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 3bz7_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDXQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RXXXXXXXVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNSAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYLKEKINW DATA SEQUENCE TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYXXF DATA SEQUENCE VXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXQYRFGI TKIFFR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.484 175.510 -0.043 0.000 1.280 2 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 2 N CB 0.000 38.552 38.487 0.108 0.000 1.341 3 P HA 0.025 nan 4.420 nan 0.000 0.218 3 P C 1.585 178.801 177.300 -0.140 0.000 1.148 3 P CA 0.808 63.859 63.100 -0.081 0.000 0.822 3 P CB 0.472 32.109 31.700 -0.104 0.000 0.784 4 I N -1.175 119.118 120.570 -0.463 0.000 2.264 4 I HA -0.260 3.908 4.170 -0.003 0.000 0.248 4 I C 2.131 178.109 176.117 -0.231 0.000 1.111 4 I CA 1.450 62.359 61.300 -0.652 0.000 1.382 4 I CB -0.592 36.881 38.000 -0.879 0.000 1.060 4 I HN 0.159 nan 8.210 nan 0.000 0.418 5 H N -1.174 117.934 119.070 0.064 0.000 2.654 5 H HA 0.136 4.690 4.556 -0.003 0.000 0.264 5 H C 0.260 175.592 175.328 0.006 0.000 0.954 5 H CA 0.020 56.114 56.048 0.076 0.000 1.199 5 H CB -0.080 29.690 29.762 0.013 0.000 1.446 5 H HN 0.202 nan 8.280 nan 0.000 0.516 6 D N 1.087 121.543 120.400 0.094 0.000 2.316 6 D HA 0.148 4.786 4.640 -0.003 0.000 0.245 6 D C 1.386 177.609 176.300 -0.128 0.000 1.171 6 D CA -0.044 53.955 54.000 -0.003 0.000 0.856 6 D CB 0.743 41.559 40.800 0.027 0.000 1.090 6 D HN 0.256 nan 8.370 nan 0.000 0.476 7 R N 2.178 122.497 120.500 -0.301 0.000 2.299 7 R HA 0.004 4.342 4.340 -0.003 0.000 0.197 7 R C 1.804 178.001 176.300 -0.172 0.000 0.971 7 R CA 1.435 57.225 56.100 -0.516 0.000 1.030 7 R CB -1.264 28.797 30.300 -0.399 0.000 0.932 7 R HN 0.673 nan 8.270 nan 0.000 0.477 8 T N -2.162 112.346 114.554 -0.077 0.000 3.054 8 T HA -0.002 4.346 4.350 -0.003 0.000 0.259 8 T C 1.431 176.145 174.700 0.025 0.000 1.092 8 T CA 0.582 62.667 62.100 -0.024 0.000 1.121 8 T CB -0.438 68.420 68.868 -0.018 0.000 0.912 8 T HN 0.547 nan 8.240 nan 0.000 0.489 9 S N 1.601 117.347 115.700 0.076 0.000 2.569 9 S HA 0.053 4.521 4.470 -0.003 0.000 0.274 9 S C 0.643 175.329 174.600 0.143 0.000 1.353 9 S CA -0.386 57.892 58.200 0.129 0.000 1.023 9 S CB 0.480 63.783 63.200 0.173 0.000 0.876 9 S HN 0.218 nan 8.310 nan 0.000 0.540 10 D N 0.522 121.023 120.400 0.168 0.000 2.149 10 D HA -0.128 4.510 4.640 -0.003 0.000 0.198 10 D C 1.452 177.912 176.300 0.266 0.000 0.990 10 D CA 1.613 55.747 54.000 0.224 0.000 0.839 10 D CB -0.478 40.521 40.800 0.332 0.000 0.948 10 D HN 0.821 nan 8.370 nan 0.000 0.460 11 Y N 1.188 121.569 120.300 0.134 0.000 2.128 11 Y HA -0.272 4.276 4.550 -0.003 0.000 0.284 11 Y C 2.440 178.350 175.900 0.017 0.000 1.154 11 Y CA 1.813 59.968 58.100 0.091 0.000 1.149 11 Y CB -0.315 38.159 38.460 0.023 0.000 0.976 11 Y HN 0.107 nan 8.280 nan 0.000 0.505 12 H N 0.286 119.431 119.070 0.125 0.000 2.357 12 H HA -0.137 4.417 4.556 -0.003 0.000 0.301 12 H C 2.271 177.515 175.328 -0.140 0.000 1.082 12 H CA 1.864 57.902 56.048 -0.017 0.000 1.342 12 H CB -0.012 29.785 29.762 0.059 0.000 1.389 12 H HN 0.369 nan 8.280 nan 0.000 0.511 13 K N 0.028 120.378 120.400 -0.084 0.000 2.097 13 K HA -0.169 4.149 4.320 -0.003 0.000 0.206 13 K C 1.084 177.407 176.600 -0.460 0.000 1.049 13 K CA 1.527 57.602 56.287 -0.353 0.000 0.933 13 K CB 0.117 32.245 32.500 -0.621 0.000 0.717 13 K HN 0.213 nan 8.250 nan 0.000 0.442 14 Y N -0.958 119.297 120.300 -0.074 0.000 2.442 14 Y HA 0.217 4.765 4.550 -0.003 0.000 0.250 14 Y C 1.275 177.072 175.900 -0.171 0.000 1.113 14 Y CA -0.001 58.034 58.100 -0.109 0.000 1.273 14 Y CB 0.703 39.115 38.460 -0.080 0.000 1.138 14 Y HN -0.063 nan 8.280 nan 0.000 0.522 15 L N -0.963 120.172 121.223 -0.147 0.000 2.878 15 L HA 0.234 4.572 4.340 -0.003 0.000 0.253 15 L C 0.045 176.726 176.870 -0.315 0.000 1.135 15 L CA 0.135 54.826 54.840 -0.248 0.000 0.943 15 L CB 0.498 42.327 42.059 -0.383 0.000 1.307 15 L HN -0.249 nan 8.230 nan 0.000 0.545 16 K N 0.809 121.014 120.400 -0.325 0.000 2.208 16 K HA 0.458 4.776 4.320 -0.003 0.000 0.247 16 K C -0.536 175.990 176.600 -0.123 0.000 0.953 16 K CA -0.747 55.383 56.287 -0.261 0.000 0.837 16 K CB 2.924 35.184 32.500 -0.400 0.000 1.131 16 K HN -0.337 nan 8.250 nan 0.000 0.431 17 V N 2.503 122.374 119.914 -0.072 0.000 2.585 17 V HA 0.005 4.123 4.120 -0.003 0.000 0.296 17 V C 0.972 177.062 176.094 -0.007 0.000 1.035 17 V CA -0.086 62.192 62.300 -0.038 0.000 1.084 17 V CB 0.361 32.172 31.823 -0.021 0.000 0.953 17 V HN 0.569 nan 8.190 nan 0.000 0.483 18 K N 3.569 123.960 120.400 -0.016 0.000 2.436 18 K HA 0.066 4.384 4.320 -0.003 0.000 0.275 18 K C 0.260 176.867 176.600 0.011 0.000 0.999 18 K CA -0.420 55.865 56.287 -0.004 0.000 0.980 18 K CB 0.451 32.938 32.500 -0.022 0.000 0.919 18 K HN 0.701 nan 8.250 nan 0.000 0.484 19 Q N 2.034 121.844 119.800 0.018 0.000 2.263 19 Q HA 0.080 4.418 4.340 -0.003 0.000 0.289 19 Q C -0.197 175.814 176.000 0.019 0.000 1.061 19 Q CA 0.600 56.415 55.803 0.020 0.000 0.927 19 Q CB 0.726 29.470 28.738 0.010 0.000 1.154 19 Q HN 0.669 nan 8.270 nan 0.000 0.378 20 G N 3.518 112.337 108.800 0.032 0.000 2.606 20 G HA2 0.323 4.281 3.960 -0.003 0.000 0.252 20 G HA3 0.323 4.281 3.960 -0.003 0.000 0.252 20 G C -0.633 174.294 174.900 0.044 0.000 1.206 20 G CA -0.162 44.962 45.100 0.039 0.000 0.861 20 G HN 0.869 nan 8.290 nan 0.000 0.561 21 D N -2.356 118.072 120.400 0.047 0.000 2.569 21 D HA 0.323 4.961 4.640 -0.003 0.000 0.266 21 D C 1.644 177.989 176.300 0.076 0.000 1.164 21 D CA 0.071 54.096 54.000 0.042 0.000 1.071 21 D CB 0.724 41.540 40.800 0.027 0.000 1.183 21 D HN 0.322 nan 8.370 nan 0.000 0.613 22 S N -0.778 114.956 115.700 0.057 0.000 2.399 22 S HA -0.200 4.268 4.470 -0.003 0.000 0.231 22 S C 1.122 175.803 174.600 0.135 0.000 1.022 22 S CA 1.074 59.327 58.200 0.088 0.000 0.983 22 S CB -0.525 62.693 63.200 0.029 0.000 0.803 22 S HN 0.450 nan 8.310 nan 0.000 0.480 23 D N 1.514 121.965 120.400 0.085 0.000 2.117 23 D HA -0.014 4.624 4.640 -0.003 0.000 0.197 23 D C 1.844 178.187 176.300 0.072 0.000 0.987 23 D CA 0.816 54.858 54.000 0.071 0.000 0.829 23 D CB -0.514 40.312 40.800 0.044 0.000 0.961 23 D HN 0.353 nan 8.370 nan 0.000 0.460 24 L N -0.105 121.163 121.223 0.075 0.000 2.093 24 L HA -0.058 4.280 4.340 -0.003 0.000 0.208 24 L C 2.077 178.996 176.870 0.082 0.000 1.085 24 L CA 1.198 56.075 54.840 0.062 0.000 0.755 24 L CB -0.651 41.439 42.059 0.052 0.000 0.904 24 L HN -0.040 nan 8.230 nan 0.000 0.435 25 F N 0.413 120.362 119.950 -0.002 0.000 2.095 25 F HA -0.284 4.241 4.527 -0.003 0.000 0.298 25 F C 2.323 178.125 175.800 0.002 0.000 1.104 25 F CA 1.964 59.963 58.000 -0.003 0.000 1.232 25 F CB -0.187 38.810 39.000 -0.004 0.000 0.987 25 F HN 0.012 nan 8.300 nan 0.000 0.475 26 K N 0.332 120.810 120.400 0.130 0.000 2.044 26 K HA -0.203 4.115 4.320 -0.003 0.000 0.210 26 K C 2.072 178.626 176.600 -0.078 0.000 1.049 26 K CA 2.041 58.343 56.287 0.026 0.000 0.927 26 K CB -0.525 32.027 32.500 0.087 0.000 0.713 26 K HN 0.366 nan 8.250 nan 0.000 0.443 27 L N 0.565 121.761 121.223 -0.044 0.000 2.141 27 L HA -0.160 4.178 4.340 -0.003 0.000 0.209 27 L C 2.278 179.092 176.870 -0.092 0.000 1.094 27 L CA 1.167 55.979 54.840 -0.047 0.000 0.763 27 L CB -0.663 41.379 42.059 -0.029 0.000 0.908 27 L HN 0.252 nan 8.230 nan 0.000 0.437 28 T N -0.564 113.892 114.554 -0.163 0.000 2.867 28 T HA -0.101 4.247 4.350 -0.003 0.000 0.268 28 T C 1.677 176.221 174.700 -0.261 0.000 1.057 28 T CA 1.478 63.459 62.100 -0.198 0.000 1.136 28 T CB -0.117 68.629 68.868 -0.202 0.000 0.874 28 T HN 0.362 nan 8.240 nan 0.000 0.466 29 V N -0.728 118.953 119.914 -0.388 0.000 3.647 29 V HA 0.313 4.431 4.120 -0.003 0.000 0.279 29 V C 1.037 177.034 176.094 -0.162 0.000 1.314 29 V CA -0.529 61.571 62.300 -0.334 0.000 1.125 29 V CB -0.526 30.983 31.823 -0.523 0.000 0.907 29 V HN 0.273 nan 8.190 nan 0.000 0.434 30 S N 1.404 117.037 115.700 -0.111 0.000 2.561 30 S HA -0.065 4.403 4.470 -0.003 0.000 0.294 30 S C 0.853 175.438 174.600 -0.025 0.000 1.294 30 S CA 0.479 58.656 58.200 -0.039 0.000 1.055 30 S CB 0.348 63.556 63.200 0.014 0.000 0.819 30 S HN 0.602 nan 8.310 nan 0.000 0.503 31 D N 2.726 123.112 120.400 -0.024 0.000 2.349 31 D HA 0.116 4.754 4.640 -0.003 0.000 0.215 31 D C 0.331 176.600 176.300 -0.052 0.000 1.016 31 D CA 0.478 54.461 54.000 -0.028 0.000 0.870 31 D CB 0.114 40.898 40.800 -0.026 0.000 0.917 31 D HN 0.543 nan 8.370 nan 0.000 0.524 32 K N 0.714 121.076 120.400 -0.063 0.000 2.380 32 K HA 0.263 4.581 4.320 -0.003 0.000 0.267 32 K C 0.384 176.814 176.600 -0.284 0.000 0.990 32 K CA 0.244 56.416 56.287 -0.193 0.000 0.946 32 K CB 1.015 33.389 32.500 -0.209 0.000 0.937 32 K HN -0.123 nan 8.250 nan 0.000 0.491 33 R N 1.458 121.648 120.500 -0.517 0.000 2.750 33 R HA 0.428 4.766 4.340 -0.003 0.000 0.281 33 R C -1.156 174.675 176.300 -0.782 0.000 0.972 33 R CA -0.805 55.034 56.100 -0.436 0.000 0.912 33 R CB 1.237 31.365 30.300 -0.286 0.000 1.187 33 R HN 0.473 nan 8.270 nan 0.000 0.464 34 Y N -0.000 120.130 120.300 -0.282 0.000 2.576 34 Y HA 0.643 5.191 4.550 -0.003 0.000 0.346 34 Y C -0.464 175.130 175.900 -0.510 0.000 1.018 34 Y CA -0.951 56.920 58.100 -0.380 0.000 1.050 34 Y CB 2.166 40.380 38.460 -0.411 0.000 1.280 34 Y HN 0.298 nan 8.280 nan 0.000 0.474 35 I N 0.535 120.867 120.570 -0.397 0.000 2.730 35 I HA 0.522 4.690 4.170 -0.003 0.000 0.298 35 I C -1.813 174.036 176.117 -0.447 0.000 1.089 35 I CA -1.383 59.632 61.300 -0.475 0.000 1.041 35 I CB 1.219 38.876 38.000 -0.572 0.000 1.235 35 I HN 0.737 nan 8.210 nan 0.000 0.423 36 W N 7.262 128.476 121.300 -0.144 0.000 2.331 36 W HA 0.609 5.267 4.660 -0.003 0.000 0.306 36 W C -0.541 176.030 176.519 0.087 0.000 1.162 36 W CA -0.267 57.030 57.345 -0.081 0.000 1.232 36 W CB 0.828 30.126 29.460 -0.268 0.000 1.235 36 W HN 0.735 nan 8.180 nan 0.000 0.479 37 Y N 0.236 120.718 120.300 0.303 0.000 2.576 37 Y HA 0.541 5.089 4.550 -0.003 0.000 0.346 37 Y C -0.917 175.143 175.900 0.266 0.000 1.018 37 Y CA -2.212 56.021 58.100 0.222 0.000 1.050 37 Y CB 0.960 39.413 38.460 -0.012 0.000 1.280 37 Y HN 0.375 nan 8.280 nan 0.000 0.474 38 N N 4.214 122.992 118.700 0.130 0.000 2.437 38 N HA 0.268 5.006 4.740 -0.003 0.000 0.243 38 N C -2.261 173.325 175.510 0.127 0.000 1.041 38 N CA -1.497 51.499 53.050 -0.090 0.000 0.940 38 N CB 1.244 39.656 38.487 -0.125 0.000 1.133 38 N HN 0.509 nan 8.380 nan 0.000 0.506 39 P HA -0.172 nan 4.420 nan 0.000 0.216 39 P C -0.217 177.161 177.300 0.130 0.000 1.150 39 P CA 1.449 64.676 63.100 0.212 0.000 0.843 39 P CB 0.242 32.004 31.700 0.103 0.000 0.787 40 D N -1.486 118.937 120.400 0.038 0.000 2.453 40 D HA 0.120 4.758 4.640 -0.003 0.000 0.238 40 D C -1.731 174.566 176.300 -0.005 0.000 1.088 40 D CA -2.615 51.397 54.000 0.019 0.000 0.854 40 D CB 1.249 42.045 40.800 -0.006 0.000 1.076 40 D HN -0.024 nan 8.370 nan 0.000 0.533 41 P HA -0.127 nan 4.420 nan 0.000 0.223 41 P C 0.825 178.116 177.300 -0.014 0.000 1.144 41 P CA 0.727 63.834 63.100 0.012 0.000 0.783 41 P CB 0.572 32.293 31.700 0.035 0.000 0.771 42 K N 0.082 120.471 120.400 -0.019 0.000 2.217 42 K HA -0.026 4.292 4.320 -0.003 0.000 0.202 42 K C 0.731 177.299 176.600 -0.053 0.000 1.051 42 K CA 0.768 57.038 56.287 -0.028 0.000 0.952 42 K CB 0.052 32.539 32.500 -0.022 0.000 0.736 42 K HN 0.348 nan 8.250 nan 0.000 0.453 43 E N 1.378 121.534 120.200 -0.074 0.000 2.261 43 E HA 0.138 4.486 4.350 -0.003 0.000 0.239 43 E C 0.219 176.706 176.600 -0.187 0.000 0.991 43 E CA -0.262 56.071 