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 3gd7_1_B DATA FIRST_RESID 1203 DATA SEQUENCE IWPSGGQMTV KDLTAKYTEG GNAILENISF SISPGQRVGL LGRTGSGKST DATA SEQUENCE LLSAFLRLLN TEGEIQIDGV SWDSITLEQW RKAFGVIPQK VFIFSGTFRK DATA SEQUENCE NLDPNAAHSD QEIWKVADEV GLRSVIEQFP GKLDFVLVDG GCVLSHGHKQ DATA SEQUENCE LMCLARSVLS KAKILLLDEP SAHLDPVTYQ IIRRTLKQAF ADCTVILCEA DATA SEQUENCE RIEAMLECDQ FLVIEENKVR QYDSILELYH YPADRFVAGF IGSPKMNFLP DATA SEQUENCE VKVTATAIDQ VQVELPMPNR QQVWLPVESR DVQVGANMSL GIRPEHLLPS DATA SEQUENCE DIADVILEGE VQVVEQLGNE TQIHIQIPSI RQNLVYRQND VVLVEEGATF DATA SEQUENCE AIGLPPERCH LFREDGTACR RLHKEPG 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 1203 I HA 0.000 nan 4.170 nan 0.000 0.288 1203 I C 0.000 176.228 176.117 0.185 0.000 1.063 1203 I CA 0.000 61.368 61.300 0.114 0.000 1.566 1203 I CB 0.000 38.035 38.000 0.058 0.000 1.214 1204 W N 8.771 130.065 121.300 -0.011 0.000 3.097 1204 W HA 0.761 5.421 4.660 0.000 0.000 0.335 1204 W C -2.732 173.761 176.519 -0.043 0.000 1.114 1204 W CA -1.168 56.161 57.345 -0.026 0.000 1.231 1204 W CB 1.660 31.114 29.460 -0.010 0.000 1.388 1204 W HN 0.184 nan 8.180 nan 0.000 0.485 1205 P HA 0.390 nan 4.420 nan 0.000 0.276 1205 P C -0.149 176.910 177.300 -0.402 0.000 1.244 1205 P CA -0.291 62.188 63.100 -1.035 0.000 0.801 1205 P CB 1.866 32.892 31.700 -1.125 0.000 1.006 1206 S N 0.170 115.699 115.700 -0.285 0.000 2.431 1206 S HA 0.131 4.601 4.470 0.000 0.000 0.210 1206 S C 1.717 176.235 174.600 -0.136 0.000 1.013 1206 S CA 0.868 58.988 58.200 -0.133 0.000 0.920 1206 S CB -0.697 62.471 63.200 -0.053 0.000 0.882 1206 S HN 0.695 nan 8.310 nan 0.000 0.567 1207 G N -0.561 108.154 108.800 -0.141 0.000 2.743 1207 G HA2 0.433 4.394 3.960 0.000 0.000 0.206 1207 G HA3 0.433 4.394 3.960 0.000 0.000 0.206 1207 G C 0.803 175.607 174.900 -0.160 0.000 1.115 1207 G CA 0.361 45.390 45.100 -0.119 0.000 0.782 1207 G HN 1.007 nan 8.290 nan 0.000 0.524 1208 G N 0.157 108.818 108.800 -0.232 0.000 2.165 1208 G HA2 -0.200 3.760 3.960 0.000 0.000 0.226 1208 G HA3 -0.200 3.760 3.960 0.000 0.000 0.226 1208 G C 0.136 174.899 174.900 -0.228 0.000 1.035 1208 G CA 0.306 45.227 45.100 -0.298 0.000 0.744 1208 G HN 1.014 nan 8.290 nan 0.000 0.501 1209 Q N -0.626 119.073 119.800 -0.169 0.000 2.261 1209 Q HA 0.765 5.105 4.340 0.000 0.000 0.252 1209 Q C 0.323 176.246 176.000 -0.128 0.000 0.915 1209 Q CA -0.752 54.980 55.803 -0.118 0.000 0.915 1209 Q CB 1.119 29.814 28.738 -0.070 0.000 1.204 1209 Q HN 0.906 nan 8.270 nan 0.000 0.421 1210 M N 0.376 119.902 119.600 -0.123 0.000 2.518 1210 M HA 0.660 5.140 4.480 0.000 0.000 0.300 1210 M C -1.420 174.793 176.300 -0.146 0.000 1.175 1210 M CA -0.631 54.588 55.300 -0.135 0.000 0.890 1210 M CB 2.780 35.265 32.600 -0.192 0.000 1.710 1210 M HN 0.476 nan 8.290 nan 0.000 0.453 1211 T N 1.982 116.439 114.554 -0.162 0.000 2.841 1211 T HA 0.684 5.034 4.350 0.000 0.000 0.283 1211 T C -0.865 173.651 174.700 -0.306 0.000 1.000 1211 T CA -0.617 61.358 62.100 -0.208 0.000 0.977 1211 T CB 2.001 70.798 68.868 -0.118 0.000 0.979 1211 T HN 0.559 nan 8.240 nan 0.000 0.446 1212 V N 2.314 121.958 119.914 -0.450 0.000 2.495 1212 V HA 0.911 5.031 4.120 0.000 0.000 0.298 1212 V C 0.009 175.943 176.094 -0.266 0.000 1.031 1212 V CA -0.891 61.139 62.300 -0.450 0.000 0.871 1212 V CB 1.334 32.709 31.823 -0.747 0.000 0.988 1212 V HN 1.046 nan 8.190 nan 0.000 0.432 1213 K N 1.429 121.732 120.400 -0.163 0.000 2.565 1213 K HA 0.585 4.905 4.320 0.000 0.000 0.249 1213 K C -0.079 176.512 176.600 -0.016 0.000 0.958 1213 K CA -0.429 55.817 56.287 -0.069 0.000 0.806 1213 K CB 0.982 33.449 32.500 -0.056 0.000 1.194 1213 K HN 0.723 nan 8.250 nan 0.000 0.434 1214 D N 0.520 120.931 120.400 0.018 0.000 2.837 1214 D HA -0.147 4.493 4.640 0.000 0.000 0.230 1214 D C -0.008 176.332 176.300 0.066 0.000 1.152 1214 D CA 0.812 54.838 54.000 0.043 0.000 0.736 1214 D CB -0.842 39.982 40.800 0.039 0.000 1.084 1214 D HN 0.645 nan 8.370 nan 0.000 0.429 1215 L N 0.826 122.094 121.223 0.075 0.000 2.410 1215 L HA 0.127 4.467 4.340 0.000 0.000 0.273 1215 L C 0.177 177.108 176.870 0.102 0.000 1.144 1215 L CA 0.773 55.682 54.840 0.115 0.000 0.863 1215 L CB 0.587 42.724 42.059 0.129 0.000 1.140 1215 L HN -0.101 nan 8.230 nan 0.000 0.463 1216 T N 4.206 118.816 114.554 0.093 0.000 2.841 1216 T HA 0.623 4.973 4.350 0.000 0.000 0.285 1216 T C -0.490 174.233 174.700 0.037 0.000 0.991 1216 T CA -0.491 61.645 62.100 0.059 0.000 0.966 1216 T CB 1.694 70.589 68.868 0.045 0.000 0.962 1216 T HN 0.675 nan 8.240 nan 0.000 0.438 1217 A N 3.707 126.534 122.820 0.011 0.000 2.331 1217 A HA 0.834 5.155 4.320 0.000 0.000 0.320 1217 A C -0.455 177.089 177.584 -0.067 0.000 1.138 1217 A CA -0.801 51.206 52.037 -0.050 0.000 0.790 1217 A CB 0.897 19.849 19.000 -0.081 0.000 1.206 1217 A HN 0.762 nan 8.150 nan 0.000 0.470 1218 K N 1.040 121.373 120.400 -0.112 0.000 2.477 1218 K HA 0.428 4.748 4.320 0.000 0.000 0.255 1218 K C -0.935 175.574 176.600 -0.152 0.000 0.952 1218 K CA -0.542 55.709 56.287 -0.060 0.000 0.826 1218 K CB 1.789 34.282 32.500 -0.011 0.000 1.331 1218 K HN 0.644 nan 8.250 nan 0.000 0.437 1219 Y N -0.144 120.152 120.300 -0.006 0.000 2.510 1219 Y HA 0.070 4.620 4.550 0.000 0.000 0.273 1219 Y C 1.000 176.894 175.900 -0.009 0.000 1.119 1219 Y CA 0.409 58.504 58.100 -0.008 0.000 1.286 1219 Y CB 1.402 39.858 38.460 -0.008 0.000 1.061 1219 Y HN 0.530 nan 8.280 nan 0.000 0.542 1220 T N -0.938 113.688 114.554 0.120 0.000 2.853 1220 T HA 0.254 4.604 4.350 0.000 0.000 0.311 1220 T C -1.601 173.120 174.700 0.035 0.000 1.307 1220 T CA -0.821 61.318 62.100 0.065 0.000 1.019 1220 T CB 1.419 70.326 68.868 0.064 0.000 1.264 1220 T HN -0.057 nan 8.240 nan 0.000 0.497 1221 E N 0.897 121.107 120.200 0.017 0.000 2.366 1221 E HA 0.452 4.803 4.350 0.000 0.000 0.266 1221 E C 1.278 177.886 176.600 0.014 0.000 1.015 1221 E CA 1.809 58.214 56.400 0.009 0.000 0.906 1221 E CB -0.052 29.648 29.700 0.001 0.000 0.979 1221 E HN 1.079 nan 8.360 nan 0.000 0.443 1222 G N 2.717 111.525 108.800 0.014 0.000 2.217 1222 G HA2 -0.221 3.739 3.960 0.000 0.000 0.246 1222 G HA3 -0.221 3.739 3.960 0.000 0.000 0.246 1222 G C 0.553 175.465 174.900 0.021 0.000 0.990 1222 G CA -0.177 44.932 45.100 0.014 0.000 0.627 1222 G HN 0.880 nan 8.290 nan 0.000 0.522 1223 G N 0.036 108.855 108.800 0.031 0.000 2.503 1223 G HA2 0.481 4.441 3.960 0.000 0.000 0.257 1223 G HA3 0.481 4.441 3.960 0.000 0.000 0.257 1223 G C 0.118 175.044 174.900 0.042 0.000 1.214 1223 G CA 0.091 45.217 45.100 0.044 0.000 0.839 1223 G HN 0.561 nan 8.290 nan 0.000 0.559 1224 N N -0.169 118.557 118.700 0.042 0.000 2.416 1224 N HA 0.348 5.088 4.740 0.000 0.000 0.246 1224 N C 0.456 175.995 175.510 0.049 0.000 1.260 1224 N CA 0.184 53.257 53.050 0.038 0.000 0.897 1224 N CB 0.700 39.206 38.487 0.033 0.000 1.110 1224 N HN 0.664 nan 8.380 nan 0.000 0.439 1225 A N 1.690 124.533 122.820 0.038 0.000 2.396 1225 A HA 0.175 4.495 4.320 0.000 0.000 0.279 1225 A C 0.793 178.403 177.584 0.044 0.000 1.165 1225 A CA -0.335 51.724 52.037 0.037 0.000 0.824 1225 A CB -0.243 18.775 19.000 0.030 0.000 1.100 1225 A HN 0.688 nan 8.150 nan 0.000 0.516 1226 I N 2.085 122.689 120.570 0.056 0.000 2.406 1226 I HA -0.003 4.167 4.170 0.000 0.000 0.249 1226 I C 0.383 176.524 176.117 0.040 0.000 1.122 1226 I CA 1.223 62.560 61.300 0.061 0.000 1.431 1226 I CB -0.176 37.892 38.000 0.114 0.000 1.087 1226 I HN 0.533 nan 8.210 nan 0.000 0.424 1227 L N 0.424 121.668 121.223 0.034 0.000 2.381 1227 L HA 0.509 4.849 4.340 0.000 0.000 0.274 1227 L C -0.558 176.341 176.870 0.048 0.000 0.988 1227 L CA -0.392 54.472 54.840 0.040 0.000 0.824 1227 L CB 2.038 44.120 42.059 0.039 0.000 1.263 1227 L HN -0.002 nan 8.230 nan 0.000 0.410 1228 E N 2.592 122.825 120.200 0.055 0.000 2.256 1228 E HA 0.311 4.662 4.350 0.000 0.000 0.268 1228 E C -0.705 175.932 176.600 0.063 0.000 0.877 1228 E CA -0.661 55.770 56.400 0.053 0.000 0.757 1228 E CB 1.232 30.958 29.700 0.042 0.000 1.183 1228 E HN 0.632 nan 8.360 nan 0.000 0.418 1229 N N 2.712 121.450 118.700 0.063 0.000 2.705 1229 N HA -0.216 4.524 4.740 0.000 0.000 0.255 1229 N C -0.793 174.769 175.510 0.085 0.000 1.008 1229 N CA 0.461 53.550 53.050 0.065 0.000 0.742 1229 N CB -0.927 37.591 38.487 0.052 0.000 0.906 1229 N HN 0.491 nan 8.380 nan 0.000 0.541 1230 I N 0.497 121.133 120.570 0.109 0.000 2.441 1230 I HA 0.141 4.311 4.170 0.000 0.000 0.287 1230 I C 0.177 176.384 176.117 0.151 0.000 1.049 1230 I CA 0.244 61.646 61.300 0.169 0.000 1.381 1230 I CB 0.980 39.116 38.000 0.227 0.000 1.409 1230 I HN 0.136 nan 8.210 nan 0.000 0.523 1231 S N 7.124 122.944 115.700 0.200 0.000 2.677 1231 S HA 0.688 5.158 4.470 0.000 0.000 0.283 1231 S C -0.860 173.893 174.600 0.255 0.000 1.159 1231 S CA -0.584 57.687 58.200 0.119 0.000 1.001 1231 S CB 1.346 64.588 63.200 0.070 0.000 1.032 1231 S HN 0.520 nan 8.310 nan 0.000 0.487 1232 F N -0.237 119.747 119.950 0.057 0.000 2.741 1232 F HA 0.850 5.378 4.527 0.000 0.000 0.311 1232 F C -0.836 174.988 175.800 0.040 0.000 1.149 1232 F CA -0.935 57.098 58.000 0.056 0.000 0.930 1232 F CB 0.760 39.810 39.000 0.084 0.000 1.312 1232 F HN 0.454 nan 8.300 nan 0.000 0.450 1233 S N 0.943 116.748 115.700 0.174 0.000 2.569 1233 S HA 0.891 5.361 4.470 0.000 0.000 0.280 1233 S C -1.447 173.252 174.600 0.165 0.000 1.111 1233 S CA -0.764 57.466 58.200 0.049 0.000 0.887 1233 S CB 2.036 65.235 63.200 -0.002 0.000 1.095 1233 S HN 0.821 nan 8.310 nan 0.000 0.476 1234 I N 1.894 122.518 120.570 0.089 0.000 2.478 1234 I HA 0.340 4.510 4.170 0.000 0.000 0.287 1234 I C -0.075 176.051 176.117 0.015 0.000 1.042 1234 I CA -0.556 60.795 61.300 0.085 0.000 1.067 1234 I CB 2.367 40.435 38.000 0.114 0.000 1.233 1234 I HN 0.662 nan 8.210 nan 0.000 0.431 1235 S N 6.958 122.666 115.700 0.014 0.000 2.584 1235 S HA 0.246 4.716 4.470 0.000 0.000 0.270 1235 S C -2.286 172.298 174.600 -0.027 0.000 1.346 1235 S CA -0.788 57.407 58.200 -0.007 0.000 1.018 1235 S CB 0.002 63.203 63.200 0.002 0.000 0.899 1235 S HN 0.421 nan 8.310 nan 0.000 0.542 1236 P HA 0.206 nan 4.420 nan 0.000 0.271 1236 P C 0.788 178.064 177.300 -0.040 0.000 1.218 1236 P CA 0.423 63.490 63.100 -0.056 0.000 0.780 1236 P CB 0.197 31.861 31.700 -0.060 0.000 0.901 1237 G N 0.539 109.313 108.800 -0.044 0.000 2.162 1237 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 1237 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 1237 G C 0.155 175.040 174.900 -0.024 0.000 0.976 1237 G CA -0.227 44.855 45.100 -0.029 0.000 0.655 1237 G HN 0.589 nan 8.290 nan 0.000 0.533 1238 Q N 0.076 119.860 119.800 -0.027 0.000 2.288 1238 Q HA 0.288 4.628 4.340 0.000 0.000 0.258 1238 Q C 0.584 176.562 176.000 -0.036 0.000 0.957 1238 Q CA -0.313 55.473 55.803 -0.028 0.000 0.919 1238 Q CB 1.055 29.782 28.738 -0.017 0.000 1.185 1238 Q HN 0.507 nan 8.270 nan 0.000 0.408 1239 R N 2.527 122.997 120.500 -0.051 0.000 2.220 1239 R HA 0.307 4.647 4.340 0.000 0.000 0.340 1239 R C -0.956 175.268 176.300 -0.126 0.000 1.076 1239 R CA -0.188 55.873 56.100 -0.065 0.000 0.920 1239 R CB 0.290 30.556 30.300 -0.056 0.000 1.062 1239 R HN 0.271 nan 8.270 nan 0.000 0.469 1240 V N 3.588 123.444 119.914 -0.096 0.000 2.435 1240 V HA 0.473 4.593 4.120 0.000 0.000 0.290 1240 V C 0.706 176.729 176.094 -0.118 0.000 1.030 1240 V CA -0.875 61.345 62.300 -0.134 0.000 0.881 1240 V CB 1.747 33.550 31.823 -0.033 0.000 0.983 1240 V HN 0.883 nan 8.190 nan 0.000 0.445 1241 G N 3.582 112.247 108.800 -0.224 0.000 2.332 1241 G HA2 0.570 4.530 3.960 0.000 0.000 0.310 1241 G HA3 0.570 4.530 3.960 0.000 0.000 0.310 1241 G C -1.149 173.842 174.900 0.151 0.000 1.123 1241 G CA -0.372 44.747 45.100 0.031 0.000 0.873 1241 G HN 0.601 nan 8.290 nan 0.000 0.460 1242 L N 4.094 125.395 121.223 0.130 0.000 2.294 1242 L HA 0.754 5.094 4.340 0.000 0.000 0.283 1242 L C -0.455 176.452 176.870 0.061 0.000 1.015 1242 L CA -0.821 54.069 54.840 0.083 0.000 0.831 1242 L CB 1.080 43.174 42.059 0.058 0.000 1.217 1242 L HN 0.521 nan 8.230 nan 0.000 0.420 1243 L N 2.745 123.974 121.223 0.011 0.000 2.371 1243 L HA 1.170 5.511 4.340 0.000 0.000 0.262 1243 L C -0.192 176.601 176.870 -0.128 0.000 1.006 1243 L CA -0.578 54.202 54.840 -0.101 0.000 0.818 1243 L CB 2.116 44.001 42.059 -0.290 0.000 1.354 1243 L HN 0.674 nan 8.230 nan 0.000 0.415 1244 G N 0.443 109.119 108.800 -0.206 0.000 2.616 1244 G HA2 0.365 4.325 3.960 0.000 0.000 0.294 1244 G HA3 0.365 4.325 3.960 0.000 0.000 0.294 1244 G C -1.760 172.579 174.900 -0.934 0.000 1.489 1244 G CA -1.151 43.743 45.100 -0.343 0.000 0.836 1244 G HN 0.914 nan 8.290 nan 0.000 0.527 1245 R N 0.543 120.422 120.500 -1.036 0.000 2.523 1245 R HA 0.205 4.545 4.340 0.000 0.000 0.281 1245 R C 0.756 176.614 176.300 -0.736 0.000 0.969 1245 R CA 0.669 56.040 56.100 -1.216 0.000 1.093 1245 R CB 0.160 30.162 30.300 -0.497 0.000 0.917 1245 R HN 0.566 nan 8.270 nan 0.000 0.408 1246 T N 3.336 117.503 114.554 -0.645 0.000 2.800 1246 T HA 0.102 4.452 4.350 0.000 0.000 0.283 1246 T C 1.166 175.746 174.700 -0.201 0.000 0.999 1246 T CA 1.540 63.461 62.100 -0.298 0.000 1.176 1246 T CB -0.250 68.531 68.868 -0.146 0.000 0.973 1246 T HN 0.927 nan 8.240 nan 0.000 0.519 1247 G N 3.285 111.996 108.800 -0.149 0.000 2.141 1247 G HA2 -0.313 3.648 3.960 0.000 0.000 0.242 1247 G HA3 -0.313 3.648 3.960 0.000 0.000 0.242 1247 G C 1.018 175.861 174.900 -0.095 0.000 0.982 1247 G CA 0.848 45.887 45.100 -0.102 0.000 0.662 1247 G HN 1.413 nan 8.290 nan 0.000 0.527 1248 S N -0.988 114.635 115.700 -0.129 0.000 2.446 1248 