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 3ig3_1_A DATA FIRST_RESID 1246 DATA SEQUENCE STQDADRTLK RLQLQMDNLE SRVALECKEA FAELQTDINE LTNHXXXVQI DATA SEQUENCE PFLDYRTYAV RVLFPGIEAH PVLKELDTPP NVEKALRLFG QLLHSRAFLL DATA SEQUENCE TFIHTLEAQS SFSMRDRGTV ASLTMVALQS RLDYATGLLK QLLADLIEKN DATA SEQUENCE LESKNHPKLL LRRTESVAEK MLTNWFTFLL HKFLKECAGE PLFLLYCAIK DATA SEQUENCE QQMEKGPIDA ITGEARYSLS EDKLIRQQID YKTLTLHCVC PESEXXAQVP DATA SEQUENCE VKVLNCDSIT QAKDKLLDTV YKGIPYSQRP KAEDMDLEWR QGRMARIILQ DATA SEQUENCE DEDITTKIEC DWKRVNSLAH YQVTDGSLVA LVPKXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX GTKLWHLVRN HXXXXXXXXX DATA SEQUENCE XXXXXVSEIY LTRLLATKGT LQKFVDDLFE TVFSTAHRGS ALPLAIKYMF DATA SEQUENCE DFLDEQADQR QISDPDVRHT WKSNCLPLRF WVNVIKNPQF VFDIHKNSIT DATA SEQUENCE DACLSVVAQT FMDSCSTSEH RLGKDSPSNK LLYAKDIPNY KSWVERYYRD DATA SEQUENCE IAKMASISDQ DMDAYLVEQS RLHANDFNVL SALSELYFYV TKYRQEILTS DATA SEQUENCE LDRDASCRKH KLRQKLEQII TLVSSS 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 1246 S HA 0.000 nan 4.470 nan 0.000 0.327 1246 S C 0.000 174.598 174.600 -0.003 0.000 1.055 1246 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 1246 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 1247 T N -1.166 113.386 114.554 -0.003 0.000 2.881 1247 T HA 0.476 4.825 4.350 -0.003 0.000 0.278 1247 T C 1.027 175.726 174.700 -0.003 0.000 0.982 1247 T CA -0.397 61.702 62.100 -0.003 0.000 0.989 1247 T CB 0.782 69.649 68.868 -0.002 0.000 1.058 1247 T HN 0.673 nan 8.240 nan 0.000 0.529 1248 Q N -0.125 119.674 119.800 -0.003 0.000 2.119 1248 Q HA -0.104 4.234 4.340 -0.003 0.000 0.201 1248 Q C 1.800 177.799 176.000 -0.002 0.000 0.972 1248 Q CA 1.764 57.565 55.803 -0.003 0.000 0.847 1248 Q CB -0.260 28.477 28.738 -0.003 0.000 0.903 1248 Q HN 0.908 nan 8.270 nan 0.000 0.433 1249 D N 0.489 120.888 120.400 -0.002 0.000 2.084 1249 D HA -0.172 4.466 4.640 -0.003 0.000 0.194 1249 D C 1.817 178.116 176.300 -0.002 0.000 0.990 1249 D CA 1.642 55.641 54.000 -0.002 0.000 0.826 1249 D CB -0.094 40.705 40.800 -0.001 0.000 0.971 1249 D HN 0.204 nan 8.370 nan 0.000 0.453 1250 A N 0.423 123.242 122.820 -0.002 0.000 1.892 1250 A HA -0.227 4.091 4.320 -0.003 0.000 0.218 1250 A C 2.023 179.606 177.584 -0.002 0.000 1.188 1250 A CA 2.207 54.242 52.037 -0.002 0.000 0.631 1250 A CB -0.900 18.099 19.000 -0.002 0.000 0.822 1250 A HN 0.280 nan 8.150 nan 0.000 0.447 1251 D N -1.054 119.345 120.400 -0.002 0.000 2.144 1251 D HA -0.143 4.495 4.640 -0.003 0.000 0.199 1251 D C 2.067 178.366 176.300 -0.002 0.000 0.984 1251 D CA 1.307 55.306 54.000 -0.002 0.000 0.834 1251 D CB -0.342 40.456 40.800 -0.003 0.000 0.955 1251 D HN 0.534 nan 8.370 nan 0.000 0.465 1252 R N 0.249 120.748 120.500 -0.002 0.000 2.073 1252 R HA -0.128 4.210 4.340 -0.003 0.000 0.234 1252 R C 2.195 178.494 176.300 -0.002 0.000 1.134 1252 R CA 2.008 58.107 56.100 -0.002 0.000 0.952 1252 R CB -0.278 30.021 30.300 -0.002 0.000 0.850 1252 R HN 0.306 nan 8.270 nan 0.000 0.433 1253 T N -0.850 113.703 114.554 -0.001 0.000 2.951 1253 T HA -0.086 4.262 4.350 -0.003 0.000 0.268 1253 T C 1.990 176.691 174.700 0.001 0.000 1.073 1253 T CA 0.794 62.894 62.100 -0.000 0.000 1.134 1253 T CB -0.275 68.593 68.868 0.000 0.000 0.884 1253 T HN 0.217 nan 8.240 nan 0.000 0.479 1254 L N 0.723 121.946 121.223 0.001 0.000 1.994 1254 L HA -0.074 4.264 4.340 -0.003 0.000 0.208 1254 L C 2.987 179.858 176.870 0.001 0.000 1.071 1254 L CA 1.883 56.724 54.840 0.002 0.000 0.745 1254 L CB -0.483 41.578 42.059 0.002 0.000 0.892 1254 L HN 0.271 nan 8.230 nan 0.000 0.431 1255 K N 0.684 121.084 120.400 -0.001 0.000 2.103 1255 K HA -0.236 4.082 4.320 -0.003 0.000 0.207 1255 K C 2.045 178.643 176.600 -0.003 0.000 1.048 1255 K CA 1.542 57.828 56.287 -0.003 0.000 0.930 1255 K CB -0.155 32.343 32.500 -0.004 0.000 0.716 1255 K HN 0.331 nan 8.250 nan 0.000 0.444 1256 R N 0.777 121.276 120.500 -0.002 0.000 2.066 1256 R HA -0.071 4.267 4.340 -0.003 0.000 0.232 1256 R C 2.564 178.863 176.300 -0.002 0.000 1.131 1256 R CA 1.488 57.587 56.100 -0.002 0.000 0.955 1256 R CB -0.534 29.765 30.300 -0.002 0.000 0.851 1256 R HN 0.308 nan 8.270 nan 0.000 0.432 1257 L N 0.811 122.034 121.223 0.001 0.000 2.079 1257 L HA -0.238 4.100 4.340 -0.003 0.000 0.210 1257 L C 1.966 178.837 176.870 0.001 0.000 1.081 1257 L CA 1.650 56.491 54.840 0.003 0.000 0.752 1257 L CB -0.176 41.886 42.059 0.006 0.000 0.896 1257 L HN 0.214 nan 8.230 nan 0.000 0.433 1258 Q N -0.089 119.711 119.800 -0.000 0.000 2.083 1258 Q HA -0.156 4.182 4.340 -0.003 0.000 0.198 1258 Q C 2.204 178.199 176.000 -0.009 0.000 0.969 1258 Q CA 1.911 57.711 55.803 -0.004 0.000 0.838 1258 Q CB -0.214 28.521 28.738 -0.004 0.000 0.900 1258 Q HN 0.702 nan 8.270 nan 0.000 0.436 1259 L N -0.905 120.313 121.223 -0.008 0.000 2.179 1259 L HA -0.042 4.296 4.340 -0.003 0.000 0.208 1259 L C 2.271 179.135 176.870 -0.010 0.000 1.096 1259 L CA 1.461 56.295 54.840 -0.010 0.000 0.779 1259 L CB -1.053 41.001 42.059 -0.009 0.000 0.922 1259 L HN 0.018 nan 8.230 nan 0.000 0.443 1260 Q N 0.308 120.104 119.800 -0.007 0.000 2.135 1260 Q HA -0.233 4.105 4.340 -0.003 0.000 0.204 1260 Q C 2.068 178.063 176.000 -0.008 0.000 0.981 1260 Q CA 2.227 58.026 55.803 -0.007 0.000 0.856 1260 Q CB -0.427 28.309 28.738 -0.003 0.000 0.902 1260 Q HN 0.483 nan 8.270 nan 0.000 0.425 1261 M N 0.566 120.160 119.600 -0.009 0.000 2.099 1261 M HA -0.080 4.398 4.480 -0.003 0.000 0.262 1261 M C 1.162 177.450 176.300 -0.021 0.000 1.067 1261 M CA 1.689 56.981 55.300 -0.013 0.000 1.124 1261 M CB -0.441 32.151 32.600 -0.013 0.000 1.353 1261 M HN 0.233 nan 8.290 nan 0.000 0.410 1262 D N -0.405 119.983 120.400 -0.021 0.000 2.158 1262 D HA -0.176 4.462 4.640 -0.003 0.000 0.197 1262 D C 1.729 178.016 176.300 -0.021 0.000 0.995 1262 D CA 1.192 55.178 54.000 -0.024 0.000 0.846 1262 D CB -0.413 40.374 40.800 -0.021 0.000 0.941 1262 D HN 0.415 nan 8.370 nan 0.000 0.456 1263 N N -0.158 118.532 118.700 -0.017 0.000 2.080 1263 N HA -0.058 4.680 4.740 -0.003 0.000 0.189 1263 N C 1.862 177.362 175.510 -0.016 0.000 1.036 1263 N CA 0.759 53.800 53.050 -0.015 0.000 0.846 1263 N CB -0.144 38.336 38.487 -0.013 0.000 1.015 1263 N HN 0.087 nan 8.380 nan 0.000 0.423 1264 L N 0.274 121.487 121.223 -0.015 0.000 2.131 1264 L HA -0.089 4.249 4.340 -0.003 0.000 0.210 1264 L C 2.001 178.860 176.870 -0.017 0.000 1.092 1264 L CA 1.044 55.875 54.840 -0.015 0.000 0.759 1264 L CB -0.424 41.628 42.059 -0.012 0.000 0.903 1264 L HN 0.278 nan 8.230 nan 0.000 0.435 1265 E N -0.166 120.020 120.200 -0.024 0.000 2.106 1265 E HA -0.155 4.193 4.350 -0.003 0.000 0.192 1265 E C 2.342 178.928 176.600 -0.024 0.000 0.984 1265 E CA 1.288 57.669 56.400 -0.031 0.000 0.806 1265 E CB 0.028 29.703 29.700 -0.042 0.000 0.750 1265 E HN 0.359 nan 8.360 nan 0.000 0.458 1266 S N 0.456 116.144 115.700 -0.021 0.000 2.383 1266 S HA -0.086 4.382 4.470 -0.003 0.000 0.227 1266 S C 1.759 176.352 174.600 -0.012 0.000 1.026 1266 S CA 0.678 58.868 58.200 -0.017 0.000 0.981 1266 S CB -0.075 63.115 63.200 -0.016 0.000 0.818 1266 S HN 0.197 nan 8.310 nan 0.000 0.472 1267 R N 0.670 121.164 120.500 -0.011 0.000 2.127 1267 R HA -0.093 4.245 4.340 -0.003 0.000 0.238 1267 R C 1.999 178.298 176.300 -0.002 0.000 1.134 1267 R CA 1.666 57.762 56.100 -0.007 0.000 0.975 1267 R CB -0.286 30.008 30.300 -0.009 0.000 0.865 1267 R HN 0.513 nan 8.270 nan 0.000 0.447 1268 V N -4.791 115.122 119.914 -0.002 0.000 3.556 1268 V HA 0.387 4.505 4.120 -0.003 0.000 0.287 1268 V C 1.785 177.880 176.094 0.002 0.000 1.422 1268 V CA 0.543 62.847 62.300 0.006 0.000 1.038 1268 V CB 0.522 32.352 31.823 0.012 0.000 0.850 1268 V HN 0.128 nan 8.190 nan 0.000 0.437 1269 A N 1.951 124.767 122.820 -0.007 0.000 1.869 1269 A HA -0.149 4.170 4.320 -0.003 0.000 0.218 1269 A C 2.145 179.727 177.584 -0.003 0.000 1.203 1269 A CA 2.659 54.689 52.037 -0.012 0.000 0.638 1269 A CB -0.761 18.228 19.000 -0.019 0.000 0.831 1269 A HN 0.568 nan 8.150 nan 0.000 0.450 1270 L N -1.002 120.221 121.223 0.001 0.000 2.093 1270 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 1270 L C 2.703 179.584 176.870 0.017 0.000 1.085 1270 L CA 1.614 56.459 54.840 0.008 0.000 0.755 1270 L CB -0.640 41.422 42.059 0.005 0.000 0.904 1270 L HN 0.667 nan 8.230 nan 0.000 0.435 1271 E N 0.159 120.369 120.200 0.018 0.000 2.085 1271 E HA -0.266 4.082 4.350 -0.003 0.000 0.194 1271 E C 2.298 178.919 176.600 0.035 0.000 0.994 1271 E CA 1.905 58.321 56.400 0.025 0.000 0.801 1271 E CB -0.039 29.677 29.700 0.027 0.000 0.743 1271 E HN 0.544 nan 8.360 nan 0.000 0.453 1272 C N 0.962 120.282 119.300 0.032 0.000 2.425 1272 C HA -0.056 4.402 4.460 -0.003 0.000 0.277 1272 C C 2.550 177.587 174.990 0.078 0.000 1.280 1272 C CA 0.849 59.893 59.018 0.045 0.000 1.744 1272 C CB -0.715 27.036 27.740 0.019 0.000 1.989 1272 C HN 0.443 nan 8.230 nan 0.000 0.491 1273 K N 0.583 121.018 120.400 0.058 0.000 2.057 1273 K HA -0.167 4.152 4.320 -0.003 0.000 0.207 1273 K C 1.917 178.597 176.600 0.132 0.000 1.049 1273 K CA 1.405 57.745 56.287 0.088 0.000 0.931 1273 K CB -0.218 32.310 32.500 0.046 0.000 0.714 1273 K HN 0.607 nan 8.250 nan 0.000 0.440 1274 E N 0.194 120.441 120.200 0.079 0.000 2.158 1274 E HA -0.090 4.258 4.350 -0.003 0.000 0.191 1274 E C 2.000 178.630 176.600 0.050 0.000 0.982 1274 E CA 0.617 57.051 56.400 0.056 0.000 0.823 1274 E CB 0.038 29.756 29.700 0.030 0.000 0.766 1274 E HN 0.295 nan 8.360 nan 0.000 0.468 1275 A N 1.099 123.955 122.820 0.060 0.000 1.902 1275 A HA -0.197 4.121 4.320 -0.003 0.000 0.217 1275 A C 1.949 179.580 177.584 0.079 0.000 1.181 1275 A CA 1.089 53.150 52.037 0.040 0.000 0.623 1275 A CB -0.682 18.333 19.000 0.026 0.000 0.818 1275 A HN 0.362 nan 8.150 nan 0.000 0.443 1276 F N 1.161 121.116 119.950 0.008 0.000 2.102 1276 F HA -0.049 4.476 4.527 -0.003 0.000 0.298 1276 F C 2.474 178.291 175.800 0.029 0.000 1.105 1276 F CA 1.258 59.280 58.000 0.037 0.000 1.239 1276 F CB -0.621 38.376 39.000 -0.005 0.000 0.991 1276 F HN 0.237 nan 8.300 nan 0.000 0.474 1277 A N -0.124 122.608 122.820 -0.147 0.000 1.940 1277 A HA -0.250 4.068 4.320 -0.003 0.000 0.219 1277 A C 2.083 179.537 177.584 -0.217 0.000 1.176 1277 A CA 2.005 53.895 52.037 -0.246 0.000 0.631 1277 A CB -1.011 17.962 19.000 -0.044 0.000 0.814 1277 A HN 0.528 nan 8.150 nan 0.000 0.446 1278 E N -0.393 119.733 120.200 -0.124 0.000 2.077 1278 E HA -0.092 4.256 4.350 -0.003 0.000 0.193 1278 E C 1.925 178.454 176.600 -0.119 0.000 0.989 1278 E CA 0.881 57.224 56.400 -0.096 0.000 0.800 1278 E CB -0.217 29.447 29.700 -0.060 0.000 0.746 1278 E HN 0.578 nan 8.360 nan 0.000 0.452 1279 L N 0.283 121.427 121.223 -0.131 0.000 2.093 1279 L HA -0.219 4.119 4.340 -0.003 0.000 0.208 1279 L C 2.539 179.344 176.870 -0.110 0.000 1.085 1279 L CA 1.490 56.269 54.840 -0.102 0.000 0.755 1279 L CB -0.212 41.846 42.059 -0.001 0.000 0.904 1279 L HN 0.288 nan 8.230 nan 0.000 0.435 1280 Q N -0.749 118.898 119.800 -0.255 0.000 2.119 1280 Q HA -0.207 4.131 4.340 -0.003 0.000 0.201 1280 Q C 2.034 177.956 176.000 -0.130 0.000 0.972 1280 Q CA 2.273 57.937 55.803 -0.231 0.000 0.847 1280 Q CB 0.072 28.450 28.738 -0.600 0.000 0.903 1280 Q HN 0.593 nan 8.270 nan 0.000 0.433 1281 T N -2.374 112.100 114.554 -0.134 0.000 2.942 1281 T HA -0.082 4.266 4.350 -0.003 0.000 0.265 1281 T C 1.137 175.800 174.700 -0.062 0.000 1.062 1281 T CA 1.187 63.239 62.100 -0.080 0.000 1.139 1281 T CB -0.261 68.564 68.868 -0.071 0.000 0.883 1281 T HN 0.180 nan 8.240 nan 0.000 0.468 1282 D N 0.960 121.315 120.400 -0.074 0.000 2.144 1282 D HA 0.020 4.658 4.640 -0.003 0.000 0.199 1282 D C 1.790 178.049 176.300 -0.067 0.000 0.984 1282 D CA 0.582 54.541 54.000 -0.070 0.000 0.834 1282 D CB -0.310 40.438 40.800 -0.088 0.000 0.955 1282 D HN 0.343 nan 8.370 nan 0.000 0.465 1283 I N 0.619 121.149 120.570 -0.067 0.000 2.333 1283 I HA -0.106 4.062 4.170 -0.003 0.000 0.246 1283 I C 1.384 177.493 176.117 -0.014 0.000 1.106 1283 I CA 1.023 62.288 61.300 -0.058 0.000 1.411 1283 I CB -0.267 37.712 38.000 -0.034 0.000 1.082 1283 I HN -0.002 nan 8.210 nan 0.000 0.420 1284 N N -0.376 118.320 118.700 -0.006 0.000 2.550 1284 N HA -0.168 4.570 4.740 -0.003 0.000 0.186 1284 N C 1.632 177.146 175.510 0.007 0.000 1.110 1284 N CA 0.459 53.515 53.050 0.009 0.000 0.912 1284 N CB 0.122 38.609 38.487 0.002 0.000 0.968 1284 N HN 0.481 nan 8.380 nan 0.000 0.448 1285 E N 1.187 121.384 120.200 -0.005 0.000 2.045 1285 E HA -0.014 4.334 4.350 -0.003 0.000 0.190 1285 E C 2.167 178.772 176.600 0.009 0.000 0.968 1285 E CA 0.461 56.860 56.400 -0.001 0.000 0.813 1285 E CB -0.200 29.493 29.700 -0.012 0.000 0.780 1285 E HN 0.195 nan 8.360 nan 0.000 0.455 1286 L N 0.933 122.157 121.223 0.002 0.000 2.549 1286 L HA 0.050 4.388 4.340 -0.003 0.000 0.229 1286 L C 2.288 179.188 176.870 0.050 0.000 1.158 1286 L CA 2.292 57.142 54.840 0.017 0.000 0.842 1286 L CB -1.425 40.631 42.059 -0.005 0.000 0.952 1286 L HN 0.596 nan 8.230 nan 0.000 0.452 1287 T N -7.760 106.827 114.554 0.055 0.000 3.100 1287 T HA 0.048 4.396 4.350 -0.003 0.000 0.255 1287 T C 1.215 175.958 174.700 0.072 0.000 0.893 1287 T CA 0.614 62.770 62.100 0.093 0.000 0.882 1287 T CB -0.542 68.423 68.868 0.161 0.000 1.266 1287 T HN 0.299 nan 8.240 nan 0.000 0.528 1288 N N 1.645 120.377 118.700 0.053 0.000 2.383 1288 N HA 0.373 5.111 4.740 -0.003 0.000 0.192 1288 N C 0.431 175.962 175.510 0.036 0.000 1.141 1288 N CA 1.219 54.297 53.050 0.046 0.000 0.851 1288 N CB 0.087 38.598 38.487 0.039 0.000 0.976 1288 N HN 0.996 nan 8.380 nan 0.000 0.465 1294 Q N 3.185 122.990 119.800 0.009 0.000 2.279 1294 Q HA 0.577 4.915 4.340 -0.003 0.000 0.256 1294 Q C -0.205 175.722 176.000 -0.121 0.000 0.937 1294 Q CA -0.578 55.217 55.803 -0.014 0.000 0.933 1294 Q CB 1.117 29.869 28.738 0.022 0.000 1.189 1294 Q HN 0.703 nan 8.270 nan 0.000 0.417 1295 I N 6.937 127.368 120.570 -0.231 0.000 3.015 1295 I HA -0.122 4.046 4.170 -0.003 0.000 0.309 1295 I C -1.771 174.048 176.117 -0.497 0.000 1.229 1295 I CA -0.803 60.096 61.300 -0.669 0.000 1.430 1295 I CB 0.175 37.752 38.000 -0.705 0.000 1.347 1295 I HN 0.504 nan 8.210 nan 0.000 0.544 1296 P HA 0.160 nan 4.420 nan 0.000 0.220 1296 P C -0.515 176.784 177.300 -0.001 0.000 1.806 1296 P CA -0.282 62.711 63.100 -0.179 0.000 0.976 1296 P CB -0.412 31.221 31.700 -0.111 0.000 1.952 1297 F N 0.834 120.857 119.950 0.122 0.000 2.608 1297 F HA -0.004 4.522 4.527 -0.003 0.000 0.380 1297 F C 1.483 177.363 175.800 0.133 0.000 1.083 1297 F CA 0.209 58.312 58.000 0.173 0.000 1.266 1297 F CB -0.024 39.034 39.000 0.098 0.000 1.076 1297 F HN 0.023 nan 8.300 nan 0.000 0.574 1298 L N 3.226 124.636 121.223 0.312 0.000 2.467 1298 L HA 0.074 4.412 4.340 -0.003 0.000 0.270 1298 L C 0.320 177.345 176.870 0.257 0.000 1.205 1298 L CA -0.710 54.276 54.840 0.242 0.000 0.828 1298 L CB 0.188 42.376 42.059 0.214 0.000 1.101 1298 L HN 0.594 nan 8.230 nan 0.000 0.479 1299 D N -0.151 120.362 120.400 0.188 0.000 2.360 1299 D HA -0.100 4.539 4.640 -0.003 0.000 0.242 1299 D C 0.763 177.134 176.300 0.117 0.000 1.184 1299 D CA -0.168 53.934 54.000 0.171 0.000 0.930 1299 D CB 0.394 41.269 40.800 0.125 0.000 1.161 1299 D HN 0.506 nan 8.370 nan 0.000 0.447 1300 Y N 0.953 121.200 120.300 -0.088 0.000 2.114 1300 Y HA -0.312 4.236 4.550 -0.002 0.000 0.282 1300 Y C 2.486 178.323 175.900 -0.106 0.000 1.165 1300 Y CA 2.888 60.782 58.100 -0.342 0.000 1.148 1300 Y CB -0.059 38.201 38.460 -0.333 0.000 0.972 1300 Y HN 0.535 nan 8.280 nan 0.000 0.504 1301 R N -1.240 119.256 120.500 -0.006 0.000 2.115 1301 R HA -0.095 4.243 4.340 -0.003 0.000 0.230 1301 R C 1.793 178.131 176.300 0.063 0.000 1.111 1301 R CA 1.822 57.890 56.100 -0.054 0.000 0.976 1301 R CB -1.160 29.033 30.300 -0.179 0.000 0.870 1301 R HN 0.232 nan 8.270 nan 0.000 0.445 1302 T N 0.872 115.459 114.554 0.055 0.000 2.770 1302 T HA -0.171 4.177 4.350 -0.003 0.000 0.263 1302 T C 1.460 176.190 174.700 0.050 0.000 1.039 1302 T CA 1.392 63.538 62.100 0.076 0.000 1.142 1302 T CB -0.460 68.467 68.868 0.098 0.000 0.868 1302 T HN 0.446 nan 8.240 nan 0.000 0.435 1303 Y N 2.579 122.823 120.300 -0.094 0.000 2.128 1303 Y HA -0.111 4.437 4.550 -0.003 0.000 0.284 1303 Y C 2.510 178.299 175.900 -0.184 0.000 1.154 1303 Y CA 1.094 59.120 58.100 -0.122 0.000 1.149 1303 Y CB -0.833 37.535 38.460 -0.153 0.000 0.976 1303 Y HN 0.157 nan 8.280 nan 0.000 0.505 1304 A N 0.070 122.605 122.820 -0.475 0.000 1.883 1304 A HA -0.181 4.138 4.320 -0.003 0.000 0.217 1304 A C 2.344 179.726 177.584 -0.336 0.000 1.186 1304 A CA 2.377 54.112 52.037 -0.504 0.000 0.624 1304 A CB -1.395 17.482 19.000 -0.204 0.000 0.822 1304 A HN 0.404 nan 8.150 nan 0.000 0.444 1305 V N -0.088 119.747 119.914 -0.132 0.000 2.453 1305 V HA -0.204 3.914 4.120 -0.003 0.000 0.247 1305 V C 2.601 178.600 176.094 -0.159 0.000 1.048 1305 V CA 1.900 64.177 62.300 -0.037 0.000 1.049 1305 V CB -0.788 31.082 31.823 0.078 0.000 0.672 1305 V HN 0.499 nan 8.190 nan 0.000 0.457 1306 R N -0.396 119.948 120.500 -0.260 0.000 2.081 1306 R HA -0.123 4.215 4.340 -0.003 0.000 0.235 1306 R C 2.197 177.919 176.300 -0.962 0.000 1.131 1306 R CA 1.505 57.326 56.100 -0.465 0.000 0.960 1306 R CB -0.482 29.645 30.300 -0.290 0.000 0.856 1306 R HN 0.424 nan 8.270 nan 0.000 0.436 1307 V N 1.419 120.837 119.914 -0.827 0.000 2.302 1307 V HA -0.164 3.954 4.120 -0.003 0.000 0.243 1307 V C 2.362 178.095 176.094 -0.602 0.000 1.036 1307 V CA 1.409 63.238 62.300 -0.785 0.000 1.020 1307 V CB -0.400 31.066 31.823 -0.596 0.000 0.657 1307 V HN 0.254 nan 8.190 nan 0.000 0.453 1308 L N -1.271 119.593 121.223 -0.598 0.000 2.093 1308 L HA -0.043 4.295 4.340 -0.003 0.000 0.208 1308 L C 0.729 177.015 176.870 -0.973 0.000 1.085 1308 L CA 1.620 55.981 54.840 -0.799 0.000 0.755 1308 L CB -0.334 41.136 42.059 -0.980 0.000 0.904 1308 L HN 0.321 nan 8.230 nan 0.000 0.435 1309 F N -0.160 119.588 119.950 -0.337 0.000 2.531 1309 F HA 0.373 4.898 4.527 -0.004 0.000 0.333 1309 F C -2.287 173.386 175.800 -0.210 0.000 1.292 1309 F CA -2.595 55.261 58.000 -0.240 0.000 1.184 1309 F CB 0.078 38.913 39.000 -0.275 0.000 1.426 1309 F HN -0.243 nan 8.300 nan 0.000 0.559 1310 P HA 0.156 nan 4.420 nan 0.000 0.262 1310 P C 0.993 178.314 177.300 0.035 0.000 1.199 1310 P CA 1.002 64.030 63.100 -0.119 0.000 0.763 1310 P CB 0.711 32.391 31.700 -0.034 0.000 0.790 1311 G N 3.259 112.100 108.800 0.068 0.000 2.179 1311 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.260 1311 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.260 1311 G C 0.142 175.094 174.900 0.086 0.000 0.977 1311 G CA -0.482 44.679 45.100 0.102 0.000 0.641 1311 G HN 0.485 nan 8.290 nan 0.000 0.533 1312 I N 1.923 122.548 120.570 0.092 0.000 2.301 1312 I HA 0.291 4.459 4.170 -0.003 0.000 0.292 1312 I C 0.631 176.798 176.117 0.084 0.000 1.046 1312 I CA -0.535 60.822 61.300 0.096 0.000 1.282 1312 I CB 0.589 38.687 38.000 0.163 0.000 1.409 1312 I HN 0.199 nan 8.210 nan 0.000 0.484 1313 E N 4.607 124.843 120.200 0.060 0.000 2.331 1313 E HA 0.428 4.777 4.350 -0.003 0.000 0.272 1313 E C 0.504 177.126 176.600 0.037 0.000 1.036 1313 E CA -0.346 56.088 56.400 0.056 0.000 0.864 1313 E CB 0.968 30.698 29.700 0.051 0.000 1.035 1313 E HN 0.683 nan 8.360 nan 0.000 0.408 1314 A N 2.940 125.788 122.820 0.046 0.000 2.519 1314 A HA -0.211 4.107 4.320 -0.003 0.000 0.297 1314 A C 0.028 177.616 177.584 0.007 0.000 1.472 1314 A CA 0.640 52.695 52.037 0.029 0.000 0.739 1314 A CB -1.972 17.033 19.000 0.008 0.000 1.096 1314 A HN 0.706 nan 8.150 nan 0.000 0.414 1315 H N 0.616 119.644 119.070 -0.071 0.000 2.928 1315 H HA 0.137 4.691 4.556 -0.003 0.000 0.338 1315 H C -1.168 174.083 175.328 -0.128 0.000 1.047 1315 H CA -0.343 55.609 56.048 -0.160 0.000 1.435 1315 H CB 0.768 30.356 29.762 -0.290 0.000 1.428 1315 H HN 0.210 nan 8.280 nan 0.000 0.590 1316 P HA -0.194 nan 4.420 nan 0.000 0.217 1316 P C 1.673 178.993 177.300 0.033 0.000 1.148 1316 P CA 0.711 63.716 63.100 -0.160 0.000 0.834 1316 P CB 0.240 31.780 31.700 -0.266 0.000 0.783 1317 V N -1.161 118.890 119.914 0.229 0.000 2.867 1317 V HA -0.152 3.966 4.120 -0.003 0.000 0.260 1317 V C 