56.400 -0.111 0.000 0.847 43 E CB 0.902 30.541 29.700 -0.101 0.000 1.223 43 E HN 0.057 nan 8.360 nan 0.000 0.446 44 R N 0.912 121.305 120.500 -0.178 0.000 2.280 44 R HA -0.039 4.299 4.340 -0.003 0.000 0.207 44 R C 0.231 176.284 176.300 -0.411 0.000 1.043 44 R CA 0.688 56.645 56.100 -0.238 0.000 1.006 44 R CB 0.226 30.459 30.300 -0.113 0.000 0.885 44 R HN 0.352 nan 8.270 nan 0.000 0.467 45 D N 0.144 120.352 120.400 -0.319 0.000 2.369 45 D HA 0.070 4.708 4.640 -0.003 0.000 0.211 45 D C 0.253 176.379 176.300 -0.292 0.000 1.077 45 D CA 0.363 54.202 54.000 -0.269 0.000 0.842 45 D CB 0.532 41.226 40.800 -0.177 0.000 0.947 45 D HN 0.124 nan 8.370 nan 0.000 0.509 46 S N 0.714 116.192 115.700 -0.371 0.000 2.423 46 S HA 0.479 4.947 4.470 -0.003 0.000 0.317 46 S C -0.563 173.842 174.600 -0.325 0.000 1.065 46 S CA -0.498 57.568 58.200 -0.224 0.000 1.111 46 S CB 0.091 63.204 63.200 -0.144 0.000 0.968 46 S HN -0.100 nan 8.310 nan 0.000 0.474 47 Y N 1.341 121.595 120.300 -0.076 0.000 2.446 47 Y HA 0.602 5.150 4.550 -0.003 0.000 0.338 47 Y C 0.505 176.357 175.900 -0.081 0.000 1.055 47 Y CA -0.653 57.392 58.100 -0.092 0.000 1.101 47 Y CB 1.517 39.950 38.460 -0.044 0.000 1.221 47 Y HN 0.532 nan 8.280 nan 0.000 0.460 48 E N 0.367 120.504 120.200 -0.105 0.000 2.339 48 E HA 0.321 4.670 4.350 -0.003 0.000 0.262 48 E C -1.246 175.407 176.600 0.089 0.000 0.934 48 E CA -0.844 55.523 56.400 -0.055 0.000 0.802 48 E CB 2.541 32.097 29.700 -0.241 0.000 1.275 48 E HN 0.614 nan 8.360 nan 0.000 0.427 49 C N 1.003 120.379 119.300 0.126 0.000 2.285 49 C HA 0.760 5.218 4.460 -0.003 0.000 0.335 49 C C 0.375 175.477 174.990 0.188 0.000 1.267 49 C CA -0.039 58.918 59.018 -0.103 0.000 1.762 49 C CB -0.946 26.548 27.740 -0.410 0.000 2.365 49 C HN 0.636 nan 8.230 nan 0.000 0.527 50 G N 4.289 113.211 108.800 0.204 0.000 2.452 50 G HA2 0.453 4.411 3.960 -0.003 0.000 0.324 50 G HA3 0.453 4.411 3.960 -0.003 0.000 0.324 50 G C -1.071 173.909 174.900 0.134 0.000 1.214 50 G CA -0.228 45.009 45.100 0.229 0.000 0.947 50 G HN 0.889 nan 8.290 nan 0.000 0.478 51 E N 1.915 122.200 120.200 0.142 0.000 2.324 51 E HA 0.109 4.457 4.350 -0.003 0.000 0.271 51 E C 0.098 176.612 176.600 -0.143 0.000 1.028 51 E CA -0.326 55.980 56.400 -0.157 0.000 0.890 51 E CB 0.562 30.171 29.700 -0.151 0.000 1.004 51 E HN 0.311 nan 8.360 nan 0.000 0.431 52 I N 5.886 126.272 120.570 -0.306 0.000 2.505 52 I HA -0.080 4.088 4.170 -0.003 0.000 0.287 52 I C 1.372 177.399 176.117 -0.150 0.000 1.104 52 I CA -0.144 61.032 61.300 -0.207 0.000 1.387 52 I CB 0.637 38.393 38.000 -0.406 0.000 1.404 52 I HN 0.510 nan 8.210 nan 0.000 0.528 53 V N 2.250 122.134 119.914 -0.050 0.000 3.307 53 V HA 0.202 4.321 4.120 -0.003 0.000 0.253 53 V C 0.696 176.782 176.094 -0.014 0.000 1.149 53 V CA 0.667 62.939 62.300 -0.047 0.000 1.112 53 V CB -0.222 31.578 31.823 -0.039 0.000 0.777 53 V HN 0.757 nan 8.190 nan 0.000 0.464 54 S N 0.187 115.905 115.700 0.030 0.000 2.615 54 S HA 0.721 5.189 4.470 -0.003 0.000 0.269 54 S C -1.152 173.532 174.600 0.140 0.000 1.161 54 S CA -0.284 57.950 58.200 0.056 0.000 0.817 54 S CB 2.352 65.567 63.200 0.025 0.000 1.131 54 S HN 0.842 nan 8.310 nan 0.000 0.467 55 E N -0.405 119.865 120.200 0.117 0.000 2.390 55 E HA 0.681 5.029 4.350 -0.003 0.000 0.277 55 E C -0.796 175.816 176.600 0.020 0.000 0.939 55 E CA -1.037 55.433 56.400 0.116 0.000 0.769 55 E CB 1.748 31.563 29.700 0.192 0.000 1.251 55 E HN 0.832 nan 8.360 nan 0.000 0.450 56 T N -1.709 112.823 114.554 -0.036 0.000 2.870 56 T HA 0.304 4.652 4.350 -0.003 0.000 0.277 56 T C 1.272 175.920 174.700 -0.086 0.000 1.000 56 T CA -0.044 62.026 62.100 -0.049 0.000 0.982 56 T CB 1.005 69.844 68.868 -0.048 0.000 1.249 56 T HN 0.598 nan 8.240 nan 0.000 0.589 57 S N 0.209 115.866 115.700 -0.072 0.000 2.419 57 S HA -0.137 4.331 4.470 -0.003 0.000 0.235 57 S C 1.145 175.671 174.600 -0.123 0.000 1.019 57 S CA 1.493 59.644 58.200 -0.081 0.000 0.982 57 S CB -0.712 62.456 63.200 -0.053 0.000 0.789 57 S HN 0.936 nan 8.310 nan 0.000 0.490 58 D N -0.206 120.114 120.400 -0.133 0.000 2.520 58 D HA 0.391 5.029 4.640 -0.003 0.000 0.223 58 D C 0.363 176.543 176.300 -0.200 0.000 1.186 58 D CA 0.453 54.363 54.000 -0.149 0.000 0.821 58 D CB -0.145 40.601 40.800 -0.090 0.000 1.072 58 D HN 0.538 nan 8.370 nan 0.000 0.518 59 S N -0.499 115.059 115.700 -0.237 0.000 2.588 59 S HA 0.685 5.153 4.470 -0.003 0.000 0.275 59 S C -1.317 173.125 174.600 -0.263 0.000 1.130 59 S CA -0.760 57.317 58.200 -0.205 0.000 0.855 59 S CB 1.336 64.495 63.200 -0.069 0.000 1.116 59 S HN -0.019 nan 8.310 nan 0.000 0.472 60 F N 1.257 121.234 119.950 0.044 0.000 2.532 60 F HA 0.673 5.198 4.527 -0.003 0.000 0.321 60 F C 0.413 176.265 175.800 0.087 0.000 1.089 60 F CA -0.593 57.445 58.000 0.063 0.000 0.926 60 F CB 2.508 41.561 39.000 0.088 0.000 1.168 60 F HN 0.402 nan 8.300 nan 0.000 0.459 61 T N 4.501 119.212 114.554 0.263 0.000 2.797 61 T HA 0.676 5.024 4.350 -0.003 0.000 0.279 61 T C -1.067 173.700 174.700 0.112 0.000 0.991 61 T CA -0.372 61.777 62.100 0.083 0.000 0.979 61 T CB 0.615 69.480 68.868 -0.006 0.000 0.943 61 T HN 0.384 nan 8.240 nan 0.000 0.444 62 F N -0.097 119.815 119.950 -0.063 0.000 2.599 62 F HA 0.766 5.291 4.527 -0.003 0.000 0.311 62 F C -0.720 174.992 175.800 -0.147 0.000 1.076 62 F CA -1.586 56.341 58.000 -0.122 0.000 0.937 62 F CB 1.253 40.163 39.000 -0.150 0.000 1.282 62 F HN 0.192 nan 8.300 nan 0.000 0.460 63 K N 1.638 122.069 120.400 0.052 0.000 2.218 63 K HA 0.453 4.771 4.320 -0.003 0.000 0.276 63 K C 0.009 176.636 176.600 0.046 0.000 1.022 63 K CA -0.535 55.740 56.287 -0.020 0.000 0.946 63 K CB 1.292 33.807 32.500 0.024 0.000 1.000 63 K HN 0.843 nan 8.250 nan 0.000 0.468 64 T N -1.856 112.657 114.554 -0.069 0.000 2.847 64 T HA 0.098 4.446 4.350 -0.003 0.000 0.279 64 T C 1.393 176.191 174.700 0.162 0.000 0.984 64 T CA -0.970 61.120 62.100 -0.015 0.000 0.988 64 T CB 1.111 69.947 68.868 -0.054 0.000 1.040 64 T HN 0.183 nan 8.240 nan 0.000 0.528 65 V N 1.462 121.568 119.914 0.320 0.000 2.392 65 V HA -0.083 4.035 4.120 -0.003 0.000 0.249 65 V C 1.348 177.525 176.094 0.138 0.000 1.059 65 V CA 2.306 64.742 62.300 0.225 0.000 1.051 65 V CB -1.283 30.678 31.823 0.230 0.000 0.658 65 V HN 1.091 nan 8.190 nan 0.000 0.455 69 D N 1.450 121.743 120.400 -0.178 0.000 2.181 69 D HA 0.688 5.326 4.640 -0.003 0.000 0.248 69 D C -0.091 175.976 176.300 -0.389 0.000 1.020 69 D CA -0.377 53.452 54.000 -0.285 0.000 0.891 69 D CB 1.190 41.870 40.800 -0.202 0.000 1.187 69 D HN 0.414 nan 8.370 nan 0.000 0.443 70 R N 0.827 120.905 120.500 -0.703 0.000 2.808 70 R HA 0.460 4.798 4.340 -0.003 0.000 0.272 70 R C -0.701 175.201 176.300 -0.663 0.000 0.995 70 R CA -0.868 54.812 56.100 -0.701 0.000 0.917 70 R CB 2.447 32.219 30.300 -0.880 0.000 1.217 70 R HN 0.378 nan 8.270 nan 0.000 0.471 71 Q N 1.151 120.781 119.800 -0.284 0.000 2.348 71 Q HA 0.674 5.012 4.340 -0.003 0.000 0.271 71 Q C -1.704 174.346 176.000 0.084 0.000 1.067 71 Q CA -0.810 54.951 55.803 -0.070 0.000 0.839 71 Q CB 2.518 31.230 28.738 -0.044 0.000 1.354 71 Q HN 0.374 nan 8.270 nan 0.000 0.447 72 V N 2.462 122.491 119.914 0.193 0.000 2.891 72 V HA 0.385 4.503 4.120 -0.003 0.000 0.304 72 V C -1.583 174.583 176.094 0.120 0.000 1.171 72 V CA -0.815 61.611 62.300 0.211 0.000 0.943 72 V CB 2.307 34.346 31.823 0.359 0.000 1.037 72 V HN 0.766 nan 8.190 nan 0.000 0.427 73 K N 3.737 124.173 120.400 0.060 0.000 2.448 73 K HA 0.213 4.531 4.320 -0.003 0.000 0.278 73 K C 1.093 177.675 176.600 -0.029 0.000 1.009 73 K CA 0.412 56.693 56.287 -0.010 0.000 0.995 73 K CB 0.439 32.935 32.500 -0.005 0.000 0.917 73 K HN 0.614 nan 8.250 nan 0.000 0.481 74 K N 1.371 121.669 120.400 -0.171 0.000 2.152 74 K HA -0.180 4.138 4.320 -0.003 0.000 0.206 74 K C 0.670 177.237 176.600 -0.055 0.000 1.048 74 K CA 1.591 57.738 56.287 -0.233 0.000 0.933 74 K CB 0.076 32.321 32.500 -0.424 0.000 0.721 74 K HN 0.530 nan 8.250 nan 0.000 0.447 75 D N 0.736 121.111 120.400 -0.042 0.000 2.264 75 D HA -0.096 4.542 4.640 -0.003 0.000 0.208 75 D C 0.803 177.118 176.300 0.025 0.000 0.966 75 D CA 1.027 55.022 54.000 -0.007 0.000 0.864 75 D CB 0.020 40.812 40.800 -0.014 0.000 0.933 75 D HN 0.164 nan 8.370 nan 0.000 0.499 76 D N -0.344 120.082 120.400 0.044 0.000 2.369 76 D HA 0.165 4.803 4.640 -0.003 0.000 0.211 76 D C 0.348 176.711 176.300 0.104 0.000 1.077 76 D CA -0.006 54.038 54.000 0.072 0.000 0.842 76 D CB 0.222 41.068 40.800 0.078 0.000 0.947 76 D HN 0.011 nan 8.370 nan 0.000 0.509 77 A N 1.070 123.958 122.820 0.113 0.000 2.366 77 A HA 0.266 4.584 4.320 -0.003 0.000 0.272 77 A C 0.303 177.934 177.584 0.079 0.000 1.135 77 A CA -0.408 51.715 52.037 0.144 0.000 0.804 77 A CB 0.261 19.442 19.000 0.300 0.000 1.064 77 A HN -0.058 nan 8.150 nan 0.000 0.499 78 N N 3.322 122.064 118.700 0.071 0.000 2.767 78 N HA 0.099 4.837 4.740 -0.003 0.000 0.238 78 N C -0.539 174.964 175.510 -0.012 0.000 1.083 78 N CA 0.054 53.139 53.050 0.058 0.000 0.964 78 N CB 0.912 39.466 38.487 0.111 0.000 1.252 78 N HN 0.706 nan 8.380 nan 0.000 0.512 79 Q N 0.804 120.490 119.800 -0.189 0.000 2.392 79 Q HA 0.098 4.436 4.340 -0.003 0.000 0.262 79 Q C 0.463 176.361 176.000 -0.169 0.000 1.003 79 Q CA 0.082 55.650 55.803 -0.391 0.000 0.888 79 Q CB 1.648 29.852 28.738 -0.889 0.000 1.260 79 Q HN 0.350 nan 8.270 nan 0.000 0.435 80 R N 2.619 122.965 120.500 -0.257 0.000 2.340 80 R HA 0.072 4.410 4.340 -0.003 0.000 0.300 80 R C -0.310 176.124 176.300 0.223 0.000 1.069 80 R CA -0.399 55.599 56.100 -0.171 0.000 0.984 80 R CB 0.559 30.420 30.300 -0.732 0.000 1.003 80 R HN 0.571 nan 8.270 nan 0.000 0.459 81 N N 4.771 123.688 118.700 0.363 0.000 2.441 81 N HA 0.051 4.789 4.740 -0.003 0.000 0.251 81 N C -2.291 173.392 175.510 0.288 0.000 1.242 81 N CA -0.726 52.510 53.050 0.311 0.000 0.898 81 N CB 0.521 39.109 38.487 0.168 0.000 1.100 81 N HN 0.496 nan 8.380 nan 0.000 0.443 82 P HA -0.052 nan 4.420 nan 0.000 0.264 82 P C 1.098 178.539 177.300 0.236 0.000 1.179 82 P CA 0.218 63.467 63.100 0.249 0.000 0.763 82 P CB 0.314 32.157 31.700 0.239 0.000 0.806 83 I N 2.149 122.785 120.570 0.110 0.000 3.001 83 I HA -0.183 3.985 4.170 -0.003 0.000 0.268 83 I C 1.641 177.787 176.117 0.049 0.000 1.267 83 I CA 0.867 62.223 61.300 0.094 0.000 1.472 83 I CB -0.718 37.300 38.000 0.030 0.000 1.089 83 I HN 0.248 nan 8.210 nan 0.000 0.468 84 K N 1.127 121.499 120.400 -0.048 0.000 2.281 84 K HA -0.136 4.182 4.320 -0.003 0.000 0.203 84 K C 1.328 177.796 176.600 -0.220 0.000 1.046 84 K CA 1.614 57.799 56.287 -0.170 0.000 0.938 84 K CB -0.669 31.653 32.500 -0.296 0.000 0.737 84 K HN 0.347 nan 8.250 nan 0.000 0.458 85 F N 2.001 121.969 119.950 0.030 0.000 2.710 85 F HA 0.090 4.615 4.527 -0.003 0.000 0.298 85 F C 0.069 175.897 175.800 0.046 0.000 1.137 85 F CA -0.123 57.898 58.000 0.035 0.000 1.444 85 F CB -0.126 38.896 39.000 0.037 0.000 1.111 85 F HN -0.079 nan 8.300 nan 0.000 0.580 86 D N 0.308 120.829 120.400 0.202 0.000 2.382 86 D HA 0.352 4.990 4.640 -0.003 0.000 0.259 86 D C 1.323 177.650 176.300 0.045 0.000 1.224 86 D CA 1.059 55.137 54.000 0.129 0.000 0.894 86 D CB 0.665 41.552 40.800 0.144 0.000 1.127 86 D HN 0.347 nan 8.370 nan 0.000 0.487 87 G N 1.551 110.353 108.800 0.004 0.000 2.176 87 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.232 87 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.232 87 G C 0.471 175.382 174.900 0.019 0.000 0.986 87 G CA 0.024 45.116 45.100 -0.013 0.000 0.643 87 G HN 0.604 nan 8.290 nan 0.000 0.522 88 V N 0.948 120.903 119.914 0.069 0.000 2.694 88 V HA 0.213 4.331 4.120 -0.003 0.000 0.306 88 V C 1.646 177.781 176.094 0.068 0.000 1.054 88 V CA 1.588 63.946 62.300 