S HA 0.435 4.905 4.470 0.000 0.000 0.225 1248 S C 1.888 176.455 174.600 -0.054 0.000 1.016 1248 S CA 1.347 59.484 58.200 -0.104 0.000 0.943 1248 S CB 0.430 63.538 63.200 -0.154 0.000 0.786 1248 S HN 2.276 nan 8.310 nan 0.000 0.508 1249 G N 0.829 109.601 108.800 -0.047 0.000 2.165 1249 G HA2 -0.103 3.857 3.960 0.000 0.000 0.144 1249 G HA3 -0.103 3.857 3.960 0.000 0.000 0.144 1249 G C 0.440 175.325 174.900 -0.026 0.000 1.049 1249 G CA 0.019 45.114 45.100 -0.009 0.000 0.741 1249 G HN 0.371 nan 8.290 nan 0.000 0.493 1250 K N 0.386 120.762 120.400 -0.039 0.000 2.026 1250 K HA 0.004 4.324 4.320 0.000 0.000 0.208 1250 K C 2.559 179.144 176.600 -0.024 0.000 1.048 1250 K CA 1.750 58.016 56.287 -0.036 0.000 0.929 1250 K CB -0.157 32.326 32.500 -0.029 0.000 0.713 1250 K HN 0.242 nan 8.250 nan 0.000 0.439 1251 S N 0.223 115.925 115.700 0.004 0.000 2.428 1251 S HA -0.077 4.393 4.470 0.000 0.000 0.230 1251 S C 1.853 176.465 174.600 0.020 0.000 1.014 1251 S CA 1.317 59.531 58.200 0.023 0.000 0.957 1251 S CB -0.197 63.031 63.200 0.048 0.000 0.784 1251 S HN 0.344 nan 8.310 nan 0.000 0.499 1252 T N 2.905 117.484 114.554 0.042 0.000 2.708 1252 T HA -0.002 4.348 4.350 0.000 0.000 0.266 1252 T C 1.722 176.354 174.700 -0.114 0.000 1.037 1252 T CA 0.777 62.898 62.100 0.034 0.000 1.146 1252 T CB -0.407 68.516 68.868 0.092 0.000 0.865 1252 T HN 0.229 nan 8.240 nan 0.000 0.435 1253 L N 0.692 121.817 121.223 -0.163 0.000 2.012 1253 L HA -0.082 4.258 4.340 0.000 0.000 0.210 1253 L C 2.366 178.812 176.870 -0.707 0.000 1.073 1253 L CA 1.617 56.239 54.840 -0.364 0.000 0.748 1253 L CB -0.419 41.472 42.059 -0.281 0.000 0.891 1253 L HN 0.334 nan 8.230 nan 0.000 0.431 1254 L N -1.361 119.618 121.223 -0.408 0.000 2.093 1254 L HA -0.184 4.156 4.340 0.000 0.000 0.208 1254 L C 2.553 179.327 176.870 -0.159 0.000 1.085 1254 L CA 1.023 55.702 54.840 -0.269 0.000 0.755 1254 L CB -0.523 41.523 42.059 -0.023 0.000 0.904 1254 L HN 0.186 nan 8.230 nan 0.000 0.435 1255 S N -0.088 115.544 115.700 -0.114 0.000 2.406 1255 S HA -0.044 4.426 4.470 0.000 0.000 0.228 1255 S C 2.175 176.749 174.600 -0.044 0.000 1.020 1255 S CA 0.978 59.151 58.200 -0.044 0.000 0.965 1255 S CB -0.059 63.137 63.200 -0.006 0.000 0.798 1255 S HN 0.469 nan 8.310 nan 0.000 0.488 1256 A N 0.862 123.615 122.820 -0.112 0.000 1.930 1256 A HA 0.029 4.349 4.320 0.000 0.000 0.217 1256 A C 1.779 179.529 177.584 0.278 0.000 1.175 1256 A CA 0.969 53.009 52.037 0.005 0.000 0.627 1256 A CB -0.898 18.073 19.000 -0.049 0.000 0.815 1256 A HN 0.561 nan 8.150 nan 0.000 0.443 1257 F N -0.244 119.811 119.950 0.175 0.000 2.161 1257 F HA -0.159 4.368 4.527 0.000 0.000 0.300 1257 F C 1.581 177.533 175.800 0.254 0.000 1.089 1257 F CA 0.691 58.807 58.000 0.193 0.000 1.282 1257 F CB -0.178 38.766 39.000 -0.095 0.000 1.010 1257 F HN 0.106 nan 8.300 nan 0.000 0.485 1258 L N -0.156 121.205 121.223 0.230 0.000 2.629 1258 L HA 0.165 4.505 4.340 0.000 0.000 0.230 1258 L C 0.370 177.380 176.870 0.234 0.000 1.151 1258 L CA 0.036 55.000 54.840 0.206 0.000 0.924 1258 L CB -0.304 41.776 42.059 0.035 0.000 1.137 1258 L HN 0.055 nan 8.230 nan 0.000 0.457 1259 R N -0.578 120.037 120.500 0.193 0.000 3.416 1259 R HA -0.204 4.136 4.340 0.000 0.000 0.263 1259 R C 0.516 176.801 176.300 -0.025 0.000 1.053 1259 R CA 0.077 56.164 56.100 -0.021 0.000 0.705 1259 R CB -1.807 28.369 30.300 -0.207 0.000 1.124 1259 R HN 0.217 nan 8.270 nan 0.000 0.444 1260 L N 0.028 121.252 121.223 0.001 0.000 2.591 1260 L HA 0.228 4.568 4.340 0.000 0.000 0.228 1260 L C 0.962 177.807 176.870 -0.043 0.000 1.133 1260 L CA 1.116 55.958 54.840 0.002 0.000 0.880 1260 L CB -0.089 41.992 42.059 0.037 0.000 1.033 1260 L HN 0.400 nan 8.230 nan 0.000 0.450 1261 L N -4.842 116.313 121.223 -0.112 0.000 2.479 1261 L HA 0.515 4.856 4.340 0.000 0.000 0.255 1261 L C -0.435 176.330 176.870 -0.174 0.000 1.026 1261 L CA -1.057 53.673 54.840 -0.183 0.000 0.842 1261 L CB 1.290 43.084 42.059 -0.442 0.000 1.444 1261 L HN -0.199 nan 8.230 nan 0.000 0.409 1262 N N 0.333 118.939 118.700 -0.156 0.000 2.301 1262 N HA 0.167 4.907 4.740 0.000 0.000 0.267 1262 N C -0.946 174.490 175.510 -0.123 0.000 1.304 1262 N CA 0.657 53.632 53.050 -0.125 0.000 0.851 1262 N CB 0.299 38.735 38.487 -0.085 0.000 1.070 1262 N HN 0.583 nan 8.380 nan 0.000 0.483 1263 T N 1.054 115.530 114.554 -0.131 0.000 2.879 1263 T HA 0.514 4.864 4.350 0.000 0.000 0.290 1263 T C -0.098 174.562 174.700 -0.066 0.000 0.993 1263 T CA -0.608 61.438 62.100 -0.091 0.000 0.975 1263 T CB 1.403 70.171 68.868 -0.168 0.000 0.981 1263 T HN 0.549 nan 8.240 nan 0.000 0.439 1264 E N 0.793 121.005 120.200 0.019 0.000 2.221 1264 E HA 0.859 5.209 4.350 0.000 0.000 0.268 1264 E C 0.460 177.147 176.600 0.146 0.000 0.933 1264 E CA -0.429 56.000 56.400 0.048 0.000 0.809 1264 E CB 1.345 31.063 29.700 0.029 0.000 1.190 1264 E HN 1.412 nan 8.360 nan 0.000 0.406 1265 G N -1.360 107.536 108.800 0.160 0.000 2.549 1265 G HA2 0.497 4.457 3.960 0.000 0.000 0.404 1265 G HA3 0.497 4.457 3.960 0.000 0.000 0.404 1265 G C -0.040 175.055 174.900 0.326 0.000 1.292 1265 G CA 0.473 45.686 45.100 0.189 0.000 0.935 1265 G HN 1.696 nan 8.290 nan 0.000 0.512 1266 E N -1.054 119.228 120.200 0.138 0.000 2.248 1266 E HA 0.781 5.131 4.350 0.000 0.000 0.267 1266 E C -0.442 175.866 176.600 -0.487 0.000 0.877 1266 E CA -0.342 56.041 56.400 -0.028 0.000 0.759 1266 E CB 1.745 31.439 29.700 -0.009 0.000 1.182 1266 E HN 1.184 nan 8.360 nan 0.000 0.418 1267 I N 1.853 121.704 120.570 -1.198 0.000 2.533 1267 I HA 0.355 4.525 4.170 0.000 0.000 0.290 1267 I C -0.390 175.443 176.117 -0.474 0.000 1.056 1267 I CA -0.765 59.990 61.300 -0.908 0.000 1.057 1267 I CB 2.354 39.705 38.000 -1.082 0.000 1.240 1267 I HN 0.560 nan 8.210 nan 0.000 0.423 1268 Q N 6.233 125.961 119.800 -0.120 0.000 2.340 1268 Q HA 0.637 4.977 4.340 0.000 0.000 0.268 1268 Q C -1.161 174.928 176.000 0.148 0.000 1.031 1268 Q CA -0.675 55.186 55.803 0.097 0.000 0.804 1268 Q CB 3.360 32.117 28.738 0.032 0.000 1.286 1268 Q HN 0.537 nan 8.270 nan 0.000 0.448 1269 I N 2.732 123.474 120.570 0.287 0.000 2.355 1269 I HA 0.164 4.334 4.170 0.000 0.000 0.288 1269 I C -0.471 175.776 176.117 0.216 0.000 0.999 1269 I CA -0.426 60.933 61.300 0.098 0.000 1.163 1269 I CB 1.383 39.287 38.000 -0.161 0.000 1.316 1269 I HN 0.636 nan 8.210 nan 0.000 0.454 1270 D N 5.489 125.929 120.400 0.067 0.000 2.751 1270 D HA -0.208 4.432 4.640 0.000 0.000 0.233 1270 D C 1.138 177.538 176.300 0.167 0.000 1.149 1270 D CA 1.477 55.533 54.000 0.093 0.000 0.682 1270 D CB -0.894 39.941 40.800 0.058 0.000 1.068 1270 D HN 1.162 nan 8.370 nan 0.000 0.429 1271 G N -2.121 106.757 108.800 0.131 0.000 2.253 1271 G HA2 -0.348 3.612 3.960 0.000 0.000 0.251 1271 G HA3 -0.348 3.612 3.960 0.000 0.000 0.251 1271 G C 0.413 175.388 174.900 0.126 0.000 0.998 1271 G CA 0.197 45.360 45.100 0.106 0.000 0.621 1271 G HN 0.599 nan 8.290 nan 0.000 0.524 1272 V N 2.112 122.152 119.914 0.211 0.000 2.408 1272 V HA 0.599 4.719 4.120 0.000 0.000 0.267 1272 V C 1.039 177.283 176.094 0.251 0.000 1.047 1272 V CA 0.406 62.802 62.300 0.160 0.000 0.937 1272 V CB 1.296 33.117 31.823 -0.003 0.000 0.999 1272 V HN 0.534 nan 8.190 nan 0.000 0.472 1273 S N 5.339 121.129 115.700 0.150 0.000 2.592 1273 S HA 0.160 4.630 4.470 0.000 0.000 0.271 1273 S C 0.786 175.499 174.600 0.189 0.000 1.326 1273 S CA -0.492 57.793 58.200 0.142 0.000 1.024 1273 S CB 0.468 63.724 63.200 0.093 0.000 0.921 1273 S HN 0.834 nan 8.310 nan 0.000 0.527 1274 W N 2.493 123.624 121.300 -0.282 0.000 2.905 1274 W HA 0.326 4.987 4.660 0.000 0.000 0.251 1274 W C -0.049 176.254 176.519 -0.360 0.000 1.305 1274 W CA -0.058 56.897 57.345 -0.651 0.000 1.465 1274 W CB -1.097 27.373 29.460 -1.650 0.000 1.122 1274 W HN 0.487 nan 8.180 nan 0.000 0.659 1275 D N 0.562 121.041 120.400 0.132 0.000 2.460 1275 D HA 0.030 4.670 4.640 0.000 0.000 0.229 1275 D C 1.462 177.753 176.300 -0.014 0.000 1.170 1275 D CA 0.800 54.778 54.000 -0.036 0.000 0.827 1275 D CB -0.002 40.798 40.800 0.001 0.000 0.973 1275 D HN 0.310 nan 8.370 nan 0.000 0.496 1276 S N -1.219 114.481 115.700 -0.000 0.000 2.679 1276 S HA 0.179 4.650 4.470 0.000 0.000 0.258 1276 S C 0.606 175.188 174.600 -0.030 0.000 1.068 1276 S CA -0.478 57.714 58.200 -0.014 0.000 1.115 1276 S CB 0.179 63.376 63.200 -0.006 0.000 1.078 1276 S HN 0.232 nan 8.310 nan 0.000 0.603 1277 I N -0.955 119.606 120.570 -0.014 0.000 3.322 1277 I HA 0.662 4.832 4.170 0.000 0.000 0.313 1277 I C -0.719 175.410 176.117 0.021 0.000 1.129 1277 I CA -1.235 60.059 61.300 -0.009 0.000 0.963 1277 I CB 1.235 39.214 38.000 -0.036 0.000 1.273 1277 I HN -0.236 nan 8.210 nan 0.000 0.473 1278 T N 2.046 116.627 114.554 0.045 0.000 2.918 1278 T HA 0.313 4.663 4.350 0.000 0.000 0.302 1278 T C 1.405 176.186 174.700 0.135 0.000 1.045 1278 T CA -0.363 61.771 62.100 0.058 0.000 1.114 1278 T CB 1.029 69.930 68.868 0.055 0.000 0.965 1278 T HN 0.488 nan 8.240 nan 0.000 0.540 1279 L N 1.726 123.004 121.223 0.091 0.000 2.051 1279 L HA -0.186 4.154 4.340 0.000 0.000 0.214 1279 L C 3.234 180.255 176.870 0.252 0.000 1.076 1279 L CA 2.242 57.173 54.840 0.153 0.000 0.758 1279 L CB -1.151 40.943 42.059 0.058 0.000 0.890 1279 L HN 0.916 nan 8.230 nan 0.000 0.433 1280 E N 0.064 120.367 120.200 0.173 0.000 2.110 1280 E HA -0.255 4.095 4.350 0.000 0.000 0.193 1280 E C 2.023 178.757 176.600 0.223 0.000 0.988 1280 E CA 1.546 58.050 56.400 0.174 0.000 0.804 1280 E CB -0.648 29.117 29.700 0.108 0.000 0.745 1280 E HN 0.694 nan 8.360 nan 0.000 0.458 1281 Q N -1.520 118.415 119.800 0.224 0.000 2.049 1281 Q HA -0.069 4.271 4.340 0.000 0.000 0.198 1281 Q C 2.251 178.490 176.000 0.400 0.000 0.971 1281 Q CA 1.178 57.127 55.803 0.243 0.000 0.833 1281 Q CB -0.234 28.587 28.738 0.138 0.000 0.896 1281 Q HN 0.842 nan 8.270 nan 0.000 0.434 1282 W N 1.921 123.378 121.300 0.262 0.000 2.338 1282 W HA -0.199 4.461 4.660 0.000 0.000 0.304 1282 W C 1.733 178.572 176.519 0.533 0.000 1.212 1282 W CA 1.319 58.930 57.345 0.444 0.000 1.264 1282 W CB -0.068 29.624 29.460 0.387 0.000 1.142 1282 W HN 0.064 nan 8.180 nan 0.000 0.512 1283 R N 1.098 121.918 120.500 0.534 0.000 2.120 1283 R HA -0.150 4.190 4.340 0.000 0.000 0.234 1283 R C 2.686 179.180 176.300 0.323 0.000 1.123 1283 R CA 2.953 59.312 56.100 0.431 0.000 0.975 1283 R CB -0.672 29.831 30.300 0.339 0.000 0.866 1283 R HN 0.130 nan 8.270 nan 0.000 0.446 1284 K N -0.166 120.392 120.400 0.262 0.000 2.362 1284 K HA 0.092 4.412 4.320 0.000 0.000 0.200 1284 K C 1.929 178.560 176.600 0.052 0.000 1.046 1284 K CA 1.312 57.708 56.287 0.182 0.000 0.952 1284 K CB -0.726 31.898 32.500 0.208 0.000 0.753 1284 K HN 0.411 nan 8.250 nan 0.000 0.466 1285 A N -0.001 122.761 122.820 -0.097 0.000 2.015 1285 A HA 0.309 4.629 4.320 0.000 0.000 0.219 1285 A C 0.785 178.040 177.584 -0.549 0.000 1.163 1285 A CA 0.411 52.119 52.037 -0.548 0.000 0.646 1285 A CB -0.216 18.147 19.000 -1.062 0.000 0.806 1285 A HN 0.457 nan 8.150 nan 0.000 0.448 1286 F N -0.728 119.108 119.950 -0.189 0.000 2.377 1286 F HA 0.551 5.078 4.527 0.000 0.000 0.328 1286 F C 0.946 176.696 175.800 -0.084 0.000 1.094 1286 F CA -0.211 57.706 58.000 -0.138 0.000 1.093 1286 F CB 1.330 40.286 39.000 -0.074 0.000 1.214 1286 F HN 0.066 nan 8.300 nan 0.000 0.518 1287 G N 1.064 109.905 108.800 0.069 0.000 2.478 1287 G HA2 0.574 4.535 3.960 0.000 0.000 0.317 1287 G HA3 0.574 4.535 3.960 0.000 0.000 0.317 1287 G C -1.833 173.078 174.900 0.018 0.000 1.259 1287 G CA -0.602 44.482 45.100 -0.027 0.000 0.933 1287 G HN 0.476 nan 8.290 nan 0.000 0.478 1288 V N 3.680 123.620 119.914 0.044 0.000 2.378 1288 V HA 0.499 4.619 4.120 0.000 0.000 0.288 1288 V C -0.320 175.797 176.094 0.038 0.000 1.016 1288 V CA -0.500 61.833 62.300 0.056 0.000 0.840 1288 V CB 1.061 32.929 31.823 0.074 0.000 0.994 1288 V HN 0.639 nan 8.190 nan 0.000 0.431 1289 I N 7.543 128.139 120.570 0.044 0.000 2.478 1289 I HA 0.462 4.633 4.170 0.000 0.000 0.287 1289 I C -2.470 173.704 176.117 0.095 0.000 1.042 1289 I CA -1.926 59.410 61.300 0.060 0.000 1.067 1289 I CB 2.874 40.908 38.000 0.056 0.000 1.233 1289 I HN 0.414 nan 8.210 nan 0.000 0.431 1290 P HA 0.203 nan 4.420 nan 0.000 0.276 1290 P C -1.385 175.932 177.300 0.029 0.000 1.244 1290 P CA -0.443 62.699 63.100 0.070 0.000 0.801 1290 P CB 1.403 33.165 31.700 0.102 0.000 1.006 1291 Q N 0.484 120.281 119.800 -0.004 0.000 2.399 1291 Q HA 0.257 4.598 4.340 0.000 0.000 0.276 1291 Q C -0.502 175.445 176.000 -0.088 0.000 1.098 1291 Q CA -1.010 54.783 55.803 -0.017 0.000 0.827 1291 Q CB 1.538 30.285 28.738 0.015 0.000 1.386 1291 Q HN 0.185 nan 8.270 nan 0.000 0.443 1292 K N 1.964 122.289 120.400 -0.125 0.000 2.395 1292 K HA 0.099 4.419 4.320 0.000 0.000 0.283 1292 K C -0.943 175.382 176.600 -0.459 0.000 1.068 1292 K CA 0.112 56.201 56.287 -0.330 0.000 1.039 1292 K CB 0.057 32.312 32.500 -0.409 0.000 0.924 1292 K HN 0.397 nan 8.250 nan 0.000 0.468 1293 V N 5.632 125.312 119.914 -0.391 0.000 2.470 1293 V HA 0.081 4.201 4.120 0.000 0.000 0.276 1293 V C 0.541 176.417 176.094 -0.363 0.000 1.040 1293 V CA 0.090 62.226 62.300 -0.274 0.000 1.008 1293 V CB -0.283 31.426 31.823 -0.190 0.000 0.990 1293 V HN 0.498 nan 8.190 nan 0.000 0.477 1294 F N 4.487 124.435 119.950 -0.003 0.000 2.798 1294 F HA 0.479 5.006 4.527 0.000 0.000 0.333 1294 F C 0.679 176.465 175.800 -0.023 0.000 1.324 1294 F CA -0.453 57.559 58.000 0.022 0.000 1.183 1294 F CB 0.476 39.520 39.000 0.075 0.000 1.132 1294 F HN 0.358 nan 8.300 nan 0.000 0.521 1295 I N 3.184 123.765 120.570 