA 0.217 4.337 4.120 0.000 0.000 0.286 1231 V C 0.578 176.726 176.094 0.089 0.000 1.042 1231 V CA -0.309 62.014 62.300 0.040 0.000 0.928 1231 V CB 1.514 33.273 31.823 -0.106 0.000 0.986 1231 V HN 0.854 nan 8.190 nan 0.000 0.462 1232 T N 0.719 115.356 114.554 0.140 0.000 2.949 1232 T HA 0.688 5.038 4.350 0.000 0.000 0.287 1232 T C 0.809 175.614 174.700 0.175 0.000 1.034 1232 T CA 0.132 62.309 62.100 0.129 0.000 1.018 1232 T CB 1.689 70.614 68.868 0.096 0.000 1.135 1232 T HN 1.783 nan 8.240 nan 0.000 0.532 1233 G N -0.357 108.531 108.800 0.148 0.000 2.159 1233 G HA2 -0.156 3.804 3.960 0.000 0.000 0.256 1233 G HA3 -0.156 3.804 3.960 0.000 0.000 0.256 1233 G C -0.079 174.925 174.900 0.174 0.000 0.977 1233 G CA 0.005 45.201 45.100 0.161 0.000 0.652 1233 G HN 1.227 nan 8.290 nan 0.000 0.531 1234 V N 2.073 122.094 119.914 0.178 0.000 2.376 1234 V HA 0.658 4.778 4.120 0.000 0.000 0.287 1234 V C 0.618 176.821 176.094 0.181 0.000 1.015 1234 V CA -0.146 62.270 62.300 0.192 0.000 0.834 1234 V CB 1.540 33.520 31.823 0.263 0.000 1.001 1234 V HN 0.840 nan 8.190 nan 0.000 0.428 1235 S N 4.254 120.040 115.700 0.143 0.000 2.616 1235 S HA 0.730 5.200 4.470 0.000 0.000 0.277 1235 S C -0.472 174.169 174.600 0.069 0.000 1.234 1235 S CA -0.710 57.549 58.200 0.098 0.000 1.028 1235 S CB 2.116 65.353 63.200 0.062 0.000 0.988 1235 S HN 0.589 nan 8.310 nan 0.000 0.522 1236 V N 1.369 121.258 119.914 -0.041 0.000 2.459 1236 V HA 0.555 4.675 4.120 0.000 0.000 0.295 1236 V C -1.582 174.358 176.094 -0.257 0.000 1.029 1236 V CA -0.502 61.631 62.300 -0.278 0.000 0.874 1236 V CB 1.526 33.123 31.823 -0.376 0.000 0.985 1236 V HN 1.052 nan 8.190 nan 0.000 0.438 1237 D N 3.907 124.120 120.400 -0.313 0.000 2.619 1237 D HA 0.487 5.127 4.640 0.000 0.000 0.241 1237 D C -1.077 174.865 176.300 -0.597 0.000 1.087 1237 D CA -0.319 53.430 54.000 -0.419 0.000 0.851 1237 D CB 1.512 42.077 40.800 -0.391 0.000 1.474 1237 D HN 0.706 nan 8.370 nan 0.000 0.478 1238 N N 1.181 119.490 118.700 -0.652 0.000 2.417 1238 N HA 0.399 5.140 4.740 0.000 0.000 0.274 1238 N C -1.339 173.729 175.510 -0.736 0.000 0.987 1238 N CA -0.613 52.118 53.050 -0.531 0.000 0.912 1238 N CB 1.113 39.431 38.487 -0.282 0.000 1.177 1238 N HN 0.286 nan 8.380 nan 0.000 0.490 1239 Y N -0.057 119.990 120.300 -0.423 0.000 2.377 1239 Y HA 0.244 4.794 4.550 0.000 0.000 0.339 1239 Y C 1.738 177.404 175.900 -0.389 0.000 1.011 1239 Y CA -0.976 56.821 58.100 -0.505 0.000 1.093 1239 Y CB 1.623 39.572 38.460 -0.852 0.000 1.201 1239 Y HN 0.572 nan 8.280 nan 0.000 0.455 1240 T N -2.471 112.041 114.554 -0.071 0.000 3.043 1240 T HA 0.141 4.491 4.350 0.000 0.000 0.263 1240 T C 0.427 175.111 174.700 -0.027 0.000 1.094 1240 T CA 0.753 62.827 62.100 -0.044 0.000 1.127 1240 T CB -0.153 68.705 68.868 -0.017 0.000 0.905 1240 T HN 0.566 nan 8.240 nan 0.000 0.490 1241 S N -0.668 115.031 115.700 -0.003 0.000 2.611 1241 S HA 0.519 4.989 4.470 0.000 0.000 0.268 1241 S C 0.189 174.876 174.600 0.146 0.000 1.156 1241 S CA -0.794 57.450 58.200 0.073 0.000 0.817 1241 S CB 1.227 64.451 63.200 0.040 0.000 1.122 1241 S HN -0.008 nan 8.310 nan 0.000 0.466 1242 L N 1.408 122.769 121.223 0.230 0.000 2.083 1242 L HA 0.076 4.416 4.340 0.000 0.000 0.209 1242 L C 2.482 179.381 176.870 0.048 0.000 1.083 1242 L CA 2.727 57.694 54.840 0.211 0.000 0.752 1242 L CB -1.090 41.009 42.059 0.068 0.000 0.899 1242 L HN 1.031 nan 8.230 nan 0.000 0.433 1243 E N -0.016 120.197 120.200 0.023 0.000 2.110 1243 E HA -0.176 4.174 4.350 0.000 0.000 0.193 1243 E C 1.960 178.550 176.600 -0.017 0.000 0.988 1243 E CA 1.468 57.864 56.400 -0.007 0.000 0.804 1243 E CB -0.358 29.340 29.700 -0.003 0.000 0.745 1243 E HN 0.478 nan 8.360 nan 0.000 0.458 1244 A N 0.219 123.037 122.820 -0.003 0.000 2.168 1244 A HA 0.353 4.673 4.320 0.000 0.000 0.215 1244 A C 1.258 178.825 177.584 -0.029 0.000 1.152 1244 A CA 0.700 52.744 52.037 0.012 0.000 0.716 1244 A CB -0.578 18.453 19.000 0.052 0.000 0.794 1244 A HN 0.363 nan 8.150 nan 0.000 0.465 1245 A N 0.822 123.533 122.820 -0.182 0.000 2.354 1245 A HA 0.597 4.917 4.320 0.000 0.000 0.269 1245 A C -2.386 175.034 177.584 -0.273 0.000 1.109 1245 A CA -1.583 50.136 52.037 -0.530 0.000 0.800 1245 A CB 0.006 18.652 19.000 -0.590 0.000 1.045 1245 A HN 0.218 nan 8.150 nan 0.000 0.489 1246 P HA 0.110 nan 4.420 nan 0.000 0.272 1246 P C 0.545 177.781 177.300 -0.107 0.000 1.240 1246 P CA -0.203 62.837 63.100 -0.101 0.000 0.791 1246 P CB 0.531 32.210 31.700 -0.034 0.000 0.978 1247 Q N 1.513 121.273 119.800 -0.067 0.000 2.077 1247 Q HA -0.279 4.061 4.340 0.000 0.000 0.206 1247 Q C 1.978 177.934 176.000 -0.074 0.000 0.989 1247 Q CA 2.348 58.111 55.803 -0.065 0.000 0.853 1247 Q CB -0.827 27.886 28.738 -0.042 0.000 0.907 1247 Q HN 0.609 nan 8.270 nan 0.000 0.418 1248 E N -0.627 119.541 120.200 -0.053 0.000 2.097 1248 E HA -0.209 4.141 4.350 0.000 0.000 0.196 1248 E C 1.724 178.259 176.600 -0.109 0.000 1.000 1248 E CA 1.541 57.913 56.400 -0.047 0.000 0.804 1248 E CB -0.119 29.587 29.700 0.010 0.000 0.740 1248 E HN 0.502 nan 8.360 nan 0.000 0.454 1249 I N 0.915 121.406 120.570 -0.131 0.000 2.286 1249 I HA -0.167 4.003 4.170 0.000 0.000 0.245 1249 I C 2.550 178.536 176.117 -0.218 0.000 1.104 1249 I CA 1.057 62.236 61.300 -0.200 0.000 1.397 1249 I CB -0.979 36.899 38.000 -0.204 0.000 1.072 1249 I HN 0.165 nan 8.210 nan 0.000 0.417 1250 R N 0.602 120.996 120.500 -0.178 0.000 2.081 1250 R HA -0.173 4.167 4.340 0.000 0.000 0.235 1250 R C 1.871 178.070 176.300 -0.168 0.000 1.131 1250 R CA 1.448 57.448 56.100 -0.166 0.000 0.960 1250 R CB -0.214 30.011 30.300 -0.126 0.000 0.856 1250 R HN 0.353 nan 8.270 nan 0.000 0.436 1251 D N 0.160 120.473 120.400 -0.145 0.000 2.084 1251 D HA -0.126 4.514 4.640 0.000 0.000 0.194 1251 D C 2.011 178.211 176.300 -0.167 0.000 0.990 1251 D CA 1.058 54.979 54.000 -0.131 0.000 0.826 1251 D CB -0.339 40.404 40.800 -0.096 0.000 0.971 1251 D HN -0.046 nan 8.370 nan 0.000 0.453 1252 V N 1.113 120.894 119.914 -0.222 0.000 2.282 1252 V HA -0.247 3.873 4.120 0.000 0.000 0.249 1252 V C 2.667 178.591 176.094 -0.283 0.000 1.057 1252 V CA 1.294 63.421 62.300 -0.287 0.000 1.032 1252 V CB -0.525 30.964 31.823 -0.557 0.000 0.645 1252 V HN 0.218 nan 8.190 nan 0.000 0.447 1253 L N -0.283 120.753 121.223 -0.311 0.000 2.017 1253 L HA -0.188 4.152 4.340 0.000 0.000 0.208 1253 L C 2.750 179.460 176.870 -0.266 0.000 1.073 1253 L CA 1.959 56.603 54.840 -0.327 0.000 0.745 1253 L CB -0.715 41.116 42.059 -0.379 0.000 0.894 1253 L HN 0.409 nan 8.230 nan 0.000 0.432 1254 S N 0.054 115.625 115.700 -0.215 0.000 2.359 1254 S HA -0.210 4.260 4.470 0.000 0.000 0.224 1254 S C 1.944 176.457 174.600 -0.146 0.000 1.035 1254 S CA 1.479 59.578 58.200 -0.169 0.000 1.018 1254 S CB -0.059 63.060 63.200 -0.136 0.000 0.876 1254 S HN 0.330 nan 8.310 nan 0.000 0.448 1255 K N 0.619 120.938 120.400 -0.135 0.000 2.362 1255 K HA 0.111 4.431 4.320 0.000 0.000 0.200 1255 K C 1.847 178.378 176.600 -0.115 0.000 1.046 1255 K CA 0.900 57.123 56.287 -0.107 0.000 0.952 1255 K CB -0.166 32.281 32.500 -0.088 0.000 0.753 1255 K HN 0.427 nan 8.250 nan 0.000 0.466 1256 A N 0.494 123.223 122.820 -0.152 0.000 2.275 1256 A HA 0.238 4.558 4.320 0.000 0.000 0.212 1256 A C 1.274 178.753 177.584 -0.176 0.000 1.201 1256 A CA 0.540 52.480 52.037 -0.162 0.000 0.843 1256 A CB -0.121 18.768 19.000 -0.184 0.000 0.873 1256 A HN 0.334 nan 8.150 nan 0.000 0.492 1257 G N -0.394 108.305 108.800 -0.169 0.000 2.221 1257 G HA2 -0.227 3.734 3.960 0.000 0.000 0.265 1257 G HA3 -0.227 3.734 3.960 0.000 0.000 0.265 1257 G C -0.056 174.719 174.900 -0.208 0.000 1.041 1257 G CA 0.521 45.526 45.100 -0.157 0.000 0.807 1257 G HN 0.514 nan 8.290 nan 0.000 0.502 1258 I N -0.310 120.076 120.570 -0.308 0.000 2.389 1258 I HA 0.488 4.658 4.170 0.000 0.000 0.288 1258 I C 0.468 176.318 176.117 -0.445 0.000 0.999 1258 I CA -0.840 60.166 61.300 -0.490 0.000 1.129 1258 I CB 1.915 39.464 38.000 -0.752 0.000 1.288 1258 I HN 0.117 nan 8.210 nan 0.000 0.444 1259 R N 7.701 127.973 120.500 -0.379 0.000 2.412 1259 R HA 0.479 4.819 4.340 0.000 0.000 0.304 1259 R C -2.654 173.468 176.300 -0.296 0.000 1.066 1259 R CA -1.427 54.482 56.100 -0.317 0.000 0.923 1259 R CB 1.223 31.405 30.300 -0.197 0.000 1.156 1259 R HN 0.288 nan 8.270 nan 0.000 0.513 1260 P HA 0.048 nan 4.420 nan 0.000 0.269 1260 P C -1.129 176.096 177.300 -0.125 0.000 1.215 1260 P CA -0.104 62.825 63.100 -0.284 0.000 0.780 1260 P CB 0.643 32.014 31.700 -0.549 0.000 0.898 1261 K N 1.663 122.037 120.400 -0.042 0.000 2.183 1261 K HA 0.502 4.822 4.320 0.000 0.000 0.274 1261 K C 1.028 177.628 176.600 0.001 0.000 1.009 1261 K CA -0.401 55.875 56.287 -0.018 0.000 0.888 1261 K CB 0.963 33.458 32.500 -0.010 0.000 1.078 1261 K HN 0.720 nan 8.250 nan 0.000 0.459 1262 G N 2.625 111.431 108.800 0.010 0.000 2.622 1262 G HA2 -0.371 3.589 3.960 0.000 0.000 0.307 1262 G HA3 -0.371 3.589 3.960 0.000 0.000 0.307 1262 G C -0.045 174.882 174.900 0.046 0.000 1.226 1262 G CA 0.084 45.184 45.100 0.001 0.000 0.997 1262 G HN 0.858 nan 8.290 nan 0.000 0.551 1263 A N -0.035 122.713 122.820 -0.120 0.000 2.286 1263 A HA 0.923 5.243 4.320 0.000 0.000 0.286 1263 A C -0.270 177.219 177.584 -0.158 0.000 1.097 1263 A CA 0.802 52.719 52.037 -0.200 0.000 0.821 1263 A CB 0.463 