1.890 178.117 176.094 0.221 0.000 1.099 1317 V CA 1.450 63.881 62.300 0.219 0.000 1.122 1317 V CB -0.807 31.096 31.823 0.134 0.000 0.708 1317 V HN 0.145 nan 8.190 nan 0.000 0.490 1318 L N -0.233 121.095 121.223 0.175 0.000 2.667 1318 L HA 0.233 4.571 4.340 -0.003 0.000 0.232 1318 L C 0.698 177.620 176.870 0.087 0.000 1.138 1318 L CA 0.100 55.029 54.840 0.149 0.000 0.921 1318 L CB -0.086 42.054 42.059 0.135 0.000 1.180 1318 L HN 0.380 nan 8.230 nan 0.000 0.487 1319 K N -1.112 119.328 120.400 0.068 0.000 2.466 1319 K HA 0.517 4.835 4.320 -0.003 0.000 0.260 1319 K C -0.924 175.695 176.600 0.031 0.000 1.011 1319 K CA -1.003 55.307 56.287 0.038 0.000 0.871 1319 K CB 1.278 33.789 32.500 0.019 0.000 1.404 1319 K HN -0.263 nan 8.250 nan 0.000 0.450 1320 E N 1.119 121.331 120.200 0.020 0.000 2.467 1320 E HA -0.025 4.323 4.350 -0.003 0.000 0.264 1320 E C -0.474 176.132 176.600 0.011 0.000 1.020 1320 E CA -0.240 56.170 56.400 0.016 0.000 0.945 1320 E CB 0.335 30.040 29.700 0.009 0.000 0.942 1320 E HN 0.462 nan 8.360 nan 0.000 0.449 1321 L N 2.962 124.193 121.223 0.013 0.000 2.470 1321 L HA 0.260 4.598 4.340 -0.003 0.000 0.253 1321 L C -1.310 175.563 176.870 0.005 0.000 1.163 1321 L CA -0.741 54.105 54.840 0.009 0.000 0.932 1321 L CB 0.693 42.764 42.059 0.019 0.000 1.213 1321 L HN 0.431 nan 8.230 nan 0.000 0.485 1322 D N 2.135 122.535 120.400 -0.000 0.000 2.358 1322 D HA 0.266 4.904 4.640 -0.003 0.000 0.258 1322 D C 0.266 176.563 176.300 -0.005 0.000 1.223 1322 D CA 0.813 54.811 54.000 -0.003 0.000 0.886 1322 D CB 1.209 42.007 40.800 -0.004 0.000 1.120 1322 D HN 0.336 nan 8.370 nan 0.000 0.482 1323 T N 1.561 116.112 114.554 -0.006 0.000 2.903 1323 T HA 0.538 4.886 4.350 -0.003 0.000 0.299 1323 T C -2.609 172.084 174.700 -0.013 0.000 1.093 1323 T CA -2.086 60.009 62.100 -0.010 0.000 1.002 1323 T CB 1.079 69.941 68.868 -0.010 0.000 1.127 1323 T HN -0.034 nan 8.240 nan 0.000 0.488 1324 P HA 0.202 nan 4.420 nan 0.000 0.268 1324 P C -2.082 175.205 177.300 -0.021 0.000 1.208 1324 P CA -1.056 62.033 63.100 -0.018 0.000 0.777 1324 P CB 0.128 31.816 31.700 -0.020 0.000 0.875 1325 P HA -0.150 nan 4.420 nan 0.000 0.215 1325 P C 0.978 178.262 177.300 -0.027 0.000 1.157 1325 P CA 1.609 64.697 63.100 -0.020 0.000 0.868 1325 P CB -0.137 31.553 31.700 -0.016 0.000 0.788 1326 N N -1.000 117.682 118.700 -0.030 0.000 2.223 1326 N HA -0.099 4.640 4.740 -0.003 0.000 0.185 1326 N C 1.499 176.976 175.510 -0.056 0.000 1.016 1326 N CA 0.576 53.603 53.050 -0.038 0.000 0.863 1326 N CB -0.313 38.154 38.487 -0.034 0.000 0.983 1326 N HN -0.081 nan 8.380 nan 0.000 0.429 1327 V N 1.112 120.991 119.914 -0.058 0.000 2.270 1327 V HA -0.210 3.908 4.120 -0.003 0.000 0.245 1327 V C 2.224 178.271 176.094 -0.077 0.000 1.043 1327 V CA 1.643 63.894 62.300 -0.083 0.000 1.014 1327 V CB -0.551 31.233 31.823 -0.065 0.000 0.645 1327 V HN 0.357 nan 8.190 nan 0.000 0.447 1328 E N 0.637 120.810 120.200 -0.045 0.000 2.058 1328 E HA -0.312 4.036 4.350 -0.003 0.000 0.194 1328 E C 2.299 178.880 176.600 -0.032 0.000 0.997 1328 E CA 1.887 58.269 56.400 -0.030 0.000 0.801 1328 E CB -0.184 29.506 29.700 -0.016 0.000 0.746 1328 E HN 0.555 nan 8.360 nan 0.000 0.450 1329 K N 0.049 120.428 120.400 -0.036 0.000 2.032 1329 K HA -0.207 4.111 4.320 -0.003 0.000 0.209 1329 K C 2.073 178.647 176.600 -0.043 0.000 1.048 1329 K CA 1.465 57.732 56.287 -0.034 0.000 0.927 1329 K CB -0.276 32.205 32.500 -0.032 0.000 0.712 1329 K HN 0.199 nan 8.250 nan 0.000 0.441 1330 A N 1.242 124.019 122.820 -0.072 0.000 1.902 1330 A HA -0.114 4.204 4.320 -0.003 0.000 0.217 1330 A C 2.148 179.680 177.584 -0.086 0.000 1.181 1330 A CA 1.304 53.280 52.037 -0.103 0.000 0.623 1330 A CB -0.595 18.296 19.000 -0.181 0.000 0.818 1330 A HN 0.344 nan 8.150 nan 0.000 0.443 1331 L N -1.076 120.098 121.223 -0.082 0.000 2.083 1331 L HA -0.186 4.152 4.340 -0.003 0.000 0.209 1331 L C 2.870 179.781 176.870 0.069 0.000 1.083 1331 L CA 1.311 56.158 54.840 0.012 0.000 0.752 1331 L CB -0.457 41.608 42.059 0.010 0.000 0.899 1331 L HN 0.381 nan 8.230 nan 0.000 0.433 1332 R N -0.124 120.386 120.500 0.017 0.000 2.092 1332 R HA -0.101 4.237 4.340 -0.003 0.000 0.231 1332 R C 2.275 178.571 176.300 -0.006 0.000 1.119 1332 R CA 1.017 57.121 56.100 0.007 0.000 0.970 1332 R CB -0.309 29.989 30.300 -0.003 0.000 0.864 1332 R HN 0.341 nan 8.270 nan 0.000 0.440 1333 L N -0.268 120.953 121.223 -0.005 0.000 2.093 1333 L HA -0.174 4.164 4.340 -0.003 0.000 0.208 1333 L C 2.325 179.184 176.870 -0.018 0.000 1.085 1333 L CA 0.938 55.767 54.840 -0.019 0.000 0.755 1333 L CB -0.404 41.644 42.059 -0.019 0.000 0.904 1333 L HN 0.117 nan 8.230 nan 0.000 0.435 1334 F N 1.118 120.979 119.950 -0.148 0.000 2.134 1334 F HA -0.089 4.436 4.527 -0.003 0.000 0.299 1334 F C 2.229 177.910 175.800 -0.198 0.000 1.097 1334 F CA 1.339 59.227 58.000 -0.186 0.000 1.264 1334 F CB -0.884 38.058 39.000 -0.096 0.000 1.001 1334 F HN -0.023 nan 8.300 nan 0.000 0.479 1335 G N -0.451 108.195 108.800 -0.257 0.000 2.442 1335 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.219 1335 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.219 1335 G C 1.510 176.210 174.900 -0.334 0.000 1.141 1335 G CA 0.907 45.802 45.100 -0.342 0.000 0.763 1335 G HN 0.493 nan 8.290 nan 0.000 0.554 1336 Q N -0.549 119.145 119.800 -0.177 0.000 2.245 1336 Q HA 0.229 4.567 4.340 -0.003 0.000 0.201 1336 Q C 2.556 178.430 176.000 -0.210 0.000 0.955 1336 Q CA 0.206 55.965 55.803 -0.073 0.000 0.870 1336 Q CB -0.101 28.611 28.738 -0.043 0.000 0.945 1336 Q HN 0.417 nan 8.270 nan 0.000 0.461 1337 L N 0.357 121.352 121.223 -0.380 0.000 2.131 1337 L HA -0.172 4.166 4.340 -0.003 0.000 0.210 1337 L C 2.025 178.597 176.870 -0.496 0.000 1.092 1337 L CA 0.845 55.326 54.840 -0.598 0.000 0.759 1337 L CB -0.249 41.136 42.059 -1.122 0.000 0.903 1337 L HN 0.313 nan 8.230 nan 0.000 0.435 1338 L N -1.124 119.793 121.223 -0.511 0.000 2.275 1338 L HA -0.196 4.142 4.340 -0.003 0.000 0.215 1338 L C 2.130 178.879 176.870 -0.201 0.000 1.119 1338 L CA 0.680 55.346 54.840 -0.291 0.000 0.790 1338 L CB -0.687 41.096 42.059 -0.460 0.000 0.919 1338 L HN 0.410 nan 8.230 nan 0.000 0.443 1339 H N -1.194 117.745 119.070 -0.219 0.000 2.547 1339 H HA 0.116 4.670 4.556 -0.003 0.000 0.266 1339 H C 0.987 176.123 175.328 -0.319 0.000 0.988 1339 H CA 0.099 55.824 56.048 -0.537 0.000 1.147 1339 H CB 0.356 29.796 29.762 -0.538 0.000 1.365 1339 H HN 0.091 nan 8.280 nan 0.000 0.589 1340 S N 0.978 116.693 115.700 0.026 0.000 2.430 1340 S HA 0.134 4.602 4.470 -0.003 0.000 0.289 1340 S C 1.495 176.247 174.600 0.253 0.000 1.143 1340 S CA -0.697 57.560 58.200 0.097 0.000 1.067 1340 S CB 1.371 64.606 63.200 0.058 0.000 0.964 1340 S HN 0.383 nan 8.310 nan 0.000 0.485 1341 R N 4.088 124.742 120.500 0.256 0.000 2.083 1341 R HA -0.129 4.209 4.340 -0.003 0.000 0.237 1341 R C 2.167 178.552 176.300 0.141 0.000 1.137 1341 R CA 1.881 58.107 56.100 0.210 0.000 0.951 1341 R CB -0.797 29.590 30.300 0.145 0.000 0.851 1341 R HN 0.801 nan 8.270 nan 0.000 0.434 1342 A N 0.426 123.322 122.820 0.127 0.000 1.902 1342 A HA -0.205 4.113 4.320 -0.003 0.000 0.217 1342 A C 2.013 179.684 177.584 0.146 0.000 1.181 1342 A CA 1.424 53.536 52.037 0.125 0.000 0.623 1342 A CB -0.818 18.266 19.000 0.140 0.000 0.818 1342 A HN 0.555 nan 8.150 nan 0.000 0.443 1343 F N 0.030 120.018 119.950 0.063 0.000 2.075 1343 F HA -0.147 4.378 4.527 -0.003 0.000 0.297 1343 F C 1.888 177.749 175.800 0.102 0.000 1.113 1343 F CA 1.897 59.939 58.000 0.070 0.000 1.218 1343 F CB -0.303 38.714 39.000 0.029 0.000 0.984 1343 F HN 0.203 nan 8.300 nan 0.000 0.472 1344 L N 0.496 121.858 121.223 0.231 0.000 2.046 1344 L HA -0.158 4.180 4.340 -0.003 0.000 0.208 1344 L C 2.137 178.985 176.870 -0.036 0.000 1.077 1344 L CA 1.667 56.599 54.840 0.154 0.000 0.747 1344 L CB -1.019 41.169 42.059 0.214 0.000 0.896 1344 L HN 0.273 nan 8.230 nan 0.000 0.432 1345 L N -1.299 119.895 121.223 -0.048 0.000 2.012 1345 L HA -0.256 4.082 4.340 -0.003 0.000 0.210 1345 L C 2.325 179.113 176.870 -0.137 0.000 1.073 1345 L CA 1.979 56.744 54.840 -0.126 0.000 0.748 1345 L CB -1.124 40.942 42.059 0.011 0.000 0.891 1345 L HN 0.272 nan 8.230 nan 0.000 0.431 1346 T N -0.361 114.148 114.554 -0.076 0.000 2.737 1346 T HA -0.202 4.146 4.350 -0.003 0.000 0.265 1346 T C 1.604 176.207 174.700 -0.162 0.000 1.038 1346 T CA 1.303 63.357 62.100 -0.076 0.000 1.144 1346 T CB -0.393 68.430 68.868 -0.075 0.000 0.866 1346 T HN 0.179 nan 8.240 nan 0.000 0.434 1347 F N 1.872 121.521 119.950 -0.503 0.000 2.065 1347 F HA -0.102 4.423 4.527 -0.003 0.000 0.298 1347 F C 1.989 177.567 175.800 -0.370 0.000 1.112 1347 F CA 0.885 58.581 58.000 -0.507 0.000 1.212 1347 F CB -0.741 37.860 39.000 -0.666 0.000 0.975 1347 F HN 0.097 nan 8.300 nan 0.000 0.476 1348 I N -0.688 119.596 120.570 -0.477 0.000 2.202 1348 I HA -0.324 3.844 4.170 -0.003 0.000 0.242 1348 I C 2.513 178.320 176.117 -0.516 0.000 1.091 1348 I CA 1.268 62.206 61.300 -0.604 0.000 1.368 1348 I CB -0.675 37.035 38.000 -0.484 0.000 1.058 1348 I HN 0.169 nan 8.210 nan 0.000 0.410 1349 H N 0.090 118.990 119.070 -0.284 0.000 2.423 1349 H HA -0.093 4.461 4.556 -0.003 0.000 0.297 1349 H C 2.396 177.555 175.328 -0.281 0.000 1.075 1349 H CA 1.697 57.603 56.048 -0.237 0.000 1.342 1349 H CB -0.569 29.097 29.762 -0.159 0.000 1.395 1349 H HN 0.297 nan 8.280 nan 0.000 0.530 1350 T N 1.487 115.916 114.554 -0.208 0.000 2.737 1350 T HA -0.057 4.291 4.350 -0.003 0.000 0.265 1350 T C 2.487 176.906 174.700 -0.468 0.000 1.038 1350 T CA 0.640 62.585 62.100 -0.259 0.000 1.144 1350 T CB -0.327 68.419 68.868 -0.202 0.000 0.866 1350 T HN 0.164 nan 8.240 nan 0.000 0.434 1351 L N 0.793 121.563 121.223 -0.756 0.000 2.012 1351 L HA -0.147 4.191 4.340 -0.003 0.000 0.210 1351 L C 2.730 178.921 176.870 -1.131 0.000 1.073 1351 L CA 1.579 55.629 54.840 -1.316 0.000 0.748 1351 L CB -0.579 40.354 42.059 -1.876 0.000 0.891 1351 L HN 0.346 nan 8.230 nan 0.000 0.431 1352 E N -0.197 119.607 120.200 -0.660 0.000 2.268 1352 E HA -0.146 4.202 4.350 -0.003 0.000 0.195 1352 E C 2.044 178.567 176.600 -0.128 0.000 0.995 1352 E CA 0.831 57.104 56.400 -0.212 0.000 0.836 1352 E CB -0.038 29.608 29.700 -0.090 0.000 0.763 1352 E HN 0.484 nan 8.360 nan 0.000 0.491 1353 A N 0.860 123.567 122.820 -0.189 0.000 2.206 1353 A HA -0.048 4.270 4.320 -0.003 0.000 0.211 1353 A C 0.737 178.259 177.584 -0.103 0.000 1.158 1353 A CA 0.351 52.318 52.037 -0.118 0.000 0.761 1353 A CB 0.173 19.105 19.000 -0.112 0.000 0.801 1353 A HN 0.026 nan 8.150 nan 0.000 0.473 1354 Q N 0.170 119.873 119.800 -0.162 0.000 2.256 1354 Q HA 0.265 4.603 4.340 -0.003 0.000 0.254 1354 Q C 1.076 177.102 176.000 0.043 0.000 0.916 1354 Q CA 0.479 56.230 55.803 -0.087 0.000 0.932 1354 Q CB 1.345 29.917 28.738 -0.278 0.000 1.207 1354 Q HN 0.474 nan 8.270 nan 0.000 0.426 1355 S N 0.719 116.463 115.700 0.075 0.000 2.428 1355 S HA -0.144 4.324 4.470 -0.003 0.000 0.230 1355 S C 1.547 176.226 174.600 0.131 0.000 1.014 1355 S CA 1.130 59.382 58.200 0.087 0.000 0.957 1355 S CB -0.095 63.143 63.200 0.064 0.000 0.784 1355 S HN 0.587 nan 8.310 nan 0.000 0.499 1356 S N 0.354 116.173 115.700 0.198 0.000 2.522 1356 S HA 0.168 4.636 4.470 -0.003 0.000 0.227 1356 S C 0.236 175.035 174.600 0.331 0.000 0.986 1356 S CA -0.355 57.994 58.200 0.248 0.000 0.929 1356 S CB -0.787 62.586 63.200 0.288 0.000 0.769 1356 S HN 0.441 nan 8.310 nan 0.000 0.529 1357 F N 4.819 124.838 119.950 0.115 0.000 2.439 1357 F HA 0.429 4.954 4.527 -0.003 0.000 0.356 1357 F C 0.757 176.574 175.800 0.028 0.000 1.161 1357 F CA -1.184 56.848 58.000 0.054 0.000 1.151 1357 F CB 0.028 38.924 39.000 -0.174 0.000 1.222 1357 F HN 0.245 nan 8.300 nan 0.000 0.558 1358 S N 5.652 121.211 115.700 -0.235 0.000 2.655 1358 S HA 0.215 4.683 4.470 -0.003 0.000 0.265 1358 S C 1.323 175.740 174.600 -0.305 0.000 1.240 1358 S CA -0.902 57.188 58.200 -0.182 0.000 0.986 1358 S CB 0.994 64.146 63.200 -0.080 0.000 0.985 1358 S HN 0.635 nan 8.310 nan 0.000 0.562 1359 M N 0.177 119.678 119.600 -0.166 0.000 2.159 1359 M HA -0.031 4.448 4.480 -0.003 0.000 0.263 1359 M C 2.216 178.413 176.300 -0.171 0.000 1.063 1359 M CA 1.494 56.703 55.300 -0.151 0.000 1.110 1359 M CB -1.536 31.018 32.600 -0.077 0.000 1.374 1359 M HN 0.832 nan 8.290 nan 0.000 0.411 1360 R N 1.159 121.576 120.500 -0.137 0.000 2.073 1360 R HA -0.135 4.203 4.340 -0.003 0.000 0.234 1360 R C 1.640 177.850 176.300 -0.150 0.000 1.134 1360 R CA 1.788 57.829 56.100 -0.099 0.000 0.952 1360 R CB -0.518 29.757 30.300 -0.042 0.000 0.850 1360 R HN 0.313 nan 8.270 nan 0.000 0.433 1361 D N -0.207 120.025 120.400 -0.281 0.000 2.117 1361 D HA -0.143 4.495 4.640 -0.003 0.000 0.197 1361 D C 2.022 177.946 176.300 -0.628 0.000 0.987 1361 D CA 1.225 54.959 54.000 -0.444 0.000 0.829 1361 D CB -0.169 40.140 40.800 -0.817 0.000 0.961 1361 D HN 0.204 nan 8.370 nan 0.000 0.460 1362 R N 0.326 120.397 120.500 -0.715 0.000 2.103 1362 R HA -0.099 4.239 4.340 -0.003 0.000 0.242 1362 R C 2.426 178.617 176.300 -0.183 0.000 1.142 1362 R CA 1.522 57.411 56.100 -0.351 0.000 0.960 1362 R CB -0.630 29.540 30.300 -0.218 0.000 0.858 1362 R HN 0.196 nan 8.270 nan 0.000 0.439 1363 G N -0.827 107.870 108.800 -0.171 0.000 2.408 1363 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.217 1363 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.217 1363 G C 1.304 176.133 174.900 -0.118 0.000 1.150 1363 G CA 1.120 46.137 45.100 -0.138 0.000 0.776 1363 G HN 0.260 nan 8.290 nan 0.000 0.542 1364 T N 0.882 115.407 114.554 -0.048 0.000 2.708 1364 T HA -0.110 4.239 4.350 -0.003 0.000 0.266 1364 T C 2.547 177.312 174.700 0.108 0.000 1.037 1364 T CA 1.283 63.444 62.100 0.101 0.000 1.146 1364 T CB -0.254 68.747 68.868 0.222 0.000 0.865 1364 T HN 0.053 nan 8.240 nan 0.000 0.435 1365 V N 1.607 121.521 119.914 0.000 0.000 2.358 1365 V HA -0.131 3.987 4.120 -0.003 0.000 0.246 1365 V C 2.868 178.966 176.094 0.006 0.000 1.047 1365 V CA 1.589 63.898 62.300 0.015 0.000 1.035 1365 V CB -1.168 30.612 31.823 -0.073 0.000 0.658 1365 V HN 0.521 nan 8.190 nan 0.000 0.452 1366 A N -0.482 122.299 122.820 -0.065 0.000 1.902 1366 A HA -0.213 4.105 4.320 -0.003 0.000 0.217 1366 A C 2.492 179.984 177.584 -0.153 0.000 1.181 1366 A CA 2.388 54.359 52.037 -0.110 0.000 0.623 1366 A CB -0.644 18.272 19.000 -0.140 0.000 0.818 1366 A HN 0.508 nan 8.150 nan 0.000 0.443 1367 S N -0.314 115.256 115.700 -0.215 0.000 2.371 1367 S HA -0.008 4.460 4.470 -0.003 0.000 0.224 1367 S C 1.831 176.364 174.600 -0.110 0.000 1.029 1367 S CA 1.249 59.212 58.200 -0.394 0.000 0.978 1367 S CB -0.406 62.212 63.200 -0.970 0.000 0.833 1367 S HN 0.498 nan 8.310 nan 0.000 0.466 1368 L N 1.062 122.368 121.223 0.138 0.000 2.046 1368 L HA -0.115 4.223 4.340 -0.003 0.000 0.208 1368 L C 2.633 179.600 176.870 0.162 0.000 1.077 1368 L CA 1.152 56.152 54.840 0.267 0.000 0.747 1368 L CB -1.113 41.154 42.059 0.347 0.000 0.896 1368 L HN 0.302 nan 8.230 nan 0.000 0.432 1369 T N -0.582 114.041 114.554 0.116 0.000 2.746 1369 T HA -0.143 4.205 4.350 -0.003 0.000 0.267 1369 T C 1.966 176.709 174.700 0.071 0.000 1.039 1369 T CA 1.144 63.300 62.100 0.093 0.000 1.142 1369 T CB -0.069 68.843 68.868 0.074 0.000 0.866 1369 T HN 0.116 nan 8.240 nan 0.000 0.444 1370 M N 0.823 120.437 119.600 0.023 0.000 2.229 1370 M HA 0.027 4.505 4.480 -0.003 0.000 0.264 1370 M C 2.431 178.877 176.300 0.242 0.000 1.063 1370 M CA 0.836 56.175 55.300 0.065 0.000 1.114 1370 M CB -1.250 31.239 32.600 -0.184 0.000 1.387 1370 M HN 0.133 nan 8.290 nan 0.000 0.420 1371 V N 0.541 120.529 119.914 0.124 0.000 2.295 1371 V HA -0.212 3.906 4.120 -0.003 0.000 0.246 1371 V C 2.651 178.812 176.094 0.110 0.000 1.049 1371 V CA 1.819 64.136 62.300 0.028 0.000 1.024 1371 V CB -1.298 30.457 31.823 -0.113 0.000 0.648 1371 V HN 0.480 nan 8.190 nan 0.000 0.447 1372 A N -0.680 122.207 122.820 0.113 0.000 2.019 1372 A HA -0.057 4.261 4.320 -0.003 0.000 0.219 1372 A C 2.002 179.653 177.584 0.110 0.000 1.164 1372 A CA 1.411 53.505 52.037 0.095 0.000 0.644 1372 A CB -0.372 18.653 19.000 0.041 0.000 0.805 1372 A HN 0.544 nan 8.150 nan 0.000 0.449 1373 L N -0.874 120.443 121.223 0.156 0.000 2.667 1373 L HA 0.055 4.393 4.340 -0.003 0.000 0.232 1373 L C 2.157 179.173 176.870 0.244 0.000 1.138 1373 L CA 0.445 55.414 54.840 0.215 0.000 0.921 1373 L CB 0.005 42.204 42.059 0.233 0.000 1.180 1373 L HN 0.487 nan 8.230 nan 0.000 0.487 1374 Q N 1.387 121.329 119.800 0.238 0.000 2.181 1374 Q HA -0.214 4.124 4.340 -0.003 0.000 0.205 1374 Q C 2.065 178.136 176.000 0.118 0.000 0.980 1374 Q CA 2.277 58.186 55.803 0.177 0.000 0.862 1374 Q CB -0.093 28.731 28.738 0.143 0.000 0.905 1374 Q HN 0.479 nan 8.270 nan 0.000 0.429 1375 S N -1.535 114.244 115.700 0.131 0.000 2.603 1375 S HA 0.105 4.573 4.470 -0.003 0.000 0.220 1375 S C 0.985 175.626 174.600 0.069 0.000 0.967 1375 S CA -0.073 58.173 58.200 0.076 0.000 0.920 1375 S CB 0.172 63.413 63.200 0.068 0.000 0.773 1375 S HN 0.360 nan 8.310 nan 0.000 0.529 1376 R N 0.424 121.003 120.500 0.130 0.000 2.638 1376 R HA 0.429 4.767 4.340 -0.003 0.000 0.269 1376 R C 0.252 176.670 176.300 0.196 0.000 1.393 1376 R CA -0.101 56.084 56.100 0.140 0.000 1.531 1376 R CB -0.040 30.357 30.300 0.161 0.000 1.327 1376 R HN 0.308 nan 8.270 nan 0.000 0.709 1377 L N 0.498 121.797 121.223 0.128 0.000 2.275 1377 L HA -0.176 4.162 4.340 -0.003 0.000 0.215 1377 L C 1.762 178.708 176.870 0.126 0.000 1.119 1377 L CA 1.202 56.127 54.840 0.141 0.000 0.790 1377 L CB -0.206 41.893 42.059 0.065 0.000 0.919 1377 L HN 0.496 nan 8.230 nan 0.000 0.443 1378 D N -0.473 119.982 120.400 0.093 0.000 2.097 1378 D HA -0.315 4.323 4.640 -0.003 0.000 0.195 1378 D C 2.072 178.440 176.300 0.114 0.000 0.989 1378 D CA 1.394 55.442 54.000 0.079 0.000 0.827 1378 D CB -0.755 40.078 40.800 0.054 0.000 0.966 1378 D HN 0.383 nan 8.370 nan 0.000 0.456 1379 Y N 1.771 122.096 120.300 0.042 0.000 2.145 1379 Y HA -0.059 4.489 4.550 -0.003 0.000 0.286 1379 Y C 2.640 178.572 175.900 0.052 0.000 1.145 1379 Y CA 2.161 60.291 58.100 0.050 0.000 1.148 1379 Y CB -0.655 37.851 38.460 0.077 0.000 0.981 1379 Y HN 0.046 nan 8.280 nan 0.000 0.507 1380 A N -0.417 122.408 122.820 0.008 0.000 1.948 1380 A HA -0.225 4.093 4.320 -0.003 0.000 0.220 1380 A C 2.215 179.698 177.584 -0.168 0.000 1.177 1380 A CA 2.456 54.433 52.037 -0.100 0.000 0.636 1380 A CB -1.402 17.679 19.000 0.135 0.000 0.815 1380 A HN 0.556 nan 8.150 nan 0.000 0.449 1381 T N -0.454 114.067 114.554 -0.055 0.000 2.821 1381 T HA 0.010 4.358 4.350 -0.003 0.000 0.267 1381 T C 1.978 176.544 174.700 -0.223 0.000 1.046 1381 T CA 1.275 63.305 62.100 -0.118 0.000 1.139 1381 T CB -0.581 68.340 68.868 0.089 0.000 0.871 1381 T HN 0.595 nan 8.240 nan 0.000 0.454 1382 G N 1.330 110.025 108.800 -0.175 0.000 2.446 1382 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.217 1382 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.217 1382 G C 1.509 176.254 174.900 -0.259 0.000 1.168 1382 G CA 0.438 45.431 45.100 -0.177 0.000 0.771 1382 G HN 0.421 nan 8.290 nan 0.000 0.551 1383 L N -0.392 120.604 121.223 -0.378 0.000 2.083 1383 L HA -0.019 4.319 4.340 -0.003 0.000 0.209 1383 L C 2.716 179.408 176.870 -0.297 0.000 1.083 1383 L CA 0.584 55.214 54.840 -0.350 0.000 0.752 1383 L CB -0.227 41.549 42.059 -0.471 0.000 0.899 1383 L HN 0.276 nan 8.230 nan 0.000 0.433 1384 L N -0.011 121.003 121.223 -0.349 0.000 2.017 1384 L HA -0.246 4.092 4.340 -0.003 0.000 0.208 1384 L C 2.434 179.040 176.870 -0.439 0.000 1.073 1384 L CA 1.864 56.462 54.840 -0.403 0.000 0.745 1384 L CB -0.535 41.187 42.059 -0.562 0.000 0.894 1384 L HN 0.092 nan 8.230 nan 0.000 0.432 1385 K N -1.011 119.082 120.400 -0.512 0.000 2.097 1385 K HA -0.234 4.084 4.320 -0.003 0.000 0.206 1385 K C 2.168 178.623 176.600 -0.242 0.000 1.049 1385 K CA 1.518 57.422 56.287 -0.640 0.000 0.933 1385 K CB -0.168 31.940 32.500 -0.653 0.000 0.717 1385 K HN 0.330 nan 8.250 nan 0.000 0.442 1386 Q N 1.356 121.057 119.800 -0.165 0.000 2.084 1386 Q HA -0.078 4.260 4.340 -0.003 0.000 0.202 1386 Q C 1.887 177.866 176.000 -0.034 0.000 