0.018 0.000 2.576 1295 I HA -0.061 4.109 4.170 0.000 0.000 0.288 1295 I C 0.390 176.432 176.117 -0.124 0.000 1.126 1295 I CA -0.089 61.097 61.300 -0.190 0.000 1.362 1295 I CB -0.401 37.483 38.000 -0.193 0.000 1.419 1295 I HN 0.179 nan 8.210 nan 0.000 0.533 1296 F N 3.688 123.661 119.950 0.040 0.000 2.390 1296 F HA 0.385 4.912 4.527 0.000 0.000 0.307 1296 F C 0.923 176.705 175.800 -0.031 0.000 1.227 1296 F CA -0.927 57.080 58.000 0.013 0.000 1.179 1296 F CB 0.145 39.151 39.000 0.009 0.000 1.280 1296 F HN 0.234 nan 8.300 nan 0.000 0.548 1297 S N 0.622 116.477 115.700 0.259 0.000 2.488 1297 S HA 0.572 5.042 4.470 0.000 0.000 0.278 1297 S C 0.036 174.743 174.600 0.178 0.000 1.259 1297 S CA 0.449 58.715 58.200 0.110 0.000 1.061 1297 S CB -0.703 62.532 63.200 0.058 0.000 0.910 1297 S HN 1.299 nan 8.310 nan 0.000 0.491 1298 G N 2.825 111.640 108.800 0.026 0.000 2.327 1298 G HA2 0.310 4.270 3.960 0.000 0.000 0.291 1298 G HA3 0.310 4.270 3.960 0.000 0.000 0.291 1298 G C -0.452 174.386 174.900 -0.103 0.000 1.290 1298 G CA -0.199 44.922 45.100 0.034 0.000 0.857 1298 G HN 0.906 nan 8.290 nan 0.000 0.520 1299 T N -1.591 112.933 114.554 -0.050 0.000 2.788 1299 T HA 0.474 4.824 4.350 0.000 0.000 0.287 1299 T C 1.205 175.850 174.700 -0.092 0.000 1.007 1299 T CA 0.102 62.157 62.100 -0.075 0.000 1.005 1299 T CB 0.849 69.732 68.868 0.026 0.000 1.012 1299 T HN 0.377 nan 8.240 nan 0.000 0.530 1300 F N 0.023 119.950 119.950 -0.038 0.000 2.161 1300 F HA -0.031 4.496 4.527 0.000 0.000 0.300 1300 F C 3.028 178.771 175.800 -0.096 0.000 1.089 1300 F CA 1.452 59.402 58.000 -0.084 0.000 1.282 1300 F CB -0.187 38.758 39.000 -0.092 0.000 1.010 1300 F HN 0.563 nan 8.300 nan 0.000 0.485 1301 R N 0.594 121.169 120.500 0.124 0.000 2.091 1301 R HA -0.175 4.165 4.340 0.000 0.000 0.238 1301 R C 2.310 178.661 176.300 0.085 0.000 1.136 1301 R CA 1.314 57.447 56.100 0.057 0.000 0.959 1301 R CB -0.110 30.222 30.300 0.053 0.000 0.856 1301 R HN 0.037 nan 8.270 nan 0.000 0.437 1302 K N 0.374 120.841 120.400 0.112 0.000 2.057 1302 K HA -0.052 4.268 4.320 0.000 0.000 0.206 1302 K C 1.616 178.363 176.600 0.245 0.000 1.050 1302 K CA 1.099 57.517 56.287 0.217 0.000 0.935 1302 K CB -0.231 32.455 32.500 0.310 0.000 0.715 1302 K HN 0.298 nan 8.250 nan 0.000 0.439 1303 N N 0.814 119.496 118.700 -0.030 0.000 2.512 1303 N HA -0.051 4.690 4.740 0.000 0.000 0.183 1303 N C 1.773 177.248 175.510 -0.060 0.000 1.073 1303 N CA 0.536 53.411 53.050 -0.292 0.000 0.911 1303 N CB 0.228 38.432 38.487 -0.473 0.000 0.964 1303 N HN 0.175 nan 8.380 nan 0.000 0.447 1304 L N -0.505 120.732 121.223 0.025 0.000 2.221 1304 L HA 0.090 4.430 4.340 0.000 0.000 0.202 1304 L C 0.222 177.130 176.870 0.063 0.000 1.074 1304 L CA 0.541 55.397 54.840 0.026 0.000 0.795 1304 L CB 0.198 42.247 42.059 -0.017 0.000 0.960 1304 L HN -0.107 nan 8.230 nan 0.000 0.458 1305 D N -0.684 119.778 120.400 0.104 0.000 2.408 1305 D HA 0.203 4.843 4.640 0.000 0.000 0.261 1305 D C -1.953 174.459 176.300 0.187 0.000 1.190 1305 D CA -2.060 52.037 54.000 0.162 0.000 0.910 1305 D CB 1.473 42.386 40.800 0.188 0.000 1.097 1305 D HN -0.188 nan 8.370 nan 0.000 0.522 1306 P HA -0.108 nan 4.420 nan 0.000 0.216 1306 P C 0.164 177.525 177.300 0.103 0.000 1.150 1306 P CA 0.930 64.151 63.100 0.202 0.000 0.837 1306 P CB 0.292 32.098 31.700 0.177 0.000 0.786 1307 N N -1.153 117.607 118.700 0.100 0.000 2.547 1307 N HA 0.295 5.035 4.740 0.000 0.000 0.301 1307 N C 0.700 176.243 175.510 0.055 0.000 1.328 1307 N CA -0.086 52.998 53.050 0.057 0.000 0.932 1307 N CB 0.071 38.584 38.487 0.042 0.000 1.104 1307 N HN -0.151 nan 8.380 nan 0.000 0.548 1308 A N -0.620 122.213 122.820 0.021 0.000 2.465 1308 A HA 0.415 4.735 4.320 0.000 0.000 0.255 1308 A C 1.358 178.923 177.584 -0.032 0.000 1.274 1308 A CA 0.106 52.151 52.037 0.013 0.000 0.920 1308 A CB -0.371 18.632 19.000 0.006 0.000 1.033 1308 A HN 0.595 nan 8.150 nan 0.000 0.516 1309 A N -0.182 122.583 122.820 -0.092 0.000 2.172 1309 A HA 0.055 4.375 4.320 0.000 0.000 0.216 1309 A C 0.758 178.010 177.584 -0.554 0.000 1.154 1309 A CA 0.728 52.573 52.037 -0.320 0.000 0.701 1309 A CB -0.311 18.445 19.000 -0.407 0.000 0.789 1309 A HN 0.578 nan 8.150 nan 0.000 0.465 1310 H N -0.626 118.462 119.070 0.030 0.000 2.771 1310 H HA 0.394 4.950 4.556 0.000 0.000 0.361 1310 H C -0.443 174.902 175.328 0.028 0.000 1.108 1310 H CA -0.187 55.877 56.048 0.027 0.000 1.201 1310 H CB 1.743 31.518 29.762 0.022 0.000 1.681 1310 H HN 0.302 nan 8.280 nan 0.000 0.534 1311 S N 0.988 116.773 115.700 0.142 0.000 2.652 1311 S HA 0.068 4.538 4.470 0.000 0.000 0.270 1311 S C 0.610 175.276 174.600 0.110 0.000 1.243 1311 S CA -0.538 57.725 58.200 0.105 0.000 0.999 1311 S CB 1.377 64.630 63.200 0.088 0.000 0.973 1311 S HN 0.467 nan 8.310 nan 0.000 0.544 1312 D N 1.257 121.725 120.400 0.114 0.000 2.190 1312 D HA -0.054 4.586 4.640 0.000 0.000 0.200 1312 D C 2.556 179.013 176.300 0.263 0.000 0.992 1312 D CA 2.129 56.224 54.000 0.158 0.000 0.854 1312 D CB -0.521 40.415 40.800 0.227 0.000 0.936 1312 D HN 0.782 nan 8.370 nan 0.000 0.462 1313 Q N 0.929 120.847 119.800 0.197 0.000 2.046 1313 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 1313 Q C 1.906 178.003 176.000 0.161 0.000 0.975 1313 Q CA 1.787 57.697 55.803 0.179 0.000 0.836 1313 Q CB -0.993 27.813 28.738 0.112 0.000 0.896 1313 Q HN 0.708 nan 8.270 nan 0.000 0.428 1314 E N -0.795 119.480 120.200 0.124 0.000 2.299 1314 E HA 0.050 4.401 4.350 0.000 0.000 0.193 1314 E C 1.976 178.606 176.600 0.049 0.000 0.998 1314 E CA 0.675 57.130 56.400 0.092 0.000 0.851 1314 E CB -0.086 29.679 29.700 0.109 0.000 0.795 1314 E HN 0.634 nan 8.360 nan 0.000 0.492 1315 I N 0.282 120.873 120.570 0.035 0.000 2.233 1315 I HA -0.159 4.011 4.170 0.000 0.000 0.243 1315 I C 1.942 178.012 176.117 -0.078 0.000 1.093 1315 I CA 1.169 62.425 61.300 -0.075 0.000 1.380 1315 I CB -0.242 37.675 38.000 -0.138 0.000 1.067 1315 I HN 0.129 nan 8.210 nan 0.000 0.413 1316 W N 1.267 122.562 121.300 -0.009 0.000 2.392 1316 W HA -0.191 4.469 4.660 0.000 0.000 0.279 1316 W C 2.659 179.161 176.519 -0.029 0.000 1.225 1316 W CA 0.696 58.028 57.345 -0.022 0.000 1.233 1316 W CB -0.039 29.412 29.460 -0.015 0.000 1.122 1316 W HN -0.008 nan 8.180 nan 0.000 0.561 1317 K N 0.435 120.953 120.400 0.196 0.000 2.025 1317 K HA -0.159 4.161 4.320 0.000 0.000 0.207 1317 K C 1.641 178.271 176.600 0.050 0.000 1.049 1317 K CA 1.549 57.897 56.287 0.101 0.000 0.933 1317 K CB -0.559 31.979 32.500 0.062 0.000 0.714 1317 K HN 0.084 nan 8.250 nan 0.000 0.438 1318 V N 1.366 121.288 119.914 0.013 0.000 2.323 1318 V HA -0.176 3.944 4.120 0.000 0.000 0.244 1318 V C 2.521 178.614 176.094 -0.002 0.000 1.041 1318 V CA 1.745 64.031 62.300 -0.023 0.000 1.025 1318 V CB -0.723 31.059 31.823 -0.068 0.000 0.656 1318 V HN 0.403 nan 8.190 nan 0.000 0.451 1319 A N -0.487 122.331 122.820 -0.003 0.000 1.986 1319 A HA -0.298 4.022 4.320 0.000 0.000 0.220 1319 A C 2.049 179.677 177.584 0.074 0.000 1.171 1319 A CA 2.095 54.134 52.037 0.003 0.000 0.640 1319 A CB -0.577 18.377 19.000 -0.076 0.000 0.811 1319 A HN 0.572 nan 8.150 nan 0.000 0.451 1320 D N -0.252 120.214 120.400 0.108 0.000 2.084 1320 D HA -0.163 4.478 4.640 0.000 0.000 0.196 1320 D C 2.049 178.374 176.300 0.042 0.000 0.985 1320 D CA 1.715 55.765 54.000 0.084 0.000 0.826 1320 D CB -0.250 40.595 40.800 0.075 0.000 0.978 1320 D HN 0.855 nan 8.370 nan 0.000 0.456 1321 E N 0.791 121.006 120.200 0.025 0.000 2.427 1321 E HA -0.078 4.272 4.350 0.000 0.000 0.196 1321 E C 1.899 178.510 176.600 0.018 0.000 1.028 1321 E CA 0.614 57.020 56.400 0.009 0.000 0.864 1321 E CB 0.013 29.703 29.700 -0.016 0.000 0.813 1321 E HN 0.240 nan 8.360 nan 0.000 0.514 1322 V N -2.846 117.084 119.914 0.028 0.000 3.621 1322 V HA 0.473 4.593 4.120 0.000 0.000 0.285 1322 V C 1.285 177.408 176.094 0.049 0.000 1.346 1322 V CA 0.219 62.546 62.300 0.044 0.000 1.104 1322 V CB -0.041 31.811 31.823 0.049 0.000 0.913 1322 V HN 0.300 nan 8.190 nan 0.000 0.432 1323 G N 0.922 109.749 108.800 0.043 0.000 2.136 1323 G HA2 -0.253 3.708 3.960 0.000 0.000 0.242 1323 G HA3 -0.253 3.708 3.960 0.000 0.000 0.242 1323 G C 0.407 175.337 174.900 0.051 0.000 0.989 1323 G CA 0.556 45.686 45.100 0.049 0.000 0.682 1323 G HN 0.538 nan 8.290 nan 0.000 0.522 1324 L N -0.503 120.740 121.223 0.033 0.000 2.509 1324 L HA 0.219 4.560 4.340 0.000 0.000 0.222 1324 L C 2.853 179.721 176.870 -0.003 0.000 1.123 1324 L CA 0.163 54.996 54.840 -0.011 0.000 0.856 1324 L CB -0.264 41.759 42.059 -0.061 0.000 0.985 1324 L HN 0.198 nan 8.230 nan 0.000 0.456 1325 R N 0.713 121.259 120.500 0.077 0.000 2.096 1325 R HA -0.176 4.164 4.340 0.000 0.000 0.240 1325 R C 2.289 178.660 176.300 0.118 0.000 1.139 1325 R CA 2.203 58.418 56.100 0.191 0.000 0.952 1325 R CB -0.356 30.026 30.300 0.137 0.000 0.854 1325 R HN 0.445 nan 8.270 nan 0.000 0.436 1326 S N -0.635 115.078 115.700 0.022 0.000 2.496 1326 S HA -0.003 4.467 4.470 0.000 0.000 0.224 1326 S C 2.101 176.649 174.600 -0.087 0.000 0.996 1326 S CA 0.606 58.788 58.200 -0.030 0.000 0.927 1326 S CB -0.045 63.134 63.200 -0.034 0.000 0.774 1326 S HN 0.058 nan 8.310 nan 0.000 0.524 1327 V N 2.660 122.511 119.914 -0.105 0.000 2.323 1327 V HA -0.090 4.030 4.120 0.000 0.000 0.244 1327 V C 2.472 178.468 176.094 -0.164 0.000 1.041 1327 V CA 1.258 63.431 62.300 -0.213 0.000 1.025 1327 V CB -0.677 30.961 31.823 -0.308 0.000 0.656 1327 V HN 0.445 nan 8.190 nan 0.000 0.451 1328 I N 0.202 120.661 120.570 -0.185 0.000 2.226 1328 I HA -0.224 3.946 4.170 0.000 0.000 0.245 1328 I C 2.492 178.633 176.117 0.039 0.000 1.100 1328 I CA 1.707 62.858 61.300 -0.248 0.000 1.374 1328 I CB -1.146 36.615 38.000 -0.399 0.000 1.057 1328 I HN 0.437 nan 8.210 nan 0.000 0.413 1329 E N 0.988 121.232 120.200 0.074 0.000 2.209 1329 E HA -0.257 4.093 4.350 0.000 0.000 0.196 1329 E C 2.217 178.783 176.600 -0.057 0.000 0.993 1329 E CA 1.063 57.497 56.400 0.056 0.000 0.819 1329 E CB 0.034 29.727 29.700 -0.012 0.000 0.745 1329 E HN 0.662 nan 8.360 nan 0.000 0.477 1330 Q N -0.632 119.041 119.800 -0.211 0.000 2.297 1330 Q HA -0.065 4.275 4.340 0.000 0.000 0.204 1330 Q C -0.069 175.675 176.000 -0.427 0.000 0.962 1330 Q CA 0.415 56.003 55.803 -0.358 0.000 0.879 1330 Q CB -0.072 28.352 28.738 -0.523 0.000 0.947 1330 Q HN 0.102 nan 8.270 nan 0.000 0.462 1331 F N 3.495 123.337 119.950 -0.180 0.000 2.410 1331 F HA 0.337 4.864 4.527 0.000 0.000 0.348 1331 F C -1.878 173.882 175.800 -0.066 0.000 1.106 1331 F CA -3.035 54.767 58.000 -0.330 0.000 1.163 1331 F CB 0.714 39.279 39.000 -0.727 0.000 1.129 1331 F HN -0.011 nan 8.300 nan 0.000 0.516 1332 P HA 0.081 nan 4.420 nan 0.000 0.262 1332 P C 0.688 178.220 177.300 0.387 0.000 1.199 1332 P CA 0.804 64.075 63.100 0.284 0.000 0.763 1332 P CB 0.689 32.565 31.700 0.292 0.000 0.790 1333 G N 3.055 112.021 108.800 0.277 0.000 2.213 1333 G HA2 -0.299 3.661 3.960 0.000 0.000 0.236 1333 G HA3 -0.299 3.661 3.960 0.000 0.000 0.236 1333 G C 0.765 175.849 174.900 0.307 0.000 0.991 1333 G CA 0.433 45.695 45.100 0.270 0.000 0.629 1333 G HN 0.556 nan 8.290 nan 0.000 0.517 1334 K N -1.224 119.383 120.400 0.346 0.000 2.554 1334 K HA -0.306 4.015 4.320 0.000 0.000 0.167 1334 K C 1.629 178.443 176.600 0.357 0.000 0.814 1334 K CA 2.020 58.518 56.287 0.353 0.000 0.416 1334 K CB -1.544 31.198 32.500 0.404 0.000 0.752 1334 K HN 0.305 nan 8.250 nan 0.000 0.770 1335 L N 1.370 122.749 121.223 0.260 0.000 2.456 1335 L HA -0.137 4.203 4.340 0.000 0.000 0.224 1335 L C 1.015 178.025 176.870 0.233 0.000 1.148 1335 L CA 1.282 56.204 54.840 0.137 0.000 0.825 1335 L CB -0.401 41.626 42.059 -0.053 0.000 0.937 1335 L HN 0.401 nan 8.230 nan 0.000 0.450 1336 D N -1.270 119.283 120.400 0.256 0.000 2.363 1336 D HA 0.012 4.653 4.640 0.000 0.000 0.214 1336 D C 0.160 176.574 176.300 0.189 0.000 1.093 1336 D CA -0.117 53.995 54.000 0.186 0.000 0.837 1336 D CB 0.180 41.068 40.800 0.147 0.000 0.948 1336 D HN 0.009 nan 8.370 nan 0.000 0.507 1337 F N 1.930 121.969 119.950 0.148 0.000 2.541 1337 F HA 0.105 4.632 4.527 0.000 0.000 0.378 1337 F C 0.148 175.850 175.800 -0.163 0.000 1.068 1337 F CA -0.666 57.364 58.000 0.050 0.000 1.199 1337 F CB 0.474 39.571 39.000 0.161 0.000 1.091 1337 F HN -0.299 nan 8.300 nan 0.000 0.555 1338 V N 8.152 127.677 119.914 -0.650 0.000 2.470 1338 V HA 0.027 4.147 4.120 0.000 0.000 0.276 1338 V C 0.324 176.032 176.094 -0.644 0.000 1.040 1338 V CA -0.452 61.538 62.300 -0.517 0.000 1.008 1338 V CB 0.607 32.207 31.823 -0.372 0.000 0.990 1338 V HN 0.535 nan 8.190 nan 0.000 0.477 1339 L N 6.762 127.708 121.223 -0.461 0.000 2.268 1339 L HA 0.416 4.757 4.340 0.000 0.000 0.289 1339 L C 0.047 176.769 176.870 -0.247 0.000 1.064 1339 L CA -0.339 54.264 54.840 -0.395 0.000 0.824 1339 L CB 1.067 42.847 42.059 -0.466 0.000 1.202 1339 L HN 0.656 nan 8.230 nan 0.000 0.433 1340 V N -0.653 119.141 119.914 -0.200 0.000 2.834 1340 V HA 0.484 4.604 4.120 0.000 0.000 0.313 1340 V C 0.141 176.190 176.094 -0.074 0.000 1.060 1340 V CA -0.834 61.395 62.300 -0.119 0.000 0.989 1340 V CB 1.549 33.308 31.823 -0.107 0.000 1.041 1340 V HN 0.830 nan 8.190 nan 0.000 0.459 1341 D N 1.706 122.081 120.400 -0.041 0.000 2.723 1341 D HA -0.181 4.459 4.640 0.000 0.000 0.236 1341 D C 1.199 177.488 176.300 -0.019 0.000 1.138 1341 D CA 1.530 55.520 54.000 -0.018 0.000 0.676 1341 D CB -1.487 39.308 40.800 -0.008 0.000 1.069 1341 D HN 1.985 nan 8.370 nan 0.000 0.430 1342 G N -0.872 107.911 108.800 -0.029 0.000 2.168 1342 G HA2 -0.020 3.940 3.960 0.000 0.000 0.263 