19.244 19.000 -0.364 0.000 1.076 1263 A HN 2.215 nan 8.150 nan 0.000 0.490 1264 F N -1.858 118.081 119.950 -0.019 0.000 2.708 1264 F HA 0.541 5.068 4.527 0.000 0.000 0.309 1264 F C -0.981 175.010 175.800 0.318 0.000 1.120 1264 F CA -0.918 57.186 58.000 0.173 0.000 0.978 1264 F CB 0.929 39.984 39.000 0.092 0.000 1.283 1264 F HN 0.561 nan 8.300 nan 0.000 0.439 1265 Q N 3.028 123.117 119.800 0.482 0.000 2.245 1265 Q HA 0.651 4.991 4.340 0.000 0.000 0.256 1265 Q C -1.089 175.079 176.000 0.280 0.000 0.942 1265 Q CA -1.091 54.815 55.803 0.171 0.000 0.896 1265 Q CB 2.694 31.453 28.738 0.036 0.000 1.272 1265 Q HN 0.523 nan 8.270 nan 0.000 0.442 1266 I N 2.578 123.206 120.570 0.096 0.000 2.436 1266 I HA 0.368 4.538 4.170 0.000 0.000 0.289 1266 I C -0.809 175.296 176.117 -0.020 0.000 1.010 1266 I CA -0.533 60.910 61.300 0.237 0.000 1.098 1266 I CB 0.950 39.204 38.000 0.424 0.000 1.266 1266 I HN 0.542 nan 8.210 nan 0.000 0.434 1267 F N 5.342 125.450 119.950 0.264 0.000 2.427 1267 F HA 0.554 5.081 4.527 0.000 0.000 0.346 1267 F C 0.609 176.557 175.800 0.246 0.000 1.120 1267 F CA -0.628 57.507 58.000 0.225 0.000 1.033 1267 F CB 1.403 40.532 39.000 0.216 0.000 1.126 1267 F HN 0.342 nan 8.300 nan 0.000 0.462 1268 R N 2.414 123.096 120.500 0.303 0.000 2.561 1268 R HA 0.774 5.114 4.340 0.000 0.000 0.297 1268 R C -1.205 175.101 176.300 0.010 0.000 0.969 1268 R CA -0.836 55.331 56.100 0.111 0.000 0.879 1268 R CB 1.534 31.927 30.300 0.155 0.000 1.178 1268 R HN 0.782 nan 8.270 nan 0.000 0.445 1269 A N 3.532 126.242 122.820 -0.183 0.000 2.404 1269 A HA 0.146 4.467 4.320 0.000 0.000 0.273 1269 A C 0.198 177.732 177.584 -0.084 0.000 1.144 1269 A CA -0.417 51.494 52.037 -0.209 0.000 0.806 1269 A CB 0.364 18.968 19.000 -0.659 0.000 1.080 1269 A HN 0.892 nan 8.150 nan 0.000 0.509 1270 D N 1.007 121.420 120.400 0.022 0.000 2.183 1270 D HA -0.072 4.568 4.640 0.000 0.000 0.203 1270 D C 0.194 176.529 176.300 0.058 0.000 0.969 1270 D CA 1.349 55.375 54.000 0.044 0.000 0.842 1270 D CB 0.191 41.031 40.800 0.067 0.000 0.957 1270 D HN 0.553 nan 8.370 nan 0.000 0.484 1271 N N 0.073 118.830 118.700 0.094 0.000 2.626 1271 N HA 0.144 4.884 4.740 0.000 0.000 0.249 1271 N C -2.166 173.451 175.510 0.178 0.000 1.021 1271 N CA -1.967 51.151 53.050 0.113 0.000 0.886 1271 N CB 1.976 40.526 38.487 0.106 0.000 1.149 1271 N HN -0.288 nan 8.380 nan 0.000 0.517 1272 P HA -0.202 nan 4.420 nan 0.000 0.215 1272 P C 1.307 178.850 177.300 0.405 0.000 1.163 1272 P CA 1.309 64.609 63.100 0.333 0.000 0.894 1272 P CB 0.372 32.175 31.700 0.173 0.000 0.791 1273 R N 0.788 121.438 120.500 0.250 0.000 2.103 1273 R HA -0.207 4.133 4.340 0.000 0.000 0.242 1273 R C 2.186 178.622 176.300 0.226 0.000 1.142 1273 R CA 2.334 58.568 56.100 0.224 0.000 0.960 1273 R CB -1.424 28.953 30.300 0.128 0.000 0.858 1273 R HN 0.276 nan 8.270 nan 0.000 0.439 1274 E N -1.349 118.955 120.200 0.174 0.000 2.152 1274 E HA -0.164 4.186 4.350 0.000 0.000 0.192 1274 E C 1.775 178.419 176.600 0.074 0.000 0.983 1274 E CA 0.901 57.361 56.400 0.101 0.000 0.818 1274 E CB -0.337 29.413 29.700 0.083 0.000 0.758 1274 E HN 0.431 nan 8.360 nan 0.000 0.467 1275 F N 0.279 120.235 119.950 0.010 0.000 2.113 1275 F HA -0.173 4.354 4.527 0.000 0.000 0.297 1275 F C 2.114 177.787 175.800 -0.210 0.000 1.103 1275 F CA 1.685 59.650 58.000 -0.059 0.000 1.248 1275 F CB -0.453 38.511 39.000 -0.060 0.000 0.999 1275 F HN 0.120 nan 8.300 nan 0.000 0.475 1276 Y N 1.354 121.608 120.300 -0.077 0.000 2.097 1276 Y HA -0.299 4.251 4.550 0.000 0.000 0.282 1276 Y C 2.288 178.084 175.900 -0.174 0.000 1.152 1276 Y CA 2.265 60.258 58.100 -0.179 0.000 1.136 1276 Y CB -0.781 37.771 38.460 0.152 0.000 0.975 1276 Y HN 0.062 nan 8.280 nan 0.000 0.498 1277 D N -0.863 119.529 120.400 -0.013 0.000 2.123 1277 D HA -0.156 4.484 4.640 0.000 0.000 0.196 1277 D C 2.090 178.190 176.300 -0.332 0.000 0.992 1277 D CA 2.074 55.993 54.000 -0.134 0.000 0.833 1277 D CB -0.384 40.400 40.800 -0.027 0.000 0.954 1277 D HN 0.426 nan 8.370 nan 0.000 0.455 1278 T N -0.906 113.366 114.554 -0.470 0.000 2.896 1278 T HA -0.065 4.285 4.350 0.000 0.000 0.263 1278 T C 1.198 175.323 174.700 -0.958 0.000 1.050 1278 T CA 0.893 62.525 62.100 -0.779 0.000 1.140 1278 T CB 0.012 68.231 68.868 -1.081 0.000 0.877 1278 T HN 0.210 nan 8.240 nan 0.000 0.457 1279 Y N -0.934 119.000 120.300 -0.610 0.000 2.441 1279 Y HA 0.397 4.947 4.550 0.000 0.000 0.266 1279 Y C 1.992 177.543 175.900 -0.581 0.000 1.093 1279 Y CA -0.595 57.115 58.100 -0.650 0.000 1.246 1279 Y CB 0.103 37.981 38.460 -0.971 0.000 1.262 1279 Y HN -0.064 nan 8.280 nan 0.000 0.518 1280 V N 1.289 120.885 119.914 -0.530 0.000 2.283 1280 V HA -0.195 3.925 4.120 0.000 0.000 0.239 1280 V C 2.192 178.096 176.094 -0.316 0.000 1.035 1280 V CA 2.165 64.221 62.300 -0.407 0.000 1.018 1280 V CB -0.593 30.914 31.823 -0.526 0.000 0.658 1280 V HN 0.336 nan 8.190 nan 0.000 0.459 1281 K N 1.555 121.583 120.400 -0.620 0.000 2.442 1281 K HA -0.147 4.173 4.320 0.000 0.000 0.198 1281 K C 1.551 178.018 176.600 -0.221 0.000 1.044 1281 K CA 1.832 57.863 56.287 -0.427 0.000 0.948 1281 K CB -0.458 31.691 32.500 -0.585 0.000 0.762 1281 K HN 0.624 nan 8.250 nan 0.000 0.472 1282 T N -3.624 110.789 114.554 -0.235 0.000 3.044 1282 T HA 0.219 4.570 4.350 0.000 0.000 0.250 1282 T C 1.294 175.933 174.700 -0.102 0.000 1.081 1282 T CA 0.052 62.057 62.100 -0.158 0.000 1.040 1282 T CB 0.125 68.879 68.868 -0.190 0.000 0.962 1282 T HN 0.387 nan 8.240 nan 0.000 0.506 1283 G N 1.960 110.708 108.800 -0.086 0.000 2.273 1283 G HA2 -0.221 3.739 3.960 0.000 0.000 0.280 1283 G HA3 -0.221 3.739 3.960 0.000 0.000 0.280 1283 G C -0.059 174.809 174.900 -0.055 0.000 1.047 1283 G CA 0.057 45.133 45.100 -0.040 0.000 0.869 1283 G HN 0.691 nan 8.290 nan 0.000 0.502 1284 I N 1.186 121.712 120.570 -0.074 0.000 2.291 1284 I HA 0.167 4.337 4.170 0.000 0.000 0.292 1284 I C 0.036 176.095 176.117 -0.096 0.000 1.064 1284 I CA -0.867 60.401 61.300 -0.054 0.000 1.269 1284 I CB 0.523 38.533 38.000 0.017 0.000 1.418 1284 I HN -0.010 nan 8.210 nan 0.000 0.485 1285 D N 6.972 127.332 120.400 -0.068 0.000 2.449 1285 D HA 0.223 4.863 4.640 0.000 0.000 0.236 1285 D C -0.076 176.158 176.300 -0.110 0.000 1.149 1285 D CA 0.438 54.405 54.000 -0.056 0.000 0.878 1285 D CB 0.892 41.686 40.800 -0.011 0.000 1.198 1285 D HN 0.283 nan 8.370 nan 0.000 0.446 1286 L N 1.769 122.937 121.223 -0.093 0.000 2.330 1286 L HA 0.429 4.769 4.340 0.000 0.000 0.271 1286 L C 0.375 177.199 176.870 -0.077 0.000 1.013 1286 L CA -1.011 53.744 54.840 -0.141 0.000 0.816 1286 L CB 1.322 43.265 42.059 -0.192 0.000 1.287 1286 L HN -0.012 nan 8.230 nan 0.000 0.435 1287 K N 3.434 123.770 120.400 -0.106 0.000 2.274 1287 K HA 0.585 4.905 4.320 0.000 0.000 0.262 1287 K C -0.857 175.656 176.600 -0.146 0.000 0.961 1287 K CA -0.349 55.876 56.287 -0.103 0.000 0.833 1287 K CB 2.317 34.781 32.500 -0.062 0.000 1.102 1287 K HN 0.474 nan 8.250 nan 0.000 0.436 1288 I N 2.931 123.366 120.570 -0.225 0.000 2.362 1288 I HA 0.227 4.397 4.170 0.000 0.000 0.289 1288 I C -0.183 175.858 176.117 -0.126 0.000 0.994 1288 I CA -1.152 59.983 61.300 -0.276 0.000 1.158 1288 I CB 1.732 39.340 38.000 -0.653 0.000 1.315 1288 I HN 0.028 nan 8.210 nan 0.000 0.451 1289 V N 5.011 124.909 119.914 -0.028 0.000 2.394 1289 V HA 0.286 4.406 4.120 0.000 0.000 0.282 1289 V C 0.271 176.426 176.094 0.101 0.000 1.031 1289 V CA -0.235 62.101 62.300 0.060 0.000 0.881 1289 V CB 1.537 33.413 31.823 0.088 0.000 0.982 1289 V HN 0.776 nan 8.190 nan 0.000 0.451 1290 S N 7.026 122.813 115.700 0.145 0.000 2.259 1290 S HA 0.496 4.966 4.470 0.000 0.000 0.181 1290 S C -2.713 171.946 174.600 0.098 0.000 1.589 1290 S CA -1.256 57.045 58.200 0.169 0.000 1.234 1290 S CB 0.881 64.249 63.200 0.279 0.000 1.119 1290 S HN 0.535 nan 8.310 nan 0.000 0.458 1291 P HA 0.406 nan 4.420 nan 0.000 0.275 1291 P C -0.834 176.336 177.300 -0.216 0.000 1.227 1291 P CA -0.155 62.815 63.100 -0.217 0.000 0.781 1291 P CB 0.633 32.149 31.700 -0.306 0.000 0.906 1292 M N 1.635 121.060 119.600 -0.292 0.000 2.324 1292 M HA 0.325 4.805 4.480 0.000 0.000 0.288 1292 M C -1.045 175.105 176.300 -0.250 0.000 1.097 1292 M CA -0.974 54.196 55.300 -0.218 0.000 0.928 1292 M CB 2.427 34.965 32.600 -0.103 0.000 1.648 1292 M HN -0.081 nan 8.290 nan 0.000 0.460 1293 V N 3.009 122.809 119.914 -0.190 0.000 2.567 1293 V HA 0.335 4.455 4.120 0.000 0.000 0.289 1293 V C 0.151 176.156 176.094 -0.148 0.000 1.049 1293 V CA -0.880 61.323 62.300 -0.162 0.000 0.969 1293 V CB 1.657 33.409 31.823 -0.119 0.000 0.995 1293 V HN 0.634 nan 8.190 nan 0.000 0.471 1294 V N 4.780 124.613 119.914 -0.135 0.000 2.521 1294 V HA 0.123 4.244 4.120 0.000 0.000 0.286 1294 V C 0.667 176.711 176.094 -0.082 0.000 1.034 1294 V CA -0.511 61.706 62.300 -0.139 0.000 1.045 1294 V CB 0.336 32.112 31.823 -0.079 0.000 0.974 1294 V HN 0.810 nan 8.190 nan 0.000 0.480 1295 K N 3.619 123.971 120.400 -0.081 0.000 2.485 1295 K HA -0.003 4.317 4.320 0.000 0.000 0.277 1295 K C 1.361 177.937 176.600 -0.040 0.000 0.990 1295 K CA 0.012 56.267 56.287 -0.054 0.000 0.994 1295 K CB 0.568 33.042 32.500 -0.042 0.000 0.906 1295 K HN 0.644 nan 8.250 nan 0.000 0.488 1296 K N 2.624 122.989 120.400 -0.058 0.000 2.103 1296 K HA -0.297 4.023 4.320 0.000 0.000 0.207 