0.978 1386 Q CA 1.391 57.160 55.803 -0.057 0.000 0.844 1386 Q CB -0.221 28.483 28.738 -0.057 0.000 0.898 1386 Q HN 0.264 nan 8.270 nan 0.000 0.426 1387 L N -0.458 120.709 121.223 -0.094 0.000 2.042 1387 L HA -0.199 4.140 4.340 -0.003 0.000 0.210 1387 L C 2.312 179.156 176.870 -0.044 0.000 1.076 1387 L CA 1.040 55.838 54.840 -0.071 0.000 0.749 1387 L CB -0.438 41.525 42.059 -0.161 0.000 0.893 1387 L HN 0.274 nan 8.230 nan 0.000 0.432 1388 L N -0.782 120.395 121.223 -0.077 0.000 2.056 1388 L HA -0.158 4.180 4.340 -0.003 0.000 0.207 1388 L C 2.858 179.754 176.870 0.043 0.000 1.078 1388 L CA 1.053 55.880 54.840 -0.022 0.000 0.749 1388 L CB -0.703 41.358 42.059 0.004 0.000 0.901 1388 L HN 0.222 nan 8.230 nan 0.000 0.433 1389 A N -0.087 122.811 122.820 0.130 0.000 1.902 1389 A HA -0.236 4.082 4.320 -0.003 0.000 0.217 1389 A C 1.910 179.492 177.584 -0.004 0.000 1.181 1389 A CA 2.021 54.104 52.037 0.077 0.000 0.623 1389 A CB -0.528 18.545 19.000 0.122 0.000 0.818 1389 A HN 0.337 nan 8.150 nan 0.000 0.443 1390 D N -0.496 119.910 120.400 0.009 0.000 2.117 1390 D HA -0.132 4.506 4.640 -0.003 0.000 0.197 1390 D C 1.850 178.125 176.300 -0.043 0.000 0.987 1390 D CA 1.343 55.335 54.000 -0.013 0.000 0.829 1390 D CB -0.411 40.420 40.800 0.052 0.000 0.961 1390 D HN 0.367 nan 8.370 nan 0.000 0.460 1391 L N 0.507 121.712 121.223 -0.030 0.000 2.046 1391 L HA -0.081 4.257 4.340 -0.003 0.000 0.208 1391 L C 2.085 178.893 176.870 -0.104 0.000 1.077 1391 L CA 1.354 56.158 54.840 -0.059 0.000 0.747 1391 L CB -0.320 41.700 42.059 -0.065 0.000 0.896 1391 L HN -0.002 nan 8.230 nan 0.000 0.432 1392 I N -0.627 119.859 120.570 -0.140 0.000 2.202 1392 I HA -0.233 3.935 4.170 -0.003 0.000 0.242 1392 I C 2.496 178.542 176.117 -0.118 0.000 1.091 1392 I CA 1.270 62.451 61.300 -0.200 0.000 1.368 1392 I CB -0.347 37.471 38.000 -0.303 0.000 1.058 1392 I HN 0.330 nan 8.210 nan 0.000 0.410 1393 E N 1.783 121.930 120.200 -0.087 0.000 2.038 1393 E HA -0.288 4.060 4.350 -0.003 0.000 0.195 1393 E C 2.103 178.669 176.600 -0.057 0.000 1.000 1393 E CA 1.771 58.135 56.400 -0.060 0.000 0.803 1393 E CB -0.233 29.435 29.700 -0.053 0.000 0.750 1393 E HN 0.253 nan 8.360 nan 0.000 0.448 1394 K N -0.201 120.157 120.400 -0.069 0.000 2.044 1394 K HA -0.219 4.099 4.320 -0.003 0.000 0.210 1394 K C 1.785 178.354 176.600 -0.051 0.000 1.049 1394 K CA 1.800 58.047 56.287 -0.067 0.000 0.927 1394 K CB -0.206 32.243 32.500 -0.084 0.000 0.713 1394 K HN 0.108 nan 8.250 nan 0.000 0.443 1395 N N 0.877 119.545 118.700 -0.053 0.000 2.142 1395 N HA -0.111 4.627 4.740 -0.003 0.000 0.186 1395 N C 1.848 177.350 175.510 -0.014 0.000 1.023 1395 N CA 1.013 54.041 53.050 -0.036 0.000 0.852 1395 N CB -0.213 38.246 38.487 -0.047 0.000 0.998 1395 N HN 0.235 nan 8.380 nan 0.000 0.424 1396 L N 0.828 122.044 121.223 -0.012 0.000 2.291 1396 L HA -0.020 4.318 4.340 -0.003 0.000 0.214 1396 L C 1.830 178.703 176.870 0.004 0.000 1.120 1396 L CA 0.905 55.753 54.840 0.014 0.000 0.799 1396 L CB -0.094 41.983 42.059 0.030 0.000 0.925 1396 L HN 0.178 nan 8.230 nan 0.000 0.446 1397 E N -0.914 119.279 120.200 -0.011 0.000 2.364 1397 E HA -0.001 4.347 4.350 -0.003 0.000 0.196 1397 E C 2.023 178.614 176.600 -0.015 0.000 0.990 1397 E CA 0.132 56.524 56.400 -0.014 0.000 0.886 1397 E CB 0.473 30.160 29.700 -0.021 0.000 0.866 1397 E HN 0.264 nan 8.360 nan 0.000 0.493 1398 S N 0.909 116.598 115.700 -0.017 0.000 2.547 1398 S HA -0.070 4.398 4.470 -0.003 0.000 0.235 1398 S C 0.727 175.324 174.600 -0.005 0.000 0.980 1398 S CA 0.479 58.670 58.200 -0.014 0.000 0.941 1398 S CB 0.003 63.193 63.200 -0.017 0.000 0.763 1398 S HN 0.101 nan 8.310 nan 0.000 0.532 1399 K N 1.529 121.928 120.400 -0.001 0.000 3.161 1399 K HA -0.104 4.214 4.320 -0.003 0.000 0.270 1399 K C -1.103 175.505 176.600 0.012 0.000 1.115 1399 K CA 0.216 56.507 56.287 0.007 0.000 0.789 1399 K CB -2.158 30.343 32.500 0.003 0.000 1.256 1399 K HN 0.415 nan 8.250 nan 0.000 0.492 1400 N N -0.062 118.648 118.700 0.017 0.000 2.434 1400 N HA 0.163 4.901 4.740 -0.003 0.000 0.266 1400 N C 0.735 176.270 175.510 0.041 0.000 1.223 1400 N CA 0.435 53.499 53.050 0.024 0.000 0.972 1400 N CB 0.051 38.549 38.487 0.020 0.000 1.207 1400 N HN 0.424 nan 8.380 nan 0.000 0.525 1401 H N 0.045 119.142 119.070 0.044 0.000 3.034 1401 H HA 0.072 4.626 4.556 -0.003 0.000 0.324 1401 H C -1.560 173.829 175.328 0.102 0.000 1.015 1401 H CA -1.008 55.074 56.048 0.058 0.000 1.429 1401 H CB -0.685 29.106 29.762 0.048 0.000 1.429 1401 H HN 0.450 nan 8.280 nan 0.000 0.585 1402 P HA -0.181 nan 4.420 nan 0.000 0.213 1402 P C 1.312 178.806 177.300 0.322 0.000 1.170 1402 P CA 1.928 65.166 63.100 0.230 0.000 0.902 1402 P CB 0.091 31.855 31.700 0.107 0.000 0.789 1403 K N -0.718 119.776 120.400 0.156 0.000 2.211 1403 K HA -0.080 4.238 4.320 -0.003 0.000 0.204 1403 K C 2.001 178.716 176.600 0.191 0.000 1.047 1403 K CA 1.533 57.910 56.287 0.151 0.000 0.935 1403 K CB -1.088 31.445 32.500 0.055 0.000 0.728 1403 K HN 0.090 nan 8.250 nan 0.000 0.452 1404 L N 1.202 122.513 121.223 0.145 0.000 2.650 1404 L HA 0.238 4.576 4.340 -0.003 0.000 0.235 1404 L C 0.906 177.837 176.870 0.102 0.000 1.149 1404 L CA 0.700 55.604 54.840 0.107 0.000 0.887 1404 L CB -1.176 40.925 42.059 0.070 0.000 1.021 1404 L HN 0.152 nan 8.230 nan 0.000 0.441 1405 L N -0.409 120.907 121.223 0.154 0.000 2.375 1405 L HA 0.529 4.868 4.340 -0.003 0.000 0.271 1405 L C 1.060 177.921 176.870 -0.016 0.000 1.107 1405 L CA -0.365 54.496 54.840 0.034 0.000 0.806 1405 L CB 1.376 43.416 42.059 -0.033 0.000 1.146 1405 L HN 0.430 nan 8.230 nan 0.000 0.447 1406 L N 1.434 122.605 121.223 -0.087 0.000 4.625 1406 L HA -0.341 3.997 4.340 -0.003 0.000 0.428 1406 L C 1.257 178.141 176.870 0.023 0.000 1.129 1406 L CA 0.654 55.457 54.840 -0.060 0.000 0.978 1406 L CB -1.208 40.785 42.059 -0.110 0.000 2.043 1406 L HN 0.714 nan 8.230 nan 0.000 0.847 1407 R N 0.690 121.214 120.500 0.041 0.000 1.986 1407 R HA 0.245 4.583 4.340 -0.003 0.000 0.208 1407 R C 2.361 178.687 176.300 0.042 0.000 1.376 1407 R CA 1.876 58.013 56.100 0.061 0.000 1.075 1407 R CB -0.244 30.103 30.300 0.077 0.000 0.925 1407 R HN 0.210 nan 8.270 nan 0.000 0.475 1408 R N 0.296 120.815 120.500 0.033 0.000 2.254 1408 R HA 0.104 4.442 4.340 -0.003 0.000 0.195 1408 R C 2.005 178.311 176.300 0.009 0.000 0.957 1408 R CA 1.275 57.389 56.100 0.023 0.000 1.024 1408 R CB -1.577 28.738 30.300 0.024 0.000 0.952 1408 R HN 0.686 nan 8.270 nan 0.000 0.484 1409 T N -1.360 113.195 114.554 0.002 0.000 2.721 1409 T HA -0.202 4.146 4.350 -0.003 0.000 0.268 1409 T C 0.974 175.667 174.700 -0.012 0.000 1.038 1409 T CA 1.123 63.216 62.100 -0.011 0.000 1.145 1409 T CB -0.310 68.542 68.868 -0.027 0.000 0.858 1409 T HN 0.554 nan 8.240 nan 0.000 0.459 1410 E N 1.430 121.624 120.200 -0.010 0.000 2.440 1410 E HA -0.194 4.154 4.350 -0.003 0.000 0.246 1410 E C 0.256 176.840 176.600 -0.027 0.000 1.165 1410 E CA 0.523 56.913 56.400 -0.016 0.000 0.726 1410 E CB -1.912 27.779 29.700 -0.015 0.000 1.271 1410 E HN 0.929 nan 8.360 nan 0.000 0.397 1411 S N -2.535 113.147 115.700 -0.029 0.000 2.596 1411 S HA 0.239 4.707 4.470 -0.003 0.000 0.260 1411 S C 1.600 176.172 174.600 -0.047 0.000 1.336 1411 S CA -0.372 57.809 58.200 -0.032 0.000 0.993 1411 S CB 1.609 64.787 63.200 -0.036 0.000 0.923 1411 S HN 0.069 nan 8.310 nan 0.000 0.567 1412 V N 1.688 121.573 119.914 -0.048 0.000 2.343 1412 V HA -0.175 3.943 4.120 -0.003 0.000 0.247 1412 V C 2.960 178.992 176.094 -0.103 0.000 1.051 1412 V CA 2.304 64.561 62.300 -0.073 0.000 1.036 1412 V CB -1.819 29.954 31.823 -0.084 0.000 0.654 1412 V HN 1.015 nan 8.190 nan 0.000 0.451 1413 A N -0.241 122.514 122.820 -0.109 0.000 1.908 1413 A HA -0.284 4.034 4.320 -0.003 0.000 0.218 1413 A C 2.156 179.669 177.584 -0.119 0.000 1.181 1413 A CA 2.125 54.084 52.037 -0.130 0.000 0.627 1413 A CB -0.502 18.427 19.000 -0.118 0.000 0.818 1413 A HN 0.639 nan 8.150 nan 0.000 0.445 1414 E N -0.322 119.829 120.200 -0.082 0.000 2.106 1414 E HA -0.171 4.178 4.350 -0.003 0.000 0.192 1414 E C 2.066 178.642 176.600 -0.040 0.000 0.984 1414 E CA 1.380 57.750 56.400 -0.049 0.000 0.806 1414 E CB -0.118 29.567 29.700 -0.025 0.000 0.750 1414 E HN 0.616 nan 8.360 nan 0.000 0.458 1415 K N 0.236 120.597 120.400 -0.064 0.000 2.097 1415 K HA -0.043 4.275 4.320 -0.003 0.000 0.205 1415 K C 2.117 178.647 176.600 -0.117 0.000 1.050 1415 K CA 1.102 57.340 56.287 -0.081 0.000 0.938 1415 K CB -0.044 32.395 32.500 -0.100 0.000 0.718 1415 K HN 0.097 nan 8.250 nan 0.000 0.442 1416 M N 0.495 120.014 119.600 -0.135 0.000 2.159 1416 M HA -0.163 4.315 4.480 -0.003 0.000 0.263 1416 M C 2.168 178.378 176.300 -0.150 0.000 1.063 1416 M CA 1.130 56.332 55.300 -0.162 0.000 1.110 1416 M CB -0.265 32.236 32.600 -0.165 0.000 1.374 1416 M HN 0.120 nan 8.290 nan 0.000 0.411 1417 L N 0.120 121.256 121.223 -0.144 0.000 2.046 1417 L HA -0.142 4.196 4.340 -0.003 0.000 0.208 1417 L C 2.248 179.127 176.870 0.016 0.000 1.077 1417 L CA 1.996 56.744 54.840 -0.153 0.000 0.747 1417 L CB -0.957 41.020 42.059 -0.137 0.000 0.896 1417 L HN 0.195 nan 8.230 nan 0.000 0.432 1418 T N -0.179 114.423 114.554 0.081 0.000 2.746 1418 T HA -0.173 4.176 4.350 -0.003 0.000 0.267 1418 T C 1.667 176.389 174.700 0.037 0.000 1.039 1418 T CA 2.004 64.206 62.100 0.170 0.000 1.142 1418 T CB -0.537 68.393 68.868 0.104 0.000 0.866 1418 T HN 0.530 nan 8.240 nan 0.000 0.444 1419 N N -0.382 118.230 118.700 -0.147 0.000 2.244 1419 N HA -0.093 4.645 4.740 -0.003 0.000 0.183 1419 N C 1.589 176.791 175.510 -0.513 0.000 1.016 1419 N CA 0.919 53.726 53.050 -0.405 0.000 0.866 1419 N CB -0.135 38.034 38.487 -0.530 0.000 0.980 1419 N HN 0.456 nan 8.380 nan 0.000 0.430 1420 W N 1.352 122.366 121.300 -0.478 0.000 2.355 1420 W HA -0.089 4.570 4.660 -0.002 0.000 0.309 1420 W C 1.445 177.806 176.519 -0.262 0.000 1.206 1420 W CA 1.174 58.284 57.345 -0.392 0.000 1.284 1420 W CB -0.427 28.790 29.460 -0.406 0.000 1.145 1420 W HN -0.073 nan 8.180 nan 0.000 0.502 1421 F N 0.645 120.595 119.950 -0.000 0.000 2.161 1421 F HA -0.230 4.295 4.527 -0.004 0.000 0.300 1421 F C 2.553 178.067 175.800 -0.477 0.000 1.089 1421 F CA 2.064 59.882 58.000 -0.303 0.000 1.282 1421 F CB -1.385 37.428 39.000 -0.310 0.000 1.010 1421 F HN -0.235 nan 8.300 nan 0.000 0.485 1422 T N 0.169 114.654 114.554 -0.115 0.000 2.708 1422 T HA -0.187 4.161 4.350 -0.003 0.000 0.266 1422 T C 1.887 176.738 174.700 0.252 0.000 1.037 1422 T CA 1.323 63.451 62.100 0.046 0.000 1.146 1422 T CB -0.518 68.319 68.868 -0.052 0.000 0.865 1422 T HN -0.008 nan 8.240 nan 0.000 0.435 1423 F N 1.177 121.127 119.950 -0.001 0.000 2.095 1423 F HA 0.052 4.578 4.527 -0.002 0.000 0.298 1423 F C 2.080 177.958 175.800 0.130 0.000 1.104 1423 F CA 0.540 58.605 58.000 0.108 0.000 1.232 1423 F CB -1.017 37.994 39.000 0.017 0.000 0.987 1423 F HN 0.149 nan 8.300 nan 0.000 0.475 1424 L N -1.010 120.270 121.223 0.094 0.000 2.567 1424 L HA 0.050 4.388 4.340 -0.003 0.000 0.225 1424 L C 1.510 178.416 176.870 0.061 0.000 1.119 1424 L CA 0.209 55.040 54.840 -0.016 0.000 0.871 1424 L CB -0.167 41.674 42.059 -0.364 0.000 1.036 1424 L HN 0.075 nan 8.230 nan 0.000 0.459 1425 L N -1.335 119.916 121.223 0.047 0.000 2.667 1425 L HA 0.056 4.394 4.340 -0.003 0.000 0.232 1425 L C 2.170 179.169 176.870 0.214 0.000 1.138 1425 L CA -0.027 54.846 54.840 0.056 0.000 0.921 1425 L CB -0.361 41.522 42.059 -0.293 0.000 1.180 1425 L HN 0.307 nan 8.230 nan 0.000 0.487 1426 H N 1.039 120.204 119.070 0.158 0.000 2.387 1426 H HA -0.172 4.381 4.556 -0.004 0.000 0.299 1426 H C 1.838 177.176 175.328 0.016 0.000 1.090 1426 H CA 1.543 57.601 56.048 0.018 0.000 1.332 1426 H CB 0.619 30.439 29.762 0.097 0.000 1.386 1426 H HN 0.119 nan 8.280 nan 0.000 0.516 1427 K N 0.313 120.758 120.400 0.076 0.000 2.103 1427 K HA -0.146 4.172 4.320 -0.003 0.000 0.207 1427 K C 2.071 178.695 176.600 0.039 0.000 1.048 1427 K CA 1.261 57.553 56.287 0.008 0.000 0.930 1427 K CB -0.659 31.903 32.500 0.104 0.000 0.716 1427 K HN 0.251 nan 8.250 nan 0.000 0.444 1428 F N 0.373 120.325 119.950 0.003 0.000 2.186 1428 F HA -0.142 4.383 4.527 -0.004 0.000 0.299 1428 F C 1.513 177.364 175.800 0.086 0.000 1.090 1428 F CA 0.987 59.029 58.000 0.070 0.000 1.307 1428 F CB 0.076 39.164 39.000 0.146 0.000 1.019 1428 F HN -0.068 nan 8.300 nan 0.000 0.489 1429 L N 0.139 121.376 121.223 0.024 0.000 1.994 1429 L HA -0.241 4.097 4.340 -0.003 0.000 0.208 1429 L C 2.599 179.380 176.870 -0.149 0.000 1.071 1429 L CA 1.197 56.023 54.840 -0.024 0.000 0.745 1429 L CB -0.710 41.339 42.059 -0.017 0.000 0.892 1429 L HN -0.038 nan 8.230 nan 0.000 0.431 1430 K N 0.286 120.401 120.400 -0.476 0.000 2.074 1430 K HA -0.205 4.114 4.320 -0.003 0.000 0.209 1430 K C 1.948 178.350 176.600 -0.330 0.000 1.048 1430 K CA 1.708 57.544 56.287 -0.752 0.000 0.926 1430 K CB -0.203 31.869 32.500 -0.714 0.000 0.713 1430 K HN 0.483 nan 8.250 nan 0.000 0.444 1431 E N -1.350 118.735 120.200 -0.192 0.000 2.216 1431 E HA -0.026 4.322 4.350 -0.003 0.000 0.192 1431 E C 1.859 178.425 176.600 -0.058 0.000 0.973 1431 E CA 0.638 56.989 56.400 -0.082 0.000 0.851 1431 E CB 0.303 29.993 29.700 -0.017 0.000 0.804 1431 E HN 0.225 nan 8.360 nan 0.000 0.477 1432 C N -0.730 118.437 119.300 -0.222 0.000 2.726 1432 C HA 0.375 4.833 4.460 -0.003 0.000 0.380 1432 C C 2.403 177.177 174.990 -0.361 0.000 1.691 1432 C CA 0.399 59.232 59.018 -0.307 0.000 2.388 1432 C CB -0.160 27.201 27.740 -0.632 0.000 2.227 1432 C HN 0.418 nan 8.230 nan 0.000 0.647 1433 A N 0.759 123.264 122.820 -0.525 0.000 2.132 1433 A HA 0.343 4.662 4.320 -0.003 0.000 0.213 1433 A C 2.096 179.722 177.584 0.070 0.000 1.154 1433 A CA 1.473 53.349 52.037 -0.268 0.000 0.753 1433 A CB -0.876 17.990 19.000 -0.224 0.000 0.826 1433 A HN 0.571 nan 8.150 nan 0.000 0.469 1434 G N 0.087 109.009 108.800 0.204 0.000 2.418 1434 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.217 1434 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.217 1434 G C 1.403 176.564 174.900 0.436 0.000 1.158 1434 G CA 1.112 46.521 45.100 0.515 0.000 0.771 1434 G HN 0.642 nan 8.290 nan 0.000 0.545 1435 E N 0.871 121.245 120.200 0.289 0.000 2.017 1435 E HA -0.110 4.238 4.350 -0.003 0.000 0.193 1435 E C 0.172 176.886 176.600 0.190 0.000 0.997 1435 E CA 1.395 57.918 56.400 0.206 0.000 0.804 1435 E CB -0.279 29.528 29.700 0.179 0.000 0.757 1435 E HN 0.350 nan 8.360 nan 0.000 0.448 1436 P HA -0.169 nan 4.420 nan 0.000 0.218 1436 P C 1.767 179.159 177.300 0.154 0.000 1.149 1436 P CA 0.988 64.176 63.100 0.147 0.000 0.817 1436 P CB -0.092 31.661 31.700 0.088 0.000 0.785 1437 L N -1.403 119.934 121.223 0.190 0.000 2.017 1437 L HA -0.158 4.180 4.340 -0.003 0.000 0.208 1437 L C 2.545 179.537 176.870 0.203 0.000 1.073 1437 L CA 1.786 56.766 54.840 0.234 0.000 0.745 1437 L CB -0.798 41.482 42.059 0.369 0.000 0.894 1437 L HN -0.107 nan 8.230 nan 0.000 0.432 1438 F N 0.389 120.295 119.950 -0.074 0.000 2.171 1438 F HA -0.209 4.317 4.527 -0.002 0.000 0.300 1438 F C 2.152 177.857 175.800 -0.159 0.000 1.090 1438 F CA 1.409 59.145 58.000 -0.440 0.000 1.293 1438 F CB -0.164 38.250 39.000 -0.978 0.000 1.013 1438 F HN -0.032 nan 8.300 nan 0.000 0.486 1439 L N -0.563 120.588 121.223 -0.121 0.000 2.109 1439 L HA -0.159 4.179 4.340 -0.003 0.000 0.207 1439 L C 2.371 179.062 176.870 -0.299 0.000 1.086 1439 L CA 0.670 55.401 54.840 -0.182 0.000 0.760 1439 L CB -0.776 41.360 42.059 0.128 0.000 0.910 1439 L HN 0.265 nan 8.230 nan 0.000 0.437 1440 L N -0.631 120.521 121.223 -0.119 0.000 2.056 1440 L HA -0.252 4.087 4.340 -0.003 0.000 0.207 1440 L C 2.510 179.241 176.870 -0.233 0.000 1.078 1440 L CA 1.740 56.491 54.840 -0.149 0.000 0.749 1440 L CB -0.792 41.282 42.059 0.024 0.000 0.901 1440 L HN 0.210 nan 8.230 nan 0.000 0.433 1441 Y N -0.297 119.826 120.300 -0.296 0.000 2.097 1441 Y HA -0.322 4.226 4.550 -0.003 0.000 0.282 1441 Y C 2.600 178.249 175.900 -0.418 0.000 1.152 1441 Y CA 2.069 59.981 58.100 -0.313 0.000 1.136 1441 Y CB -0.991 37.294 38.460 -0.291 0.000 0.975 1441 Y HN 0.291 nan 8.280 nan 0.000 0.498 1442 C N 0.741 119.590 119.300 -0.752 0.000 2.429 1442 C HA -0.118 4.340 4.460 -0.003 0.000 0.277 1442 C C 3.088 177.688 174.990 -0.650 0.000 1.262 1442 C CA 1.144 59.691 59.018 -0.785 0.000 1.733 1442 C CB -1.879 25.436 27.740 -0.708 0.000 2.010 1442 C HN 0.768 nan 8.230 nan 0.000 0.483 1443 A N 0.500 122.893 122.820 -0.713 0.000 1.877 1443 A HA -0.108 4.211 4.320 -0.003 0.000 0.216 1443 A C 2.034 179.330 177.584 -0.479 0.000 1.186 1443 A CA 1.587 53.167 52.037 -0.761 0.000 0.620 1443 A CB -0.596 17.530 19.000 -1.457 0.000 0.822 1443 A HN 0.569 nan 8.150 nan 0.000 0.443 1444 I N -0.353 119.966 120.570 -0.418 0.000 2.127 1444 I HA -0.305 3.863 4.170 -0.003 0.000 0.241 1444 I C 2.598 178.537 176.117 -0.296 0.000 1.075 1444 I CA 2.030 63.163 61.300 -0.277 0.000 1.334 1444 I CB -0.278 37.595 38.000 -0.210 0.000 1.040 1444 I HN 0.424 nan 8.210 nan 0.000 0.405 1445 K N 0.705 120.837 120.400 -0.447 0.000 2.032 1445 K HA -0.318 4.000 4.320 -0.003 0.000 0.209 1445 K C 2.236 178.666 176.600 -0.283 0.000 1.048 1445 K CA 2.086 58.126 56.287 -0.411 0.000 0.927 1445 K CB -0.131 31.975 32.500 -0.656 0.000 0.712 1445 K HN 0.141 nan 8.250 nan 0.000 0.441 1446 Q N 0.617 120.231 119.800 -0.310 0.000 2.050 1446 Q HA -0.225 4.113 4.340 -0.003 0.000 0.202 1446 Q C 2.124 178.015 176.000 -0.181 0.000 0.980 1446 Q CA 1.991 57.658 55.803 -0.226 0.000 0.840 1446 Q CB -0.198 28.394 28.738 -0.244 0.000 0.898 1446 Q HN 0.327 nan 8.270 nan 0.000 0.424 1447 Q N -0.826 118.854 119.800 -0.201 0.000 2.096 1447 Q HA -0.136 4.203 4.340 -0.003 0.000 0.204 1447 Q C 1.714 177.640 176.000 -0.123 0.000 0.982 1447 Q CA 1.825 57.514 55.803 -0.190 0.000 0.850 1447 Q CB -0.152 28.483 28.738 -0.171 0.000 0.901 1447 Q HN 0.382 nan 8.270 nan 0.000 0.422 1448 M N 0.118 119.675 119.600 -0.071 0.000 2.117 1448 M HA -0.119 4.359 4.480 -0.003 0.000 0.262 1448 M C 1.578 177.896 176.300 0.031 0.000 1.065 1448 M CA 1.564 56.873 55.300 0.016 0.000 1.114 1448 M CB -0.902 31.683 32.600 -0.024 0.000 1.361 1448 M HN 0.307 nan 8.290 nan 0.000 0.408 1449 E N -0.456 119.725 120.200 -0.030 0.000 2.516 1449 E HA -0.136 4.212 4.350 -0.003 0.000 0.199 1449 E C 1.612 178.215 176.600 0.004 0.000 1.069 1449 E CA 0.311 56.697 56.400 -0.023 0.000 0.876 1449 E CB 0.004 29.675 29.700 -0.048 0.000 0.843 1449 E HN 0.258 nan 8.360 nan 0.000 0.530 1450 K N 0.228 120.642 120.400 0.023 0.000 2.365 1450 K HA 0.011 4.329 4.320 -0.003 0.000 0.199 1450 K C 0.542 177.291 176.600 0.249 0.000 1.045 1450 K CA 0.502 56.826 56.287 0.061 0.000 0.962 1450 K CB 0.471 32.893 32.500 -0.131 0.000 0.759 1450 K HN 0.135 nan 8.250 nan 0.000 0.469 1451 G N -0.558 108.385 108.800 0.238 0.000 2.798 1451 G HA2 0.438 4.396 3.960 -0.003 0.000 0.286 1451 G HA3 0.438 4.396 3.960 -0.003 0.000 0.286 1451 G C -2.942 171.781 174.900 -0.295 0.000 1.389 1451 G CA -1.631 43.431 45.100 -0.063 0.000 0.894 1451 G HN -0.261 nan 8.290 nan 0.000 0.488 1452 P HA 0.249 nan 4.420 nan 0.000 0.265 1452 P C -0.599 176.577 177.300 -0.207 0.000 1.193 1452 P CA 0.380 63.243 63.100 -0.395 0.000 0.765 1452 P CB 0.573 32.007 31.700 -0.444 0.000 0.823 1453 I N 2.213 122.710 120.570 -0.122 0.000 2.447 1453 I HA 0.219 4.388 4.170 -0.003 0.000 0.287 1453 I C 0.173 176.295 176.117 0.007 0.000 1.023 1453 I CA -0.706 60.567 61.300 -0.045 0.000 1.083 1453 I CB 1.840 39.839 38.000 -0.002 0.000 1.245 1453 I HN 0.206 nan 8.210 nan 0.000 0.434 1454 D N 5.352 125.755 120.400 0.005 0.000 2.343 1454 D HA 0.194 4.832 4.640 -0.003 0.000 0.255 1454 D C 0.863 177.290 176.300 0.212 0.000 1.187 1454 D CA 0.046 54.103 54.000 0.094 0.000 0.875 1454 D CB 1.947 42.765 40.800 0.031 0.000 1.136 1454 D HN 0.724 nan 8.370 nan 0.000 0.469 1455 A N 4.707 127.772 122.820 0.408 0.000 2.121 1455 A HA -0.102 4.216 4.320 -0.003 0.000 0.218 1455 A C 1.760 179.390 177.584 0.078 0.000 1.154 1455 A CA 0.720 52.825 52.037 0.114 0.000 0.679 1455 A CB -0.056 18.867 19.000 -0.129 0.000 0.795 1455 A HN 0.654 nan 8.150 nan 0.000 0.458 1456 I N -0.874 119.771 120.570 