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 2xxz_1_A DATA FIRST_RESID 1175 DATA SEQUENCE REKLNPPTPS IYLESKRDAF SPVLLQFCTD PRNPITVIRG LAGSLRLNLG DATA SEQUENCE LFSTKTLVEA SGEHTVEVRT QVQQPSDENW DLTGTRQIWP CESSRSHTTI DATA SEQUENCE AKYAQYQASS FQESLQEEXX XXXXXXXXXX XXXXXXXXXX XXXXXHHIIK DATA SEQUENCE FGTNIDLSDA KRWKPQLQEL LKLPAFMRVT STGNMLSHVG HTILGMNTVQ DATA SEQUENCE LYMKVPGSRT PGHQENNNFC SVNINIGPGD CEWFAVHEHY WETISAFCDR DATA SEQUENCE HGVDYLTGSW WPILDDLYAS NIPVYRFVQR PGDLVWINAG TVHWVQATGW DATA SEQUENCE CNNIAWNVGP LTAYQYQLA 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 1175 R HA 0.000 nan 4.340 nan 0.000 0.208 1175 R C 0.000 176.221 176.300 -0.132 0.000 0.893 1175 R CA 0.000 56.034 56.100 -0.110 0.000 0.921 1175 R CB 0.000 30.255 30.300 -0.075 0.000 0.687 1176 E N 0.206 120.348 120.200 -0.097 0.000 2.474 1176 E HA 0.193 4.541 4.350 -0.003 0.000 0.215 1176 E C 0.978 177.528 176.600 -0.083 0.000 0.867 1176 E CA 0.261 56.607 56.400 -0.090 0.000 1.135 1176 E CB 0.542 30.205 29.700 -0.062 0.000 1.147 1176 E HN 0.508 nan 8.360 nan 0.000 0.534 1177 K N 0.592 120.950 120.400 -0.069 0.000 2.362 1177 K HA 0.064 4.383 4.320 -0.003 0.000 0.200 1177 K C 1.863 178.413 176.600 -0.083 0.000 1.046 1177 K CA 0.506 56.757 56.287 -0.059 0.000 0.952 1177 K CB 0.172 32.653 32.500 -0.031 0.000 0.753 1177 K HN 0.163 nan 8.250 nan 0.000 0.466 1178 L N -0.049 121.108 121.223 -0.110 0.000 2.509 1178 L HA 0.012 4.350 4.340 -0.003 0.000 0.222 1178 L C 0.779 177.569 176.870 -0.133 0.000 1.123 1178 L CA 0.145 54.914 54.840 -0.117 0.000 0.856 1178 L CB -0.033 41.916 42.059 -0.183 0.000 0.985 1178 L HN 0.036 nan 8.230 nan 0.000 0.456 1179 N N 0.813 119.422 118.700 -0.152 0.000 2.914 1179 N HA 0.193 4.931 4.740 -0.003 0.000 0.304 1179 N C -2.427 173.002 175.510 -0.135 0.000 1.727 1179 N CA -1.883 51.094 53.050 -0.121 0.000 0.986 1179 N CB 0.509 38.931 38.487 -0.108 0.000 1.297 1179 N HN -0.029 nan 8.380 nan 0.000 0.490 1180 P HA 0.244 nan 4.420 nan 0.000 0.272 1180 P C -2.679 174.558 177.300 -0.105 0.000 1.223 1180 P CA -0.950 62.014 63.100 -0.227 0.000 0.784 1180 P CB 0.042 31.481 31.700 -0.435 0.000 0.923 1181 P HA 0.075 nan 4.420 nan 0.000 0.271 1181 P C -0.320 177.094 177.300 0.191 0.000 1.218 1181 P CA 0.204 63.348 63.100 0.074 0.000 0.780 1181 P CB 0.180 31.912 31.700 0.054 0.000 0.901 1182 T N 4.435 119.079 114.554 0.150 0.000 2.817 1182 T HA 0.285 4.634 4.350 -0.003 0.000 0.293 1182 T C -2.193 172.489 174.700 -0.029 0.000 0.964 1182 T CA -1.030 61.116 62.100 0.078 0.000 1.085 1182 T CB -0.137 68.624 68.868 -0.178 0.000 0.921 1182 T HN 0.297 nan 8.240 nan 0.000 0.502 1183 P HA 0.236 nan 4.420 nan 0.000 0.263 1183 P C -0.956 176.335 177.300 -0.015 0.000 1.195 1183 P CA 0.016 63.150 63.100 0.056 0.000 0.762 1183 P CB 0.459 32.192 31.700 0.055 0.000 0.799 1184 S N 3.274 118.979 115.700 0.008 0.000 2.548 1184 S HA 0.574 5.043 4.470 -0.003 0.000 0.276 1184 S C -0.818 173.690 174.600 -0.153 0.000 1.129 1184 S CA -0.523 57.617 58.200 -0.101 0.000 0.931 1184 S CB 1.046 64.189 63.200 -0.094 0.000 1.068 1184 S HN 0.197 nan 8.310 nan 0.000 0.480 1185 I N 2.932 123.379 120.570 -0.206 0.000 2.465 1185 I HA 0.378 4.547 4.170 -0.003 0.000 0.291 1185 I C -1.113 174.955 176.117 -0.081 0.000 1.014 1185 I CA -0.744 60.405 61.300 -0.251 0.000 1.093 1185 I CB 1.553 39.318 38.000 -0.392 0.000 1.267 1185 I HN 0.769 nan 8.210 nan 0.000 0.431 1186 Y N 6.694 126.903 120.300 -0.153 0.000 2.328 1186 Y HA 0.532 5.080 4.550 -0.003 0.000 0.337 1186 Y C -0.947 174.897 175.900 -0.094 0.000 0.966 1186 Y CA -0.720 57.318 58.100 -0.104 0.000 1.136 1186 Y CB 1.302 39.718 38.460 -0.073 0.000 1.170 1186 Y HN 0.385 nan 8.280 nan 0.000 0.470 1187 L N 6.998 127.788 121.223 -0.722 0.000 2.255 1187 L HA 0.315 4.653 4.340 -0.003 0.000 0.289 1187 L C 0.948 177.394 176.870 -0.707 0.000 1.046 1187 L CA -0.318 54.199 54.840 -0.538 0.000 0.816 1187 L CB 1.228 43.087 42.059 -0.334 0.000 1.197 1187 L HN 0.713 nan 8.230 nan 0.000 0.427 1188 E N 1.025 120.984 120.200 -0.402 0.000 2.216 1188 E HA -0.036 4.312 4.350 -0.003 0.000 0.192 1188 E C 0.540 177.071 176.600 -0.114 0.000 0.988 1188 E CA 0.418 56.703 56.400 -0.193 0.000 0.834 1188 E CB 0.613 30.311 29.700 -0.003 0.000 0.772 1188 E HN 0.487 nan 8.360 nan 0.000 0.479 1189 S N -0.008 115.630 115.700 -0.104 0.000 2.536 1189 S HA 0.209 4.678 4.470 -0.003 0.000 0.287 1189 S C 0.628 175.213 174.600 -0.025 0.000 1.101 1189 S CA -0.788 57.387 58.200 -0.042 0.000 0.950 1189 S CB 1.734 64.925 63.200 -0.014 0.000 1.056 1189 S HN 0.096 nan 8.310 nan 0.000 0.481 1190 K N 3.472 123.886 120.400 0.024 0.000 2.280 1190 K HA -0.017 4.301 4.320 -0.003 0.000 0.202 1190 K C 1.569 178.284 176.600 0.192 0.000 1.047 1190 K CA 0.990 57.340 56.287 0.104 0.000 0.942 1190 K CB -0.129 32.468 32.500 0.161 0.000 0.739 1190 K HN 0.553 nan 8.250 nan 0.000 0.457 1191 R N 0.866 121.438 120.500 0.119 0.000 2.152 1191 R HA -0.069 4.270 4.340 -0.003 0.000 0.232 1191 R C 1.251 177.633 176.300 0.138 0.000 1.117 1191 R CA 1.563 57.745 56.100 0.137 0.000 0.981 1191 R CB -0.108 30.230 30.300 0.063 0.000 0.870 1191 R HN 0.386 nan 8.270 nan 0.000 0.451 1192 D N -0.044 120.395 120.400 0.064 0.000 2.347 1192 D HA -0.002 4.636 4.640 -0.003 0.000 0.213 1192 D C 1.447 177.751 176.300 0.006 0.000 0.985 1192 D CA 0.663 54.676 54.000 0.021 0.000 0.879 1192 D CB 0.287 41.067 40.800 -0.032 0.000 0.919 1192 D HN 0.249 nan 8.370 nan 0.000 0.526 1193 A N 0.378 123.193 122.820 -0.008 0.000 1.930 1193 A HA -0.044 4.275 4.320 -0.003 0.000 0.215 1193 A C 1.045 178.523 177.584 -0.176 0.000 1.176 1193 A CA 0.386 52.334 52.037 -0.148 0.000 0.632 1193 A CB -0.487 18.322 19.000 -0.318 0.000 0.819 1193 A HN 0.076 nan 8.150 nan 0.000 0.445 1194 F N 0.963 120.962 119.950 0.082 0.000 2.733 1194 F HA 0.413 4.938 4.527 -0.003 0.000 0.344 1194 F C 0.774 176.647 175.800 0.121 0.000 1.179 1194 F CA 0.262 58.332 58.000 0.116 0.000 1.316 1194 F CB 0.126 39.158 39.000 0.053 0.000 1.577 1194 F HN 0.051 nan 8.300 nan 0.000 0.591 1195 S N 0.799 116.634 115.700 0.226 0.000 2.548 1195 S HA 0.412 4.880 4.470 -0.003 0.000 0.276 1195 S C -1.917 172.671 174.600 -0.019 0.000 1.129 1195 S CA -1.477 56.783 58.200 0.100 0.000 0.931 1195 S CB 1.680 64.912 63.200 0.053 0.000 1.068 1195 S HN -0.021 nan 8.310 nan 0.000 0.480 1196 P HA -0.011 nan 4.420 nan 0.000 0.226 1196 P C 1.419 178.644 177.300 -0.126 0.000 1.153 1196 P CA 0.567 63.589 63.100 -0.130 0.000 0.777 1196 P CB -0.045 31.635 31.700 -0.033 0.000 0.794 1197 V N 0.231 120.103 119.914 -0.071 0.000 2.358 1197 V HA -0.205 3.913 4.120 -0.003 0.000 0.246 1197 V C 2.528 178.578 176.094 -0.073 0.000 1.047 1197 V CA 1.452 63.723 62.300 -0.048 0.000 1.035 1197 V CB -1.256 30.556 31.823 -0.018 0.000 0.658 1197 V HN 0.060 nan 8.190 nan 0.000 0.452 1198 L N 0.038 121.192 121.223 -0.115 0.000 2.046 1198 L HA -0.129 4.209 4.340 -0.003 0.000 0.208 1198 L C 2.231 178.923 176.870 -0.297 0.000 1.077 1198 L CA 1.879 56.635 54.840 -0.139 0.000 0.747 1198 L CB -0.831 41.200 42.059 -0.046 0.000 0.896 1198 L HN 0.302 nan 8.230 nan 0.000 0.432 1199 L N -0.195 120.629 121.223 -0.666 0.000 1.997 1199 L HA -0.309 4.029 4.340 -0.003 0.000 0.216 1199 L C 2.481 179.104 176.870 -0.412 0.000 1.074 1199 L CA 2.133 56.392 54.840 -0.968 0.000 0.763 1199 L CB -0.907 40.429 42.059 -1.204 0.000 0.890 1199 L HN 0.488 nan 8.230 nan 0.000 0.434 1200 Q N -1.803 117.887 119.800 -0.185 0.000 2.124 1200 Q HA -0.219 4.119 4.340 -0.003 0.000 0.202 1200 Q C 2.182 178.122 176.000 -0.101 0.000 0.977 1200 Q CA 1.830 57.584 55.803 -0.082 0.000 0.850 1200 Q CB -0.348 28.355 28.738 -0.059 0.000 0.901 1200 Q HN 0.558 nan 8.270 nan 0.000 0.429 1201 F N 0.448 120.268 119.950 -0.217 0.000 2.095 1201 F HA -0.293 4.232 4.527 -0.003 0.000 0.298 1201 F C 2.101 177.740 175.800 -0.268 0.000 1.104 1201 F CA 1.239 59.119 58.000 -0.199 0.000 1.232 1201 F CB -0.316 38.579 39.000 -0.174 0.000 0.987 1201 F HN 0.094 nan 8.300 nan 0.000 0.475 1202 C N -0.316 118.885 119.300 -0.164 0.000 2.446 1202 C HA -0.138 4.320 4.460 -0.003 0.000 0.277 1202 C C 2.749 177.431 174.990 -0.513 0.000 1.275 1202 C CA 1.689 60.387 59.018 -0.534 0.000 1.727 1202 C CB -1.547 25.424 27.740 -1.282 0.000 2.010 1202 C HN 0.665 nan 8.230 nan 0.000 0.486 1203 T N -1.565 112.765 114.554 -0.372 0.000 3.113 1203 T HA -0.051 4.297 4.350 -0.003 0.000 0.256 1203 T C 0.326 174.970 174.700 -0.093 0.000 1.131 1203 T CA 0.368 62.416 62.100 -0.086 0.000 1.074 1203 T CB -0.479 68.447 68.868 0.096 0.000 0.944 1203 T HN 0.430 nan 8.240 nan 0.000 0.516 1204 D N 3.797 124.100 120.400 -0.161 0.000 2.451 1204 D HA 0.040 4.678 4.640 -0.003 0.000 0.254 1204 D C -1.163 175.075 176.300 -0.103 0.000 1.204 1204 D CA -2.028 51.879 54.000 -0.155 0.000 0.896 1204 D CB 1.391 42.049 40.800 -0.237 0.000 1.136 1204 D HN 0.135 nan 8.370 nan 0.000 0.499 1205 P HA -0.067 nan 4.420 nan 0.000 0.230 1205 P C 0.883 178.250 177.300 0.113 0.000 1.158 1205 P CA 0.521 63.613 63.100 -0.013 0.000 0.769 1205 P CB 0.285 31.969 31.700 -0.028 0.000 0.807 1206 R N -0.571 119.978 120.500 0.082 0.000 2.280 1206 R HA 0.048 4.387 4.340 -0.003 0.000 0.207 1206 R C 0.175 176.525 176.300 0.083 0.000 1.043 1206 R CA 0.402 56.578 56.100 0.126 0.000 1.006 1206 R CB -0.344 29.977 30.300 0.036 0.000 0.885 1206 R HN 0.174 nan 8.270 nan 0.000 0.467 1207 N N 1.052 119.730 118.700 -0.037 0.000 2.678 1207 N HA 0.124 4.862 4.740 -0.003 0.000 0.231 1207 N C -2.152 173.278 175.510 -0.134 0.000 1.038 1207 N CA -1.890 51.085 53.050 -0.124 0.000 0.932 1207 N CB 1.468 39.848 38.487 -0.179 0.000 1.176 1207 N HN -0.129 nan 8.380 nan 0.000 0.511 1208 P HA -0.080 nan 4.420 nan 0.000 0.216 1208 P C 0.388 177.592 177.300 -0.160 0.000 1.150 1208 P CA 1.163 64.149 63.100 -0.191 0.000 0.837 1208 P CB 0.336 31.911 31.700 -0.210 0.000 0.786 1209 I N -6.019 114.405 120.570 -0.242 0.000 3.174 1209 I HA 0.537 4.706 4.170 -0.003 0.000 0.313 1209 I C -1.298 174.702 176.117 -0.195 0.000 1.155 1209 I CA -0.892 60.304 61.300 -0.173 0.000 0.977 1209 I CB 1.713 39.575 38.000 -0.230 0.000 1.248 1209 I HN -0.404 nan 8.210 nan 0.000 0.453 1210 T N 2.769 117.253 114.554 -0.118 0.000 2.921 1210 T HA 0.581 4.929 4.350 -0.003 0.000 0.297 1210 T C -0.625 173.946 174.700 -0.216 0.000 1.013 1210 T CA -0.395 61.632 62.100 -0.121 0.000 0.990 1210 T CB 2.093 70.981 68.868 0.033 0.000 1.023 1210 T HN 0.488 nan 8.240 nan 0.000 0.447 1211 V N 4.559 124.284 119.914 -0.314 0.000 2.370 1211 V HA 0.489 4.607 4.120 -0.003 0.000 0.279 1211 V C -0.117 175.868 176.094 -0.182 0.000 1.029 1211 V CA -0.714 61.401 62.300 -0.308 0.000 0.870 1211 V CB 0.959 32.527 31.823 -0.424 0.000 0.984 1211 V HN 0.774 nan 8.190 nan 0.000 0.451 1212 I N 5.985 126.473 120.570 -0.137 0.000 2.354 1212 I HA 0.493 4.662 4.170 -0.003 0.000 0.286 1212 I C 0.318 176.389 176.117 -0.077 0.000 1.007 1212 I CA -0.410 60.821 61.300 -0.115 0.000 1.167 1212 I CB 0.939 38.878 38.000 -0.102 0.000 1.320 1212 I HN 0.520 nan 8.210 nan 0.000 0.458 1213 R N 3.757 124.235 120.500 -0.035 0.000 2.598 1213 R HA 0.566 4.904 4.340 -0.003 0.000 0.279 1213 R C 0.920 177.202 176.300 -0.032 0.000 0.984 1213 R CA -0.264 55.871 56.100 0.059 0.000 0.999 1213 R CB 1.469 31.888 30.300 0.198 0.000 1.114 1213 R HN 0.898 nan 8.270 nan 0.000 0.493 1214 G N 0.924 109.725 108.800 0.002 0.000 2.179 1214 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.260 1214 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.260 1214 G C 0.505 175.303 174.900 -0.170 0.000 0.977 1214 G CA 0.591 45.584 45.100 -0.179 0.000 0.641 1214 G HN 0.543 nan 8.290 nan 0.000 0.533 1215 L N 0.749 121.900 121.223 -0.121 0.000 2.068 1215 L HA 0.605 4.944 4.340 -0.003 0.000 0.204 1215 L C 2.995 179.837 176.870 -0.046 0.000 1.076 1215 L CA 2.688 57.466 54.840 -0.103 0.000 0.753 1215 L CB -0.772 41.221 42.059 -0.110 0.000 0.910 1215 L HN 0.569 nan 8.230 nan 0.000 0.439 1216 A N -0.137 122.673 122.820 -0.016 0.000 1.908 1216 A HA -0.118 4.200 4.320 -0.003 0.000 0.218 1216 A C 2.308 179.910 177.584 0.029 0.000 1.181 1216 A CA 1.762 53.811 52.037 0.019 0.000 0.627 1216 A CB -1.731 17.290 19.000 0.035 0.000 0.818 1216 A HN 0.564 nan 8.150 nan 0.000 0.445 1217 G N -0.858 107.956 108.800 0.022 0.000 2.433 1217 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.216 1217 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.216 1217 G C 1.845 176.756 174.900 0.018 0.000 1.186 1217 G CA 1.306 46.424 45.100 0.030 0.000 0.779 1217 G HN 0.486 nan 8.290 nan 0.000 0.543 1218 S N 0.377 116.069 115.700 -0.013 0.000 2.383 1218 S HA 0.004 4.473 4.470 -0.003 0.000 0.229 1218 S C 2.142 176.763 174.600 0.035 0.000 1.030 1218 S CA 0.787 58.983 58.200 -0.006 0.000 1.002 1218 S CB -0.192 62.982 63.200 -0.043 0.000 0.829 1218 S HN 0.294 nan 8.310 nan 0.000 0.467 1219 L N 0.368 121.616 121.223 0.043 0.000 2.558 1219 L HA 0.234 4.572 4.340 -0.003 0.000 0.225 1219 L C 0.412 177.324 176.870 0.069 0.000 1.128 1219 L CA 0.073 54.960 54.840 0.080 0.000 0.868 1219 L CB -0.252 41.853 42.059 0.077 0.000 1.006 1219 L HN 0.196 nan 8.230 nan 0.000 0.454 1220 R N 0.564 121.097 120.500 0.055 0.000 3.333 1220 R HA -0.154 4.184 4.340 -0.003 0.000 0.256 1220 R C -0.407 175.934 176.300 0.068 0.000 1.010 1220 R CA 0.174 56.307 56.100 0.056 0.000 0.680 1220 R CB -2.192 28.137 30.300 0.048 0.000 1.102 1220 R HN 0.306 nan 8.270 nan 0.000 0.440 1221 L N 0.884 122.153 121.223 0.078 0.000 2.455 1221 L HA 0.066 4.404 4.340 -0.003 0.000 0.272 1221 L C 1.251 178.193 176.870 0.120 0.000 1.174 1221 L CA -0.201 54.702 54.840 0.104 0.000 0.869 1221 L CB 0.315 42.440 42.059 0.109 0.000 1.130 1221 L HN 0.125 nan 8.230 nan 0.000 0.474 1222 N N 4.101 122.880 118.700 0.131 0.000 2.671 1222 N HA 0.063 4.802 4.740 -0.003 0.000 0.274 1222 N C 0.810 176.444 175.510 0.206 0.000 1.188 1222 N CA 0.112 53.237 53.050 0.125 0.000 1.065 1222 N CB 0.383 38.915 38.487 0.076 0.000 1.415 1222 N HN 0.577 nan 8.380 nan 0.000 0.511 1223 L N 0.875 122.227 121.223 0.216 0.000 2.376 1223 L HA 0.034 4.372 4.340 -0.003 0.000 0.219 1223 L C 2.229 179.264 176.870 0.276 0.000 1.133 1223 L CA 0.654 55.680 54.840 0.311 0.000 0.816 1223 L CB -0.255 41.921 42.059 0.196 0.000 0.933 1223 L HN 0.453 nan 8.230 nan 0.000 0.449 1224 G N 0.443 109.336 108.800 0.155 0.000 2.479 1224 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.220 1224 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.220 1224 G C 1.575 176.508 174.900 0.054 0.000 1.115 1224 G CA 0.328 45.488 45.100 0.100 0.000 0.757 1224 G HN 0.298 nan 8.290 nan 0.000 0.560 1225 L N -0.851 120.363 121.223 -0.015 0.000 2.362 1225 L HA 0.093 4.431 4.340 -0.003 0.000 0.219 1225 L C 1.512 178.129 176.870 -0.421 0.000 1.134 1225 L CA 0.468 55.160 54.840 -0.247 0.000 0.807 1225 L CB -0.139 41.667 42.059 -0.422 0.000 0.927 1225 L HN 0.200 nan 8.230 nan 0.000 0.447 1226 F N -1.315 118.675 119.950 0.065 0.000 2.653 1226 F HA 0.123 4.648 4.527 -0.003 0.000 0.304 1226 F C 1.557 177.395 175.800 0.062 0.000 1.092 1226 F CA -0.630 57.401 58.000 0.052 0.000 1.279 1226 F CB -0.133 38.892 39.000 0.042 0.000 1.044 1226 F HN -0.078 nan 8.300 nan 0.000 0.564 1227 S N -0.973 114.834 115.700 0.178 0.000 2.579 1227 S HA 0.048 4.517 4.470 -0.003 0.000 0.275 1227 S C 1.386 176.064 174.600 0.130 0.000 1.345 1227 S CA -0.178 58.104 58.200 0.136 0.000 1.031 1227 S CB 1.232 64.488 63.200 0.093 0.000 0.892 1227 S HN 0.193 nan 8.310 nan 0.000 0.529 1228 T N 2.152 116.785 114.554 0.131 0.000 2.720 1228 T HA -0.163 4.185 4.350 -0.003 0.000 0.268 1228 T C 1.932 176.707 174.700 0.126 0.000 1.037 1228 T CA 1.708 63.896 62.100 0.147 0.000 1.144 1228 T CB -0.418 68.549 68.868 0.164 0.000 0.864 1228 T HN 0.819 nan 8.240 nan 0.000 0.444 1229 K N 1.097 121.553 120.400 0.093 0.000 2.074 1229 K HA -0.173 4.145 4.320 -0.003 0.000 0.209 1229 K C 1.989 178.635 176.600 0.077 0.000 1.048 1229 K CA 1.897 58.229 56.287 0.075 0.000 0.926 1229 K CB -0.873 31.659 32.500 0.052 0.000 0.713 1229 K HN 0.301 nan 8.250 nan 0.000 0.444 1230 T N 2.386 116.988 114.554 0.079 0.000 2.821 1230 T HA -0.006 4.343 4.350 -0.003 0.000 0.267 1230 T C 2.000 176.779 174.700 0.130 0.000 1.046 1230 T CA 1.326 63.470 62.100 0.074 0.000 1.139 1230 T CB -0.099 68.794 68.868 0.042 0.000 0.871 1230 T HN 0.183 nan 8.240 nan 0.000 0.454 1231 L N 0.755 122.090 121.223 0.187 0.000 2.093 1231 L HA -0.052 4.286 4.340 -0.003 0.000 0.208 1231 L C 2.625 179.635 176.870 0.233 0.000 1.085 1231 L CA 0.789 55.813 54.840 0.305 0.000 0.755 1231 L CB -0.787 41.423 42.059 0.252 0.000 0.904 1231 L HN 0.144 nan 8.230 nan 0.000 0.435 1232 V N 0.018 120.027 119.914 0.159 0.000 2.358 1232 V HA -0.269 3.849 4.120 -0.003 0.000 0.246 1232 V C 2.515 178.651 176.094 0.070 0.000 1.047 1232 V CA 1.903 64.275 62.300 0.120 0.000 1.035 1232 V CB -0.441 31.445 31.823 0.105 0.000 0.658 1232 V HN 0.510 nan 8.190 nan 0.000 0.452 1233 E N 0.431 120.662 120.200 0.051 0.000 2.077 1233 E HA -0.233 4.116 4.350 -0.003 0.000 0.193 1233 E C 2.187 178.765 176.600 -0.038 0.000 0.989 1233 E CA 1.528 57.933 56.400 0.009 0.000 0.800 1233 E CB -0.174 29.530 29.700 0.007 0.000 0.746 1233 E HN 0.562 nan 8.360 nan 0.000 0.452 1234 A N -0.227 122.554 122.820 -0.065 0.000 1.930 1234 A HA 0.020 4.339 4.320 -0.003 0.000 0.215 1234 A C 1.858 179.274 177.584 -0.279 0.000 1.176 1234 A CA 1.303 53.200 52.037 -0.233 0.000 0.632 1234 A CB 0.179 18.941 19.000 -0.397 0.000 0.819 1234 A HN 0.186 nan 8.150 nan 0.000 0.445 1235 S N -2.206 113.425 115.700 -0.115 0.000 2.865 1235 S HA 0.340 4.809 4.470 -0.003 0.000 0.240 1235 S C 1.165 175.832 174.600 0.112 0.000 0.795 1235 S CA 0.346 58.521 58.200 -0.041 0.000 1.073 1235 S CB -0.416 62.744 63.200 -0.066 0.000 1.393 1235 S HN 0.636 nan 8.310 nan 0.000 0.491 1236 G N 1.220 110.073 108.800 0.088 0.000 2.450 1236 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.220 1236 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.220 1236 G C 1.219 176.189 174.900 0.116 0.000 1.130 1236 G CA 0.886 46.054 45.100 0.114 0.000 0.760 1236 G HN 0.474 nan 8.290 nan 0.000 0.557 1237 E N -0.140 120.116 120.200 0.094 0.000 2.204 1237 E HA -0.003 4.345 4.350 -0.003 0.000 0.194 1237 E C 0.925 177.582 176.600 0.096 0.000 0.989 1237 E CA -0.073 56.373 56.400 0.078 0.000 0.824 1237 E CB -0.349 29.382 29.700 0.051 0.000 0.756 1237 E HN 0.623 nan 8.360 nan 0.000 0.477 1238 H N -0.230 118.863 119.070 0.040 0.000 3.001 1238 H HA 0.043 4.598 4.556 -0.003 0.000 0.334 1238 H C -0.457 174.890 175.328 0.032 0.000 1.034 1238 H CA 0.486 56.557 56.048 0.038 0.000 1.420 1238 H CB 0.476 30.285 29.762 0.078 0.000 1.405 1238 H HN -0.180 nan 8.280 nan 0.000 0.593 1239 T N 6.054 120.308 114.554 -0.500 0.000 2.817 1239 T HA 0.429 4.777 4.350 -0.003 0.000 0.293 1239 T C -0.367 174.135 174.700 -0.331 0.000 0.964 1239 T CA -0.166 61.734 62.100 -0.334 0.000 1.085 1239 T CB 0.219 68.881 68.868 -0.343 0.000 0.921 1239 T HN 0.540 nan 8.240 nan 0.000 0.502 1240 V N 0.919 120.776 119.914 -0.095 0.000 3.074 1240 V HA 0.660 4.779 4.120 -0.003 0.000 0.314 1240 V C -0.273 175.847 176.094 0.043 0.000 1.117 1240 V CA -1.325 60.962 62.300 -0.022 0.000 1.014 1240 V CB 1.972 33.817 31.823 0.035 0.000 1.057 1240 V HN 0.839 nan 8.190 nan 0.000 0.438 1241 E N 0.962 121.188 120.200 0.043 0.000 2.338 1241 E HA 0.545 4.894 4.350 -0.003 0.000 0.272 1241 E C -1.340 175.221 176.600 -0.064 0.000 1.029 1241 E CA -0.385 56.054 56.400 0.064 0.000 0.872 1241 E CB 1.598 31.299 29.700 0.003 0.000 1.015 1241 E HN 0.684 nan 8.360 nan 0.000 0.417 1242 V N 5.276 125.154 119.914 -0.059 0.000 2.656 1242 V HA 0.454 4.573 4.120 -0.003 0.000 0.307 1242 V C -0.313 175.722 176.094 -0.098 0.000 1.051 1242 V CA -0.943 61.307 62.300 -0.083 0.000 0.893 1242 V CB 1.870 33.697 31.823 0.007 0.000 0.999 1242 V HN 0.662 nan 8.190 nan 0.000 0.426 1243 R N 1.933 122.373 120.500 -0.101 0.000 2.514 1243 R HA 0.674 5.012 4.340 -0.003 0.000 0.301 1243 R C -0.711 175.592 176.300 0.005 0.000 0.962 1243 R CA -0.518 55.540 56.100 -0.070 0.000 0.882 1243 R CB 2.015 32.251 30.300 -0.107 0.000 1.143 1243 R HN 0.682 nan 8.270 nan 0.000 0.452 1244 T N 3.228 117.769 114.554 -0.021 0.000 2.797 1244 T HA 0.463 4.812 4.350 -0.003 0.000 0.279 1244 T C -0.346 174.333 174.700 -0.034 0.000 0.991 1244 T CA -0.639 61.448 62.100 -0.022 0.000 0.979 1244 T CB 1.683 70.526 68.868 -0.043 0.000 0.943 1244 T HN 0.332 nan 8.240 nan 0.000 0.444 1245 Q N 1.326 121.101 119.800 -0.041 0.000 2.379 1245 Q HA 0.489 4.827 4.340 -0.003 0.000 0.278 1245 Q C -1.057 174.885 176.000 -0.096 0.000 1.068 1245 Q CA -1.029 54.731 55.803 -0.072 0.000 0.816 1245 Q CB 2.581 31.275 28.738 -0.074 0.000 1.387 1245 Q HN 0.424 nan 8.270 nan 0.000 0.413 1246 V N 2.000 121.841 119.914 -0.122 0.000 2.585 1246 V HA -0.046 4.073 4.120 -0.003 0.000 0.296 1246 V C 0.257 176.286 176.094 -0.108 0.000 1.035 1246 V CA 0.149 62.369 62.300 -0.133 0.000 