1296 K C 1.918 178.488 176.600 -0.051 0.000 1.048 1296 K CA 1.742 57.977 56.287 -0.086 0.000 0.930 1296 K CB 0.064 32.476 32.500 -0.147 0.000 0.716 1296 K HN 0.608 nan 8.250 nan 0.000 0.444 1297 Q N -0.066 119.712 119.800 -0.036 0.000 2.152 1297 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 1297 Q C 1.941 177.959 176.000 0.029 0.000 0.985 1297 Q CA 1.722 57.520 55.803 -0.008 0.000 0.863 1297 Q CB -0.012 28.720 28.738 -0.010 0.000 0.904 1297 Q HN 0.367 nan 8.270 nan 0.000 0.422 1298 M N -0.670 118.951 119.600 0.035 0.000 2.279 1298 M HA -0.082 4.398 4.480 0.000 0.000 0.264 1298 M C 2.077 178.436 176.300 0.098 0.000 1.062 1298 M CA 1.388 56.727 55.300 0.065 0.000 1.099 1298 M CB -0.998 31.641 32.600 0.065 0.000 1.394 1298 M HN 0.372 nan 8.290 nan 0.000 0.426 1299 G N -0.535 108.343 108.800 0.130 0.000 2.448 1299 G HA2 -0.151 3.809 3.960 0.000 0.000 0.218 1299 G HA3 -0.151 3.809 3.960 0.000 0.000 0.218 1299 G C 1.536 176.586 174.900 0.250 0.000 1.135 1299 G CA 0.193 45.435 45.100 0.237 0.000 0.784 1299 G HN 0.376 nan 8.290 nan 0.000 0.543 1300 Q N 0.512 120.417 119.800 0.175 0.000 2.049 1300 Q HA -0.075 4.266 4.340 0.000 0.000 0.198 1300 Q C 2.875 178.923 176.000 0.081 0.000 0.971 1300 Q CA 1.935 57.816 55.803 0.130 0.000 0.833 1300 Q CB -0.803 27.977 28.738 0.071 0.000 0.896 1300 Q HN 0.649 nan 8.270 nan 0.000 0.434 1301 T N -2.829 111.766 114.554 0.068 0.000 3.031 1301 T HA 0.330 4.681 4.350 0.000 0.000 0.254 1301 T C 1.046 175.778 174.700 0.054 0.000 1.060 1301 T CA 0.649 62.781 62.100 0.053 0.000 1.135 1301 T CB 0.011 68.907 68.868 0.047 0.000 0.896 1301 T HN 0.460 nan 8.240 nan 0.000 0.472 1302 G N 0.059 108.899 108.800 0.067 0.000 2.860 1302 G HA2 0.391 4.351 3.960 0.000 0.000 0.553 1302 G HA3 0.391 4.351 3.960 0.000 0.000 0.553 1302 G C 0.061 175.006 174.900 0.076 0.000 1.439 1302 G CA -0.585 44.556 45.100 0.068 0.000 0.879 1302 G HN 1.966 nan 8.290 nan 0.000 0.545 1303 G N -1.679 107.171 108.800 0.083 0.000 2.339 1303 G HA2 0.574 4.534 3.960 0.000 0.000 0.381 1303 G HA3 0.574 4.534 3.960 0.000 0.000 0.381 1303 G C -0.380 174.586 174.900 0.110 0.000 1.400 1303 G CA 0.557 45.710 45.100 0.087 0.000 1.002 1303 G HN 1.852 nan 8.290 nan 0.000 0.633 1304 S N -0.832 114.921 115.700 0.089 0.000 2.713 1304 S HA 0.919 5.389 4.470 0.000 0.000 0.283 1304 S C -0.823 173.876 174.600 0.165 0.000 1.161 1304 S CA -0.088 58.144 58.200 0.054 0.000 0.999 1304 S CB 1.096 64.300 63.200 0.007 0.000 1.039 1304 S HN 1.412 nan 8.310 nan 0.000 0.548 1305 Y N -1.278 119.062 120.300 0.067 0.000 2.552 1305 Y HA 0.729 5.279 4.550 0.000 0.000 0.337 1305 Y C -1.079 174.875 175.900 0.091 0.000 1.094 1305 Y CA -1.026 57.123 58.100 0.081 0.000 1.028 1305 Y CB 0.806 39.328 38.460 0.103 0.000 1.321 1305 Y HN 0.504 nan 8.280 nan 0.000 0.456 1306 E N 1.683 122.021 120.200 0.230 0.000 2.256 1306 E HA 0.432 4.782 4.350 0.000 0.000 0.267 1306 E C -1.646 175.053 176.600 0.164 0.000 0.892 1306 E CA -1.292 55.189 56.400 0.136 0.000 0.775 1306 E CB 2.257 31.995 29.700 0.063 0.000 1.207 1306 E HN 0.608 nan 8.360 nan 0.000 0.420 1307 N N 1.754 120.494 118.700 0.067 0.000 2.295 1307 N HA 0.201 4.941 4.740 0.000 0.000 0.293 1307 N C -1.836 173.604 175.510 -0.116 0.000 1.040 1307 N CA -0.401 52.616 53.050 -0.056 0.000 0.840 1307 N CB 1.656 39.919 38.487 -0.375 0.000 1.468 1307 N HN 0.427 nan 8.380 nan 0.000 0.478 1308 Q N 1.966 121.714 119.800 -0.087 0.000 2.389 1308 Q HA 0.827 5.167 4.340 0.000 0.000 0.277 1308 Q C -1.720 174.200 176.000 -0.134 0.000 1.082 1308 Q CA -0.948 54.768 55.803 -0.144 0.000 0.810 1308 Q CB 1.951 30.591 28.738 -0.163 0.000 1.374 1308 Q HN 0.697 nan 8.270 nan 0.000 0.422 1309 A N 2.185 124.853 122.820 -0.253 0.000 2.346 1309 A HA 0.886 5.206 4.320 0.000 0.000 0.313 1309 A C -1.856 175.387 177.584 -0.567 0.000 1.140 1309 A CA -0.406 51.499 52.037 -0.220 0.000 0.826 1309 A CB 1.064 20.040 19.000 -0.041 0.000 1.332 1309 A HN 0.693 nan 8.150 nan 0.000 0.457 1310 Y N -0.601 119.419 120.300 -0.467 0.000 2.544 1310 Y HA 0.470 5.020 4.550 0.000 0.000 0.342 1310 Y C -0.068 175.336 175.900 -0.826 0.000 1.062 1310 Y CA -0.744 57.086 58.100 -0.451 0.000 1.023 1310 Y CB 2.125 40.418 38.460 -0.277 0.000 1.308 1310 Y HN 0.828 nan 8.280 nan 0.000 0.457 1311 Q N 3.001 122.584 119.800 -0.362 0.000 2.306 1311 Q HA 0.802 5.143 4.340 0.000 0.000 0.265 1311 Q C -1.635 174.420 176.000 0.092 0.000 1.022 1311 Q CA -0.809 54.779 55.803 -0.359 0.000 0.853 1311 Q CB 2.380 30.980 28.738 -0.230 0.000 1.327 1311 Q HN 0.748 nan 8.270 nan 0.000 0.449 1312 I N 2.924 123.588 120.570 0.156 0.000 2.466 1312 I HA 0.316 4.486 4.170 0.000 0.000 0.279 1312 I C -1.343 175.027 176.117 0.423 0.000 1.033 1312 I CA -0.867 60.593 61.300 0.265 0.000 1.123 1312 I CB 1.605 39.699 38.000 0.156 0.000 1.237 1312 I HN 0.601 nan 8.210 nan 0.000 0.460 1313 D N 7.136 127.823 120.400 0.478 0.000 2.344 1313 D HA 0.374 5.014 4.640 0.000 0.000 0.239 1313 D C 0.200 176.566 176.300 0.110 0.000 1.064 1313 D CA -0.337 53.847 54.000 0.306 0.000 0.829 1313 D CB 1.378 42.476 40.800 0.497 0.000 1.129 1313 D HN 0.409 nan 8.370 nan 0.000 0.506 1314 F N 1.447 121.322 119.950 -0.126 0.000 3.084 1314 F HA -0.219 4.308 4.527 0.000 0.000 0.286 1314 F C 1.547 177.327 175.800 -0.034 0.000 0.855 1314 F CA 0.721 58.630 58.000 -0.152 0.000 1.091 1314 F CB -2.069 36.906 39.000 -0.042 0.000 1.177 1314 F HN 0.717 nan 8.300 nan 0.000 0.542 1315 G N -1.356 107.510 108.800 0.109 0.000 2.195 1315 G HA2 -0.309 3.652 3.960 0.000 0.000 0.246 1315 G HA3 -0.309 3.652 3.960 0.000 0.000 0.246 1315 G C 0.093 175.022 174.900 0.049 0.000 0.984 1315 G CA 0.011 45.154 45.100 0.072 0.000 0.633 1315 G HN 0.495 nan 8.290 nan 0.000 0.525 1316 N N 1.386 120.154 118.700 0.114 0.000 2.434 1316 N HA 0.527 5.267 4.740 0.000 0.000 0.272 1316 N C 0.469 175.871 175.510 -0.180 0.000 1.040 1316 N CA 0.638 53.676 53.050 -0.019 0.000 0.956 1316 N CB 1.509 40.066 38.487 0.117 0.000 1.108 1316 N HN 0.474 nan 8.380 nan 0.000 0.481 1317 G N 1.242 109.836 108.800 -0.343 0.000 2.367 1317 G HA2 0.512 4.472 3.960 0.000 0.000 0.314 1317 G HA3 0.512 4.472 3.960 0.000 0.000 0.314 1317 G C -1.266 173.287 174.900 -0.578 0.000 1.130 1317 G CA -0.224 44.693 45.100 -0.304 0.000 0.864 1317 G HN 0.424 nan 8.290 nan 0.000 0.486 1318 Y N 0.317 120.687 120.300 0.117 0.000 2.406 1318 Y HA 0.587 5.137 4.550 0.000 0.000 0.340 1318 Y C 0.437 176.369 175.900 0.053 0.000 0.975 1318 Y CA -0.891 57.268 58.100 0.099 0.000 1.056 1318 Y CB 2.251 40.781 38.460 0.117 0.000 1.210 1318 Y HN 0.766 nan 8.280 nan 0.000 0.448 1319 A N 1.971 124.864 122.820 0.122 0.000 2.306 1319 A HA 0.670 4.990 4.320 0.000 0.000 0.314 1319 A C 0.194 177.675 177.584 -0.170 0.000 1.164 1319 A CA -0.462 51.484 52.037 -0.150 0.000 0.822 1319 A CB 0.424 19.349 19.000 -0.125 0.000 1.130 1319 A HN 0.771 nan 8.150 nan 0.000 0.496 1320 S N 2.550 118.058 115.700 -0.320 0.000 2.681 1320 S HA 0.331 4.801 4.470 0.000 0.000 0.270 1320 S C 0.317 174.826 174.600 -0.151 0.000 1.209 1320 S CA -0.639 57.458 58.200 -0.171 0.000 0.988 1320 S CB 0.364 63.468 63.200 -0.158 0.000 1.006 1320 S HN 0.923 nan 8.310 nan 0.000 0.558 1321 N N 0.404 119.057 118.700 -0.079 0.000 2.381 1321 N HA 0.077 4.817 4.740 0.000 0.000 0.241 1321 N C -0.551 174.908 175.510 -0.084 0.000 1.279 1321 N CA -0.109 52.903 53.050 -0.063 0.000 0.896 1321 N CB -0.094 38.376 38.487 -0.029 0.000 1.118 1321 N HN 0.708 nan 8.380 nan 0.000 0.438 1322 I N 0.437 120.969 120.570 -0.065 0.000 2.336 1322 I HA 0.181 4.351 4.170 0.000 0.000 0.292 1322 I C -0.293 175.804 176.117 -0.033 0.000 0.991 1322 I CA -1.083 60.181 61.300 -0.060 0.000 1.227 1322 I CB 1.684 39.656 38.000 -0.046 0.000 1.366 1322 I HN 0.171 nan 8.210 nan 0.000 0.466 1323 V N 7.602 127.498 119.914 -0.030 0.000 2.398 1323 V HA 0.458 4.578 4.120 0.000 0.000 0.286 1323 V C 0.112 176.218 176.094 0.021 0.000 1.026 1323 V CA -0.398 61.909 62.300 0.012 0.000 0.868 1323 V CB 1.622 33.478 31.823 0.056 0.000 0.982 1323 V HN 0.479 nan 8.190 nan 0.000 0.443 1324 I N 4.880 125.444 120.570 -0.011 0.000 2.562 1324 I HA 0.564 4.734 4.170 0.000 0.000 0.301 1324 I C -0.214 175.811 176.117 -0.153 0.000 1.003 1324 I CA -0.417 60.838 61.300 -0.076 0.000 1.127 1324 I CB 2.108 40.072 38.000 -0.060 0.000 1.304 1324 I HN 0.644 nan 8.210 nan 0.000 0.446 1325 N N 2.449 120.923 118.700 -0.377 0.000 2.853 1325 N HA 0.487 5.227 4.740 0.000 0.000 0.258 1325 N C -1.732 173.494 175.510 -0.473 0.000 1.444 1325 N CA -1.036 51.754 53.050 -0.435 0.000 0.837 1325 N CB 1.850 40.007 38.487 -0.550 0.000 1.489 1325 N HN 0.739 nan 8.380 nan 0.000 0.529 1326 N N -1.588 116.975 118.700 -0.227 0.000 2.357 1326 N HA 0.695 5.436 4.740 0.000 0.000 0.284 1326 N C -1.999 173.548 175.510 0.062 0.000 1.236 1326 N CA -0.791 52.219 53.050 -0.068 0.000 0.774 1326 N CB 1.836 40.308 38.487 -0.026 0.000 1.534 1326 N HN 0.143 nan 8.380 nan 0.000 0.478 1327 V N 0.751 120.740 119.914 0.125 0.000 2.495 1327 V HA 0.596 4.716 4.120 0.000 0.000 0.298 1327 V C -2.259 173.886 176.094 0.085 0.000 1.031 1327 V CA -1.642 60.742 62.300 0.141 0.000 0.871 1327 V CB 1.397 33.331 31.823 0.185 0.000 0.988 1327 V HN 0.746 nan 8.190 nan 0.000 0.432 1328 P HA 0.212 nan 4.420 nan 0.000 0.280 1328 P C -0.746 176.560 177.300 0.010 