0.098 0.000 1.161 88 V CB 0.897 32.837 31.823 0.195 0.000 0.916 88 V HN 0.522 nan 8.190 nan 0.000 0.490 89 E N 3.015 123.262 120.200 0.078 0.000 2.208 89 E HA -0.041 4.307 4.350 -0.003 0.000 0.193 89 E C 0.088 176.773 176.600 0.142 0.000 0.988 89 E CA 0.777 57.227 56.400 0.085 0.000 0.828 89 E CB 0.218 29.987 29.700 0.116 0.000 0.763 89 E HN 0.743 nan 8.360 nan 0.000 0.478 90 D N -0.530 119.960 120.400 0.151 0.000 2.505 90 D HA 0.155 4.793 4.640 -0.003 0.000 0.250 90 D C 0.310 176.658 176.300 0.081 0.000 1.164 90 D CA -0.250 53.839 54.000 0.148 0.000 0.870 90 D CB 1.136 42.016 40.800 0.133 0.000 1.160 90 D HN -0.104 nan 8.370 nan 0.000 0.549 91 M N 1.551 121.176 119.600 0.042 0.000 2.619 91 M HA -0.074 4.404 4.480 -0.003 0.000 0.251 91 M C 1.831 178.128 176.300 -0.005 0.000 1.106 91 M CA 0.320 55.630 55.300 0.017 0.000 1.086 91 M CB 0.008 32.611 32.600 0.005 0.000 1.465 91 M HN 0.362 nan 8.290 nan 0.000 0.506 92 S N 0.294 115.991 115.700 -0.005 0.000 2.500 92 S HA -0.120 4.348 4.470 -0.003 0.000 0.239 92 S C 1.342 175.937 174.600 -0.009 0.000 0.989 92 S CA 0.928 59.124 58.200 -0.007 0.000 0.951 92 S CB -0.422 62.772 63.200 -0.010 0.000 0.759 92 S HN 0.569 nan 8.310 nan 0.000 0.523 93 E N 0.640 120.847 120.200 0.011 0.000 2.435 93 E HA 0.190 4.538 4.350 -0.003 0.000 0.195 93 E C 0.026 176.550 176.600 -0.125 0.000 1.029 93 E CA -0.152 56.271 56.400 0.039 0.000 0.865 93 E CB -0.129 29.667 29.700 0.159 0.000 0.833 93 E HN 0.572 nan 8.360 nan 0.000 0.510 94 L N 1.410 122.483 121.223 -0.249 0.000 2.514 94 L HA -0.048 4.290 4.340 -0.003 0.000 0.280 94 L C 1.445 177.944 176.870 -0.617 0.000 1.223 94 L CA -0.221 54.257 54.840 -0.603 0.000 0.864 94 L CB 0.750 42.632 42.059 -0.294 0.000 1.118 94 L HN 0.040 nan 8.230 nan 0.000 0.494 95 S N 1.210 116.330 115.700 -0.968 0.000 2.368 95 S HA -0.073 4.395 4.470 -0.003 0.000 0.224 95 S C -0.052 174.250 174.600 -0.498 0.000 1.029 95 S CA 1.126 58.911 58.200 -0.691 0.000 0.988 95 S CB -0.087 62.559 63.200 -0.923 0.000 0.838 95 S HN 0.378 nan 8.310 nan 0.000 0.462 96 Y N 0.860 121.064 120.300 -0.160 0.000 2.402 96 Y HA 0.499 5.047 4.550 -0.003 0.000 0.332 96 Y C -0.301 175.575 175.900 -0.039 0.000 0.960 96 Y CA -1.156 56.911 58.100 -0.054 0.000 1.228 96 Y CB 0.162 38.619 38.460 -0.005 0.000 1.120 96 Y HN 0.006 nan 8.280 nan 0.000 0.491 97 L N 6.079 127.375 121.223 0.123 0.000 2.328 97 L HA 0.273 4.611 4.340 -0.003 0.000 0.280 97 L C -0.604 176.322 176.870 0.095 0.000 1.111 97 L CA -0.187 54.703 54.840 0.084 0.000 0.909 97 L CB -0.372 41.729 42.059 0.071 0.000 1.277 97 L HN 0.764 nan 8.230 nan 0.000 0.433 98 N N -0.518 118.232 118.700 0.083 0.000 2.629 98 N HA 0.269 5.007 4.740 -0.003 0.000 0.279 98 N C 0.282 175.789 175.510 -0.004 0.000 1.344 98 N CA -0.951 52.128 53.050 0.049 0.000 0.789 98 N CB 0.852 39.369 38.487 0.050 0.000 1.508 98 N HN 0.101 nan 8.380 nan 0.000 0.516 99 E N -0.613 119.568 120.200 -0.031 0.000 2.023 99 E HA -0.119 4.229 4.350 -0.003 0.000 0.196 99 E C -0.901 175.580 176.600 -0.200 0.000 1.003 99 E CA 1.651 58.012 56.400 -0.064 0.000 0.809 99 E CB -0.852 28.842 29.700 -0.009 0.000 0.755 99 E HN 0.605 nan 8.360 nan 0.000 0.449 100 P HA -0.126 nan 4.420 nan 0.000 0.219 100 P C 0.986 177.836 177.300 -0.750 0.000 1.150 100 P CA 1.519 64.082 63.100 -0.894 0.000 0.814 100 P CB 0.111 30.765 31.700 -1.744 0.000 0.787 101 A N 0.161 122.751 122.820 -0.384 0.000 1.873 101 A HA -0.092 4.226 4.320 -0.003 0.000 0.215 101 A C 2.479 180.056 177.584 -0.013 0.000 1.186 101 A CA 1.687 53.696 52.037 -0.046 0.000 0.616 101 A CB -1.605 17.488 19.000 0.154 0.000 0.823 101 A HN 0.045 nan 8.150 nan 0.000 0.442 102 V N -1.081 118.822 119.914 -0.017 0.000 2.295 102 V HA -0.231 3.887 4.120 -0.003 0.000 0.246 102 V C 2.302 178.407 176.094 0.018 0.000 1.049 102 V CA 2.153 64.463 62.300 0.016 0.000 1.024 102 V CB -0.944 30.903 31.823 0.039 0.000 0.648 102 V HN 0.632 nan 8.190 nan 0.000 0.447 103 F N 0.978 120.832 119.950 -0.159 0.000 2.134 103 F HA -0.203 4.323 4.527 -0.003 0.000 0.299 103 F C 2.412 178.110 175.800 -0.169 0.000 1.097 103 F CA 2.224 60.122 58.000 -0.171 0.000 1.264 103 F CB -0.674 38.203 39.000 -0.205 0.000 1.001 103 F HN 0.346 nan 8.300 nan 0.000 0.479 104 H N -0.160 118.645 119.070 -0.442 0.000 2.353 104 H HA -0.165 4.389 4.556 -0.003 0.000 0.300 104 H C 2.165 177.334 175.328 -0.264 0.000 1.090 104 H CA 2.273 58.041 56.048 -0.467 0.000 1.327 104 H CB -0.652 28.906 29.762 -0.340 0.000 1.383 104 H HN 0.321 nan 8.280 nan 0.000 0.508 105 N N -0.270 118.304 118.700 -0.210 0.000 2.120 105 N HA -0.112 4.626 4.740 -0.003 0.000 0.188 105 N C 1.915 177.295 175.510 -0.217 0.000 1.024 105 N CA 1.432 54.370 53.050 -0.186 0.000 0.852 105 N CB -0.238 38.226 38.487 -0.037 0.000 1.003 105 N HN 0.403 nan 8.380 nan 0.000 0.424 106 L N 0.073 121.178 121.223 -0.197 0.000 2.083 106 L HA -0.126 4.212 4.340 -0.003 0.000 0.209 106 L C 2.622 179.350 176.870 -0.237 0.000 1.083 106 L CA 1.053 55.794 54.840 -0.165 0.000 0.752 106 L CB -0.430 41.570 42.059 -0.098 0.000 0.899 106 L HN 0.256 nan 8.230 nan 0.000 0.433 107 R N 0.032 120.244 120.500 -0.480 0.000 2.096 107 R HA -0.139 4.199 4.340 -0.003 0.000 0.235 107 R C 2.199 178.337 176.300 -0.270 0.000 1.127 107 R CA 1.362 57.191 56.100 -0.452 0.000 0.968 107 R CB -0.128 29.740 30.300 -0.721 0.000 0.861 107 R HN 0.165 nan 8.270 nan 0.000 0.440 108 V N 1.117 120.812 119.914 -0.364 0.000 2.343 108 V HA -0.233 3.885 4.120 -0.003 0.000 0.247 108 V C 2.449 178.461 176.094 -0.137 0.000 1.051 108 V CA 1.943 64.091 62.300 -0.254 0.000 1.036 108 V CB -0.477 31.163 31.823 -0.305 0.000 0.654 108 V HN 0.398 nan 8.190 nan 0.000 0.451 109 R N -1.343 119.084 120.500 -0.121 0.000 2.066 109 R HA -0.174 4.164 4.340 -0.003 0.000 0.232 109 R C 2.345 178.614 176.300 -0.051 0.000 1.131 109 R CA 1.938 57.991 56.100 -0.078 0.000 0.955 109 R CB -0.588 29.669 30.300 -0.071 0.000 0.851 109 R HN 0.541 nan 8.270 nan 0.000 0.432 110 Y N 2.482 122.687 120.300 -0.158 0.000 2.165 110 Y HA -0.243 4.305 4.550 -0.003 0.000 0.286 110 Y C 1.855 177.691 175.900 -0.106 0.000 1.155 110 Y CA 1.586 59.605 58.100 -0.135 0.000 1.164 110 Y CB -0.292 38.090 38.460 -0.130 0.000 0.978 110 Y HN 0.046 nan 8.280 nan 0.000 0.513 111 N N 0.256 118.959 118.700 0.006 0.000 2.258 111 N HA -0.195 4.543 4.740 -0.003 0.000 0.187 111 N C 0.894 176.345 175.510 -0.099 0.000 1.012 111 N CA 1.676 54.697 53.050 -0.049 0.000 0.870 111 N CB -0.322 38.147 38.487 -0.030 0.000 0.977 111 N HN 0.609 nan 8.380 nan 0.000 0.434 112 Q N 0.077 119.810 119.800 -0.112 0.000 2.188 112 Q HA 0.089 4.427 4.340 -0.003 0.000 0.212 112 Q C -0.742 175.174 176.000 -0.141 0.000 0.846 112 Q CA -0.220 55.519 55.803 -0.107 0.000 0.989 112 Q CB 0.592 29.279 28.738 -0.085 0.000 1.114 112 Q HN 0.119 nan 8.270 nan 0.000 0.488 113 D N 0.399 120.658 120.400 -0.234 0.000 2.945 113 D HA -0.171 4.467 4.640 -0.003 0.000 0.225 113 D C -0.756 175.404 176.300 -0.233 0.000 1.158 113 D CA 0.844 54.673 54.000 -0.284 0.000 0.805 113 D CB -1.310 39.378 40.800 -0.187 0.000 1.098 113 D HN 0.357 nan 8.370 nan 0.000 0.426 114 L N 1.386 122.491 121.223 -0.196 0.000 2.315 114 L HA 0.322 4.660 4.340 -0.003 0.000 0.278 114 L C 2.121 178.882 176.870 -0.182 0.000 1.088 114 L CA -0.473 54.266 54.840 -0.169 0.000 0.899 114 L CB 0.317 42.305 42.059 -0.118 0.000 1.277 114 L HN 0.103 nan 8.230 nan 0.000 0.431 115 I N -1.438 118.946 120.570 -0.311 0.000 3.226 115 I HA 0.062 4.230 4.170 -0.003 0.000 0.277 115 I C -0.092 175.781 176.117 -0.406 0.000 1.243 115 I CA 0.342 61.431 61.300 -0.352 0.000 1.459 115 I CB 0.047 37.731 38.000 -0.526 0.000 1.093 115 I HN 0.204 nan 8.210 nan 0.000 0.453 116 Y N 1.838 122.023 120.300 -0.191 0.000 2.360 116 Y HA 0.640 5.188 4.550 -0.003 0.000 0.337 116 Y C -0.044 175.697 175.900 -0.265 0.000 1.039 116 Y CA -0.966 56.986 58.100 -0.247 0.000 1.109 116 Y CB 1.735 39.989 38.460 -0.344 0.000 1.201 116 Y HN -0.081 nan 8.280 nan 0.000 0.458 117 T N 2.502 116.988 114.554 -0.112 0.000 2.993 117 T HA 0.355 4.703 4.350 -0.003 0.000 0.312 117 T C -1.377 173.179 174.700 -0.240 0.000 1.115 117 T CA -0.952 61.043 62.100 -0.175 0.000 1.027 117 T CB 0.659 69.485 68.868 -0.070 0.000 1.116 117 T HN 0.175 nan 8.240 nan 0.000 0.464 118 Y N 1.329 121.623 120.300 -0.011 0.000 2.304 118 Y HA 0.483 5.031 4.550 -0.003 0.000 0.327 118 Y C 1.189 176.987 175.900 -0.169 0.000 1.209 118 Y CA -0.624 57.427 58.100 -0.081 0.000 1.299 118 Y CB 1.107 39.531 38.460 -0.059 0.000 1.249 118 Y HN 0.603 nan 8.280 nan 0.000 0.519 119 S N 2.371 117.954 115.700 -0.195 0.000 2.060 119 S HA 0.533 5.001 4.470 -0.003 0.000 0.156 119 S C 0.483 174.717 174.600 -0.610 0.000 1.690 119 S CA 0.129 58.080 58.200 -0.415 0.000 1.238 119 S CB -1.008 61.870 63.200 -0.537 0.000 1.150 119 S HN 1.239 nan 8.310 nan 0.000 0.437 120 G N 3.438 112.089 108.800 -0.248 0.000 2.543 120 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.286 120 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.286 120 G C 0.629 175.421 174.900 -0.179 0.000 1.153 120 G CA 0.396 45.390 45.100 -0.176 0.000 0.968 120 G HN 0.712 nan 8.290 nan 0.000 0.544 121 L N 1.162 122.328 121.223 -0.094 0.000 2.395 121 L HA 0.311 4.649 4.340 -0.003 0.000 0.218 121 L C 1.331 178.318 176.870 0.195 0.000 1.130 121 L CA 0.866 55.738 54.840 0.054 0.000 0.826 121 L CB -0.412 41.731 42.059 0.141 0.000 0.941 121 L HN 0.433 nan 8.230 nan 0.000 0.451 122 F N -1.847 118.230 119.950 0.211 0.000 2.575 122 F HA 0.640 5.165 4.527 -0.003 0.000 0.330 122 F C -0.548 175.457 175.800 0.342 0.000 1.056 122 F CA -2.046 56.131 58.000 0.295 0.000 0.964 122 F CB 0.644 39.852 39.000 0.346 0.000 1.258 122 F HN -0.384 nan 8.300 nan 0.000 0.484 123 L N 2.223 123.731 121.223 0.476 0.000 2.312 123 L HA 0.700 5.038 4.340 -0.003 0.000 0.281 123 L C -0.945 176.091 176.870 0.276 0.000 1.070 123 L CA -0.533 54.481 54.840 0.291 0.000 0.805 123 L CB 1.416 43.596 42.059 0.202 0.000 1.174 123 L HN 0.585 nan 8.230 nan 0.000 0.434 124 V N 4.599 124.604 119.914 0.151 0.000 2.483 124 V HA 0.828 4.946 4.120 -0.003 0.000 0.295 124 V C -0.000 176.164 176.094 0.117 0.000 1.035 124 V CA -0.374 62.012 62.300 0.143 0.000 0.896 124 V CB 1.276 33.160 31.823 0.102 0.000 0.986 124 V HN 0.961 nan 8.190 nan 0.000 0.447 125 A N 4.581 127.462 122.820 0.102 0.000 2.332 125 A HA 0.779 5.097 4.320 -0.003 0.000 0.300 125 A C -0.912 176.637 177.584 -0.058 0.000 1.153 125 A CA -0.474 51.585 52.037 0.036 0.000 0.764 125 A CB 1.359 20.456 19.000 0.163 0.000 1.174 125 A HN 0.632 nan 8.150 nan 0.000 0.467 126 V N 3.352 123.205 119.914 -0.102 0.000 2.370 126 V HA 0.206 4.324 4.120 -0.003 0.000 0.279 126 V C 0.505 176.571 176.094 -0.047 0.000 1.029 126 V CA -1.003 61.253 62.300 -0.073 0.000 0.870 126 V CB 1.239 33.000 31.823 -0.102 0.000 0.984 126 V HN 0.897 nan 8.190 nan 0.000 0.451 127 N N 7.954 126.572 118.700 -0.136 0.000 2.411 127 N HA 0.053 4.791 4.740 -0.003 0.000 0.265 127 N C -1.183 174.260 175.510 -0.112 0.000 1.266 127 N CA -1.353 51.524 53.050 -0.289 0.000 0.889 127 N CB 1.457 39.560 38.487 -0.641 0.000 1.069 127 N HN 0.367 nan 8.380 nan 0.000 0.476 128 P HA -0.005 nan 4.420 nan 0.000 0.227 128 P C -0.057 177.295 177.300 0.088 0.000 1.161 128 P CA 0.269 63.344 63.100 -0.042 0.000 0.788 128 P CB -0.008 31.591 31.700 -0.169 0.000 0.822 129 F N 0.081 120.056 119.950 0.042 0.000 3.079 129 F HA -0.265 4.260 4.527 -0.003 0.000 0.274 129 F C 0.711 176.514 175.800 0.004 0.000 0.940 129 F CA 1.234 59.251 58.000 0.029 0.000 0.932 129 F CB -2.210 36.819 39.000 0.048 0.000 0.891 129 F HN 0.224 nan 8.300 nan 0.000 0.722 130 K N -2.867 117.596 120.400 0.104 0.000 2.642 130 K