1342 G HA3 -0.020 3.940 3.960 0.000 0.000 0.263 1342 G C 0.920 175.782 174.900 -0.064 0.000 0.977 1342 G CA 0.947 46.026 45.100 -0.035 0.000 0.659 1342 G HN 1.679 nan 8.290 nan 0.000 0.533 1343 G N -1.865 106.888 108.800 -0.080 0.000 2.414 1343 G HA2 0.035 3.995 3.960 0.000 0.000 0.256 1343 G HA3 0.035 3.995 3.960 0.000 0.000 0.256 1343 G C 1.616 176.509 174.900 -0.012 0.000 1.128 1343 G CA 1.058 46.107 45.100 -0.086 0.000 0.944 1343 G HN 2.153 nan 8.290 nan 0.000 0.500 1344 C N -1.353 117.952 119.300 0.007 0.000 2.437 1344 C HA 0.193 4.653 4.460 0.000 0.000 0.283 1344 C C 2.802 177.845 174.990 0.088 0.000 1.424 1344 C CA 1.240 60.285 59.018 0.045 0.000 1.782 1344 C CB -1.529 26.234 27.740 0.038 0.000 1.833 1344 C HN 1.385 nan 8.230 nan 0.000 0.532 1345 V N 0.241 120.216 119.914 0.102 0.000 2.515 1345 V HA 0.071 4.191 4.120 0.000 0.000 0.250 1345 V C 1.250 177.496 176.094 0.254 0.000 1.058 1345 V CA 0.954 63.366 62.300 0.186 0.000 1.064 1345 V CB -1.063 30.887 31.823 0.211 0.000 0.675 1345 V HN 0.617 nan 8.190 nan 0.000 0.461 1346 L N 2.648 123.998 121.223 0.211 0.000 2.349 1346 L HA 0.414 4.754 4.340 0.000 0.000 0.275 1346 L C 0.877 177.905 176.870 0.265 0.000 1.115 1346 L CA 0.075 55.115 54.840 0.334 0.000 0.820 1346 L CB 1.115 43.334 42.059 0.268 0.000 1.135 1346 L HN 0.436 nan 8.230 nan 0.000 0.445 1347 S N 0.724 116.604 115.700 0.299 0.000 2.617 1347 S HA -0.001 4.470 4.470 0.000 0.000 0.259 1347 S C 1.203 175.824 174.600 0.036 0.000 1.301 1347 S CA -0.390 57.853 58.200 0.071 0.000 0.984 1347 S CB 0.600 63.743 63.200 -0.095 0.000 0.954 1347 S HN 0.746 nan 8.310 nan 0.000 0.572 1348 H N 1.008 120.053 119.070 -0.042 0.000 2.353 1348 H HA -0.116 4.440 4.556 0.000 0.000 0.298 1348 H C 2.079 177.383 175.328 -0.040 0.000 1.103 1348 H CA 2.148 58.178 56.048 -0.030 0.000 1.293 1348 H CB -0.922 28.825 29.762 -0.025 0.000 1.372 1348 H HN 0.826 nan 8.280 nan 0.000 0.501 1349 G N 0.509 109.299 108.800 -0.016 0.000 2.480 1349 G HA2 -0.285 3.675 3.960 0.000 0.000 0.216 1349 G HA3 -0.285 3.675 3.960 0.000 0.000 0.216 1349 G C 1.456 176.323 174.900 -0.054 0.000 1.200 1349 G CA 0.988 46.050 45.100 -0.064 0.000 0.782 1349 G HN 0.495 nan 8.290 nan 0.000 0.554 1350 H N 0.926 120.029 119.070 0.055 0.000 2.353 1350 H HA -0.056 4.500 4.556 0.000 0.000 0.298 1350 H C 2.552 177.897 175.328 0.028 0.000 1.103 1350 H CA 1.497 57.581 56.048 0.060 0.000 1.293 1350 H CB -0.329 29.499 29.762 0.111 0.000 1.372 1350 H HN 0.371 nan 8.280 nan 0.000 0.501 1351 K N 0.364 120.817 120.400 0.088 0.000 2.103 1351 K HA -0.141 4.180 4.320 0.000 0.000 0.207 1351 K C 2.238 178.806 176.600 -0.053 0.000 1.048 1351 K CA 1.042 57.324 56.287 -0.009 0.000 0.930 1351 K CB 0.119 32.559 32.500 -0.100 0.000 0.716 1351 K HN 0.255 nan 8.250 nan 0.000 0.444 1352 Q N 0.565 120.309 119.800 -0.093 0.000 2.123 1352 Q HA -0.034 4.306 4.340 0.000 0.000 0.199 1352 Q C 2.226 178.235 176.000 0.014 0.000 0.966 1352 Q CA 0.994 56.759 55.803 -0.063 0.000 0.845 1352 Q CB -0.090 28.605 28.738 -0.071 0.000 0.907 1352 Q HN 0.363 nan 8.270 nan 0.000 0.439 1353 L N -0.276 120.975 121.223 0.047 0.000 2.083 1353 L HA -0.130 4.210 4.340 0.000 0.000 0.209 1353 L C 2.510 179.416 176.870 0.060 0.000 1.083 1353 L CA 0.900 55.782 54.840 0.071 0.000 0.752 1353 L CB -0.428 41.693 42.059 0.103 0.000 0.899 1353 L HN 0.211 nan 8.230 nan 0.000 0.433 1354 M N -1.155 118.480 119.600 0.059 0.000 2.175 1354 M HA -0.220 4.261 4.480 0.000 0.000 0.264 1354 M C 2.465 178.788 176.300 0.037 0.000 1.063 1354 M CA 1.436 56.764 55.300 0.047 0.000 1.119 1354 M CB -0.495 32.142 32.600 0.062 0.000 1.377 1354 M HN 0.408 nan 8.290 nan 0.000 0.415 1355 C N -0.004 119.314 119.300 0.029 0.000 2.425 1355 C HA -0.129 4.332 4.460 0.000 0.000 0.277 1355 C C 2.634 177.658 174.990 0.058 0.000 1.280 1355 C CA 0.517 59.557 59.018 0.037 0.000 1.744 1355 C CB -1.035 26.714 27.740 0.014 0.000 1.989 1355 C HN 0.514 nan 8.230 nan 0.000 0.491 1356 L N 1.809 123.069 121.223 0.062 0.000 2.044 1356 L HA 0.092 4.432 4.340 0.000 0.000 0.205 1356 L C 2.621 179.565 176.870 0.123 0.000 1.075 1356 L CA 2.199 57.096 54.840 0.095 0.000 0.747 1356 L CB -1.034 41.085 42.059 0.099 0.000 0.903 1356 L HN 0.229 nan 8.230 nan 0.000 0.435 1357 A N -0.341 122.526 122.820 0.078 0.000 1.958 1357 A HA -0.319 4.002 4.320 0.000 0.000 0.221 1357 A C 2.517 180.121 177.584 0.033 0.000 1.178 1357 A CA 2.154 54.216 52.037 0.042 0.000 0.642 1357 A CB -0.722 18.281 19.000 0.005 0.000 0.816 1357 A HN 0.509 nan 8.150 nan 0.000 0.453 1358 R N -0.624 119.906 120.500 0.051 0.000 2.091 1358 R HA -0.100 4.240 4.340 0.000 0.000 0.238 1358 R C 2.427 178.778 176.300 0.085 0.000 1.136 1358 R CA 1.753 57.888 56.100 0.058 0.000 0.959 1358 R CB -0.245 30.102 30.300 0.079 0.000 0.856 1358 R HN 0.520 nan 8.270 nan 0.000 0.437 1359 S N -0.473 115.307 115.700 0.134 0.000 2.387 1359 S HA -0.056 4.414 4.470 0.000 0.000 0.226 1359 S C 1.866 176.635 174.600 0.280 0.000 1.026 1359 S CA 0.972 59.291 58.200 0.197 0.000 0.972 1359 S CB 0.098 63.405 63.200 0.178 0.000 0.814 1359 S HN 0.118 nan 8.310 nan 0.000 0.477 1360 V N 1.625 121.693 119.914 0.257 0.000 2.287 1360 V HA -0.140 3.980 4.120 0.000 0.000 0.248 1360 V C 2.187 178.248 176.094 -0.055 0.000 1.053 1360 V CA 1.405 63.705 62.300 -0.000 0.000 1.027 1360 V CB -0.589 31.182 31.823 -0.086 0.000 0.646 1360 V HN 0.350 nan 8.190 nan 0.000 0.447 1361 L N 0.016 121.202 121.223 -0.062 0.000 2.362 1361 L HA -0.034 4.306 4.340 0.000 0.000 0.219 1361 L C 2.216 179.058 176.870 -0.046 0.000 1.134 1361 L CA 1.614 56.350 54.840 -0.172 0.000 0.807 1361 L CB -0.444 41.435 42.059 -0.299 0.000 0.927 1361 L HN 0.272 nan 8.230 nan 0.000 0.447 1362 S N -0.446 115.281 115.700 0.044 0.000 2.548 1362 S HA 0.107 4.577 4.470 0.000 0.000 0.215 1362 S C 1.024 175.670 174.600 0.077 0.000 0.976 1362 S CA 0.564 58.822 58.200 0.098 0.000 0.908 1362 S CB -0.081 63.186 63.200 0.113 0.000 0.781 1362 S HN 0.469 nan 8.310 nan 0.000 0.519 1363 K N 0.682 121.110 120.400 0.047 0.000 3.148 1363 K HA -0.107 4.213 4.320 0.000 0.000 0.267 1363 K C 0.137 176.749 176.600 0.020 0.000 0.996 1363 K CA 0.748 57.043 56.287 0.013 0.000 0.737 1363 K CB -2.883 29.614 32.500 -0.006 0.000 1.308 1363 K HN 0.859 nan 8.250 nan 0.000 0.470 1364 A N 0.243 123.127 122.820 0.108 0.000 2.462 1364 A HA 0.548 4.869 4.320 0.000 0.000 0.243 1364 A C 1.238 178.854 177.584 0.053 0.000 1.076 1364 A CA 0.695 52.749 52.037 0.028 0.000 0.773 1364 A CB 0.339 19.374 19.000 0.059 0.000 1.010 1364 A HN 0.597 nan 8.150 nan 0.000 0.493 1365 K N 0.993 121.285 120.400 -0.180 0.000 2.440 1365 K HA 0.296 4.616 4.320 0.000 0.000 0.207 1365 K C -0.606 175.854 176.600 -0.234 0.000 1.112 1365 K CA 0.289 56.478 56.287 -0.164 0.000 1.036 1365 K CB 0.500 32.848 32.500 -0.253 0.000 0.935 1365 K HN 0.730 nan 8.250 nan 0.000 0.564 1366 I N 2.392 122.751 120.570 -0.352 0.000 2.406 1366 I HA 0.221 4.391 4.170 0.000 0.000 0.290 1366 I C -0.968 175.062 176.117 -0.145 0.000 0.999 1366 I CA -1.098 60.029 61.300 -0.288 0.000 1.124 1366 I CB 1.462 39.181 38.000 -0.469 0.000 1.289 1366 I HN -0.228 nan 8.210 nan 0.000 0.441 1367 L N 7.274 128.434 121.223 -0.105 0.000 2.295 1367 L HA 0.492 4.833 4.340 0.000 0.000 0.285 1367 L C -0.386 176.513 176.870 0.048 0.000 1.035 1367 L CA -0.273 54.512 54.840 -0.092 0.000 0.806 1367 L CB 1.375 43.307 42.059 -0.212 0.000 1.214 1367 L HN 0.411 nan 8.230 nan 0.000 0.426 1368 L N 5.445 126.724 121.223 0.093 0.000 2.295 1368 L HA 0.484 4.824 4.340 0.000 0.000 0.281 1368 L C -0.829 176.098 176.870 0.095 0.000 1.018 1368 L CA -0.341 54.584 54.840 0.141 0.000 0.841 1368 L CB 0.877 43.047 42.059 0.185 0.000 1.218 1368 L HN 0.369 nan 8.230 nan 0.000 0.424 1369 L N 3.057 124.338 121.223 0.097 0.000 2.295 1369 L HA 0.395 4.735 4.340 0.000 0.000 0.281 1369 L C -0.564 176.371 176.870 0.108 0.000 1.018 1369 L CA -0.384 54.514 54.840 0.097 0.000 0.841 1369 L CB 1.587 43.704 42.059 0.097 0.000 1.218 1369 L HN 0.468 nan 8.230 nan 0.000 0.424 1370 D N 5.042 125.512 120.400 0.116 0.000 2.485 1370 D HA 0.117 4.757 4.640 0.000 0.000 0.221 1370 D C 0.184 176.577 176.300 0.156 0.000 1.112 1370 D CA -0.117 53.959 54.000 0.126 0.000 0.911 1370 D CB 0.475 41.349 40.800 0.122 0.000 1.019 1370 D HN 0.519 nan 8.370 nan 0.000 0.516 1371 E N 2.277 122.523 120.200 0.078 0.000 2.210 1371 E HA -0.183 4.167 4.350 0.000 0.000 0.201 1371 E C -1.643 174.908 176.600 -0.082 0.000 1.339 1371 E CA -0.027 56.347 56.400 -0.043 0.000 0.699 1371 E CB -0.419 29.178 29.700 -0.172 0.000 1.126 1371 E HN 0.507 nan 8.360 nan 0.000 0.355 1372 P HA -0.216 nan 4.420 nan 0.000 0.217 1372 P C 1.504 178.637 177.300 -0.280 0.000 1.150 1372 P CA 1.825 64.927 63.100 0.003 0.000 0.832 1372 P CB -0.012 31.796 31.700 0.181 0.000 0.787 1373 S N -0.447 114.917 115.700 -0.560 0.000 2.481 1373 S HA 0.069 4.539 4.470 0.000 0.000 0.231 1373 S C 2.057 176.407 174.600 -0.418 0.000 0.996 1373 S CA 0.854 58.567 58.200 -0.812 0.000 0.942 1373 S CB -1.002 61.743 63.200 -0.758 0.000 0.768 1373 S HN 0.147 nan 8.310 nan 0.000 0.520 1374 A N 0.576 123.177 122.820 -0.365 0.000 2.095 1374 A HA 0.298 4.618 4.320 0.000 0.000 0.212 1374 A C 1.661 179.046 177.584 -0.331 0.000 1.162 1374 A CA 0.515 52.331 52.037 -0.368 0.000 0.753 1374 A CB -0.358 18.363 19.000 -0.466 0.000 0.840 1374 A HN 0.717 nan 8.150 nan 0.000 0.468 1375 H N -1.528 117.496 119.070 -0.076 0.000 2.788 1375 H HA 0.402 4.959 4.556 0.000 0.000 0.262 1375 H C -0.125 175.195 175.328 -0.014 0.000 0.968 1375 H CA -0.353 55.671 56.048 -0.041 0.000 1.218 1375 H CB 0.427 30.193 29.762 0.007 0.000 1.443 1375 H HN 0.240 nan 8.280 nan 0.000 0.478 1376 L N 2.995 124.281 121.223 0.105 0.000 2.334 1376 L HA 0.154 4.494 4.340 0.000 0.000 0.277 1376 L C -0.062 176.839 176.870 0.051 0.000 1.075 1376 L CA -1.026 53.894 54.840 0.133 0.000 0.804 1376 L CB 0.946 43.116 42.059 0.184 0.000 1.174 1376 L HN 0.293 nan 8.230 nan 0.000 0.438 1377 D N 2.009 122.451 120.400 0.070 0.000 2.399 1377 D HA 0.055 4.696 4.640 0.000 0.000 0.241 1377 D C -2.116 174.234 176.300 0.084 0.000 1.133 1377 D CA -1.537 52.486 54.000 0.039 0.000 0.890 1377 D CB 1.009 41.825 40.800 0.026 0.000 1.201 1377 D HN 0.197 nan 8.370 nan 0.000 0.432 1378 P HA -0.233 nan 4.420 nan 0.000 0.218 1378 P C 1.762 179.146 177.300 0.139 0.000 1.154 1378 P CA 1.976 65.147 63.100 0.119 0.000 0.872 1378 P CB -0.006 31.735 31.700 0.069 0.000 0.790 1379 V N -3.743 116.224 119.914 0.088 0.000 2.358 1379 V HA -0.199 3.921 4.120 0.000 0.000 0.246 1379 V C 1.913 178.055 176.094 0.080 0.000 1.047 1379 V CA 2.608 64.950 62.300 0.070 0.000 1.035 1379 V CB -2.130 29.720 31.823 0.045 0.000 0.658 1379 V HN 0.066 nan 8.190 nan 0.000 0.452 1380 T N -0.355 114.257 114.554 0.097 0.000 2.777 1380 T HA -0.157 4.193 4.350 0.000 0.000 0.266 1380 T C 1.672 176.458 174.700 0.143 0.000 1.040 1380 T CA 2.134 64.297 62.100 0.105 0.000 1.141 1380 T CB -0.599 68.335 68.868 0.110 0.000 0.868 1380 T HN 0.699 nan 8.240 nan 0.000 0.444 1381 Y N 1.888 122.213 120.300 0.041 0.000 2.151 1381 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 1381 Y C 2.694 178.615 175.900 0.035 0.000 1.166 1381 Y CA 1.186 59.309 58.100 0.039 0.000 1.163 1381 Y CB -0.091 38.388 38.460 0.032 0.000 0.974 1381 Y HN 0.067 nan 8.280 nan 0.000 0.511 1382 Q N 0.463 120.223 119.800 -0.067 0.000 2.084 1382 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 1382 Q C 2.362 178.299 176.000 -0.104 0.000 0.978 1382 Q CA 1.914 57.627 55.803 -0.151 0.000 0.844 1382 Q CB -0.450 28.263 28.738 -0.042 0.000 0.898 1382 Q HN 0.656 nan 8.270 nan 0.000 0.426 1383 I N 0.544 121.097 120.570 -0.029 0.000 2.286 1383 I HA -0.246 3.924 4.170 0.000 0.000 0.248 1383 I C 2.045 178.159 176.117 -0.004 0.000 1.115 1383 I CA 0.677 61.977 61.300 -0.001 0.000 1.392 1383 I CB -0.327 37.694 38.000 0.035 0.000 1.065 1383 I HN 0.127 nan 8.210 nan 0.000 0.418 1384 I N 0.773 121.338 120.570 -0.008 0.000 2.179 1384 I HA -0.253 3.917 4.170 0.000 0.000 0.242 1384 I C 2.652 178.742 176.117 -0.044 0.000 1.088 1384 I CA 1.665 62.967 61.300 0.004 0.000 1.357 1384 I CB -1.266 36.759 38.000 0.042 0.000 1.051 1384 I HN 0.273 nan 8.210 nan 0.000 0.409 1385 R N 0.407 120.809 120.500 -0.163 0.000 2.081 1385 R HA -0.122 4.218 4.340 0.000 0.000 0.235 1385 R C 2.465 178.719 176.300 -0.077 0.000 1.131 1385 R CA 1.201 57.195 56.100 -0.177 0.000 0.960 1385 R CB -0.267 29.835 30.300 -0.330 0.000 0.856 1385 R HN 0.342 nan 8.270 nan 0.000 0.436 1386 R N -0.421 120.042 120.500 -0.061 0.000 2.115 1386 R HA -0.054 4.287 4.340 0.000 0.000 0.230 1386 R C 2.051 178.355 176.300 0.006 0.000 1.111 1386 R CA 1.599 57.684 56.100 -0.025 0.000 0.976 1386 R CB -0.126 30.160 30.300 -0.022 0.000 0.870 1386 R HN 0.226 nan 8.270 nan 0.000 0.445 1387 T N 1.106 115.677 114.554 0.029 0.000 2.904 1387 T HA -0.051 4.300 4.350 0.000 0.000 0.267 1387 T C 1.548 176.333 174.700 0.142 0.000 1.059 1387 T CA 0.640 62.784 62.100 0.073 0.000 1.137 1387 T CB -0.021 68.910 68.868 0.105 0.000 0.879 1387 T HN 0.002 nan 8.240 nan 0.000 0.467 1388 L N 1.267 122.568 121.223 0.130 0.000 2.201 1388 L HA -0.009 4.331 4.340 0.000 0.000 0.212 1388 L C 2.534 179.475 176.870 0.119 0.000 1.105 1388 L CA 1.448 56.387 54.840 0.165 0.000 0.775 1388 L CB -0.656 41.438 42.059 0.060 0.000 0.913 1388 L HN 0.074 nan 8.230 nan 0.000 0.440 1389 K N -1.827 118.607 120.400 0.056 0.000 2.186 1389 K HA 0.044 4.364 4.320 0.000 0.000 0.202 1389 K C 2.024 178.635 176.600 0.018 0.000 1.052 1389 K CA 0.485 