0.124 0.000 2.947 1456 I HA -0.050 4.118 4.170 -0.003 0.000 0.263 1456 I C 2.516 178.688 176.117 0.092 0.000 1.130 1456 I CA 2.023 63.385 61.300 0.104 0.000 1.448 1456 I CB -1.561 36.529 38.000 0.149 0.000 1.222 1456 I HN 0.456 nan 8.210 nan 0.000 0.453 1457 T N -1.752 112.860 114.554 0.096 0.000 3.057 1457 T HA 0.213 4.561 4.350 -0.003 0.000 0.254 1457 T C 1.623 176.350 174.700 0.046 0.000 1.094 1457 T CA 0.786 62.927 62.100 0.069 0.000 1.088 1457 T CB 0.183 69.089 68.868 0.064 0.000 0.934 1457 T HN 0.477 nan 8.240 nan 0.000 0.497 1458 G N 1.226 110.055 108.800 0.049 0.000 2.148 1458 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.254 1458 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.254 1458 G C -0.214 174.695 174.900 0.015 0.000 0.981 1458 G CA 0.262 45.381 45.100 0.033 0.000 0.670 1458 G HN 0.679 nan 8.290 nan 0.000 0.528 1459 E N -0.013 120.191 120.200 0.007 0.000 2.349 1459 E HA 0.653 5.001 4.350 -0.003 0.000 0.262 1459 E C 0.404 176.984 176.600 -0.033 0.000 1.088 1459 E CA 0.273 56.663 56.400 -0.018 0.000 0.899 1459 E CB 1.242 30.924 29.700 -0.030 0.000 1.044 1459 E HN 0.894 nan 8.360 nan 0.000 0.420 1460 A N 1.478 124.270 122.820 -0.047 0.000 2.549 1460 A HA 0.345 4.663 4.320 -0.003 0.000 0.297 1460 A C 0.382 177.908 177.584 -0.097 0.000 1.061 1460 A CA -0.698 51.302 52.037 -0.062 0.000 0.690 1460 A CB 1.584 20.571 19.000 -0.021 0.000 1.287 1460 A HN 0.689 nan 8.150 nan 0.000 0.402 1461 R N 0.749 121.142 120.500 -0.179 0.000 2.096 1461 R HA -0.157 4.181 4.340 -0.003 0.000 0.240 1461 R C 0.104 176.213 176.300 -0.319 0.000 1.139 1461 R CA 2.580 58.492 56.100 -0.313 0.000 0.952 1461 R CB -0.482 29.491 30.300 -0.545 0.000 0.854 1461 R HN 0.744 nan 8.270 nan 0.000 0.436 1462 Y N 0.392 120.684 120.300 -0.014 0.000 2.625 1462 Y HA 0.358 4.906 4.550 -0.003 0.000 0.285 1462 Y C 0.311 176.213 175.900 0.003 0.000 1.168 1462 Y CA -0.185 57.918 58.100 0.005 0.000 1.250 1462 Y CB -0.064 38.394 38.460 -0.004 0.000 1.130 1462 Y HN 0.020 nan 8.280 nan 0.000 0.526 1463 S N 0.760 116.516 115.700 0.092 0.000 2.558 1463 S HA -0.067 4.401 4.470 -0.003 0.000 0.293 1463 S C 1.211 175.860 174.600 0.082 0.000 1.292 1463 S CA -0.306 57.932 58.200 0.064 0.000 1.063 1463 S CB 0.415 63.629 63.200 0.023 0.000 0.831 1463 S HN 0.530 nan 8.310 nan 0.000 0.499 1464 L N 5.218 126.488 121.223 0.080 0.000 2.418 1464 L HA 0.306 4.644 4.340 -0.003 0.000 0.218 1464 L C 1.057 177.984 176.870 0.095 0.000 1.125 1464 L CA 0.921 55.819 54.840 0.097 0.000 0.835 1464 L CB -0.194 41.930 42.059 0.109 0.000 0.953 1464 L HN 0.631 nan 8.230 nan 0.000 0.454 1465 S N -0.587 115.154 115.700 0.068 0.000 2.438 1465 S HA 0.098 4.566 4.470 -0.003 0.000 0.293 1465 S C 1.139 175.762 174.600 0.039 0.000 1.141 1465 S CA -0.459 57.776 58.200 0.059 0.000 1.080 1465 S CB 0.692 63.917 63.200 0.043 0.000 0.978 1465 S HN 0.450 nan 8.310 nan 0.000 0.479 1466 E N 3.167 123.393 120.200 0.042 0.000 2.118 1466 E HA -0.212 4.136 4.350 -0.003 0.000 0.195 1466 E C 0.514 177.109 176.600 -0.008 0.000 0.992 1466 E CA 1.624 58.036 56.400 0.020 0.000 0.804 1466 E CB 0.005 29.725 29.700 0.033 0.000 0.741 1466 E HN 0.753 nan 8.360 nan 0.000 0.458 1467 D N 0.021 120.424 120.400 0.004 0.000 2.219 1467 D HA -0.093 4.545 4.640 -0.003 0.000 0.205 1467 D C 1.026 177.316 176.300 -0.017 0.000 0.970 1467 D CA 0.870 54.867 54.000 -0.006 0.000 0.851 1467 D CB 0.155 40.960 40.800 0.008 0.000 0.943 1467 D HN 0.050 nan 8.370 nan 0.000 0.488 1468 K N 0.225 120.617 120.400 -0.013 0.000 2.440 1468 K HA 0.208 4.526 4.320 -0.003 0.000 0.206 1468 K C 0.428 177.005 176.600 -0.038 0.000 1.025 1468 K CA -0.350 55.926 56.287 -0.019 0.000 1.135 1468 K CB 0.625 33.123 32.500 -0.003 0.000 0.856 1468 K HN 0.171 nan 8.250 nan 0.000 0.502 1469 L N 2.311 123.498 121.223 -0.060 0.000 2.361 1469 L HA 0.233 4.571 4.340 -0.003 0.000 0.278 1469 L C 0.088 176.864 176.870 -0.156 0.000 1.113 1469 L CA -0.256 54.529 54.840 -0.092 0.000 0.849 1469 L CB 0.352 42.349 42.059 -0.104 0.000 1.155 1469 L HN 0.054 nan 8.230 nan 0.000 0.452 1470 I N 5.220 125.711 120.570 -0.132 0.000 2.741 1470 I HA -0.127 4.041 4.170 -0.003 0.000 0.288 1470 I C 0.810 176.788 176.117 -0.232 0.000 1.192 1470 I CA 0.395 61.611 61.300 -0.141 0.000 1.426 1470 I CB 0.388 38.325 38.000 -0.105 0.000 1.367 1470 I HN 0.603 nan 8.210 nan 0.000 0.563 1471 R N 4.601 124.939 120.500 -0.269 0.000 2.552 1471 R HA 0.230 4.568 4.340 -0.003 0.000 0.314 1471 R C -0.630 175.632 176.300 -0.064 0.000 1.041 1471 R CA 0.082 55.918 56.100 -0.439 0.000 1.076 1471 R CB 0.231 30.265 30.300 -0.443 0.000 1.290 1471 R HN 0.601 nan 8.270 nan 0.000 0.563 1472 Q N -0.836 118.969 119.800 0.008 0.000 2.484 1472 Q HA 0.301 4.639 4.340 -0.003 0.000 0.285 1472 Q C -1.164 174.880 176.000 0.073 0.000 1.097 1472 Q CA -1.303 54.532 55.803 0.054 0.000 0.802 1472 Q CB 1.776 30.518 28.738 0.008 0.000 1.444 1472 Q HN -0.179 nan 8.270 nan 0.000 0.429 1473 Q N 1.865 121.704 119.800 0.064 0.000 2.281 1473 Q HA 0.203 4.541 4.340 -0.003 0.000 0.267 1473 Q C -1.337 174.694 176.000 0.052 0.000 1.053 1473 Q CA 0.489 56.326 55.803 0.057 0.000 0.905 1473 Q CB 0.343 29.104 28.738 0.039 0.000 1.195 1473 Q HN 0.397 nan 8.270 nan 0.000 0.398 1474 I N 4.484 125.096 120.570 0.071 0.000 2.466 1474 I HA 0.271 4.439 4.170 -0.003 0.000 0.279 1474 I C -0.649 175.582 176.117 0.190 0.000 1.033 1474 I CA -0.709 60.646 61.300 0.093 0.000 1.123 1474 I CB 1.245 39.269 38.000 0.040 0.000 1.237 1474 I HN 0.600 nan 8.210 nan 0.000 0.460 1475 D N 7.145 127.621 120.400 0.127 0.000 2.350 1475 D HA 0.445 5.083 4.640 -0.003 0.000 0.249 1475 D C -0.508 175.900 176.300 0.179 0.000 1.119 1475 D CA 0.621 54.674 54.000 0.088 0.000 0.886 1475 D CB 1.386 42.200 40.800 0.022 0.000 1.195 1475 D HN 0.499 nan 8.370 nan 0.000 0.437 1476 Y N -2.660 117.633 120.300 -0.010 0.000 2.689 1476 Y HA 0.617 5.165 4.550 -0.003 0.000 0.333 1476 Y C -0.981 174.918 175.900 -0.001 0.000 1.208 1476 Y CA -1.314 56.781 58.100 -0.009 0.000 1.055 1476 Y CB 0.570 39.021 38.460 -0.015 0.000 1.304 1476 Y HN 0.259 nan 8.280 nan 0.000 0.455 1477 K N 0.145 120.601 120.400 0.093 0.000 2.426 1477 K HA 0.750 5.068 4.320 -0.003 0.000 0.251 1477 K C -1.039 175.625 176.600 0.106 0.000 0.941 1477 K CA -0.804 55.487 56.287 0.007 0.000 0.808 1477 K CB 1.483 33.977 32.500 -0.010 0.000 1.265 1477 K HN 0.770 nan 8.250 nan 0.000 0.432 1478 T N 3.038 117.632 114.554 0.067 0.000 2.729 1478 T HA 0.479 4.827 4.350 -0.003 0.000 0.296 1478 T C -0.383 174.331 174.700 0.024 0.000 0.928 1478 T CA -0.259 61.885 62.100 0.073 0.000 1.045 1478 T CB -0.089 68.818 68.868 0.065 0.000 0.902 1478 T HN 0.367 nan 8.240 nan 0.000 0.500 1479 L N 3.269 124.497 121.223 0.008 0.000 2.334 1479 L HA 0.521 4.859 4.340 -0.003 0.000 0.272 1479 L C 0.733 177.568 176.870 -0.058 0.000 1.020 1479 L CA -0.306 54.518 54.840 -0.027 0.000 0.812 1479 L CB 1.642 43.675 42.059 -0.043 0.000 1.264 1479 L HN 0.539 nan 8.230 nan 0.000 0.439 1480 T N 3.612 118.113 114.554 -0.088 0.000 2.770 1480 T HA 0.644 4.992 4.350 -0.003 0.000 0.283 1480 T C -0.188 174.351 174.700 -0.269 0.000 0.988 1480 T CA -0.349 61.648 62.100 -0.172 0.000 0.957 1480 T CB 0.488 69.249 68.868 -0.179 0.000 0.930 1480 T HN 0.235 nan 8.240 nan 0.000 0.443 1481 L N 3.748 124.804 121.223 -0.279 0.000 2.325 1481 L HA 0.501 4.839 4.340 -0.003 0.000 0.278 1481 L C 0.129 176.780 176.870 -0.365 0.000 1.023 1481 L CA -1.081 53.606 54.840 -0.256 0.000 0.811 1481 L CB 1.132 43.103 42.059 -0.146 0.000 1.249 1481 L HN 0.559 nan 8.230 nan 0.000 0.431 1482 H N 1.409 120.477 119.070 -0.002 0.000 2.581 1482 H HA 0.176 4.730 4.556 -0.003 0.000 0.308 1482 H C -0.841 174.491 175.328 0.006 0.000 1.040 1482 H CA -0.429 55.621 56.048 0.004 0.000 1.231 1482 H CB 1.797 31.567 29.762 0.014 0.000 1.396 1482 H HN 0.505 nan 8.280 nan 0.000 0.467 1483 C N 4.933 124.277 119.300 0.074 0.000 2.307 1483 C HA 0.255 4.713 4.460 -0.003 0.000 0.340 1483 C C 0.632 175.643 174.990 0.034 0.000 1.275 1483 C CA -0.556 58.486 59.018 0.040 0.000 1.811 1483 C CB -0.368 27.375 27.740 0.005 0.000 2.372 1483 C HN 0.620 nan 8.230 nan 0.000 0.531 1484 V N 7.245 127.179 119.914 0.033 0.000 2.458 1484 V HA 0.017 4.135 4.120 -0.003 0.000 0.287 1484 V C 0.856 176.943 176.094 -0.011 0.000 1.009 1484 V CA 0.094 62.404 62.300 0.017 0.000 1.091 1484 V CB -0.514 31.323 31.823 0.023 0.000 0.960 1484 V HN 1.046 nan 8.190 nan 0.000 0.476 1485 C N 8.436 127.720 119.300 -0.027 0.000 2.653 1485 C HA 0.153 4.611 4.460 -0.003 0.000 0.421 1485 C C -0.696 174.261 174.990 -0.055 0.000 1.334 1485 C CA -0.689 58.290 59.018 -0.065 0.000 1.885 1485 C CB 0.064 27.767 27.740 -0.062 0.000 2.645 1485 C HN 0.727 nan 8.230 nan 0.000 0.601 1486 P HA 0.131 nan 4.420 nan 0.000 0.279 1486 P C 0.744 178.029 177.300 -0.025 0.000 1.451 1486 P CA 1.135 64.213 63.100 -0.038 0.000 0.783 1486 P CB -0.041 31.636 31.700 -0.038 0.000 1.490 1487 E N -0.558 119.624 120.200 -0.030 0.000 2.645 1487 E HA 0.278 4.626 4.350 -0.003 0.000 0.198 1487 E C 2.196 178.790 176.600 -0.009 0.000 1.091 1487 E CA 0.658 57.048 56.400 -0.018 0.000 1.096 1487 E CB -1.153 28.532 29.700 -0.025 0.000 2.013 1487 E HN 0.133 nan 8.360 nan 0.000 0.537 1488 S N -0.113 115.580 115.700 -0.011 0.000 2.481 1488 S HA 0.388 4.856 4.470 -0.003 0.000 0.231 1488 S C 1.401 175.999 174.600 -0.003 0.000 0.996 1488 S CA 2.431 60.627 58.200 -0.006 0.000 0.942 1488 S CB -0.665 62.531 63.200 -0.007 0.000 0.768 1488 S HN 1.763 nan 8.310 nan 0.000 0.520 1493 Q N 0.005 119.806 119.800 0.003 0.000 2.472 1493 Q HA 0.757 5.095 4.340 -0.003 0.000 0.281 1493 Q C -1.217 174.804 176.000 0.036 0.000 0.997 1493 Q CA -0.901 54.914 55.803 0.021 0.000 0.828 1493 Q CB 1.975 30.736 28.738 0.038 0.000 1.443 1493 Q HN 1.954 nan 8.270 nan 0.000 0.390 1494 V N -2.377 117.563 119.914 0.044 0.000 2.914 1494 V HA 0.794 4.912 4.120 -0.003 0.000 0.314 1494 V C -2.929 173.202 176.094 0.061 0.000 1.084 1494 V CA -2.626 59.701 62.300 0.045 0.000 0.963 1494 V CB 1.640 33.462 31.823 -0.000 0.000 1.025 1494 V HN 0.735 nan 8.190 nan 0.000 0.432 1495 P HA 0.582 nan 4.420 nan 0.000 0.290 1495 P C -1.053 176.199 177.300 -0.080 0.000 1.276 1495 P CA -0.394 62.672 63.100 -0.055 0.000 0.808 1495 P CB 1.524 33.219 31.700 -0.009 0.000 0.966 1496 V N 3.722 123.559 119.914 -0.130 0.000 2.577 1496 V HA 0.303 4.422 4.120 -0.003 0.000 0.303 1496 V C 0.112 176.149 176.094 -0.096 0.000 1.042 1496 V CA -0.817 61.432 62.300 -0.085 0.000 0.872 1496 V CB 1.968 33.755 31.823 -0.059 0.000 0.998 1496 V HN 0.391 nan 8.190 nan 0.000 0.423 1497 K N 3.547 123.908 120.400 -0.065 0.000 2.297 1497 K HA 0.636 4.954 4.320 -0.003 0.000 0.286 1497 K C -0.367 176.212 176.600 -0.036 0.000 1.053 1497 K CA -0.167 56.089 56.287 -0.051 0.000 0.940 1497 K CB 1.568 34.048 32.500 -0.033 0.000 1.019 1497 K HN 0.650 nan 8.250 nan 0.000 0.475 1498 V N 0.429 120.325 119.914 -0.031 0.000 3.167 1498 V HA 0.580 4.698 4.120 -0.003 0.000 0.310 1498 V C -0.823 175.278 176.094 0.011 0.000 1.207 1498 V CA -1.326 60.964 62.300 -0.017 0.000 1.059 1498 V CB 1.494 33.296 31.823 -0.034 0.000 1.079 1498 V HN 0.538 nan 8.190 nan 0.000 0.446 1499 L N 1.782 123.019 121.223 0.023 0.000 2.331 1499 L HA 0.532 4.870 4.340 -0.003 0.000 0.275 1499 L C 1.347 178.246 176.870 0.049 0.000 1.022 1499 L CA -0.806 54.072 54.840 0.064 0.000 0.812 1499 L CB 1.850 43.940 42.059 0.051 0.000 1.257 1499 L HN 0.943 nan 8.230 nan 0.000 0.435 1500 N N 1.099 119.842 118.700 0.072 0.000 2.289 1500 N HA -0.169 4.569 4.740 -0.003 0.000 0.184 1500 N C 1.469 177.014 175.510 0.058 0.000 1.016 1500 N CA 1.672 54.751 53.050 0.048 0.000 0.872 1500 N CB -0.708 37.809 38.487 0.050 0.000 0.973 1500 N HN 0.836 nan 8.380 nan 0.000 0.433 1501 C N -1.396 117.944 119.300 0.066 0.000 2.539 1501 C HA 0.207 4.665 4.460 -0.003 0.000 0.268 1501 C C 0.245 175.297 174.990 0.104 0.000 1.395 1501 C CA -1.252 57.791 59.018 0.041 0.000 1.757 1501 C CB -1.098 26.626 27.740 -0.028 0.000 1.851 1501 C HN 0.046 nan 8.230 nan 0.000 0.545 1502 D N 3.372 123.822 120.400 0.084 0.000 2.493 1502 D HA 0.183 4.821 4.640 -0.003 0.000 0.240 1502 D C 0.811 177.171 176.300 0.101 0.000 1.142 1502 D CA 0.922 54.988 54.000 0.110 0.000 0.872 1502 D CB 1.080 41.903 40.800 0.038 0.000 1.173 1502 D HN 0.718 nan 8.370 nan 0.000 0.467 1503 S N 2.238 117.943 115.700 0.009 0.000 2.580 1503 S HA 0.014 4.482 4.470 -0.003 0.000 0.266 1503 S C 1.667 176.218 174.600 -0.081 0.000 1.354 1503 S CA -0.764 57.313 58.200 -0.205 0.000 1.008 1503 S CB 0.777 63.666 63.200 -0.519 0.000 0.898 1503 S HN 0.308 nan 8.310 nan 0.000 0.555 1504 I N 1.570 122.105 120.570 -0.058 0.000 2.286 1504 I HA -0.126 4.042 4.170 -0.003 0.000 0.248 1504 I C 2.545 178.643 176.117 -0.032 0.000 1.115 1504 I CA 1.375 62.666 61.300 -0.015 0.000 1.392 1504 I CB -2.458 35.557 38.000 0.026 0.000 1.065 1504 I HN 0.741 nan 8.210 nan 0.000 0.418 1505 T N 0.689 115.212 114.554 -0.052 0.000 2.746 1505 T HA -0.201 4.147 4.350 -0.003 0.000 0.267 1505 T C 1.917 176.601 174.700 -0.027 0.000 1.039 1505 T CA 1.286 63.362 62.100 -0.039 0.000 1.142 1505 T CB -0.190 68.649 68.868 -0.049 0.000 0.866 1505 T HN 0.407 nan 8.240 nan 0.000 0.444 1506 Q N 0.560 120.339 119.800 -0.035 0.000 2.084 1506 Q HA -0.036 4.302 4.340 -0.003 0.000 0.202 1506 Q C 2.721 178.719 176.000 -0.004 0.000 0.978 1506 Q CA 1.401 57.198 55.803 -0.010 0.000 0.844 1506 Q CB -0.323 28.416 28.738 0.001 0.000 0.898 1506 Q HN 0.557 nan 8.270 nan 0.000 0.426 1507 A N 1.563 124.376 122.820 -0.012 0.000 1.877 1507 A HA -0.218 4.100 4.320 -0.003 0.000 0.216 1507 A C 1.935 179.514 177.584 -0.008 0.000 1.186 1507 A CA 1.490 53.518 52.037 -0.015 0.000 0.620 1507 A CB -0.319 18.665 19.000 -0.027 0.000 0.822 1507 A HN 0.172 nan 8.150 nan 0.000 0.443 1508 K N -0.498 119.898 120.400 -0.006 0.000 2.063 1508 K HA -0.158 4.160 4.320 -0.003 0.000 0.208 1508 K C 1.531 178.146 176.600 0.026 0.000 1.048 1508 K CA 1.464 57.755 56.287 0.007 0.000 0.928 1508 K CB -0.271 32.230 32.500 0.002 0.000 0.713 1508 K HN 0.410 nan 8.250 nan 0.000 0.442 1509 D N 0.807 121.220 120.400 0.022 0.000 2.144 1509 D HA -0.105 4.533 4.640 -0.003 0.000 0.200 1509 D C 1.736 178.067 176.300 0.052 0.000 0.978 1509 D CA 1.128 55.153 54.000 0.042 0.000 0.833 1509 D CB 0.107 40.926 40.800 0.032 0.000 0.961 1509 D HN 0.170 nan 8.370 nan 0.000 0.470 1510 K N 0.221 120.639 120.400 0.030 0.000 2.057 1510 K HA -0.048 4.270 4.320 -0.003 0.000 0.206 1510 K C 2.341 178.959 176.600 0.030 0.000 1.050 1510 K CA 0.507 56.807 56.287 0.022 0.000 0.935 1510 K CB -0.059 32.442 32.500 0.001 0.000 0.715 1510 K HN 0.132 nan 8.250 nan 0.000 0.439 1511 L N 0.881 122.121 121.223 0.029 0.000 2.017 1511 L HA -0.211 4.128 4.340 -0.003 0.000 0.208 1511 L C 2.372 179.291 176.870 0.082 0.000 1.073 1511 L CA 1.141 56.002 54.840 0.034 0.000 0.745 1511 L CB -0.512 41.562 42.059 0.025 0.000 0.894 1511 L HN 0.161 nan 8.230 nan 0.000 0.432 1512 L N -0.405 120.893 121.223 0.125 0.000 2.012 1512 L HA -0.275 4.064 4.340 -0.003 0.000 0.210 1512 L C 2.321 179.334 176.870 0.239 0.000 1.073 1512 L CA 1.267 56.248 54.840 0.234 0.000 0.748 1512 L CB -0.677 41.476 42.059 0.157 0.000 0.891 1512 L HN 0.291 nan 8.230 nan 0.000 0.431 1513 D N -0.809 119.685 120.400 0.157 0.000 2.149 1513 D HA -0.160 4.478 4.640 -0.003 0.000 0.198 1513 D C 2.157 178.528 176.300 0.118 0.000 0.990 1513 D CA 1.720 55.807 54.000 0.145 0.000 0.839 1513 D CB -0.130 40.729 40.800 0.098 0.000 0.948 1513 D HN 0.293 nan 8.370 nan 0.000 0.460 1514 T N -0.061 114.539 114.554 0.077 0.000 2.814 1514 T HA -0.022 4.327 4.350 -0.003 0.000 0.254 1514 T C 2.230 176.939 174.700 0.016 0.000 1.037 1514 T CA 0.447 62.570 62.100 0.038 0.000 1.143 1514 T CB -0.226 68.647 68.868 0.008 0.000 0.866 1514 T HN -0.067 nan 8.240 nan 0.000 0.431 1515 V N 0.309 120.216 119.914 -0.011 0.000 2.568 1515 V HA -0.127 3.991 4.120 -0.003 0.000 0.253 1515 V C 1.178 177.093 176.094 -0.299 0.000 1.072 1515 V CA 1.524 63.727 62.300 -0.162 0.000 1.084 1515 V CB -0.667 31.024 31.823 -0.220 0.000 0.676 1515 V HN 0.573 nan 8.190 nan 0.000 0.469 1516 Y N -0.260 120.057 120.300 0.028 0.000 2.720 1516 Y HA 0.205 4.753 4.550 -0.004 0.000 0.268 1516 Y C 1.836 177.764 175.900 0.046 0.000 1.142 1516 Y CA -0.528 57.590 58.100 0.032 0.000 1.193 1516 Y CB -0.241 38.234 38.460 0.026 0.000 1.176 1516 Y HN 0.275 nan 8.280 nan 0.000 0.542 1517 K N -0.645 119.834 120.400 0.132 0.000 2.160 1517 K HA -0.145 4.173 4.320 -0.003 0.000 0.206 1517 K C 2.015 178.684 176.600 0.114 0.000 1.047 1517 K CA 1.889 58.246 56.287 0.116 0.000 0.930 1517 K CB -0.518 32.023 32.500 0.069 0.000 0.720 1517 K HN 0.355 nan 8.250 nan 0.000 0.450 1518 G N 1.380 110.241 108.800 0.101 0.000 2.430 1518 G HA2 0.054 4.012 3.960 -0.003 0.000 0.216 1518 G HA3 0.054 4.012 3.960 -0.003 0.000 0.216 1518 G C 0.710 175.670 174.900 0.101 0.000 1.146 1518 G CA 0.163 45.315 45.100 0.087 0.000 0.793 1518 G HN 0.203 nan 8.290 nan 0.000 0.537 1519 I N 2.056 122.709 120.570 0.138 0.000 2.474 1519 I HA 0.188 4.356 4.170 -0.003 0.000 0.287 1519 I C -2.061 174.125 176.117 0.115 0.000 1.048 1519 I CA -2.014 59.361 61.300 0.124 0.000 1.383 1519 I CB 1.537 39.629 38.000 0.153 0.000 1.412 1519 I HN -0.062 nan 8.210 nan 0.000 0.531 1520 P HA -0.086 nan 4.420 nan 0.000 0.267 1520 P C 0.232 177.607 177.300 0.125 0.000 1.200 1520 P CA 0.114 63.282 63.100 0.115 0.000 0.772 1520 P CB 0.441 32.197 31.700 0.095 0.000 0.855 1521 Y N 2.986 123.325 120.300 0.065 0.000 2.081 1521 Y HA -0.305 4.243 4.550 -0.003 0.000 0.280 1521 Y C 2.346 178.257 175.900 0.017 0.000 1.163 1521 Y CA 2.743 60.876 58.100 0.054 0.000 1.135 1521 Y CB -0.954 37.564 38.460 0.097 0.000 0.970 1521 Y HN 0.400 nan 8.280 nan 0.000 0.498 1522 S N -0.486 115.208 115.700 -0.010 0.000 2.500 1522 S HA -0.214 4.254 4.470 -0.003 0.000 0.239 1522 S C 1.515 176.015 174.600 -0.165 0.000 0.989 1522 S CA 1.401 59.532 58.200 -0.115 0.000 0.951 1522 S CB -0.496 62.739 63.200 0.057 0.000 0.759 1522 S HN 0.744 nan 8.310 nan 0.000 0.523 1523 Q N 0.227 119.944 119.800 -0.139 0.000 2.392 1523 Q HA 0.211 4.549 4.340 -0.003 0.000 0.203 1523 Q C 0.339 176.205 176.000 -0.224 0.000 0.917 1523 Q CA 0.038 55.767 55.803 -0.124 0.000 0.939 1523 Q CB 0.318 29.029 28.738 -0.045 0.000 1.063 1523 Q HN 0.590 nan 8.270 nan 0.000 0.516 1524 R N 1.271 121.557 120.500 -0.356 0.000 2.528 1524 R HA 0.300 4.638 4.340 -0.003 0.000 0.271 1524 R C -2.366 173.645 176.300 -0.481 0.000 1.056 1524 R CA -1.817 53.951 56.100 -0.554 0.000 1.117 1524 R CB -0.223 29.728 30.300 -0.581 0.000 1.085 1524 R HN -0.096 nan 8.270 nan 0.000 0.530 1525 P HA 0.036 nan 4.420 nan 0.000 0.272 1525 P C -0.921 176.227 177.300 -0.254 0.000 1.230 1525 P CA -0.121 62.805 63.100 -0.291 0.000 0.788 1525 P CB 0.546 32.117 31.700 -0.214 0.000 0.949 1526 K N 1.127 121.425 120.400 -0.169 0.000 2.174 1526 K HA 0.341 4.659 4.320 -0.003 0.000 0.275 1526 K C 1.205 177.762 176.600 -0.072 0.000 1.015 1526 K CA -0.388 55.824 56.287 -0.126 0.000 0.933 1526 K CB 0.956 33.401 32.500 -0.092 0.000 1.025 1526 K HN 0.416 nan 8.250 nan 0.000 0.463 1527 A N 2.682 125.473 122.820 -0.049 0.000 1.917 1527 A HA -0.220 4.098 4.320 -0.003 0.000 0.219 1527 A C 1.662 179.233 177.584 -0.023 0.000 1.182 1527 A CA 1.966 53.989 52.037 -0.024 0.000 0.633 1527 A CB -0.407 18.582 19.000 -0.017 0.000 0.819 1527 A HN 0.834 nan 8.150 nan 0.000 0.448 1528 E N -0.370 119.814 120.200 -0.027 0.000 2.478 1528 E HA -0.135 4.213 4.350 -0.003 0.000 0.198 1528 E C -0.132 176.457 176.600 -0.019 0.000 1.046 1528 E CA 1.129 57.517 56.400 -0.020 0.000 0.870 1528 E CB -0.315 29.375 29.700 -0.017 0.000 0.818 1528 E HN 0.527 nan 8.360 nan 0.000 0.527 1529 D N 0.166 120.550 120.400 -0.026 0.000 2.369 1529 D HA 0.163 4.801 4.640 -0.003 0.000 0.211 1529 D C 0.224 176.515 176.300 -0.016 0.000 1.077 1529 D CA 0.183 54.169 54.000 -0.024 0.000 0.842 1529 D CB 0.346 41.124 40.800 -0.037 0.000 0.947 1529 D HN 0.137 nan 8.370 nan 0.000 0.509 1530 M N 0.215 119.809 119.600 -0.011 0.000 2.664 1530 M HA 0.354 4.832 4.480 -0.003 0.000 0.314 1530 M C -0.619 175.682 176.300 0.002 0.000 1.200 1530 M CA -0.574 54.727 55.300 0.002 0.000 0.916 1530 M CB 2.025 34.632 32.600 0.012 0.000 1.717 1530 M HN -0.320 nan 8.290 nan 0.000 0.470 1531 D N 1.991 122.395 120.400 0.007 0.000 2.278 1531 D HA 0.400 5.038 4.640 -0.003 0.000 0.245 1531 D C -1.057 175.246 176.300 0.004 0.000 1.052 1531 D CA -0.497 53.504 54.000 0.003 0.000 0.834 1531 D CB 2.180 42.983 40.800 0.004 0.000 1.194 1531 D HN 0.356 nan 8.370 nan 0.000 0.481 1532 L N 3.267 124.486 121.223 -0.007 0.000 2.369 1532 L HA 0.191 4.529 4.340 -0.003 0.000 0.279 1532 L C 0.157 177.024 176.870 -0.005 0.000 1.108 1532 L CA 0.029 54.863 54.840 -0.010 0.000 0.852 1532 L CB 0.193 42.232 42.059 -0.034 0.000 1.169 1532 L HN 0.361 nan 8.230 nan 0.000 0.452 1533 E N 4.986 125.203 120.200 0.028 0.000 2.171 1533 E HA 0.231 4.579 4.350 -0.003 0.000 0.271 1533 E C -1.553 175.133 176.600 0.144 0.000 0.916 1533 E CA -0.864 55.572 56.400 0.059 0.000 0.774 1533 E CB 0.881 30.608 29.700 0.044 0.000 1.128 1533 E HN 0.619 nan 8.360 nan 0.000 0.403 1534 W N 5.518 126.776 121.300 -0.072 0.000 2.308 1534 W HA 0.326 4.984 4.660 -0.003 0.000 0.311 1534 W C -0.785 175.717 176.519 -0.029 0.000 1.088 1534 W CA -1.643 55.670 57.345 -0.053 0.000 1.309 1534 W CB 0.709 30.122 29.460 -0.078 0.000 1.229 1534 W HN 0.606 nan 8.180 nan 0.000 0.427 1535 R N 5.428 126.101 120.500 0.290 0.000 2.593 1535 R HA 0.049 4.387 4.340 -0.003 0.000 0.282 1535 R C 1.131 177.424 176.300 -0.012 0.000 1.300 1535 R CA -0.070 56.071 56.100 0.068 0.000 1.221 1535 R CB 0.419 30.769 30.300 0.082 0.000 1.157 1535 R HN 0.546 nan 8.270 nan 0.000 0.555 1536 Q N 0.850 120.480 119.800 -0.284 0.000 2.212 1536 Q HA 0.145 4.483 4.340 -0.003 0.000 0.213 1536 Q C 0.381 176.280 176.000 -0.169 0.000 0.874 1536 Q CA -0.278 55.355 55.803 -0.283 0.000 0.965 1536 Q CB 0.973 29.344 28.738 -0.612 0.000 1.074 1536 Q HN 0.510 nan 8.270 nan 0.000 0.473 1537 G N 1.322 110.057 108.800 -0.109 0.000 2.829 1537 G HA2 0.021 3.979 3.960 -0.003 0.000 0.173 1537 G HA3 0.021 3.979 3.960 -0.003 0.000 0.173 1537 G C 0.455 175.328 174.900 -0.045 0.000 1.476 1537 G CA -0.655 44.398 45.100 -0.078 0.000 1.072 1537 G HN 0.228 nan 8.290 nan 0.000 0.577 1538 R N -0.375 120.106 120.500 -0.033 0.000 2.377 1538 R HA -0.065 4.273 4.340 -0.003 0.000 0.207 1538 R C 2.802 179.076 176.300 -0.043 0.000 1.075 1538 R CA 1.356 57.437 56.100 -0.033 0.000 1.035 1538 R CB -0.786 29.501 30.300 -0.021 0.000 0.857 1538 R HN 0.529 nan 8.270 nan 0.000 0.475 1539 M N 0.149 119.718 119.600 -0.052 0.000 2.151 1539 M HA -0.068 4.410 4.480 -0.003 0.000 0.256 1539 M C 1.270 177.527 176.300 -0.072 0.000 1.072 1539 M CA 2.328 57.593 55.300 -0.058 0.000 1.090 1539 M CB -1.173 31.387 32.600 -0.066 0.000 1.294 1539 M HN 0.316 nan 8.290 nan 0.000 0.415 1540 A N -0.503 122.254 122.820 -0.104 0.000 2.359 1540 A HA 0.774 5.092 4.320 -0.003 0.000 0.303 1540 A C -0.193 177.310 177.584 -0.136 0.000 1.066 1540 A CA -0.000 51.962 52.037 -0.124 0.000 0.730 1540 A CB 0.536 19.434 19.000 -0.168 0.000 1.211 1540 A HN 1.770 nan 8.150 nan 0.000 0.439 1541 R N 1.921 122.367 120.500 -0.090 0.000 2.310 1541 R HA 0.652 4.990 4.340 -0.003 0.000 0.316 1541 R C -0.720 175.552 176.300 -0.047 0.000 1.004 1541 R CA -0.008 56.055 56.100 -0.061 0.000 0.900 1541 R CB 0.208 30.494 30.300 -0.025 0.000 1.152 1541 R HN 1.734 nan 8.270 nan 0.000 0.513 1542 I N 0.860 121.399 120.570 -0.053 0.000 2.404 1542 I HA 0.749 4.917 4.170 -0.003 0.000 0.293 1542 I C -0.183 175.942 176.117 0.013 0.000 0.992 1542 I CA -1.458 59.827 61.300 -0.024 0.000 1.149 1542 I CB 1.847 39.817 38.000 -0.051 0.000 1.315 1542 I HN 0.666 nan 8.210 nan 0.000 0.446 1543 I N 6.487 127.051 120.570 -0.011 0.000 2.385 1543 I HA 0.611 4.779 4.170 -0.003 0.000 0.294 1543 I C -1.339 174.707 176.117 -0.119 0.000 0.988 1543 I CA -0.191 61.089 61.300 -0.032 0.000 1.265 1543 I CB 1.201 39.195 38.000 -0.009 0.000 1.388 1543 I HN 0.598 nan 8.210 nan 0.000 0.480 1544 L N 6.355 127.462 121.223 -0.192 0.000 2.325 1544 L HA 0.672 5.010 4.340 -0.003 0.000 0.278 1544 L C -0.239 176.579 176.870 -0.087 0.000 1.023 1544 L CA -0.630 53.984 54.840 -0.377 0.000 0.811 1544 L CB 1.474 43.184 42.059 -0.582 0.000 1.249 1544 L HN 0.719 nan 8.230 nan 0.000 0.431 1545 Q N 0.393 120.235 119.800 0.070 0.000 2.553 1545 Q HA 0.243 4.582 4.340 -0.003 0.000 0.293 1545 Q C -0.559 175.506 176.000 0.108 0.000 1.038 1545 Q CA -0.955 54.894 55.803 0.076 0.000 0.777 1545 Q CB 2.219 30.992 28.738 0.059 0.000 1.487 1545 Q HN 0.437 nan 8.270 nan 0.000 0.426 1546 D N 0.869 121.280 120.400 0.018 0.000 2.149 1546 D HA -0.128 4.511 4.640 -0.003 0.000 0.198 1546 D C -0.214 176.047 176.300 -0.065 0.000 0.990 1546 D CA 1.542 55.513 54.000 -0.048 0.000 0.839 1546 D CB 0.416 41.169 40.800 -0.078 0.000 0.948 1546 D HN 0.399 nan 8.370 nan 0.000 0.460 1547 E N 0.256 120.444 120.200 -0.020 0.000 2.260 1547 E HA 0.287 4.635 4.350 -0.003 0.000 0.266 1547 E C -1.485 175.131 176.600 0.026 0.000 0.887 1547 E CA -0.651 55.735 56.400 -0.024 0.000 0.777 1547 E CB 1.359 31.041 29.700 -0.029 0.000 1.205 1547 E HN -0.025 nan 8.360 nan 0.000 0.414 1548 D N 2.856 123.281 120.400 0.041 0.000 3.009 1548 D HA 0.079 4.718 4.640 -0.003 0.000 0.318 1548 D C 0.802 177.141 176.300 0.066 0.000 1.273 1548 D CA -0.713 53.331 54.000 0.074 0.000 1.001 1548 D CB -0.054 40.828 40.800 0.136 0.000 1.411 1548 D HN 0.442 nan 8.370 nan 0.000 0.577 1549 I N -0.081 120.537 120.570 0.079 0.000 2.567 1549 I HA -0.193 3.975 4.170 -0.003 0.000 0.257 1549 I C 1.593 177.759 176.117 0.081 0.000 1.184 1549 I CA 2.014 63.355 61.300 0.069 0.000 1.451 1549 I CB -0.017 38.023 38.000 0.066 0.000 1.089 1549 I HN 0.621 nan 8.210 nan 0.000 0.441 1550 T N -2.515 112.107 114.554 0.114 0.000 3.100 1550 T HA 0.020 4.368 4.350 -0.003 0.000 0.253 1550 T C 1.054 175.849 174.700 0.158 0.000 1.118 1550 T CA 0.331 62.517 62.100 0.144 0.000 1.058 1550 T CB -1.066 67.919 68.868 0.195 0.000 0.953 1550 T HN 0.469 nan 8.240 nan 0.000 0.515 1551 T N 0.872 115.446 114.554 0.034 0.000 2.946 1551 T HA 0.230 4.579 4.350 -0.003 0.000 0.311 1551 T C -0.208 174.505 174.700 0.023 0.000 1.063 1551 T CA -0.522 61.524 62.100 -0.090 0.000 1.139 1551 T CB 0.321 69.119 68.868 -0.116 0.000 0.994 1551 T HN 0.294 nan 8.240 nan 0.000 0.547 1552 K N 2.755 123.170 120.400 0.024 0.000 2.297 1552 K HA 0.480 4.798 4.320 -0.003 0.000 0.286 1552 K C -0.413 176.261 176.600 0.123 0.000 1.053 1552 K CA -0.252 56.096 56.287 0.102 0.000 0.940 1552 K CB 0.561 33.144 32.500 0.138 0.000 1.019 1552 K HN 0.599 nan 8.250 nan 0.000 0.475 1553 I N 2.385 123.038 120.570 0.138 0.000 2.436 1553 I HA 0.260 4.429 4.170 -0.003 0.000 0.289 1553 I C -0.547 175.679 176.117 0.180 0.000 1.010 1553 I CA -0.523 60.877 61.300 0.168 0.000 1.098 1553 I CB 1.876 39.945 38.000 0.115 0.000 1.266 1553 I HN 0.589 nan 8.210 nan 0.000 0.434 1554 E N 5.439 125.784 120.200 0.242 0.000 2.260 1554 E HA 0.296 4.645 4.350 -0.003 0.000 0.266 1554 E C -0.849 175.899 176.600 0.247 0.000 0.887 1554 E CA -0.544 55.983 56.400 0.210 0.000 0.777 1554 E CB 1.670 31.489 29.700 0.197 0.000 1.205 1554 E HN 0.866 nan 8.360 nan 0.000 0.414 1555 C N 5.430 124.836 119.300 0.176 0.000 3.200 1555 C HA -0.163 4.295 4.460 -0.003 0.000 0.263 1555 C C 0.391 175.476 174.990 0.159 0.000 1.345 1555 C CA 1.118 60.234 59.018 0.165 0.000 2.274 1555 C CB -2.308 25.544 27.740 0.188 0.000 1.459 1555 C HN 1.098 nan 8.230 nan 0.000 0.501 1556 D N -3.494 116.956 120.400 0.084 0.000 2.946 1556 D HA -0.194 4.444 4.640 -0.003 0.000 0.202 1556 D C -0.187 176.041 176.300 -0.120 0.000 1.068 1556 D CA 2.110 56.086 54.000 -0.041 0.000 1.011 1556 D CB -1.211 39.512 40.800 -0.128 0.000 1.105 1556 D HN 0.880 nan 8.370 nan 0.000 0.425 1557 W N 1.358 122.695 121.300 0.061 0.000 2.417 1557 W HA 0.485 5.143 4.660 -0.003 0.000 0.317 1557 W C 0.762 177.413 176.519 0.220 0.000 1.121 1557 W CA -0.621 56.797 57.345 0.120 0.000 1.208 1557 W CB 1.088 30.559 29.460 0.018 0.000 1.253 1557 W HN -0.271 nan 8.180 nan 0.000 0.533 1558 K N 4.424 125.117 120.400 0.489 0.000 2.413 1558 K HA 0.421 4.739 4.320 -0.003 0.000 0.257 1558 K C -0.659 176.068 176.600 0.211 0.000 0.946 1558 K CA -0.846 55.615 56.287 0.290 0.000 0.823 1558 K CB 1.155 33.734 32.500 0.132 0.000 1.109 1558 K HN 0.566 nan 8.250 nan 0.000 0.427 1559 R N 3.482 123.967 120.500 -0.025 0.000 2.349 1559 R HA 0.236 4.575 4.340 -0.003 0.000 0.299 1559 R C -0.599 175.471 176.300 -0.383 0.000 1.027 1559 R CA -0.579 55.195 56.100 -0.543 0.000 0.958 1559 R CB 1.161 30.997 30.300 -0.773 0.000 1.047 1559 R HN 0.361 nan 8.270 nan 0.000 0.468 1560 V N 4.819 124.503 119.914 -0.384 0.000 2.585 1560 V HA -0.052 4.066 4.120 -0.003 0.000 0.296 1560 V C 0.185 176.058 176.094 -0.370 0.000 1.035 1560 V CA -0.116 61.992 62.300 -0.320 0.000 1.084 1560 V CB 0.589 32.205 31.823 -0.346 0.000 0.953 1560 V HN 0.772 nan 8.190 nan 0.000 0.483 1561 N N 3.232 121.709 118.700 -0.373 0.000 2.468 1561 N HA 0.147 4.886 4.740 -0.003 0.000 0.265 1561 N C 0.201 175.595 175.510 -0.193 0.000 1.199 1561 N CA 0.088 52.866 53.050 -0.453 0.000 0.928 1561 N CB 0.863 39.102 38.487 -0.414 0.000 1.059 1561 N HN 0.916 nan 8.380 nan 0.000 0.467 1562 S N 1.114 116.757 115.700 -0.095 0.000 2.767 1562 S HA 0.441 4.909 4.470 -0.003 0.000 0.300 1562 S C 1.393 176.075 174.600 0.137 0.000 1.123 1562 S CA -0.874 57.349 58.200 0.038 0.000 0.992 1562 S CB 0.764 64.010 63.200 0.076 0.000 1.138 1562 S HN 0.427 nan 8.310 nan 0.000 0.550 1563 L N 0.344 121.630 121.223 0.105 0.000 2.131 1563 L HA -0.028 4.310 4.340 -0.003 0.000 0.210 1563 L C 2.923 179.839 176.870 0.077 0.000 1.092 1563 L CA 1.494 56.384 54.840 0.084 0.000 0.759 1563 L CB -0.915 41.134 42.059 -0.018 0.000 0.903 1563 L HN 0.921 nan 8.230 nan 0.000 0.435 1564 A N -1.236 121.623 122.820 0.065 0.000 2.014 1564 A HA -0.235 4.083 4.320 -0.003 0.000 0.218 1564 A C 2.244 179.857 177.584 0.049 0.000 1.163 1564 A CA 1.112 53.178 52.037 0.047 0.000 0.652 1564 A CB -0.827 18.199 19.000 0.043 0.000 0.808 1564 A HN 0.485 nan 8.150 nan 0.000 0.449 1565 H N -1.583 117.449 119.070 -0.064 0.000 2.387 1565 H HA -0.180 4.375 4.556 -0.003 0.000 0.299 1565 H C 0.910 176.121 175.328 -0.195 0.000 1.099 1565 H CA 1.974 57.916 56.048 -0.177 0.000 1.315 1565 H CB -0.031 29.536 29.762 -0.324 0.000 1.380 1565 H HN 0.583 nan 8.280 nan 0.000 0.513 1566 Y N 1.120 121.463 120.300 0.071 0.000 2.466 1566 Y HA 0.060 4.608 4.550 -0.003 0.000 0.272 1566 Y C 0.797 176.760 175.900 0.104 0.000 1.169 1566 Y CA 0.103 58.256 58.100 0.088 0.000 1.285 1566 Y CB 0.340 38.893 38.460 0.155 0.000 1.078 1566 Y HN 0.175 nan 8.280 nan 0.000 0.523 1567 Q N -1.423 118.455 119.800 0.131 0.000 2.494 1567 Q HA -0.175 4.163 4.340 -0.003 0.000 0.266 1567 Q C -0.151 175.889 176.000 0.066 0.000 1.053 1567 Q CA 0.590 56.460 55.803 0.111 0.000 1.029 1567 Q CB -2.524 26.309 28.738 0.158 0.000 1.423 1567 Q HN 0.225 nan 8.270 nan 0.000 0.516 1568 V N 2.007 121.813 119.914 -0.180 0.000 2.617 1568 V HA 0.080 4.198 4.120 -0.003 0.000 0.304 1568 V C 1.368 177.316 176.094 -0.242 0.000 1.040 1568 V CA 1.276 63.209 62.300 -0.613 0.000 1.149 1568 V CB 0.798 32.197 31.823 -0.707 0.000 0.914 1568 V HN 0.448 nan 8.190 nan 0.000 0.487 1569 T N 0.920 115.393 114.554 -0.135 0.000 2.902 1569 T HA 0.392 4.740 4.350 -0.003 0.000 0.283 1569 T C -0.343 174.351 174.700 -0.009 0.000 1.009 1569 T CA -0.896 61.210 62.100 0.011 0.000 1.051 1569 T CB 1.444 70.390 68.868 0.130 0.000 0.999 1569 T HN 0.665 nan 8.240 nan 0.000 0.474 1570 D N 0.568 120.972 120.400 0.007 0.000 2.525 1570 D HA 0.332 4.970 4.640 -0.003 0.000 0.235 1570 D C 1.619 177.952 176.300 0.056 0.000 1.137 1570 D CA 1.848 55.852 54.000 0.008 0.000 0.868 1570 D CB -0.231 40.578 40.800 0.015 0.000 1.180 1570 D HN 1.107 nan 8.370 nan 0.000 0.465 1571 G N 2.298 111.135 108.800 0.061 0.000 2.176 1571 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.253 1571 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.253 1571 G C 0.518 175.587 174.900 0.280 0.000 0.979 1571 G CA 0.339 45.569 45.100 0.216 0.000 0.641 1571 G HN 0.674 nan 8.290 nan 0.000 0.530 1572 S N 0.071 115.863 115.700 0.154 0.000 2.558 1572 S HA 0.378 4.847 4.470 -0.003 0.000 0.288 1572 S C 0.413 175.146 174.600 0.220 0.000 1.318 1572 S CA -0.026 58.296 58.200 0.204 0.000 1.056 1572 S CB 1.273 64.494 63.200 0.034 0.000 0.853 1572 S HN 0.770 nan 8.310 nan 0.000 0.505 1573 L N 4.484 125.873 121.223 0.277 0.000 2.350 1573 L HA 0.662 5.000 4.340 -0.003 0.000 0.275 1573 L C -0.416 176.591 176.870 0.229 0.000 1.099 1573 L CA 0.316 55.290 54.840 0.223 0.000 0.808 1573 L CB 1.039 43.197 42.059 0.166 0.000 1.149 1573 L HN 0.450 nan 8.230 nan 0.000 0.442 1574 V N 3.367 123.368 119.914 0.145 0.000 3.120 1574 V HA 0.919 5.037 4.120 -0.003 0.000 0.303 1574 V C -1.025 175.113 176.094 0.074 0.000 1.238 1574 V CA -0.174 62.190 62.300 0.107 0.000 1.008 1574 V CB 2.122 33.961 31.823 0.028 0.000 1.064 1574 V HN 1.044 nan 8.190 nan 0.000 0.434 1575 A N 3.752 126.610 122.820 0.063 0.000 2.515 1575 A HA 0.888 5.206 4.320 -0.003 0.000 0.298 1575 A C -1.691 175.916 177.584 0.038 0.000 1.059 1575 A CA -0.546 51.518 52.037 0.044 0.000 0.698 1575 A CB 1.632 20.658 19.000 0.044 0.000 1.289 1575 A HN 0.736 nan 8.150 nan 0.000 0.404 1576 L N 2.268 123.514 121.223 0.039 0.000 2.264 1576 L HA 0.600 4.938 4.340 -0.003 0.000 0.289 1576 L C -0.389 176.509 176.870 0.046 0.000 1.044 1576 L CA -0.813 54.055 54.840 0.046 0.000 0.807 1576 L CB 1.394 43.497 42.059 0.074 0.000 1.192 1576 L HN 0.637 nan 8.230 nan 0.000 0.425 1577 V N 2.005 121.940 119.914 0.035 0.000 2.656 1577 V HA 0.615 4.733 4.120 -0.003 0.000 0.307 1577 V C -2.622 173.485 176.094 0.022 0.000 1.051 1577 V CA -2.841 59.477 62.300 0.029 0.000 0.893 1577 V CB 1.593 33.430 31.823 0.023 0.000 0.999 1577 V HN 0.442 nan 8.190 nan 0.000 0.426 1578 P HA 0.105 nan 4.420 nan 0.000 0.263 1578 P C 0.013 177.318 177.300 0.008 0.000 1.175 1578 P CA 0.323 63.430 63.100 0.011 0.000 0.761 1578 P CB 0.351 32.057 31.700 0.010 0.000 0.794 1627 T N -0.875 113.620 114.554 -0.099 0.000 2.855 1627 T HA 0.736 5.084 4.350 -0.003 0.000 0.281 1627 T C -0.620 173.980 174.700 -0.168 0.000 1.007 1627 T CA -0.639 61.387 62.100 -0.123 0.000 1.009 1627 T CB 2.703 71.540 68.868 -0.052 0.000 0.983 1627 T HN 0.073 nan 8.240 nan 0.000 0.455 1628 K N 2.396 122.619 120.400 -0.294 0.000 2.235 1628 K HA 0.557 4.875 4.320 -0.003 0.000 0.266 1628 K C -0.740 175.852 176.600 -0.014 0.000 0.980 1628 K CA -0.948 55.128 56.287 -0.352 0.000 0.849 1628 K CB 1.074 32.956 32.500 -1.030 0.000 1.098 1628 K HN 0.484 nan 8.250 nan 0.000 0.445 1629 L N 1.627 122.923 121.223 0.122 0.000 2.343 1629 L HA 0.661 4.999 4.340 -0.003 0.000 0.275 1629 L C -0.477 176.690 176.870 0.495 0.000 1.056 1629 L CA -0.792 54.217 54.840 0.282 0.000 0.804 1629 L CB -0.029 42.102 42.059 0.120 0.000 1.203 1629 L HN 0.673 nan 8.230 nan 0.000 0.440 1630 W N 1.284 122.722 121.300 0.229 0.000 3.042 1630 W HA 0.508 5.166 4.660 -0.003 0.000 0.342 1630 W C -0.649 175.971 176.519 0.169 0.000 1.240 1630 W CA -0.585 56.882 57.345 0.203 0.000 1.166 1630 W CB 1.299 30.870 29.460 0.185 0.000 1.469 1630 W HN 0.825 nan 8.180 nan 0.000 0.579 1631 H N -0.335 118.710 119.070 -0.042 0.000 2.258 1631 H HA 0.274 4.828 4.556 -0.003 0.000 0.185 1631 H C 0.906 176.089 175.328 -0.241 0.000 0.986 1631 H CA 0.429 56.312 56.048 -0.275 0.000 1.166 1631 H CB 0.790 30.486 29.762 -0.110 0.000 1.161 1631 H HN 0.301 nan 8.280 nan 0.000 0.420 1632 L N 1.006 122.127 121.223 -0.170 0.000 2.467 1632 L HA 0.281 4.619 4.340 -0.003 0.000 0.213 1632 L C -0.010 176.956 176.870 0.161 0.000 1.053 1632 L CA 0.068 54.823 54.840 -0.142 0.000 0.847 1632 L CB 1.403 43.257 42.059 -0.342 0.000 1.075 1632 L HN -0.001 nan 8.230 nan 0.000 0.479 1633 V N 1.369 121.395 119.914 0.186 0.000 2.417 1633 V HA 0.367 4.485 4.120 -0.003 0.000 0.291 1633 V C -0.269 175.886 176.094 0.101 0.000 1.024 1633 V CA -0.534 61.834 62.300 0.114 0.000 0.861 1633 V CB 1.782 33.627 31.823 0.037 0.000 0.985 1633 V HN 0.205 nan 8.190 nan 0.000 0.436 1634 R N 4.151 124.523 120.500 -0.213 0.000 2.337 1634 R HA 0.408 4.746 4.340 -0.003 0.000 0.319 1634 R C -1.066 174.910 176.300 -0.540 0.000 0.954 1634 R CA -0.510 55.178 56.100 -0.687 0.000 0.840 1634 R CB 0.796 30.139 30.300 -1.594 0.000 1.164 1634 R HN 0.676 nan 8.270 nan 0.000 0.472 1635 N N 3.816 122.332 118.700 -0.307 0.000 2.501 1635 N HA 0.186 4.924 4.740 -0.003 0.000 0.245 1635 N C -0.497 175.019 175.510 0.009 0.000 0.974 1635 N CA -0.399 52.592 53.050 -0.099 0.000 0.941 1635 N CB 0.855 39.356 38.487 0.022 0.000 1.122 1635 N HN 0.548 nan 8.380 nan 0.000 0.507 1652 S N 2.510 118.296 115.700 0.144 0.000 2.576 1652 S HA 0.201 4.669 4.470 -0.003 0.000 0.272 1652 S C 0.890 175.513 174.600 0.038 0.000 1.352 1652 S CA 0.856 59.103 58.200 0.079 0.000 1.021 1652 S CB 0.864 64.102 63.200 0.064 0.000 0.887 1652 S HN 0.868 nan 8.310 nan 0.000 0.542 1653 E N 0.569 120.762 120.200 -0.012 0.000 2.085 1653 E HA -0.170 4.178 4.350 -0.003 0.000 0.194 1653 E C 1.782 178.342 176.600 -0.068 0.000 0.994 1653 E CA 1.429 57.813 56.400 -0.027 0.000 0.801 1653 E CB -0.257 29.422 29.700 -0.034 0.000 0.743 1653 E HN 0.776 nan 8.360 nan 0.000 0.453 1654 I N 0.156 120.625 120.570 -0.168 0.000 2.208 1654 I HA -0.335 3.833 4.170 -0.003 0.000 0.245 1654 I C 1.677 177.631 176.117 -0.272 0.000 1.097 1654 I CA 1.502 62.635 61.300 -0.278 0.000 1.363 1654 I CB 0.008 37.742 38.000 -0.442 0.000 1.051 1654 I HN 0.167 nan 8.210 nan 0.000 0.413 1655 Y N -0.637 119.663 120.300 -0.001 0.000 2.286 1655 Y HA -0.155 4.393 4.550 -0.003 0.000 0.293 1655 Y C 2.341 178.244 175.900 0.006 0.000 1.124 1655 Y CA 0.230 58.330 58.100 0.000 0.000 1.178 1655 Y CB -0.118 38.341 38.460 -0.001 0.000 1.010 1655 Y HN 0.148 nan 8.280 nan 0.000 0.536 1656 L N 0.573 121.875 121.223 0.131 0.000 2.042 1656 L HA -0.206 4.132 4.340 -0.003 0.000 0.210 1656 L C 2.474 179.374 176.870 0.050 0.000 1.076 1656 L CA 2.718 57.605 54.840 0.078 0.000 0.749 1656 L CB -1.099 40.989 42.059 0.049 0.000 0.893 1656 L HN 0.439 nan 8.230 nan 0.000 0.432 1657 T N -3.306 111.265 114.554 0.029 0.000 2.867 1657 T HA -0.189 4.159 4.350 -0.003 0.000 0.268 1657 T C 1.978 176.704 174.700 0.044 0.000 1.057 1657 T CA 0.717 62.829 62.100 0.019 0.000 1.136 1657 T CB -0.262 68.605 68.868 -0.003 0.000 0.874 1657 T HN 0.332 nan 8.240 nan 0.000 0.466 1658 R N 0.555 121.096 120.500 0.068 0.000 2.066 1658 R HA 0.139 4.477 4.340 -0.003 0.000 0.232 1658 R C 2.617 178.985 176.300 0.114 0.000 1.131 1658 R CA 1.427 57.590 56.100 0.105 0.000 0.955 1658 R CB -0.689 29.689 30.300 0.130 0.000 0.851 1658 R HN 0.385 nan 8.270 nan 0.000 0.432 1659 L N 0.715 121.998 121.223 0.099 0.000 2.042 1659 L HA -0.226 4.112 4.340 -0.003 0.000 0.210 1659 L C 2.407 179.305 176.870 0.047 0.000 1.076 1659 L CA 1.303 56.191 54.840 0.080 0.000 0.749 1659 L CB -0.435 41.665 42.059 0.069 0.000 0.893 1659 L HN 0.213 nan 8.230 nan 0.000 0.432 1660 L N -0.725 120.514 121.223 0.026 0.000 2.093 1660 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 1660 L C 2.832 179.703 176.870 0.002 0.000 1.085 1660 L CA 1.016 55.848 54.840 -0.013 0.000 0.755 1660 L CB -0.647 41.401 42.059 -0.019 0.000 0.904 1660 L HN 0.245 nan 8.230 nan 0.000 0.435 1661 A N -0.543 122.302 122.820 0.041 0.000 1.898 1661 A HA -0.183 4.135 4.320 -0.003 0.000 0.216 1661 A C 2.363 179.984 177.584 0.061 0.000 1.181 1661 A CA 2.253 54.324 52.037 0.056 0.000 0.620 1661 A CB -0.817 18.239 19.000 0.094 0.000 0.819 1661 A HN 0.358 nan 8.150 nan 0.000 0.442 1662 T N -0.220 114.387 114.554 0.088 0.000 2.737 1662 T HA -0.127 4.222 4.350 -0.003 0.000 0.265 1662 T C 2.079 176.814 174.700 0.059 0.000 1.038 1662 T CA 1.444 63.594 62.100 0.082 0.000 1.144 1662 T CB -0.190 68.751 68.868 0.122 0.000 0.866 1662 T HN 0.433 nan 8.240 nan 0.000 0.434 1663 K N 1.134 121.553 120.400 0.031 0.000 2.044 1663 K HA -0.126 4.192 4.320 -0.003 0.000 0.210 1663 K C 2.511 179.097 176.600 -0.024 