0.000 1.244 1328 P CA -0.576 62.540 63.100 0.027 0.000 0.784 1328 P CB 0.596 32.299 31.700 0.005 0.000 0.913 1329 K N 4.404 124.806 120.400 0.004 0.000 2.338 1329 K HA 0.217 4.537 4.320 0.000 0.000 0.290 1329 K C -0.367 176.182 176.600 -0.085 0.000 1.069 1329 K CA -0.252 56.030 56.287 -0.008 0.000 0.941 1329 K CB -0.167 32.339 32.500 0.011 0.000 1.023 1329 K HN 0.435 nan 8.250 nan 0.000 0.477 1330 I N 4.441 124.889 120.570 -0.203 0.000 2.297 1330 I HA 0.070 4.240 4.170 0.000 0.000 0.291 1330 I C -0.135 175.791 176.117 -0.318 0.000 1.033 1330 I CA -0.577 60.459 61.300 -0.440 0.000 1.253 1330 I CB 0.933 38.279 38.000 -1.090 0.000 1.396 1330 I HN 0.613 nan 8.210 nan 0.000 0.476 1331 N N 9.128 127.726 118.700 -0.170 0.000 2.804 1331 N HA 0.380 5.120 4.740 0.000 0.000 0.251 1331 N C -2.720 172.774 175.510 -0.028 0.000 1.250 1331 N CA -1.770 51.240 53.050 -0.066 0.000 0.820 1331 N CB 1.113 39.589 38.487 -0.019 0.000 1.156 1331 N HN 0.176 nan 8.380 nan 0.000 0.512 1332 P HA 0.233 nan 4.420 nan 0.000 0.271 1332 P C -0.674 176.685 177.300 0.099 0.000 1.216 1332 P CA 0.075 63.194 63.100 0.032 0.000 0.776 1332 P CB 1.067 32.670 31.700 -0.161 0.000 0.881 1333 K N 1.490 122.021 120.400 0.219 0.000 2.328 1333 K HA 0.542 4.862 4.320 0.000 0.000 0.246 1333 K C -0.488 176.274 176.600 0.270 0.000 0.955 1333 K CA -0.912 55.489 56.287 0.191 0.000 0.817 1333 K CB 2.321 34.898 32.500 0.129 0.000 1.208 1333 K HN 0.269 nan 8.250 nan 0.000 0.432 1334 K N 1.876 122.395 120.400 0.198 0.000 2.426 1334 K HA 0.277 4.597 4.320 0.000 0.000 0.254 1334 K C -1.542 175.135 176.600 0.128 0.000 0.936 1334 K CA -0.536 55.855 56.287 0.173 0.000 0.801 1334 K CB 1.203 33.816 32.500 0.189 0.000 1.139 1334 K HN 0.465 nan 8.250 nan 0.000 0.424 1335 D N 1.413 121.880 120.400 0.113 0.000 2.423 1335 D HA 0.423 5.063 4.640 0.000 0.000 0.235 1335 D C -1.150 175.266 176.300 0.194 0.000 1.011 1335 D CA -0.448 53.623 54.000 0.119 0.000 0.963 1335 D CB 2.212 43.052 40.800 0.067 0.000 1.349 1335 D HN 0.144 nan 8.370 nan 0.000 0.508 1336 V N 0.639 120.669 119.914 0.193 0.000 2.444 1336 V HA 0.639 4.760 4.120 0.000 0.000 0.294 1336 V C 0.096 176.283 176.094 0.156 0.000 1.022 1336 V CA -0.699 61.733 62.300 0.221 0.000 0.850 1336 V CB 1.266 33.216 31.823 0.212 0.000 0.992 1336 V HN 0.758 nan 8.190 nan 0.000 0.426 1337 T N 1.809 116.474 114.554 0.185 0.000 2.916 1337 T HA 0.698 5.048 4.350 0.000 0.000 0.292 1337 T C 0.372 175.180 174.700 0.179 0.000 1.055 1337 T CA -0.712 61.494 62.100 0.177 0.000 1.009 1337 T CB 1.888 70.906 68.868 0.251 0.000 1.118 1337 T HN 0.268 nan 8.240 nan 0.000 0.497 1338 L N 1.063 122.359 121.223 0.121 0.000 2.554 1338 L HA 0.272 4.612 4.340 0.000 0.000 0.225 1338 L C 1.386 178.295 176.870 0.065 0.000 1.104 1338 L CA 0.108 55.008 54.840 0.099 0.000 0.866 1338 L CB 0.031 42.124 42.059 0.057 0.000 1.047 1338 L HN 0.966 nan 8.230 nan 0.000 0.468 1339 T N -3.524 111.064 114.554 0.057 0.000 2.908 1339 T HA 0.312 4.662 4.350 0.000 0.000 0.290 1339 T C 0.152 174.808 174.700 -0.074 0.000 1.034 1339 T CA -0.621 61.472 62.100 -0.010 0.000 1.010 1339 T CB 2.255 71.106 68.868 -0.029 0.000 1.068 1339 T HN -0.226 nan 8.240 nan 0.000 0.481 1340 L N 1.522 122.626 121.223 -0.198 0.000 2.629 1340 L HA 0.370 4.710 4.340 0.000 0.000 0.230 1340 L C 0.355 176.864 176.870 -0.601 0.000 1.151 1340 L CA 0.502 55.063 54.840 -0.465 0.000 0.924 1340 L CB -1.061 40.840 42.059 -0.263 0.000 1.137 1340 L HN 0.846 nan 8.230 nan 0.000 0.457 1341 D N 0.814 120.986 120.400 -0.379 0.000 2.339 1341 D HA 0.151 4.792 4.640 0.000 0.000 0.241 1341 D C -1.482 174.623 176.300 -0.326 0.000 1.183 1341 D CA -1.924 51.874 54.000 -0.337 0.000 0.859 1341 D CB 1.368 42.060 40.800 -0.179 0.000 1.067 1341 D HN 0.066 nan 8.370 nan 0.000 0.484 1342 P HA -0.022 nan 4.420 nan 0.000 0.237 1342 P C 0.643 177.857 177.300 -0.144 0.000 1.178 1342 P CA 0.329 63.261 63.100 -0.280 0.000 0.766 1342 P CB 0.338 31.672 31.700 -0.609 0.000 0.876 1343 A N -0.053 122.678 122.820 -0.149 0.000 2.081 1343 A HA -0.055 4.265 4.320 0.000 0.000 0.214 1343 A C 2.026 179.586 177.584 -0.039 0.000 1.158 1343 A CA 0.623 52.616 52.037 -0.074 0.000 0.724 1343 A CB -1.078 17.878 19.000 -0.073 0.000 0.826 1343 A HN 0.025 nan 8.150 nan 0.000 0.463 1344 D N -0.110 120.263 120.400 -0.044 0.000 2.411 1344 D HA -0.130 4.510 4.640 0.000 0.000 0.226 1344 D C 1.302 177.611 176.300 0.016 0.000 0.988 1344 D CA 1.311 55.301 54.000 -0.016 0.000 0.938 1344 D CB -0.230 40.557 40.800 -0.022 0.000 0.883 1344 D HN 0.378 nan 8.370 nan 0.000 0.525 1345 T N -0.303 114.268 114.554 0.028 0.000 8.890 1345 T HA -0.369 3.981 4.350 0.000 0.000 0.417 1345 T C 0.499 175.226 174.700 0.045 0.000 1.454 1345 T CA 1.602 63.724 62.100 0.038 0.000 2.469 1345 T CB -1.006 67.877 68.868 0.025 0.000 2.990 1345 T HN 0.329 nan 8.240 nan 0.000 1.274 1346 N N 2.110 120.836 118.700 0.044 0.000 2.395 1346 N HA 0.212 4.952 4.740 0.000 0.000 0.246 1346 N C -0.667 174.879 175.510 0.060 0.000 1.246 1346 N CA 0.318 53.395 53.050 0.045 0.000 0.879 1346 N CB 0.362 38.872 38.487 0.039 0.000 1.098 1346 N HN 0.519 nan 8.380 nan 0.000 0.444 1347 N N 2.117 120.849 118.700 0.054 0.000 2.480 1347 N HA 0.173 4.913 4.740 0.000 0.000 0.289 1347 N C -0.476 175.065 175.510 0.052 0.000 1.073 1347 N CA -0.665 52.423 53.050 0.063 0.000 0.885 1347 N CB 1.156 39.680 38.487 0.062 0.000 1.421 1347 N HN 0.269 nan 8.380 nan 0.000 0.503 1348 V N -0.134 119.811 119.914 0.052 0.000 3.421 1348 V HA 0.325 4.445 4.120 0.000 0.000 0.316 1348 V C 0.537 176.650 176.094 0.032 0.000 1.347 1348 V CA -0.534 61.782 62.300 0.027 0.000 1.183 1348 V CB -0.792 31.030 31.823 -0.003 0.000 1.092 1348 V HN 0.536 nan 8.190 nan 0.000 0.433 1349 D N 1.740 122.177 120.400 0.062 0.000 2.525 1349 D HA 0.315 4.955 4.640 0.000 0.000 0.235 1349 D C 1.547 177.876 176.300 0.048 0.000 1.137 1349 D CA 2.067 56.112 54.000 0.074 0.000 0.868 1349 D CB 0.807 41.658 40.800 0.086 0.000 1.180 1349 D HN 0.673 nan 8.370 nan 0.000 0.465 1350 G N 2.624 111.451 108.800 0.046 0.000 2.212 1350 G HA2 -0.302 3.659 3.960 0.000 0.000 0.266 1350 G HA3 -0.302 3.659 3.960 0.000 0.000 0.266 1350 G C 0.552 175.461 174.900 0.016 0.000 0.978 1350 G CA 0.852 45.971 45.100 0.031 0.000 0.632 1350 G HN 0.606 nan 8.290 nan 0.000 0.537 1351 Q N -0.662 119.143 119.800 0.008 0.000 2.386 1351 Q HA 0.673 5.013 4.340 0.000 0.000 0.172 1351 Q C -0.307 175.681 176.000 -0.019 0.000 1.009 1351 Q CA -0.289 55.511 55.803 -0.006 0.000 1.039 1351 Q CB 0.764 29.496 28.738 -0.009 0.000 1.544 1351 Q HN 0.138 nan 8.270 nan 0.000 0.515 1352 T N 0.862 115.400 114.554 -0.028 0.000 2.779 1352 T HA 0.526 4.876 4.350 0.000 0.000 0.280 1352 T C -0.707 173.955 174.700 -0.062 0.000 0.987 1352 T CA -0.416 61.664 62.100 -0.034 0.000 0.966 1352 T CB 0.339 69.197 68.868 -0.018 0.000 0.933 1352 T HN 0.241 nan 8.240 nan 0.000 0.442 1353 I N 5.936 126.450 120.570 -0.093 0.000 2.339 1353 I HA 0.316 4.486 4.170 0.000 0.000 0.290 1353 I C -2.184 173.888 176.117 -0.074 0.000 0.994 1353 I CA -2.653 58.560 61.300 -0.144 0.000 1.191 1353 I CB 1.894 39.686 38.000 -0.346 0.000 1.343 1353 I HN 0.324 nan 8.210 nan 0.000 0.458 1354 P HA -0.015 nan 4.420 nan 0.000 0.265 1354 P C -0.331 176.970 177.300 0.003 0.000 1.193 1354 P CA -0.409 62.684 63.100 -0.012 0.000 0.765 1354 P CB 0.350 32.046 31.700 -0.006 0.000 0.823 1355 L N 4.592 125.828 121.223 0.021 0.000 2.653 1355 L HA -0.150 4.190 4.340 0.000 0.000 0.288 1355 L C 0.693 177.584 176.870 0.034 0.000 1.243 1355 L CA 1.014 55.876 54.840 0.036 0.000 0.906 1355 L CB -1.695 40.387 42.059 0.038 0.000 1.154 1355 L HN 0.598 nan 8.230 nan 0.000 0.498 1356 N N 0.636 119.364 118.700 0.046 0.000 2.878 1356 N HA -0.188 4.552 4.740 0.000 0.000 0.247 1356 N C -0.331 175.214 175.510 0.059 0.000 1.021 1356 N CA 0.915 53.994 53.050 0.048 0.000 0.873 1356 N CB -1.296 37.208 38.487 0.029 0.000 1.128 1356 N HN 0.734 nan 8.380 nan 0.000 0.571 1357 T N 1.259 115.857 114.554 0.073 0.000 2.870 1357 T HA 0.302 4.652 4.350 0.000 0.000 0.300 1357 T C 0.632 175.444 174.700 0.186 0.000 0.989 1357 T CA -0.265 61.892 62.100 0.095 0.000 1.139 1357 T CB 1.342 70.246 68.868 0.060 0.000 0.920 1357 T HN -0.011 nan 8.240 nan 0.000 0.537 1358 V N 6.356 126.343 119.914 0.122 0.000 2.488 1358 V HA 0.501 4.621 4.120 0.000 0.000 0.277 1358 V C -0.023 176.164 176.094 0.155 0.000 1.046 1358 V CA -0.107 62.242 62.300 0.083 0.000 0.986 1358 V CB -0.629 31.192 31.823 -0.002 0.000 0.989 1358 V HN 0.832 nan 8.190 nan 0.000 0.475 1359 F N 2.818 122.709 119.950 -0.098 0.000 2.950 1359 F HA 0.707 5.234 4.527 0.000 0.000 0.327 1359 F C -0.667 175.054 175.800 -0.131 0.000 1.197 1359 F CA -1.270 56.666 58.000 -0.108 0.000 0.954 1359 F CB 1.735 40.654 39.000 -0.135 0.000 1.442 1359 F HN 0.306 nan 8.300 nan 0.000 0.509 1360 N N -0.490 118.149 118.700 -0.101 0.000 2.229 1360 N HA 0.288 5.028 4.740 0.000 0.000 0.298 1360 N C -2.225 173.201 175.510 -0.140 0.000 1.114 1360 N CA -0.514 52.427 53.050 -0.181 0.000 0.776 1360 N CB 2.350 40.943 38.487 0.177 0.000 1.501 1360 N HN 0.483 nan 8.380 nan 0.000 0.474 1361 Y N 0.739 121.012 120.300 -0.046 0.000 2.326 1361 Y HA 0.270 4.820 4.550 0.000 0.000 0.337 1361 Y C 0.800 176.594 175.900 -0.176 0.000 1.023 1361 Y CA -0.531 57.551 