56.789 56.287 0.029 0.000 0.965 1389 K CB -0.084 32.419 32.500 0.006 0.000 0.746 1389 K HN 0.430 nan 8.250 nan 0.000 0.457 1390 Q N -0.557 119.250 119.800 0.011 0.000 2.084 1390 Q HA 0.241 4.581 4.340 0.000 0.000 0.194 1390 Q C 2.416 178.372 176.000 -0.074 0.000 0.969 1390 Q CA 1.516 57.304 55.803 -0.025 0.000 0.829 1390 Q CB -0.344 28.380 28.738 -0.025 0.000 0.904 1390 Q HN 0.417 nan 8.270 nan 0.000 0.464 1391 A N -0.126 122.622 122.820 -0.119 0.000 1.930 1391 A HA -0.000 4.320 4.320 0.000 0.000 0.215 1391 A C 0.907 178.170 177.584 -0.536 0.000 1.176 1391 A CA 0.781 52.594 52.037 -0.373 0.000 0.632 1391 A CB -0.221 18.459 19.000 -0.534 0.000 0.819 1391 A HN 0.259 nan 8.150 nan 0.000 0.445 1392 F N -0.617 119.314 119.950 -0.031 0.000 2.963 1392 F HA 0.487 5.014 4.527 0.000 0.000 0.321 1392 F C 1.743 177.519 175.800 -0.039 0.000 1.234 1392 F CA -0.098 57.879 58.000 -0.040 0.000 1.296 1392 F CB 0.004 38.982 39.000 -0.037 0.000 0.981 1392 F HN 0.212 nan 8.300 nan 0.000 0.507 1393 A N -0.336 122.516 122.820 0.054 0.000 1.917 1393 A HA -0.189 4.131 4.320 0.000 0.000 0.219 1393 A C 1.376 178.976 177.584 0.027 0.000 1.182 1393 A CA 1.858 53.913 52.037 0.030 0.000 0.633 1393 A CB -0.282 18.714 19.000 -0.006 0.000 0.819 1393 A HN 0.329 nan 8.150 nan 0.000 0.448 1394 D N -1.012 119.400 120.400 0.020 0.000 3.008 1394 D HA 0.301 4.941 4.640 0.000 0.000 0.312 1394 D C -0.981 175.321 176.300 0.003 0.000 1.361 1394 D CA -0.079 53.923 54.000 0.003 0.000 0.858 1394 D CB 0.097 40.889 40.800 -0.014 0.000 1.098 1394 D HN 0.231 nan 8.370 nan 0.000 0.482 1395 C N 0.243 119.561 119.300 0.029 0.000 2.435 1395 C HA 0.369 4.829 4.460 0.000 0.000 0.333 1395 C C 0.899 175.874 174.990 -0.024 0.000 1.202 1395 C CA -0.470 58.554 59.018 0.010 0.000 1.830 1395 C CB 1.559 29.349 27.740 0.084 0.000 2.326 1395 C HN 0.217 nan 8.230 nan 0.000 0.507 1396 T N 2.679 117.197 114.554 -0.061 0.000 2.829 1396 T HA 0.274 4.624 4.350 0.000 0.000 0.293 1396 T C -0.100 174.570 174.700 -0.050 0.000 0.970 1396 T CA 0.233 62.297 62.100 -0.059 0.000 1.168 1396 T CB 0.033 68.850 68.868 -0.086 0.000 0.911 1396 T HN 0.471 nan 8.240 nan 0.000 0.535 1397 V N 6.154 126.052 119.914 -0.027 0.000 2.378 1397 V HA 0.389 4.509 4.120 0.000 0.000 0.288 1397 V C 0.125 176.228 176.094 0.015 0.000 1.016 1397 V CA -0.758 61.534 62.300 -0.014 0.000 0.840 1397 V CB 1.273 33.088 31.823 -0.014 0.000 0.994 1397 V HN 0.785 nan 8.190 nan 0.000 0.431 1398 I N 6.199 126.803 120.570 0.056 0.000 2.307 1398 I HA 0.315 4.485 4.170 0.000 0.000 0.287 1398 I C -0.387 175.788 176.117 0.097 0.000 1.054 1398 I CA -0.343 61.015 61.300 0.096 0.000 1.218 1398 I CB 1.143 39.257 38.000 0.191 0.000 1.398 1398 I HN 0.408 nan 8.210 nan 0.000 0.475 1399 L N 7.401 128.669 121.223 0.074 0.000 2.325 1399 L HA 0.524 4.864 4.340 0.000 0.000 0.279 1399 L C -0.767 176.164 176.870 0.102 0.000 1.054 1399 L CA -0.010 54.883 54.840 0.088 0.000 0.804 1399 L CB 1.537 43.645 42.059 0.082 0.000 1.200 1399 L HN 0.694 nan 8.230 nan 0.000 0.436 1400 C N 5.356 124.719 119.300 0.105 0.000 2.383 1400 C HA 0.723 5.183 4.460 0.000 0.000 0.330 1400 C C -0.865 174.184 174.990 0.099 0.000 1.168 1400 C CA -0.368 58.712 59.018 0.103 0.000 1.374 1400 C CB 0.068 27.860 27.740 0.086 0.000 2.014 1400 C HN 0.891 nan 8.230 nan 0.000 0.439 1401 E N 2.455 122.735 120.200 0.134 0.000 2.393 1401 E HA 0.479 4.830 4.350 0.000 0.000 0.273 1401 E C 0.183 176.909 176.600 0.208 0.000 0.918 1401 E CA -0.363 56.111 56.400 0.124 0.000 0.773 1401 E CB 2.078 31.846 29.700 0.112 0.000 1.275 1401 E HN 0.624 nan 8.360 nan 0.000 0.451 1402 A N 1.671 124.587 122.820 0.159 0.000 1.975 1402 A HA 0.007 4.327 4.320 0.000 0.000 0.215 1402 A C 1.174 178.877 177.584 0.198 0.000 1.170 1402 A CA 0.707 52.888 52.037 0.239 0.000 0.656 1402 A CB 0.092 19.167 19.000 0.125 0.000 0.821 1402 A HN 0.358 nan 8.150 nan 0.000 0.449 1403 R N -0.079 120.454 120.500 0.055 0.000 2.297 1403 R HA 0.399 4.739 4.340 0.000 0.000 0.308 1403 R C 0.842 177.086 176.300 -0.094 0.000 1.029 1403 R CA -0.383 55.657 56.100 -0.099 0.000 0.929 1403 R CB 0.610 30.868 30.300 -0.071 0.000 1.046 1403 R HN 0.239 nan 8.270 nan 0.000 0.461 1404 I N 3.659 124.016 120.570 -0.355 0.000 2.394 1404 I HA -0.151 4.019 4.170 0.000 0.000 0.251 1404 I C 1.085 177.181 176.117 -0.035 0.000 1.136 1404 I CA 1.653 62.835 61.300 -0.197 0.000 1.425 1404 I CB 0.039 37.781 38.000 -0.431 0.000 1.079 1404 I HN 0.764 nan 8.210 nan 0.000 0.425 1405 E N 0.779 120.934 120.200 -0.074 0.000 2.209 1405 E HA -0.145 4.205 4.350 0.000 0.000 0.196 1405 E C 2.166 178.788 176.600 0.036 0.000 0.993 1405 E CA 1.289 57.678 56.400 -0.019 0.000 0.819 1405 E CB -0.466 29.210 29.700 -0.039 0.000 0.745 1405 E HN 0.622 nan 8.360 nan 0.000 0.477 1406 A N 0.728 123.578 122.820 0.051 0.000 2.119 1406 A HA -0.037 4.283 4.320 0.000 0.000 0.217 1406 A C 1.675 179.336 177.584 0.128 0.000 1.153 1406 A CA 1.084 53.175 52.037 0.090 0.000 0.692 1406 A CB -0.262 18.784 19.000 0.077 0.000 0.799 1406 A HN 0.332 nan 8.150 nan 0.000 0.458 1407 M N -1.957 117.741 119.600 0.164 0.000 2.705 1407 M HA 0.401 4.881 4.480 0.000 0.000 0.387 1407 M C 0.155 176.621 176.300 0.276 0.000 1.204 1407 M CA 0.110 55.538 55.300 0.212 0.000 0.905 1407 M CB -0.429 32.337 32.600 0.276 0.000 1.394 1407 M HN 0.092 nan 8.290 nan 0.000 0.515 1408 L N 1.215 122.553 121.223 0.192 0.000 2.261 1408 L HA -0.125 4.215 4.340 0.000 0.000 0.216 1408 L C 2.013 178.983 176.870 0.167 0.000 1.114 1408 L CA 1.174 56.123 54.840 0.181 0.000 0.777 1408 L CB -0.185 41.927 42.059 0.088 0.000 0.910 1408 L HN 0.419 nan 8.230 nan 0.000 0.440 1409 E N -1.107 119.160 120.200 0.112 0.000 2.478 1409 E HA 0.023 4.373 4.350 0.000 0.000 0.194 1409 E C 0.674 177.283 176.600 0.015 0.000 1.045 1409 E CA 0.024 56.460 56.400 0.061 0.000 0.868 1409 E CB -0.317 29.408 29.700 0.041 0.000 0.885 1409 E HN 0.366 nan 8.360 nan 0.000 0.505 1410 C N 2.993 122.275 119.300 -0.030 0.000 2.642 1410 C HA 0.008 4.468 4.460 0.000 0.000 0.420 1410 C C 1.714 176.541 174.990 -0.270 0.000 1.349 1410 C CA -0.460 58.409 59.018 -0.248 0.000 1.821 1410 C CB 0.122 27.508 27.740 -0.590 0.000 2.637 1410 C HN 0.357 nan 8.230 nan 0.000 0.605 1411 D N 0.575 120.852 120.400 -0.206 0.000 2.183 1411 D HA -0.038 4.602 4.640 0.000 0.000 0.203 1411 D C 0.797 177.019 176.300 -0.129 0.000 0.969 1411 D CA 1.240 55.176 54.000 -0.107 0.000 0.842 1411 D CB 0.192 40.957 40.800 -0.059 0.000 0.957 1411 D HN 0.716 nan 8.370 nan 0.000 0.484 1412 Q N -1.072 118.538 119.800 -0.318 0.000 2.462 1412 Q HA 0.421 4.762 4.340 0.000 0.000 0.285 1412 Q C -1.839 173.884 176.000 -0.461 0.000 1.035 1412 Q CA -0.584 55.107 55.803 -0.187 0.000 0.799 1412 Q CB 1.664 30.373 28.738 -0.050 0.000 1.452 1412 Q HN -0.145 nan 8.270 nan 0.000 0.404 1413 F N 1.350 121.371 119.950 0.118 0.000 2.556 1413 F HA 0.535 5.062 4.527 0.000 0.000 0.314 1413 F C -0.716 175.150 175.800 0.109 0.000 1.106 1413 F CA -0.632 57.427 58.000 0.099 0.000 0.911 1413 F CB 1.693 40.740 39.000 0.078 0.000 1.190 1413 F HN 0.337 nan 8.300 nan 0.000 0.448 1414 L N 3.794 125.140 121.223 0.205 0.000 2.305 1414 L HA 0.694 5.035 4.340 0.000 0.000 0.284 1414 L C -1.038 175.886 176.870 0.090 0.000 1.013 1414 L CA -0.763 54.122 54.840 0.075 0.000 0.819 1414 L CB 1.675 43.654 42.059 -0.135 0.000 1.227 1414 L HN 0.339 nan 8.230 nan 0.000 0.417 1415 V N 4.944 124.938 119.914 0.133 0.000 2.513 1415 V HA 0.408 4.528 4.120 0.000 0.000 0.299 1415 V C 0.142 176.272 176.094 0.059 0.000 1.035 1415 V CA -0.492 61.856 62.300 0.081 0.000 0.889 1415 V CB 2.140 34.028 31.823 0.108 0.000 0.988 1415 V HN 0.495 nan 8.190 nan 0.000 0.440 1416 I N 5.094 125.665 120.570 0.002 0.000 2.276 1416 I HA 0.266 4.437 4.170 0.000 0.000 0.290 1416 I C 0.535 176.652 176.117 0.001 0.000 1.109 1416 I CA -0.128 61.168 61.300 -0.006 0.000 1.229 1416 I CB 0.292 38.265 38.000 -0.045 0.000 1.452 1416 I HN 0.733 nan 8.210 nan 0.000 0.497 1417 E N 6.684 126.913 120.200 0.050 0.000 2.146 1417 E HA 0.368 4.719 4.350 0.000 0.000 0.282 1417 E C -0.171 176.456 176.600 0.045 0.000 0.989 1417 E CA -0.490 55.946 56.400 0.060 0.000 0.799 1417 E CB 1.553 31.322 29.700 0.114 0.000 1.088 1417 E HN 0.597 nan 8.360 nan 0.000 0.397 1418 E N 2.752 122.967 120.200 0.025 0.000 3.213 1418 E HA -0.334 4.016 4.350 0.000 0.000 0.374 1418 E C -0.092 176.516 176.600 0.014 0.000 1.500 1418 E CA 2.027 58.439 56.400 0.019 0.000 1.497 1418 E CB -0.863 28.858 29.700 0.035 0.000 1.692 1418 E HN 0.729 nan 8.360 nan 0.000 0.494 1419 N N 1.143 119.859 118.700 0.027 0.000 2.275 1419 N HA 0.235 4.975 4.740 0.000 0.000 0.236 1419 N C -0.829 174.708 175.510 0.045 0.000 1.154 1419 N CA 0.040 53.108 53.050 0.030 0.000 0.866 1419 N CB 0.757 39.263 38.487 0.031 0.000 1.093 1419 N HN 0.029 nan 8.380 nan 0.000 0.515 1420 K N 0.395 120.825 120.400 0.050 0.000 2.328 1420 K HA 0.558 4.879 4.320 0.000 0.000 0.246 1420 K C -1.173 175.468 176.600 0.069 0.000 0.955 1420 K CA -0.965 55.362 56.287 0.067 0.000 0.817 1420 K CB 1.673 34.213 32.500 0.067 0.000 1.208 1420 K HN -0.087 nan 8.250 nan 0.000 0.432 1421 V N 0.527 120.493 119.914 0.086 0.000 2.409 1421 V HA 0.653 4.773 4.120 0.000 0.000 0.291 1421 V C -0.614 175.523 176.094 0.073 0.000 1.020 1421 V CA -0.841 61.494 62.300 0.059 0.000 0.848 1421 V CB 1.358 33.177 31.823 -0.008 0.000 0.990 1421 V HN 0.734 nan 8.190 nan 0.000 0.430 1422 R N 3.695 124.255 120.500 0.099 0.000 2.407 1422 R HA 0.500 4.840 4.340 0.000 0.000 0.303 1422 R C -0.296 176.081 176.300 0.127 0.000 0.981 1422 R CA -0.491 55.664 56.100 0.091 0.000 0.905 1422 R CB 1.540 31.904 30.300 0.106 0.000 1.099 1422 R HN 0.904 nan 8.270 nan 0.000 0.459 1423 Q N 2.624 122.451 119.800 0.045 0.000 2.261 1423 Q HA 0.208 4.548 4.340 0.000 0.000 0.252 1423 Q C -1.393 174.633 176.000 0.043 0.000 0.915 1423 Q CA -0.020 55.843 55.803 0.100 0.000 0.915 1423 Q CB 1.371 30.161 28.738 0.086 0.000 1.204 1423 Q HN 0.541 nan 8.270 nan 0.000 0.421 1424 Y N 0.594 120.990 120.300 0.160 0.000 2.442 1424 Y HA 0.232 4.783 4.550 0.000 0.000 0.344 1424 Y C -0.563 175.480 175.900 0.239 0.000 0.976 1424 Y CA -1.055 57.166 58.100 0.202 0.000 1.040 1424 Y CB 1.862 40.456 38.460 0.222 0.000 1.228 1424 Y HN 0.489 nan 8.280 nan 0.000 0.451 1425 D N 3.259 123.861 120.400 0.337 0.000 2.373 1425 D HA 0.365 5.005 4.640 0.000 0.000 0.227 1425 D C -0.505 175.992 176.300 0.328 0.000 1.091 1425 D CA 0.324 54.493 54.000 0.281 0.000 0.840 1425 D CB 1.423 42.330 40.800 0.178 0.000 1.060 1425 D HN 0.710 nan 8.370 nan 0.000 0.502 1426 S N 1.058 116.999 115.700 0.402 0.000 3.273 1426 S HA -0.183 4.287 4.470 0.000 0.000 0.842 1426 S C 0.738 175.503 174.600 0.276 0.000 1.077 1426 S CA -0.607 57.810 58.200 0.362 0.000 1.159 1426 S CB -0.925 62.410 63.200 0.224 0.000 0.798 1426 S HN 0.447 nan 8.310 nan 0.000 0.271 1427 I N 1.466 122.113 120.570 0.128 0.000 2.286 1427 I HA -0.148 4.022 4.170 0.000 0.000 0.248 1427 I C 2.556 178.645 176.117 -0.047 0.000 1.115 1427 I CA 1.619 62.828 61.300 -0.151 0.000 1.392 1427 I CB -0.357 37.565 38.000 -0.131 0.000 1.065 1427 I HN 0.684 nan 8.210 nan 0.000 0.418 1428 L N 0.880 122.113 121.223 0.016 0.000 2.081 1428 L HA -0.283 4.057 4.340 0.000 0.000 0.212 1428 L C 2.406 179.355 176.870 0.131 0.000 1.080 1428 L CA 1.930 56.771 54.840 0.002 0.000 0.754 1428 L CB -0.552 41.542 42.059 0.058 0.000 0.893 1428 L HN 0.239 nan 8.230 nan 0.000 0.433 1429 E N -0.871 119.476 120.200 0.245 0.000 2.072 1429 E HA -0.211 4.139 4.350 0.000 0.000 0.191 1429 E C 2.268 179.106 176.600 0.396 0.000 0.985 1429 E CA 1.148 57.798 56.400 0.416 0.000 0.801 1429 E CB -0.126 29.892 29.700 0.531 0.000 0.750 1429 E HN 0.529 nan 8.360 nan 0.000 0.452 1430 L N -0.025 121.274 121.223 0.125 0.000 2.083 1430 L HA -0.187 4.153 4.340 0.000 0.000 0.209 1430 L C 2.454 179.309 176.870 -0.026 0.000 1.083 1430 L CA 1.209 55.949 54.840 -0.168 0.000 0.752 1430 L CB -0.466 41.335 42.059 -0.431 0.000 0.899 1430 L HN 0.278 nan 8.230 nan 0.000 0.433 1431 Y N -0.434 119.780 120.300 -0.144 0.000 2.200 1431 Y HA -0.242 4.308 4.550 0.000 0.000 0.290 1431 Y C 2.787 178.608 175.900 -0.132 0.000 1.137 1431 Y CA 1.660 59.650 58.100 -0.183 0.000 1.163 1431 Y CB -0.044 38.240 38.460 -0.293 0.000 0.988 1431 Y HN 0.161 nan 8.280 nan 0.000 0.518 1432 H N -1.604 117.504 119.070 0.062 0.000 2.403 1432 H HA 0.022 4.579 4.556 0.000 0.000 0.298 1432 H C -0.183 174.969 175.328 -0.293 0.000 1.059 1432 H CA 1.258 57.157 56.048 -0.249 0.000 1.363 1432 H CB -0.155 29.229 29.762 -0.630 0.000 1.410 1432 H HN 0.308 nan 8.280 nan 0.000 0.528 1433 Y N 1.073 121.607 120.300 0.390 0.000 2.495 1433 Y HA 0.289 4.839 4.550 0.000 0.000 0.362 1433 Y C -2.289 173.802 175.900 0.318 0.000 0.956 1433 Y CA -3.378 54.929 58.100 0.346 0.000 1.127 1433 Y CB 0.393 39.038 38.460 0.310 0.000 1.173 1433 Y HN 0.031 nan 8.280 nan 0.000 0.639 1434 P HA 0.104 nan 4.420 nan 0.000 0.271 1434 P C 0.528 178.029 177.300 0.335 0.000 1.216 1434 P CA 0.266 63.500 63.100 0.224 0.000 0.776 1434 P CB 1.903 33.671 31.700 0.113 0.000 0.881 1435 A N 2.835 125.842 122.820 0.312 0.000 2.072 1435 A HA 0.045 4.366 4.320 0.000 0.000 0.216 1435 A C 0.480 178.253 177.584 0.314 0.000 1.156 1435 A CA 1.146 53.365 52.037 0.304 0.000 0.701 1435 A CB -0.569 18.600 19.000 0.282 0.000 0.816 1435 A HN 0.708 nan 8.150 nan 0.000 0.458 1436 D N -4.360 116.233 120.400 0.322 0.000 2.643 1436 D HA 0.315 4.955 4.640 0.000 0.000 0.283 1436 D C 0.347 176.665 176.300 0.029 0.000 1.242 1436 D CA -0.772 53.399 