0.000 1.049 1663 K CA 1.949 58.226 56.287 -0.017 0.000 0.927 1663 K CB -0.986 31.418 32.500 -0.161 0.000 0.713 1663 K HN 0.411 nan 8.250 nan 0.000 0.443 1664 G N -0.118 108.662 108.800 -0.033 0.000 2.422 1664 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.218 1664 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.218 1664 G C 1.487 176.389 174.900 0.004 0.000 1.146 1664 G CA 1.346 46.425 45.100 -0.034 0.000 0.769 1664 G HN 0.388 nan 8.290 nan 0.000 0.547 1665 T N 1.059 115.647 114.554 0.056 0.000 2.867 1665 T HA 0.038 4.386 4.350 -0.003 0.000 0.268 1665 T C 2.209 177.054 174.700 0.242 0.000 1.057 1665 T CA 0.627 62.809 62.100 0.136 0.000 1.136 1665 T CB -0.085 68.841 68.868 0.095 0.000 0.874 1665 T HN 0.160 nan 8.240 nan 0.000 0.466 1666 L N 0.666 122.004 121.223 0.191 0.000 2.567 1666 L HA 0.146 4.484 4.340 -0.003 0.000 0.225 1666 L C 2.556 179.563 176.870 0.228 0.000 1.119 1666 L CA 0.137 55.156 54.840 0.298 0.000 0.871 1666 L CB -0.312 41.854 42.059 0.179 0.000 1.036 1666 L HN 0.140 nan 8.230 nan 0.000 0.459 1667 Q N 1.277 121.117 119.800 0.066 0.000 2.096 1667 Q HA -0.270 4.068 4.340 -0.003 0.000 0.208 1667 Q C 2.022 177.977 176.000 -0.075 0.000 0.993 1667 Q CA 1.948 57.751 55.803 -0.000 0.000 0.862 1667 Q CB 0.044 28.740 28.738 -0.070 0.000 0.915 1667 Q HN 0.078 nan 8.270 nan 0.000 0.416 1668 K N -0.664 119.552 120.400 -0.306 0.000 2.097 1668 K HA -0.085 4.233 4.320 -0.003 0.000 0.206 1668 K C 1.705 178.169 176.600 -0.228 0.000 1.049 1668 K CA 1.308 57.337 56.287 -0.431 0.000 0.933 1668 K CB -0.459 31.405 32.500 -1.060 0.000 0.717 1668 K HN 0.252 nan 8.250 nan 0.000 0.442 1669 F N -0.474 119.489 119.950 0.021 0.000 2.234 1669 F HA -0.136 4.389 4.527 -0.003 0.000 0.299 1669 F C 2.105 177.890 175.800 -0.025 0.000 1.087 1669 F CA 0.668 58.698 58.000 0.049 0.000 1.340 1669 F CB -0.554 38.485 39.000 0.065 0.000 1.031 1669 F HN -0.220 nan 8.300 nan 0.000 0.500 1670 V N -0.277 119.685 119.914 0.080 0.000 2.379 1670 V HA -0.227 3.892 4.120 -0.003 0.000 0.245 1670 V C 1.959 177.875 176.094 -0.296 0.000 1.044 1670 V CA 1.815 63.993 62.300 -0.204 0.000 1.036 1670 V CB -0.514 31.153 31.823 -0.260 0.000 0.664 1670 V HN 0.189 nan 8.190 nan 0.000 0.453 1671 D N 0.245 120.619 120.400 -0.043 0.000 2.123 1671 D HA -0.173 4.465 4.640 -0.003 0.000 0.196 1671 D C 1.915 178.352 176.300 0.228 0.000 0.992 1671 D CA 1.478 55.602 54.000 0.206 0.000 0.833 1671 D CB -0.330 40.613 40.800 0.239 0.000 0.954 1671 D HN 0.389 nan 8.370 nan 0.000 0.455 1672 D N 0.094 120.560 120.400 0.110 0.000 2.097 1672 D HA -0.122 4.516 4.640 -0.003 0.000 0.195 1672 D C 2.149 178.511 176.300 0.105 0.000 0.989 1672 D CA 0.325 54.384 54.000 0.100 0.000 0.827 1672 D CB -0.375 40.477 40.800 0.085 0.000 0.966 1672 D HN 0.122 nan 8.370 nan 0.000 0.456 1673 L N 0.213 121.507 121.223 0.117 0.000 1.976 1673 L HA -0.158 4.180 4.340 -0.003 0.000 0.209 1673 L C 2.103 179.102 176.870 0.215 0.000 1.071 1673 L CA 1.621 56.536 54.840 0.125 0.000 0.746 1673 L CB -0.870 41.284 42.059 0.158 0.000 0.890 1673 L HN -0.108 nan 8.230 nan 0.000 0.432 1674 F N 0.519 120.498 119.950 0.048 0.000 2.126 1674 F HA -0.200 4.325 4.527 -0.003 0.000 0.299 1674 F C 2.718 178.666 175.800 0.247 0.000 1.096 1674 F CA 1.519 59.613 58.000 0.156 0.000 1.255 1674 F CB -1.170 37.905 39.000 0.125 0.000 0.997 1674 F HN 0.345 nan 8.300 nan 0.000 0.479 1675 E N -0.180 120.272 120.200 0.420 0.000 2.085 1675 E HA -0.232 4.116 4.350 -0.003 0.000 0.194 1675 E C 2.246 178.811 176.600 -0.059 0.000 0.994 1675 E CA 2.018 58.412 56.400 -0.009 0.000 0.801 1675 E CB -0.063 29.500 29.700 -0.228 0.000 0.743 1675 E HN 0.470 nan 8.360 nan 0.000 0.453 1676 T N -1.928 112.561 114.554 -0.108 0.000 2.896 1676 T HA -0.038 4.310 4.350 -0.003 0.000 0.263 1676 T C 1.997 176.557 174.700 -0.233 0.000 1.050 1676 T CA 0.969 62.907 62.100 -0.270 0.000 1.140 1676 T CB -0.300 68.219 68.868 -0.581 0.000 0.877 1676 T HN 0.005 nan 8.240 nan 0.000 0.457 1677 V N 0.514 120.181 119.914 -0.412 0.000 2.392 1677 V HA -0.025 4.093 4.120 -0.003 0.000 0.249 1677 V C 1.582 177.121 176.094 -0.924 0.000 1.059 1677 V CA 1.421 63.214 62.300 -0.845 0.000 1.051 1677 V CB -0.821 30.181 31.823 -1.368 0.000 0.658 1677 V HN 0.526 nan 8.190 nan 0.000 0.455 1678 F N 0.603 120.277 119.950 -0.461 0.000 2.916 1678 F HA 0.319 4.844 4.527 -0.003 0.000 0.294 1678 F C 0.964 176.547 175.800 -0.361 0.000 1.189 1678 F CA -0.490 57.003 58.000 -0.844 0.000 1.369 1678 F CB -0.229 38.473 39.000 -0.497 0.000 0.961 1678 F HN 0.086 nan 8.300 nan 0.000 0.508 1679 S N -1.820 113.895 115.700 0.024 0.000 2.549 1679 S HA 0.470 4.938 4.470 -0.003 0.000 0.297 1679 S C 0.904 175.742 174.600 0.396 0.000 1.115 1679 S CA 0.013 58.352 58.200 0.232 0.000 1.059 1679 S CB 1.772 65.092 63.200 0.199 0.000 1.046 1679 S HN 0.244 nan 8.310 nan 0.000 0.506 1680 T N -1.758 112.989 114.554 0.322 0.000 3.023 1680 T HA 0.415 4.763 4.350 -0.003 0.000 0.249 1680 T C 0.726 175.532 174.700 0.178 0.000 1.050 1680 T CA 0.313 62.553 62.100 0.232 0.000 1.088 1680 T CB -0.017 68.941 68.868 0.150 0.000 0.946 1680 T HN 1.126 nan 8.240 nan 0.000 0.480 1681 A N 1.545 124.474 122.820 0.181 0.000 3.355 1681 A HA 0.377 4.695 4.320 -0.003 0.000 0.290 1681 A C -0.317 177.366 177.584 0.166 0.000 0.973 1681 A CA -0.641 51.485 52.037 0.148 0.000 0.933 1681 A CB -0.437 18.617 19.000 0.090 0.000 1.138 1681 A HN 0.594 nan 8.150 nan 0.000 0.490 1682 H N 1.334 120.486 119.070 0.137 0.000 2.722 1682 H HA 0.388 4.942 4.556 -0.003 0.000 0.328 1682 H C 1.199 176.574 175.328 0.078 0.000 1.067 1682 H CA 0.968 57.081 56.048 0.108 0.000 1.447 1682 H CB 0.625 30.471 29.762 0.141 0.000 1.469 1682 H HN 1.008 nan 8.280 nan 0.000 0.544 1683 R N 2.997 123.234 120.500 -0.438 0.000 3.184 1683 R HA -0.221 4.117 4.340 -0.003 0.000 0.242 1683 R C 1.403 177.657 176.300 -0.078 0.000 0.907 1683 R CA 1.772 57.701 56.100 -0.286 0.000 0.618 1683 R CB -3.005 27.089 30.300 -0.343 0.000 1.016 1683 R HN 1.439 nan 8.270 nan 0.000 0.469 1684 G N -2.110 106.670 108.800 -0.033 0.000 2.347 1684 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.247 1684 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.247 1684 G C 1.141 176.067 174.900 0.043 0.000 1.037 1684 G CA 1.446 46.550 45.100 0.007 0.000 0.622 1684 G HN 2.535 nan 8.290 nan 0.000 0.521 1685 S N 0.581 116.327 115.700 0.077 0.000 2.612 1685 S HA 0.689 5.157 4.470 -0.003 0.000 0.253 1685 S C 0.472 175.145 174.600 0.121 0.000 1.346 1685 S CA 0.941 59.211 58.200 0.117 0.000 0.976 1685 S CB 1.443 64.757 63.200 0.189 0.000 0.949 1685 S HN 2.092 nan 8.310 nan 0.000 0.584 1686 A N 0.099 122.989 122.820 0.116 0.000 2.384 1686 A HA 0.677 4.995 4.320 -0.003 0.000 0.312 1686 A C -0.441 177.190 177.584 0.079 0.000 1.113 1686 A CA -0.960 51.126 52.037 0.082 0.000 0.779 1686 A CB 0.782 19.803 19.000 0.035 0.000 1.307 1686 A HN 1.120 nan 8.150 nan 0.000 0.436 1687 L N 2.055 123.300 121.223 0.036 0.000 2.540 1687 L HA 0.272 4.610 4.340 -0.003 0.000 0.276 1687 L C -2.057 174.751 176.870 -0.103 0.000 1.212 1687 L CA -0.545 54.270 54.840 -0.043 0.000 0.893 1687 L CB -0.194 41.838 42.059 -0.045 0.000 1.138 1687 L HN 0.428 nan 8.230 nan 0.000 0.491 1688 P HA -0.004 nan 4.420 nan 0.000 0.265 1688 P C 0.789 177.988 177.300 -0.167 0.000 1.193 1688 P CA 0.034 63.029 63.100 -0.175 0.000 0.765 1688 P CB 0.507 32.076 31.700 -0.217 0.000 0.823 1689 L N 2.291 123.363 121.223 -0.253 0.000 2.079 1689 L HA -0.248 4.090 4.340 -0.003 0.000 0.210 1689 L C 2.331 179.183 176.870 -0.030 0.000 1.081 1689 L CA 1.930 56.638 54.840 -0.220 0.000 0.752 1689 L CB -1.021 40.724 42.059 -0.524 0.000 0.896 1689 L HN 0.440 nan 8.230 nan 0.000 0.433 1690 A N 0.466 123.264 122.820 -0.036 0.000 1.940 1690 A HA -0.202 4.117 4.320 -0.003 0.000 0.219 1690 A C 2.217 180.014 177.584 0.356 0.000 1.176 1690 A CA 1.688 53.790 52.037 0.108 0.000 0.631 1690 A CB -0.626 18.235 19.000 -0.233 0.000 0.814 1690 A HN 0.383 nan 8.150 nan 0.000 0.446 1691 I N -0.915 119.728 120.570 0.122 0.000 2.163 1691 I HA -0.214 3.954 4.170 -0.003 0.000 0.240 1691 I C 2.518 178.536 176.117 -0.165 0.000 1.081 1691 I CA 1.763 62.996 61.300 -0.110 0.000 1.353 1691 I CB -0.255 37.533 38.000 -0.353 0.000 1.054 1691 I HN 0.274 nan 8.210 nan 0.000 0.407 1692 K N 1.043 121.416 120.400 -0.045 0.000 2.032 1692 K HA -0.272 4.046 4.320 -0.003 0.000 0.209 1692 K C 2.210 178.930 176.600 0.201 0.000 1.048 1692 K CA 1.849 58.168 56.287 0.053 0.000 0.927 1692 K CB -0.893 31.635 32.500 0.047 0.000 0.712 1692 K HN 0.289 nan 8.250 nan 0.000 0.441 1693 Y N -0.186 120.198 120.300 0.140 0.000 2.097 1693 Y HA -0.265 4.283 4.550 -0.002 0.000 0.282 1693 Y C 2.265 178.317 175.900 0.253 0.000 1.152 1693 Y CA 2.522 60.740 58.100 0.197 0.000 1.136 1693 Y CB -0.254 38.349 38.460 0.239 0.000 0.975 1693 Y HN 0.200 nan 8.280 nan 0.000 0.498 1694 M N -1.020 118.845 119.600 0.442 0.000 2.200 1694 M HA -0.109 4.369 4.480 -0.003 0.000 0.265 1694 M C 1.603 178.219 176.300 0.526 0.000 1.066 1694 M CA 1.569 57.099 55.300 0.384 0.000 1.127 1694 M CB -0.810 32.068 32.600 0.463 0.000 1.379 1694 M HN 0.256 nan 8.290 nan 0.000 0.420 1695 F N 0.712 120.799 119.950 0.229 0.000 2.171 1695 F HA -0.153 4.372 4.527 -0.002 0.000 0.300 1695 F C 2.110 177.954 175.800 0.073 0.000 1.090 1695 F CA 1.213 59.290 58.000 0.127 0.000 1.293 1695 F CB -1.446 37.597 39.000 0.072 0.000 1.013 1695 F HN 0.192 nan 8.300 nan 0.000 0.486 1696 D N -0.531 120.020 120.400 0.252 0.000 2.117 1696 D HA -0.210 4.428 4.640 -0.003 0.000 0.197 1696 D C 2.150 178.489 176.300 0.065 0.000 0.987 1696 D CA 0.949 55.013 54.000 0.106 0.000 0.829 1696 D CB -0.698 40.130 40.800 0.047 0.000 0.961 1696 D HN 0.234 nan 8.370 nan 0.000 0.460 1697 F N 1.198 121.097 119.950 -0.085 0.000 2.095 1697 F HA -0.144 4.382 4.527 -0.003 0.000 0.298 1697 F C 2.019 177.809 175.800 -0.018 0.000 1.104 1697 F CA 1.233 59.162 58.000 -0.118 0.000 1.232 1697 F CB -0.360 38.521 39.000 -0.198 0.000 0.987 1697 F HN -0.094 nan 8.300 nan 0.000 0.475 1698 L N 0.037 121.268 121.223 0.013 0.000 2.042 1698 L HA -0.242 4.096 4.340 -0.003 0.000 0.210 1698 L C 2.218 179.103 176.870 0.024 0.000 1.076 1698 L CA 1.525 56.365 54.840 0.000 0.000 0.749 1698 L CB -0.934 41.227 42.059 0.170 0.000 0.893 1698 L HN 0.117 nan 8.230 nan 0.000 0.432 1699 D N -0.170 120.222 120.400 -0.013 0.000 2.123 1699 D HA -0.226 4.412 4.640 -0.003 0.000 0.196 1699 D C 2.059 178.320 176.300 -0.064 0.000 0.992 1699 D CA 1.206 55.181 54.000 -0.041 0.000 0.833 1699 D CB -0.007 40.777 40.800 -0.026 0.000 0.954 1699 D HN 0.369 nan 8.370 nan 0.000 0.455 1700 E N 0.112 120.247 120.200 -0.108 0.000 2.077 1700 E HA -0.184 4.164 4.350 -0.003 0.000 0.193 1700 E C 1.966 178.474 176.600 -0.154 0.000 0.989 1700 E CA 0.800 57.123 56.400 -0.128 0.000 0.800 1700 E CB 0.213 29.826 29.700 -0.146 0.000 0.746 1700 E HN 0.132 nan 8.360 nan 0.000 0.452 1701 Q N -0.139 119.504 119.800 -0.261 0.000 2.135 1701 Q HA -0.163 4.175 4.340 -0.003 0.000 0.204 1701 Q C 2.075 178.119 176.000 0.072 0.000 0.981 1701 Q CA 1.401 57.092 55.803 -0.186 0.000 0.856 1701 Q CB -0.333 28.186 28.738 -0.364 0.000 0.902 1701 Q HN 0.348 nan 8.270 nan 0.000 0.425 1702 A N 1.353 124.268 122.820 0.158 0.000 1.873 1702 A HA -0.173 4.146 4.320 -0.003 0.000 0.215 1702 A C 1.745 179.312 177.584 -0.029 0.000 1.186 1702 A CA 1.638 53.700 52.037 0.041 0.000 0.616 1702 A CB -0.374 18.505 19.000 -0.202 0.000 0.823 1702 A HN 0.202 nan 8.150 nan 0.000 0.442 1703 D N -0.774 119.600 120.400 -0.044 0.000 2.178 1703 D HA -0.172 4.466 4.640 -0.003 0.000 0.201 1703 D C 1.990 178.272 176.300 -0.031 0.000 0.980 1703 D CA 1.392 55.366 54.000 -0.044 0.000 0.842 1703 D CB -0.403 40.371 40.800 -0.044 0.000 0.948 1703 D HN 0.705 nan 8.370 nan 0.000 0.472 1704 Q N 0.241 120.023 119.800 -0.030 0.000 2.234 1704 Q HA -0.152 4.186 4.340 -0.003 0.000 0.206 1704 Q C 0.852 176.844 176.000 -0.012 0.000 0.980 1704 Q CA 1.191 56.980 55.803 -0.025 0.000 0.869 1704 Q CB 0.164 28.880 28.738 -0.036 0.000 0.912 1704 Q HN 0.021 nan 8.270 nan 0.000 0.436 1705 R N -0.017 120.481 120.500 -0.003 0.000 2.546 1705 R HA 0.112 4.450 4.340 -0.003 0.000 0.320 1705 R C -0.176 176.116 176.300 -0.014 0.000 1.021 1705 R CA 0.190 56.291 56.100 0.001 0.000 1.088 1705 R CB 0.628 30.944 30.300 0.027 0.000 1.278 1705 R HN 0.217 nan 8.270 nan 0.000 0.557 1706 Q N -0.882 118.904 119.800 -0.024 0.000 2.393 1706 Q HA -0.247 4.091 4.340 -0.003 0.000 0.235 1706 Q C -0.191 175.779 176.000 -0.048 0.000 0.823 1706 Q CA 1.062 56.845 55.803 -0.033 0.000 1.284 1706 Q CB -2.469 26.255 28.738 -0.025 0.000 1.669 1706 Q HN 0.488 nan 8.270 nan 0.000 0.597 1707 I N 1.764 122.298 120.570 -0.061 0.000 2.573 1707 I HA -0.031 4.137 4.170 -0.003 0.000 0.295 1707 I C 1.544 177.584 176.117 -0.128 0.000 1.141 1707 I CA 0.608 61.847 61.300 -0.102 0.000 1.364 1707 I CB 0.396 38.309 38.000 -0.144 0.000 1.447 1707 I HN 0.143 nan 8.210 nan 0.000 0.571 1708 S N 3.760 119.399 115.700 -0.102 0.000 2.470 1708 S HA -0.074 4.394 4.470 -0.003 0.000 0.222 1708 S C 0.875 175.410 174.600 -0.107 0.000 1.024 1708 S CA -0.110 58.035 58.200 -0.093 0.000 0.931 1708 S CB -0.024 63.138 63.200 -0.063 0.000 0.791 1708 S HN 0.735 nan 8.310 nan 0.000 0.513 1709 D N 2.552 122.882 120.400 -0.117 0.000 2.554 1709 D HA 0.035 4.673 4.640 -0.003 0.000 0.251 1709 D C -1.597 174.616 176.300 -0.144 0.000 1.213 1709 D CA -1.304 52.625 54.000 -0.118 0.000 0.900 1709 D CB 1.135 41.864 40.800 -0.118 0.000 1.135 1709 D HN 0.153 nan 8.370 nan 0.000 0.522 1710 P HA -0.120 nan 4.420 nan 0.000 0.216 1710 P C 0.683 177.928 177.300 -0.092 0.000 1.150 1710 P CA 0.837 63.885 63.100 -0.086 0.000 0.837 1710 P CB 0.258 31.929 31.700 -0.048 0.000 0.786 1711 D N -1.263 119.070 120.400 -0.112 0.000 2.218 1711 D HA -0.096 4.542 4.640 -0.003 0.000 0.204 1711 D C 1.885 178.098 176.300 -0.144 0.000 0.976 1711 D CA 0.733 54.667 54.000 -0.111 0.000 0.853 1711 D CB -0.609 40.126 40.800 -0.109 0.000 0.939 1711 D HN 0.020 nan 8.370 nan 0.000 0.481 1712 V N 1.535 121.287 119.914 -0.270 0.000 2.255 1712 V HA -0.221 3.897 4.120 -0.003 0.000 0.243 1712 V C 2.486 178.105 176.094 -0.792 0.000 1.038 1712 V CA 1.983 63.968 62.300 -0.526 0.000 1.008 1712 V CB -0.557 30.887 31.823 -0.632 0.000 0.645 1712 V HN 0.254 nan 8.190 nan 0.000 0.449 1713 R N -0.253 119.851 120.500 -0.659 0.000 2.115 1713 R HA -0.192 4.146 4.340 -0.003 0.000 0.230 1713 R C 2.355 178.455 176.300 -0.333 0.000 1.111 1713 R CA 1.763 57.537 56.100 -0.543 0.000 0.976 1713 R CB -1.024 29.048 30.300 -0.381 0.000 0.870 1713 R HN 0.595 nan 8.270 nan 0.000 0.445 1714 H N 1.303 120.202 119.070 -0.284 0.000 2.319 1714 H HA -0.091 4.463 4.556 -0.003 0.000 0.297 1714 H C 1.225 176.491 175.328 -0.104 0.000 1.097 1714 H CA 2.427 58.384 56.048 -0.152 0.000 1.285 1714 H CB -0.067 29.708 29.762 0.021 0.000 1.368 1714 H HN 0.263 nan 8.280 nan 0.000 0.495 1715 T N 0.419 115.040 114.554 0.111 0.000 2.777 1715 T HA -0.151 4.197 4.350 -0.003 0.000 0.266 1715 T C 1.821 176.638 174.700 0.194 0.000 1.040 1715 T CA 1.178 63.373 62.100 0.159 0.000 1.141 1715 T CB -0.326 68.615 68.868 0.122 0.000 0.868 1715 T HN 0.399 nan 8.240 nan 0.000 0.444 1716 W N 2.063 123.316 121.300 -0.077 0.000 2.335 1716 W HA 0.019 4.677 4.660 -0.003 0.000 0.311 1716 W C 2.258 178.684 176.519 -0.155 0.000 1.213 1716 W CA 0.416 57.705 57.345 -0.094 0.000 1.274 1716 W CB -0.952 28.438 29.460 -0.116 0.000 1.148 1716 W HN 0.314 nan 8.180 nan 0.000 0.498 1717 K N -0.073 120.227 120.400 -0.167 0.000 2.025 1717 K HA -0.108 4.210 4.320 -0.003 0.000 0.207 1717 K C 2.238 178.747 176.600 -0.151 0.000 1.049 1717 K CA 1.849 57.806 56.287 -0.549 0.000 0.933 1717 K CB -0.588 30.929 32.500 -1.638 0.000 0.714 1717 K HN -0.108 nan 8.250 nan 0.000 0.438 1718 S N 1.366 117.033 115.700 -0.056 0.000 2.353 1718 S HA -0.138 4.330 4.470 -0.003 0.000 0.222 1718 S C 1.649 176.382 174.600 0.222 0.000 1.035 1718 S CA 1.476 59.796 58.200 0.200 0.000 1.025 1718 S CB -0.394 62.922 63.200 0.193 0.000 0.902 1718 S HN 0.287 nan 8.310 nan 0.000 0.440 1719 N N 0.866 119.678 118.700 0.185 0.000 2.149 1719 N HA -0.072 4.666 4.740 -0.003 0.000 0.188 1719 N C 1.726 177.359 175.510 0.205 0.000 1.019 1719 N CA 1.117 54.277 53.050 0.184 0.000 0.857 1719 N CB -0.789 37.796 38.487 0.164 0.000 0.997 1719 N HN 0.395 nan 8.380 nan 0.000 0.426 1720 C N -0.520 118.918 119.300 0.231 0.000 2.475 1720 C HA 0.149 4.608 4.460 -0.003 0.000 0.279 1720 C C 2.381 177.596 174.990 0.374 0.000 1.322 1720 C CA -0.055 59.150 59.018 0.311 0.000 1.734 1720 C CB -0.763 27.201 27.740 0.373 0.000 2.005 1720 C HN 0.375 nan 8.230 nan 0.000 0.495 1721 L N 1.063 122.482 121.223 0.328 0.000 2.924 1721 L HA 0.308 4.646 4.340 -0.003 0.000 0.172 1721 L C -1.074 176.022 176.870 0.375 0.000 1.292 1721 L CA 0.913 55.858 54.840 0.176 0.000 0.870 1721 L CB -1.404 40.713 42.059 0.098 0.000 1.305 1721 L HN -0.107 nan 8.230 nan 0.000 0.535 1722 P HA -0.145 nan 4.420 nan 0.000 0.217 1722 P C 1.879 179.552 177.300 0.621 0.000 1.150 1722 P CA 1.706 65.279 63.100 0.788 0.000 0.832 1722 P CB 0.022 32.137 31.700 0.693 0.000 0.787 1723 L N -1.641 119.830 121.223 0.413 0.000 2.552 1723 L HA 0.014 4.352 4.340 -0.003 0.000 0.227 1723 L C 2.653 179.672 176.870 0.248 0.000 1.146 1723 L CA 0.690 55.716 54.840 0.311 0.000 0.858 1723 L CB -0.330 41.867 42.059 0.229 0.000 0.969 1723 L HN -0.041 nan 8.230 nan 0.000 0.451 1724 R N -1.504 119.149 120.500 0.255 0.000 2.207 1724 R HA 0.071 4.409 4.340 -0.003 0.000 0.180 1724 R C 2.004 178.403 176.300 0.165 0.000 1.445 1724 R CA 0.182 56.396 56.100 0.190 0.000 1.217 1724 R CB -0.727 29.687 30.300 0.190 0.000 1.135 1724 R HN -0.024 nan 8.270 nan 0.000 0.481 1725 F N 0.962 120.923 119.950 0.018 0.000 2.069 1725 F HA -0.203 4.322 4.527 -0.003 0.000 0.298 1725 F C 1.849 177.564 175.800 -0.142 0.000 1.113 1725 F CA 1.728 59.649 58.000 -0.131 0.000 1.214 1725 F CB -0.301 38.502 39.000 -0.327 0.000 0.978 1725 F HN 0.078 nan 8.300 nan 0.000 0.474 1726 W N -0.220 121.096 121.300 0.026 0.000 2.379 1726 W HA -0.110 4.548 4.660 -0.004 0.000 0.307 1726 W C 2.425 178.712 176.519 -0.387 0.000 1.200 1726 W CA 1.203 58.407 57.345 -0.236 0.000 1.297 1726 W CB -0.838 28.573 29.460 -0.082 0.000 1.140 1726 W HN -0.237 nan 8.180 nan 0.000 0.507 1727 V N 0.853 120.796 119.914 0.048 0.000 2.380 1727 V HA -0.373 3.745 4.120 -0.003 0.000 0.251 1727 V C 1.976 178.026 176.094 -0.075 0.000 1.063 1727 V CA 2.279 64.565 62.300 -0.023 0.000 1.055 1727 V CB -1.064 30.845 31.823 0.143 0.000 0.657 1727 V HN 0.264 nan 8.190 nan 0.000 0.455 1728 N N 0.553 119.203 118.700 -0.084 0.000 2.142 1728 N HA -0.145 4.593 4.740 -0.003 0.000 0.186 1728 N C 1.694 177.114 175.510 -0.151 0.000 1.023 1728 N CA 1.891 54.891 53.050 -0.084 0.000 0.852 1728 N CB -0.216 38.245 38.487 -0.043 0.000 0.998 1728 N HN 0.451 nan 8.380 nan 0.000 0.424 1729 V N -1.511 118.253 119.914 -0.250 0.000 2.719 1729 V HA 0.030 4.148 4.120 -0.003 0.000 0.252 1729 V C 2.084 178.097 176.094 -0.135 0.000 1.065 1729 V CA 1.038 63.217 62.300 -0.201 0.000 1.086 1729 V CB -0.676 30.991 31.823 -0.259 0.000 0.700 1729 V HN 0.205 nan 8.190 nan 0.000 0.467 1730 I N 0.414 120.902 120.570 -0.136 0.000 2.252 1730 I HA -0.179 3.989 4.170 -0.003 0.000 0.245 1730 I C 2.751 178.810 176.117 -0.098 0.000 1.102 1730 I CA 1.889 63.124 61.300 -0.110 0.000 1.385 1730 I CB -0.375 37.504 38.000 -0.203 0.000 1.064 1730 I HN 0.246 nan 8.210 nan 0.000 0.414 1731 K N 0.443 120.767 120.400 -0.126 0.000 2.217 1731 K HA -0.008 4.311 4.320 -0.003 0.000 0.202 1731 K C 0.217 176.682 176.600 -0.226 0.000 1.051 1731 K CA 0.766 56.976 56.287 -0.129 0.000 0.952 1731 K CB 0.025 32.464 32.500 -0.102 0.000 0.736 1731 K HN 0.301 nan 8.250 nan 0.000 0.453 1732 N N 0.814 119.304 118.700 -0.349 0.000 2.765 1732 N HA 0.105 4.843 4.740 -0.003 0.000 0.277 1732 N C -2.394 172.821 175.510 -0.492 0.000 1.750 1732 N CA -0.946 51.714 53.050 -0.650 0.000 0.827 1732 N CB 1.384 38.957 38.487 -1.523 0.000 1.200 1732 N HN -0.017 nan 8.380 nan 0.000 0.494 1733 P HA -0.185 nan 4.420 nan 0.000 0.221 1733 P C 1.302 178.565 177.300 -0.061 0.000 1.145 1733 P CA 1.179 64.250 63.100 -0.050 0.000 0.795 1733 P CB 0.377 32.105 31.700 0.046 0.000 0.775 1734 Q N -1.045 118.647 119.800 -0.180 0.000 2.515 1734 Q HA -0.076 4.262 4.340 -0.003 0.000 0.212 1734 Q C 1.207 177.282 176.000 0.125 0.000 0.970 1734 Q CA 0.874 56.637 55.803 -0.067 0.000 0.941 1734 Q CB -0.865 27.805 28.738 -0.114 0.000 0.998 1734 Q HN 0.169 nan 8.270 nan 0.000 0.518 1735 F N 0.309 120.229 119.950 -0.050 0.000 2.512 1735 F HA 0.062 4.587 4.527 -0.003 0.000 0.296 1735 F C 2.069 177.889 175.800 0.033 0.000 1.110 1735 F CA -0.105 57.876 58.000 -0.031 0.000 1.446 1735 F CB -0.065 38.889 39.000 -0.077 0.000 1.092 1735 F HN -0.045 nan 8.300 nan 0.000 0.554 1736 V N -2.212 117.730 119.914 0.046 0.000 3.212 1736 V HA 0.079 4.197 4.120 -0.003 0.000 0.244 1736 V C -0.072 175.752 176.094 -0.449 0.000 1.151 1736 V CA 0.510 62.665 62.300 -0.243 0.000 1.119 1736 V CB -0.170 31.203 31.823 -0.749 0.000 0.838 1736 V HN -0.163 nan 8.190 nan 0.000 0.470 1737 F N -0.200 119.791 119.950 0.068 0.000 2.561 1737 F HA 0.533 5.058 4.527 -0.004 0.000 0.321 1737 F C 0.021 175.824 175.800 0.005 0.000 1.065 1737 F CA -1.672 56.304 58.000 -0.041 0.000 0.934 1737 F CB 0.706 39.610 39.000 -0.161 0.000 1.215 1737 F HN -0.221 nan 8.300 nan 0.000 0.471 1738 D N 3.691 124.225 120.400 0.222 0.000 2.498 1738 D HA 0.287 4.925 4.640 -0.003 0.000 0.229 1738 D C -0.584 175.834 176.300 0.196 0.000 1.188 1738 D CA 0.329 54.448 54.000 0.199 0.000 1.028 1738 D CB -0.455 40.456 40.800 0.184 0.000 1.087 1738 D HN 0.518 nan 8.370 nan 0.000 0.510 1739 I N -1.338 119.297 120.570 0.108 0.000 3.191 1739 I HA 0.428 4.596 4.170 -0.003 0.000 0.313 1739 I C -0.949 175.019 176.117 -0.248 0.000 1.193 1739 I CA -1.119 60.159 61.300 -0.036 0.000 0.968 1739 I CB 2.554 40.421 38.000 -0.222 0.000 1.262 1739 I HN 0.022 nan 8.210 nan 0.000 0.456 1740 H N 3.164 121.887 119.070 -0.578 0.000 2.504 1740 H HA 0.355 4.909 4.556 -0.003 0.000 0.322 1740 H C -1.408 173.827 175.328 -0.156 0.000 1.055 1740 H CA -0.641 55.069 56.048 -0.564 0.000 1.231 1740 H CB 1.728 30.901 29.762 -0.981 0.000 1.417 1740 H HN 0.642 nan 8.280 nan 0.000 0.472 1741 K N 6.188 126.252 120.400 -0.561 0.000 2.264 1741 K HA 0.114 4.432 4.320 -0.003 0.000 0.277 1741 K C -0.062 176.230 176.600 -0.513 0.000 1.067 1741 K CA -0.629 55.473 56.287 -0.309 0.000 0.900 1741 K CB 0.386 32.764 32.500 -0.204 0.000 1.124 1741 K HN 0.801 nan 8.250 nan 0.000 0.469 1742 N N 1.733 120.266 118.700 -0.279 0.000 2.379 1742 N HA -0.047 4.691 4.740 -0.003 0.000 0.260 1742 N C 0.738 176.204 175.510 -0.073 0.000 1.254 1742 N CA -0.550 52.419 53.050 -0.135 0.000 0.958 1742 N CB 1.267 39.785 38.487 0.052 0.000 1.208 1742 N HN 0.403 nan 8.380 nan 0.000 0.532 1743 S N 0.126 115.815 115.700 -0.019 0.000 2.359 1743 S HA -0.218 4.250 4.470 -0.003 0.000 0.223 1743 S C 1.763 176.355 174.600 -0.013 0.000 1.039 1743 S CA 1.059 59.252 58.200 -0.011 0.000 1.042 1743 S CB -0.558 62.651 63.200 0.014 0.000 0.915 1743 S HN 0.594 nan 8.310 nan 0.000 0.439 1744 I N 1.397 121.962 120.570 -0.008 0.000 2.315 1744 I HA -0.072 4.096 4.170 -0.003 0.000 0.248 1744 I C 2.283 178.387 176.117 -0.023 0.000 1.117 1744 I CA 1.812 63.105 61.300 -0.010 0.000 1.404 1744 I CB -0.984 37.012 38.000 -0.007 0.000 1.071 1744 I HN 0.292 nan 8.210 nan 0.000 0.419 1745 T N -0.083 114.446 114.554 -0.041 0.000 2.746 1745 T HA -0.228 4.120 4.350 -0.003 0.000 0.267 1745 T C 1.603 176.286 174.700 -0.028 0.000 1.039 1745 T CA 1.866 63.933 62.100 -0.054 0.000 1.142 1745 T CB -0.470 68.355 68.868 -0.072 0.000 0.866 1745 T HN 0.531 nan 8.240 nan 0.000 0.444 1746 D N 1.049 121.429 120.400 -0.033 0.000 2.149 1746 D HA -0.073 4.565 4.640 -0.003 0.000 0.198 1746 D C 2.170 178.459 176.300 -0.018 0.000 0.990 1746 D CA 1.221 55.200 54.000 -0.036 0.000 0.839 1746 D CB -0.247 40.522 40.800 -0.051 0.000 0.948 1746 D HN 0.360 nan 8.370 nan 0.000 0.460 1747 A N -0.440 122.375 122.820 -0.009 0.000 1.898 1747 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 1747 A C 2.550 180.145 177.584 0.018 0.000 1.181 1747 A CA 1.432 53.473 52.037 0.006 0.000 0.620 1747 A CB -0.962 18.044 19.000 0.009 0.000 0.819 1747 A HN 0.521 nan 8.150 nan 0.000 0.442 1748 C N -0.738 118.571 119.300 0.014 0.000 2.429 1748 C HA -0.026 4.432 4.460 -0.003 0.000 0.277 1748 C C 2.596 177.604 174.990 0.030 0.000 1.262 1748 C CA 0.904 59.940 59.018 0.029 0.000 1.733 1748 C CB -1.537 26.210 27.740 0.012 0.000 2.010 1748 C HN 0.617 nan 8.230 nan 0.000 0.483 1749 L N 0.773 122.003 121.223 0.012 0.000 2.131 1749 L HA -0.142 4.196 4.340 -0.003 0.000 0.210 1749 L C 2.619 179.498 176.870 0.016 0.000 1.092 1749 L CA 1.254 56.101 54.840 0.011 0.000 0.759 1749 L CB -0.578 41.478 42.059 -0.004 0.000 0.903 1749 L HN 0.329 nan 8.230 nan 0.000 0.435 1750 S N -0.599 115.111 115.700 0.016 0.000 2.382 1750 S HA -0.142 4.326 4.470 -0.003 0.000 0.228 1750 S C 2.034 176.661 174.600 0.046 0.000 1.027 1750 S CA 1.178 59.394 58.200 0.026 0.000 0.991 1750 S CB -0.172 63.042 63.200 0.023 0.000 0.823 1750 S HN 0.181 nan 8.310 nan 0.000 0.469 1751 V N 1.443 121.391 119.914 0.056 0.000 2.295 1751 V HA -0.136 3.982 4.120 -0.003 0.000 0.246 1751 V C 2.318 178.429 176.094 0.028 0.000 1.049 1751 V CA 1.407 63.752 62.300 0.075 0.000 1.024 1751 V CB -0.802 31.096 31.823 0.125 0.000 0.648 1751 V HN 0.336 nan 8.190 nan 0.000 0.447 1752 V N 0.444 120.372 119.914 0.025 0.000 2.343 1752 V HA -0.276 3.843 4.120 -0.003 0.000 0.247 1752 V C 2.740 178.911 176.094 0.128 0.000 1.051 1752 V CA 2.084 64.396 62.300 0.020 0.000 1.036 1752 V CB -1.208 30.646 31.823 0.051 0.000 0.654 1752 V HN 0.561 nan 8.190 nan 0.000 0.451 1753 A N -0.487 122.387 122.820 0.090 0.000 1.908 1753 A HA -0.311 4.008 4.320 -0.003 0.000 0.218 1753 A C 2.183 179.863 177.584 0.160 0.000 1.181 1753 A CA 2.236 54.335 52.037 0.103 0.000 0.627 1753 A CB -0.549 18.477 19.000 0.043 0.000 0.818 1753 A HN 0.544 nan 8.150 nan 0.000 0.445 1754 Q N -0.347 119.520 119.800 0.112 0.000 2.084 1754 Q HA -0.107 4.231 4.340 -0.003 0.000 0.202 1754 Q C 2.015 178.086 176.000 0.119 0.000 0.978 1754 Q CA 2.520 58.392 55.803 0.114 0.000 0.844 1754 Q CB -0.925 27.871 28.738 0.097 0.000 0.898 1754 Q HN 0.566 nan 8.270 nan 0.000 0.426 1755 T N 0.300 114.898 114.554 0.073 0.000 2.746 1755 T HA -0.139 4.209 4.350 -0.003 0.000 0.267 1755 T C 1.331 176.104 174.700 0.122 0.000 1.039 1755 T CA 1.306 63.435 62.100 0.048 0.000 1.142 1755 T CB -0.568 68.152 68.868 -0.248 0.000 0.866 1755 T HN 0.392 nan 8.240 nan 0.000 0.444 1756 F N 1.500 121.432 119.950 -0.031 0.000 2.095 1756 F HA -0.147 4.378 4.527 -0.003 0.000 0.298 1756 F C 2.284 178.010 175.800 -0.122 0.000 1.104 1756 F CA 1.465 59.276 58.000 -0.315 0.000 1.232 1756 F CB -0.340 38.410 39.000 -0.417 0.000 0.987 1756 F HN 0.069 nan 8.300 nan 0.000 0.475 1757 M N 0.006 119.683 119.600 0.128 0.000 2.080 1757 M HA -0.255 4.223 4.480 -0.003 0.000 0.260 1757 M C 1.776 178.086 176.300 0.017 0.000 1.068 1757 M CA 1.972 57.323 55.300 0.085 0.000 1.109 1757 M CB -0.675 32.014 32.600 0.148 0.000 1.342 1757 M HN 0.051 nan 8.290 nan 0.000 0.405 1758 D N 0.149 120.581 120.400 0.054 0.000 2.149 1758 D HA -0.110 4.528 4.640 -0.003 0.000 0.198 1758 D C 2.050 178.340 176.300 -0.018 0.000 0.990 1758 D CA 1.343 55.390 54.000 0.078 0.000 0.839 1758 D CB -0.310 40.592 40.800 0.170 0.000 0.948 1758 D HN 0.256 nan 8.370 nan 0.000 0.460 1759 S N -0.479 115.159 115.700 -0.102 0.000 2.447 1759 S HA -0.098 4.370 4.470 -0.003 0.000 0.233 1759 S C 1.948 176.418 174.600 -0.215 0.000 1.006 1759 S CA 0.403 58.501 58.200 -0.170 0.000 0.957 1759 S CB -0.053 63.002 63.200 -0.241 0.000 0.773 1759 S HN 0.379 nan 8.310 nan 0.000 0.507 1760 C N 1.145 120.333 119.300 -0.186 0.000 2.696 1760 C HA 0.335 4.793 4.460 -0.003 0.000 0.264 1760 C C 1.480 176.556 174.990 0.143 0.000 1.288 1760 C CA -0.749 58.226 59.018 -0.072 0.000 1.717 1760 C CB -1.113 26.591 27.740 -0.061 0.000 1.893 1760 C HN 0.455 nan 8.230 nan 0.000 0.577 1761 S N 0.959 116.707 115.700 0.080 0.000 2.610 1761 S HA 0.262 4.730 4.470 -0.003 0.000 0.273 1761 S C 1.367 175.981 174.600 0.025 0.000 1.274 1761 S CA 0.164 58.421 58.200 0.096 0.000 1.023 1761 S CB 0.906 64.152 63.200 0.077 0.000 0.962 1761 S HN 0.598 nan 8.310 nan 0.000 0.523 1762 T N 0.700 115.240 114.554 -0.024 0.000 3.067 1762 T HA 0.139 4.487 4.350 -0.003 0.000 0.257 1762 T C 1.020 175.682 174.700 -0.062 0.000 1.105 1762 T CA 0.246 62.261 62.100 -0.143 0.000 1.104 1762 T CB -0.161 68.598 68.868 -0.182 0.000 0.925 1762 T HN 0.434 nan 8.240 nan 0.000 0.498 1763 S N 2.266 117.963 115.700 -0.006 0.000 2.573 1763 S HA 0.172 4.640 4.470 -0.003 0.000 0.277 1763 S C 0.043 174.663 174.600 0.032 0.000 1.346 1763 S CA -0.714 57.495 58.200 0.014 0.000 1.034 1763 S CB 0.250 63.471 63.200 0.035 0.000 0.879 1763 S HN 0.633 nan 8.310 nan 0.000 0.528 1764 E N 2.514 122.731 120.200 0.029 0.000 2.366 1764 E HA 0.205 4.553 4.350 -0.003 0.000 0.266 1764 E C -0.334 176.323 176.600 0.095 0.000 1.051 1764 E CA -0.140 56.289 56.400 0.048 0.000 0.884 1764 E CB 0.208 29.920 29.700 0.021 0.000 1.006 1764 E HN 0.624 nan 8.360 nan 0.000 0.417 1765 H N 1.474 120.539 119.070 -0.008 0.000 2.741 1765 H HA 0.351 4.906 4.556 -0.003 0.000 0.282 1765 H C -0.375 174.955 175.328 0.003 0.000 1.122 1765 H CA -0.492 55.557 56.048 0.003 0.000 1.293 1765 H CB 0.262 30.027 29.762 0.005 0.000 1.415 1765 H HN 0.608 nan 8.280 nan 0.000 0.472 1766 R N 4.583 125.036 120.500 -0.079 0.000 2.408 1766 R HA 0.149 4.487 4.340 -0.003 0.000 0.308 1766 R C -0.487 175.777 176.300 -0.061 0.000 1.210 1766 R CA -0.683 55.389 56.100 -0.047 0.000 1.115 1766 R CB -0.495 29.779 30.300 -0.043 0.000 1.127 1766 R HN 0.416 nan 8.270 nan 0.000 0.523 1767 L N 2.206 123.422 121.223 -0.012 0.000 2.410 1767 L HA 0.691 5.030 4.340 -0.003 0.000 0.273 1767 L C 0.694 177.562 176.870 -0.003 0.000 1.144 1767 L CA 0.112 54.953 54.840 0.002 0.000 0.863 1767 L CB 1.101 43.186 42.059 0.043 0.000 1.140 1767 L HN 0.769 nan 8.230 nan 0.000 0.463 1768 G N 2.196 110.992 108.800 -0.006 0.000 2.660 1768 G HA2 0.465 4.424 3.960 -0.003 0.000 0.290 1768 G HA3 0.465 4.424 3.960 -0.003 0.000 0.290 1768 G C 0.028 174.930 174.900 0.003 0.000 1.432 1768 G CA -0.030 45.069 45.100 -0.002 0.000 0.807 1768 G HN 0.668 nan 8.290 nan 0.000 0.485 1769 K N -1.361 119.043 120.400 0.006 0.000 2.063 1769 K HA 0.051 4.369 4.320 -0.003 0.000 0.208 1769 K C 2.036 178.642 176.600 0.010 0.000 1.048 1769 K CA 2.612 58.905 56.287 0.010 0.000 0.928 1769 K CB -1.496 31.009 32.500 0.010 0.000 0.713 1769 K HN 1.119 nan 8.250 nan 0.000 0.442 1770 D N 0.648 121.051 120.400 0.005 0.000 2.378 1770 D HA 0.170 4.808 4.640 -0.003 0.000 0.227 1770 D C 0.985 177.286 176.300 0.002 0.000 1.012 1770 D CA 0.578 54.580 54.000 0.004 0.000 0.905 1770 D CB -0.300 40.500 40.800 0.001 0.000 0.895 1770 D HN 0.484 nan 8.370 nan 0.000 0.532 1771 S N 1.509 117.208 115.700 -0.001 0.000 2.564 1771 S HA 0.439 4.907 4.470 -0.003 0.000 0.278 1771 S C -2.110 172.500 174.600 0.016 0.000 1.333 1771 S CA -0.987 57.208 58.200 -0.007 0.000 1.048 1771 S CB 1.422 64.610 63.200 -0.020 0.000 0.900 1771 S HN 0.287 nan 8.310 nan 0.000 0.505 1772 P HA 0.043 nan 4.420 nan 0.000 0.267 1772 P C 0.874 178.217 177.300 0.072 0.000 1.195 1772 P CA 0.066 63.193 63.100 0.046 0.000 0.773 1772 P CB 0.388 32.118 31.700 0.051 0.000 0.837 1773 S N 1.881 117.629 115.700 0.079 0.000 2.365 1773 S HA -0.208 4.260 4.470 -0.003 0.000 0.225 1773 S C 1.762 176.452 174.600 0.149 0.000 1.039 1773 S CA 1.768 60.026 58.200 0.096 0.000 1.033 1773 S CB -0.936 62.316 63.200 0.088 0.000 0.887 1773 S HN 0.712 nan 8.310 nan 0.000 0.447 1774 N N 1.441 120.250 118.700 0.182 0.000 2.094 1774 N HA -0.209 4.529 4.740 -0.003 0.000 0.191 1774 N C 1.780 177.485 175.510 0.326 0.000 1.023 1774 N CA 2.207 55.428 53.050 0.285 0.000 0.857 1774 N CB -0.850 37.761 38.487 0.207 0.000 1.013 1774 N HN 0.539 nan 8.380 nan 0.000 0.426 1775 K N 1.855 122.405 120.400 0.250 0.000 2.097 1775 K HA 0.041 4.359 4.320 -0.003 0.000 0.206 1775 K C 2.424 179.178 176.600 0.257 0.000 1.049 1775 K CA 1.084 57.563 56.287 0.320 0.000 0.933 1775 K CB -0.980 31.588 32.500 0.112 0.000 0.717 1775 K HN 0.324 nan 8.250 nan 0.000 0.442 1776 L N -0.076 121.242 121.223 0.158 0.000 2.023 1776 L HA -0.051 4.287 4.340 -0.003 0.000 0.205 1776 L C 2.752 179.668 176.870 0.078 0.000 1.073 1776 L CA 1.163 56.065 54.840 0.102 0.000 0.745 1776 L CB -0.233 41.866 42.059 0.067 0.000 0.900 1776 L HN 0.380 nan 8.230 nan 0.000 0.435 1777 L N -1.325 119.944 121.223 0.076 0.000 2.042 1777 L HA -0.274 4.065 4.340 -0.003 0.000 0.210 1777 L C 1.646 178.404 176.870 -0.187 0.000 1.076 1777 L CA 1.597 56.397 54.840 -0.068 0.000 0.749 1777 L CB -0.423 41.584 42.059 -0.086 0.000 0.893 1777 L HN 0.294 nan 8.230 nan 0.000 0.432 1778 Y N -1.432 118.906 120.300 0.063 0.000 2.524 1778 Y HA 0.267 4.815 4.550 -0.003 0.000 0.266 1778 Y C 2.016 177.909 175.900 -0.011 0.000 1.180 1778 Y CA 0.093 58.217 58.100 0.039 0.000 1.244 1778 Y CB -0.185 38.335 38.460 0.101 0.000 1.125 1778 Y HN 0.039 nan 8.280 nan 0.000 0.524 1779 A N 0.578 123.467 122.820 0.115 0.000 1.948 1779 A HA -0.260 4.058 4.320 -0.003 0.000 0.220 1779 A C 2.044 179.612 177.584 -0.026 0.000 1.177 1779 A CA 1.903 53.985 52.037 0.076 0.000 0.636 1779 A CB -0.255 18.807 19.000 0.104 0.000 0.815 1779 A HN 0.411 nan 8.150 nan 0.000 0.449 1780 K N -0.731 119.637 120.400 -0.053 0.000 2.361 1780 K HA 0.022 4.340 4.320 -0.003 0.000 0.196 1780 K C 0.816 177.309 176.600 -0.180 0.000 1.039 1780 K CA 0.856 57.082 56.287 -0.102 0.000 1.001 1780 K CB 0.161 32.605 32.500 -0.092 0.000 0.795 1780 K HN 0.445 nan 8.250 nan 0.000 0.495 1781 D N 0.623 120.908 120.400 -0.193 0.000 2.277 1781 D HA -0.016 4.622 4.640 -0.003 0.000 0.209 1781 D C 1.792 177.749 176.300 -0.571 0.000 0.970 1781 D CA 0.550 54.295 54.000 -0.424 0.000 0.874 1781 D CB 0.221 40.847 40.800 -0.290 0.000 0.982 1781 D HN 0.003 nan 8.370 nan 0.000 0.504 1782 I N 1.877 122.291 120.570 -0.259 0.000 2.151 1782 I HA -0.201 3.967 4.170 -0.003 0.000 0.243 1782 I C -0.581 175.377 176.117 -0.265 0.000 1.080 1782 I CA 1.437 62.614 61.300 -0.206 0.000 1.339 1782 I CB -2.606 35.176 38.000 -0.363 0.000 1.039 1782 I HN -0.033 nan 8.210 nan 0.000 0.409 1783 P HA -0.148 nan 4.420 nan 0.000 0.216 1783 P C 1.363 178.505 177.300 -0.264 0.000 1.153 1783 P CA 1.749 64.722 63.100 -0.213 0.000 0.858 1783 P CB -0.216 31.385 31.700 -0.165 0.000 0.789 1784 N N -1.979 116.483 118.700 -0.396 0.000 2.106 1784 N HA -0.183 4.555 4.740 -0.003 0.000 0.188 1784 N C 1.670 176.729 175.510 -0.752 0.000 1.029 1784 N CA 0.871 53.616 53.050 -0.508 0.000 0.848 1784 N CB -0.605 37.524 38.487 -0.596 0.000 1.007 1784 N HN 0.099 nan 8.380 nan 0.000 0.423 1785 Y N 1.631 121.491 120.300 -0.733 0.000 2.165 1785 Y HA -0.119 4.429 4.550 -0.003 0.000 0.286 1785 Y C 2.135 177.747 175.900 -0.480 0.000 1.155 1785 Y CA 0.785 58.426 58.100 -0.764 0.000 1.164 1785 Y CB -0.483 37.746 38.460 -0.384 0.000 0.978 1785 Y HN -0.011 nan 8.280 nan 0.000 0.513 1786 K N -0.002 120.281 120.400 -0.195 0.000 2.063 1786 K HA -0.199 4.119 4.320 -0.003 0.000 0.208 1786 K C 2.378 178.902 176.600 -0.127 0.000 1.048 1786 K CA 1.833 58.018 56.287 -0.170 0.000 0.928 1786 K CB -0.385 32.032 32.500 -0.139 0.000 0.713 1786 K HN 0.402 nan 8.250 nan 0.000 0.442 1787 S N 0.123 115.761 115.700 -0.103 0.000 2.382 1787 S HA -0.161 4.307 4.470 -0.003 0.000 0.228 1787 S C 1.693 176.385 174.600 0.153 0.000 1.027 1787 S CA 0.689 58.898 58.200 0.015 0.000 0.991 1787 S CB -0.444 62.779 63.200 0.039 0.000 0.823 1787 S HN 0.335 nan 8.310 nan 0.000 0.469 1788 W N 1.715 122.972 121.300 -0.072 0.000 2.358 1788 W HA 0.083 4.742 4.660 -0.003 0.000 0.303 1788 W C 2.557 178.922 176.519 -0.257 0.000 1.208 1788 W CA 0.002 57.298 57.345 -0.082 0.000 1.274 1788 W CB -1.461 27.996 29.460 -0.005 0.000 1.138 1788 W HN 0.200 nan 8.180 nan 0.000 0.515 1789 V N 0.571 120.303 119.914 -0.303 0.000 2.307 1789 V HA -0.271 3.847 4.120 -0.003 0.000 0.245 1789 V C 2.056 177.865 176.094 -0.474 0.000 1.045 1789 V CA 2.142 63.998 62.300 -0.741 0.000 1.024 1789 V CB -0.966 30.315 31.823 -0.903 0.000 0.651 1789 V HN 0.142 nan 8.190 nan 0.000 0.449 1790 E N 0.222 120.339 120.200 -0.138 0.000 2.085 1790 E HA -0.271 4.077 4.350 -0.003 0.000 0.194 1790 E C 2.430 179.065 176.600 0.059 0.000 0.994 1790 E CA 1.530 57.952 56.400 0.037 0.000 0.801 1790 E CB -0.295 29.442 29.700 0.062 0.000 0.743 1790 E HN 0.527 nan 8.360 nan 0.000 0.453 1791 R N 0.251 120.794 120.500 0.072 0.000 2.148 1791 R HA -0.167 4.171 4.340 -0.003 0.000 0.223 1791 R C 2.127 178.523 176.300 0.161 0.000 1.088 1791 R CA 0.947 57.116 56.100 0.115 0.000 0.985 1791 R CB -0.289 30.086 30.300 0.125 0.000 0.880 1791 R HN 0.219 nan 8.270 nan 0.000 0.451 1792 Y N 0.909 121.208 120.300 -0.003 0.000 2.114 1792 Y HA -0.257 4.291 4.550 -0.003 0.000 0.284 1792 Y C 1.676 177.708 175.900 0.220 0.000 1.143 1792 Y CA 1.655 59.802 58.100 0.079 0.000 1.135 1792 Y CB -0.629 37.858 38.460 0.045 0.000 0.980 1792 Y HN 0.014 nan 8.280 nan 0.000 0.499 1793 Y N 0.333 120.730 120.300 0.163 0.000 2.224 1793 Y HA -0.197 4.351 4.550 -0.003 0.000 0.289 1793 Y C 2.789 178.714 175.900 0.042 0.000 1.146 1793 Y CA 1.451 59.587 58.100 0.060 0.000 1.182 1793 Y CB -1.206 37.251 38.460 -0.005 0.000 0.983 1793 Y HN 0.155 nan 8.280 nan 0.000 0.524 1794 R N 0.464 121.089 120.500 0.208 0.000 2.073 1794 R HA -0.162 4.176 4.340 -0.003 0.000 0.234 1794 R C 1.645 178.003 176.300 0.097 0.000 1.134 1794 R CA 2.043 58.222 56.100 0.131 0.000 0.952 1794 R CB -0.243 30.122 30.300 0.109 0.000 0.850 1794 R HN 0.167 nan 8.270 nan 0.000 0.433 1795 D N 0.352 120.806 120.400 0.091 0.000 2.144 1795 D HA -0.127 4.511 4.640 -0.003 0.000 0.199 1795 D C 1.907 178.232 176.300 0.043 0.000 0.984 1795 D CA 1.234 55.274 54.000 0.066 0.000 0.834 1795 D CB -0.101 40.746 40.800 0.079 0.000 0.955 1795 D HN 0.339 nan 8.370 nan 0.000 0.465 1796 I N 0.945 121.528 120.570 0.021 0.000 2.226 1796 I HA -0.258 3.910 4.170 -0.003 0.000 0.245 1796 I C 2.402 178.559 176.117 0.066 0.000 1.100 1796 I CA 1.021 62.329 61.300 0.013 0.000 1.374 1796 I CB -0.224 37.778 38.000 0.002 0.000 1.057 1796 I HN -0.063 nan 8.210 nan 0.000 0.413 1797 A N 0.794 123.667 122.820 0.089 0.000 1.933 1797 A HA -0.214 4.104 4.320 -0.003 0.000 0.218 1797 A C 2.276 179.892 177.584 0.054 0.000 1.175 1797 A CA 1.549 53.631 52.037 0.075 0.000 0.628 1797 A CB -0.427 18.613 19.000 0.066 0.000 0.814 1797 A HN 0.349 nan 8.150 nan 0.000 0.444 1798 K N -0.892 119.538 120.400 0.050 0.000 2.211 1798 K HA 0.033 4.351 4.320 -0.003 0.000 0.203 1798 K C 0.482 177.105 176.600 0.037 0.000 1.050 1798 K CA 0.361 56.672 56.287 0.041 0.000 0.945 1798 K CB -0.238 32.286 32.500 0.040 0.000 0.732 1798 K HN 0.524 nan 8.250 nan 0.000 0.451 1799 M N 1.040 120.663 119.600 0.039 0.000 2.240 1799 M HA 0.039 4.517 4.480 -0.003 0.000 0.317 1799 M C 0.258 176.581 176.300 0.037 0.000 1.087 1799 M CA -0.344 54.977 55.300 0.035 0.000 1.176 1799 M CB 0.469 33.088 32.600 0.031 0.000 1.439 1799 M HN 0.048 nan 8.290 nan 0.000 0.452 1800 A N 2.203 125.044 122.820 0.035 0.000 2.511 1800 A HA 0.242 4.560 4.320 -0.003 0.000 0.242 1800 A C 0.176 177.788 177.584 0.047 0.000 1.069 1800 A CA -0.316 51.744 52.037 0.037 0.000 0.763 1800 A CB -0.045 18.975 19.000 0.033 0.000 1.001 1800 A HN 0.797 nan 8.150 nan 0.000 0.498 1801 S N 1.043 116.774 115.700 0.051 0.000 2.568 1801 S HA 0.207 4.675 4.470 -0.003 0.000 0.282 1801 S C 0.289 174.939 174.600 0.082 0.000 1.338 1801 S CA 0.030 58.271 58.200 0.067 0.000 1.045 1801 S CB 0.094 63.329 63.200 0.059 0.000 0.873 1801 S HN 0.484 nan 8.310 nan 0.000 0.516 1802 I N 2.887 123.530 120.570 0.122 0.000 2.416 1802 I HA 0.105 4.273 4.170 -0.003 0.000 0.288 1802 I C 0.950 177.166 176.117 0.166 0.000 1.051 1802 I CA -0.330 61.055 61.300 0.142 0.000 1.375 1802 I CB 0.714 38.833 38.000 0.198 0.000 1.407 1802 I HN 0.632 nan 8.210 nan 