HA 0.871 5.189 4.320 -0.003 0.000 0.290 130 K C -0.332 176.274 176.600 0.010 0.000 1.006 130 K CA -0.825 55.495 56.287 0.055 0.000 0.869 130 K CB 1.139 33.656 32.500 0.028 0.000 1.499 130 K HN 0.096 nan 8.250 nan 0.000 0.403 131 R N 1.368 121.873 120.500 0.008 0.000 2.390 131 R HA 0.599 4.937 4.340 -0.003 0.000 0.291 131 R C -0.263 176.012 176.300 -0.041 0.000 1.070 131 R CA -0.143 55.960 56.100 0.005 0.000 1.014 131 R CB -0.351 29.957 30.300 0.014 0.000 1.007 131 R HN 0.557 nan 8.270 nan 0.000 0.466 132 I N 4.039 124.578 120.570 -0.051 0.000 2.498 132 I HA 0.370 4.538 4.170 -0.003 0.000 0.290 132 I C -1.854 174.123 176.117 -0.233 0.000 1.032 132 I CA -2.291 58.909 61.300 -0.167 0.000 1.073 132 I CB 3.119 41.001 38.000 -0.198 0.000 1.251 132 I HN 0.570 nan 8.210 nan 0.000 0.426 133 P HA 0.199 nan 4.420 nan 0.000 0.220 133 P C 0.336 177.432 177.300 -0.340 0.000 1.806 133 P CA 0.156 63.042 63.100 -0.355 0.000 0.976 133 P CB -0.477 30.928 31.700 -0.493 0.000 1.952 134 I N -4.185 116.152 120.570 -0.388 0.000 4.009 134 I HA 0.296 4.464 4.170 -0.003 0.000 0.331 134 I C -0.265 175.661 176.117 -0.319 0.000 1.462 134 I CA -0.465 60.616 61.300 -0.365 0.000 1.117 134 I CB -0.032 37.687 38.000 -0.469 0.000 1.091 134 I HN -0.179 nan 8.210 nan 0.000 0.410 135 Y N 1.676 122.075 120.300 0.165 0.000 2.706 135 Y HA 0.295 4.843 4.550 -0.003 0.000 0.255 135 Y C 1.388 177.488 175.900 0.334 0.000 1.163 135 Y CA -0.873 57.415 58.100 0.312 0.000 1.174 135 Y CB -0.326 38.261 38.460 0.211 0.000 1.200 135 Y HN 0.157 nan 8.280 nan 0.000 0.544 136 T N -3.176 111.580 114.554 0.337 0.000 2.726 136 T HA 0.015 4.363 4.350 -0.003 0.000 0.294 136 T C 1.322 176.159 174.700 0.228 0.000 1.013 136 T CA -0.311 61.930 62.100 0.235 0.000 0.996 136 T CB 1.043 70.006 68.868 0.159 0.000 1.016 136 T HN 0.175 nan 8.240 nan 0.000 0.529 137 Q N 0.340 120.223 119.800 0.138 0.000 2.124 137 Q HA -0.126 4.212 4.340 -0.003 0.000 0.202 137 Q C 1.960 178.017 176.000 0.094 0.000 0.977 137 Q CA 1.947 57.799 55.803 0.083 0.000 0.850 137 Q CB -0.554 28.210 28.738 0.043 0.000 0.901 137 Q HN 0.862 nan 8.270 nan 0.000 0.429 138 E N -0.893 119.377 120.200 0.116 0.000 2.110 138 E HA -0.155 4.193 4.350 -0.003 0.000 0.193 138 E C 1.762 178.465 176.600 0.172 0.000 0.988 138 E CA 1.360 57.829 56.400 0.116 0.000 0.804 138 E CB -0.151 29.616 29.700 0.112 0.000 0.745 138 E HN 0.349 nan 8.360 nan 0.000 0.458 139 M N 0.104 119.859 119.600 0.257 0.000 2.099 139 M HA -0.084 4.394 4.480 -0.003 0.000 0.262 139 M C 2.307 178.894 176.300 0.478 0.000 1.067 139 M CA 0.961 56.505 55.300 0.406 0.000 1.124 139 M CB -0.730 32.143 32.600 0.455 0.000 1.353 139 M HN 0.051 nan 8.290 nan 0.000 0.410 140 V N 1.231 121.324 119.914 0.299 0.000 2.278 140 V HA -0.311 3.807 4.120 -0.003 0.000 0.251 140 V C 1.972 178.148 176.094 0.137 0.000 1.062 140 V CA 2.130 64.454 62.300 0.042 0.000 1.038 140 V CB -0.847 30.845 31.823 -0.218 0.000 0.646 140 V HN 0.373 nan 8.190 nan 0.000 0.447 141 D N -0.382 120.067 120.400 0.082 0.000 2.178 141 D HA -0.100 4.538 4.640 -0.003 0.000 0.201 141 D C 2.025 178.348 176.300 0.038 0.000 0.980 141 D CA 1.183 55.203 54.000 0.034 0.000 0.842 141 D CB -0.167 40.642 40.800 0.015 0.000 0.948 141 D HN 0.430 nan 8.370 nan 0.000 0.472 142 I N -0.310 120.293 120.570 0.055 0.000 2.315 142 I HA -0.222 3.946 4.170 -0.003 0.000 0.248 142 I C 1.796 177.799 176.117 -0.190 0.000 1.117 142 I CA 0.764 61.991 61.300 -0.121 0.000 1.404 142 I CB -0.143 37.719 38.000 -0.230 0.000 1.071 142 I HN -0.104 nan 8.210 nan 0.000 0.419 143 F N 0.885 120.882 119.950 0.079 0.000 2.512 143 F HA 0.035 4.560 4.527 -0.003 0.000 0.296 143 F C 1.478 177.364 175.800 0.144 0.000 1.110 143 F CA 0.391 58.453 58.000 0.103 0.000 1.446 143 F CB -0.106 38.951 39.000 0.096 0.000 1.092 143 F HN -0.170 nan 8.300 nan 0.000 0.554 144 K N 0.754 121.316 120.400 0.270 0.000 2.437 144 K HA 0.109 4.427 4.320 -0.003 0.000 0.277 144 K C 1.150 177.814 176.600 0.107 0.000 1.073 144 K CA 0.975 57.364 56.287 0.170 0.000 1.105 144 K CB -0.218 32.289 32.500 0.012 0.000 0.881 144 K HN 0.452 nan 8.250 nan 0.000 0.475 145 G N 3.720 112.600 108.800 0.133 0.000 2.179 145 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.260 145 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.260 145 G C -0.184 174.750 174.900 0.056 0.000 0.977 145 G CA -0.061 45.086 45.100 0.078 0.000 0.641 145 G HN 0.572 nan 8.290 nan 0.000 0.533 146 R N 0.708 121.250 120.500 0.070 0.000 2.357 146 R HA 0.506 4.844 4.340 -0.003 0.000 0.296 146 R C 0.941 177.273 176.300 0.054 0.000 1.052 146 R CA -0.694 55.425 56.100 0.031 0.000 0.988 146 R CB 0.457 30.743 30.300 -0.024 0.000 1.025 146 R HN 0.438 nan 8.270 nan 0.000 0.469 147 R N 1.175 121.690 120.500 0.026 0.000 2.694 147 R HA 0.063 4.401 4.340 -0.003 0.000 0.268 147 R C 1.596 177.919 176.300 0.038 0.000 1.061 147 R CA -0.123 55.990 56.100 0.021 0.000 1.133 147 R CB 0.628 30.930 30.300 0.003 0.000 1.020 147 R HN 0.538 nan 8.270 nan 0.000 0.475 148 R N 1.570 122.079 120.500 0.016 0.000 2.103 148 R HA -0.202 4.136 4.340 -0.003 0.000 0.242 148 R C 1.506 177.822 176.300 0.027 0.000 1.142 148 R CA 2.225 58.329 56.100 0.008 0.000 0.960 148 R CB -0.166 30.049 30.300 -0.143 0.000 0.858 148 R HN 0.671 nan 8.270 nan 0.000 0.439 149 N N 0.191 118.889 118.700 -0.004 0.000 2.515 149 N HA -0.125 4.613 4.740 -0.003 0.000 0.185 149 N C 0.657 176.195 175.510 0.046 0.000 1.109 149 N CA 0.994 54.056 53.050 0.019 0.000 0.903 149 N CB -0.063 38.423 38.487 -0.002 0.000 0.969 149 N HN 0.399 nan 8.380 nan 0.000 0.450 150 E N -0.201 120.022 120.200 0.039 0.000 2.371 150 E HA 0.050 4.398 4.350 -0.003 0.000 0.194 150 E C 0.161 176.766 176.600 0.008 0.000 1.012 150 E CA 0.326 56.738 56.400 0.020 0.000 0.860 150 E CB 0.481 30.177 29.700 -0.007 0.000 0.811 150 E HN 0.393 nan 8.360 nan 0.000 0.502 151 V N -3.000 116.955 119.914 0.068 0.000 3.159 151 V HA 0.725 4.843 4.120 -0.003 0.000 0.308 151 V C -0.295 175.951 176.094 0.253 0.000 1.190 151 V CA -1.382 60.974 62.300 0.093 0.000 1.037 151 V CB 1.396 33.157 31.823 -0.103 0.000 1.060 151 V HN -0.041 nan 8.190 nan 0.000 0.437 152 A N 1.517 124.516 122.820 0.299 0.000 2.406 152 A HA 0.700 5.018 4.320 -0.003 0.000 0.243 152 A C -2.389 175.382 177.584 0.313 0.000 1.082 152 A CA -1.117 51.049 52.037 0.215 0.000 0.786 152 A CB -0.720 18.278 19.000 -0.004 0.000 1.029 152 A HN 0.818 nan 8.150 nan 0.000 0.495 153 P HA 0.202 nan 4.420 nan 0.000 0.268 153 P C -0.438 176.790 177.300 -0.120 0.000 1.204 153 P CA 0.841 63.809 63.100 -0.220 0.000 0.768 153 P CB 0.302 31.648 31.700 -0.589 0.000 0.842 154 H N 2.052 120.846 119.070 -0.461 0.000 3.094 154 H HA 0.115 4.669 4.556 -0.003 0.000 0.335 154 H C 0.440 175.157 175.328 -1.019 0.000 1.254 154 H CA -0.557 54.929 56.048 -0.937 0.000 1.240 154 H CB 1.302 30.486 29.762 -0.963 0.000 1.936 154 H HN 0.184 nan 8.280 nan 0.000 0.536 155 I N 3.069 122.874 120.570 -1.274 0.000 2.335 155 I HA -0.230 3.938 4.170 -0.003 0.000 0.251 155 I C 1.492 177.465 176.117 -0.239 0.000 1.129 155 I CA 1.403 62.357 61.300 -0.576 0.000 1.402 155 I CB -0.472 37.277 38.000 -0.418 0.000 1.069 155 I HN 0.434 nan 8.210 nan 0.000 0.424 156 F N 0.909 120.637 119.950 -0.370 0.000 2.171 156 F HA -0.118 4.407 4.527 -0.003 0.000 0.300 156 F C 2.582 177.811 175.800 -0.952 0.000 1.090 156 F CA 0.867 58.251 58.000 -1.028 0.000 1.293 156 F CB -1.855 36.284 39.000 -1.434 0.000 1.013 156 F HN 0.170 nan 8.300 nan 0.000 0.486 157 A N 0.017 122.593 122.820 -0.406 0.000 1.898 157 A HA -0.100 4.218 4.320 -0.003 0.000 0.216 157 A C 2.483 180.044 177.584 -0.037 0.000 1.181 157 A CA 1.797 53.819 52.037 -0.026 0.000 0.620 157 A CB -1.104 18.056 19.000 0.267 0.000 0.819 157 A HN 0.167 nan 8.150 nan 0.000 0.442 158 I N -0.256 120.283 120.570 -0.052 0.000 2.546 158 I HA -0.121 4.047 4.170 -0.003 0.000 0.255 158 I C 2.743 178.776 176.117 -0.140 0.000 1.163 158 I CA 1.317 62.588 61.300 -0.048 0.000 1.457 158 I CB -1.426 36.597 38.000 0.040 0.000 1.092 158 I HN 0.485 nan 8.210 nan 0.000 0.434 159 S N -0.341 115.265 115.700 -0.157 0.000 2.368 159 S HA -0.264 4.204 4.470 -0.003 0.000 0.225 159 S C 1.974 176.561 174.600 -0.021 0.000 1.030 159 S CA 1.691 59.830 58.200 -0.102 0.000 0.999 159 S CB -0.500 62.642 63.200 -0.097 0.000 0.844 159 S HN 0.666 nan 8.310 nan 0.000 0.459 160 D N 0.970 121.328 120.400 -0.070 0.000 2.117 160 D HA -0.081 4.557 4.640 -0.003 0.000 0.198 160 D C 1.971 178.323 176.300 0.086 0.000 0.982 160 D CA 0.890 54.992 54.000 0.170 0.000 0.828 160 D CB 0.010 40.934 40.800 0.206 0.000 0.967 160 D HN 0.183 nan 8.370 nan 0.000 0.464 161 V N 1.579 121.482 119.914 -0.019 0.000 2.287 161 V HA -0.274 3.844 4.120 -0.003 0.000 0.248 161 V C 2.715 178.722 176.094 -0.146 0.000 1.053 161 V CA 1.954 64.216 62.300 -0.064 0.000 1.027 161 V CB -0.803 30.982 31.823 -0.063 0.000 0.646 161 V HN 0.255 nan 8.190 nan 0.000 0.447 162 A N -1.211 121.420 122.820 -0.315 0.000 1.933 162 A HA -0.261 4.057 4.320 -0.003 0.000 0.218 162 A C 2.153 179.654 177.584 -0.139 0.000 1.175 162 A CA 2.018 53.827 52.037 -0.381 0.000 0.628 162 A CB -0.737 17.964 19.000 -0.499 0.000 0.814 162 A HN 0.644 nan 8.150 nan 0.000 0.444 163 Y N 0.727 120.904 120.300 -0.206 0.000 2.181 163 Y HA -0.185 4.363 4.550 -0.003 0.000 0.288 163 Y C 2.400 178.146 175.900 -0.258 0.000 1.146 163 Y CA 1.949 59.893 58.100 -0.261 0.000 1.164 163 Y CB -0.108 38.245 38.460 -0.179 0.000 0.982 163 Y HN 0.187 nan 8.280 nan 0.000 0.515 164 R N -0.328 120.036 120.500 -0.227 0.000 2.092 164 R HA -0.070 4.268 4.340 -0.003 0.000 0.231 164 R C 2.433 178.569 176.300 -0.273 0.000 1.119 164 R CA 1.193 57.120 56.100 -0.287 0.000 0.970 164 R CB -1.237 28.987 30.300 -0.126 0.000 0.864 164 R HN 0.290 nan 8.270 nan 0.000 0.440 165 S N 1.479 117.064 115.700 -0.191 0.000 2.368 165 S HA -0.111 4.357 4.470 -0.003 0.000 0.225 165 S C 1.863 176.319 174.600 -0.239 0.000 1.030 165 S CA 1.293 59.403 58.200 -0.151 0.000 0.999 165 S CB -0.176 63.007 63.200 -0.028 0.000 0.844 165 S HN 0.308 nan 8.310 nan 0.000 0.459 166 M N 1.068 120.478 119.600 -0.316 0.000 2.080 166 M HA -0.147 4.331 4.480 -0.003 0.000 0.260 166 M C 1.738 177.664 176.300 -0.623 0.000 1.068 166 M CA 1.609 56.637 55.300 -0.453 0.000 1.109 166 M CB -0.325 31.978 32.600 -0.494 0.000 1.342 166 M HN 0.276 nan 8.290 nan 0.000 0.405 167 L N -0.113 120.731 121.223 -0.632 0.000 2.005 167 L HA -0.237 4.101 4.340 -0.003 0.000 0.207 167 L C 2.121 178.760 176.870 -0.385 0.000 1.072 167 L CA 1.335 55.836 54.840 -0.564 0.000 0.744 167 L CB -1.142 40.570 42.059 -0.579 0.000 0.895 167 L HN 0.279 nan 8.230 nan 0.000 0.433 168 D N -0.042 120.177 120.400 -0.303 0.000 2.144 168 D HA -0.150 4.488 4.640 -0.003 0.000 0.199 168 D C 1.404 177.598 176.300 -0.177 0.000 0.984 168 D CA 1.201 55.079 54.000 -0.203 0.000 0.834 168 D CB -0.212 40.492 40.800 -0.159 0.000 0.955 168 D HN 0.375 nan 8.370 nan 0.000 0.465 169 D N -0.298 119.981 120.400 -0.201 0.000 2.379 169 D HA 0.087 4.725 4.640 -0.003 0.000 0.208 169 D C 0.220 176.424 176.300 -0.160 0.000 1.065 169 D CA -0.129 53.779 54.000 -0.152 0.000 0.848 169 D CB 0.277 41.002 40.800 -0.124 0.000 0.949 169 D HN 0.080 nan 8.370 nan 0.000 0.509 170 R N 0.335 120.666 120.500 -0.281 0.000 3.333 170 R HA -0.236 4.102 4.340 -0.003 0.000 0.256 170 R C -0.144 176.099 176.300 -0.095 0.000 1.010 170 R CA 0.436 56.350 56.100 -0.311 0.000 0.680 170 R CB -1.925 28.367 30.300 -0.013 0.000 1.102 170 R HN 0.212 nan 8.270 nan 0.000 0.440 171 Q N 0.565 120.247 119.800 -0.197 0.000 2.347 171 Q HA 0.335 4.673 4.340 -0.003 0.000 0.271 171 Q C -0.851 175.074 176.000 -0.124 0.000 1.064 171 Q CA -0.877 54.883 