54.000 0.285 0.000 0.863 1436 D CB 0.452 41.347 40.800 0.158 0.000 1.382 1436 D HN -0.138 nan 8.370 nan 0.000 0.444 1437 R N -0.756 119.503 120.500 -0.403 0.000 2.117 1437 R HA -0.121 4.219 4.340 0.000 0.000 0.243 1437 R C 1.703 177.828 176.300 -0.293 0.000 1.143 1437 R CA 1.484 57.122 56.100 -0.770 0.000 0.968 1437 R CB -0.434 29.384 30.300 -0.803 0.000 0.863 1437 R HN 0.473 nan 8.270 nan 0.000 0.444 1438 F N 0.239 120.055 119.950 -0.224 0.000 2.051 1438 F HA -0.219 4.308 4.527 0.000 0.000 0.296 1438 F C 1.918 177.696 175.800 -0.037 0.000 1.122 1438 F CA 1.745 59.676 58.000 -0.115 0.000 1.201 1438 F CB -0.551 38.383 39.000 -0.110 0.000 0.978 1438 F HN -0.207 nan 8.300 nan 0.000 0.472 1439 V N 0.859 120.767 119.914 -0.009 0.000 2.392 1439 V HA -0.321 3.799 4.120 0.000 0.000 0.249 1439 V C 2.750 178.792 176.094 -0.087 0.000 1.059 1439 V CA 1.741 63.981 62.300 -0.099 0.000 1.051 1439 V CB -1.773 30.041 31.823 -0.016 0.000 0.658 1439 V HN 0.538 nan 8.190 nan 0.000 0.455 1440 A N 0.503 123.292 122.820 -0.051 0.000 1.933 1440 A HA -0.082 4.238 4.320 0.000 0.000 0.218 1440 A C 2.315 179.877 177.584 -0.036 0.000 1.175 1440 A CA 1.943 53.954 52.037 -0.045 0.000 0.628 1440 A CB -0.894 18.136 19.000 0.050 0.000 0.814 1440 A HN 0.560 nan 8.150 nan 0.000 0.444 1441 G N -2.725 106.059 108.800 -0.026 0.000 2.744 1441 G HA2 0.077 4.037 3.960 0.000 0.000 0.211 1441 G HA3 0.077 4.037 3.960 0.000 0.000 0.211 1441 G C 1.207 176.025 174.900 -0.136 0.000 1.146 1441 G CA 0.566 45.648 45.100 -0.031 0.000 0.787 1441 G HN 0.409 nan 8.290 nan 0.000 0.534 1442 F N 1.022 120.733 119.950 -0.398 0.000 2.259 1442 F HA 0.292 4.820 4.527 0.000 0.000 0.298 1442 F C 0.654 176.303 175.800 -0.252 0.000 1.088 1442 F CA 0.314 58.053 58.000 -0.434 0.000 1.358 1442 F CB 0.340 38.973 39.000 -0.612 0.000 1.040 1442 F HN -0.136 nan 8.300 nan 0.000 0.505 1443 I N 0.315 120.836 120.570 -0.081 0.000 2.474 1443 I HA 0.510 4.680 4.170 0.000 0.000 0.294 1443 I C 0.330 176.425 176.117 -0.037 0.000 1.005 1443 I CA -0.400 60.858 61.300 -0.070 0.000 1.113 1443 I CB 0.608 38.611 38.000 0.005 0.000 1.289 1443 I HN 0.125 nan 8.210 nan 0.000 0.436 1444 G N 3.622 112.415 108.800 -0.012 0.000 3.409 1444 G HA2 -0.037 3.923 3.960 0.000 0.000 0.686 1444 G HA3 -0.037 3.923 3.960 0.000 0.000 0.686 1444 G C -0.674 174.196 174.900 -0.050 0.000 1.017 1444 G CA -0.414 44.703 45.100 0.029 0.000 0.854 1444 G HN 0.803 nan 8.290 nan 0.000 0.508 1445 S N 3.653 119.320 115.700 -0.055 0.000 2.594 1445 S HA 0.823 5.293 4.470 0.000 0.000 0.296 1445 S C -1.462 173.105 174.600 -0.055 0.000 1.124 1445 S CA -0.737 57.424 58.200 -0.065 0.000 1.011 1445 S CB 1.402 64.556 63.200 -0.076 0.000 1.016 1445 S HN 0.850 nan 8.310 nan 0.000 0.485 1446 P HA 0.201 nan 4.420 nan 0.000 0.272 1446 P C -0.527 176.733 177.300 -0.067 0.000 1.223 1446 P CA -0.471 62.597 63.100 -0.053 0.000 0.784 1446 P CB 0.449 32.117 31.700 -0.053 0.000 0.923 1447 K N 1.464 121.829 120.400 -0.059 0.000 2.469 1447 K HA 0.054 4.374 4.320 0.000 0.000 0.274 1447 K C 0.734 177.268 176.600 -0.109 0.000 0.983 1447 K CA -0.245 56.005 56.287 -0.062 0.000 0.974 1447 K CB 0.206 32.700 32.500 -0.010 0.000 0.913 1447 K HN 0.514 nan 8.250 nan 0.000 0.493 1448 M N 3.670 123.162 119.600 -0.179 0.000 2.250 1448 M HA -0.049 4.431 4.480 0.000 0.000 0.337 1448 M C -0.360 175.629 176.300 -0.517 0.000 1.161 1448 M CA 0.330 55.410 55.300 -0.366 0.000 1.088 1448 M CB 0.369 32.660 32.600 -0.514 0.000 1.639 1448 M HN 0.518 nan 8.290 nan 0.000 0.447 1449 N N 4.227 122.670 118.700 -0.428 0.000 2.529 1449 N HA 0.289 5.029 4.740 0.000 0.000 0.278 1449 N C -1.686 173.507 175.510 -0.529 0.000 1.146 1449 N CA 0.313 53.173 53.050 -0.316 0.000 0.980 1449 N CB 0.630 39.036 38.487 -0.135 0.000 1.124 1449 N HN 0.445 nan 8.380 nan 0.000 0.458 1450 F N 1.698 121.667 119.950 0.032 0.000 2.445 1450 F HA 0.366 4.893 4.527 0.000 0.000 0.348 1450 F C -0.368 175.461 175.800 0.047 0.000 1.125 1450 F CA -0.803 57.229 58.000 0.054 0.000 0.983 1450 F CB 0.975 39.986 39.000 0.019 0.000 1.198 1450 F HN 0.097 nan 8.300 nan 0.000 0.436 1451 L N 5.847 127.186 121.223 0.192 0.000 2.272 1451 L HA 0.523 4.863 4.340 0.000 0.000 0.289 1451 L C -2.348 174.598 176.870 0.125 0.000 1.032 1451 L CA -1.873 53.040 54.840 0.122 0.000 0.810 1451 L CB 0.755 42.855 42.059 0.067 0.000 1.205 1451 L HN 0.281 nan 8.230 nan 0.000 0.422 1452 P HA 0.113 nan 4.420 nan 0.000 0.267 1452 P C -0.851 176.481 177.300 0.052 0.000 1.209 1452 P CA -0.057 63.088 63.100 0.074 0.000 0.763 1452 P CB 0.635 32.366 31.700 0.052 0.000 0.816 1453 V N 0.635 120.579 119.914 0.050 0.000 3.102 1453 V HA 0.714 4.834 4.120 0.000 0.000 0.312 1453 V C -0.604 175.496 176.094 0.010 0.000 1.135 1453 V CA -1.344 60.969 62.300 0.021 0.000 1.022 1453 V CB 2.524 34.355 31.823 0.014 0.000 1.056 1453 V HN 0.114 nan 8.190 nan 0.000 0.436 1454 K N 1.265 121.657 120.400 -0.013 0.000 2.358 1454 K HA 0.693 5.013 4.320 0.000 0.000 0.260 1454 K C -1.088 175.486 176.600 -0.044 0.000 0.956 1454 K CA -0.545 55.729 56.287 -0.021 0.000 0.834 1454 K CB 1.837 34.322 32.500 -0.024 0.000 1.102 1454 K HN 0.738 nan 8.250 nan 0.000 0.431 1455 V N 4.316 124.207 119.914 -0.039 0.000 2.479 1455 V HA 0.041 4.161 4.120 0.000 0.000 0.281 1455 V C 1.175 177.221 176.094 -0.080 0.000 1.031 1455 V CA 0.548 62.810 62.300 -0.063 0.000 1.038 1455 V CB 0.766 32.568 31.823 -0.035 0.000 0.981 1455 V HN 1.068 nan 8.190 nan 0.000 0.478 1456 T N 1.140 115.613 114.554 -0.134 0.000 2.990 1456 T HA 0.606 4.956 4.350 0.000 0.000 0.250 1456 T C 0.375 174.987 174.700 -0.146 0.000 1.041 1456 T CA 0.469 62.489 62.100 -0.135 0.000 1.010 1456 T CB 0.547 69.318 68.868 -0.161 0.000 1.003 1456 T HN 1.034 nan 8.240 nan 0.000 0.499 1457 A N 1.125 123.825 122.820 -0.200 0.000 2.605 1457 A HA 0.693 5.013 4.320 0.000 0.000 0.294 1457 A C -0.472 177.087 177.584 -0.042 0.000 1.062 1457 A CA -0.632 51.328 52.037 -0.128 0.000 0.682 1457 A CB 1.179 20.063 19.000 -0.192 0.000 1.278 1457 A HN 0.566 nan 8.150 nan 0.000 0.410 1458 T N -1.170 113.464 114.554 0.134 0.000 2.906 1458 T HA 0.998 5.348 4.350 0.000 0.000 0.295 1458 T C -0.156 174.710 174.700 0.276 0.000 1.075 1458 T CA -0.030 62.197 62.100 0.210 0.000 1.005 1458 T CB 1.735 70.668 68.868 0.109 0.000 1.136 1458 T HN 2.437 nan 8.240 nan 0.000 0.498 1459 A N 1.195 124.156 122.820 0.234 0.000 2.534 1459 A HA 0.722 5.043 4.320 0.000 0.000 0.300 1459 A C -1.058 176.558 177.584 0.052 0.000 1.223 1459 A CA -1.049 51.051 52.037 0.104 0.000 0.666 1459 A CB 0.808 19.804 19.000 -0.008 0.000 1.316 1459 A HN 0.832 nan 8.150 nan 0.000 0.468 1460 I N 1.847 122.419 120.570 0.002 0.000 2.505 1460 I HA 0.166 4.336 4.170 0.000 0.000 0.287 1460 I C -0.192 175.917 176.117 -0.014 0.000 1.104 1460 I CA 1.035 62.332 61.300 -0.004 0.000 1.387 1460 I CB -0.416 37.573 38.000 -0.019 0.000 1.404 1460 I HN 0.705 nan 8.210 nan 0.000 0.528 1461 D N 3.923 124.327 120.400 0.007 0.000 3.077 1461 D HA -0.195 4.445 4.640 0.000 0.000 0.212 1461 D C 0.188 176.505 176.300 0.029 0.000 1.125 1461 D CA 1.035 55.039 54.000 0.007 0.000 0.970 1461 D CB -0.783 40.008 40.800 -0.014 0.000 1.110 1461 D HN 0.678 nan 8.370 nan 0.000 0.419 1462 Q N -0.626 119.217 119.800 0.070 0.000 2.315 1462 Q HA 0.626 4.967 4.340 0.000 0.000 0.273 1462 Q C -1.104 175.090 176.000 0.322 0.000 1.053 1462 Q CA -0.718 55.192 55.803 0.178 0.000 0.817 1462 Q CB 3.304 32.072 28.738 0.050 0.000 1.326 1462 Q HN -0.049 nan 8.270 nan 0.000 0.423 1463 V N 2.299 122.404 119.914 0.319 0.000 2.525 1463 V HA 0.300 4.420 4.120 0.000 0.000 0.299 1463 V C -0.665 175.460 176.094 0.052 0.000 1.034 1463 V CA -0.715 61.700 62.300 0.191 0.000 0.863 1463 V CB 1.857 33.725 31.823 0.074 0.000 0.999 1463 V HN 0.693 nan 8.190 nan 0.000 0.423 1464 Q N 3.672 123.272 119.800 -0.332 0.000 2.274 1464 Q HA 0.687 5.028 4.340 0.000 0.000 0.256 1464 Q C -0.845 174.931 176.000 -0.374 0.000 0.927 1464 Q CA -0.435 54.940 55.803 -0.713 0.000 0.939 1464 Q CB 1.870 29.622 28.738 -1.643 0.000 1.201 1464 Q HN 0.787 nan 8.270 nan 0.000 0.426 1465 V N 0.468 120.223 119.914 -0.266 0.000 2.960 1465 V HA 0.632 4.752 4.120 0.000 0.000 0.315 1465 V C -0.816 175.188 176.094 -0.150 0.000 1.087 1465 V CA -0.963 61.242 62.300 -0.159 0.000 0.982 1465 V CB 1.889 33.663 31.823 -0.082 0.000 1.039 1465 V HN 0.874 nan 8.190 nan 0.000 0.437 1466 E N 1.907 122.044 120.200 -0.105 0.000 2.171 1466 E HA 0.563 4.914 4.350 0.000 0.000 0.271 1466 E C -1.385 175.183 176.600 -0.052 0.000 0.916 1466 E CA -0.829 55.520 56.400 -0.086 0.000 0.774 1466 E CB 1.960 31.613 29.700 -0.079 0.000 1.128 1466 E HN 0.763 nan 8.360 nan 0.000 0.403 1467 L N 6.036 127.231 121.223 -0.047 0.000 2.326 1467 L HA 0.268 4.608 4.340 0.000 0.000 0.278 1467 L C -1.525 175.332 176.870 -0.022 0.000 1.092 1467 L CA -1.567 53.255 54.840 -0.029 0.000 0.810 1467 L CB 1.023 43.063 42.059 -0.031 0.000 1.153 1467 L HN 0.488 nan 8.230 nan 0.000 0.439 1468 P HA 0.019 nan 4.420 nan 0.000 0.256 1468 P C -0.002 177.294 177.300 -0.007 0.000 1.335 1468 P CA 0.125 63.221 63.100 -0.007 0.000 0.808 1468 P CB 0.224 31.926 31.700 0.003 0.000 1.305 1469 M N 1.490 121.083 119.600 -0.012 0.000 2.202 1469 M HA 0.201 4.681 4.480 0.000 0.000 0.316 1469 M C -0.960 175.333 176.300 -0.011 0.000 1.138 1469 M CA -2.307 52.986 55.300 -0.011 0.000 1.151 1469 M CB -0.267 32.323 32.600 -0.017 0.000 1.422 1469 M HN -0.246 nan 8.290 nan 0.000 0.471 1470 P HA -0.162 nan 4.420 nan 0.000 0.216 1470 P C -0.674 176.619 177.300 -0.013 0.000 1.150 1470 P CA 1.431 64.526 63.100 -0.009 0.000 0.843 1470 P CB -0.604 31.093 31.700 -0.006 0.000 0.787 1471 N N 0.501 119.191 118.700 -0.016 0.000 3.188 1471 N HA 0.105 4.845 4.740 0.000 0.000 0.279 1471 N C -0.005 175.490 175.510 -0.024 0.000 1.213 1471 N CA -0.613 52.425 53.050 -0.021 0.000 1.138 1471 N CB -0.051 38.421 38.487 -0.025 0.000 1.417 1471 N HN -0.209 nan 8.380 nan 0.000 0.526 1472 R N 1.476 121.963 120.500 -0.023 0.000 2.537 1472 R HA -0.008 4.332 4.340 0.000 0.000 0.281 1472 R C -0.248 176.032 176.300 -0.033 0.000 0.988 1472 R CA 0.516 56.600 56.100 -0.027 0.000 1.077 1472 R CB 0.217 30.502 30.300 -0.026 0.000 0.932 1472 R HN 0.702 nan 8.270 nan 0.000 0.409 1473 Q N 1.716 121.492 119.800 -0.041 0.000 2.340 1473 Q HA 0.232 4.572 4.340 0.000 0.000 0.276 1473 Q C -1.450 174.509 176.000 -0.069 0.000 1.048 1473 Q CA -0.514 55.260 55.803 -0.048 0.000 0.832 1473 Q CB 2.331 31.042 28.738 -0.044 0.000 1.373 1473 Q HN 0.456 nan 8.270 nan 0.000 0.409 1474 Q N 1.681 121.430 119.800 -0.084 0.000 2.325 1474 Q HA 0.577 4.917 4.340 0.000 0.000 0.270 1474 Q C -1.578 174.332 176.000 -0.150 0.000 1.020 1474 Q CA -0.575 55.144 55.803 -0.141 0.000 0.785 1474 Q CB 2.889 31.525 28.738 -0.170 0.000 1.259 1474 Q HN 0.425 nan 8.270 nan 0.000 0.452 1475 V N 2.955 122.767 119.914 -0.169 0.000 2.604 1475 V HA 0.507 4.627 4.120 0.000 0.000 0.305 1475 V C -1.574 174.427 176.094 -0.155 0.000 1.043 1475 V CA -0.660 61.576 62.300 -0.107 0.000 0.888 1475 V CB 1.080 32.876 31.823 -0.045 0.000 0.995 1475 V HN 0.782 nan 8.190 nan 0.000 0.429 1476 W N 6.307 127.593 121.300 -0.025 0.000 2.311 1476 W HA 0.572 5.232 4.660 0.000 0.000 0.310 1476 W C -0.182 176.317 176.519 -0.034 0.000 1.274 1476 W CA -0.354 56.976 57.345 -0.024 0.000 1.215 1476 W CB 0.984 30.431 29.460 -0.021 0.000 1.227 1476 W HN 0.395 nan 8.180 nan 0.000 0.523 1477 L N 6.768 128.127 121.223 0.227 0.000 2.307 1477 L HA 0.350 4.690 4.340 0.000 0.000 0.284 1477 L C -1.651 175.289 176.870 0.117 0.000 1.023 1477 L CA -2.223 52.683 54.840 0.109 0.000 0.810 1477 L CB 1.617 43.696 42.059 0.034 0.000 1.231 1477 L HN 0.173 nan 8.230 nan 0.000 0.423 1478 P HA 0.077 nan 4.420 nan 0.000 0.231 1478 P C -0.479 176.844 177.300 0.038 0.000 1.756 1478 P CA 0.250 63.379 63.100 0.049 0.000 0.990 1478 P CB 0.466 32.190 31.700 0.041 0.000 1.973 1479 V N 0.806 120.747 119.914 0.045 0.000 2.914 1479 V HA 0.253 4.374 4.120 0.000 0.000 0.314 1479 V C 0.213 176.327 176.094 0.034 0.000 1.084 1479 V CA -1.214 61.102 62.300 0.026 0.000 0.963 1479 V CB 2.729 34.554 31.823 0.003 0.000 1.025 1479 V HN 0.155 nan 8.190 nan 0.000 0.432 1480 E N 1.727 121.940 120.200 0.021 0.000 2.417 1480 E HA 0.035 4.385 4.350 0.000 0.000 0.261 1480 E C 0.951 177.570 176.600 0.032 0.000 1.000 1480 E CA 0.605 57.018 56.400 0.022 0.000 0.919 1480 E CB 1.031 30.740 29.700 0.015 0.000 0.955 1480 E HN 0.736 nan 8.360 nan 0.000 0.455 1481 S N 4.585 120.308 115.700 0.039 0.000 2.496 1481 S HA -0.027 4.443 4.470 0.000 0.000 0.224 1481 S C 0.877 175.500 174.600 0.039 0.000 0.996 1481 S CA -0.082 58.147 58.200 0.049 0.000 0.927 1481 S CB 0.124 63.359 63.200 0.058 0.000 0.774 1481 S HN 0.513 nan 8.310 nan 0.000 0.524 1482 R N 1.587 122.106 120.500 0.031 0.000 2.538 1482 R HA -0.057 4.283 4.340 0.000 0.000 0.282 1482 R C -0.246 176.073 176.300 0.032 0.000 1.009 1482 R CA 1.041 57.159 56.100 0.029 0.000 1.063 1482 R CB -0.128 30.187 30.300 0.025 0.000 0.945 1482 R HN 0.324 nan 8.270 nan 0.000 0.414 1483 D N 1.831 122.250 120.400 0.031 0.000 2.723 1483 D HA -0.152 4.488 4.640 0.000 0.000 0.236 1483 D C -1.604 174.717 176.300 0.034 0.000 1.138 1483 D CA 0.846 54.865 54.000 0.032 0.000 0.676 1483 D CB -0.430 40.391 40.800 0.035 0.000 1.069 1483 D HN 0.166 nan 8.370 nan 0.000 0.430 1484 V N 1.130 121.064 119.914 0.033 0.000 2.443 1484 V HA 0.508 4.628 4.120 0.000 0.000 0.293 1484 V C 0.153 176.263 176.094 0.027 0.000 1.021 1484 V CA -0.784 61.535 62.300 0.031 0.000 0.848 1484 V CB 1.773 