1.084 1246 V CB 0.690 32.408 31.823 -0.175 0.000 0.953 1246 V HN 0.715 nan 8.190 nan 0.000 0.483 1247 Q N 4.421 124.188 119.800 -0.056 0.000 2.286 1247 Q HA 0.263 4.602 4.340 -0.003 0.000 0.267 1247 Q C -0.508 175.487 176.000 -0.008 0.000 1.028 1247 Q CA 0.164 55.947 55.803 -0.032 0.000 0.901 1247 Q CB 0.481 29.250 28.738 0.051 0.000 1.183 1247 Q HN 0.780 nan 8.270 nan 0.000 0.392 1248 Q N 3.994 123.761 119.800 -0.056 0.000 2.421 1248 Q HA 0.481 4.820 4.340 -0.003 0.000 0.280 1248 Q C -2.484 173.507 176.000 -0.016 0.000 1.085 1248 Q CA -2.314 53.483 55.803 -0.009 0.000 0.807 1248 Q CB 2.112 30.825 28.738 -0.043 0.000 1.405 1248 Q HN 0.547 nan 8.270 nan 0.000 0.419 1249 P HA -0.081 nan 4.420 nan 0.000 0.268 1249 P C 0.397 177.746 177.300 0.081 0.000 1.208 1249 P CA 0.199 63.346 63.100 0.078 0.000 0.777 1249 P CB 0.606 32.380 31.700 0.124 0.000 0.875 1250 S N 0.287 116.089 115.700 0.170 0.000 2.442 1250 S HA -0.164 4.304 4.470 -0.003 0.000 0.236 1250 S C 0.992 175.868 174.600 0.460 0.000 1.007 1250 S CA 1.299 59.714 58.200 0.358 0.000 0.965 1250 S CB -0.831 62.687 63.200 0.531 0.000 0.773 1250 S HN 0.590 nan 8.310 nan 0.000 0.504 1251 D N 0.548 121.125 120.400 0.295 0.000 2.427 1251 D HA 0.244 4.882 4.640 -0.003 0.000 0.224 1251 D C -0.037 176.299 176.300 0.061 0.000 1.157 1251 D CA -0.272 53.848 54.000 0.200 0.000 0.828 1251 D CB -0.297 40.614 40.800 0.184 0.000 0.974 1251 D HN 0.544 nan 8.370 nan 0.000 0.498 1252 E N -0.450 119.774 120.200 0.039 0.000 2.317 1252 E HA 0.518 4.867 4.350 -0.003 0.000 0.270 1252 E C -1.288 175.179 176.600 -0.223 0.000 0.885 1252 E CA -0.943 55.364 56.400 -0.155 0.000 0.760 1252 E CB 1.507 31.199 29.700 -0.014 0.000 1.227 1252 E HN -0.093 nan 8.360 nan 0.000 0.434 1253 N N 2.189 120.651 118.700 -0.397 0.000 2.793 1253 N HA 0.180 4.918 4.740 -0.003 0.000 0.251 1253 N C -2.143 173.207 175.510 -0.266 0.000 1.308 1253 N CA -0.363 52.526 53.050 -0.268 0.000 0.781 1253 N CB 0.450 38.822 38.487 -0.191 0.000 1.439 1253 N HN 0.367 nan 8.380 nan 0.000 0.562 1254 W N 1.910 123.179 121.300 -0.052 0.000 2.303 1254 W HA 0.295 4.953 4.660 -0.003 0.000 0.334 1254 W C 1.050 177.563 176.519 -0.011 0.000 1.197 1254 W CA -0.388 56.945 57.345 -0.021 0.000 1.262 1254 W CB 0.591 30.038 29.460 -0.022 0.000 1.153 1254 W HN 0.370 nan 8.180 nan 0.000 0.596 1255 D N 0.722 121.293 120.400 0.285 0.000 2.414 1255 D HA -0.021 4.617 4.640 -0.003 0.000 0.259 1255 D C 1.052 177.441 176.300 0.149 0.000 1.269 1255 D CA -0.449 53.658 54.000 0.177 0.000 1.028 1255 D CB 0.429 41.321 40.800 0.153 0.000 1.093 1255 D HN 0.326 nan 8.370 nan 0.000 0.545 1256 L N 0.097 121.376 121.223 0.093 0.000 2.042 1256 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 1256 L C 2.423 179.325 176.870 0.053 0.000 1.076 1256 L CA 2.679 57.554 54.840 0.057 0.000 0.749 1256 L CB -1.084 41.000 42.059 0.042 0.000 0.893 1256 L HN 0.783 nan 8.230 nan 0.000 0.432 1257 T N -3.714 110.880 114.554 0.068 0.000 3.148 1257 T HA 0.182 4.530 4.350 -0.003 0.000 0.253 1257 T C 1.414 176.136 174.700 0.036 0.000 1.134 1257 T CA 0.339 62.469 62.100 0.049 0.000 1.051 1257 T CB -0.651 68.250 68.868 0.055 0.000 0.959 1257 T HN 0.577 nan 8.240 nan 0.000 0.525 1258 G N 1.550 110.390 108.800 0.066 0.000 2.258 1258 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.274 1258 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.274 1258 G C 0.757 175.651 174.900 -0.009 0.000 1.021 1258 G CA 1.047 46.125 45.100 -0.036 0.000 0.798 1258 G HN 1.044 nan 8.290 nan 0.000 0.507 1259 T N -4.050 110.640 114.554 0.226 0.000 2.985 1259 T HA 0.519 4.867 4.350 -0.003 0.000 0.254 1259 T C 0.827 175.777 174.700 0.416 0.000 1.021 1259 T CA 0.506 62.762 62.100 0.260 0.000 0.957 1259 T CB 0.703 69.653 68.868 0.137 0.000 1.047 1259 T HN 0.559 nan 8.240 nan 0.000 0.511 1260 R N 0.688 121.456 120.500 0.446 0.000 2.707 1260 R HA 0.505 4.844 4.340 -0.003 0.000 0.272 1260 R C -1.179 175.133 176.300 0.021 0.000 1.011 1260 R CA -0.894 55.328 56.100 0.203 0.000 0.893 1260 R CB 1.330 31.713 30.300 0.138 0.000 1.233 1260 R HN 0.076 nan 8.270 nan 0.000 0.464 1261 Q N 2.145 121.812 119.800 -0.222 0.000 2.340 1261 Q HA 0.465 4.803 4.340 -0.003 0.000 0.249 1261 Q C 0.021 175.981 176.000 -0.067 0.000 0.957 1261 Q CA -0.070 55.532 55.803 -0.336 0.000 0.882 1261 Q CB 1.281 29.775 28.738 -0.406 0.000 1.235 1261 Q HN 0.600 nan 8.270 nan 0.000 0.439 1262 I N -3.745 116.786 120.570 -0.064 0.000 3.095 1262 I HA 0.404 4.572 4.170 -0.003 0.000 0.310 1262 I C -0.331 175.780 176.117 -0.010 0.000 1.196 1262 I CA -0.999 60.377 61.300 0.126 0.000 0.985 1262 I CB 1.510 39.625 38.000 0.192 0.000 1.250 1262 I HN 0.440 nan 8.210 nan 0.000 0.446 1263 W N 0.793 122.020 121.300 -0.121 0.000 2.526 1263 W HA 0.248 4.907 4.660 -0.002 0.000 0.294 1263 W C -1.703 174.844 176.519 0.048 0.000 1.181 1263 W CA 0.831 58.077 57.345 -0.165 0.000 1.373 1263 W CB -1.099 28.133 29.460 -0.380 0.000 1.112 1263 W HN 0.249 nan 8.180 nan 0.000 0.545 1264 P HA -0.041 nan 4.420 nan 0.000 0.265 1264 P C -0.532 176.858 177.300 0.149 0.000 1.193 1264 P CA 0.335 63.586 63.100 0.251 0.000 0.765 1264 P CB 0.674 32.491 31.700 0.196 0.000 0.823 1265 C N 4.492 123.866 119.300 0.123 0.000 2.335 1265 C HA 0.325 4.783 4.460 -0.003 0.000 0.318 1265 C C 0.243 175.227 174.990 -0.009 0.000 1.150 1265 C CA -0.547 58.486 59.018 0.025 0.000 1.466 1265 C CB -1.378 26.383 27.740 0.034 0.000 2.024 1265 C HN 0.598 nan 8.230 nan 0.000 0.429 1266 E N 3.644 123.829 120.200 -0.026 0.000 2.290 1266 E HA 0.451 4.799 4.350 -0.003 0.000 0.277 1266 E C -0.400 176.169 176.600 -0.052 0.000 1.035 1266 E CA 0.216 56.599 56.400 -0.028 0.000 0.873 1266 E CB 0.732 30.417 29.700 -0.025 0.000 1.029 1266 E HN 0.807 nan 8.360 nan 0.000 0.419 1267 S N 2.249 117.920 115.700 -0.047 0.000 2.538 1267 S HA 0.317 4.786 4.470 -0.003 0.000 0.288 1267 S C -0.975 173.593 174.600 -0.053 0.000 1.108 1267 S CA -0.991 57.177 58.200 -0.053 0.000 0.971 1267 S CB 1.755 64.920 63.200 -0.058 0.000 1.041 1267 S HN 0.581 nan 8.310 nan 0.000 0.483 1268 S N 2.671 118.339 115.700 -0.055 0.000 2.585 1268 S HA 0.641 5.110 4.470 -0.003 0.000 0.277 1268 S C -0.431 174.122 174.600 -0.078 0.000 1.241 1268 S CA -0.968 57.195 58.200 -0.061 0.000 1.041 1268 S CB 0.757 63.925 63.200 -0.054 0.000 0.987 1268 S HN 0.642 nan 8.310 nan 0.000 0.512 1269 R N 1.193 121.636 120.500 -0.095 0.000 2.445 1269 R HA 0.707 5.045 4.340 -0.003 0.000 0.308 1269 R C -0.352 175.848 176.300 -0.167 0.000 0.961 1269 R CA -0.398 55.627 56.100 -0.125 0.000 0.862 1269 R CB 1.966 32.189 30.300 -0.128 0.000 1.144 1269 R HN 0.957 nan 8.270 nan 0.000 0.447 1270 S N 0.975 116.567 115.700 -0.181 0.000 2.705 1270 S HA 0.460 4.928 4.470 -0.003 0.000 0.280 1270 S C -1.064 173.414 174.600 -0.203 0.000 1.174 1270 S CA -1.043 57.021 58.200 -0.227 0.000 0.823 1270 S CB 1.527 64.658 63.200 -0.114 0.000 1.162 1270 S HN 0.716 nan 8.310 nan 0.000 0.487 1271 H N -0.782 118.267 119.070 -0.036 0.000 2.524 1271 H HA 0.801 5.355 4.556 -0.003 0.000 0.353 1271 H C -0.387 174.931 175.328 -0.017 0.000 1.136 1271 H CA -0.615 55.411 56.048 -0.036 0.000 1.193 1271 H CB 2.184 31.919 29.762 -0.043 0.000 1.558 1271 H HN 0.763 nan 8.280 nan 0.000 0.515 1272 T N 0.661 115.296 114.554 0.134 0.000 2.787 1272 T HA 0.283 4.632 4.350 -0.003 0.000 0.297 1272 T C -0.551 174.196 174.700 0.078 0.000 1.221 1272 T CA -0.722 61.437 62.100 0.097 0.000 1.006 1272 T CB 1.196 70.133 68.868 0.114 0.000 1.328 1272 T HN 0.717 nan 8.240 nan 0.000 0.509 1273 T N 0.350 114.954 114.554 0.083 0.000 2.899 1273 T HA 0.479 4.828 4.350 -0.003 0.000 0.284 1273 T C 1.836 176.628 174.700 0.153 0.000 1.004 1273 T CA -0.685 61.467 62.100 0.086 0.000 1.043 1273 T CB 0.363 69.276 68.868 0.075 0.000 1.013 1273 T HN 0.514 nan 8.240 nan 0.000 0.518 1274 I N 1.179 121.852 120.570 0.172 0.000 2.194 1274 I HA -0.199 3.970 4.170 -0.003 0.000 0.246 1274 I C 2.991 179.238 176.117 0.215 0.000 1.093 1274 I CA 1.802 63.230 61.300 0.214 0.000 1.355 1274 I CB -0.825 37.310 38.000 0.226 0.000 1.046 1274 I HN 0.892 nan 8.210 nan 0.000 0.413 1275 A N 0.528 123.446 122.820 0.164 0.000 1.902 1275 A HA -0.200 4.119 4.320 -0.003 0.000 0.217 1275 A C 2.297 179.963 177.584 0.138 0.000 1.181 1275 A CA 1.510 53.629 52.037 0.136 0.000 0.623 1275 A CB -0.324 18.736 19.000 0.099 0.000 0.818 1275 A HN 0.201 nan 8.150 nan 0.000 0.443 1276 K N -1.290 119.192 120.400 0.137 0.000 2.057 1276 K HA -0.117 4.201 4.320 -0.003 0.000 0.206 1276 K C 1.830 178.521 176.600 0.152 0.000 1.050 1276 K CA 1.543 57.905 56.287 0.124 0.000 0.935 1276 K CB -0.819 31.742 32.500 0.103 0.000 0.715 1276 K HN 0.656 nan 8.250 nan 0.000 0.439 1277 Y N 1.564 121.944 120.300 0.132 0.000 2.181 1277 Y HA -0.236 4.313 4.550 -0.003 0.000 0.288 1277 Y C 2.158 178.204 175.900 0.244 0.000 1.146 1277 Y CA 1.715 59.925 58.100 0.184 0.000 1.164 1277 Y CB -0.273 38.282 38.460 0.158 0.000 0.982 1277 Y HN 0.092 nan 8.280 nan 0.000 0.515 1278 A N -0.031 122.941 122.820 0.254 0.000 1.933 1278 A HA -0.259 4.060 4.320 -0.003 0.000 0.218 1278 A C 2.056 179.695 177.584 0.093 0.000 1.175 1278 A CA 1.930 54.081 52.037 0.190 0.000 0.628 1278 A CB -0.674 18.437 19.000 0.185 0.000 0.814 1278 A HN 0.670 nan 8.150 nan 0.000 0.444 1279 Q N -2.005 117.848 119.800 0.087 0.000 2.084 1279 Q HA -0.195 4.143 4.340 -0.003 0.000 0.202 1279 Q C 2.027 178.062 176.000 0.059 0.000 0.978 1279 Q CA 1.810 57.654 55.803 0.069 0.000 0.844 1279 Q CB -0.408 28.376 28.738 0.076 0.000 0.898 1279 Q HN 0.863 nan 8.270 nan 0.000 0.426 1280 Y N 1.359 121.600 120.300 -0.099 0.000 2.181 1280 Y HA -0.267 4.282 4.550 -0.003 0.000 0.288 1280 Y C 2.397 178.245 175.900 -0.087 0.000 1.146 1280 Y CA 1.867 59.892 58.100 -0.125 0.000 1.164 1280 Y CB -0.095 38.218 38.460 -0.245 0.000 0.982 1280 Y HN 0.073 nan 8.280 nan 0.000 0.515 1281 Q N 0.068 119.753 119.800 -0.192 0.000 2.020 1281 Q HA -0.205 4.133 4.340 -0.003 0.000 0.202 1281 Q C 2.402 178.420 176.000 0.029 0.000 0.982 1281 Q CA 1.760 57.544 55.803 -0.032 0.000 0.838 1281 Q CB -0.394 28.435 28.738 0.151 0.000 0.899 1281 Q HN 0.613 nan 8.270 nan 0.000 0.423 1282 A N -0.100 122.722 122.820 0.002 0.000 1.898 1282 A HA -0.151 4.168 4.320 -0.003 0.000 0.216 1282 A C 2.245 179.814 177.584 -0.025 0.000 1.181 1282 A CA 1.757 53.792 52.037 -0.003 0.000 0.620 1282 A CB -0.601 18.410 19.000 0.019 0.000 0.819 1282 A HN 0.410 nan 8.150 nan 0.000 0.442 1283 S N 0.540 116.212 115.700 -0.048 0.000 2.368 1283 S HA -0.163 4.306 4.470 -0.003 0.000 0.225 1283 S C 2.371 176.912 174.600 -0.099 0.000 1.030 1283 S CA 1.713 59.877 58.200 -0.059 0.000 0.999 1283 S CB -0.447 62.735 63.200 -0.030 0.000 0.844 1283 S HN 0.891 nan 8.310 nan 0.000 0.459 1284 S N 1.461 117.087 115.700 -0.124 0.000 2.382 1284 S HA -0.105 4.363 4.470 -0.003 0.000 0.228 1284 S C 1.660 176.180 174.600 -0.134 0.000 1.027 1284 S CA 0.950 59.138 58.200 -0.019 0.000 0.991 1284 S CB -0.787 62.428 63.200 0.025 0.000 0.823 1284 S HN 0.471 nan 8.310 nan 0.000 0.469 1285 F N 2.565 122.087 119.950 -0.712 0.000 2.102 1285 F HA -0.031 4.494 4.527 -0.003 0.000 0.298 1285 F C 2.659 178.034 175.800 -0.709 0.000 1.105 1285 F CA 1.718 58.861 58.000 -1.429 0.000 1.239 1285 F CB -0.669 37.538 39.000 -1.321 0.000 0.991 1285 F HN 0.177 nan 8.300 nan 0.000 0.474 1286 Q N 0.003 119.538 119.800 -0.442 0.000 2.135 1286 Q HA -0.245 4.093 4.340 -0.003 0.000 0.204 1286 Q C 1.959 177.763 176.000 -0.327 0.000 0.981 1286 Q CA 2.017 57.600 55.803 -0.365 0.000 0.856 1286 Q CB -0.369 28.273 28.738 -0.161 0.000 0.902 1286 Q HN 0.582 nan 8.270 nan 0.000 0.425 1287 E N 0.127 120.178 120.200 -0.247 0.000 2.478 1287 E HA -0.087 4.262 4.350 -0.003 0.000 0.198 1287 E C 1.546 178.047 176.600 -0.165 0.000 1.046 1287 E CA 0.833 57.138 56.400 -0.158 0.000 0.870 1287 E CB 0.144 29.799 29.700 -0.076 0.000 0.818 1287 E HN 0.237 nan 8.360 nan 0.000 0.527 1288 S N -0.298 115.233 115.700 -0.282 0.000 2.577 1288 S HA 0.127 4.595 4.470 -0.003 0.000 0.219 1288 S C 1.437 175.899 174.600 -0.229 0.000 0.962 1288 S CA -0.229 57.852 58.200 -0.199 0.000 0.921 1288 S CB 0.021 63.085 63.200 -0.226 0.000 0.789 1288 S HN 0.171 nan 8.310 nan 0.000 0.497 1289 L N 1.219 122.276 121.223 -0.277 0.000 2.591 1289 L HA 0.230 4.569 4.340 -0.003 0.000 0.228 1289 L C 1.453 178.239 176.870 -0.141 0.000 1.133 1289 L CA -0.076 54.614 54.840 -0.250 0.000 0.880 1289 L CB -0.301 41.575 42.059 -0.304 0.000 1.033 1289 L HN 0.492 nan 8.230 nan 0.000 0.450 1290 Q N 2.393 122.130 119.800 -0.105 0.000 2.349 1290 Q HA -0.076 4.262 4.340 -0.003 0.000 0.287 1290 Q C 0.063 176.034 176.000 -0.049 0.000 1.044 1290 Q CA 0.156 55.919 55.803 -0.067 0.000 0.918 1290 Q CB 0.715 29.421 28.738 -0.053 0.000 1.242 1290 Q HN 0.256 nan 8.270 nan 0.000 0.405 1291 E N 1.683 121.860 120.200 -0.038 0.000 2.413 1291 E HA 0.090 4.438 4.350 -0.003 0.000 0.263 1291 E C -0.118 176.472 176.600 -0.016 0.000 1.015 1291 E CA 0.413 56.798 56.400 -0.025 0.000 0.916 1291 E CB 0.540 30.228 29.700 -0.020 0.000 0.947 1291 E HN 0.682 nan 8.360 nan 0.000 0.440 1321 H N 0.635 119.954 119.070 0.416 0.000 2.996 1321 H HA 0.557 5.112 4.556 -0.003 0.000 0.368 1321 H C -0.863 174.623 175.328 0.263 0.000 1.185 1321 H CA -0.708 55.490 56.048 0.251 0.000 1.160 1321 H CB 2.024 31.852 29.762 0.109 0.000 1.820 1321 H HN 0.772 nan 8.280 nan 0.000 0.547 1322 I N 2.277 122.686 120.570 -0.268 0.000 2.607 1322 I HA 0.542 4.710 4.170 -0.003 0.000 0.305 1322 I C -0.853 175.018 176.117 -0.410 0.000 0.995 1322 I CA -1.068 60.089 61.300 -0.238 0.000 1.148 1322 I CB 1.725 39.674 38.000 -0.085 0.000 1.323 1322 I HN 0.450 nan 8.210 nan 0.000 0.461 1323 I N 1.230 121.701 120.570 -0.164 0.000 3.002 1323 I HA 0.667 4.835 4.170 -0.003 0.000 0.310 1323 I C -1.078 175.070 176.117 0.051 0.000 1.087 1323 I CA -0.767 60.527 61.300 -0.010 0.000 1.017 1323 I CB 1.974 39.980 38.000 0.010 0.000 1.226 1323 I HN 0.468 nan 8.210 nan 0.000 0.443 1324 K N 2.469 122.966 120.400 0.161 0.000 2.316 1324 K HA 0.568 4.886 4.320 -0.003 0.000 0.251 1324 K C -1.817 175.073 176.600 0.483 0.000 0.934 1324 K CA -0.425 55.960 56.287 0.164 0.000 0.802 1324 K CB 2.712 35.140 32.500 -0.121 0.000 1.171 1324 K HN 0.658 nan 8.250 nan 0.000 0.426 1325 F N 0.704 120.748 119.950 0.156 0.000 2.536 1325 F HA 0.454 4.980 4.527 -0.003 0.000 0.322 1325 F C -0.342 175.342 175.800 -0.194 0.000 1.144 1325 F CA -1.390 56.632 58.000 0.035 0.000 0.924 1325 F CB 1.621 40.618 39.000 -0.006 0.000 1.181 1325 F HN 0.568 nan 8.300 nan 0.000 0.438 1326 G N 4.040 112.600 108.800 -0.400 0.000 2.333 1326 G HA2 0.504 4.462 3.960 -0.003 0.000 0.290 1326 G HA3 0.504 4.462 3.960 -0.003 0.000 0.290 1326 G C -0.812 173.861 174.900 -0.378 0.000 1.150 1326 G CA -0.193 44.571 45.100 -0.560 0.000 0.895 1326 G HN 0.699 nan 8.290 nan 0.000 0.444 1327 T N 1.643 115.950 114.554 -0.413 0.000 2.908 1327 T HA 0.379 4.727 4.350 -0.003 0.000 0.290 1327 T C 0.179 174.719 174.700 -0.266 0.000 1.034 1327 T CA -0.739 61.138 62.100 -0.373 0.000 1.010 1327 T CB 1.420 69.965 68.868 -0.539 0.000 1.068 1327 T HN 0.559 nan 8.240 nan 0.000 0.481 1328 N N 0.546 119.051 118.700 -0.325 0.000 2.740 1328 N HA -0.139 4.599 4.740 -0.003 0.000 0.248 1328 N C -0.637 174.724 175.510 -0.249 0.000 1.062 1328 N CA 0.328 53.217 53.050 -0.270 0.000 0.704 1328 N CB -1.486 36.938 38.487 -0.106 0.000 0.968 1328 N HN 0.659 nan 8.380 nan 0.000 0.547 1329 I N 0.629 120.994 120.570 -0.341 0.000 2.436 1329 I HA 0.007 4.175 4.170 -0.003 0.000 0.289 1329 I C 0.809 176.776 176.117 -0.251 0.000 1.083 1329 I CA -0.121 61.047 61.300 -0.220 0.000 1.372 1329 I CB 0.430 38.307 38.000 -0.205 0.000 1.408 1329 I HN -0.039 nan 8.210 nan 0.000 0.516 1330 D N 7.550 127.856 120.400 -0.157 0.000 2.316 1330 D HA 0.186 4.824 4.640 -0.003 0.000 0.245 1330 D C 0.371 176.495 176.300 -0.294 0.000 1.171 1330 D CA -0.009 53.898 54.000 -0.155 0.000 0.856 1330 D CB 0.995 41.772 40.800 -0.039 0.000 1.090 1330 D HN 0.418 nan 8.370 nan 0.000 0.476 1331 L N 2.795 123.766 121.223 -0.420 0.000 2.741 1331 L HA 0.106 4.444 4.340 -0.003 0.000 0.237 1331 L C 1.623 178.340 176.870 -0.256 0.000 1.178 1331 L CA -0.119 54.258 54.840 -0.770 0.000 0.973 1331 L CB 0.093 41.711 42.059 -0.735 0.000 1.255 1331 L HN 0.245 nan 8.230 nan 0.000 0.498 1332 S N -1.023 114.637 115.700 -0.066 0.000 2.453 1332 S HA -0.080 4.388 4.470 -0.003 0.000 0.231 1332 S C 0.734 175.394 174.600 0.101 0.000 1.005 1332 S CA 0.433 58.644 58.200 0.018 0.000 0.949 1332 S CB -0.171 63.038 63.200 0.015 0.000 0.774 1332 S HN 0.382 nan 8.310 nan 0.000 0.510 1333 D N 1.465 121.990 120.400 0.209 0.000 2.336 1333 D HA 0.437 5.075 4.640 -0.003 0.000 0.249 1333 D C 0.826 177.230 176.300 0.173 0.000 1.213 1333 D CA -0.160 53.944 54.000 0.173 0.000 0.870 1333 D CB 1.062 41.950 40.800 0.147 0.000 1.076 1333 D HN 0.081 nan 8.370 nan 0.000 0.483 1334 A N 5.175 128.053 122.820 0.097 0.000 2.125 1334 A HA -0.165 4.154 4.320 -0.003 0.000 0.219 1334 A C 1.947 179.537 177.584 0.011 0.000 1.156 1334 A CA 0.967 53.042 52.037 0.063 0.000 0.671 1334 A CB -0.191 18.832 19.000 0.040 0.000 0.794 1334 A HN 0.422 nan 8.150 nan 0.000 0.459 1335 K N -0.238 120.155 120.400 -0.010 0.000 2.148 1335 K HA -0.015 4.304 4.320 -0.003 0.000 0.204 1335 K C 1.877 178.387 176.600 -0.150 0.000 1.050 1335 K CA 1.250 57.501 56.287 -0.061 0.000 0.942 1335 K CB -0.200 32.272 32.500 -0.047 0.000 0.724 1335 K HN 0.555 nan 8.250 nan 0.000 0.446 1336 R N -2.029 118.329 120.500 -0.236 0.000 2.195 1336 R HA 0.077 4.415 4.340 -0.003 0.000 0.197 1336 R C 0.653 176.535 176.300 -0.697 0.000 0.990 1336 R CA 0.385 56.132 56.100 -0.590 0.000 1.048 1336 R CB 0.341 30.099 30.300 -0.903 0.000 0.997 1336 R HN 0.134 nan 8.270 nan 0.000 0.502 1337 W N 0.187 121.445 121.300 -0.070 0.000 2.300 1337 W HA 0.352 5.010 4.660 -0.003 0.000 0.366 1337 W C 1.139 177.610 176.519 -0.079 0.000 0.913 1337 W CA -0.770 56.526 57.345 -0.082 0.000 2.200 1337 W CB 0.590 30.008 29.460 -0.070 0.000 1.182 1337 W HN -0.083 nan 8.180 nan 0.000 0.586 1338 K N 1.433 121.874 120.400 0.070 0.000 2.032 1338 K HA -0.168 4.150 4.320 -0.003 0.000 0.209 1338 K C -0.800 175.814 176.600 0.024 0.000 1.048 1338 K CA 1.740 58.049 56.287 0.037 0.000 0.927 1338 K CB -0.693 31.804 32.500 -0.004 0.000 0.712 1338 K HN 0.029 nan 8.250 nan 0.000 0.441 1339 P HA -0.115 nan 4.420 nan 0.000 0.217 1339 P C 0.848 178.119 177.300 -0.048 0.000 1.150 1339 P CA 1.250 64.335 63.100 -0.025 0.000 0.832 1339 P CB 0.085 31.759 31.700 -0.044 0.000 0.787 1340 Q N -0.485 119.274 119.800 -0.069 0.000 2.020 1340 Q HA -0.094 4.244 4.340 -0.003 0.000 0.202 1340 Q C 2.225 178.256 176.000 0.052 0.000 0.982 1340 Q CA 1.430 57.115 55.803 -0.197 0.000 0.838 1340 Q CB -1.388 27.188 28.738 -0.270 0.000 0.899 1340 Q HN 0.225 nan 8.270 nan 0.000 0.423 1341 L N 0.146 121.403 121.223 0.056 0.000 2.083 1341 L HA -0.236 4.102 4.340 -0.003 0.000 0.209 1341 L C 2.414 179.280 176.870 -0.007 0.000 1.083 1341 L CA 1.258 56.106 54.840 0.015 0.000 0.752 1341 L CB -0.446 41.620 42.059 0.011 0.000 0.899 1341 L HN 0.319 nan 8.230 nan 0.000 0.433 1342 Q N -0.361 119.443 119.800 0.007 0.000 2.124 1342 Q HA -0.260 4.078 4.340 -0.003 0.000 0.202 1342 Q C 2.132 178.143 176.000 0.017 0.000 0.977 1342 Q CA 1.496 57.301 55.803 0.003 0.000 0.850 1342 Q CB -0.045 28.694 28.738 0.003 0.000 0.901 1342 Q HN 0.329 nan 8.270 nan 0.000 0.429 1343 E N 0.845 121.073 120.200 0.046 0.000 2.077 1343 E HA -0.123 4.225 4.350 -0.003 0.000 0.193 1343 E C 1.720 178.366 176.600 0.076 0.000 0.989 1343 E CA 0.913 57.368 56.400 0.091 0.000 0.800 1343 E CB -0.118 29.684 29.700 0.170 0.000 0.746 1343 E HN 0.295 nan 8.360 nan 0.000 0.452 1344 L N -0.017 121.226 121.223 0.033 0.000 2.275 1344 L HA -0.096 4.242 4.340 -0.003 0.000 0.215 1344 L C 2.078 178.868 176.870 -0.133 0.000 1.119 1344 L CA 0.498 55.261 54.840 -0.129 0.000 0.790 1344 L CB -0.328 41.508 42.059 -0.372 0.000 0.919 1344 L HN 0.194 nan 8.230 nan 0.000 0.443 1345 L N -0.314 120.865 121.223 -0.073 0.000 2.456 1345 L HA -0.149 4.189 4.340 -0.003 0.000 0.224 1345 L C 2.168 179.044 176.870 0.010 0.000 1.148 1345 L CA 0.859 55.673 54.840 -0.045 0.000 0.825 1345 L CB -0.365 41.678 42.059 -0.026 0.000 0.937 1345 L HN 0.249 nan 8.230 nan 0.000 0.450 1346 K N -0.030 120.390 120.400 0.034 0.000 2.366 1346 K HA 0.064 4.382 4.320 -0.003 0.000 0.198 1346 K C 0.668 177.349 176.600 0.134 0.000 1.044 1346 K CA 0.212 56.554 56.287 0.092 0.000 0.973 1346 K CB 0.117 32.671 32.500 0.090 0.000 0.767 1346 K HN 0.232 nan 8.250 nan 0.000 0.475 1347 L N 2.168 123.416 121.223 0.041 0.000 2.464 1347 L HA 0.107 4.445 4.340 -0.003 0.000 0.264 1347 L C -2.134 174.674 176.870 -0.103 0.000 1.199 1347 L CA -2.200 52.608 54.840 -0.053 0.000 0.818 1347 L CB -0.063 41.975 42.059 -0.034 0.000 1.102 1347 L HN -0.153 nan 8.230 nan 0.000 0.473 1348 P HA -0.064 nan 4.420 nan 0.000 0.265 1348 P C -0.032 177.097 177.300 -0.285 0.000 1.187 1348 P CA 0.102 62.897 63.100 -0.508 0.000 0.766 1348 P CB 0.629 31.728 31.700 -1.003 0.000 0.820 1349 A N 3.555 126.365 122.820 -0.016 0.000 1.978 1349 A HA -0.216 4.103 4.320 -0.003 0.000 0.220 1349 A C 1.693 179.312 177.584 0.057 0.000 1.170 1349 A CA 1.822 53.887 52.037 0.047 0.000 0.636 1349 A CB -1.655 17.414 19.000 0.115 0.000 0.810 1349 A HN 0.714 nan 8.150 nan 0.000 0.448 1350 F N -2.112 117.862 119.950 0.041 0.000 2.502 1350 F HA 0.177 4.702 4.527 -0.003 0.000 0.298 1350 F C 1.593 177.518 175.800 0.208 0.000 1.111 1350 F CA 0.907 58.950 58.000 0.071 0.000 1.445 1350 F CB -0.388 38.610 39.000 -0.004 0.000 1.081 1350 F HN 0.083 nan 8.300 nan 0.000 0.558 1351 M N -0.007 119.442 119.600 -0.252 0.000 2.356 1351 M HA 0.214 4.692 4.480 -0.003 0.000 0.262 1351 M C 0.451 176.897 176.300 0.243 0.000 1.097 1351 M CA -0.003 55.317 55.300 0.034 0.000 0.991 1351 M CB 0.341 32.856 32.600 -0.142 0.000 1.450 1351 M HN -0.048 nan 8.290 nan 0.000 0.495 1352 R N 0.971 121.540 120.500 0.115 0.000 2.410 1352 R HA 0.197 4.535 4.340 -0.003 0.000 0.288 1352 R C 1.141 177.455 176.300 0.023 0.000 1.051 1352 R CA -0.183 55.948 56.100 0.052 0.000 1.021 1352 R CB 1.530 31.816 30.300 -0.023 0.000 1.032 1352 R HN 0.039 nan 8.270 nan 0.000 0.481 1353 V N 3.039 122.765 119.914 -0.313 0.000 2.392 1353 V HA -0.197 3.921 4.120 -0.003 0.000 0.249 1353 V C 1.478 177.494 176.094 -0.129 0.000 1.059 1353 V CA 2.672 64.758 62.300 -0.357 0.000 1.051 1353 V CB -0.212 31.189 31.823 -0.704 0.000 0.658 1353 V HN 1.021 nan 8.190 nan 0.000 0.455 1354 T N -3.076 111.408 114.554 -0.117 0.000 3.163 1354 T HA 0.278 4.626 4.350 -0.003 0.000 0.252 1354 T C 0.976 175.658 174.700 -0.031 0.000 1.056 1354 T CA 0.828 62.890 62.100 -0.063 0.000 0.947 1354 T CB 0.056 68.888 68.868 -0.060 0.000 1.016 1354 T HN 0.697 nan 8.240 nan 0.000 0.554 1355 S N 1.968 117.659 115.700 -0.014 0.000 3.949 1355 S HA -0.306 4.162 4.470 -0.003 0.000 0.626 1355 S C 1.574 176.184 174.600 0.018 0.000 2.168 1355 S CA 2.337 60.542 58.200 0.009 0.000 4.124 1355 S CB -1.680 61.516 63.200 -0.006 0.000 0.220 1355 S HN 1.101 nan 8.310 nan 0.000 0.750 1356 T N 0.872 115.439 114.554 0.021 0.000 3.118 1356 T HA 0.419 4.768 4.350 -0.003 0.000 0.260 1356 T C 1.022 175.733 174.700 0.018 0.000 1.139 1356 T CA 0.988 63.106 62.100 0.030 0.000 1.085 1356 T CB -0.726 68.162 68.868 0.033 0.000 0.934 1356 T HN 1.171 nan 8.240 nan 0.000 0.518 1357 G N 2.035 110.837 108.800 0.003 0.000 2.539 1357 G HA2 0.392 4.350 3.960 -0.003 0.000 0.258 1357 G HA3 0.392 4.350 3.960 -0.003 0.000 0.258 1357 G C 0.367 175.266 174.900 -0.002 0.000 1.202 1357 G CA -0.656 44.443 45.100 -0.002 0.000 0.851 1357 G HN 0.454 nan 8.290 nan 0.000 0.556 1358 N N -0.244 118.457 118.700 0.001 0.000 2.299 1358 N HA 0.141 4.879 4.740 -0.003 0.000 0.246 1358 N C -0.112 175.397 175.510 -0.001 0.000 1.254 1358 N CA -0.248 52.801 53.050 -0.001 0.000 0.879 1358 N CB 0.359 38.849 38.487 0.006 0.000 1.214 1358 N HN 0.364 nan 8.380 nan 0.000 0.510 1359 M N 0.160 119.761 119.600 0.002 0.000 2.664 1359 M HA 0.437 4.916 4.480 -0.003 0.000 0.314 1359 M C 0.229 176.535 176.300 0.009 0.000 1.200 1359 M CA -0.646 54.660 55.300 0.011 0.000 0.916 1359 M CB 2.763 35.380 32.600 0.029 0.000 1.717 1359 M HN -0.114 nan 8.290 nan 0.000 0.470 1360 L N 0.237 121.470 121.223 0.015 0.000 2.858 1360 L HA 0.286 4.624 4.340 -0.003 0.000 0.251 1360 L C -0.019 176.875 176.870 0.040 0.000 1.149 1360 L CA -0.143 54.708 54.840 0.018 0.000 0.955 1360 L CB 0.390 42.456 42.059 0.011 0.000 1.289 1360 L HN 0.744 nan 8.230 nan 0.000 0.542 1361 S N -1.997 113.735 115.700 0.054 0.000 2.569 1361 S HA 0.466 4.934 4.470 -0.003 0.000 0.280 1361 S C -1.146 173.536 174.600 0.137 0.000 1.111 1361 S CA -0.640 57.606 58.200 0.077 0.000 0.887 1361 S CB 2.274 65.494 63.200 0.032 0.000 1.095 1361 S HN 0.163 nan 8.310 nan 0.000 0.476 1362 H N 1.732 120.822 119.070 0.034 0.000 2.924 1362 H HA 0.369 4.923 4.556 -0.003 0.000 0.333 1362 H C 0.401 175.751 175.328 0.037 0.000 0.979 1362 H CA -0.193 55.878 56.048 0.038 0.000 1.326 1362 H CB 1.553 31.349 29.762 0.056 0.000 1.600 1362 H HN 1.503 nan 8.280 nan 0.000 0.520 1363 V N 2.097 121.823 119.914 -0.313 0.000 5.175 1363 V HA -0.302 3.816 4.120 -0.003 0.000 0.279 1363 V C 0.869 176.802 176.094 -0.267 0.000 0.571 1363 V CA 1.653 63.777 62.300 -0.294 0.000 0.694 1363 V CB -2.446 29.152 31.823 -0.376 0.000 0.525 1363 V HN 1.348 nan 8.190 nan 0.000 1.093 1364 G N -0.946 107.726 108.800 -0.214 0.000 2.136 1364 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.242 1364 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.242 1364 G C -0.115 174.541 174.900 -0.406 0.000 0.989 1364 G CA 0.654 45.583 45.100 -0.285 0.000 0.682 1364 G HN 1.721 nan 8.290 nan 0.000 0.522 1365 H N -0.048 119.023 119.070 0.001 0.000 2.637 1365 H HA 0.592 5.146 4.556 -0.003 0.000 0.363 1365 H C 0.701 176.056 175.328 0.046 0.000 1.131 1365 H CA -0.214 55.849 56.048 0.024 0.000 1.183 1365 H CB 1.411 31.195 29.762 0.036 0.000 1.637 1365 H HN 0.319 nan 8.280 nan 0.000 0.531 1366 T N -0.104 114.550 114.554 0.166 0.000 2.906 1366 T HA 0.067 4.416 4.350 -0.003 0.000 0.320 1366 T C 1.321 176.086 174.700 0.109 0.000 1.088 1366 T CA -0.071 62.093 62.100 0.106 0.000 1.120 1366 T CB 0.457 69.371 68.868 0.078 0.000 1.000 1366 T HN 0.688 nan 8.240 nan 0.000 0.550 1367 I N -0.852 119.764 120.570 0.077 0.000 4.032 1367 I HA 0.365 4.534 4.170 -0.003 0.000 0.313 1367 I C 0.373 176.509 176.117 0.031 0.000 1.272 1367 I CA -0.426 60.908 61.300 0.056 0.000 1.307 1367 I CB 0.032 38.056 38.000 0.040 0.000 1.155 1367 I HN 0.427 nan 8.210 nan 0.000 0.431 1368 L N 3.298 124.537 121.223 0.027 0.000 2.416 1368 L HA 0.387 4.726 4.340 -0.003 0.000 0.272 1368 L C 1.005 177.892 176.870 0.029 0.000 1.161 1368 L CA -0.149 54.703 54.840 0.019 0.000 0.845 1368 L CB 0.214 42.278 42.059 0.008 0.000 1.119 1368 L HN 0.275 nan 8.230 nan 0.000 0.464 1369 G N 3.113 111.931 108.800 0.029 0.000 2.634 1369 G HA2 0.358 4.316 3.960 -0.003 0.000 0.255 1369 G HA3 0.358 4.316 3.960 -0.003 0.000 0.255 1369 G C 0.043 174.963 174.900 0.033 0.000 1.205 1369 G CA -0.821 44.298 45.100 0.032 0.000 0.884 1369 G HN 0.525 nan 8.290 nan 0.000 0.549 1370 M N 1.082 120.701 119.600 0.033 0.000 2.250 1370 M HA -0.027 4.452 4.480 -0.003 0.000 0.337 1370 M C 0.581 176.899 176.300 0.029 0.000 1.161 1370 M CA 0.427 55.746 55.300 0.031 0.000 1.088 1370 M CB 0.177 32.795 32.600 0.031 0.000 1.639 1370 M HN 0.655 nan 8.290 nan 0.000 0.447 1371 N N 0.346 119.058 118.700 0.020 0.000 2.741 1371 N HA -0.159 4.580 4.740 -0.003 0.000 0.250 1371 N C 0.429 175.963 175.510 0.040 0.000 1.115 1371 N CA 1.190 54.250 53.050 0.016 0.000 0.724 1371 N CB -1.436 37.061 38.487 0.017 0.000 1.090 1371 N HN 0.760 nan 8.380 nan 0.000 0.558 1372 T N -0.773 113.805 114.554 0.041 0.000 2.770 1372 T HA 0.022 4.371 4.350 -0.003 0.000 0.263 1372 T C 1.063 175.823 174.700 0.099 0.000 1.039 1372 T CA 0.917 63.057 62.100 0.067 0.000 1.142 1372 T CB 0.456 69.347 68.868 0.038 0.000 0.868 1372 T HN 0.086 nan 8.240 nan 0.000 0.435 1373 V N 2.772 122.711 119.914 0.041 0.000 2.417 1373 V HA 0.415 4.534 4.120 -0.003 0.000 0.291 1373 V C -0.599 175.486 176.094 -0.015 0.000 1.024 1373 V CA -0.835 61.501 62.300 0.061 0.000 0.861 1373 V CB 1.689 33.486 31.823 -0.044 0.000 0.985 1373 V HN 0.253 nan 8.190 nan 0.000 0.436 1374 Q N 4.074 123.881 119.800 0.012 0.000 2.365 1374 Q HA 0.648 4.987 4.340 -0.003 0.000 0.269 1374 Q C -1.041 174.775 176.000 -0.306 0.000 1.061 1374 Q CA -0.567 55.124 55.803 -0.188 0.000 0.816 1374 Q CB 3.315 31.964 28.738 -0.149 0.000 1.325 1374 Q HN 0.723 nan 8.270 nan 0.000 0.446 1375 L N 1.871 122.784 121.223 -0.517 0.000 2.354 1375 L HA 0.579 4.917 4.340 -0.003 0.000 0.269 1375 L C -1.699 174.747 176.870 -0.705 0.000 1.005 1375 L CA -0.788 53.805 54.840 -0.412 0.000 0.819 1375 L CB 1.414 43.354 42.059 -0.198 0.000 1.311 1375 L HN 0.517 nan 8.230 nan 0.000 0.423 1376 Y N 4.201 124.537 120.300 0.060 0.000 2.338 1376 Y HA 0.497 5.045 4.550 -0.003 0.000 0.333 1376 Y C -0.359 175.640 175.900 0.165 0.000 0.968 1376 Y CA -0.655 57.529 58.100 0.141 0.000 1.123 1376 Y CB 1.885 40.505 38.460 0.267 0.000 1.165 1376 Y HN 0.371 nan 8.280 nan 0.000 0.452 1377 M N 4.909 124.643 119.600 0.223 0.000 2.088 1377 M HA 0.452 4.930 4.480 -0.003 0.000 0.346 1377 M C -0.812 175.658 176.300 0.283 0.000 1.111 1377 M CA -0.269 55.145 55.300 0.190 0.000 1.017 1377 M CB 1.103 33.735 32.600 0.053 0.000 1.568 1377 M HN 0.581 nan 8.290 nan 0.000 0.445 1378 K N 2.002 122.562 120.400 0.268 0.000 2.400 1378 K HA 0.842 5.160 4.320 -0.003 0.000 0.246 1378 K C -0.929 175.729 176.600 0.097 0.000 0.995 1378 K CA -0.988 55.366 56.287 0.112 0.000 0.840 1378 K CB 2.783 35.181 32.500 -0.171 0.000 1.293 1378 K HN 0.534 nan 8.250 nan 0.000 0.445 1379 V N -2.286 117.581 119.914 -0.079 0.000 3.126 1379 V HA 0.572 4.691 4.120 -0.003 0.000 0.314 1379 V C -2.861 172.919 176.094 -0.523 0.000 1.138 1379 V CA -3.114 58.897 62.300 -0.481 0.000 1.034 1379 V CB 1.597 33.265 31.823 -0.258 0.000 1.075 1379 V HN 0.503 nan 8.190 nan 0.000 0.442 1380 P HA 0.341 nan 4.420 nan 0.000 0.262 1380 P C 0.910 178.040 177.300 -0.284 0.000 1.182 1380 P CA 2.021 64.831 63.100 -0.483 0.000 0.761 1380 P CB 0.636 32.006 31.700 -0.549 0.000 0.795 1381 G N 1.876 110.540 108.800 -0.226 0.000 2.232 1381 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.226 1381 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.226 1381 G C 0.296 175.046 174.900 -0.250 0.000 0.996 1381 G CA -0.220 44.764 45.100 -0.193 0.000 0.626 1381 G HN 0.543 nan 8.290 nan 0.000 0.509 1382 S N 1.638 117.146 115.700 -0.320 0.000 2.515 1382 S HA 0.455 4.923 4.470 -0.003 0.000 0.285 1382 S C 0.594 174.881 174.600 -0.522 0.000 1.265 1382 S CA 0.181 58.088 58.200 -0.489 0.000 1.079 1382 S CB 0.703 63.384 63.200 -0.865 0.000 0.877 1382 S HN 0.504 nan 8.310 nan 0.000 0.493 1383 R N 1.917 122.230 120.500 -0.313 0.000 2.514 1383 R HA 0.392 4.731 4.340 -0.003 0.000 0.301 1383 R C -0.618 175.738 176.300 0.094 0.000 0.962 1383 R CA -0.466 55.530 56.100 -0.174 0.000 0.882 1383 R CB 1.535 31.610 30.300 -0.375 0.000 1.143 1383 R HN 0.416 nan 8.270 nan 0.000 0.452 1384 T N 5.671 120.296 114.554 0.119 0.000 2.770 1384 T HA 0.279 4.627 4.350 -0.003 0.000 0.297 1384 T C -2.218 172.567 174.700 0.142 0.000 0.997 1384 T CA -1.520 60.636 62.100 0.095 0.000 0.949 1384 