55.803 -0.072 0.000 0.800 171 Q CB 1.205 29.898 28.738 -0.075 0.000 1.304 171 Q HN 0.131 nan 8.270 nan 0.000 0.438 172 N N 2.982 121.611 118.700 -0.117 0.000 2.441 172 N HA 0.095 4.833 4.740 -0.003 0.000 0.251 172 N C -0.710 174.643 175.510 -0.262 0.000 1.242 172 N CA 0.265 53.104 53.050 -0.352 0.000 0.898 172 N CB 0.613 38.645 38.487 -0.758 0.000 1.100 172 N HN 0.573 nan 8.380 nan 0.000 0.443 173 Q N 0.073 119.732 119.800 -0.234 0.000 2.351 173 Q HA 0.558 4.896 4.340 -0.003 0.000 0.273 173 Q C -0.427 175.610 176.000 0.061 0.000 1.077 173 Q CA -0.766 55.022 55.803 -0.024 0.000 0.843 173 Q CB 1.981 30.758 28.738 0.065 0.000 1.367 173 Q HN 0.712 nan 8.270 nan 0.000 0.449 174 S N 0.164 115.948 115.700 0.140 0.000 2.570 174 S HA 0.743 5.211 4.470 -0.003 0.000 0.286 174 S C -1.025 173.660 174.600 0.141 0.000 1.099 174 S CA -0.776 57.535 58.200 0.185 0.000 0.913 174 S CB 1.187 64.529 63.200 0.237 0.000 1.085 174 S HN 0.332 nan 8.310 nan 0.000 0.480 175 L N 1.965 123.256 121.223 0.113 0.000 2.316 175 L HA 0.535 4.873 4.340 -0.003 0.000 0.280 175 L C -1.012 175.887 176.870 0.049 0.000 1.006 175 L CA -0.272 54.611 54.840 0.070 0.000 0.836 175 L CB 1.341 43.441 42.059 0.068 0.000 1.221 175 L HN 0.694 nan 8.230 nan 0.000 0.418 176 L N 5.607 126.812 121.223 -0.029 0.000 2.276 176 L HA 0.532 4.870 4.340 -0.003 0.000 0.286 176 L C -0.512 176.431 176.870 0.121 0.000 1.024 176 L CA -0.295 54.553 54.840 0.013 0.000 0.826 176 L CB 0.970 42.959 42.059 -0.117 0.000 1.211 176 L HN 0.460 nan 8.230 nan 0.000 0.422 177 I N 3.029 123.668 120.570 0.115 0.000 2.328 177 I HA 0.260 4.428 4.170 -0.003 0.000 0.287 177 I C 0.666 176.846 176.117 0.105 0.000 1.012 177 I CA -0.295 61.074 61.300 0.116 0.000 1.195 177 I CB 1.595 39.647 38.000 0.087 0.000 1.350 177 I HN 0.575 nan 8.210 nan 0.000 0.464 178 T N 2.237 116.855 114.554 0.107 0.000 2.927 178 T HA 0.902 5.250 4.350 -0.003 0.000 0.281 178 T C 0.067 174.803 174.700 0.060 0.000 0.998 178 T CA -0.684 61.462 62.100 0.076 0.000 1.019 178 T CB 2.140 71.028 68.868 0.034 0.000 1.061 178 T HN 0.929 nan 8.240 nan 0.000 0.518 179 G N 0.759 109.603 108.800 0.073 0.000 2.358 179 G HA2 0.396 4.354 3.960 -0.003 0.000 0.303 179 G HA3 0.396 4.354 3.960 -0.003 0.000 0.303 179 G C -0.993 173.967 174.900 0.101 0.000 1.537 179 G CA -0.566 44.575 45.100 0.067 0.000 0.928 179 G HN 1.074 nan 8.290 nan 0.000 0.656 180 E N -0.170 120.084 120.200 0.090 0.000 2.391 180 E HA 0.484 4.832 4.350 -0.003 0.000 0.255 180 E C 0.623 177.279 176.600 0.093 0.000 1.187 180 E CA 0.020 56.495 56.400 0.126 0.000 0.941 180 E CB 0.817 30.576 29.700 0.099 0.000 1.010 180 E HN 0.581 nan 8.360 nan 0.000 0.458 181 S N 0.332 116.081 115.700 0.082 0.000 2.563 181 S HA 0.243 4.711 4.470 -0.003 0.000 0.294 181 S C 1.089 175.746 174.600 0.096 0.000 1.279 181 S CA 0.847 59.089 58.200 0.070 0.000 1.069 181 S CB -0.702 62.522 63.200 0.040 0.000 0.828 181 S HN 1.032 nan 8.310 nan 0.000 0.497 182 G N 3.215 112.080 108.800 0.109 0.000 2.176 182 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.253 182 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.253 182 G C 0.884 175.842 174.900 0.096 0.000 0.979 182 G CA 0.405 45.602 45.100 0.162 0.000 0.641 182 G HN 1.416 nan 8.290 nan 0.000 0.530 183 A N -0.323 122.521 122.820 0.041 0.000 2.066 183 A HA 0.523 4.841 4.320 -0.003 0.000 0.218 183 A C 2.493 180.021 177.584 -0.092 0.000 1.157 183 A CA 2.308 54.331 52.037 -0.023 0.000 0.670 183 A CB -0.297 18.707 19.000 0.006 0.000 0.804 183 A HN 2.462 nan 8.150 nan 0.000 0.453 184 G N -1.242 107.519 108.800 -0.064 0.000 2.155 184 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.130 184 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.130 184 G C 0.739 175.627 174.900 -0.022 0.000 1.027 184 G CA 0.409 45.462 45.100 -0.077 0.000 0.705 184 G HN 0.397 nan 8.290 nan 0.000 0.496 185 K N -0.106 120.297 120.400 0.005 0.000 2.032 185 K HA -0.076 4.242 4.320 -0.003 0.000 0.209 185 K C 2.504 179.114 176.600 0.017 0.000 1.048 185 K CA 1.940 58.240 56.287 0.023 0.000 0.927 185 K CB -0.273 32.246 32.500 0.032 0.000 0.712 185 K HN 0.291 nan 8.250 nan 0.000 0.441 186 T N 1.381 115.942 114.554 0.011 0.000 2.777 186 T HA -0.086 4.262 4.350 -0.003 0.000 0.266 186 T C 1.638 176.341 174.700 0.005 0.000 1.040 186 T CA 1.058 63.167 62.100 0.015 0.000 1.141 186 T CB -0.069 68.816 68.868 0.028 0.000 0.868 186 T HN 0.184 nan 8.240 nan 0.000 0.444 187 E N 1.604 121.794 120.200 -0.017 0.000 2.077 187 E HA -0.073 4.275 4.350 -0.003 0.000 0.193 187 E C 2.223 178.776 176.600 -0.078 0.000 0.989 187 E CA 0.819 57.183 56.400 -0.060 0.000 0.800 187 E CB -0.447 29.200 29.700 -0.089 0.000 0.746 187 E HN 0.479 nan 8.360 nan 0.000 0.452 188 N N 0.285 118.964 118.700 -0.035 0.000 2.188 188 N HA -0.084 4.654 4.740 -0.003 0.000 0.184 188 N C 1.819 177.338 175.510 0.016 0.000 1.018 188 N CA 1.257 54.306 53.050 -0.002 0.000 0.858 188 N CB -0.225 38.294 38.487 0.054 0.000 0.989 188 N HN 0.134 nan 8.380 nan 0.000 0.426 189 T N 1.966 116.533 114.554 0.022 0.000 2.665 189 T HA -0.140 4.208 4.350 -0.003 0.000 0.268 189 T C 1.874 176.593 174.700 0.033 0.000 1.035 189 T CA 1.266 63.385 62.100 0.031 0.000 1.151 189 T CB -0.096 68.789 68.868 0.029 0.000 0.862 189 T HN 0.305 nan 8.240 nan 0.000 0.438 190 K N 0.609 121.020 120.400 0.018 0.000 2.103 190 K HA -0.099 4.219 4.320 -0.003 0.000 0.207 190 K C 2.415 179.040 176.600 0.041 0.000 1.048 190 K CA 0.938 57.237 56.287 0.020 0.000 0.930 190 K CB -0.035 32.465 32.500 -0.000 0.000 0.716 190 K HN 0.177 nan 8.250 nan 0.000 0.444 191 K N 0.660 121.077 120.400 0.028 0.000 2.097 191 K HA -0.070 4.248 4.320 -0.003 0.000 0.205 191 K C 2.190 178.971 176.600 0.300 0.000 1.050 191 K CA 0.840 57.224 56.287 0.163 0.000 0.938 191 K CB -0.544 31.981 32.500 0.043 0.000 0.718 191 K HN -0.005 nan 8.250 nan 0.000 0.442 192 V N 2.096 122.119 119.914 0.182 0.000 2.295 192 V HA -0.233 3.885 4.120 -0.003 0.000 0.246 192 V C 2.346 178.537 176.094 0.161 0.000 1.049 192 V CA 1.367 63.775 62.300 0.179 0.000 1.024 192 V CB -0.403 31.482 31.823 0.102 0.000 0.648 192 V HN 0.116 nan 8.190 nan 0.000 0.447 193 I N -0.027 120.603 120.570 0.100 0.000 2.179 193 I HA -0.255 3.913 4.170 -0.003 0.000 0.242 193 I C 2.535 178.678 176.117 0.042 0.000 1.088 193 I CA 1.539 62.872 61.300 0.055 0.000 1.357 193 I CB -1.486 36.529 38.000 0.025 0.000 1.051 193 I HN 0.474 nan 8.210 nan 0.000 0.409 194 Q N 0.180 120.021 119.800 0.068 0.000 2.045 194 Q HA -0.301 4.037 4.340 -0.003 0.000 0.206 194 Q C 2.507 178.486 176.000 -0.035 0.000 0.991 194 Q CA 2.256 58.085 55.803 0.043 0.000 0.851 194 Q CB -0.434 28.374 28.738 0.116 0.000 0.911 194 Q HN 0.522 nan 8.270 nan 0.000 0.418 195 Y N 0.717 120.929 120.300 -0.148 0.000 2.145 195 Y HA -0.196 4.352 4.550 -0.003 0.000 0.286 195 Y C 2.012 177.770 175.900 -0.237 0.000 1.145 195 Y CA 1.704 59.595 58.100 -0.348 0.000 1.148 195 Y CB -0.268 37.965 38.460 -0.378 0.000 0.981 195 Y HN 0.111 nan 8.280 nan 0.000 0.507 196 L N -0.532 120.654 121.223 -0.061 0.000 2.046 196 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 196 L C 2.734 179.506 176.870 -0.163 0.000 1.077 196 L CA 1.170 55.949 54.840 -0.101 0.000 0.747 196 L CB -0.960 41.173 42.059 0.125 0.000 0.896 196 L HN 0.334 nan 8.230 nan 0.000 0.432 197 A N -1.135 121.610 122.820 -0.125 0.000 1.969 197 A HA -0.205 4.113 4.320 -0.003 0.000 0.218 197 A C 2.529 180.025 177.584 -0.147 0.000 1.169 197 A CA 1.996 53.965 52.037 -0.114 0.000 0.635 197 A CB -0.506 18.445 19.000 -0.082 0.000 0.810 197 A HN 0.370 nan 8.150 nan 0.000 0.445 198 S N -0.387 115.176 115.700 -0.229 0.000 2.335 198 S HA -0.123 4.345 4.470 -0.003 0.000 0.217 198 S C 2.038 176.450 174.600 -0.314 0.000 1.032 198 S CA 1.852 59.897 58.200 -0.257 0.000 0.985 198 S CB -0.708 62.306 63.200 -0.310 0.000 0.896 198 S HN 0.954 nan 8.310 nan 0.000 0.445 199 V N -0.316 119.282 119.914 -0.527 0.000 2.809 199 V HA 0.362 4.480 4.120 -0.003 0.000 0.256 199 V C 1.662 177.526 176.094 -0.384 0.000 1.080 199 V CA 1.481 63.470 62.300 -0.519 0.000 1.102 199 V CB -0.761 30.592 31.823 -0.782 0.000 0.705 199 V HN 0.513 nan 8.190 nan 0.000 0.475 200 A N 0.086 122.723 122.820 -0.306 0.000 2.538 200 A HA 0.705 5.023 4.320 -0.003 0.000 0.269 200 A C 1.174 178.828 177.584 0.116 0.000 1.231 200 A CA 0.363 52.338 52.037 -0.103 0.000 0.948 200 A CB -0.472 18.554 19.000 0.044 0.000 1.110 200 A HN 0.710 nan 8.150 nan 0.000 0.529 201 G N -0.282 108.550 108.800 0.055 0.000 2.537 201 G HA2 0.515 4.473 3.960 -0.003 0.000 0.273 201 G HA3 0.515 4.473 3.960 -0.003 0.000 0.273 201 G C 0.016 175.017 174.900 0.167 0.000 1.189 201 G CA -0.459 44.693 45.100 0.085 0.000 0.881 201 G HN 0.413 nan 8.290 nan 0.000 0.535 211 L N 1.160 122.350 121.223 -0.054 0.000 1.990 211 L HA -0.181 4.157 4.340 -0.003 0.000 0.213 211 L C 2.298 179.131 176.870 -0.062 0.000 1.072 211 L CA 3.566 58.368 54.840 -0.064 0.000 0.755 211 L CB -0.596 41.422 42.059 -0.068 0.000 0.889 211 L HN 0.680 nan 8.230 nan 0.000 0.432 212 E N -0.735 119.432 120.200 -0.055 0.000 2.085 212 E HA -0.255 4.093 4.350 -0.003 0.000 0.194 212 E C 2.255 178.830 176.600 -0.042 0.000 0.994 212 E CA 1.375 57.744 56.400 -0.053 0.000 0.801 212 E CB -0.287 29.386 29.700 -0.046 0.000 0.743 212 E HN 0.444 nan 8.360 nan 0.000 0.453 213 Q N 0.299 120.078 119.800 -0.035 0.000 2.167 213 Q HA -0.102 4.236 4.340 -0.003 0.000 0.202 213 Q C 1.969 177.955 176.000 -0.023 0.000 0.970 213 Q CA 1.383 57.171 55.803 -0.024 0.000 0.855 213 Q CB -0.059 28.667 28.738 -0.020 0.000 0.911 213 Q HN 0.440 nan 8.270 nan 0.000 0.438 214 Q N -0.555 119.224 119.800 -0.035 0.000 2.123 214 Q HA -0.030 4.308 4.340 -0.003 0.000 0.199 214 Q C 2.123 178.099 176.000 -0.039 0.000 0.966 214 Q CA 0.893 56.673 55.803 -0.039 0.000 0.845 214 Q CB -0.013 28.689 28.738 -0.060 0.000 0.907 214 Q HN 0.368 nan 8.270 nan 0.000 0.439 215 I N 0.305 120.845 120.570 -0.050 0.000 2.208 215 I HA -0.288 3.880 4.170 -0.003 0.000 0.245 215 I C 1.761 177.863 176.117 -0.026 0.000 1.097 215 I CA 0.814 62.083 61.300 -0.051 0.000 1.363 215 I CB -0.188 37.771 38.000 -0.068 0.000 1.051 215 I HN 0.218 nan 8.210 nan 0.000 0.413 216 L N -0.007 121.205 121.223 -0.017 0.000 2.056 216 L HA -0.156 4.182 4.340 -0.003 0.000 0.207 216 L C 2.440 179.320 176.870 0.017 0.000 1.078 216 L CA 1.689 56.530 54.840 0.002 0.000 0.749 216 L CB -1.238 40.822 42.059 0.002 0.000 0.901 216 L HN 0.298 nan 8.230 nan 0.000 0.433 217 Q N -0.843 118.965 119.800 0.013 0.000 2.436 217 Q HA 0.072 4.410 4.340 -0.003 0.000 0.209 217 Q C 2.228 178.252 176.000 0.040 0.000 0.965 217 Q CA 0.900 56.720 55.803 0.028 0.000 0.910 217 Q CB -0.235 28.517 28.738 0.023 0.000 0.980 217 Q HN 0.474 nan 8.270 nan 0.000 0.491 218 A N 0.993 123.828 122.820 0.025 0.000 1.978 218 A HA -0.232 4.086 4.320 -0.003 0.000 0.220 218 A C 1.957 179.578 177.584 0.062 0.000 1.170 218 A CA 1.738 53.791 52.037 0.027 0.000 0.636 218 A CB -0.493 18.505 19.000 -0.004 0.000 0.810 218 A HN 0.349 nan 8.150 nan 0.000 0.448 219 N N -0.291 118.455 118.700 0.075 0.000 2.106 219 N HA -0.053 4.685 4.740 -0.003 0.000 0.188 219 N C -1.128 174.471 175.510 0.149 0.000 1.029 219 N CA 1.528 54.648 53.050 0.117 0.000 0.848 219 N CB -0.548 37.998 38.487 0.099 0.000 1.007 219 N HN 0.270 nan 8.380 nan 0.000 0.423 220 P HA -0.079 nan 4.420 nan 0.000 0.219 220 P C 0.962 178.372 177.300 0.183 0.000 1.146 220 P CA 1.023 64.208 63.100 0.141 0.000 0.808 220 P CB 0.063 31.823 31.700 0.100 0.000 0.779 221 I N -1.386 119.280 120.570 0.159 0.000 2.193 221 I HA -0.197 3.971 4.170 -0.003 0.000 0.240 221 I C 2.319 178.601 176.117 0.275 0.000 1.084 221 I CA 1.237 62.654 61.300 