58.100 -0.029 0.000 1.143 1361 Y CB 0.863 39.295 38.460 -0.046 0.000 1.183 1361 Y HN 0.241 nan 8.280 nan 0.000 0.485 1362 R N 4.993 125.442 120.500 -0.085 0.000 2.215 1362 R HA 0.476 4.816 4.340 0.000 0.000 0.336 1362 R C -1.667 174.476 176.300 -0.261 0.000 0.996 1362 R CA -0.390 55.437 56.100 -0.454 0.000 0.847 1362 R CB 0.106 30.093 30.300 -0.522 0.000 1.127 1362 R HN 0.761 nan 8.270 nan 0.000 0.465 1363 L N 7.306 128.315 121.223 -0.355 0.000 2.272 1363 L HA 0.408 4.749 4.340 0.000 0.000 0.284 1363 L C -0.161 176.642 176.870 -0.111 0.000 1.045 1363 L CA -0.556 54.006 54.840 -0.464 0.000 0.842 1363 L CB 1.154 42.658 42.059 -0.925 0.000 1.224 1363 L HN 0.553 nan 8.230 nan 0.000 0.430 1364 I N 2.770 123.415 120.570 0.126 0.000 2.312 1364 I HA 0.263 4.433 4.170 0.000 0.000 0.291 1364 I C 1.229 177.600 176.117 0.423 0.000 1.031 1364 I CA -0.167 61.290 61.300 0.262 0.000 1.293 1364 I CB 1.269 39.372 38.000 0.172 0.000 1.403 1364 I HN 0.584 nan 8.210 nan 0.000 0.484 1365 G N 4.222 113.327 108.800 0.507 0.000 2.684 1365 G HA2 0.398 4.358 3.960 0.000 0.000 0.255 1365 G HA3 0.398 4.358 3.960 0.000 0.000 0.255 1365 G C 0.332 175.370 174.900 0.230 0.000 1.219 1365 G CA -0.336 44.988 45.100 0.372 0.000 0.901 1365 G HN 0.741 nan 8.290 nan 0.000 0.548 1366 G N -1.405 107.430 108.800 0.057 0.000 2.537 1366 G HA2 0.457 4.417 3.960 0.000 0.000 0.273 1366 G HA3 0.457 4.417 3.960 0.000 0.000 0.273 1366 G C 0.033 174.999 174.900 0.110 0.000 1.189 1366 G CA -0.805 44.288 45.100 -0.011 0.000 0.881 1366 G HN 0.625 nan 8.290 nan 0.000 0.535 1367 I N 0.953 121.550 120.570 0.045 0.000 2.352 1367 I HA 0.196 4.366 4.170 0.000 0.000 0.290 1367 I C -0.055 176.088 176.117 0.043 0.000 1.036 1367 I CA -0.075 61.264 61.300 0.065 0.000 1.336 1367 I CB 1.010 39.034 38.000 0.039 0.000 1.407 1367 I HN 0.122 nan 8.210 nan 0.000 0.497 1368 I N 8.569 129.189 120.570 0.083 0.000 2.307 1368 I HA 0.289 4.460 4.170 0.000 0.000 0.289 1368 I C -2.232 173.917 176.117 0.052 0.000 1.021 1368 I CA -1.906 59.400 61.300 0.009 0.000 1.224 1368 I CB 1.156 39.110 38.000 -0.076 0.000 1.376 1368 I HN 0.231 nan 8.210 nan 0.000 0.470 1369 P HA 0.185 nan 4.420 nan 0.000 0.276 1369 P C -0.263 177.172 177.300 0.225 0.000 1.244 1369 P CA -0.398 62.772 63.100 0.117 0.000 0.801 1369 P CB 0.674 32.423 31.700 0.082 0.000 1.006 1370 A N 2.029 124.937 122.820 0.146 0.000 2.536 1370 A HA 0.121 4.441 4.320 0.000 0.000 0.234 1370 A C 0.817 178.428 177.584 0.044 0.000 1.076 1370 A CA 0.710 52.803 52.037 0.093 0.000 0.769 1370 A CB -1.195 17.825 19.000 0.034 0.000 1.020 1370 A HN 0.769 nan 8.150 nan 0.000 0.508 1371 N N -0.299 118.331 118.700 -0.117 0.000 2.771 1371 N HA -0.150 4.590 4.740 0.000 0.000 0.249 1371 N C -0.201 175.256 175.510 -0.089 0.000 1.069 1371 N CA 1.313 54.284 53.050 -0.132 0.000 0.688 1371 N CB -1.787 36.673 38.487 -0.045 0.000 0.928 1371 N HN 0.982 nan 8.380 nan 0.000 0.551 1372 H N -2.020 117.051 119.070 0.001 0.000 2.595 1372 H HA 0.586 5.142 4.556 0.000 0.000 0.346 1372 H C 1.167 176.501 175.328 0.011 0.000 1.181 1372 H CA -0.190 55.862 56.048 0.007 0.000 1.242 1372 H CB 1.031 30.794 29.762 0.002 0.000 1.652 1372 H HN 0.213 nan 8.280 nan 0.000 0.548 1373 S N -0.179 115.621 115.700 0.168 0.000 2.478 1373 S HA 0.036 4.506 4.470 0.000 0.000 0.222 1373 S C 0.271 174.938 174.600 0.111 0.000 1.008 1373 S CA -0.034 58.226 58.200 0.100 0.000 0.928 1373 S CB 0.125 63.385 63.200 0.100 0.000 0.781 1373 S HN 0.602 nan 8.310 nan 0.000 0.518 1374 E N 1.212 121.511 120.200 0.165 0.000 2.359 1374 E HA 0.381 4.731 4.350 0.000 0.000 0.266 1374 E C -0.859 175.852 176.600 0.184 0.000 0.920 1374 E CA -0.709 55.783 56.400 0.152 0.000 0.788 1374 E CB 1.075 30.874 29.700 0.164 0.000 1.279 1374 E HN 0.294 nan 8.360 nan 0.000 0.438 1375 E N 1.078 121.357 120.200 0.131 0.000 2.413 1375 E HA 0.073 4.423 4.350 0.000 0.000 0.263 1375 E C 0.109 176.756 176.600 0.078 0.000 1.015 1375 E CA 0.018 56.476 56.400 0.097 0.000 0.916 1375 E CB 0.694 30.438 29.700 0.073 0.000 0.947 1375 E HN 0.303 nan 8.360 nan 0.000 0.440 1376 L N 3.467 124.648 121.223 -0.070 0.000 2.462 1376 L HA -0.031 4.309 4.340 0.000 0.000 0.272 1376 L C 0.874 177.691 176.870 -0.088 0.000 1.166 1376 L CA 0.183 54.887 54.840 -0.227 0.000 0.880 1376 L CB -0.046 41.724 42.059 -0.481 0.000 1.142 1376 L HN 0.605 nan 8.230 nan 0.000 0.473 1377 F N 0.388 120.279 119.950 -0.097 0.000 2.831 1377 F HA 0.428 4.955 4.527 0.000 0.000 0.334 1377 F C 0.213 176.016 175.800 0.005 0.000 1.071 1377 F CA -0.619 57.353 58.000 -0.046 0.000 1.172 1377 F CB 0.300 39.288 39.000 -0.021 0.000 1.054 1377 F HN 0.358 nan 8.300 nan 0.000 0.572 1378 E N 0.229 120.188 120.200 -0.401 0.000 2.291 1378 E HA 0.339 4.689 4.350 0.000 0.000 0.276 1378 E C -2.235 174.316 176.600 -0.082 0.000 0.896 1378 E CA -0.729 55.575 56.400 -0.159 0.000 0.774 1378 E CB 2.093 31.669 29.700 -0.207 0.000 1.227 1378 E HN 0.259 nan 8.360 nan 0.000 0.413 1379 Y N 4.444 124.720 120.300 -0.040 0.000 2.379 1379 Y HA 0.384 4.934 4.550 0.000 0.000 0.342 1379 Y C -1.576 174.394 175.900 0.116 0.000 1.126 1379 Y CA -0.712 57.377 58.100 -0.019 0.000 1.310 1379 Y CB 0.708 39.136 38.460 -0.054 0.000 1.115 1379 Y HN 0.476 nan 8.280 nan 0.000 0.505 1380 N N 4.256 122.931 118.700 -0.041 0.000 2.404 1380 N HA 0.509 5.249 4.740 0.000 0.000 0.297 1380 N C -1.633 173.818 175.510 -0.098 0.000 1.163 1380 N CA -0.507 52.582 53.050 0.065 0.000 0.864 1380 N CB 1.403 39.957 38.487 0.113 0.000 1.247 1380 N HN 0.397 nan 8.380 nan 0.000 0.510 1381 F N 1.043 121.108 119.950 0.192 0.000 2.445 1381 F HA 0.287 4.814 4.527 0.000 0.000 0.348 1381 F C -0.489 175.446 175.800 0.225 0.000 1.125 1381 F CA -1.067 57.086 58.000 0.255 0.000 0.983 1381 F CB 0.962 39.969 39.000 0.012 0.000 1.198 1381 F HN 0.348 nan 8.300 nan 0.000 0.436 1382 Y N 3.628 124.131 120.300 0.339 0.000 2.331 1382 Y HA 0.481 5.031 4.550 0.000 0.000 0.338 1382 Y C -1.078 174.946 175.900 0.206 0.000 0.992 1382 Y CA -0.967 57.239 58.100 0.177 0.000 1.121 1382 Y CB 1.035 39.546 38.460 0.085 0.000 1.184 1382 Y HN 0.529 nan 8.280 nan 0.000 0.469 1383 D N 5.121 125.196 120.400 -0.541 0.000 2.686 1383 D HA 0.106 4.746 4.640 0.000 0.000 0.249 1383 D C -1.877 174.085 176.300 -0.563 0.000 1.260 1383 D CA -0.367 53.383 54.000 -0.417 0.000 0.910 1383 D CB 1.261 41.978 40.800 -0.138 0.000 1.323 1383 D HN 0.674 nan 8.370 nan 0.000 0.561 1384 D N 4.004 124.058 120.400 -0.576 0.000 2.467 1384 D HA 0.123 4.763 4.640 0.000 0.000 0.220 1384 D C -0.420 175.760 176.300 -0.201 0.000 1.103 1384 D CA -0.304 53.463 54.000 -0.389 0.000 0.886 1384 D CB -0.140 40.513 40.800 -0.245 0.000 1.025 1384 D HN 0.344 nan 8.370 nan 0.000 0.514 1385 Y N 0.388 120.601 120.300 -0.144 0.000 2.408 1385 Y HA 0.488 5.038 4.550 0.000 0.000 0.324 1385 Y C 0.329 176.229 175.900 0.001 0.000 1.302 1385 Y CA -1.276 56.781 58.100 -0.072 0.000 1.384 1385 Y CB 0.479 38.923 38.460 -0.027 0.000 1.367 1385 Y HN 0.028 nan 8.280 nan 0.000 0.525 1386 D N 1.815 122.341 120.400 0.210 0.000 2.468 1386 D HA 0.006 4.646 4.640 0.000 0.000 0.218 1386 D C 0.818 177.216 176.300 0.164 0.000 1.155 1386 D CA -0.424 53.658 54.000 0.137 0.000 0.924 1386 D CB 0.695 41.634 40.800 0.232 0.000 1.029 1386 D HN 0.746 nan 8.370 nan 0.000 0.515 1387 Q N 2.097 121.940 119.800 0.073 0.000 2.439 1387 Q HA -0.152 4.188 4.340 0.000 0.000 0.211 1387 Q C 1.058 177.114 176.000 0.093 0.000 0.978 1387 Q CA 1.252 57.148 55.803 0.155 0.000 0.897 1387 Q CB -0.809 27.980 28.738 0.085 0.000 0.956 1387 Q HN 0.450 nan 8.270 nan 0.000 0.483 1388 T N -3.520 111.076 114.554 0.070 0.000 3.023 1388 T HA 0.126 4.476 4.350 0.000 0.000 0.266 1388 T C 1.711 176.369 174.700 -0.069 0.000 1.093 1388 T CA 0.952 63.097 62.100 0.076 0.000 1.129 1388 T CB 0.024 68.994 68.868 0.170 0.000 0.899 1388 T HN 0.371 nan 8.240 nan 0.000 0.491 1389 G N 0.231 108.792 108.800 -0.398 0.000 2.768 1389 G HA2 0.255 4.215 3.960 0.000 0.000 0.201 1389 G HA3 0.255 4.215 3.960 0.000 0.000 0.201 1389 G C -0.210 174.396 174.900 -0.489 0.000 1.089 1389 G CA -0.218 44.112 45.100 -1.284 0.000 0.787 1389 G HN 0.423 nan 8.290 nan 0.000 0.547 1390 D N -0.080 120.257 120.400 -0.106 0.000 2.391 1390 D HA 0.399 5.039 4.640 0.000 0.000 0.245 1390 D C -1.354 175.071 176.300 0.208 0.000 1.069 1390 D CA -0.415 53.654 54.000 0.116 0.000 0.831 1390 D CB 1.944 42.907 40.800 0.270 0.000 1.204 1390 D HN 0.245 nan 8.370 nan 0.000 0.503 1391 H N 1.654 120.738 119.070 0.024 0.000 2.551 1391 H HA 0.223 4.780 4.556 0.000 0.000 0.321 1391 H C -1.271 174.014 175.328 -0.072 0.000 1.028 1391 H CA -0.735 55.337 56.048 0.040 0.000 1.215 1391 H CB 0.334 30.105 29.762 0.015 0.000 1.414 1391 H HN 0.278 nan 8.280 nan 0.000 0.480 1392 Y N 4.612 124.513 120.300 -0.666 0.000 2.569 1392 Y HA 0.083 4.633 4.550 0.000 0.000 0.332 1392 Y C 1.354 176.768 175.900 -0.810 0.000 1.120 1392 Y CA 0.635 58.312 58.100 -0.706 0.000 1.416 1392 Y CB 0.793 38.922 38.460 -0.552 0.000 1.210 1392 Y HN 0.846 nan 8.280 nan 0.000 0.528 1393 T N 1.456 115.429 114.554 -0.968 0.000 3.148 1393 T HA 0.204 4.554 4.350 0.000 0.000 0.253 1393 T C 1.375 175.607 174.700 -0.781 0.000 1.134 1393 T CA 0.541 62.204 62.100 -0.727 0.000 1.051 1393 T CB -0.548 68.074 68.868 -0.409 0.000 0.959 1393 T HN 1.416 nan 8.240 nan 