33.617 31.823 0.033 0.000 0.998 1484 V HN 0.180 nan 8.190 nan 0.000 0.424 1485 Q N 3.814 123.627 119.800 0.022 0.000 2.293 1485 Q HA 0.541 4.881 4.340 0.000 0.000 0.261 1485 Q C -0.717 175.289 176.000 0.009 0.000 0.960 1485 Q CA -0.387 55.426 55.803 0.017 0.000 0.882 1485 Q CB 1.937 30.685 28.738 0.017 0.000 1.275 1485 Q HN 0.545 nan 8.270 nan 0.000 0.445 1486 V N 4.364 124.282 119.914 0.006 0.000 2.644 1486 V HA 0.231 4.351 4.120 0.000 0.000 0.305 1486 V C 1.473 177.563 176.094 -0.007 0.000 1.053 1486 V CA 2.143 64.439 62.300 -0.007 0.000 1.186 1486 V CB 0.352 32.172 31.823 -0.005 0.000 0.895 1486 V HN 1.082 nan 8.190 nan 0.000 0.490 1487 G N 3.537 112.329 108.800 -0.014 0.000 2.195 1487 G HA2 -0.107 3.853 3.960 0.000 0.000 0.246 1487 G HA3 -0.107 3.853 3.960 0.000 0.000 0.246 1487 G C 0.389 175.286 174.900 -0.004 0.000 0.984 1487 G CA 0.151 45.245 45.100 -0.010 0.000 0.633 1487 G HN 1.575 nan 8.290 nan 0.000 0.525 1488 A N 0.219 123.039 122.820 0.000 0.000 2.388 1488 A HA 0.598 4.918 4.320 0.000 0.000 0.257 1488 A C 0.448 178.039 177.584 0.011 0.000 1.095 1488 A CA -0.175 51.868 52.037 0.009 0.000 0.791 1488 A CB 0.254 19.263 19.000 0.016 0.000 1.029 1488 A HN 0.342 nan 8.150 nan 0.000 0.489 1489 N N 1.762 120.473 118.700 0.018 0.000 2.520 1489 N HA 0.420 5.160 4.740 0.000 0.000 0.273 1489 N C -0.448 175.088 175.510 0.043 0.000 1.155 1489 N CA 0.468 53.533 53.050 0.026 0.000 0.967 1489 N CB 0.846 39.347 38.487 0.024 0.000 1.092 1489 N HN 0.557 nan 8.380 nan 0.000 0.457 1490 M N 0.306 119.940 119.600 0.056 0.000 2.484 1490 M HA 0.232 4.712 4.480 0.000 0.000 0.289 1490 M C -0.552 175.826 176.300 0.130 0.000 1.206 1490 M CA -0.608 54.747 55.300 0.092 0.000 0.892 1490 M CB 2.020 34.664 32.600 0.074 0.000 1.712 1490 M HN 0.173 nan 8.290 nan 0.000 0.462 1491 S N 2.341 118.168 115.700 0.211 0.000 2.465 1491 S HA 0.504 4.974 4.470 0.000 0.000 0.279 1491 S C -0.492 174.334 174.600 0.378 0.000 1.201 1491 S CA -0.603 57.782 58.200 0.308 0.000 1.053 1491 S CB 0.434 63.847 63.200 0.354 0.000 0.953 1491 S HN 0.575 nan 8.310 nan 0.000 0.488 1492 L N 4.400 125.787 121.223 0.273 0.000 2.265 1492 L HA 0.679 5.020 4.340 0.000 0.000 0.288 1492 L C 0.425 177.441 176.870 0.242 0.000 1.058 1492 L CA -0.201 54.762 54.840 0.205 0.000 0.809 1492 L CB 0.463 42.578 42.059 0.094 0.000 1.179 1492 L HN 0.668 nan 8.230 nan 0.000 0.429 1493 G N 5.438 114.398 108.800 0.268 0.000 2.343 1493 G HA2 0.578 4.538 3.960 0.000 0.000 0.319 1493 G HA3 0.578 4.538 3.960 0.000 0.000 0.319 1493 G C -1.422 173.538 174.900 0.100 0.000 1.126 1493 G CA -0.355 44.838 45.100 0.155 0.000 0.889 1493 G HN 0.561 nan 8.290 nan 0.000 0.457 1494 I N 1.061 121.609 120.570 -0.037 0.000 2.571 1494 I HA 0.425 4.595 4.170 0.000 0.000 0.289 1494 I C -0.153 175.944 176.117 -0.032 0.000 1.115 1494 I CA -0.858 60.461 61.300 0.031 0.000 1.045 1494 I CB 1.818 39.831 38.000 0.023 0.000 1.238 1494 I HN 0.497 nan 8.210 nan 0.000 0.424 1495 R N 7.736 128.263 120.500 0.046 0.000 2.390 1495 R HA 0.310 4.650 4.340 0.000 0.000 0.291 1495 R C -1.800 174.459 176.300 -0.067 0.000 1.070 1495 R CA -1.332 54.714 56.100 -0.090 0.000 1.014 1495 R CB 0.287 30.457 30.300 -0.217 0.000 1.007 1495 R HN 0.402 nan 8.270 nan 0.000 0.466 1496 P HA -0.235 nan 4.420 nan 0.000 0.218 1496 P C 0.224 177.546 177.300 0.036 0.000 1.152 1496 P CA 1.473 64.579 63.100 0.011 0.000 0.857 1496 P CB 0.281 31.954 31.700 -0.045 0.000 0.787 1497 E N -2.193 117.951 120.200 -0.093 0.000 2.268 1497 E HA -0.164 4.186 4.350 0.000 0.000 0.195 1497 E C 1.578 178.185 176.600 0.012 0.000 0.995 1497 E CA 1.057 57.402 56.400 -0.093 0.000 0.836 1497 E CB -0.941 28.649 29.700 -0.183 0.000 0.763 1497 E HN 0.568 nan 8.360 nan 0.000 0.491 1498 H N -0.488 118.646 119.070 0.107 0.000 2.562 1498 H HA 0.205 4.762 4.556 0.000 0.000 0.267 1498 H C 0.117 175.489 175.328 0.074 0.000 0.959 1498 H CA -0.601 55.498 56.048 0.085 0.000 1.204 1498 H CB 0.303 30.099 29.762 0.057 0.000 1.430 1498 H HN 0.012 nan 8.280 nan 0.000 0.545 1499 L N 2.230 123.576 121.223 0.206 0.000 2.490 1499 L HA 0.011 4.351 4.340 0.000 0.000 0.274 1499 L C -0.285 176.662 176.870 0.129 0.000 1.201 1499 L CA 0.181 55.085 54.840 0.106 0.000 0.869 1499 L CB 0.545 42.634 42.059 0.050 0.000 1.123 1499 L HN 0.136 nan 8.230 nan 0.000 0.484 1500 L N 4.599 125.817 121.223 -0.008 0.000 2.352 1500 L HA 0.512 4.853 4.340 0.000 0.000 0.269 1500 L C -2.047 174.774 176.870 -0.082 0.000 1.034 1500 L CA -2.101 52.747 54.840 0.012 0.000 0.806 1500 L CB 1.268 43.322 42.059 -0.008 0.000 1.244 1500 L HN 0.397 nan 8.230 nan 0.000 0.447 1501 P HA 0.024 nan 4.420 nan 0.000 0.268 1501 P C 0.367 177.609 177.300 -0.097 0.000 1.205 1501 P CA -0.213 62.871 63.100 -0.026 0.000 0.771 1501 P CB 0.879 32.623 31.700 0.074 0.000 0.858 1502 S N 1.299 116.895 115.700 -0.174 0.000 2.420 1502 S HA -0.199 4.272 4.470 0.000 0.000 0.237 1502 S C 1.031 175.576 174.600 -0.092 0.000 1.023 1502 S CA 1.395 59.495 58.200 -0.166 0.000 0.991 1502 S CB -0.946 62.120 63.200 -0.223 0.000 0.792 1502 S HN 0.403 nan 8.310 nan 0.000 0.488 1503 D N 0.916 121.281 120.400 -0.057 0.000 2.378 1503 D HA 0.093 4.734 4.640 0.000 0.000 0.222 1503 D C 1.263 177.550 176.300 -0.022 0.000 0.980 1503 D CA 0.441 54.423 54.000 -0.030 0.000 0.907 1503 D CB -0.042 40.753 40.800 -0.009 0.000 0.899 1503 D HN 0.408 nan 8.370 nan 0.000 0.527 1504 I N -0.347 120.207 120.570 -0.027 0.000 4.032 1504 I HA 0.212 4.382 4.170 0.000 0.000 0.313 1504 I C 0.950 177.051 176.117 -0.025 0.000 1.272 1504 I CA 0.011 61.301 61.300 -0.017 0.000 1.307 1504 I CB -0.636 37.362 38.000 -0.003 0.000 1.155 1504 I HN -0.214 nan 8.210 nan 0.000 0.431 1505 A N 0.733 123.528 122.820 -0.041 0.000 2.306 1505 A HA 0.435 4.755 4.320 0.000 0.000 0.330 1505 A C 0.540 178.099 177.584 -0.042 0.000 1.146 1505 A CA -0.331 51.680 52.037 -0.044 0.000 0.827 1505 A CB 0.830 19.794 19.000 -0.060 0.000 1.178 1505 A HN 0.078 nan 8.150 nan 0.000 0.490 1506 D N 0.041 120.421 120.400 -0.033 0.000 2.183 1506 D HA 0.049 4.689 4.640 0.000 0.000 0.205 1506 D C 0.396 176.676 176.300 -0.034 0.000 0.962 1506 D CA 1.219 55.203 54.000 -0.027 0.000 0.849 1506 D CB -0.031 40.761 40.800 -0.013 0.000 0.978 1506 D HN 0.221 nan 8.370 nan 0.000 0.488 1507 V N 1.825 121.715 119.914 -0.041 0.000 2.407 1507 V HA 0.348 4.468 4.120 0.000 0.000 0.278 1507 V C 0.123 176.175 176.094 -0.069 0.000 1.037 1507 V CA -0.453 61.819 62.300 -0.048 0.000 0.900 1507 V CB 1.617 33.415 31.823 -0.043 0.000 0.983 1507 V HN -0.069 nan 8.190 nan 0.000 0.459 1508 I N 5.832 126.357 120.570 -0.075 0.000 2.499 1508 I HA 0.445 4.615 4.170 0.000 0.000 0.288 1508 I C -0.742 175.315 176.117 -0.100 0.000 1.048 1508 I CA -0.339 60.899 61.300 -0.103 0.000 1.062 1508 I CB 1.978 39.914 38.000 -0.106 0.000 1.238 1508 I HN 0.394 nan 8.210 nan 0.000 0.426 1509 L N 5.809 126.959 121.223 -0.122 0.000 2.296 1509 L HA 0.615 4.955 4.340 0.000 0.000 0.286 1509 L C -0.268 176.530 176.870 -0.120 0.000 1.023 1509 L CA -0.483 54.297 54.840 -0.100 0.000 0.812 1509 L CB 1.447 43.455 42.059 -0.087 0.000 1.223 1509 L HN 0.577 nan 8.230 nan 0.000 0.421 1510 E N 1.709 121.860 120.200 -0.082 0.000 2.199 1510 E HA 0.773 5.123 4.350 0.000 0.000 0.269 1510 E C -0.681 175.905 176.600 -0.024 0.000 0.899 1510 E CA -0.510 55.846 56.400 -0.072 0.000 0.772 1510 E CB 2.384 32.046 29.700 -0.063 0.000 1.155 1510 E HN 0.787 nan 8.360 nan 0.000 0.408 1511 G N 2.592 111.396 108.800 0.007 0.000 2.548 1511 G HA2 0.171 4.131 3.960 0.000 0.000 0.301 1511 G HA3 0.171 4.131 3.960 0.000 0.000 0.301 1511 G C -1.278 173.669 174.900 0.079 0.000 1.349 1511 G CA -0.756 44.367 45.100 0.039 0.000 0.792 1511 G HN 0.507 nan 8.290 nan 0.000 0.481 1512 E N -0.777 119.467 120.200 0.074 0.000 2.343 1512 E HA 0.444 4.794 4.350 0.000 0.000 0.269 1512 E C -0.361 176.300 176.600 0.101 0.000 1.047 1512 E CA -0.462 55.988 56.400 0.082 0.000 0.874 1512 E CB 2.150 31.884 29.700 0.056 0.000 1.033 1512 E HN 0.184 nan 8.360 nan 0.000 0.409 1513 V N 3.963 123.934 119.914 0.095 0.000 2.461 1513 V HA -0.013 4.107 4.120 0.000 0.000 0.275 1513 V C 0.831 176.959 176.094 0.056 0.000 1.047 1513 V CA -0.090 62.258 62.300 0.079 0.000 0.955 1513 V CB 1.177 33.015 31.823 0.026 0.000 0.988 1513 V HN 0.694 nan 8.190 nan 0.000 0.471 1514 Q N 3.326 123.168 119.800 0.071 0.000 2.387 1514 Q HA 0.252 4.592 4.340 0.000 0.000 0.208 1514 Q C -0.082 175.925 176.000 0.013 0.000 0.935 1514 Q CA 0.898 56.728 55.803 0.045 0.000 0.891 1514 Q CB 1.035 29.808 28.738 0.058 0.000 1.007 1514 Q HN 0.588 nan 8.270 nan 0.000 0.548 1515 V N 1.042 120.969 119.914 0.021 0.000 2.686 1515 V HA 0.361 4.482 4.120 0.000 0.000 0.306 1515 V C -0.599 175.499 176.094 0.007 0.000 1.065 1515 V CA -0.814 61.457 62.300 -0.047 0.000 0.894 1515 V CB 2.419 34.116 31.823 -0.210 0.000 1.004 1515 V HN -0.171 nan 8.190 nan 0.000 0.424 1516 V N 3.498 123.401 119.914 -0.018 0.000 2.311 1516 V HA 0.371 4.491 4.120 0.000 0.000 0.275 1516 V C 0.122 176.202 176.094 -0.023 0.000 1.022 1516 V CA -0.415 61.881 62.300 -0.008 0.000 0.830 1516 V CB 1.208 33.007 31.823 -0.040 0.000 1.012 1516 V HN 0.896 nan 8.190 nan 0.000 0.452 1517 E N 4.266 124.467 120.200 0.002 0.000 2.081 1517 E HA 0.282 4.632 4.350 0.000 0.000 0.281 1517 E C -0.588 176.003 176.600 -0.016 0.000 0.986 1517 E CA -0.572 55.818 56.400 -0.018 0.000 0.796 1517 E CB 1.070 30.766 29.700 -0.007 0.000 1.085 1517 E HN 0.556 nan 8.360 nan 0.000 0.398 1518 Q N 3.084 122.867 119.800 -0.028 0.000 2.279 1518 Q HA 0.211 4.551 4.340 0.000 0.000 0.256 1518 Q C 0.495 176.478 176.000 -0.027 0.000 0.937 1518 Q CA 0.093 55.878 55.803 -0.030 0.000 0.933 1518 Q CB 1.309 30.028 28.738 -0.032 0.000 1.189 1518 Q HN 0.613 nan 8.270 nan 0.000 0.417 1519 L N 0.552 121.758 121.223 -0.028 0.000 3.184 1519 L HA 0.261 4.601 4.340 0.000 0.000 0.283 1519 L C 1.068 177.922 176.870 -0.028 0.000 1.218 1519 L CA 0.240 55.064 54.840 -0.027 0.000 1.028 1519 L CB 0.425 42.469 42.059 -0.025 0.000 1.400 1519 L HN 0.944 nan 8.230 nan 0.000 0.591 1520 G N 1.109 109.892 108.800 -0.029 0.000 3.400 1520 G HA2 -0.344 3.616 3.960 0.000 0.000 0.209 1520 G HA3 -0.344 3.616 3.960 0.000 0.000 0.209 1520 G C 0.822 175.704 174.900 -0.029 0.000 1.411 1520 G CA 0.487 45.572 45.100 -0.027 0.000 0.917 1520 G HN 0.337 nan 8.290 nan 0.000 0.570 1521 N N 1.917 120.598 118.700 -0.031 0.000 2.439 1521 N HA 0.076 4.816 4.740 0.000 0.000 0.176 1521 N C 0.720 176.205 175.510 -0.042 0.000 1.029 1521 N CA 1.158 54.188 53.050 -0.034 0.000 0.886 1521 N CB 0.355 38.823 38.487 -0.033 0.000 1.057 1521 N HN 0.782 nan 8.380 nan 0.000 0.437 1522 E N 0.097 120.269 120.200 -0.047 0.000 2.263 1522 E HA 0.364 4.714 4.350 0.000 0.000 0.264 1522 E C -1.283 175.280 176.600 -0.061 0.000 0.923 1522 E CA -0.723 55.640 56.400 -0.062 0.000 0.802 1522 E CB 1.795 31.455 29.700 -0.066 0.000 1.228 1522 E HN -0.177 nan 8.360 nan 0.000 0.417 1523 T N 1.691 116.195 114.554 -0.083 0.000 2.824 1523 T HA 0.271 4.621 4.350 0.000 0.000 0.282 1523 T C -0.725 173.921 174.700 -0.090 0.000 0.993 1523 T CA -0.755 61.300 62.100 -0.076 0.000 0.967 1523 T CB 1.390 70.207 68.868 -0.085 0.000 0.960 1523 T HN 0.407 nan 8.240 nan 0.000 0.441 1524 Q N 2.552 122.336 119.800 -0.026 0.000 2.368 1524 Q HA 0.419 4.759 4.340 0.000 0.000 0.263 1524 Q C -0.557 175.509 176.000 0.110 0.000 1.009 1524 Q CA -0.757 55.055 55.803 0.016 0.000 0.818 1524 Q CB 1.349 30.145 28.738 0.096 0.000 1.239 1524 Q HN 0.506 nan 8.270 nan 0.000 0.464 1525 I N 3.182 123.786 120.570 0.058 0.000 2.337 1525 I HA 0.141 4.311 4.170 0.000 0.000 0.291 1525 I C 0.257 176.463 176.117 0.148 0.000 1.046 1525 I CA -0.162 61.215 61.300 0.129 0.000 1.324 1525 I CB 0.366 38.460 38.000 0.157 0.000 1.409 1525 I HN 0.514 nan 8.210 nan 0.000 0.494 1526 H N 7.389 126.493 119.070 0.057 0.000 2.787 1526 H HA 0.413 4.969 4.556 0.000 0.000 0.275 1526 H C -0.192 175.180 175.328 0.073 0.000 1.183 1526 H CA -0.431 55.653 56.048 0.061 0.000 1.290 1526 H CB 1.074 30.855 29.762 0.032 0.000 1.438 1526 H HN 0.435 nan 8.280 nan 0.000 0.487 1527 I N 2.691 123.351 120.570 0.149 0.000 2.331 1527 I HA 0.076 4.246 4.170 0.000 0.000 0.292 1527 I C 0.496 176.671 176.117 0.096 0.000 0.998 1527 I CA -0.243 61.140 61.300 0.138 0.000 1.267 1527 I CB 1.434 39.528 38.000 0.156 0.000 1.386 1527 I HN 0.387 nan 8.210 nan 0.000 0.476 1528 Q N 6.722 126.573 119.800 0.086 0.000 2.421 1528 Q HA 0.466 4.806 4.340 0.000 0.000 0.242 1528 Q C -0.873 175.156 176.000 0.048 0.000 1.024 1528 Q CA -0.510 55.331 55.803 0.063 0.000 0.891 1528 Q CB 0.807 29.580 28.738 0.058 0.000 1.222 1528 Q HN 0.589 nan 8.270 nan 0.000 0.483 1529 I N 6.339 126.931 120.570 0.036 0.000 2.395 1529 I HA 0.256 4.426 4.170 0.000 0.000 0.289 1529 I C -1.977 174.152 176.117 0.019 0.000 1.023 1529 I CA -2.336 58.977 61.300 0.021 0.000 1.350 1529 I CB 0.980 38.986 38.000 0.010 0.000 1.409 1529 I HN 0.461 nan 8.210 nan 0.000 0.507 1530 P HA 0.042 nan 4.420 nan 0.000 0.265 1530 P C 0.110 177.416 177.300 0.010 0.000 1.193 1530 P CA 0.389 63.496 63.100 0.012 0.000 0.765 1530 P CB 0.686 32.391 31.700 0.008 0.000 0.823 1531 S N -0.054 115.653 115.700 0.011 0.000 3.171 1531 S HA -0.163 4.308 4.470 0.000 0.000 0.279 1531 S C 0.166 174.775 174.600 0.015 0.000 1.294 1531 S CA 0.604 58.811 58.200 0.011 0.000 1.077 1531 S CB -2.046 61.157 63.200 0.006 0.000 1.298 1531 S HN 0.468 nan 8.310 nan 0.000 0.666 1532 I N 0.950 121.532 120.570 0.020 0.000 2.447 1532 I HA 0.355 4.525 4.170 0.000 0.000 0.287 1532 I C 