T CB 1.254 70.094 68.868 -0.047 0.000 0.941 1384 T HN 0.342 nan 8.240 nan 0.000 0.457 1385 P HA 0.258 nan 4.420 nan 0.000 0.275 1385 P C 0.436 177.530 177.300 -0.345 0.000 1.266 1385 P CA -0.401 62.664 63.100 -0.058 0.000 0.793 1385 P CB 0.497 32.082 31.700 -0.191 0.000 1.074 1386 G N 0.620 108.903 108.800 -0.863 0.000 2.398 1386 G HA2 0.439 4.397 3.960 -0.003 0.000 0.246 1386 G HA3 0.439 4.397 3.960 -0.003 0.000 0.246 1386 G C -0.147 174.131 174.900 -1.036 0.000 1.289 1386 G CA 0.080 44.536 45.100 -1.074 0.000 0.869 1386 G HN 0.880 nan 8.290 nan 0.000 0.543 1387 H N -0.577 118.125 119.070 -0.613 0.000 2.967 1387 H HA 0.389 4.943 4.556 -0.003 0.000 0.318 1387 H C -1.282 173.940 175.328 -0.177 0.000 1.375 1387 H CA -0.894 54.910 56.048 -0.406 0.000 1.132 1387 H CB 0.771 30.287 29.762 -0.410 0.000 1.848 1387 H HN 0.457 nan 8.280 nan 0.000 0.524 1388 Q N 0.543 120.312 119.800 -0.050 0.000 2.257 1388 Q HA 0.265 4.604 4.340 -0.003 0.000 0.262 1388 Q C -0.378 175.678 176.000 0.094 0.000 0.997 1388 Q CA -1.146 54.670 55.803 0.021 0.000 0.873 1388 Q CB 2.057 30.828 28.738 0.056 0.000 1.312 1388 Q HN 0.425 nan 8.270 nan 0.000 0.450 1389 E N 1.565 121.844 120.200 0.131 0.000 2.392 1389 E HA 0.008 4.356 4.350 -0.003 0.000 0.264 1389 E C -0.339 176.294 176.600 0.055 0.000 1.024 1389 E CA 0.006 56.493 56.400 0.146 0.000 0.903 1389 E CB 0.416 30.176 29.700 0.100 0.000 0.963 1389 E HN 0.381 nan 8.360 nan 0.000 0.432 1390 N N 2.406 121.127 118.700 0.035 0.000 2.453 1390 N HA -0.057 4.681 4.740 -0.003 0.000 0.253 1390 N C 0.107 175.502 175.510 -0.191 0.000 1.252 1390 N CA 0.253 53.265 53.050 -0.062 0.000 0.917 1390 N CB 0.235 38.687 38.487 -0.057 0.000 1.117 1390 N HN 0.360 nan 8.380 nan 0.000 0.442 1391 N N 1.443 119.982 118.700 -0.268 0.000 2.778 1391 N HA -0.275 4.463 4.740 -0.003 0.000 0.249 1391 N C -0.830 174.444 175.510 -0.394 0.000 1.069 1391 N CA 0.802 53.574 53.050 -0.462 0.000 0.831 1391 N CB -1.338 36.579 38.487 -0.951 0.000 1.142 1391 N HN 0.742 nan 8.380 nan 0.000 0.573 1392 N N -1.029 117.570 118.700 -0.168 0.000 2.754 1392 N HA -0.190 4.548 4.740 -0.003 0.000 0.248 1392 N C -0.943 174.652 175.510 0.142 0.000 1.093 1392 N CA 0.980 54.016 53.050 -0.024 0.000 0.699 1392 N CB -1.145 37.333 38.487 -0.014 0.000 1.016 1392 N HN 0.236 nan 8.380 nan 0.000 0.552 1393 F N 0.499 120.441 119.950 -0.014 0.000 2.377 1393 F HA 0.326 4.851 4.527 -0.002 0.000 0.328 1393 F C 1.494 177.244 175.800 -0.084 0.000 1.094 1393 F CA -1.272 56.710 58.000 -0.031 0.000 1.093 1393 F CB 0.695 39.679 39.000 -0.027 0.000 1.214 1393 F HN -0.069 nan 8.300 nan 0.000 0.518 1394 C N 1.494 120.819 119.300 0.042 0.000 2.595 1394 C HA 0.612 5.071 4.460 -0.003 0.000 0.384 1394 C C 0.433 175.211 174.990 -0.354 0.000 1.289 1394 C CA -0.456 58.411 59.018 -0.252 0.000 2.372 1394 C CB 0.325 27.810 27.740 -0.426 0.000 2.593 1394 C HN 0.856 nan 8.230 nan 0.000 0.639 1395 S N 0.254 115.633 115.700 -0.534 0.000 2.651 1395 S HA 0.851 5.319 4.470 -0.003 0.000 0.279 1395 S C -0.950 173.226 174.600 -0.707 0.000 1.148 1395 S CA -0.597 57.296 58.200 -0.512 0.000 0.837 1395 S CB 1.202 64.251 63.200 -0.251 0.000 1.138 1395 S HN 1.388 nan 8.310 nan 0.000 0.478 1396 V N -0.385 119.074 119.914 -0.758 0.000 2.823 1396 V HA 0.783 4.902 4.120 -0.003 0.000 0.312 1396 V C -0.997 174.683 176.094 -0.691 0.000 1.072 1396 V CA -0.708 61.156 62.300 -0.728 0.000 0.937 1396 V CB 1.768 33.107 31.823 -0.807 0.000 1.013 1396 V HN 1.046 nan 8.190 nan 0.000 0.430 1397 N N 2.649 121.112 118.700 -0.395 0.000 2.371 1397 N HA 0.565 5.303 4.740 -0.003 0.000 0.291 1397 N C -1.693 173.745 175.510 -0.120 0.000 1.053 1397 N CA -0.415 52.531 53.050 -0.175 0.000 0.870 1397 N CB 2.185 40.768 38.487 0.161 0.000 1.503 1397 N HN 0.878 nan 8.380 nan 0.000 0.485 1398 I N 2.112 122.631 120.570 -0.085 0.000 2.433 1398 I HA 0.249 4.417 4.170 -0.003 0.000 0.292 1398 I C 0.071 176.212 176.117 0.039 0.000 1.001 1398 I CA -0.939 60.345 61.300 -0.027 0.000 1.119 1398 I CB 1.677 39.655 38.000 -0.036 0.000 1.289 1398 I HN 0.429 nan 8.210 nan 0.000 0.438 1399 N N 6.260 125.002 118.700 0.071 0.000 2.444 1399 N HA 0.267 5.005 4.740 -0.003 0.000 0.271 1399 N C 0.428 175.985 175.510 0.077 0.000 1.069 1399 N CA -0.251 52.859 53.050 0.099 0.000 0.965 1399 N CB 1.147 39.710 38.487 0.127 0.000 1.092 1399 N HN 0.469 nan 8.380 nan 0.000 0.476 1400 I N 1.623 122.245 120.570 0.087 0.000 3.030 1400 I HA 0.204 4.373 4.170 -0.003 0.000 0.270 1400 I C 1.473 177.648 176.117 0.097 0.000 1.211 1400 I CA 0.813 62.172 61.300 0.097 0.000 1.479 1400 I CB -1.796 36.281 38.000 0.129 0.000 1.105 1400 I HN 0.758 nan 8.210 nan 0.000 0.447 1401 G N 2.572 111.430 108.800 0.096 0.000 2.725 1401 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.220 1401 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.220 1401 G C -1.905 173.040 174.900 0.074 0.000 1.357 1401 G CA -0.051 45.103 45.100 0.089 0.000 0.866 1401 G HN 0.085 nan 8.290 nan 0.000 0.548 1402 P HA 0.145 nan 4.420 nan 0.000 0.225 1402 P C 1.333 178.705 177.300 0.120 0.000 1.156 1402 P CA 1.731 64.876 63.100 0.074 0.000 0.787 1402 P CB -0.034 31.694 31.700 0.047 0.000 0.802 1403 G N 0.124 109.013 108.800 0.148 0.000 2.580 1403 G HA2 0.254 4.212 3.960 -0.003 0.000 0.278 1403 G HA3 0.254 4.212 3.960 -0.003 0.000 0.278 1403 G C -0.662 174.305 174.900 0.113 0.000 1.212 1403 G CA -0.277 44.921 45.100 0.163 0.000 0.939 1403 G HN -0.049 nan 8.290 nan 0.000 0.513 1404 D N -1.709 118.748 120.400 0.096 0.000 2.326 1404 D HA 0.476 5.114 4.640 -0.003 0.000 0.251 1404 D C -0.502 175.837 176.300 0.065 0.000 1.023 1404 D CA -0.084 53.968 54.000 0.086 0.000 0.966 1404 D CB 1.715 42.561 40.800 0.077 0.000 1.156 1404 D HN 0.269 nan 8.370 nan 0.000 0.494 1405 C N 0.510 119.872 119.300 0.104 0.000 2.382 1405 C HA 0.388 4.846 4.460 -0.003 0.000 0.327 1405 C C 0.287 175.342 174.990 0.109 0.000 1.250 1405 C CA -0.701 58.368 59.018 0.084 0.000 1.707 1405 C CB 0.976 28.808 27.740 0.153 0.000 2.272 1405 C HN 0.525 nan 8.230 nan 0.000 0.506 1406 E N 1.540 121.731 120.200 -0.014 0.000 2.174 1406 E HA 0.372 4.721 4.350 -0.003 0.000 0.282 1406 E C -1.562 174.882 176.600 -0.259 0.000 0.992 1406 E CA -0.301 56.029 56.400 -0.117 0.000 0.803 1406 E CB 0.766 30.406 29.700 -0.099 0.000 1.090 1406 E HN 0.644 nan 8.360 nan 0.000 0.396 1407 W N 3.914 124.714 121.300 -0.832 0.000 2.689 1407 W HA 0.485 5.143 4.660 -0.003 0.000 0.340 1407 W C -0.969 174.873 176.519 -1.128 0.000 1.060 1407 W CA -0.380 56.410 57.345 -0.926 0.000 1.218 1407 W CB 1.111 29.658 29.460 -1.522 0.000 1.410 1407 W HN 0.386 nan 8.180 nan 0.000 0.528 1408 F N 1.700 121.272 119.950 -0.629 0.000 2.565 1408 F HA 0.803 5.328 4.527 -0.003 0.000 0.313 1408 F C 0.164 175.494 175.800 -0.783 0.000 1.091 1408 F CA -1.310 56.153 58.000 -0.895 0.000 0.915 1408 F CB 1.651 39.484 39.000 -1.944 0.000 1.208 1408 F HN 0.357 nan 8.300 nan 0.000 0.453 1409 A N 1.615 124.326 122.820 -0.182 0.000 2.574 1409 A HA 0.894 5.212 4.320 -0.003 0.000 0.297 1409 A C -2.007 175.770 177.584 0.322 0.000 1.062 1409 A CA -0.757 51.332 52.037 0.086 0.000 0.686 1409 A CB 1.690 20.824 19.000 0.223 0.000 1.285 1409 A HN 0.546 nan 8.150 nan 0.000 0.403 1410 V N 2.532 122.697 119.914 0.418 0.000 2.789 1410 V HA 0.357 4.475 4.120 -0.003 0.000 0.311 1410 V C -0.122 176.304 176.094 0.553 0.000 1.073 1410 V CA -0.754 61.871 62.300 0.543 0.000 0.921 1410 V CB 1.827 33.989 31.823 0.566 0.000 1.009 1410 V HN 1.005 nan 8.190 nan 0.000 0.426 1411 H N 3.620 123.025 119.070 0.558 0.000 2.897 1411 H HA 0.026 4.581 4.556 -0.003 0.000 0.347 1411 H C 1.266 176.864 175.328 0.450 0.000 1.068 1411 H CA 0.786 57.108 56.048 0.456 0.000 1.426 1411 H CB 1.176 31.217 29.762 0.464 0.000 1.410 1411 H HN 0.921 nan 8.280 nan 0.000 0.597 1412 E N 3.973 124.282 120.200 0.183 0.000 2.114 1412 E HA -0.345 4.003 4.350 -0.003 0.000 0.199 1412 E C 1.515 178.420 176.600 0.508 0.000 1.008 1412 E CA 1.703 58.312 56.400 0.348 0.000 0.810 1412 E CB -0.280 29.525 29.700 0.175 0.000 0.739 1412 E HN 0.833 nan 8.360 nan 0.000 0.456 1413 H N -0.872 118.469 119.070 0.452 0.000 2.472 1413 H HA -0.199 4.356 4.556 -0.003 0.000 0.296 1413 H C 0.953 176.174 175.328 -0.178 0.000 1.120 1413 H CA 2.177 58.246 56.048 0.034 0.000 1.250 1413 H CB -0.326 29.256 29.762 -0.299 0.000 1.366 1413 H HN 0.263 nan 8.280 nan 0.000 0.524 1414 Y N -0.488 119.947 120.300 0.224 0.000 2.457 1414 Y HA -0.000 4.548 4.550 -0.003 0.000 0.263 1414 Y C 1.892 177.832 175.900 0.067 0.000 1.164 1414 Y CA -0.057 58.090 58.100 0.078 0.000 1.274 1414 Y CB -0.623 37.966 38.460 0.216 0.000 1.097 1414 Y HN 0.478 nan 8.280 nan 0.000 0.523 1415 W N 1.135 122.533 121.300 0.163 0.000 2.342 1415 W HA -0.170 4.488 4.660 -0.003 0.000 0.297 1415 W C 0.742 177.183 176.519 -0.130 0.000 1.213 1415 W CA 1.552 58.961 57.345 0.107 0.000 1.251 1415 W CB -0.586 28.960 29.460 0.145 0.000 1.136 1415 W HN 0.198 nan 8.180 nan 0.000 0.526 1416 E N 0.592 120.176 120.200 -1.026 0.000 2.150 1416 E HA -0.135 4.213 4.350 -0.003 0.000 0.193 1416 E C 2.243 178.513 176.600 -0.551 0.000 0.985 1416 E CA 2.099 57.809 56.400 -1.150 0.000 0.814 1416 E CB -0.304 28.647 29.700 -1.249 0.000 0.752 1416 E HN 0.199 nan 8.360 nan 0.000 0.466 1417 T N 1.353 115.711 114.554 -0.327 0.000 2.821 1417 T HA -0.096 4.253 4.350 -0.003 0.000 0.267 1417 T C 1.966 176.608 174.700 -0.097 0.000 1.046 1417 T CA 0.753 62.737 62.100 -0.193 0.000 1.139 1417 T CB -0.100 68.760 68.868 -0.013 0.000 0.871 1417 T HN 0.108 nan 8.240 nan 0.000 0.454 1418 I N 0.897 121.484 120.570 0.029 0.000 2.252 1418 I HA -0.159 4.009 4.170 -0.003 0.000 0.245 1418 I C 2.781 178.745 176.117 -0.255 0.000 1.102 1418 I CA 0.873 62.217 61.300 0.072 0.000 1.385 1418 I CB -0.339 37.817 38.000 0.260 0.000 1.064 1418 I HN 0.226 nan 8.210 nan 0.000 0.414 1419 S N 0.564 116.034 115.700 -0.382 0.000 2.370 1419 S HA -0.212 4.256 4.470 -0.003 0.000 0.226 1419 S C 2.217 176.584 174.600 -0.389 0.000 1.033 1419 S CA 1.503 59.410 58.200 -0.488 0.000 1.011 1419 S CB -0.214 62.633 63.200 -0.588 0.000 0.852 1419 S HN 0.480 nan 8.310 nan 0.000 0.457 1420 A N 0.290 122.864 122.820 -0.410 0.000 1.933 1420 A HA 0.026 4.344 4.320 -0.003 0.000 0.218 1420 A C 1.863 179.137 177.584 -0.517 0.000 1.175 1420 A CA 1.470 53.248 52.037 -0.432 0.000 0.628 1420 A CB -0.984 17.735 19.000 -0.469 0.000 0.814 1420 A HN 0.586 nan 8.150 nan 0.000 0.444 1421 F N -0.164 119.433 119.950 -0.589 0.000 