0.000 0.525 1394 G N 0.572 108.458 108.800 -1.523 0.000 2.175 1394 G HA2 -0.170 3.790 3.960 0.000 0.000 0.244 1394 G HA3 -0.170 3.790 3.960 0.000 0.000 0.244 1394 G C -0.245 174.367 174.900 -0.481 0.000 0.982 1394 G CA -0.167 44.366 45.100 -0.945 0.000 0.641 1394 G HN 0.643 nan 8.290 nan 0.000 0.527 1395 Q N -0.448 119.067 119.800 -0.475 0.000 2.333 1395 Q HA 0.669 5.009 4.340 0.000 0.000 0.267 1395 Q C -0.547 175.504 176.000 0.086 0.000 1.012 1395 Q CA -0.729 54.985 55.803 -0.147 0.000 0.824 1395 Q CB 1.916 30.546 28.738 -0.180 0.000 1.290 1395 Q HN 0.863 nan 8.270 nan 0.000 0.449 1396 Y N -1.267 119.030 120.300 -0.005 0.000 2.562 1396 Y HA 0.755 5.305 4.550 0.000 0.000 0.345 1396 Y C -1.209 174.626 175.900 -0.108 0.000 1.045 1396 Y CA -1.005 57.086 58.100 -0.015 0.000 1.028 1396 Y CB 1.870 40.323 38.460 -0.012 0.000 1.297 1396 Y HN 0.331 nan 8.280 nan 0.000 0.463 1397 K N 2.317 122.653 120.400 -0.107 0.000 2.435 1397 K HA 0.786 5.106 4.320 0.000 0.000 0.251 1397 K C -1.782 174.640 176.600 -0.297 0.000 0.954 1397 K CA -1.249 54.817 56.287 -0.367 0.000 0.820 1397 K CB 3.157 35.400 32.500 -0.429 0.000 1.292 1397 K HN 0.559 nan 8.250 nan 0.000 0.436 1398 V N 2.451 122.049 119.914 -0.527 0.000 2.656 1398 V HA 0.550 4.670 4.120 0.000 0.000 0.307 1398 V C -1.213 174.559 176.094 -0.537 0.000 1.051 1398 V CA -0.855 61.220 62.300 -0.375 0.000 0.893 1398 V CB 1.047 32.729 31.823 -0.236 0.000 0.999 1398 V HN 0.566 nan 8.190 nan 0.000 0.426 1399 F N 1.530 121.558 119.950 0.130 0.000 2.563 1399 F HA 0.792 5.319 4.527 0.000 0.000 0.316 1399 F C 0.599 176.480 175.800 0.136 0.000 1.076 1399 F CA -0.887 57.190 58.000 0.128 0.000 0.921 1399 F CB 1.740 40.812 39.000 0.121 0.000 1.209 1399 F HN 0.595 nan 8.300 nan 0.000 0.462 1400 A N 2.081 125.067 122.820 0.277 0.000 2.511 1400 A HA 0.236 4.556 4.320 0.000 0.000 0.242 1400 A C 0.892 178.541 177.584 0.109 0.000 1.069 1400 A CA -0.085 52.018 52.037 0.110 0.000 0.763 1400 A CB 0.299 19.344 19.000 0.075 0.000 1.001 1400 A HN 0.935 nan 8.150 nan 0.000 0.498 1401 K N 0.772 121.189 120.400 0.030 0.000 2.374 1401 K HA 0.302 4.622 4.320 0.000 0.000 0.202 1401 K C -0.214 176.393 176.600 0.011 0.000 1.040 1401 K CA 0.615 56.933 56.287 0.051 0.000 1.085 1401 K CB 0.273 32.825 32.500 0.087 0.000 0.873 1401 K HN 0.775 nan 8.250 nan 0.000 0.539 1402 V N -2.192 117.704 119.914 -0.031 0.000 3.188 1402 V HA 0.407 4.527 4.120 0.000 0.000 0.305 1402 V C -1.277 174.802 176.094 -0.025 0.000 1.232 1402 V CA -1.369 60.918 62.300 -0.021 0.000 1.043 1402 V CB 1.634 33.443 31.823 -0.024 0.000 1.068 1402 V HN -0.144 nan 8.190 nan 0.000 0.439 1403 D N 1.801 122.200 120.400 -0.002 0.000 2.450 1403 D HA 0.427 5.067 4.640 0.000 0.000 0.247 1403 D C -0.298 176.003 176.300 0.003 0.000 1.162 1403 D CA 0.894 54.900 54.000 0.009 0.000 0.879 1403 D CB 0.533 41.344 40.800 0.018 0.000 1.163 1403 D HN 0.594 nan 8.370 nan 0.000 0.472 1404 I N 3.802 124.379 120.570 0.012 0.000 2.362 1404 I HA 0.213 4.383 4.170 0.000 0.000 0.289 1404 I C -0.308 175.836 176.117 0.045 0.000 0.994 1404 I CA -0.870 60.445 61.300 0.024 0.000 1.158 1404 I CB 1.348 39.357 38.000 0.015 0.000 1.315 1404 I HN 0.049 nan 8.210 nan 0.000 0.451 1405 I N 6.932 127.525 120.570 0.037 0.000 2.321 1405 I HA 0.325 4.495 4.170 0.000 0.000 0.291 1405 I C -0.000 176.118 176.117 0.002 0.000 0.998 1405 I CA -0.712 60.602 61.300 0.023 0.000 1.227 1405 I CB 0.917 38.926 38.000 0.014 0.000 1.368 1405 I HN 0.291 nan 8.210 nan 0.000 0.466 1406 L N 6.126 127.348 121.223 -0.003 0.000 2.439 1406 L HA 0.338 4.678 4.340 0.000 0.000 0.259 1406 L C 1.684 178.535 176.870 -0.031 0.000 1.129 1406 L CA -0.036 54.781 54.840 -0.038 0.000 0.803 1406 L CB 0.239 42.286 42.059 -0.019 0.000 1.161 1406 L HN 0.483 nan 8.230 nan 0.000 0.462 1407 K N 0.831 121.202 120.400 -0.048 0.000 2.218 1407 K HA -0.188 4.132 4.320 0.000 0.000 0.205 1407 K C 1.027 177.617 176.600 -0.017 0.000 1.046 1407 K CA 1.595 57.860 56.287 -0.037 0.000 0.933 1407 K CB -0.075 32.399 32.500 -0.043 0.000 0.728 1407 K HN 0.682 nan 8.250 nan 0.000 0.454 1408 N N -0.943 117.754 118.700 -0.006 0.000 2.336 1408 N HA 0.014 4.754 4.740 0.000 0.000 0.189 1408 N C 1.006 176.523 175.510 0.012 0.000 1.113 1408 N CA 0.958 54.011 53.050 0.007 0.000 0.858 1408 N CB 0.797 39.295 38.487 0.018 0.000 0.970 1408 N HN 0.221 nan 8.380 nan 0.000 0.471 1409 G N -0.730 108.076 108.800 0.010 0.000 2.232 1409 G HA2 -0.254 3.706 3.960 0.000 0.000 0.226 1409 G HA3 -0.254 3.706 3.960 0.000 0.000 0.226 1409 G C -0.202 174.712 174.900 0.025 0.000 0.996 1409 G CA 0.017 45.125 45.100 0.014 0.000 0.626 1409 G HN 0.286 nan 8.290 nan 0.000 0.509 1410 V N 2.096 122.031 119.914 0.035 0.000 2.720 1410 V HA 0.246 4.366 4.120 0.000 0.000 0.307 1410 V C 0.955 177.081 176.094 0.053 0.000 1.071 1410 V CA 0.871 63.202 62.300 0.052 0.000 1.199 1410 V CB 0.980 32.848 31.823 0.075 0.000 0.900 1410 V HN 0.342 nan 8.190 nan 0.000 0.494 1411 I N 5.932 126.536 120.570 0.057 0.000 2.382 1411 I HA 0.412 4.582 4.170 0.000 0.000 0.286 1411 I C -0.200 175.962 176.117 0.075 0.000 1.002 1411 I CA -0.328 61.006 61.300 0.056 0.000 1.135 1411 I CB 1.508 39.533 38.000 0.042 0.000 1.288 1411 I HN 0.433 nan 8.210 nan 0.000 0.448 1412 I N 7.056 127.680 120.570 0.091 0.000 2.291 1412 I HA 0.172 4.342 4.170 0.000 0.000 0.292 1412 I C 0.292 176.457 176.117 0.079 0.000 1.064 1412 I CA -0.685 60.682 61.300 0.111 0.000 1.269 1412 I CB 0.378 38.477 38.000 0.165 0.000 1.418 1412 I HN 0.392 nan 8.210 nan 0.000 0.485 1413 K N 4.009 124.452 120.400 0.072 0.000 2.258 1413 K HA 0.152 4.472 4.320 0.000 0.000 0.264 1413 K C 0.271 176.904 176.600 0.056 0.000 1.007 1413 K CA -0.174 56.144 56.287 0.053 0.000 0.941 1413 K CB 0.924 33.452 32.500 0.045 0.000 0.966 1413 K HN 0.503 nan 8.250 nan 0.000 0.480 1414 S N 0.200 115.923 115.700 0.039 0.000 2.558 1414 S HA 0.213 4.683 4.470 0.000 0.000 0.293 1414 S C 1.237 175.866 174.600 0.048 0.000 1.292 1414 S CA 1.329 59.552 58.200 0.039 0.000 1.063 1414 S CB -0.283 62.931 63.200 0.024 0.000 0.831 1414 S HN 0.765 nan 8.310 nan 0.000 0.499 1415 G N 3.257 112.100 108.800 0.072 0.000 2.225 1415 G HA2 -0.241 3.719 3.960 0.000 0.000 0.254 1415 G HA3 -0.241 3.719 3.960 0.000 0.000 0.254 1415 G C 0.298 175.280 174.900 0.136 0.000 0.988 1415 G CA 0.381 45.506 45.100 0.041 0.000 0.625 1415 G HN 0.929 nan 8.290 nan 0.000 0.527 1416 T N 0.948 115.604 114.554 0.170 0.000 2.919 1416 T HA 0.423 4.773 4.350 0.000 0.000 0.302 1416 T C 0.367 175.252 174.700 0.308 0.000 1.031 1416 T CA 0.381 62.602 62.100 0.202 0.000 1.127 1416 T CB 1.691 70.644 68.868 0.142 0.000 0.952 1416 T HN 0.480 nan 8.240 nan 0.000 0.540 1417 E N 2.110 122.466 120.200 0.260 0.000 2.290 1417 E HA 0.155 4.505 4.350 0.000 0.000 0.277 1417 E C 0.169 176.760 176.600 -0.015 0.000 1.035 1417 E CA -0.267 56.168 56.400 0.059 0.000 0.873 1417 E CB 0.298 29.960 29.700 -0.063 0.000 1.029 1417 E HN 0.569 nan 8.360 nan 0.000 0.419 1418 L N 3.819 125.009 121.223 -0.055 0.000 2.693 1418 L HA 0.070 4.410 4.340 0.000 0.000 0.235 1418 L C 1.697 178.511 176.870 -0.092 0.000 1.127 1418 L CA -0.028 54.856 54.840 0.074 0.000 0.914 1418 L CB 0.162 42.412 42.059 0.318 0.000 1.193 1418 L HN 0.636 nan 8.230 nan 0.000 0.502 1419 T N 0.486 114.889 114.554 -0.251 0.000 2.721 1419 T HA -0.260 4.090 4.350 0.000 0.000 0.268 1419 T C 1.939 176.478 174.700 -0.268 0.000 1.038 1419 T CA 1.885 63.808 62.100 -0.295 0.000 1.145 1419 T CB -0.189 68.433 68.868 -0.410 0.000 0.858 1419 T HN 0.505 nan 8.240 nan 0.000 0.459 1420 Q N 0.544 120.133 119.800 -0.351 0.000 2.291 1420 Q HA -0.140 4.200 4.340 0.000 0.000 0.206 1420 Q C 0.752 176.506 176.000 -0.410 0.000 0.976 1420 Q CA 1.400 56.961 55.803 -0.404 0.000 0.875 1420 Q CB -0.658 27.771 28.738 -0.515 0.000 0.927 1420 Q HN 0.626 nan 8.270 nan 0.000 0.450 1421 Y N 2.207 122.399 120.300 -0.180 0.000 2.537 1421 Y HA 0.239 4.789 4.550 0.000 0.000 0.303 1421 Y C 0.670 176.540 175.900 -0.050 0.000 1.176 1421 Y CA 0.269 58.286 58.100 -0.139 0.000 1.273 1421 Y CB 0.124 38.309 38.460 -0.457 0.000 1.110 1421 Y HN 0.181 nan 8.280 nan 0.000 0.518 1422 T N -3.016 111.537 114.554 -0.002 0.000 2.883 1422 T HA 0.748 5.098 4.350 0.000 0.000 0.296 1422 T C -0.105 174.641 174.700 0.076 0.000 1.117 1422 T CA -0.635 61.458 62.100 -0.012 0.000 1.006 1422 T CB 2.539 71.324 68.868 -0.139 0.000 1.191 1422 T HN 0.048 nan 8.240 nan 0.000 0.508 1423 T N -1.524 113.084 114.554 0.090 0.000 2.887 1423 T HA 0.860 5.210 4.350 0.000 0.000 0.292 1423 T C -0.651 174.073 174.700 0.041 0.000 1.087 1423 T CA -0.846 61.319 62.100 0.109 0.000 1.009 1423 T CB 1.508 70.428 68.868 0.086 0.000 1.203 1423 T HN 1.388 nan 8.240 nan 0.000 0.518 1424 A N 0.649 123.489 122.820 0.034 0.000 2.371 1424 A HA 0.737 5.057 4.320 0.000 0.000 0.311 1424 A C -0.641 176.937 177.584 -0.011 0.000 1.068 1424 A CA -0.798 51.178 52.037 -0.102 0.000 0.744 1424 A CB 1.424 20.260 19.000 -0.274 0.000 1.239 1424 A HN 0.981 nan 8.150 nan 0.000 0.435 1425 E N 1.984 122.175 120.200 -0.014 0.000 2.109 1425 E HA 0.540 4.890 4.350 0.000 0.000 0.278 1425 E C -1.310 175.302 176.600 0.020 0.000 0.954 1425 E CA -0.401 56.014 56.400 0.026 0.000 0.779 1425 E CB 1.155 30.882 29.700 0.045 0.000 1.093 1425 E HN 0.408 nan 8.360 nan 0.000 