0.193 0.000 1.365 221 I CB -0.736 37.293 38.000 0.048 0.000 1.064 221 I HN -0.143 nan 8.210 nan 0.000 0.410 222 L N 0.354 121.692 121.223 0.192 0.000 2.046 222 L HA -0.201 4.137 4.340 -0.003 0.000 0.208 222 L C 2.502 179.645 176.870 0.456 0.000 1.077 222 L CA 1.495 56.482 54.840 0.246 0.000 0.747 222 L CB -0.693 41.536 42.059 0.283 0.000 0.896 222 L HN 0.267 nan 8.230 nan 0.000 0.432 223 E N 0.307 120.758 120.200 0.418 0.000 2.106 223 E HA -0.192 4.156 4.350 -0.003 0.000 0.192 223 E C 2.357 179.222 176.600 0.442 0.000 0.984 223 E CA 1.053 57.718 56.400 0.443 0.000 0.806 223 E CB -0.171 29.740 29.700 0.350 0.000 0.750 223 E HN 0.505 nan 8.360 nan 0.000 0.458 224 A N 0.643 123.678 122.820 0.359 0.000 1.908 224 A HA -0.159 4.159 4.320 -0.003 0.000 0.218 224 A C 1.745 179.389 177.584 0.099 0.000 1.181 224 A CA 1.285 53.457 52.037 0.226 0.000 0.627 224 A CB -0.516 18.522 19.000 0.063 0.000 0.818 224 A HN 0.184 nan 8.150 nan 0.000 0.445 225 F N -1.245 118.847 119.950 0.238 0.000 2.619 225 F HA 0.254 4.779 4.527 -0.003 0.000 0.293 225 F C 2.234 178.051 175.800 0.028 0.000 1.119 225 F CA 0.751 58.851 58.000 0.167 0.000 1.445 225 F CB 0.203 39.260 39.000 0.095 0.000 1.119 225 F HN 0.285 nan 8.300 nan 0.000 0.573 226 G N -1.284 107.715 108.800 0.332 0.000 3.228 226 G HA2 0.109 4.067 3.960 -0.003 0.000 0.245 226 G HA3 0.109 4.067 3.960 -0.003 0.000 0.245 226 G C -0.068 175.189 174.900 0.594 0.000 1.051 226 G CA -0.093 45.093 45.100 0.144 0.000 0.809 226 G HN 0.052 nan 8.290 nan 0.000 0.531 227 N N 0.318 119.314 118.700 0.493 0.000 2.384 227 N HA 0.795 5.533 4.740 -0.003 0.000 0.301 227 N C -0.488 174.887 175.510 -0.225 0.000 1.133 227 N CA -0.057 53.136 53.050 0.238 0.000 0.853 227 N CB 2.156 40.806 38.487 0.271 0.000 1.241 227 N HN 0.233 nan 8.380 nan 0.000 0.502 228 A N 0.176 122.804 122.820 -0.320 0.000 2.612 228 A HA 0.435 4.753 4.320 -0.003 0.000 0.293 228 A C -1.096 176.389 177.584 -0.165 0.000 1.075 228 A CA -0.803 50.964 52.037 -0.451 0.000 0.680 228 A CB 1.069 19.794 19.000 -0.458 0.000 1.279 228 A HN 0.535 nan 8.150 nan 0.000 0.411 229 K N 1.542 121.900 120.400 -0.070 0.000 2.402 229 K HA 0.317 4.635 4.320 -0.003 0.000 0.285 229 K C 0.359 176.908 176.600 -0.085 0.000 1.054 229 K CA 0.830 57.104 56.287 -0.022 0.000 1.001 229 K CB 0.048 32.527 32.500 -0.036 0.000 0.946 229 K HN 0.890 nan 8.250 nan 0.000 0.473 230 T N -0.122 114.412 114.554 -0.034 0.000 2.922 230 T HA 0.127 4.475 4.350 -0.003 0.000 0.281 230 T C 1.446 176.147 174.700 0.002 0.000 1.005 230 T CA -0.231 61.837 62.100 -0.054 0.000 0.982 230 T CB 1.247 70.149 68.868 0.056 0.000 1.158 230 T HN 0.579 nan 8.240 nan 0.000 0.566 231 T N -1.640 112.928 114.554 0.023 0.000 3.051 231 T HA 0.031 4.379 4.350 -0.003 0.000 0.269 231 T C 1.638 176.408 174.700 0.116 0.000 1.127 231 T CA 0.473 62.613 62.100 0.067 0.000 1.107 231 T CB -0.290 68.636 68.868 0.097 0.000 0.898 231 T HN 0.644 nan 8.240 nan 0.000 0.517 232 R N 0.475 121.087 120.500 0.187 0.000 2.254 232 R HA 0.328 4.666 4.340 -0.003 0.000 0.193 232 R C 0.038 176.412 176.300 0.123 0.000 0.929 232 R CA 0.062 56.246 56.100 0.140 0.000 1.038 232 R CB 0.317 30.701 30.300 0.139 0.000 1.009 232 R HN 0.265 nan 8.270 nan 0.000 0.512 233 N N -0.336 118.437 118.700 0.121 0.000 2.537 233 N HA 0.087 4.825 4.740 -0.003 0.000 0.281 233 N C -0.947 174.628 175.510 0.108 0.000 1.097 233 N CA -0.312 52.818 53.050 0.133 0.000 0.964 233 N CB 1.012 39.588 38.487 0.148 0.000 1.588 233 N HN -0.111 nan 8.380 nan 0.000 0.511 234 N N 1.493 120.255 118.700 0.105 0.000 2.453 234 N HA -0.109 4.629 4.740 -0.003 0.000 0.183 234 N C -0.144 175.475 175.510 0.182 0.000 1.041 234 N CA 0.593 53.703 53.050 0.100 0.000 0.900 234 N CB 0.071 38.599 38.487 0.069 0.000 0.961 234 N HN 0.385 nan 8.380 nan 0.000 0.443 235 N N 0.103 118.918 118.700 0.192 0.000 2.599 235 N HA 0.073 4.811 4.740 -0.003 0.000 0.309 235 N C -1.370 174.254 175.510 0.190 0.000 1.743 235 N CA -0.160 53.050 53.050 0.266 0.000 0.918 235 N CB 0.454 39.084 38.487 0.239 0.000 1.339 235 N HN -0.154 nan 8.380 nan 0.000 0.493 236 S N -0.060 115.719 115.700 0.132 0.000 2.525 236 S HA 0.143 4.611 4.470 -0.003 0.000 0.285 236 S C 0.021 174.687 174.600 0.111 0.000 1.283 236 S CA -0.169 58.095 58.200 0.106 0.000 1.072 236 S CB 0.060 63.315 63.200 0.092 0.000 0.867 236 S HN 0.360 nan 8.310 nan 0.000 0.492 237 S N 5.300 121.051 115.700 0.086 0.000 2.465 237 S HA 0.206 4.675 4.470 -0.003 0.000 0.280 237 S C 0.774 175.423 174.600 0.083 0.000 1.232 237 S CA -0.627 57.600 58.200 0.046 0.000 1.066 237 S CB 0.367 63.482 63.200 -0.141 0.000 0.929 237 S HN 0.576 nan 8.310 nan 0.000 0.494 238 R N 2.025 122.674 120.500 0.250 0.000 2.466 238 R HA 0.249 4.587 4.340 -0.003 0.000 0.279 238 R C -0.419 176.074 176.300 0.321 0.000 0.976 238 R CA -0.061 56.200 56.100 0.269 0.000 1.081 238 R CB -0.833 29.676 30.300 0.349 0.000 1.215 238 R HN 0.657 nan 8.270 nan 0.000 0.546 239 F N -3.200 116.807 119.950 0.095 0.000 2.619 239 F HA 0.777 5.302 4.527 -0.003 0.000 0.308 239 F C -0.060 175.847 175.800 0.179 0.000 1.097 239 F CA -1.977 56.084 58.000 0.103 0.000 0.953 239 F CB 0.732 39.739 39.000 0.012 0.000 1.287 239 F HN -0.101 nan 8.300 nan 0.000 0.446 240 G N 1.554 110.423 108.800 0.115 0.000 2.451 240 G HA2 0.633 4.591 3.960 -0.003 0.000 0.303 240 G HA3 0.633 4.591 3.960 -0.003 0.000 0.303 240 G C -1.609 173.471 174.900 0.300 0.000 1.166 240 G CA -1.023 44.130 45.100 0.089 0.000 0.884 240 G HN 1.026 nan 8.290 nan 0.000 0.514 241 K N -0.739 119.804 120.400 0.238 0.000 2.508 241 K HA 0.651 4.969 4.320 -0.003 0.000 0.260 241 K C -2.135 174.696 176.600 0.385 0.000 0.949 241 K CA -1.007 55.462 56.287 0.304 0.000 0.834 241 K CB 2.415 35.069 32.500 0.257 0.000 1.365 241 K HN 0.324 nan 8.250 nan 0.000 0.437 242 F N 3.100 123.147 119.950 0.160 0.000 2.460 242 F HA 0.450 4.975 4.527 -0.003 0.000 0.341 242 F C -1.157 174.666 175.800 0.039 0.000 1.130 242 F CA -1.334 56.742 58.000 0.127 0.000 0.962 242 F CB 1.047 40.159 39.000 0.186 0.000 1.171 242 F HN 0.405 nan 8.300 nan 0.000 0.436 243 I N 5.587 125.930 120.570 -0.377 0.000 2.312 243 I HA 0.236 4.404 4.170 -0.003 0.000 0.290 243 I C -0.196 175.636 176.117 -0.474 0.000 1.008 243 I CA -0.467 60.653 61.300 -0.299 0.000 1.226 243 I CB 1.227 39.135 38.000 -0.153 0.000 1.371 243 I HN 0.578 nan 8.210 nan 0.000 0.468 244 E N 6.271 126.255 120.200 -0.360 0.000 2.089 244 E HA 0.333 4.681 4.350 -0.003 0.000 0.284 244 E C -0.509 176.017 176.600 -0.125 0.000 1.023 244 E CA -0.656 55.587 56.400 -0.261 0.000 0.819 244 E CB 1.673 31.174 29.700 -0.331 0.000 1.076 244 E HN 0.322 nan 8.360 nan 0.000 0.396 245 I N 3.497 124.046 120.570 -0.036 0.000 2.352 245 I HA 0.080 4.248 4.170 -0.003 0.000 0.290 245 I C 0.395 176.397 176.117 -0.193 0.000 1.036 245 I CA -0.115 61.097 61.300 -0.147 0.000 1.336 245 I CB 0.634 38.563 38.000 -0.118 0.000 1.407 245 I HN 0.419 nan 8.210 nan 0.000 0.497 246 Q N 5.481 125.087 119.800 -0.324 0.000 2.245 246 Q HA 0.627 4.965 4.340 -0.003 0.000 0.256 246 Q C -1.431 174.339 176.000 -0.383 0.000 0.942 246 Q CA -0.373 55.348 55.803 -0.136 0.000 0.896 246 Q CB 2.150 30.858 28.738 -0.050 0.000 1.272 246 Q HN 0.377 nan 8.270 nan 0.000 0.442 247 F N 1.277 121.344 119.950 0.195 0.000 2.551 247 F HA 0.310 4.835 4.527 -0.003 0.000 0.316 247 F C 0.359 176.277 175.800 0.196 0.000 1.089 247 F CA -1.222 56.904 58.000 0.212 0.000 0.915 247 F CB 1.228 40.386 39.000 0.262 0.000 1.186 247 F HN 0.572 nan 8.300 nan 0.000 0.456 248 N N -0.205 118.709 118.700 0.356 0.000 2.322 248 N HA 0.101 4.839 4.740 -0.003 0.000 0.270 248 N C 0.649 176.340 175.510 0.302 0.000 1.286 248 N CA -0.252 52.949 53.050 0.251 0.000 0.948 248 N CB 0.039 38.650 38.487 0.207 0.000 1.164 248 N HN 0.467 nan 8.380 nan 0.000 0.551 249 S N -1.256 114.569 115.700 0.209 0.000 2.419 249 S HA -0.084 4.384 4.470 -0.003 0.000 0.233 249 S C 1.634 176.370 174.600 0.226 0.000 1.016 249 S CA 1.032 59.376 58.200 0.241 0.000 0.974 249 S CB -0.652 62.630 63.200 0.137 0.000 0.786 249 S HN 0.775 nan 8.310 nan 0.000 0.492 250 A N 0.402 123.358 122.820 0.226 0.000 2.208 250 A HA 0.494 4.812 4.320 -0.003 0.000 0.209 250 A C 1.740 179.352 177.584 0.046 0.000 1.161 250 A CA 0.811 52.961 52.037 0.188 0.000 0.782 250 A CB -0.681 18.537 19.000 0.364 0.000 0.816 250 A HN 0.929 nan 8.150 nan 0.000 0.477 251 G N -2.162 106.718 108.800 0.132 0.000 2.157 251 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.239 251 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.239 251 G C -0.050 174.967 174.900 0.194 0.000 0.982 251 G CA 0.061 45.190 45.100 0.048 0.000 0.650 251 G HN 0.311 nan 8.290 nan 0.000 0.527 252 F N 1.010 121.156 119.950 0.328 0.000 2.375 252 F HA 0.567 5.092 4.527 -0.003 0.000 0.333 252 F C 1.523 177.504 175.800 0.302 0.000 1.104 252 F CA -1.043 57.126 58.000 0.283 0.000 1.149 252 F CB 0.693 39.776 39.000 0.137 0.000 1.190 252 F HN -0.040 nan 8.300 nan 0.000 0.533 253 I N 2.240 123.014 120.570 0.340 0.000 2.668 253 I HA -0.052 4.116 4.170 -0.003 0.000 0.285 253 I C 0.864 176.980 176.117 -0.001 0.000 1.168 253 I CA 0.571 61.839 61.300 -0.054 0.000 1.424 253 I CB 0.535 38.448 38.000 -0.146 0.000 1.377 253 I HN 0.765 nan 8.210 nan 0.000 0.560 254 S N 3.300 118.958 115.700 -0.070 0.000 2.632 254 S HA 0.483 4.951 4.470 -0.003 0.000 0.237 254 S C 0.436 174.991 174.600 -0.075 0.000 1.037 254 S CA 0.103 58.286 58.200 -0.028 0.000 1.009 254 S CB 1.192 64.407 63.200 0.026 0.000 0.974 254 S HN 0.926 nan 8.310 nan 0.000 0.544 255 G N 0.267 108.988 108.800 -0.131 0.000 2.336 255 G HA2 0.640 4.598 3.960 -0.003 0.000 0.286 255 G HA3 0.640 4.598 3.960 -0.003 0.000 0.286 255 G C -1.822 172.980 174.900 -0.162 0.000 1.269 255 G CA -0.073 44.951 45.100 -0.127 0.000 0.873 255 G HN 1.157 nan 8.290 nan 0.000 0.494 256 A N -1.381 121.356 122.820 -0.138 0.000 2.599 256 A HA 0.933 5.251 4.320 -0.003 0.000 0.294 256 A C -0.821 176.684 177.584 -0.132 0.000 1.055 256 A CA 0.450 52.402 52.037 -0.141 0.000 0.683 256 A CB 1.340 20.258 19.000 -0.138 0.000 1.278 256 A HN 2.052 nan 8.150 nan 0.000 0.412 257 S N 0.239 115.856 115.700 -0.139 0.000 2.548 257 S HA 0.716 5.184 4.470 -0.003 0.000 0.276 257 S C -1.362 173.160 174.600 -0.130 0.000 1.129 257 S CA -0.403 57.716 58.200 -0.136 0.000 0.931 257 S CB 0.619 63.736 63.200 -0.139 0.000 1.068 257 S HN 0.623 nan 8.310 nan 0.000 0.480 258 I N 3.855 124.355 120.570 -0.117 0.000 2.355 258 I HA 0.352 4.520 4.170 -0.003 0.000 0.288 258 I C -0.279 175.777 176.117 -0.102 0.000 0.999 258 I CA -0.577 60.670 61.300 -0.088 0.000 1.163 258 I CB 1.710 39.666 38.000 -0.073 0.000 1.316 258 I HN 0.510 nan 8.210 nan 0.000 0.454 259 Q N 5.832 125.582 119.800 -0.084 0.000 2.322 259 Q HA 0.318 4.656 4.340 -0.003 0.000 0.256 259 Q C -0.357 175.446 176.000 -0.328 0.000 0.960 259 Q CA -0.346 55.329 55.803 -0.214 0.000 0.934 259 Q CB 1.097 29.721 28.738 -0.191 0.000 1.200 259 Q HN 0.714 nan 8.270 nan 0.000 0.435 260 S N 3.284 118.818 115.700 -0.276 0.000 2.565 260 S HA 0.655 5.123 4.470 -0.003 0.000 0.290 260 S C -0.719 173.704 174.600 -0.295 0.000 1.150 260 S CA -0.551 57.600 58.200 -0.080 0.000 1.058 260 S CB 0.716 64.033 63.200 0.195 0.000 1.032 260 S HN 0.507 nan 8.310 nan 0.000 0.510 261 Y N 0.445 120.929 120.300 0.306 0.000 2.654 261 Y HA 0.503 5.051 4.550 -0.003 0.000 0.327 261 Y C 0.451 176.489 175.900 0.229 0.000 1.122 261 Y CA -1.542 56.677 58.100 0.198 0.000 1.227 261 Y CB 0.462 38.999 38.460 0.129 0.000 1.370 261 Y HN 0.585 nan 8.280 nan 0.000 0.528 262 L N 2.238 123.677 121.223 0.361 0.000 2.578 262 L HA -0.068 4.270 4.340 -0.003 0.000 0.279 262 L C -0.325 176.679 176.870 0.222 