1.116 177.251 176.117 0.031 0.000 1.023 1532 I CA -0.746 60.570 61.300 0.027 0.000 1.083 1532 I CB 1.470 39.487 38.000 0.029 0.000 1.245 1532 I HN 0.012 nan 8.210 nan 0.000 0.434 1533 R N 3.401 123.920 120.500 0.032 0.000 2.070 1533 R HA -0.057 4.284 4.340 0.000 0.000 0.232 1533 R C 0.427 176.751 176.300 0.040 0.000 1.138 1533 R CA 1.248 57.367 56.100 0.032 0.000 0.936 1533 R CB 0.267 30.584 30.300 0.028 0.000 0.839 1533 R HN 0.532 nan 8.270 nan 0.000 0.429 1534 Q N 1.537 121.365 119.800 0.048 0.000 2.293 1534 Q HA 0.122 4.462 4.340 0.000 0.000 0.251 1534 Q C -0.617 175.419 176.000 0.060 0.000 0.930 1534 Q CA -0.349 55.488 55.803 0.058 0.000 0.893 1534 Q CB 0.860 29.638 28.738 0.067 0.000 1.215 1534 Q HN 0.198 nan 8.270 nan 0.000 0.425 1535 N N 1.266 120.010 118.700 0.073 0.000 2.454 1535 N HA 0.011 4.752 4.740 0.000 0.000 0.254 1535 N C -0.529 175.005 175.510 0.039 0.000 1.228 1535 N CA -0.031 53.065 53.050 0.078 0.000 0.900 1535 N CB 0.390 38.963 38.487 0.143 0.000 1.089 1535 N HN 0.355 nan 8.380 nan 0.000 0.449 1536 L N 2.843 124.081 121.223 0.025 0.000 2.265 1536 L HA 0.271 4.611 4.340 0.000 0.000 0.288 1536 L C -0.709 176.130 176.870 -0.051 0.000 1.058 1536 L CA -0.480 54.357 54.840 -0.006 0.000 0.809 1536 L CB 1.067 43.131 42.059 0.008 0.000 1.179 1536 L HN 0.204 nan 8.230 nan 0.000 0.429 1537 V N 5.484 125.325 119.914 -0.123 0.000 2.407 1537 V HA 0.249 4.369 4.120 0.000 0.000 0.278 1537 V C -0.758 175.328 176.094 -0.014 0.000 1.037 1537 V CA -0.634 61.525 62.300 -0.235 0.000 0.900 1537 V CB 0.977 32.565 31.823 -0.392 0.000 0.983 1537 V HN 0.564 nan 8.190 nan 0.000 0.459 1538 Y N 5.498 125.733 120.300 -0.109 0.000 2.341 1538 Y HA 0.616 5.166 4.550 0.000 0.000 0.338 1538 Y C -0.124 175.764 175.900 -0.020 0.000 0.965 1538 Y CA -1.423 56.663 58.100 -0.024 0.000 1.108 1538 Y CB 1.274 39.775 38.460 0.069 0.000 1.180 1538 Y HN 0.618 nan 8.280 nan 0.000 0.458 1539 R N 4.580 124.890 120.500 -0.317 0.000 2.407 1539 R HA 0.453 4.793 4.340 0.000 0.000 0.303 1539 R C -1.160 174.797 176.300 -0.571 0.000 0.981 1539 R CA -0.601 55.282 56.100 -0.362 0.000 0.905 1539 R CB 0.999 31.195 30.300 -0.174 0.000 1.099 1539 R HN 0.700 nan 8.270 nan 0.000 0.459 1540 Q N 1.161 120.711 119.800 -0.416 0.000 2.347 1540 Q HA 0.201 4.541 4.340 0.000 0.000 0.271 1540 Q C 0.361 176.266 176.000 -0.158 0.000 1.064 1540 Q CA -0.069 55.547 55.803 -0.311 0.000 0.800 1540 Q CB 2.014 30.565 28.738 -0.312 0.000 1.304 1540 Q HN 0.908 nan 8.270 nan 0.000 0.438 1541 N N 2.559 121.198 118.700 -0.101 0.000 2.207 1541 N HA -0.077 4.663 4.740 0.000 0.000 0.182 1541 N C 0.522 176.002 175.510 -0.050 0.000 1.020 1541 N CA 1.281 54.293 53.050 -0.063 0.000 0.858 1541 N CB -0.025 38.439 38.487 -0.039 0.000 0.991 1541 N HN 0.488 nan 8.380 nan 0.000 0.427 1542 D N -0.463 119.912 120.400 -0.041 0.000 2.398 1542 D HA 0.263 4.903 4.640 0.000 0.000 0.264 1542 D C 0.270 176.551 176.300 -0.033 0.000 1.263 1542 D CA -0.238 53.746 54.000 -0.026 0.000 1.037 1542 D CB 0.632 41.428 40.800 -0.007 0.000 1.101 1542 D HN 0.155 nan 8.370 nan 0.000 0.551 1543 V N 0.738 120.638 119.914 -0.022 0.000 2.530 1543 V HA 0.192 4.312 4.120 0.000 0.000 0.282 1543 V C 0.427 176.504 176.094 -0.028 0.000 1.048 1543 V CA -0.433 61.851 62.300 -0.026 0.000 0.997 1543 V CB 1.254 33.067 31.823 -0.017 0.000 0.987 1543 V HN 0.154 nan 8.190 nan 0.000 0.477 1544 V N 6.050 125.937 119.914 -0.044 0.000 2.513 1544 V HA 0.399 4.519 4.120 0.000 0.000 0.299 1544 V C 0.243 176.301 176.094 -0.060 0.000 1.035 1544 V CA -0.448 61.816 62.300 -0.059 0.000 0.889 1544 V CB 1.571 33.338 31.823 -0.092 0.000 0.988 1544 V HN 0.852 nan 8.190 nan 0.000 0.440 1545 L N 2.967 124.152 121.223 -0.064 0.000 3.122 1545 L HA 0.577 4.917 4.340 0.000 0.000 0.274 1545 L C -0.174 176.653 176.870 -0.071 0.000 1.222 1545 L CA 0.013 54.822 54.840 -0.051 0.000 1.028 1545 L CB 0.485 42.529 42.059 -0.024 0.000 1.386 1545 L HN 0.292 nan 8.230 nan 0.000 0.578 1546 V N 0.406 120.244 119.914 -0.126 0.000 2.481 1546 V HA 0.406 4.526 4.120 0.000 0.000 0.286 1546 V C 0.289 176.315 176.094 -0.114 0.000 1.042 1546 V CA -0.395 61.810 62.300 -0.158 0.000 0.928 1546 V CB 1.667 33.275 31.823 -0.358 0.000 0.986 1546 V HN 0.278 nan 8.190 nan 0.000 0.462 1547 E N 1.907 122.062 120.200 -0.074 0.000 2.248 1547 E HA 0.461 4.812 4.350 0.000 0.000 0.272 1547 E C 0.206 176.784 176.600 -0.037 0.000 1.008 1547 E CA -0.415 55.957 56.400 -0.048 0.000 0.856 1547 E CB 1.275 30.958 29.700 -0.028 0.000 1.120 1547 E HN 0.830 nan 8.360 nan 0.000 0.397 1548 E N 0.729 120.913 120.200 -0.028 0.000 2.406 1548 E HA 0.244 4.594 4.350 0.000 0.000 0.247 1548 E C 0.821 177.420 176.600 -0.002 0.000 1.160 1548 E CA 0.562 56.954 56.400 -0.014 0.000 0.950 1548 E CB -0.531 29.159 29.700 -0.016 0.000 0.993 1548 E HN 0.771 nan 8.360 nan 0.000 0.472 1549 G N 0.297 109.102 108.800 0.010 0.000 2.485 1549 G HA2 0.265 4.226 3.960 0.000 0.000 0.181 1549 G HA3 0.265 4.226 3.960 0.000 0.000 0.181 1549 G C 0.692 175.609 174.900 0.029 0.000 0.999 1549 G CA 0.066 45.177 45.100 0.018 0.000 0.721 1549 G HN 1.719 nan 8.290 nan 0.000 0.486 1550 A N 0.768 123.606 122.820 0.029 0.000 2.388 1550 A HA 0.663 4.983 4.320 0.000 0.000 0.257 1550 A C 0.738 178.379 177.584 0.095 0.000 1.095 1550 A CA 1.048 53.114 52.037 0.049 0.000 0.791 1550 A CB 0.525 19.544 19.000 0.032 0.000 1.029 1550 A HN 1.199 nan 8.150 nan 0.000 0.489 1551 T N 2.218 116.832 114.554 0.100 0.000 2.752 1551 T HA 0.432 4.782 4.350 0.000 0.000 0.295 1551 T C -0.883 173.938 174.700 0.201 0.000 0.923 1551 T CA 0.275 62.445 62.100 0.116 0.000 1.112 1551 T CB -0.856 68.052 68.868 0.067 0.000 0.884 1551 T HN 0.483 nan 8.240 nan 0.000 0.525 1552 F N 4.183 124.136 119.950 0.005 0.000 2.556 1552 F HA 0.710 5.237 4.527 0.000 0.000 0.314 1552 F C -0.690 175.097 175.800 -0.022 0.000 1.106 1552 F CA -1.061 56.940 58.000 0.002 0.000 0.911 1552 F CB 1.721 40.733 39.000 0.021 0.000 1.190 1552 F HN 0.729 nan 8.300 nan 0.000 0.448 1553 A N 6.617 129.001 122.820 -0.726 0.000 2.386 1553 A HA 0.878 5.198 4.320 0.000 0.000 0.311 1553 A C -1.246 175.870 177.584 -0.780 0.000 1.068 1553 A CA -0.630 51.074 52.037 -0.554 0.000 0.743 1553 A CB 1.115 19.930 19.000 -0.310 0.000 1.258 1553 A HN 0.851 nan 8.150 nan 0.000 0.429 1554 I N -0.787 119.468 120.570 -0.525 0.000 2.934 1554 I HA 0.889 5.060 4.170 0.000 0.000 0.306 1554 I C 0.264 176.195 176.117 -0.311 0.000 1.110 1554 I CA -1.154 59.838 61.300 -0.512 0.000 1.019 1554 I CB 2.266 39.871 38.000 -0.659 0.000 1.227 1554 I HN 0.649 nan 8.210 nan 0.000 0.434 1555 G N 2.683 111.328 108.800 -0.258 0.000 2.389 1555 G HA2 0.624 4.584 3.960 0.000 0.000 0.317 1555 G HA3 0.624 4.584 3.960 0.000 0.000 0.317 1555 G C -1.476 173.354 174.900 -0.117 0.000 1.137 1555 G CA -0.581 44.426 45.100 -0.155 0.000 0.870 1555 G HN 0.554 nan 8.290 nan 0.000 0.496 1556 L N 3.142 124.314 121.223 -0.084 0.000 2.316 1556 L HA 0.501 4.841 4.340 0.000 0.000 0.280 1556 L C -2.168 174.670 176.870 -0.053 0.000 1.006 1556 L CA -1.962 52.841 54.840 -0.061 0.000 0.836 1556 L CB 2.435 44.460 42.059 -0.057 0.000 1.221 1556 L HN 0.276 nan 8.230 nan 0.000 0.418 1557 P HA 0.379 nan 4.420 nan 0.000 0.295 1557 P C -2.466 174.777 177.300 -0.094 0.000 1.354 1557 P CA -1.876 61.182 63.100 -0.070 0.000 0.814 1557 P CB 1.203 32.859 31.700 -0.073 0.000 0.935 1558 P HA -0.216 nan 4.420 nan 0.000 0.216 1558 P C 1.460 178.685 177.300 -0.125 0.000 1.153 1558 P CA 1.585 64.643 63.100 -0.071 0.000 0.858 1558 P CB -0.066 31.618 31.700 -0.027 0.000 0.789 1559 E N 0.132 120.215 120.200 -0.195 0.000 2.338 1559 E HA -0.165 4.185 4.350 0.000 0.000 0.197 1559 E C 1.353 177.740 176.600 -0.356 0.000 1.007 1559 E CA 1.093 57.294 56.400 -0.331 0.000 0.849 1559 E CB -0.450 28.874 29.700 -0.626 0.000 0.774 1559 E HN 0.304 nan 8.360 nan 0.000 0.506 1560 R N -0.220 120.098 120.500 -0.303 0.000 2.472 1560 R HA 0.262 4.602 4.340 0.000 0.000 0.279 1560 R C -0.172 175.942 176.300 -0.310 0.000 0.953 1560 R CA -0.237 55.652 56.100 -0.351 0.000 1.088 1560 R CB 0.478 30.535 30.300 -0.404 0.000 1.197 1560 R HN 0.042 nan 8.270 nan 0.000 0.536 1561 C N 1.410 120.568 119.300 -0.237 0.000 2.527 1561 C HA 0.263 4.723 4.460 0.000 0.000 0.396 1561 C C 0.478 175.304 174.990 -0.274 0.000 1.289 1561 C CA -0.460 58.458 59.018 -0.165 0.000 2.047 1561 C CB -0.258 27.431 27.740 -0.084 0.000 2.568 1561 C HN 0.408 nan 8.230 nan 0.000 0.573 1562 H N 1.267 120.295 119.070 -0.071 0.000 2.483 1562 H HA 0.703 5.259 4.556 0.000 0.000 0.338 1562 H C -0.461 174.698 175.328 -0.283 0.000 1.152 1562 H CA -0.490 55.442 56.048 -0.194 0.000 1.264 1562 H CB 0.857 30.510 29.762 -0.181 0.000 1.510 1562 H HN 0.459 nan 8.280 nan 0.000 0.530 1563 L N 2.632 123.631 121.223 -0.374 0.000 2.409 1563 L HA 0.459 4.800 4.340 0.000 0.000 0.272 1563 L C -1.853 174.721 176.870 -0.493 0.000 0.980 1563 L CA -0.353 54.316 54.840 -0.283 0.000 0.826 1563 L CB 0.674 42.670 42.059 -0.104 0.000 1.268 1563 L HN 0.505 nan 8.230 nan 0.000 0.407 1564 F N 3.451 123.485 119.950 0.140 0.000 2.507 1564 F HA 0.621 5.149 4.527 0.000 0.000 0.325 1564 F C 0.578 176.422 175.800 0.073 0.000 1.116 1564 F CA -0.792 57.276 58.000 0.112 0.000 0.930 1564 F CB 1.589 40.661 39.000 0.120 0.000 1.146 1564 F HN 0.324 nan 8.300 nan 0.000 0.447 1565 R N 0.678 121.311 120.500 0.221 0.000 2.801 1565 R HA 0.279 4.619 4.340 0.000 0.000 0.273 1565 R C 1.505 177.877 176.300 0.120 0.000 1.080 1565 R CA 0.494 56.675 56.100 0.135 0.000 1.197 1565 R CB 0.227 30.588 30.300 0.101 0.000 1.109 1565 R HN 0.911 nan 8.270 nan 0.000 0.535 1566 E N 1.488 121.732 120.200 0.074 0.000 2.160 1566 E HA -0.235 4.115 4.350 0.000 0.000 0.195 1566 E C 1.250 177.869 176.600 0.031 0.000 0.991 1566 E CA 1.973 58.400 56.400 0.045 0.000 0.810 1566 E CB -0.832 28.887 29.700 0.031 0.000 0.742 1566 E HN 0.819 nan 8.360 nan 0.000 0.466 1567 D N -2.343 118.081 120.400 0.041 0.000 2.348 1567 D HA 0.224 4.864 4.640 0.000 0.000 0.216 1567 D C 1.593 177.908 176.300 0.025 0.000 0.970 1567 D CA 1.355 55.371 54.000 0.027 0.000 0.889 1567 D CB 0.029 40.848 40.800 0.032 0.000 0.912 1567 D HN 0.927 nan 8.370 nan 0.000 0.524 1568 G N -0.320 108.513 108.800 0.056 0.000 2.238 1568 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 1568 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 1568 G C 0.498 175.503 174.900 0.174 0.000 0.996 1568 G CA 0.198 45.321 45.100 0.039 0.000 0.632 1568 G HN 0.768 nan 8.290 nan 0.000 0.503 1569 T N 0.121 114.785 114.554 0.183 0.000 2.930 1569 T HA 0.656 5.006 4.350 0.000 0.000 0.306 1569 T C 0.636 175.528 174.700 0.319 0.000 1.045 1569 T CA 0.657 62.891 62.100 0.222 0.000 1.134 1569 T CB 1.891 70.841 68.868 0.136 0.000 0.961 1569 T HN 1.723 nan 8.240 nan 0.000 0.545 1570 A N 1.890 124.904 122.820 0.323 0.000 2.302 1570 A HA 0.523 4.843 4.320 0.000 0.000 0.285 1570 A C 0.499 178.111 177.584 0.046 0.000 1.105 1570 A CA -0.935 51.188 52.037 0.144 0.000 0.816 1570 A CB 0.170 19.257 19.000 0.146 0.000 1.067 1570 A HN 1.064 nan 8.150 nan 0.000 0.489 1571 C N 1.846 121.114 119.300 -0.052 0.000 2.373 1571 C HA 0.618 5.078 4.460 0.000 0.000 0.354 1571 C C 1.403 176.393 174.990 0.000 0.000 1.249 1571 C CA -0.252 58.758 59.018 -0.012 0.000 1.784 1571 C CB -1.053 26.672 27.740 -0.024 0.000 2.408 1571 C HN 1.063 nan 8.230 nan 0.000 0.542 1572 R N 3.434 123.952 120.500 0.030 0.000 2.485 1572 R HA 0.026 4.366 4.340 0.000 0.000 0.304 1572 R C 0.447 176.764 176.300 0.029 0.000 0.934 1572 R CA 0.596 56.718 56.100 0.037 0.000 1.102 1572 R CB -0.292 30.013 30.300 0.009 0.000 0.906 1572 R HN 0.841 nan 8.270 nan 0.000 0.407 1573 R N 2.242 122.788 120.500 0.076 0.000 2.590 1573 R HA 0.143 4.484 4.340 0.000 0.000 0.274 1573 R C 0.484 176.805 176.300 0.034 0.000 1.061 1573 R CA -0.038 56.113 56.100 0.085 0.000 1.081 1573 R CB 0.526 30.959 30.300 0.222 0.000 0.984 1573 R HN 0.724 nan 8.270 nan 0.000 0.448 1574 L N 1.650 122.901 121.223 0.047 0.000 2.808 1574 L HA 0.155 4.496 4.340 0.000 0.000 0.246 1574 L C 0.247 177.149 176.870 0.053 0.000 1.153 1574 L CA -0.125 54.724 54.840 0.016 0.000 0.956 1574 L CB -0.000 42.063 42.059 0.008 0.000 1.270 1574 L HN 0.542 nan 8.230 nan 0.000 0.528 1575 H N 1.319 120.400 119.070 0.018 0.000 2.552 1575 H HA 0.261 4.817 4.556 0.000 0.000 0.311 1575 H C -0.140 175.242 175.328 0.092 0.000 1.071 1575 H CA -0.350 55.714 56.048 0.026 0.000 1.307 1575 H CB 0.695 30.455 29.762 -0.003 0.000 1.416 1575 H HN -0.104 nan 8.280 nan 0.000 0.464 1576 K N 4.243 124.451 120.400 -0.319 0.000 2.379 1576 K HA 0.058 4.378 4.320 0.000 0.000 0.284 1576 K C -0.137 176.331 176.600 -0.221 0.000 1.044 1576 K CA -0.281 55.911 56.287 -0.157 0.000 0.974 1576 K CB 0.535 32.939 32.500 -0.160 0.000 0.962 1576 K HN 0.646 nan 8.250 nan 0.000 0.474 1577 E N 3.737 123.924 120.200 -0.021 0.000 2.283 1577 E HA 0.214 4.564 4.350 0.000 0.000 0.271 1577 E C -2.149 174.399 176.600 -0.088 0.000 1.031 1577 E CA -2.002 54.301 56.400 -0.162 0.000 0.868 1577 E CB 0.706 30.017 29.700 -0.648 0.000 1.094 1577 E HN 0.456 nan 8.360 nan 0.000 0.401 1578 P HA 0.068 nan 4.420 nan 0.000 0.263 1578 P C 0.413 177.738 177.300 0.042 0.000 1.195 1578 P CA 0.398 63.500 63.100 0.004 0.000 0.762 1578 P CB 0.166 31.880 31.700 0.024 0.000 0.799 1579 G N 0.000 108.835 108.800 0.058 0.000 5.446 1579 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1579 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1579 G CA 0.000 45.155 45.100 0.091 0.000 0.502 1579 G HN 0.000 nan 8.290 nan 0.000 0.925