2.134 1421 F HA -0.202 4.323 4.527 -0.002 0.000 0.299 1421 F C 2.730 177.851 175.800 -1.131 0.000 1.097 1421 F CA 1.090 58.532 58.000 -0.930 0.000 1.264 1421 F CB -0.960 37.197 39.000 -1.406 0.000 1.001 1421 F HN 0.265 nan 8.300 nan 0.000 0.479 1422 C N -0.101 118.679 119.300 -0.867 0.000 2.413 1422 C HA -0.198 4.260 4.460 -0.003 0.000 0.276 1422 C C 2.511 177.318 174.990 -0.305 0.000 1.248 1422 C CA 0.966 59.612 59.018 -0.620 0.000 1.742 1422 C CB -0.957 26.441 27.740 -0.570 0.000 2.017 1422 C HN 0.424 nan 8.230 nan 0.000 0.481 1423 D N 0.459 120.697 120.400 -0.269 0.000 2.092 1423 D HA -0.117 4.522 4.640 -0.003 0.000 0.193 1423 D C 2.331 178.543 176.300 -0.147 0.000 0.994 1423 D CA 1.201 55.098 54.000 -0.171 0.000 0.828 1423 D CB -0.465 40.228 40.800 -0.178 0.000 0.963 1423 D HN 0.480 nan 8.370 nan 0.000 0.450 1424 R N -0.415 119.978 120.500 -0.179 0.000 2.127 1424 R HA -0.063 4.275 4.340 -0.003 0.000 0.238 1424 R C 1.820 178.058 176.300 -0.103 0.000 1.134 1424 R CA 0.875 56.899 56.100 -0.126 0.000 0.975 1424 R CB -0.168 30.069 30.300 -0.105 0.000 0.865 1424 R HN 0.443 nan 8.270 nan 0.000 0.447 1425 H N -1.113 117.840 119.070 -0.195 0.000 2.529 1425 H HA 0.129 4.684 4.556 -0.003 0.000 0.277 1425 H C 0.746 176.048 175.328 -0.043 0.000 1.004 1425 H CA 0.471 56.462 56.048 -0.095 0.000 1.167 1425 H CB 0.878 30.589 29.762 -0.085 0.000 1.445 1425 H HN 0.449 nan 8.280 nan 0.000 0.554 1426 G N 1.705 110.512 108.800 0.012 0.000 2.198 1426 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.257 1426 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.257 1426 G C -0.039 174.888 174.900 0.045 0.000 1.042 1426 G CA 0.594 45.702 45.100 0.012 0.000 0.791 1426 G HN 0.350 nan 8.290 nan 0.000 0.502 1427 V N -0.634 119.307 119.914 0.046 0.000 2.735 1427 V HA 0.699 4.818 4.120 -0.003 0.000 0.310 1427 V C -0.318 175.819 176.094 0.071 0.000 1.061 1427 V CA -0.668 61.688 62.300 0.092 0.000 0.913 1427 V CB 2.028 33.960 31.823 0.181 0.000 1.005 1427 V HN 0.316 nan 8.190 nan 0.000 0.428 1428 D N 3.570 124.043 120.400 0.122 0.000 2.390 1428 D HA 0.121 4.760 4.640 -0.003 0.000 0.249 1428 D C 0.516 176.951 176.300 0.226 0.000 1.144 1428 D CA 0.326 54.407 54.000 0.136 0.000 0.880 1428 D CB 0.894 41.766 40.800 0.121 0.000 1.182 1428 D HN 0.585 nan 8.370 nan 0.000 0.451 1429 Y N 4.194 124.529 120.300 0.058 0.000 2.114 1429 Y HA -0.149 4.400 4.550 -0.003 0.000 0.284 1429 Y C 1.572 177.724 175.900 0.419 0.000 1.143 1429 Y CA 1.512 59.684 58.100 0.121 0.000 1.135 1429 Y CB -0.308 38.171 38.460 0.033 0.000 0.980 1429 Y HN 0.517 nan 8.280 nan 0.000 0.499 1430 L N -0.250 121.104 121.223 0.218 0.000 2.072 1430 L HA -0.063 4.275 4.340 -0.003 0.000 0.205 1430 L C 2.344 179.230 176.870 0.026 0.000 1.079 1430 L CA 2.581 57.454 54.840 0.055 0.000 0.752 1430 L CB -0.870 41.274 42.059 0.142 0.000 0.906 1430 L HN 0.531 nan 8.230 nan 0.000 0.436 1431 T N -4.094 110.506 114.554 0.076 0.000 2.990 1431 T HA 0.352 4.701 4.350 -0.003 0.000 0.250 1431 T C 1.029 175.757 174.700 0.048 0.000 1.041 1431 T CA 0.157 62.279 62.100 0.035 0.000 1.010 1431 T CB -0.479 68.410 68.868 0.035 0.000 1.003 1431 T HN 0.292 nan 8.240 nan 0.000 0.499 1432 G N 0.868 109.752 108.800 0.140 0.000 2.580 1432 G HA2 0.465 4.423 3.960 -0.003 0.000 0.278 1432 G HA3 0.465 4.423 3.960 -0.003 0.000 0.278 1432 G C -0.837 174.137 174.900 0.123 0.000 1.212 1432 G CA -0.586 44.615 45.100 0.168 0.000 0.939 1432 G HN 0.298 nan 8.290 nan 0.000 0.513 1433 S N 0.845 116.606 115.700 0.101 0.000 2.448 1433 S HA 0.643 5.111 4.470 -0.003 0.000 0.320 1433 S C -0.784 173.883 174.600 0.113 0.000 1.071 1433 S CA -0.824 57.353 58.200 -0.038 0.000 1.113 1433 S CB -0.078 63.100 63.200 -0.037 0.000 0.972 1433 S HN 0.568 nan 8.310 nan 0.000 0.465 1434 W N 3.883 125.205 121.300 0.038 0.000 3.118 1434 W HA 0.527 5.186 4.660 -0.002 0.000 0.328 1434 W C -1.776 174.727 176.519 -0.026 0.000 1.239 1434 W CA -1.249 56.135 57.345 0.064 0.000 1.176 1434 W CB 0.660 30.225 29.460 0.174 0.000 1.433 1434 W HN 0.677 nan 8.180 nan 0.000 0.562 1435 W N 4.375 125.611 121.300 -0.106 0.000 2.543 1435 W HA 0.338 4.996 4.660 -0.003 0.000 0.318 1435 W C -2.789 173.170 176.519 -0.934 0.000 1.002 1435 W CA -2.153 54.864 57.345 -0.546 0.000 1.302 1435 W CB 2.060 31.265 29.460 -0.425 0.000 1.299 1435 W HN -0.008 nan 8.180 nan 0.000 0.424 1436 P HA -0.005 nan 4.420 nan 0.000 0.265 1436 P C 0.012 176.406 177.300 -1.510 0.000 1.193 1436 P CA 0.762 62.640 63.100 -2.036 0.000 0.765 1436 P CB 0.760 31.409 31.700 -1.752 0.000 0.823 1437 I N 4.016 123.625 120.570 -1.602 0.000 2.436 1437 I HA 0.001 4.169 4.170 -0.003 0.000 0.289 1437 I C 1.842 177.550 176.117 -0.681 0.000 1.083 1437 I CA -0.050 60.720 61.300 -0.884 0.000 1.372 1437 I CB 0.251 37.841 38.000 -0.684 0.000 1.408 1437 I HN 0.383 nan 8.210 nan 0.000 0.516 1438 L N 4.709 125.621 121.223 -0.518 0.000 2.042 1438 L HA -0.208 4.130 4.340 -0.003 0.000 0.210 1438 L C 1.816 178.319 176.870 -0.611 0.000 1.076 1438 L CA 1.378 55.874 54.840 -0.573 0.000 0.749 1438 L CB -0.416 41.402 42.059 -0.402 0.000 0.893 1438 L HN 0.636 nan 8.230 nan 0.000 0.432 1439 D N 0.071 120.290 120.400 -0.302 0.000 2.158 1439 D HA -0.196 4.442 4.640 -0.003 0.000 0.197 1439 D C 1.775 178.001 176.300 -0.124 0.000 0.995 1439 D CA 1.248 55.185 54.000 -0.104 0.000 0.846 1439 D CB -0.256 40.522 40.800 -0.036 0.000 0.941 1439 D HN 0.316 nan 8.370 nan 0.000 0.456 1440 D N 0.028 120.281 120.400 -0.245 0.000 2.117 1440 D HA -0.081 4.557 4.640 -0.003 0.000 0.197 1440 D C 2.389 178.560 176.300 -0.216 0.000 0.987 1440 D CA 0.394 54.236 54.000 -0.262 0.000 0.829 1440 D CB -0.314 40.110 40.800 -0.626 0.000 0.961 1440 D HN 0.246 nan 8.370 nan 0.000 0.460 1441 L N -0.120 120.913 121.223 -0.316 0.000 2.017 1441 L HA -0.212 4.127 4.340 -0.003 0.000 0.208 1441 L C 2.540 179.405 176.870 -0.009 0.000 1.073 1441 L CA 1.052 55.793 54.840 -0.165 0.000 0.745 1441 L CB -0.669 41.242 42.059 -0.247 0.000 0.894 1441 L HN 0.058 nan 8.230 nan 0.000 0.432 1442 Y N 0.361 120.652 120.300 -0.016 0.000 2.165 1442 Y HA -0.200 4.348 4.550 -0.003 0.000 0.286 1442 Y C 2.705 178.613 175.900 0.014 0.000 1.155 1442 Y CA 0.671 58.767 58.100 -0.007 0.000 1.164 1442 Y CB -1.270 37.185 38.460 -0.007 0.000 0.978 1442 Y HN 0.126 nan 8.280 nan 0.000 0.513 1443 A N -1.001 121.930 122.820 0.184 0.000 2.070 1443 A HA -0.104 4.214 4.320 -0.003 0.000 0.220 1443 A C 2.079 179.746 177.584 0.138 0.000 1.159 1443 A CA 1.684 53.804 52.037 0.139 0.000 0.656 1443 A CB -0.675 18.399 19.000 0.124 0.000 0.800 1443 A HN 0.330 nan 8.150 nan 0.000 0.453 1444 S N 0.390 116.185 115.700 0.159 0.000 2.597 1444 S HA 0.106 4.574 4.470 -0.003 0.000 0.224 1444 S C 0.125 174.788 174.600 0.104 0.000 0.955 1444 S CA -0.097 58.194 58.200 0.151 0.000 0.933 1444 S CB -0.182 63.158 63.200 0.234 0.000 0.788 1444 S HN 0.663 nan 8.310 nan 0.000 0.488 1445 N N 1.152 119.909 118.700 0.095 0.000 2.754 1445 N HA -0.152 4.586 4.740 -0.003 0.000 0.248 1445 N C -0.781 174.719 175.510 -0.016 0.000 1.093 1445 N CA 0.594 53.682 53.050 0.064 0.000 0.699 1445 N CB -1.792 36.739 38.487 0.073 0.000 1.016 1445 N HN 0.487 nan 8.380 nan 0.000 0.552 1446 I N 0.835 121.366 120.570 -0.064 0.000 2.312 1446 I HA 0.271 4.439 4.170 -0.003 0.000 0.290 1446 I C -2.027 174.018 176.117 -0.120 0.000 1.008 1446 I CA -1.879 59.214 61.300 -0.346 0.000 1.226 1446 I CB 1.378 39.184 38.000 -0.324 0.000 1.371 1446 I HN -0.263 nan 8.210 nan 0.000 0.468 1447 P HA 0.134 nan 4.420 nan 0.000 0.271 1447 P C -0.815 176.512 177.300 0.044 0.000 1.216 1447 P CA -0.138 62.945 63.100 -0.027 0.000 0.771 1447 P CB 0.864 32.520 31.700 -0.073 0.000 0.864 1448 V N 4.725 124.706 119.914 0.111 0.000 2.409 1448 V HA 0.260 4.379 4.120 -0.003 0.000 0.291 1448 V C -0.514 175.611 176.094 0.052 0.000 1.020 1448 V CA -0.644 61.757 62.300 0.170 0.000 0.848 1448 V CB 0.686 32.661 31.823 0.253 0.000 0.990 1448 V HN 0.384 nan 8.190 nan 0.000 0.430 1449 Y N 4.325 124.705 120.300 0.134 0.000 2.359 1449 Y HA 0.511 5.059 4.550 -0.003 0.000 0.334 1449 Y C 0.884 176.834 175.900 0.084 0.000 1.058 1449 Y CA -0.059 58.121 58.100 0.134 0.000 1.244 1449 Y CB 0.634 39.196 38.460 0.170 0.000 1.187 1449 Y HN 0.441 nan 8.280 nan 0.000 0.510 1450 R N 5.013 125.616 120.500 0.171 0.000 2.513 1450 R HA 0.586 4.925 4.340 -0.003 0.000 0.301 1450 R C -1.510 174.837 176.300 0.078 0.000 0.968 1450 R CA -0.747 55.298 56.100 -0.091 0.000 0.872 1450 R CB 1.492 31.692 30.300 -0.167 0.000 1.177 1450 R HN 0.666 nan 8.270 nan 0.000 0.444 1451 F N -1.205 118.649 119.950 -0.161 0.000 2.711 1451 F HA 0.650 5.175 4.527 -0.003 0.000 0.313 1451 F C -1.505 174.254 175.800 -0.069 0.000 1.141 1451 F CA -1.301 56.641 58.000 -0.098 0.000 0.941 1451 F CB 0.927 39.873 39.000 -0.090 0.000 1.349 1451 F HN 0.039 nan 8.300 nan 0.000 0.464 1452 V N 1.775 121.765 119.914 0.127 0.000 2.459 1452 V HA 0.414 4.533 4.120 -0.003 0.000 0.295 1452 V C -0.735 175.456 176.094 0.163 0.000 1.029 1452 V CA -0.607 61.734 62.300 0.068 0.000 0.874 1452 V CB 1.481 33.337 31.823 0.055 0.000 0.985 1452 V HN 0.857 nan 8.190 nan 0.000 0.438 1453 Q N 5.331 125.216 119.800 0.141 0.000 2.368 1453 Q HA 0.424 4.763 4.340 -0.003 0.000 0.256 1453 Q C -0.392 175.680 176.000 0.119 0.000 0.980 1453 Q CA -0.555 55.319 55.803 0.118 0.000 0.887 1453 Q CB 0.816 29.625 28.738 0.119 0.000 1.221 1453 Q HN 0.663 nan 8.270 nan 0.000 0.458 1454 R N 3.553 124.104 120.500 0.086 0.000 2.553 1454 R HA 0.436 4.775 4.340 -0.003 0.000 0.263 1454 R C -2.391 173.956 176.300 0.078 0.000 1.066 1454 R CA -2.005 54.144 56.100 0.080 0.000 1.135 1454 R CB 0.276 30.616 30.300 0.066 0.000 1.148 1454 R HN 0.510 nan 8.270 nan 0.000 0.558 1455 P HA -0.030 nan 4.420 nan 0.000 0.263 1455 P C 0.468 177.809 177.300 0.068 0.000 1.195 1455 P CA 1.083 64.230 63.100 0.078 0.000 0.762 1455 P CB 0.435 32.182 31.700 0.079 0.000 0.799 1456 G N 2.267 111.104 108.800 0.062 0.000 2.217 1456 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.246 1456 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.246 1456 G C -0.090 174.829 174.900 0.032 0.000 0.990 1456 G CA -0.322 44.808 45.100 0.051 0.000 0.627 1456 G HN 0.493 nan 8.290 nan 0.000 0.522 1457 D N 0.475 120.893 120.400 0.030 0.000 2.350 1457 D HA 0.481 5.119 4.640 -0.003 0.000 0.249 1457 D C 0.476 176.757 176.300 -0.033 0.000 1.119 1457 D CA -0.090 53.909 54.000 -0.001 0.000 0.886 1457 D CB 1.699 42.497 40.800 -0.004 0.000 1.195 