0.401 1426 V N 4.245 124.183 119.914 0.040 0.000 2.435 1426 V HA 0.284 4.404 4.120 0.000 0.000 0.290 1426 V C -0.411 175.721 176.094 0.064 0.000 1.030 1426 V CA -0.799 61.531 62.300 0.049 0.000 0.881 1426 V CB 1.631 33.515 31.823 0.102 0.000 0.983 1426 V HN 0.712 nan 8.190 nan 0.000 0.445 1427 D N 2.793 123.229 120.400 0.061 0.000 2.438 1427 D HA 0.195 4.835 4.640 0.000 0.000 0.257 1427 D C 0.955 177.286 176.300 0.052 0.000 1.148 1427 D CA -0.133 53.899 54.000 0.053 0.000 0.902 1427 D CB 1.899 42.728 40.800 0.049 0.000 1.062 1427 D HN 0.551 nan 8.370 nan 0.000 0.518 1428 T N 1.322 115.922 114.554 0.077 0.000 2.867 1428 T HA -0.114 4.236 4.350 0.000 0.000 0.268 1428 T C 1.548 176.284 174.700 0.059 0.000 1.057 1428 T CA 1.955 64.116 62.100 0.101 0.000 1.136 1428 T CB 0.256 69.194 68.868 0.117 0.000 0.874 1428 T HN 0.358 nan 8.240 nan 0.000 0.466 1429 T N 1.157 115.734 114.554 0.038 0.000 2.737 1429 T HA -0.029 4.322 4.350 0.000 0.000 0.265 1429 T C 1.940 176.635 174.700 -0.007 0.000 1.038 1429 T CA 1.287 63.400 62.100 0.021 0.000 1.144 1429 T CB -0.187 68.694 68.868 0.021 0.000 0.866 1429 T HN 0.393 nan 8.240 nan 0.000 0.434 1430 K N 0.671 121.058 120.400 -0.021 0.000 2.366 1430 K HA 0.105 4.426 4.320 0.000 0.000 0.198 1430 K C 0.885 177.390 176.600 -0.159 0.000 1.044 1430 K CA 0.563 56.817 56.287 -0.056 0.000 0.973 1430 K CB -0.175 32.310 32.500 -0.024 0.000 0.767 1430 K HN 0.392 nan 8.250 nan 0.000 0.475 1431 G N 0.552 109.239 108.800 -0.190 0.000 2.385 1431 G HA2 -0.140 3.820 3.960 0.000 0.000 0.294 1431 G HA3 -0.140 3.820 3.960 0.000 0.000 0.294 1431 G C -0.318 174.075 174.900 -0.845 0.000 1.070 1431 G CA 0.237 45.035 45.100 -0.504 0.000 1.172 1431 G HN 0.587 nan 8.290 nan 0.000 0.516 1432 A N -0.081 122.569 122.820 -0.285 0.000 2.594 1432 A HA 0.954 5.274 4.320 0.000 0.000 0.291 1432 A C -0.706 176.873 177.584 -0.009 0.000 1.105 1432 A CA -0.159 51.785 52.037 -0.154 0.000 0.694 1432 A CB 1.947 20.869 19.000 -0.130 0.000 1.291 1432 A HN 1.846 nan 8.150 nan 0.000 0.410 1433 I N 0.196 120.713 120.570 -0.088 0.000 2.692 1433 I HA 0.608 4.778 4.170 0.000 0.000 0.293 1433 I C -1.302 174.778 176.117 -0.063 0.000 1.200 1433 I CA -0.063 61.149 61.300 -0.145 0.000 1.036 1433 I CB 2.405 40.147 38.000 -0.431 0.000 1.258 1433 I HN 0.579 nan 8.210 nan 0.000 0.421 1434 T N 7.915 122.481 114.554 0.020 0.000 2.791 1434 T HA 0.533 4.883 4.350 0.000 0.000 0.288 1434 T C -0.246 174.445 174.700 -0.014 0.000 0.999 1434 T CA -0.219 61.950 62.100 0.115 0.000 0.952 1434 T CB 0.770 69.757 68.868 0.198 0.000 0.938 1434 T HN 0.303 nan 8.240 nan 0.000 0.444 1435 I N 3.793 124.348 120.570 -0.025 0.000 2.325 1435 I HA 0.297 4.467 4.170 0.000 0.000 0.291 1435 I C 0.376 176.570 176.117 0.129 0.000 1.019 1435 I CA -0.376 60.842 61.300 -0.137 0.000 1.302 1435 I CB 0.712 38.515 38.000 -0.329 0.000 1.401 1435 I HN 0.310 nan 8.210 nan 0.000 0.485 1436 K N 6.443 126.889 120.400 0.077 0.000 2.358 1436 K HA 0.429 4.749 4.320 0.000 0.000 0.260 1436 K C -0.854 175.858 176.600 0.187 0.000 0.956 1436 K CA -0.675 55.718 56.287 0.177 0.000 0.834 1436 K CB 1.616 34.202 32.500 0.144 0.000 1.102 1436 K HN 0.224 nan 8.250 nan 0.000 0.431 1437 F N 2.483 122.621 119.950 0.314 0.000 2.518 1437 F HA 0.048 4.575 4.527 0.000 0.000 0.359 1437 F C 1.015 176.974 175.800 0.265 0.000 1.118 1437 F CA 0.185 58.383 58.000 0.330 0.000 1.287 1437 F CB 0.545 39.784 39.000 0.398 0.000 1.132 1437 F HN 0.212 nan 8.300 nan 0.000 0.587 1438 K N 2.933 123.622 120.400 0.483 0.000 2.350 1438 K HA -0.020 4.300 4.320 0.000 0.000 0.279 1438 K C 1.148 177.961 176.600 0.355 0.000 1.027 1438 K CA -0.083 56.420 56.287 0.360 0.000 0.969 1438 K CB 0.739 33.440 32.500 0.335 0.000 0.954 1438 K HN 0.711 nan 8.250 nan 0.000 0.474 1439 E N 2.946 123.296 120.200 0.251 0.000 2.077 1439 E HA -0.253 4.097 4.350 0.000 0.000 0.193 1439 E C 1.750 178.438 176.600 0.146 0.000 0.989 1439 E CA 1.377 57.895 56.400 0.196 0.000 0.800 1439 E CB 0.058 29.864 29.700 0.177 0.000 0.746 1439 E HN 0.748 nan 8.360 nan 0.000 0.452 1440 A N 0.863 123.777 122.820 0.158 0.000 1.892 1440 A HA -0.231 4.090 4.320 0.000 0.000 0.218 1440 A C 2.035 179.691 177.584 0.119 0.000 1.188 1440 A CA 1.665 53.778 52.037 0.126 0.000 0.631 1440 A CB -1.054 18.033 19.000 0.146 0.000 0.822 1440 A HN 0.554 nan 8.150 nan 0.000 0.447 1441 F N 0.546 120.529 119.950 0.055 0.000 2.102 1441 F HA -0.144 4.383 4.527 0.000 0.000 0.298 1441 F C 1.884 177.603 175.800 -0.134 0.000 1.105 1441 F CA 1.780 59.742 58.000 -0.063 0.000 1.239 1441 F CB -0.373 38.582 39.000 -0.076 0.000 0.991 1441 F HN 0.148 nan 8.300 nan 0.000 0.474 1442 L N 0.053 121.115 121.223 -0.268 0.000 2.046 1442 L HA -0.184 4.156 4.340 0.000 0.000 0.208 1442 L C 2.520 179.144 176.870 -0.410 0.000 1.077 1442 L CA 1.401 55.932 54.840 -0.515 0.000 0.747 1442 L CB -0.624 41.256 42.059 -0.298 0.000 0.896 1442 L HN 0.029 nan 8.230 nan 0.000 0.432 1443 R N -0.345 120.035 120.500 -0.200 0.000 2.316 1443 R HA -0.076 4.265 4.340 0.000 0.000 0.202 1443 R C 2.353 178.556 176.300 -0.162 0.000 1.029 1443 R CA 1.112 57.135 56.100 -0.128 0.000 1.018 1443 R CB -0.176 30.104 30.300 -0.033 0.000 0.888 1443 R HN 0.437 nan 8.270 nan 0.000 0.471 1444 S N -0.430 115.117 115.700 -0.255 0.000 2.501 1444 S HA 0.050 4.520 4.470 0.000 0.000 0.220 1444 S C 0.938 175.381 174.600 -0.262 0.000 0.997 1444 S CA -0.333 57.734 58.200 -0.221 0.000 0.919 1444 S CB 0.142 63.224 63.200 -0.197 0.000 0.778 1444 S HN -0.092 nan 8.310 nan 0.000 0.523 1445 V N 2.728 122.418 119.914 -0.374 0.000 2.740 1445 V HA 0.220 4.340 4.120 0.000 0.000 0.303 1445 V C 0.849 176.866 176.094 -0.128 0.000 1.054 1445 V CA -0.193 61.947 62.300 -0.267 0.000 1.106 1445 V CB 1.105 32.736 31.823 -0.320 0.000 0.957 1445 V HN 0.506 nan 8.190 nan 0.000 0.486 1446 S N 3.911 119.568 115.700 -0.072 0.000 2.549 1446 S HA 0.172 4.642 4.470 0.000 0.000 0.279 1446 S C 1.318 175.870 174.600 -0.080 0.000 1.321 1446 S CA -0.796 57.366 58.200 -0.064 0.000 1.054 1446 S CB 0.202 63.371 63.200 -0.051 0.000 0.899 1446 S HN 0.511 nan 8.310 nan 0.000 0.497 1447 I N 3.282 123.764 120.570 -0.146 0.000 2.300 1447 I HA -0.151 4.019 4.170 0.000 0.000 0.252 1447 I C 1.074 176.860 176.117 -0.551 0.000 1.119 1447 I CA 1.510 62.580 61.300 -0.383 0.000 1.384 1447 I CB -0.852 37.000 38.000 -0.247 0.000 1.062 1447 I HN 0.645 nan 8.210 nan 0.000 0.426 1448 D N -0.158 120.094 120.400 -0.247 0.000 2.427 1448 D HA 0.079 4.719 4.640 0.000 0.000 0.224 1448 D C 0.682 176.943 176.300 -0.066 0.000 1.157 1448 D CA 0.183 54.085 54.000 -0.164 0.000 0.828 1448 D CB 0.476 41.218 40.800 -0.097 0.000 0.974 1448 D HN 0.056 nan 8.370 nan 0.000 0.498 1449 S N 0.128 115.818 115.700 -0.016 0.000 2.509 1449 S HA 0.637 5.108 4.470 0.000 0.000 0.297 1449 S C 0.048 174.750 174.600 0.169 0.000 1.118 1449 S CA -0.604 57.635 58.200 0.065 0.000 1.074 1449 S CB 1.477 64.716 63.200 0.064 0.000 1.038 1449 S HN 0.185 nan 8.310 nan 0.000 0.498 1450 A N 2.880 125.775 122.820 0.126 0.000 2.429 1450 A HA 0.607 4.927 4.320 0.000 0.000 0.242 1450 A C -0.602 177.081 177.584 0.164 0.000 1.088 1450 A CA -0.017 52.102 52.037 0.136 0.000 0.784 1450 A CB -0.064 18.980 19.000 0.073 0.000 1.038 1450 A HN 0.956 nan 8.150 nan 0.000 0.501 1451 F N -0.444 119.478 119.950 -0.047 0.000 2.604 1451 F HA 0.562 5.089 4.527 0.000 0.000 0.316 1451 F C -0.651 175.079 175.800 -0.115 0.000 1.136 1451 F CA -0.211 57.710 58.000 -0.132 0.000 0.989 1451 F CB 1.574 40.423 39.000 -0.252 0.000 1.258 1451 F HN 0.714 nan 8.300 nan 0.000 0.451 1452 Q N 4.637 124.043 119.800 -0.657 0.000 2.378 1452 Q HA 0.724 5.064 4.340 0.000 0.000 0.262 1452 Q C -2.165 173.618 176.000 -0.362 0.000 0.978 1452 Q CA -0.653 54.992 55.803 -0.263 0.000 0.918 1452 Q CB 2.208 30.931 28.738 -0.026 0.000 1.415 1452 Q HN 1.006 nan 8.270 nan 0.000 0.409 1453 A N 2.716 125.530 122.820 -0.010 0.000 2.532 1453 A HA 0.868 5.188 4.320 0.000 0.000 0.290 1453 A C -1.628 176.306 177.584 0.583 0.000 1.143 1453 A CA -0.584 51.605 52.037 0.253 0.000 0.728 1453 A CB 1.860 21.102 19.000 0.404 0.000 1.317 1453 A HN 0.746 nan 8.150 nan 0.000 0.414 1454 E N 0.163 120.636 120.200 0.456 0.000 2.356 1454 E HA 0.694 5.044 4.350 0.000 0.000 0.275 1454 E C -1.360 175.219 176.600 -0.035 0.000 0.904 1454 E CA -0.730 55.849 56.400 0.298 0.000 0.757 1454 E CB 1.979 31.800 29.700 0.202 0.000 1.232 1454 E HN 0.291 nan 8.360 nan 0.000 0.442 1455 S N 1.262 116.676 115.700 -0.476 0.000 2.501 1455 S HA 0.404 4.874 4.470 0.000 0.000 0.301 1455 S C -1.364 173.077 174.600 -0.266 0.000 1.096 1455 S CA -0.558 57.336 58.200 -0.509 0.000 1.063 1455 S CB 0.503 63.068 63.200 -1.058 0.000 1.042 1455 S HN 0.416 nan 8.310 nan 0.000 0.494 1456 Y N 2.583 122.842 120.300 -0.069 0.000 2.331 1456 Y HA 0.505 5.055 4.550 0.000 0.000 0.338 1456 Y C 0.409 176.304 175.900 -0.007 0.000 0.976 1456 Y CA -0.876 57.223 58.100 -0.002 0.000 1.137 1456 Y CB 0.785 39.298 38.460 0.087 0.000 1.172 1456 Y HN 0.533 nan 8.280 nan 0.000 0.478 1457 I N 1.195 121.812 120.570 0.079 0.000 2.339 1457 I HA 0.464 4.634 4.170 0.000 0.000 0.290 1457 I C -0.627 175.495 176.117 0.009 0.000 0.994 1457 I CA -0.995 60.359 61.300 0.090 0.000 1.191 1457 I CB 1.583 39.554 38.000 -0.049 0.000 1.343 1457 I HN 0.549 nan 8.210 nan 