0.000 0.516 1803 S N 3.326 119.097 115.700 0.120 0.000 2.572 1803 S HA 0.041 4.509 4.470 -0.003 0.000 0.279 1803 S C 0.726 175.416 174.600 0.151 0.000 1.341 1803 S CA -0.571 57.699 58.200 0.117 0.000 1.043 1803 S CB 1.142 64.390 63.200 0.080 0.000 0.887 1803 S HN 0.583 nan 8.310 nan 0.000 0.516 1804 D N 1.102 121.596 120.400 0.157 0.000 2.123 1804 D HA -0.154 4.484 4.640 -0.003 0.000 0.196 1804 D C 1.946 178.310 176.300 0.108 0.000 0.992 1804 D CA 1.796 55.897 54.000 0.169 0.000 0.833 1804 D CB -0.318 40.569 40.800 0.145 0.000 0.954 1804 D HN 0.849 nan 8.370 nan 0.000 0.455 1805 Q N 0.176 120.026 119.800 0.083 0.000 2.084 1805 Q HA -0.163 4.176 4.340 -0.003 0.000 0.202 1805 Q C 1.250 177.286 176.000 0.059 0.000 0.978 1805 Q CA 1.432 57.272 55.803 0.062 0.000 0.844 1805 Q CB 0.151 28.919 28.738 0.050 0.000 0.898 1805 Q HN 0.129 nan 8.270 nan 0.000 0.426 1806 D N 0.157 120.596 120.400 0.065 0.000 2.097 1806 D HA -0.176 4.462 4.640 -0.003 0.000 0.195 1806 D C 1.767 178.111 176.300 0.074 0.000 0.989 1806 D CA 1.232 55.269 54.000 0.062 0.000 0.827 1806 D CB -0.178 40.655 40.800 0.054 0.000 0.966 1806 D HN 0.250 nan 8.370 nan 0.000 0.456 1807 M N 0.909 120.548 119.600 0.064 0.000 2.086 1807 M HA -0.142 4.336 4.480 -0.003 0.000 0.261 1807 M C 1.230 177.552 176.300 0.038 0.000 1.067 1807 M CA 1.518 56.829 55.300 0.018 0.000 1.116 1807 M CB -0.350 32.142 32.600 -0.180 0.000 1.348 1807 M HN -0.217 nan 8.290 nan 0.000 0.407 1808 D N -0.045 120.369 120.400 0.024 0.000 2.123 1808 D HA -0.124 4.514 4.640 -0.003 0.000 0.196 1808 D C 1.961 178.274 176.300 0.022 0.000 0.992 1808 D CA 1.856 55.868 54.000 0.020 0.000 0.833 1808 D CB -0.380 40.440 40.800 0.033 0.000 0.954 1808 D HN 0.484 nan 8.370 nan 0.000 0.455 1809 A N -0.106 122.741 122.820 0.044 0.000 1.902 1809 A HA -0.232 4.086 4.320 -0.003 0.000 0.217 1809 A C 2.220 179.834 177.584 0.051 0.000 1.181 1809 A CA 1.586 53.646 52.037 0.039 0.000 0.623 1809 A CB -1.148 17.880 19.000 0.047 0.000 0.818 1809 A HN 0.401 nan 8.150 nan 0.000 0.443 1810 Y N 0.646 120.921 120.300 -0.041 0.000 2.128 1810 Y HA -0.193 4.355 4.550 -0.004 0.000 0.284 1810 Y C 1.901 177.765 175.900 -0.060 0.000 1.154 1810 Y CA 1.919 59.987 58.100 -0.053 0.000 1.149 1810 Y CB -0.486 37.936 38.460 -0.063 0.000 0.976 1810 Y HN 0.210 nan 8.280 nan 0.000 0.505 1811 L N -1.104 119.968 121.223 -0.252 0.000 2.083 1811 L HA -0.210 4.128 4.340 -0.003 0.000 0.209 1811 L C 2.431 179.177 176.870 -0.206 0.000 1.083 1811 L CA 1.082 55.732 54.840 -0.317 0.000 0.752 1811 L CB -0.780 41.208 42.059 -0.119 0.000 0.899 1811 L HN 0.126 nan 8.230 nan 0.000 0.433 1812 V N 0.015 119.860 119.914 -0.115 0.000 2.287 1812 V HA -0.295 3.823 4.120 -0.003 0.000 0.248 1812 V C 2.569 178.591 176.094 -0.119 0.000 1.053 1812 V CA 2.083 64.332 62.300 -0.085 0.000 1.027 1812 V CB -0.430 31.365 31.823 -0.046 0.000 0.646 1812 V HN 0.467 nan 8.190 nan 0.000 0.447 1813 E N -0.118 120.001 120.200 -0.135 0.000 2.077 1813 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 1813 E C 2.243 178.715 176.600 -0.212 0.000 0.989 1813 E CA 1.406 57.720 56.400 -0.143 0.000 0.800 1813 E CB -0.291 29.355 29.700 -0.090 0.000 0.746 1813 E HN 0.497 nan 8.360 nan 0.000 0.452 1814 Q N 0.064 119.682 119.800 -0.304 0.000 2.050 1814 Q HA -0.082 4.256 4.340 -0.003 0.000 0.202 1814 Q C 2.453 178.339 176.000 -0.190 0.000 0.980 1814 Q CA 1.615 57.244 55.803 -0.290 0.000 0.840 1814 Q CB -0.501 27.988 28.738 -0.415 0.000 0.898 1814 Q HN 0.244 nan 8.270 nan 0.000 0.424 1815 S N 0.519 116.126 115.700 -0.154 0.000 2.368 1815 S HA -0.157 4.311 4.470 -0.003 0.000 0.225 1815 S C 1.872 176.407 174.600 -0.109 0.000 1.030 1815 S CA 1.187 59.335 58.200 -0.087 0.000 0.999 1815 S CB -0.146 63.026 63.200 -0.048 0.000 0.844 1815 S HN 0.325 nan 8.310 nan 0.000 0.459 1816 R N 0.831 121.250 120.500 -0.136 0.000 2.081 1816 R HA -0.005 4.333 4.340 -0.003 0.000 0.235 1816 R C 2.201 178.375 176.300 -0.209 0.000 1.131 1816 R CA 1.131 57.146 56.100 -0.141 0.000 0.960 1816 R CB -0.418 29.807 30.300 -0.125 0.000 0.856 1816 R HN 0.359 nan 8.270 nan 0.000 0.436 1817 L N -0.274 120.759 121.223 -0.317 0.000 2.079 1817 L HA -0.192 4.146 4.340 -0.003 0.000 0.210 1817 L C 1.405 177.878 176.870 -0.662 0.000 1.081 1817 L CA 1.161 55.683 54.840 -0.531 0.000 0.752 1817 L CB -0.251 41.357 42.059 -0.752 0.000 0.896 1817 L HN 0.380 nan 8.230 nan 0.000 0.433 1818 H N -1.756 117.148 119.070 -0.277 0.000 2.581 1818 H HA 0.306 4.861 4.556 -0.002 0.000 0.275 1818 H C 1.805 177.009 175.328 -0.208 0.000 1.126 1818 H CA 0.491 56.351 56.048 -0.313 0.000 1.097 1818 H CB 0.448 29.935 29.762 -0.460 0.000 1.626 1818 H HN 0.197 nan 8.280 nan 0.000 0.565 1819 A N 1.306 124.079 122.820 -0.079 0.000 1.948 1819 A HA -0.187 4.131 4.320 -0.003 0.000 0.220 1819 A C 1.686 179.257 177.584 -0.023 0.000 1.177 1819 A CA 1.455 53.471 52.037 -0.035 0.000 0.636 1819 A CB -0.066 18.905 19.000 -0.050 0.000 0.815 1819 A HN 0.287 nan 8.150 nan 0.000 0.449 1820 N N -0.458 118.204 118.700 -0.063 0.000 2.234 1820 N HA 0.058 4.796 4.740 -0.003 0.000 0.227 1820 N C -0.268 175.176 175.510 -0.110 0.000 1.151 1820 N CA 0.091 53.108 53.050 -0.055 0.000 0.865 1820 N CB 0.459 38.916 38.487 -0.050 0.000 1.066 1820 N HN 0.318 nan 8.380 nan 0.000 0.515 1821 D N 0.075 120.336 120.400 -0.232 0.000 2.183 1821 D HA 0.025 4.663 4.640 -0.003 0.000 0.203 1821 D C -0.011 175.950 176.300 -0.566 0.000 0.969 1821 D CA 1.029 54.742 54.000 -0.478 0.000 0.842 1821 D CB 0.219 40.559 40.800 -0.767 0.000 0.957 1821 D HN 0.131 nan 8.370 nan 0.000 0.484 1822 F N -0.080 119.898 119.950 0.047 0.000 2.538 1822 F HA 0.309 4.835 4.527 -0.002 0.000 0.325 1822 F C 0.680 176.510 175.800 0.051 0.000 1.066 1822 F CA -1.448 56.583 58.000 0.052 0.000 0.946 1822 F CB 0.565 39.604 39.000 0.064 0.000 1.199 1822 F HN -0.388 nan 8.300 nan 0.000 0.473 1823 N N 1.395 120.249 118.700 0.257 0.000 2.508 1823 N HA 0.115 4.853 4.740 -0.003 0.000 0.253 1823 N C 0.776 176.382 175.510 0.160 0.000 1.145 1823 N CA 0.164 53.309 53.050 0.159 0.000 0.973 1823 N CB 0.789 39.346 38.487 0.116 0.000 1.305 1823 N HN 0.462 nan 8.380 nan 0.000 0.506 1824 V N 4.170 124.174 119.914 0.150 0.000 2.392 1824 V HA -0.247 3.871 4.120 -0.003 0.000 0.249 1824 V C 2.428 178.589 176.094 0.110 0.000 1.059 1824 V CA 1.303 63.683 62.300 0.132 0.000 1.051 1824 V CB -0.467 31.424 31.823 0.113 0.000 0.658 1824 V HN 0.640 nan 8.190 nan 0.000 0.455 1825 L N -0.267 121.011 121.223 0.091 0.000 2.042 1825 L HA -0.204 4.134 4.340 -0.003 0.000 0.210 1825 L C 2.651 179.577 176.870 0.094 0.000 1.076 1825 L CA 1.883 56.771 54.840 0.081 0.000 0.749 1825 L CB -0.482 41.610 42.059 0.054 0.000 0.893 1825 L HN 0.369 nan 8.230 nan 0.000 0.432 1826 S N -0.327 115.427 115.700 0.090 0.000 2.368 1826 S HA -0.177 4.291 4.470 -0.003 0.000 0.225 1826 S C 2.109 176.780 174.600 0.118 0.000 1.030 1826 S CA 1.210 59.459 58.200 0.081 0.000 0.999 1826 S CB -0.255 62.984 63.200 0.065 0.000 0.844 1826 S HN 0.540 nan 8.310 nan 0.000 0.459 1827 A N 1.390 124.297 122.820 0.146 0.000 1.902 1827 A HA -0.040 4.278 4.320 -0.003 0.000 0.217 1827 A C 2.024 179.750 177.584 0.236 0.000 1.181 1827 A CA 1.164 53.313 52.037 0.187 0.000 0.623 1827 A CB -0.662 18.439 19.000 0.169 0.000 0.818 1827 A HN 0.366 nan 8.150 nan 0.000 0.443 1828 L N 0.831 122.184 121.223 0.218 0.000 2.046 1828 L HA -0.164 4.174 4.340 -0.003 0.000 0.208 1828 L C 3.042 180.143 176.870 0.386 0.000 1.077 1828 L CA 2.487 57.516 54.840 0.315 0.000 0.747 1828 L CB -1.176 41.023 42.059 0.235 0.000 0.896 1828 L HN 0.628 nan 8.230 nan 0.000 0.432 1829 S N -1.396 114.449 115.700 0.242 0.000 2.368 1829 S HA -0.166 4.302 4.470 -0.003 0.000 0.225 1829 S C 1.735 176.493 174.600 0.264 0.000 1.030 1829 S CA 0.942 59.266 58.200 0.206 0.000 0.999 1829 S CB -0.480 62.784 63.200 0.107 0.000 0.844 1829 S HN 0.452 nan 8.310 nan 0.000 0.459 1830 E N 1.434 121.774 120.200 0.233 0.000 2.085 1830 E HA -0.056 4.292 4.350 -0.003 0.000 0.194 1830 E C 2.162 179.006 176.600 0.408 0.000 0.994 1830 E CA 0.932 57.475 56.400 0.238 0.000 0.801 1830 E CB -0.504 29.311 29.700 0.192 0.000 0.743 1830 E HN 0.485 nan 8.360 nan 0.000 0.453 1831 L N 0.075 121.600 121.223 0.502 0.000 2.093 1831 L HA -0.185 4.153 4.340 -0.003 0.000 0.208 1831 L C 2.487 179.764 176.870 0.678 0.000 1.085 1831 L CA 1.111 56.363 54.840 0.686 0.000 0.755 1831 L CB -0.329 42.147 42.059 0.696 0.000 0.904 1831 L HN 0.169 nan 8.230 nan 0.000 0.435 1832 Y N -0.408 120.091 120.300 0.331 0.000 2.315 1832 Y HA -0.361 4.187 4.550 -0.003 0.000 0.288 1832 Y C 2.300 178.237 175.900 0.062 0.000 1.154 1832 Y CA 1.523 59.584 58.100 -0.065 0.000 1.229 1832 Y CB -0.293 38.030 38.460 -0.227 0.000 0.980 1832 Y HN 0.226 nan 8.280 nan 0.000 0.540 1833 F N -0.038 119.921 119.950 0.016 0.000 2.115 1833 F HA -0.374 4.151 4.527 -0.003 0.000 0.300 1833 F C 1.430 177.088 175.800 -0.237 0.000 1.092 1833 F CA 1.970 59.870 58.000 -0.166 0.000 1.245 1833 F CB -0.863 37.995 39.000 -0.237 0.000 0.995 1833 F HN 0.108 nan 8.300 nan 0.000 0.481 1834 Y N -0.771 119.573 120.300 0.072 0.000 2.395 1834 Y HA -0.077 4.471 4.550 -0.003 0.000 0.293 1834 Y C 2.388 178.328 175.900 0.067 0.000 1.123 1834 Y CA 1.055 59.221 58.100 0.110 0.000 1.227 1834 Y CB -0.899 37.805 38.460 0.407 0.000 1.012 1834 Y HN -0.077 nan 8.280 nan 0.000 0.552 1835 V N -0.128 119.802 119.914 0.026 0.000 2.287 1835 V HA -0.326 3.792 4.120 -0.003 0.000 0.248 1835 V C 2.388 178.298 176.094 -0.307 0.000 1.053 1835 V CA 2.584 64.781 62.300 -0.171 0.000 1.027 1835 V CB -1.235 30.168 31.823 -0.699 0.000 0.646 1835 V HN 0.597 nan 8.190 nan 0.000 0.447 1836 T N -1.805 112.414 114.554 -0.558 0.000 2.942 1836 T HA -0.185 4.163 4.350 -0.003 0.000 0.265 1836 T C 1.840 176.301 174.700 -0.397 0.000 1.062 1836 T CA 1.370 63.207 62.100 -0.438 0.000 1.139 1836 T CB -0.230 68.385 68.868 -0.421 0.000 0.883 1836 T HN 0.438 nan 8.240 nan 0.000 0.468 1837 K N 0.253 120.314 120.400 -0.565 0.000 2.148 1837 K HA -0.052 4.266 4.320 -0.003 0.000 0.204 1837 K C 0.321 176.483 176.600 -0.731 0.000 1.050 1837 K CA 0.978 56.832 56.287 -0.722 0.000 0.942 1837 K CB -0.030 31.862 32.500 -1.013 0.000 0.724 1837 K HN 0.516 nan 8.250 nan 0.000 0.446 1838 Y N -0.147 120.076 120.300 -0.128 0.000 2.716 1838 Y HA 0.283 4.831 4.550 -0.003 0.000 0.260 1838 Y C 1.289 177.157 175.900 -0.053 0.000 1.141 1838 Y CA -0.665 57.394 58.100 -0.068 0.000 1.168 1838 Y CB 0.308 38.736 38.460 -0.054 0.000 1.189 1838 Y HN -0.035 nan 8.280 nan 0.000 0.549 1839 R N 0.645 121.140 120.500 -0.010 0.000 2.136 1839 R HA -0.317 4.021 4.340 -0.003 0.000 0.242 1839 R C 1.613 177.931 176.300 0.029 0.000 1.131 1839 R CA 2.703 58.796 56.100 -0.012 0.000 0.937 1839 R CB -0.000 30.262 30.300 -0.062 0.000 0.863 1839 R HN 0.485 nan 8.270 nan 0.000 0.435 1840 Q N -0.520 119.292 119.800 0.020 0.000 2.079 1840 Q HA -0.183 4.156 4.340 -0.003 0.000 0.200 1840 Q C 2.036 178.061 176.000 0.041 0.000 0.974 1840 Q CA 1.993 57.812 55.803 0.026 0.000 0.840 1840 Q CB 0.063 28.809 28.738 0.014 0.000 0.898 1840 Q HN 0.400 nan 8.270 nan 0.000 0.430 1841 E N 0.330 120.566 120.200 0.061 0.000 2.051 1841 E HA -0.181 4.167 4.350 -0.003 0.000 0.192 1841 E C 1.866 178.487 176.600 0.035 0.000 0.991 1841 E CA 1.011 57.439 56.400 0.047 0.000 0.799 1841 E CB -0.143 29.593 29.700 0.060 0.000 0.748 1841 E HN 0.242 nan 8.360 nan 0.000 0.449 1842 I N 0.675 121.282 120.570 0.062 0.000 2.099 1842 I HA -0.274 3.894 4.170 -0.003 0.000 0.239 1842 I C 2.375 178.531 176.117 0.065 0.000 1.066 1842 I CA 1.431 62.773 61.300 0.070 0.000 1.324 1842 I CB -1.275 36.811 38.000 0.144 0.000 1.037 1842 I HN 0.155 nan 8.210 nan 0.000 0.401 1843 L N 0.168 121.435 121.223 0.072 0.000 2.079 1843 L HA -0.238 4.100 4.340 -0.003 0.000 0.210 1843 L C 2.617 179.518 176.870 0.052 0.000 1.081 1843 L CA 1.648 56.530 54.840 0.070 0.000 0.752 1843 L CB -0.997 41.097 42.059 0.058 0.000 0.896 1843 L HN 0.286 nan 8.230 nan 0.000 0.433 1844 T N -1.136 113.441 114.554 0.038 0.000 2.708 1844 T HA -0.161 4.187 4.350 -0.003 0.000 0.266 1844 T C 2.148 176.861 174.700 0.023 0.000 1.037 1844 T CA 1.686 63.802 62.100 0.026 0.000 1.146 1844 T CB -0.104 68.775 68.868 0.018 0.000 0.865 1844 T HN 0.279 nan 8.240 nan 0.000 0.435 1845 S N 1.342 117.052 115.700 0.017 0.000 2.382 1845 S HA 0.044 4.512 4.470 -0.003 0.000 0.228 1845 S C 2.016 176.630 174.600 0.024 0.000 1.027 1845 S CA 0.820 59.025 58.200 0.008 0.000 0.991 1845 S CB -0.444 62.749 63.200 -0.012 0.000 0.823 1845 S HN 0.365 nan 8.310 nan 0.000 0.469 1846 L N 1.111 122.360 121.223 0.043 0.000 2.201 1846 L HA -0.103 4.235 4.340 -0.003 0.000 0.212 1846 L C 2.264 179.174 176.870 0.067 0.000 1.105 1846 L CA 0.999 55.882 54.840 0.072 0.000 0.775 1846 L CB -0.404 41.726 42.059 0.117 0.000 0.913 1846 L HN 0.238 nan 8.230 nan 0.000 0.440 1847 D N 0.025 120.455 120.400 0.051 0.000 2.213 1847 D HA -0.140 4.498 4.640 -0.003 0.000 0.205 1847 D C 2.260 178.579 176.300 0.031 0.000 0.961 1847 D CA 0.707 54.732 54.000 0.041 0.000 0.853 1847 D CB 0.323 41.144 40.800 0.034 0.000 0.967 1847 D HN 0.215 nan 8.370 nan 0.000 0.496 1848 R N 0.531 121.047 120.500 0.026 0.000 2.080 1848 R HA -0.059 4.279 4.340 -0.003 0.000 0.222 1848 R C 0.141 176.452 176.300 0.019 0.000 1.107 1848 R CA 0.359 56.470 56.100 0.017 0.000 0.980 1848 R CB -0.112 30.193 30.300 0.009 0.000 0.879 1848 R HN -0.097 nan 8.270 nan 0.000 0.439 1849 D N 0.102 120.518 120.400 0.026 0.000 2.417 1849 D HA 0.065 4.703 4.640 -0.003 0.000 0.250 1849 D C 0.726 177.050 176.300 0.039 0.000 1.166 1849 D CA 0.515 54.533 54.000 0.030 0.000 0.881 1849 D CB 1.715 42.538 40.800 0.038 0.000 1.164 1849 D HN 0.332 nan 8.370 nan 0.000 0.467 1850 A N 3.242 126.082 122.820 0.032 0.000 1.902 1850 A HA -0.179 4.140 4.320 -0.003 0.000 0.217 1850 A C 2.174 179.783 177.584 0.043 0.000 1.181 1850 A CA 2.047 54.101 52.037 0.029 0.000 0.623 1850 A CB -0.877 18.135 19.000 0.020 0.000 0.818 1850 A HN 0.671 nan 8.150 nan 0.000 0.443 1851 S N -1.120 114.620 115.700 0.068 0.000 2.402 1851 S HA -0.169 4.299 4.470 -0.003 0.000 0.229 1851 S C 1.875 176.582 174.600 0.179 0.000 1.021 1851 S CA 1.277 59.546 58.200 0.116 0.000 0.974 1851 S CB -1.224 62.056 63.200 0.133 0.000 0.800 1851 S HN 0.560 nan 8.310 nan 0.000 0.484 1852 C N 1.867 121.252 119.300 0.142 0.000 2.435 1852 C HA 0.145 4.603 4.460 -0.003 0.000 0.279 1852 C C 3.033 178.107 174.990 0.139 0.000 1.321 1852 C CA 0.446 59.564 59.018 0.166 0.000 1.752 1852 C CB -1.182 26.635 27.740 0.129 0.000 1.959 1852 C HN 0.608 nan 8.230 nan 0.000 0.500 1853 R N 0.908 121.457 120.500 0.081 0.000 2.073 1853 R HA -0.084 4.255 4.340 -0.003 0.000 0.229 1853 R C 2.218 178.520 176.300 0.003 0.000 1.120 1853 R CA 0.961 57.088 56.100 0.046 0.000 0.967 1853 R CB -0.318 29.997 30.300 0.026 0.000 0.862 1853 R HN 0.556 nan 8.270 nan 0.000 0.436 1854 K N -0.063 120.307 120.400 -0.050 0.000 2.189 1854 K HA -0.203 4.115 4.320 -0.003 0.000 0.207 1854 K C 0.788 177.160 176.600 -0.379 0.000 1.046 1854 K CA 1.696 57.841 56.287 -0.236 0.000 0.928 1854 K CB -0.153 32.142 32.500 -0.342 0.000 0.720 1854 K HN 0.421 nan 8.250 nan 0.000 0.458 1855 H N -0.196 118.901 119.070 0.045 0.000 2.512 1855 H HA 0.121 4.676 4.556 -0.003 0.000 0.276 1855 H C -0.666 174.688 175.328 0.044 0.000 1.126 1855 H CA -0.247 55.826 56.048 0.043 0.000 1.060 1855 H CB 0.367 30.159 29.762 0.051 0.000 1.646 1855 H HN 0.096 nan 8.280 nan 0.000 0.571 1856 K N 0.705 121.167 120.400 0.103 0.000 3.311 1856 K HA -0.261 4.057 4.320 -0.003 0.000 0.270 1856 K C -0.316 176.347 176.600 0.106 0.000 0.927 1856 K CA 0.568 56.905 56.287 0.084 0.000 0.706 1856 K CB -1.971 30.562 32.500 0.055 0.000 1.418 1856 K HN 0.460 nan 8.250 nan 0.000 0.459 1857 L N -0.544 120.765 121.223 0.143 0.000 2.141 1857 L HA -0.136 4.202 4.340 -0.003 0.000 0.209 1857 L C 2.822 179.785 176.870 0.156 0.000 1.094 1857 L CA 1.625 56.566 54.840 0.168 0.000 0.763 1857 L CB -0.468 41.748 42.059 0.262 0.000 0.908 1857 L HN 0.531 nan 8.230 nan 0.000 0.437 1858 R N 1.045 121.624 120.500 0.132 0.000 2.080 1858 R HA -0.225 4.113 4.340 -0.003 0.000 0.236 1858 R C 2.203 178.553 176.300 0.084 0.000 1.137 1858 R CA 1.834 58.000 56.100 0.110 0.000 0.943 1858 R CB -0.406 29.943 30.300 0.082 0.000 0.846 1858 R HN 0.251 nan 8.270 nan 0.000 0.431 1859 Q N 0.279 120.118 119.800 0.065 0.000 2.124 1859 Q HA -0.087 4.251 4.340 -0.003 0.000 0.202 1859 Q C 1.992 178.017 176.000 0.042 0.000 0.977 1859 Q CA 2.037 57.869 55.803 0.047 0.000 0.850 1859 Q CB -0.057 28.703 28.738 0.038 0.000 0.901 1859 Q HN 0.396 nan 8.270 nan 0.000 0.429 1860 K N 0.107 120.534 120.400 0.045 0.000 2.057 1860 K HA -0.063 4.255 4.320 -0.003 0.000 0.206 1860 K C 1.968 178.584 176.600 0.026 0.000 1.050 1860 K CA 0.867 57.167 56.287 0.023 0.000 0.935 1860 K CB -0.211 32.290 32.500 0.002 0.000 0.715 1860 K HN 0.191 nan 8.250 nan 0.000 0.439 1861 L N 1.297 122.556 121.223 0.060 0.000 2.056 1861 L HA -0.184 4.154 4.340 -0.003 0.000 0.207 1861 L C 2.201 179.115 176.870 0.072 0.000 1.078 1861 L CA 1.363 56.255 54.840 0.086 0.000 0.749 1861 L CB -0.161 42.001 42.059 0.172 0.000 0.901 1861 L HN 0.262 nan 8.230 nan 0.000 0.433 1862 E N -0.274 119.963 120.200 0.062 0.000 2.058 1862 E HA -0.342 4.006 4.350 -0.003 0.000 0.194 1862 E C 1.911 178.532 176.600 0.034 0.000 0.997 1862 E CA 1.574 58.002 56.400 0.047 0.000 0.801 1862 E CB -0.246 29.477 29.700 0.039 0.000 0.746 1862 E HN 0.605 nan 8.360 nan 0.000 0.450 1863 Q N 0.458 120.274 119.800 0.026 0.000 2.084 1863 Q HA -0.154 4.184 4.340 -0.003 0.000 0.202 1863 Q C 2.330 178.333 176.000 0.004 0.000 0.978 1863 Q CA 1.129 56.939 55.803 0.012 0.000 0.844 1863 Q CB -0.100 28.641 28.738 0.006 0.000 0.898 1863 Q HN 0.254 nan 8.270 nan 0.000 0.426 1864 I N 0.402 120.977 120.570 0.009 0.000 2.179 1864 I HA -0.307 3.862 4.170 -0.003 0.000 0.242 1864 I C 2.215 178.329 176.117 -0.004 0.000 1.088 1864 I CA 1.060 62.352 61.300 -0.014 0.000 1.357 1864 I CB -0.205 37.797 38.000 0.003 0.000 1.051 1864 I HN 0.271 nan 8.210 nan 0.000 0.409 1865 I N 0.206 120.816 120.570 0.066 0.000 2.264 1865 I HA -0.306 3.862 4.170 -0.003 0.000 0.248 1865 I C 2.455 178.600 176.117 0.047 0.000 1.111 1865 I CA 1.600 62.964 61.300 0.107 0.000 1.382 1865 I CB -0.549 37.503 38.000 0.087 0.000 1.060 1865 I HN 0.273 nan 8.210 nan 0.000 0.418 1866 T N 0.770 115.337 114.554 0.021 0.000 2.770 1866 T HA -0.108 4.240 4.350 -0.003 0.000 0.263 1866 T C 1.851 176.545 174.700 -0.009 0.000 1.039 1866 T CA 0.866 62.970 62.100 0.007 0.000 1.142 1866 T CB -0.257 68.615 68.868 0.005 0.000 0.868 1866 T HN 0.097 nan 8.240 nan 0.000 0.435 1867 L N 1.210 122.419 121.223 -0.022 0.000 2.079 1867 L HA 0.007 4.345 4.340 -0.003 0.000 0.210 1867 L C 2.485 179.322 176.870 -0.055 0.000 1.081 1867 L CA 1.278 56.095 54.840 -0.038 0.000 0.752 1867 L CB -0.864 41.167 42.059 -0.046 0.000 0.896 1867 L HN 0.085 nan 8.230 nan 0.000 0.433 1868 V N -1.561 118.304 119.914 -0.082 0.000 2.626 1868 V HA -0.225 3.893 4.120 -0.003 0.000 0.252 1868 V C 2.375 178.439 176.094 -0.051 0.000 1.067 1868 V CA 1.799 64.033 62.300 -0.109 0.000 1.081 1868 V CB -0.009 31.685 31.823 -0.215 0.000 0.686 1868 V HN 0.553 nan 8.190 nan 0.000 0.468 1869 S N 0.171 115.857 115.700 -0.023 0.000 2.377 1869 S HA -0.040 4.428 4.470 -0.003 0.000 0.223 1869 S C 1.182 175.774 174.600 -0.013 0.000 1.030 1869 S CA 0.788 58.983 58.200 -0.008 0.000 0.970 1869 S CB -0.250 62.951 63.200 0.002 0.000 0.830 1869 S HN 0.805 nan 8.310 nan 0.000 0.473 1870 S N 2.093 117.784 115.700 -0.016 0.000 2.572 1870 S HA 0.335 4.803 4.470 -0.003 0.000 0.267 1870 S C 0.208 174.798 174.600 -0.016 0.000 1.361 1870 S CA -0.333 57.858 58.200 -0.014 0.000 1.009 1870 S CB 0.517 63.708 63.200 -0.015 0.000 0.888 1870 S HN 0.468 nan 8.310 nan 0.000 0.553 1871 S N 0.000 115.692 115.700 -0.013 0.000 2.498 1871 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 1871 S CA 0.000 58.193 58.200 -0.013 0.000 1.107 1871 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 1871 S HN 0.000 nan 8.310 nan 0.000 0.517