1457 D HN 0.412 nan 8.370 nan 0.000 0.437 1458 L N 2.318 123.503 121.223 -0.064 0.000 2.295 1458 L HA 0.391 4.730 4.340 -0.003 0.000 0.285 1458 L C -1.056 175.723 176.870 -0.152 0.000 1.035 1458 L CA -0.657 54.125 54.840 -0.097 0.000 0.806 1458 L CB 1.223 43.236 42.059 -0.076 0.000 1.214 1458 L HN 0.044 nan 8.230 nan 0.000 0.426 1459 V N 4.965 124.746 119.914 -0.222 0.000 2.370 1459 V HA 0.220 4.339 4.120 -0.003 0.000 0.283 1459 V C -0.510 175.466 176.094 -0.197 0.000 1.023 1459 V CA -0.534 61.571 62.300 -0.326 0.000 0.857 1459 V CB 1.373 32.761 31.823 -0.724 0.000 0.985 1459 V HN 0.739 nan 8.190 nan 0.000 0.443 1460 W N 7.141 128.279 121.300 -0.271 0.000 2.322 1460 W HA 0.570 5.229 4.660 -0.003 0.000 0.307 1460 W C -1.118 175.275 176.519 -0.209 0.000 1.220 1460 W CA -0.795 56.431 57.345 -0.198 0.000 1.210 1460 W CB 1.139 30.529 29.460 -0.116 0.000 1.223 1460 W HN 0.439 nan 8.180 nan 0.000 0.511 1461 I N 7.026 127.319 120.570 -0.462 0.000 2.355 1461 I HA 0.099 4.267 4.170 -0.003 0.000 0.288 1461 I C 0.469 176.393 176.117 -0.322 0.000 0.999 1461 I CA -0.732 60.371 61.300 -0.328 0.000 1.163 1461 I CB 0.846 38.621 38.000 -0.374 0.000 1.316 1461 I HN 0.289 nan 8.210 nan 0.000 0.454 1462 N N 3.666 122.333 118.700 -0.055 0.000 2.399 1462 N HA 0.322 5.061 4.740 -0.003 0.000 0.250 1462 N C 0.001 175.499 175.510 -0.020 0.000 1.272 1462 N CA -0.182 52.894 53.050 0.044 0.000 0.928 1462 N CB 1.198 39.744 38.487 0.097 0.000 1.158 1462 N HN 0.705 nan 8.380 nan 0.000 0.463 1463 A N -0.014 122.820 122.820 0.024 0.000 2.511 1463 A HA 0.437 4.756 4.320 -0.003 0.000 0.242 1463 A C 1.341 178.934 177.584 0.015 0.000 1.069 1463 A CA 0.611 52.666 52.037 0.030 0.000 0.763 1463 A CB -0.614 18.425 19.000 0.065 0.000 1.001 1463 A HN 0.907 nan 8.150 nan 0.000 0.498 1464 G N 1.840 110.655 108.800 0.025 0.000 2.253 1464 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.251 1464 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.251 1464 G C 0.566 175.529 174.900 0.106 0.000 0.998 1464 G CA 0.551 45.677 45.100 0.044 0.000 0.621 1464 G HN 1.252 nan 8.290 nan 0.000 0.524 1465 T N 1.845 116.445 114.554 0.076 0.000 2.829 1465 T HA 0.392 4.740 4.350 -0.003 0.000 0.293 1465 T C 0.722 175.607 174.700 0.309 0.000 0.970 1465 T CA 0.284 62.468 62.100 0.140 0.000 1.168 1465 T CB 1.663 70.550 68.868 0.032 0.000 0.911 1465 T HN 0.520 nan 8.240 nan 0.000 0.535 1466 V N 7.123 127.277 119.914 0.401 0.000 2.488 1466 V HA 0.327 4.445 4.120 -0.003 0.000 0.277 1466 V C 0.414 176.824 176.094 0.526 0.000 1.046 1466 V CA -0.421 62.165 62.300 0.475 0.000 0.986 1466 V CB -0.052 32.151 31.823 0.632 0.000 0.989 1466 V HN 0.961 nan 8.190 nan 0.000 0.475 1467 H N 2.949 122.144 119.070 0.209 0.000 3.016 1467 H HA 0.644 5.198 4.556 -0.003 0.000 0.362 1467 H C -1.525 173.907 175.328 0.174 0.000 1.233 1467 H CA -1.428 54.695 56.048 0.126 0.000 1.124 1467 H CB 1.614 31.388 29.762 0.020 0.000 1.850 1467 H HN 0.722 nan 8.280 nan 0.000 0.549 1468 W N 0.441 121.621 121.300 -0.200 0.000 3.137 1468 W HA 0.653 5.312 4.660 -0.002 0.000 0.324 1468 W C -2.309 174.080 176.519 -0.215 0.000 1.253 1468 W CA -1.105 56.022 57.345 -0.364 0.000 1.183 1468 W CB 1.004 30.043 29.460 -0.702 0.000 1.424 1468 W HN 0.441 nan 8.180 nan 0.000 0.566 1469 V N 1.656 121.547 119.914 -0.039 0.000 2.888 1469 V HA 0.503 4.622 4.120 -0.003 0.000 0.309 1469 V C -1.033 175.125 176.094 0.106 0.000 1.114 1469 V CA -0.914 61.252 62.300 -0.224 0.000 0.940 1469 V CB 1.675 33.009 31.823 -0.815 0.000 1.021 1469 V HN 0.715 nan 8.190 nan 0.000 0.426 1470 Q N 1.981 121.830 119.800 0.082 0.000 2.304 1470 Q HA 0.762 5.101 4.340 -0.003 0.000 0.270 1470 Q C -0.461 175.475 176.000 -0.106 0.000 1.035 1470 Q CA -0.560 55.252 55.803 0.015 0.000 0.781 1470 Q CB 2.087 30.924 28.738 0.164 0.000 1.261 1470 Q HN 1.109 nan 8.270 nan 0.000 0.444 1471 A N 2.105 124.796 122.820 -0.215 0.000 2.511 1471 A HA 0.229 4.547 4.320 -0.003 0.000 0.242 1471 A C 0.878 178.376 177.584 -0.143 0.000 1.069 1471 A CA 0.616 52.542 52.037 -0.186 0.000 0.763 1471 A CB 0.223 19.064 19.000 -0.265 0.000 1.001 1471 A HN 0.901 nan 8.150 nan 0.000 0.498 1472 T N 0.014 114.517 114.554 -0.085 0.000 3.001 1472 T HA 0.456 4.804 4.350 -0.003 0.000 0.251 1472 T C 0.825 175.481 174.700 -0.074 0.000 1.040 1472 T CA 0.607 62.669 62.100 -0.063 0.000 0.985 1472 T CB 0.091 68.958 68.868 -0.002 0.000 1.011 1472 T HN 1.093 nan 8.240 nan 0.000 0.509 1473 G N -0.662 108.098 108.800 -0.066 0.000 3.211 1473 G HA2 0.519 4.478 3.960 -0.003 0.000 0.262 1473 G HA3 0.519 4.478 3.960 -0.003 0.000 0.262 1473 G C -1.474 173.359 174.900 -0.111 0.000 1.352 1473 G CA -1.179 43.926 45.100 0.008 0.000 1.004 1473 G HN 0.286 nan 8.290 nan 0.000 0.559 1474 W N 0.943 122.292 121.300 0.081 0.000 2.331 1474 W HA 0.487 5.146 4.660 -0.002 0.000 0.306 1474 W C 0.040 176.558 176.519 -0.002 0.000 1.162 1474 W CA -0.495 56.872 57.345 0.037 0.000 1.232 1474 W CB 0.824 30.276 29.460 -0.014 0.000 1.235 1474 W HN 0.762 nan 8.180 nan 0.000 0.479 1475 C N 2.181 121.576 119.300 0.158 0.000 3.312 1475 C HA 0.518 4.976 4.460 -0.003 0.000 0.332 1475 C C -0.879 174.196 174.990 0.142 0.000 1.340 1475 C CA -1.071 58.023 59.018 0.128 0.000 1.265 1475 C CB 1.431 29.230 27.740 0.098 0.000 1.563 1475 C HN 0.599 nan 8.230 nan 0.000 0.471 1476 N N 1.583 120.371 118.700 0.146 0.000 2.370 1476 N HA 0.625 5.364 4.740 -0.003 0.000 0.303 1476 N C -1.279 174.325 175.510 0.156 0.000 1.103 1476 N CA -0.273 52.877 53.050 0.166 0.000 0.848 1476 N CB 1.547 40.135 38.487 0.168 0.000 1.235 1476 N HN 0.806 nan 8.380 nan 0.000 0.496 1477 N N 0.028 118.849 118.700 0.202 0.000 2.272 1477 N HA 0.556 5.294 4.740 -0.003 0.000 0.305 1477 N C -1.020 174.623 175.510 0.222 0.000 1.103 1477 N CA -0.588 52.584 53.050 0.203 0.000 0.791 1477 N CB 2.346 40.974 38.487 0.234 0.000 1.356 1477 N HN 0.465 nan 8.380 nan 0.000 0.486 1478 I N 0.861 121.503 120.570 0.119 0.000 2.569 1478 I HA 0.851 5.019 4.170 -0.003 0.000 0.296 1478 I C -1.255 174.945 176.117 0.139 0.000 1.028 1478 I CA -0.639 60.724 61.300 0.104 0.000 1.082 1478 I CB 1.218 39.157 38.000 -0.101 0.000 1.264 1478 I HN 0.658 nan 8.210 nan 0.000 0.429 1479 A N 6.071 129.030 122.820 0.232 0.000 2.594 1479 A HA 0.830 5.148 4.320 -0.003 0.000 0.295 1479 A C -2.145 175.589 177.584 0.250 0.000 1.071 1479 A CA -0.463 51.607 52.037 0.055 0.000 0.685 1479 A CB 1.136 20.224 19.000 0.146 0.000 1.285 1479 A HN 0.900 nan 8.150 nan 0.000 0.405 1480 W N 0.956 122.262 121.300 0.011 0.000 3.146 1480 W HA 0.632 5.291 4.660 -0.003 0.000 0.319 1480 W C -0.851 175.650 176.519 -0.032 0.000 1.258 1480 W CA -0.737 56.605 57.345 -0.005 0.000 1.189 1480 W CB 0.380 29.821 29.460 -0.032 0.000 1.412 1480 W HN 0.827 nan 8.180 nan 0.000 0.567 1481 N N 0.376 119.174 118.700 0.163 0.000 2.515 1481 N HA 0.428 5.166 4.740 -0.003 0.000 0.279 1481 N C -0.176 175.362 175.510 0.046 0.000 1.164 1481 N CA -0.337 52.739 53.050 0.044 0.000 0.982 1481 N CB 1.693 40.287 38.487 0.179 0.000 1.170 1481 N HN 1.067 nan 8.380 nan 0.000 0.474 1482 V N -3.675 116.159 119.914 -0.132 0.000 2.991 1482 V HA 0.663 4.781 4.120 -0.003 0.000 0.355 1482 V C 0.757 176.721 176.094 -0.216 0.000 1.384 1482 V CA 0.031 62.266 62.300 -0.108 0.000 1.171 1482 V CB -0.914 30.840 31.823 -0.116 0.000 1.190 1482 V HN 1.128 nan 8.190 nan 0.000 0.540 1483 G N 1.941 110.453 108.800 -0.480 0.000 2.782 1483 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.228 1483 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.228 1483 G C -2.539 172.123 174.900 -0.397 0.000 1.372 1483 G CA -0.168 44.410 45.100 -0.870 0.000 0.862 1483 G HN 0.508 nan 8.290 nan 0.000 0.547 1484 P HA 0.349 nan 4.420 nan 0.000 0.219 1484 P C 0.943 178.308 177.300 0.109 0.000 1.832 1484 P CA -0.184 62.993 63.100 0.129 0.000 1.014 1484 P CB -0.259 31.590 31.700 0.247 0.000 1.939 1485 L N -0.393 120.908 121.223 0.130 0.000 2.585 1485 L HA 0.110 4.448 4.340 -0.003 0.000 0.226 1485 L C 0.783 177.811 176.870 0.262 0.000 1.113 1485 L CA 0.368 55.322 54.840 0.190 0.000 0.876 1485 L CB -0.174 42.027 42.059 0.236 0.000 1.072 1485 L HN 0.061 nan 8.230 nan 0.000 0.468 1486 T N 1.019 115.695 114.554 0.204 0.000 2.902 1486 T HA 0.203 4.551 4.350 -0.003 0.000 0.301 1486 T C 1.113 175.819 174.700 0.010 0.000 1.012 1486 T CA 0.614 62.795 62.100 0.136 0.000 1.151 1486 T CB 0.953 69.877 68.868 0.094 0.000 0.946 1486 T HN 0.399 nan 8.240 nan 0.000 0.542 1487 A N 2.670 125.414 122.820 -0.127 0.000 2.816 1487 A HA -0.254 4.064 4.320 -0.003 0.000 0.270 1487 A C 1.138 178.521 177.584 -0.336 0.000 1.413 1487 A CA 1.709 53.465 52.037 -0.468 0.000 0.866 1487 A CB -2.792 15.757 19.000 -0.752 0.000 1.032 1487 A HN 1.228 nan 8.150 nan 0.000 0.642 1488 Y N 0.283 120.511 120.300 -0.120 0.000 2.256 1488 Y HA -0.241 4.307 4.550 -0.003 0.000 0.288 1488 Y C 2.140 178.042 175.900 0.002 0.000 1.155 1488 Y CA 1.827 59.905 58.100 -0.037 0.000 1.203 1488 Y CB -0.593 37.861 38.460 -0.010 0.000 0.980 1488 Y HN 0.673 nan 8.280 nan 0.000 0.530 1489 Q N -0.502 118.563 119.800 -1.226 0.000 2.291 1489 Q HA -0.233 4.105 4.340 -0.003 0.000 0.206 1489 Q C 1.352 177.265 176.000 -0.144 0.000 0.976 1489 Q CA 1.527 56.839 55.803 -0.818 0.000 0.875 1489 Q CB -1.280 27.095 28.738 -0.606 0.000 0.927 1489 Q HN 0.607 nan 8.270 nan 0.000 0.450 1490 Y N 2.149 122.299 120.300 -0.249 0.000 2.384 1490 Y HA -0.125 4.423 4.550 -0.003 0.000 0.289 1490 Y C 2.259 178.108 175.900 -0.085 0.000 1.152 1490 Y CA 0.846 58.870 58.100 -0.126 0.000 1.258 1490 Y CB -0.594 37.823 38.460 -0.073 0.000 0.979 1490 Y HN 0.298 nan 8.280 nan 0.000 0.549 1491 Q N -0.502 119.343 119.800 0.075 0.000 2.226 1491 Q HA -0.147 4.191 4.340 -0.003 0.000 0.204 1491 Q C 1.859 177.877 176.000 0.030 0.000 0.975 1491 Q CA 1.116 56.955 55.803 0.059 0.000 0.866 1491 Q CB -0.241 28.549 28.738 0.085 0.000 0.915 1491 Q HN 0.481 nan 8.270 nan 0.000 0.440 1492 L N -0.324 120.897 121.223 -0.003 0.000 2.509 1492 L HA 0.143 4.481 4.340 -0.003 0.000 0.222 1492 L C 1.040 177.897 176.870 -0.021 0.000 1.123 1492 L CA -0.425 54.409 54.840 -0.010 0.000 0.856 1492 L CB -0.069 41.972 42.059 -0.030 0.000 0.985 1492 L HN 0.048 nan 8.230 nan 0.000 0.456 1493 A N 0.000 122.800 122.820 -0.034 0.000 2.254 1493 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 1493 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 1493 A CB 0.000 18.937 19.000 -0.105 0.000 0.831 1493 A HN 0.000 nan 8.150 nan 0.000 0.486