0.000 0.458 1458 Q N 6.954 126.758 119.800 0.008 0.000 2.295 1458 Q HA 0.395 4.735 4.340 0.000 0.000 0.259 1458 Q C -1.085 174.713 176.000 -0.337 0.000 0.976 1458 Q CA -0.508 55.180 55.803 -0.191 0.000 0.923 1458 Q CB 0.921 29.557 28.738 -0.171 0.000 1.185 1458 Q HN 0.659 nan 8.270 nan 0.000 0.410 1459 M N 2.872 122.103 119.600 -0.614 0.000 2.724 1459 M HA 0.475 4.955 4.480 0.000 0.000 0.310 1459 M C -0.900 175.078 176.300 -0.538 0.000 1.217 1459 M CA -0.657 54.229 55.300 -0.690 0.000 0.894 1459 M CB 1.635 33.576 32.600 -1.098 0.000 1.719 1459 M HN 0.462 nan 8.290 nan 0.000 0.479 1460 K N 1.265 121.534 120.400 -0.218 0.000 2.463 1460 K HA 0.452 4.772 4.320 0.000 0.000 0.255 1460 K C -0.826 175.876 176.600 0.171 0.000 0.942 1460 K CA -0.693 55.614 56.287 0.033 0.000 0.814 1460 K CB 1.714 34.270 32.500 0.093 0.000 1.122 1460 K HN 0.496 nan 8.250 nan 0.000 0.425 1461 R N 4.408 125.094 120.500 0.311 0.000 2.404 1461 R HA 0.098 4.438 4.340 0.000 0.000 0.315 1461 R C 0.336 176.687 176.300 0.084 0.000 1.032 1461 R CA 0.250 56.467 56.100 0.195 0.000 0.992 1461 R CB -0.271 30.102 30.300 0.121 0.000 0.959 1461 R HN 0.778 nan 8.270 nan 0.000 0.428 1462 I N 0.903 121.488 120.570 0.025 0.000 4.240 1462 I HA 0.563 4.733 4.170 0.000 0.000 0.331 1462 I C -0.035 176.094 176.117 0.020 0.000 1.381 1462 I CA -0.314 60.998 61.300 0.019 0.000 1.136 1462 I CB 0.814 38.821 38.000 0.011 0.000 1.137 1462 I HN 0.433 nan 8.210 nan 0.000 0.411 1463 A N 0.545 123.382 122.820 0.029 0.000 2.574 1463 A HA 0.723 5.044 4.320 0.000 0.000 0.297 1463 A C -0.625 177.113 177.584 0.256 0.000 1.062 1463 A CA -0.548 51.563 52.037 0.124 0.000 0.686 1463 A CB 1.362 20.455 19.000 0.156 0.000 1.285 1463 A HN -0.069 nan 8.150 nan 0.000 0.403 1464 V N 1.347 121.387 119.914 0.210 0.000 2.872 1464 V HA 0.532 4.652 4.120 0.000 0.000 0.307 1464 V C 1.179 177.415 176.094 0.237 0.000 1.072 1464 V CA 1.865 64.280 62.300 0.192 0.000 1.148 1464 V CB 0.739 32.622 31.823 0.099 0.000 0.954 1464 V HN 2.181 nan 8.190 nan 0.000 0.490 1465 G N 3.733 112.583 108.800 0.083 0.000 2.340 1465 G HA2 0.196 4.156 3.960 0.000 0.000 0.282 1465 G HA3 0.196 4.156 3.960 0.000 0.000 0.282 1465 G C -0.736 173.891 174.900 -0.454 0.000 1.312 1465 G CA -0.264 44.679 45.100 -0.261 0.000 0.942 1465 G HN 0.691 nan 8.290 nan 0.000 0.495 1466 T N 1.056 115.162 114.554 -0.747 0.000 2.815 1466 T HA 0.659 5.009 4.350 0.000 0.000 0.289 1466 T C -1.116 173.178 174.700 -0.676 0.000 1.000 1466 T CA -0.068 61.738 62.100 -0.489 0.000 0.958 1466 T CB 0.657 69.385 68.868 -0.233 0.000 0.944 1466 T HN 0.473 nan 8.240 nan 0.000 0.442 1467 F N 1.265 121.257 119.950 0.070 0.000 2.495 1467 F HA 0.548 5.075 4.527 0.000 0.000 0.327 1467 F C 0.765 176.629 175.800 0.106 0.000 1.103 1467 F CA -1.145 56.915 58.000 0.100 0.000 0.949 1467 F CB 1.578 40.666 39.000 0.147 0.000 1.142 1467 F HN 0.403 nan 8.300 nan 0.000 0.457 1468 E N 0.908 121.254 120.200 0.244 0.000 2.232 1468 E HA 0.449 4.799 4.350 0.000 0.000 0.265 1468 E C -1.170 175.496 176.600 0.109 0.000 1.001 1468 E CA -1.107 55.382 56.400 0.149 0.000 0.870 1468 E CB 1.830 31.580 29.700 0.082 0.000 1.175 1468 E HN 0.522 nan 8.360 nan 0.000 0.407 1469 N N -0.058 118.642 118.700 -0.001 0.000 2.369 1469 N HA 0.330 5.070 4.740 0.000 0.000 0.287 1469 N C -1.916 173.533 175.510 -0.102 0.000 1.067 1469 N CA -0.253 52.704 53.050 -0.154 0.000 0.888 1469 N CB 1.937 40.046 38.487 -0.630 0.000 1.616 1469 N HN 0.276 nan 8.380 nan 0.000 0.482 1470 T N 1.821 116.340 114.554 -0.059 0.000 2.907 1470 T HA 0.504 4.854 4.350 0.000 0.000 0.292 1470 T C -1.465 173.266 174.700 0.051 0.000 1.043 1470 T CA -0.431 61.670 62.100 0.001 0.000 1.003 1470 T CB 0.907 69.775 68.868 0.000 0.000 1.084 1470 T HN 0.468 nan 8.240 nan 0.000 0.483 1471 Y N 0.693 120.969 120.300 -0.040 0.000 2.576 1471 Y HA 0.807 5.357 4.550 0.000 0.000 0.346 1471 Y C -1.790 174.140 175.900 0.050 0.000 1.018 1471 Y CA -1.578 56.514 58.100 -0.015 0.000 1.050 1471 Y CB 1.190 39.647 38.460 -0.004 0.000 1.280 1471 Y HN 0.383 nan 8.280 nan 0.000 0.474 1472 I N 3.899 124.373 120.570 -0.160 0.000 2.362 1472 I HA 0.249 4.419 4.170 0.000 0.000 0.289 1472 I C -0.699 175.283 176.117 -0.225 0.000 0.994 1472 I CA -0.505 60.666 61.300 -0.215 0.000 1.158 1472 I CB 1.156 39.220 38.000 0.106 0.000 1.315 1472 I HN 0.834 nan 8.210 nan 0.000 0.451 1473 N N 4.832 123.285 118.700 -0.412 0.000 2.426 1473 N HA 0.288 5.028 4.740 0.000 0.000 0.257 1473 N C -0.842 174.580 175.510 -0.146 0.000 1.002 1473 N CA -0.160 52.740 53.050 -0.249 0.000 0.942 1473 N CB 0.982 39.274 38.487 -0.325 0.000 1.112 1473 N HN 0.464 nan 8.380 nan 0.000 0.499 1474 T N 2.672 117.129 114.554 -0.162 0.000 2.749 1474 T HA 0.294 4.644 4.350 0.000 0.000 0.287 1474 T C -0.258 174.338 174.700 -0.173 0.000 0.970 1474 T CA -0.398 61.639 62.100 -0.105 0.000 0.980 1474 T CB 1.260 70.080 68.868 -0.079 0.000 0.924 1474 T HN 0.196 nan 8.240 nan 0.000 0.456 1475 V N 4.651 124.514 119.914 -0.086 0.000 2.407 1475 V HA 0.337 4.457 4.120 0.000 0.000 0.291 1475 V C 0.047 176.027 176.094 -0.190 0.000 1.018 1475 V CA -1.184 61.025 62.300 -0.153 0.000 0.842 1475 V CB 1.184 32.929 31.823 -0.129 0.000 0.996 1475 V HN 0.936 nan 8.190 nan 0.000 0.426 1476 N N 4.207 122.635 118.700 -0.452 0.000 2.686 1476 N HA -0.211 4.529 4.740 0.000 0.000 0.261 1476 N C 1.193 176.557 175.510 -0.243 0.000 1.001 1476 N CA 1.723 54.305 53.050 -0.780 0.000 0.764 1476 N CB -0.933 37.194 38.487 -0.599 0.000 0.898 1476 N HN 1.495 nan 8.380 nan 0.000 0.544 1477 G N -3.288 105.438 108.800 -0.123 0.000 2.179 1477 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 1477 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 1477 G C -0.016 174.854 174.900 -0.051 0.000 0.977 1477 G CA 0.299 45.404 45.100 0.009 0.000 0.641 1477 G HN 0.567 nan 8.290 nan 0.000 0.533 1478 V N 1.954 121.817 119.914 -0.085 0.000 2.495 1478 V HA 0.694 4.814 4.120 0.000 0.000 0.298 1478 V C 0.676 176.602 176.094 -0.281 0.000 1.031 1478 V CA -0.016 62.175 62.300 -0.182 0.000 0.871 1478 V CB 1.713 33.440 31.823 -0.161 0.000 0.988 1478 V HN 0.714 nan 8.190 nan 0.000 0.432 1479 T N 2.029 116.354 114.554 -0.382 0.000 2.845 1479 T HA 0.699 5.049 4.350 0.000 0.000 0.288 1479 T C -0.983 173.392 174.700 -0.540 0.000 0.980 1479 T CA -0.377 61.532 62.100 -0.317 0.000 1.071 1479 T CB 0.589 69.332 68.868 -0.208 0.000 0.941 1479 T HN 0.404 nan 8.240 nan 0.000 0.487 1480 Y N 0.765 120.963 120.300 -0.171 0.000 2.391 1480 Y HA 0.566 5.116 4.550 0.000 0.000 0.341 1480 Y C 0.556 176.315 175.900 -0.236 0.000 0.965 1480 Y CA -1.041 56.953 58.100 -0.176 0.000 1.067 1480 Y CB 2.418 40.771 38.460 -0.178 0.000 1.199 1480 Y HN 0.706 nan 8.280 nan 0.000 0.450 1481 S N 1.976 117.643 115.700 -0.055 0.000 2.508 1481 S HA 0.438 4.908 4.470 0.000 0.000 0.284 1481 S C 0.016 174.531 174.600 -0.141 0.000 1.192 1481 S CA -0.709 57.415 58.200 -0.127 0.000 1.070 1481 S CB 0.391 63.548 63.200 -0.072 0.000 1.004 1481 S HN 0.761 nan 8.310 nan 0.000 0.493 1482 S N 4.346 119.907 115.700 -0.232 0.000 2.641 1482 S HA 0.307 4.777 4.470 0.000 0.000 0.261 1482 S C 0.308 174.899 174.600 -0.015 0.000 1.257 1482 S CA -0.866 57.271 58.200 -0.105 0.000 0.983 1482 S CB 0.081 63.273 63.200 -0.014 0.000 0.990 1482 S HN 0.862 nan 8.310 nan 0.000 0.572 1483 N N 0.104 118.823 118.700 0.031 0.000 2.371 1483 N HA 0.083 4.823 4.740 0.000 0.000 0.243 1483 N C -0.832 174.704 175.510 0.043 0.000 1.287 1483 N CA -0.165 52.907 53.050 0.036 0.000 0.911 1483 N CB -0.321 38.196 38.487 0.049 0.000 1.142 1483 N HN 0.612 nan 8.380 nan 0.000 0.451 1484 T N 0.392 114.967 114.554 0.036 0.000 2.749 1484 T HA 0.361 4.712 4.350 0.000 0.000 0.287 1484 T C 0.499 175.228 174.700 0.048 0.000 0.970 1484 T CA -0.812 61.308 62.100 0.034 0.000 0.980 1484 T CB 0.645 69.528 68.868 0.026 0.000 0.924 1484 T HN 0.496 nan 8.240 nan 0.000 0.456 1485 V N 1.261 121.209 119.914 0.057 0.000 3.134 1485 V HA 0.751 4.871 4.120 0.000 0.000 0.313 1485 V C -0.159 175.995 176.094 0.099 0.000 1.069 1485 V CA -0.872 61.482 62.300 0.091 0.000 1.048 1485 V CB 1.381 33.291 31.823 0.145 0.000 1.119 1485 V HN 0.814 nan 8.190 nan 0.000 0.461 1486 K N 1.288 121.754 120.400 0.110 0.000 2.616 1486 K HA 0.514 4.834 4.320 0.000 0.000 0.255 1486 K C -0.807 175.850 176.600 0.095 0.000 0.995 1486 K CA -0.124 56.224 56.287 0.102 0.000 0.860 1486 K CB 1.958 34.492 32.500 0.058 0.000 1.264 1486 K HN 1.174 nan 8.250 nan 0.000 0.451 1487 T N -0.609 114.017 114.554 0.120 0.000 2.940 1487 T HA 0.663 5.013 4.350 0.000 0.000 0.288 1487 T C -0.061 174.678 174.700 0.065 0.000 1.045 1487 T CA -0.695 61.444 62.100 0.066 0.000 1.018 1487 T CB 1.693 70.569 68.868 0.012 0.000 1.151 1487 T HN 0.513 nan 8.240 nan 0.000 0.529 1488 T N -1.312 113.259 114.554 0.029 0.000 2.900 1488 T HA 0.765 5.115 4.350 0.000 0.000 0.295 1488 T C -0.524 174.200 174.700 0.039 0.000 1.044 1488 T CA -0.701 61.411 62.100 0.020 0.000 0.995 1488 T CB 1.802 70.663 68.868 -0.012 0.000 1.072 1488 T HN 0.729 nan 8.240 nan 0.000 0.473 1489 T N 0.000 114.597 114.554 0.072 0.000 3.816 1489 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1489 T CA 0.000 62.148 62.100 0.080 0.000 1.349 1489 T CB 0.000 68.961 68.868 0.155 0.000 0.612 1489 T HN 0.000 nan 8.240 nan 0.000 0.658