0.000 1.227 262 L CA 0.176 55.166 54.840 0.250 0.000 0.900 262 L CB -0.163 42.038 42.059 0.237 0.000 1.144 262 L HN 0.334 nan 8.230 nan 0.000 0.496 263 L N 3.983 125.286 121.223 0.134 0.000 2.334 263 L HA 0.168 4.506 4.340 -0.003 0.000 0.277 263 L C 0.674 177.609 176.870 0.109 0.000 1.075 263 L CA 0.121 54.996 54.840 0.057 0.000 0.804 263 L CB 1.127 43.060 42.059 -0.209 0.000 1.174 263 L HN 0.544 nan 8.230 nan 0.000 0.438 264 E N 3.769 124.068 120.200 0.166 0.000 2.127 264 E HA -0.046 4.302 4.350 -0.003 0.000 0.295 264 E C 0.383 177.109 176.600 0.209 0.000 1.155 264 E CA 0.073 56.575 56.400 0.170 0.000 1.201 264 E CB 0.141 29.937 29.700 0.161 0.000 1.083 264 E HN 0.632 nan 8.360 nan 0.000 0.472 265 K N 0.364 120.855 120.400 0.151 0.000 2.152 265 K HA -0.152 4.166 4.320 -0.003 0.000 0.206 265 K C 2.115 178.774 176.600 0.098 0.000 1.048 265 K CA 1.418 57.790 56.287 0.143 0.000 0.933 265 K CB -0.032 32.532 32.500 0.107 0.000 0.721 265 K HN 0.351 nan 8.250 nan 0.000 0.447 266 S N 1.379 117.129 115.700 0.083 0.000 2.419 266 S HA -0.204 4.264 4.470 -0.003 0.000 0.235 266 S C 2.004 176.622 174.600 0.029 0.000 1.019 266 S CA 1.092 59.324 58.200 0.054 0.000 0.982 266 S CB -0.286 62.958 63.200 0.072 0.000 0.789 266 S HN 0.303 nan 8.310 nan 0.000 0.490 267 R N 1.029 121.536 120.500 0.011 0.000 2.152 267 R HA -0.036 4.303 4.340 -0.003 0.000 0.232 267 R C 1.834 178.001 176.300 -0.222 0.000 1.117 267 R CA 1.306 57.325 56.100 -0.135 0.000 0.981 267 R CB -0.616 29.481 30.300 -0.338 0.000 0.870 267 R HN 0.393 nan 8.270 nan 0.000 0.451 268 V N 0.606 120.417 119.914 -0.171 0.000 2.392 268 V HA -0.236 3.882 4.120 -0.003 0.000 0.249 268 V C 2.174 177.848 176.094 -0.699 0.000 1.059 268 V CA 1.929 64.000 62.300 -0.382 0.000 1.051 268 V CB -0.156 31.469 31.823 -0.329 0.000 0.658 268 V HN 0.519 nan 8.190 nan 0.000 0.455 269 V N -4.641 114.946 119.914 -0.545 0.000 3.644 269 V HA 0.415 4.533 4.120 -0.003 0.000 0.267 269 V C 0.193 176.200 176.094 -0.145 0.000 1.277 269 V CA 0.095 61.985 62.300 -0.683 0.000 1.096 269 V CB 0.239 31.848 31.823 -0.358 0.000 0.828 269 V HN 0.319 nan 8.190 nan 0.000 0.446 270 F N 1.314 121.129 119.950 -0.224 0.000 2.615 270 F HA 0.795 5.320 4.527 -0.003 0.000 0.312 270 F C -1.645 174.073 175.800 -0.136 0.000 1.119 270 F CA -0.703 57.229 58.000 -0.114 0.000 0.979 270 F CB 2.038 40.998 39.000 -0.066 0.000 1.266 270 F HN 0.074 nan 8.300 nan 0.000 0.444 271 Q N 3.107 122.202 119.800 -1.174 0.000 2.331 271 Q HA 0.510 4.848 4.340 -0.003 0.000 0.272 271 Q C -0.704 174.587 176.000 -1.182 0.000 1.062 271 Q CA -0.936 54.271 55.803 -0.994 0.000 0.806 271 Q CB 2.189 30.634 28.738 -0.489 0.000 1.312 271 Q HN 0.624 nan 8.270 nan 0.000 0.431 272 S N 1.037 116.243 115.700 -0.823 0.000 2.576 272 S HA 0.005 4.473 4.470 -0.003 0.000 0.272 272 S C 0.035 174.459 174.600 -0.293 0.000 1.352 272 S CA -0.481 57.468 58.200 -0.419 0.000 1.021 272 S CB 0.352 63.412 63.200 -0.235 0.000 0.887 272 S HN 0.616 nan 8.310 nan 0.000 0.542 273 E N 0.694 120.795 120.200 -0.165 0.000 2.568 273 E HA -0.051 4.297 4.350 -0.003 0.000 0.262 273 E C 1.017 177.544 176.600 -0.122 0.000 0.961 273 E CA 1.108 57.437 56.400 -0.119 0.000 0.945 273 E CB 0.128 29.791 29.700 -0.062 0.000 0.924 273 E HN 0.932 nan 8.360 nan 0.000 0.467 274 T N -0.013 114.474 114.554 -0.111 0.000 7.776 274 T HA -0.285 4.063 4.350 -0.003 0.000 0.302 274 T C 0.135 174.759 174.700 -0.127 0.000 2.093 274 T CA 1.561 63.600 62.100 -0.102 0.000 3.360 274 T CB -1.486 67.335 68.868 -0.077 0.000 1.793 274 T HN 0.625 nan 8.240 nan 0.000 1.076 275 E N 1.121 121.219 120.200 -0.170 0.000 2.351 275 E HA 0.597 4.945 4.350 -0.003 0.000 0.255 275 E C 0.496 176.986 176.600 -0.182 0.000 1.188 275 E CA -0.851 55.434 56.400 -0.192 0.000 0.940 275 E CB 0.662 30.203 29.700 -0.265 0.000 1.094 275 E HN 0.432 nan 8.360 nan 0.000 0.474 276 R N 0.862 121.255 120.500 -0.178 0.000 2.832 276 R HA 0.273 4.611 4.340 -0.003 0.000 0.271 276 R C 0.217 176.458 176.300 -0.099 0.000 0.996 276 R CA -0.916 55.107 56.100 -0.128 0.000 0.977 276 R CB 1.028 31.176 30.300 -0.253 0.000 1.168 276 R HN 0.442 nan 8.270 nan 0.000 0.482 277 N N 0.424 119.172 118.700 0.081 0.000 2.255 277 N HA -0.029 4.709 4.740 -0.003 0.000 0.253 277 N C -0.586 174.969 175.510 0.075 0.000 1.313 277 N CA 0.348 53.369 53.050 -0.048 0.000 0.912 277 N CB 0.196 38.606 38.487 -0.129 0.000 1.145 277 N HN 0.231 nan 8.380 nan 0.000 0.511 278 Y N 1.062 121.494 120.300 0.221 0.000 2.683 278 Y HA -0.056 4.492 4.550 -0.003 0.000 0.340 278 Y C 1.983 178.076 175.900 0.321 0.000 1.245 278 Y CA 0.259 58.467 58.100 0.180 0.000 1.485 278 Y CB 0.225 38.791 38.460 0.176 0.000 1.328 278 Y HN 0.508 nan 8.280 nan 0.000 0.603 279 H N 1.778 121.084 119.070 0.394 0.000 2.352 279 H HA -0.184 4.370 4.556 -0.003 0.000 0.299 279 H C 2.235 177.684 175.328 0.202 0.000 1.097 279 H CA 1.964 58.207 56.048 0.324 0.000 1.311 279 H CB -0.235 29.643 29.762 0.193 0.000 1.377 279 H HN 0.754 nan 8.280 nan 0.000 0.504 280 I N 0.775 121.393 120.570 0.081 0.000 2.236 280 I HA -0.300 3.868 4.170 -0.003 0.000 0.249 280 I C 1.848 177.780 176.117 -0.307 0.000 1.102 280 I CA 1.112 62.248 61.300 -0.272 0.000 1.365 280 I CB -0.505 36.979 38.000 -0.859 0.000 1.051 280 I HN -0.056 nan 8.210 nan 0.000 0.420 281 F N -0.294 119.567 119.950 -0.148 0.000 2.095 281 F HA -0.265 4.260 4.527 -0.003 0.000 0.298 281 F C 2.236 177.754 175.800 -0.469 0.000 1.104 281 F CA 2.044 59.818 58.000 -0.377 0.000 1.232 281 F CB -1.291 37.372 39.000 -0.561 0.000 0.987 281 F HN 0.118 nan 8.300 nan 0.000 0.475 282 Y N -0.335 120.026 120.300 0.101 0.000 2.263 282 Y HA -0.165 4.383 4.550 -0.003 0.000 0.292 282 Y C 2.464 178.303 175.900 -0.103 0.000 1.130 282 Y CA 0.986 59.094 58.100 0.014 0.000 1.179 282 Y CB -1.006 37.487 38.460 0.054 0.000 0.998 282 Y HN 0.092 nan 8.280 nan 0.000 0.532 283 Q N -0.193 119.605 119.800 -0.004 0.000 2.050 283 Q HA -0.207 4.131 4.340 -0.003 0.000 0.202 283 Q C 2.259 177.798 176.000 -0.768 0.000 0.980 283 Q CA 1.728 57.433 55.803 -0.164 0.000 0.840 283 Q CB -0.474 28.291 28.738 0.045 0.000 0.898 283 Q HN 0.427 nan 8.270 nan 0.000 0.424 284 L N 0.804 121.467 121.223 -0.932 0.000 1.989 284 L HA -0.189 4.149 4.340 -0.003 0.000 0.211 284 L C 2.032 178.482 176.870 -0.701 0.000 1.071 284 L CA 1.676 55.768 54.840 -1.247 0.000 0.749 284 L CB -0.493 41.142 42.059 -0.707 0.000 0.890 284 L HN 0.201 nan 8.230 nan 0.000 0.431 285 L N -0.828 120.169 121.223 -0.377 0.000 2.131 285 L HA -0.171 4.167 4.340 -0.003 0.000 0.210 285 L C 2.555 179.337 176.870 -0.147 0.000 1.092 285 L CA 1.110 55.837 54.840 -0.188 0.000 0.759 285 L CB -0.923 41.095 42.059 -0.068 0.000 0.903 285 L HN 0.415 nan 8.230 nan 0.000 0.435 286 A N -0.218 122.505 122.820 -0.163 0.000 1.935 286 A HA 0.060 4.378 4.320 -0.003 0.000 0.214 286 A C 2.230 179.756 177.584 -0.098 0.000 1.178 286 A CA 1.318 53.304 52.037 -0.085 0.000 0.640 286 A CB -0.602 18.380 19.000 -0.030 0.000 0.825 286 A HN 0.401 nan 8.150 nan 0.000 0.447 287 G N -1.113 107.558 108.800 -0.215 0.000 3.020 287 G HA2 0.440 4.398 3.960 -0.003 0.000 0.217 287 G HA3 0.440 4.398 3.960 -0.003 0.000 0.217 287 G C 0.641 175.577 174.900 0.060 0.000 1.144 287 G CA 0.638 45.733 45.100 -0.009 0.000 0.760 287 G HN 0.710 nan 8.290 nan 0.000 0.548 288 A N 1.177 123.903 122.820 -0.156 0.000 2.445 288 A HA 0.530 4.848 4.320 -0.003 0.000 0.242 288 A C 1.160 178.759 177.584 0.024 0.000 1.075 288 A CA 0.384 52.401 52.037 -0.033 0.000 0.777 288 A CB -0.072 18.845 19.000 -0.138 0.000 1.013 288 A HN 0.541 nan 8.150 nan 0.000 0.493 289 T N -0.584 114.002 114.554 0.054 0.000 2.734 289 T HA 0.382 4.730 4.350 -0.003 0.000 0.314 289 T C 1.464 176.176 174.700 0.021 0.000 1.057 289 T CA 0.048 62.172 62.100 0.040 0.000 1.047 289 T CB 0.516 69.412 68.868 0.046 0.000 0.991 289 T HN 1.298 nan 8.240 nan 0.000 0.540 290 A N 0.872 123.701 122.820 0.017 0.000 1.883 290 A HA 0.112 4.430 4.320 -0.003 0.000 0.217 290 A C 2.447 180.032 177.584 0.003 0.000 1.186 290 A CA 1.975 54.017 52.037 0.007 0.000 0.624 290 A CB -1.588 nan 19.000 nan 0.000 0.822 290 A HN 1.170 nan 8.150 nan 0.000 0.444 291 E N -1.460 118.744 120.200 0.007 0.000 2.498 291 E HA 0.367 4.715 4.350 -0.003 0.000 0.203 291 E C 1.553 178.161 176.600 0.013 0.000 1.013 291 E CA 1.314 57.714 56.400 0.001 0.000 0.927 291 E CB -1.141 nan 29.700 nan 0.000 1.012 291 E HN 0.856 nan 8.360 nan 0.000 0.482 292 E N 1.997 122.213 120.200 0.027 0.000 2.031 292 E HA -0.234 4.114 4.350 -0.003 0.000 0.193 292 E C 2.090 178.707 176.600 0.029 0.000 0.994 292 E CA 1.547 57.972 56.400 0.042 0.000 0.800 292 E CB -0.687 nan 29.700 nan 0.000 0.752 292 E HN 0.535 nan 8.360 nan 0.000 0.447 293 K N -0.092 120.315 120.400 0.012 0.000 2.147 293 K HA -0.115 4.203 4.320 -0.003 0.000 0.205 293 K C 2.631 179.234 176.600 0.005 0.000 1.049 293 K CA 1.399 57.695 56.287 0.014 0.000 0.936 293 K CB -0.002 32.502 32.500 0.007 0.000 0.722 293 K HN 0.199 nan 8.250 nan 0.000 0.446 294 K N 0.385 120.768 120.400 -0.029 0.000 2.031 294 K HA -0.011 4.307 4.320 -0.003 0.000 0.205 294 K C 2.260 178.765 176.600 -0.159 0.000 1.049 294 K CA 1.019 57.249 56.287 -0.096 0.000 0.939 294 K CB -0.641 31.814 32.500 -0.076 0.000 0.717 294 K HN 0.360 nan 8.250 nan 0.000 0.438 295 A N 0.662 123.446 122.820 -0.060 0.000 1.972 295 A HA 0.014 4.332 4.320 -0.003 0.000 0.219 295 A C 2.040 179.666 177.584 0.070 0.000 1.169 295 A CA 1.425 53.452 52.037 -0.016 0.000 0.635 295 A CB -0.435 18.584 19.000 0.032 0.000 0.810 295 A HN 0.369 nan 8.150 nan 0.000 0.446 296 L N -1.736 119.550 121.223 0.104 0.000 2.640 296 L HA 0.154 4.492 4.340 -0.003 0.000 0.230 296 L C -0.002 177.118 176.870 0.417 0.000 1.123 296 L CA -0.110 54.867 54.840 0.229 0.000 0.900 296 L CB -0.354 41.795 42.059 0.150 0.000 1.146 296 L HN 0.538 nan 8.230 nan 0.000 0.484 297 H N -0.230 118.928 119.070 0.146 0.000 2.770 297 H HA -0.132 4.422 4.556 -0.003 0.000 0.309 297 H C 0.014 175.528 175.328 0.311 0.000 1.206 297 H CA 0.179 56.334 56.048 0.178 0.000 1.147 297 H CB -1.793 28.019 29.762 0.083 0.000 1.422 297 H HN 0.301 nan 8.280 nan 0.000 0.420 298 L N -0.252 121.141 121.223 0.283 0.000 2.379 298 L HA 0.657 4.995 4.340 -0.003 0.000 0.269 298 L C 0.987 177.996 176.870 0.231 0.000 1.084 298 L CA 0.015 55.035 54.840 0.299 0.000 0.802 298 L CB 1.541 43.678 42.059 0.131 0.000 1.175 298 L HN 0.301 nan 8.230 nan 0.000 0.448 299 A N 1.280 124.264 122.820 0.273 0.000 3.458 299 A HA 0.866 5.184 4.320 -0.003 0.000 0.205 299 A C 0.001 177.674 177.584 0.150 0.000 1.060 299 A CA 0.005 52.099 52.037 0.094 0.000 0.829 299 A CB 0.177 19.133 19.000 -0.073 0.000 1.419 299 A HN 0.681 nan 8.150 nan 0.000 0.644 300 G N -1.225 107.607 108.800 0.053 0.000 2.528 300 G HA2 0.488 4.446 3.960 -0.003 0.000 0.289 300 G HA3 0.488 4.446 3.960 -0.003 0.000 0.289 300 G C -1.694 173.296 174.900 0.150 0.000 1.192 300 G CA -0.844 44.307 45.100 0.086 0.000 0.921 300 G HN 0.349 nan 8.290 nan 0.000 0.512 301 P HA 0.001 nan 4.420 nan 0.000 0.220 301 P C 1.633 179.022 177.300 0.147 0.000 1.148 301 P CA 1.793 65.028 63.100 0.226 0.000 0.803 301 P CB 0.046 31.878 31.700 0.220 0.000 0.782 302 E N 0.408 120.641 120.200 0.055 0.000 2.265 302 E HA -0.133 4.215 4.350 -0.003 0.000 0.196 302 E C 1.972 178.521 176.600 -0.085 0.000 0.996 302 E CA 1.497 57.895 56.400 -0.003 0.000 0.832 302 E CB -1.531 28.160 29.700 -0.016 0.000 0.756 302 E HN 0.272 nan 8.360 nan 0.000 0.491 303 S N -0.840 114.734 115.700 -0.210 0.000 2.562 303 S HA 0.293 4.761 4.470 -0.003 0.000 0.221 303 S C -0.349 173.868 174.600 -0.638 0.000 0.975 303 S CA -0.183 57.741 58.200 -0.460 0.000 0.918 303 S CB -0.100 62.688 63.200 -0.686 0.000 0.772 303 S HN 0.445 nan 8.310 nan 0.000 0.531 304 F N 1.793 121.700 119.950 -0.073 0.000 2.449 304 F HA 0.396 4.921 4.527 -0.003 0.000 0.342 304 F C 1.204 176.939 175.800 -0.110 0.000 1.127 304 F CA -1.633 56.297 58.000 -0.117 0.000 0.975 304 F CB 0.632 39.545 39.000 -0.146 0.000 1.146 304 F HN -0.039 nan 8.300 nan 0.000 0.444 305 N N 1.940 120.651 118.700 0.018 0.000 2.132 305 N HA -0.290 4.448 4.740 -0.003 0.000 0.191 305 N C 1.195 176.767 175.510 0.103 0.000 1.015 305 N CA 1.587 54.632 53.050 -0.009 0.000 0.864 305 N CB -0.063 38.362 38.487 -0.103 0.000 1.006 305 N HN 0.527 nan 8.380 nan 0.000 0.430 306 Y N 0.230 120.507 120.300 -0.038 0.000 2.578 306 Y HA 0.134 4.682 4.550 -0.003 0.000 0.297 306 Y C 1.234 177.001 175.900 -0.222 0.000 1.176 306 Y CA 0.445 58.443 58.100 -0.170 0.000 1.315 306 Y CB 0.149 38.423 38.460 -0.310 0.000 1.031 306 Y HN 0.179 nan 8.280 nan 0.000 0.524 307 L N -0.627 120.618 121.223 0.037 0.000 3.217 307 L HA 0.155 4.493 4.340 -0.003 0.000 0.288 307 L C 0.779 177.702 176.870 0.089 0.000 1.202 307 L CA 0.191 55.050 54.840 0.031 0.000 1.027 307 L CB 0.184 42.233 42.059 -0.017 0.000 1.427 307 L HN 0.050 nan 8.230 nan 0.000 0.600 308 N N -0.581 118.155 118.700 0.059 0.000 2.235 308 N HA -0.029 4.709 4.740 -0.003 0.000 0.231 308 N C 1.048 176.565 175.510 0.012 0.000 1.177 308 N CA -0.206 52.867 53.050 0.038 0.000 0.874 308 N CB 0.179 38.680 38.487 0.023 0.000 1.097 308 N HN 0.443 nan 8.380 nan 0.000 0.518 309 Q N -0.629 119.169 119.800 -0.005 0.000 2.349 309 Q HA 0.125 4.463 4.340 -0.003 0.000 0.209 309 Q C 1.354 177.314 176.000 -0.066 0.000 0.920 309 Q CA 1.004 56.791 55.803 -0.026 0.000 0.901 309 Q CB -0.149 28.576 28.738 -0.022 0.000 1.021 309 Q HN 0.309 nan 8.270 nan 0.000 0.519 310 S N 0.127 115.770 115.700 -0.096 0.000 2.470 310 S HA 0.225 4.693 4.470 -0.003 0.000 0.225 310 S C 1.657 176.208 174.600 -0.082 0.000 1.006 310 S CA 0.545 58.668 58.200 -0.128 0.000 0.934 310 S CB 0.010 63.113 63.200 -0.162 0.000 0.778 310 S HN 0.708 nan 8.310 nan 0.000 0.517 311 G N 0.134 108.903 108.800 -0.051 0.000 2.176 311 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.253 311 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.253 311 G C 0.124 174.997 174.900 -0.044 0.000 0.979 311 G CA 0.032 45.109 45.100 -0.038 0.000 0.641 311 G HN 1.128 nan 8.290 nan 0.000 0.530 312 C N 1.013 120.278 119.300 -0.059 0.000 2.346 312 C HA 0.725 5.183 4.460 -0.003 0.000 0.326 312 C C 1.564 176.493 174.990 -0.103 0.000 1.224 312 C CA 0.153 59.121 59.018 -0.084 0.000 1.408 312 C CB 0.834 28.508 27.740 -0.110 0.000 2.089 312 C HN 1.219 nan 8.230 nan 0.000 0.456 313 V N 1.303 121.159 119.914 -0.096 0.000 3.556 313 V HA 0.459 4.577 4.120 -0.003 0.000 0.287 313 V C 0.023 175.972 176.094 -0.241 0.000 1.422 313 V CA 0.573 62.802 62.300 -0.118 0.000 1.038 313 V CB -0.075 31.806 31.823 0.096 0.000 0.850 313 V HN 0.776 nan 8.190 nan 0.000 0.437 314 D N 0.627 120.917 120.400 -0.184 0.000 2.671 314 D HA 0.637 5.275 4.640 -0.003 0.000 0.232 314 D C -0.943 175.273 176.300 -0.140 0.000 1.114 314 D CA -0.238 53.677 54.000 -0.142 0.000 0.858 314 D CB 3.020 43.777 40.800 -0.072 0.000 1.544 314 D HN 0.179 nan 8.370 nan 0.000 0.471 315 I N 1.047 121.547 120.570 -0.116 0.000 2.378 315 I HA 0.265 4.433 4.170 -0.003 0.000 0.291 315 I C 0.805 176.888 176.117 -0.057 0.000 0.992 315 I CA -0.914 60.335 61.300 -0.085 0.000 1.154 315 I CB 1.421 39.376 38.000 -0.076 0.000 1.315 315 I HN 0.260 nan 8.210 nan 0.000 0.448 316 K N 4.112 124.484 120.400 -0.046 0.000 2.491 316 K HA 0.351 4.669 4.320 -0.003 0.000 0.279 316 K C 1.139 177.723 176.600 -0.025 0.000 1.026 316 K CA 0.527 56.794 56.287 -0.034 0.000 1.070 316 K CB -0.541 31.939 32.500 -0.033 0.000 0.887 316 K HN 1.184 nan 8.250 nan 0.000 0.481 317 G N -0.109 108.679 108.800 -0.020 0.000 2.179 317 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.260 317 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.260 317 G C 0.138 175.029 174.900 -0.016 0.000 0.977 317 G CA 0.254 45.347 45.100 -0.012 0.000 0.641 317 G HN 1.415 nan 8.290 nan 0.000 0.533 318 V N 0.844 120.740 119.914 -0.029 0.000 2.448 318 V HA 0.725 4.843 4.120 -0.003 0.000 0.295 318 V C 0.369 176.444 176.094 -0.031 0.000 1.025 318 V CA 0.020 62.297 62.300 -0.040 0.000 0.859 318 V CB 1.851 33.629 31.823 -0.076 0.000 0.988 318 V HN 0.548 nan 8.190 nan 0.000 0.431 319 S N 2.945 118.634 115.700 -0.018 0.000 2.423 319 S HA 0.206 4.674 4.470 -0.003 0.000 0.317 319 S C 0.803 175.407 174.600 0.006 0.000 1.065 319 S CA -0.675 57.523 58.200 -0.002 0.000 1.111 319 S CB 0.431 63.636 63.200 0.008 0.000 0.968 319 S HN 0.750 nan 8.310 nan 0.000 0.474 320 D N 3.135 123.541 120.400 0.010 0.000 2.178 320 D HA -0.118 4.520 4.640 -0.003 0.000 0.201 320 D C 2.102 178.438 176.300 0.059 0.000 0.980 320 D CA 1.593 55.614 54.000 0.034 0.000 0.842 320 D CB -0.087 40.749 40.800 0.061 0.000 0.948 320 D HN 0.736 nan 8.370 nan 0.000 0.472 321 S N 0.867 116.596 115.700 0.048 0.000 2.368 321 S HA -0.126 4.342 4.470 -0.003 0.000 0.224 321 S C 1.739 176.404 174.600 0.108 0.000 1.029 321 S CA 0.697 58.944 58.200 0.078 0.000 0.988 321 S CB -0.121 63.108 63.200 0.048 0.000 0.838 321 S HN 0.120 nan 8.310 nan 0.000 0.462 322 E N 1.359 121.599 120.200 0.067 0.000 2.106 322 E HA -0.057 4.291 4.350 -0.003 0.000 0.192 322 E C 2.139 178.778 176.600 0.065 0.000 0.984 322 E CA 0.856 57.289 56.400 0.056 0.000 0.806 322 E CB -0.309 29.411 29.700 0.033 0.000 0.750 322 E HN 0.594 nan 8.360 nan 0.000 0.458 323 E N 0.397 120.639 120.200 0.069 0.000 2.110 323 E HA -0.142 4.206 4.350 -0.003 0.000 0.193 323 E C 1.872 178.553 176.600 0.135 0.000 0.988 323 E CA 0.397 56.842 56.400 0.074 0.000 0.804 323 E CB -0.431 29.294 29.700 0.042 0.000 0.745 323 E HN 0.200 nan 8.360 nan 0.000 0.458 324 F N 2.338 122.275 119.950 -0.022 0.000 2.126 324 F HA -0.244 4.281 4.527 -0.003 0.000 0.299 324 F C 2.555 178.346 175.800 -0.016 0.000 1.096 324 F CA 1.484 59.459 58.000 -0.042 0.000 1.255 324 F CB -0.403 38.541 39.000 -0.092 0.000 0.997 324 F HN -0.141 nan 8.300 nan 0.000 0.479 325 K N 0.530 120.930 120.400 0.000 0.000 2.063 325 K HA -0.154 4.164 4.320 -0.003 0.000 0.208 325 K C 2.227 178.786 176.600 -0.068 0.000 1.048 325 K CA 1.729 57.970 56.287 -0.077 0.000 0.928 325 K CB -0.916 31.582 32.500 -0.003 0.000 0.713 325 K HN 0.524 nan 8.250 nan 0.000 0.442 326 I N 0.198 120.760 120.570 -0.013 0.000 2.252 326 I HA -0.210 3.958 4.170 -0.003 0.000 0.245 326 I C 2.505 178.624 176.117 0.004 0.000 1.102 326 I CA 1.713 63.016 61.300 0.004 0.000 1.385 326 I CB -0.467 37.550 38.000 0.029 0.000 1.064 326 I HN 0.310 nan 8.210 nan 0.000 0.414 327 T N 0.606 115.165 114.554 0.008 0.000 2.652 327 T HA -0.190 4.158 4.350 -0.003 0.000 0.267 327 T C 2.027 176.717 174.700 -0.016 0.000 1.039 327 T CA 1.321 63.441 62.100 0.034 0.000 1.153 327 T CB -0.270 68.658 68.868 0.101 0.000 0.863 327 T HN 0.289 nan 8.240 nan 0.000 0.428 328 R N 1.008 121.420 120.500 -0.146 0.000 2.096 328 R HA -0.083 4.255 4.340 -0.003 0.000 0.235 328 R C 2.703 178.976 176.300 -0.045 0.000 1.127 328 R CA 1.277 57.304 56.100 -0.122 0.000 0.968 328 R CB -0.335 29.800 30.300 -0.275 0.000 0.861 328 R HN 0.605 nan 8.270 nan 0.000 0.440 329 Q N 0.146 119.921 119.800 -0.042 0.000 2.124 329 Q HA -0.091 4.247 4.340 -0.003 0.000 0.202 329 Q C 2.205 178.214 176.000 0.015 0.000 0.977 329 Q CA 1.487 57.284 55.803 -0.009 0.000 0.850 329 Q CB -0.168 28.566 28.738 -0.007 0.000 0.901 329 Q HN 0.340 nan 8.270 nan 0.000 0.429 330 A N 1.105 123.939 122.820 0.023 0.000 1.898 330 A HA -0.169 4.149 4.320 -0.003 0.000 0.216 330 A C 2.118 179.746 177.584 0.074 0.000 1.181 330 A CA 1.318 53.382 52.037 0.045 0.000 0.620 330 A CB -0.513 18.520 19.000 0.054 0.000 0.819 330 A HN 0.269 nan 8.150 nan 0.000 0.442 331 M N -0.395 119.243 119.600 0.063 0.000 2.108 331 M HA -0.188 4.290 4.480 -0.003 0.000 0.261 331 M C 1.555 177.973 176.300 0.196 0.000 1.066 331 M CA 1.716 57.093 55.300 0.129 0.000 1.107 331 M CB -0.606 31.966 32.600 -0.048 0.000 1.356 331 M HN 0.346 nan 8.290 nan 0.000 0.406 332 D N 0.685 121.142 120.400 0.095 0.000 2.084 332 D HA -0.116 4.522 4.640 -0.003 0.000 0.194 332 D C 1.907 178.235 176.300 0.048 0.000 0.990 332 D CA 1.434 55.474 54.000 0.067 0.000 0.826 332 D CB -0.347 40.474 40.800 0.035 0.000 0.971 332 D HN 0.365 nan 8.370 nan 0.000 0.453 333 I N 0.534 121.127 120.570 0.038 0.000 2.226 333 I HA -0.226 3.942 4.170 -0.003 0.000 0.245 333 I C 2.483 178.600 176.117 -0.000 0.000 1.100 333 I CA 0.612 61.920 61.300 0.014 0.000 1.374 333 I CB -0.133 37.873 38.000 0.011 0.000 1.057 333 I HN -0.126 nan 8.210 nan 0.000 0.413 334 V N 0.418 120.349 119.914 0.028 0.000 2.407 334 V HA -0.110 4.008 4.120 -0.003 0.000 0.248 334 V C 1.671 177.691 176.094 -0.122 0.000 1.055 334 V CA 1.822 64.107 62.300 -0.025 0.000 1.049 334 V CB -0.791 31.067 31.823 0.058 0.000 0.662 334 V HN 0.769 nan 8.190 nan 0.000 0.455 335 G N -1.373 107.389 108.800 -0.064 0.000 2.151 335 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.140 335 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.140 335 G C -0.128 174.673 174.900 -0.165 0.000 1.020 335 G CA -0.550 44.477 45.100 -0.122 0.000 0.688 335 G HN 0.299 nan 8.290 nan 0.000 0.500 336 F N 3.037 122.934 119.950 -0.088 0.000 2.578 336 F HA 0.418 4.943 4.527 -0.003 0.000 0.381 336 F C 1.642 177.424 175.800 -0.031 0.000 1.069 336 F CA 0.636 58.593 58.000 -0.070 0.000 1.231 336 F CB 0.760 39.713 39.000 -0.079 0.000 1.086 336 F HN 0.291 nan 8.300 nan 0.000 0.564 337 S N 2.290 118.074 115.700 0.140 0.000 2.589 337 S HA 0.017 4.485 4.470 -0.003 0.000 0.265 337 S C 1.036 175.699 174.600 0.106 0.000 1.342 337 S CA -0.721 57.535 58.200 0.093 0.000 1.005 337 S CB 1.084 64.325 63.200 0.069 0.000 0.909 337 S HN 0.693 nan 8.310 nan 0.000 0.555 338 Q N 1.067 120.913 119.800 0.076 0.000 2.124 338 Q HA -0.006 4.332 4.340 -0.003 0.000 0.202 338 Q C 2.670 178.715 176.000 0.074 0.000 0.977 338 Q CA 2.449 58.297 55.803 0.075 0.000 0.850 338 Q CB -1.075 27.700 28.738 0.061 0.000 0.901 338 Q HN 0.995 nan 8.270 nan 0.000 0.429 339 E N 0.530 120.771 120.200 0.068 0.000 2.072 339 E HA -0.204 4.144 4.350 -0.003 0.000 0.191 339 E C 1.740 178.376 176.600 0.061 0.000 0.985 339 E CA 1.403 57.839 56.400 0.061 0.000 0.801 339 E CB -0.649 29.083 29.700 0.053 0.000 0.750 339 E HN 0.661 nan 8.360 nan 0.000 0.452 340 E N -0.041 120.218 120.200 0.098 0.000 2.077 340 E HA -0.214 4.134 4.350 -0.003 0.000 0.193 340 E C 2.513 179.132 176.600 0.033 0.000 0.989 340 E CA 1.334 57.823 56.400 0.147 0.000 0.800 340 E CB -0.099 29.806 29.700 0.342 0.000 0.746 340 E HN 0.629 nan 8.360 nan 0.000 0.452 341 Q N -0.211 119.581 119.800 -0.012 0.000 2.084 341 Q HA -0.139 4.199 4.340 -0.003 0.000 0.202 341 Q C 2.245 178.080 176.000 -0.276 0.000 0.978 341 Q CA 0.962 56.622 55.803 -0.239 0.000 0.844 341 Q CB -0.069 28.625 28.738 -0.073 0.000 0.898 341 Q HN 0.273 nan 8.270 nan 0.000 0.426 342 M N 0.177 119.779 119.600 0.003 0.000 2.117 342 M HA -0.138 4.340 4.480 -0.003 0.000 0.262 342 M C 2.094 178.424 176.300 0.049 0.000 1.065 342 M CA 1.429 56.796 55.300 0.112 0.000 1.114 342 M CB -0.384 32.289 32.600 0.121 0.000 1.361 342 M HN 0.114 nan 8.290 nan 0.000 0.408 343 S N 0.806 116.498 115.700 -0.014 0.000 2.368 343 S HA -0.086 4.382 4.470 -0.003 0.000 0.225 343 S C 1.865 176.419 174.600 -0.077 0.000 1.030 343 S CA 1.054 59.235 58.200 -0.030 0.000 0.999 343 S CB -0.313 62.848 63.200 -0.064 0.000 0.844 343 S HN 0.432 nan 8.310 nan 0.000 0.459 344 I N 0.733 121.181 120.570 -0.203 0.000 2.118 344 I HA -0.258 3.910 4.170 -0.003 0.000 0.241 344 I C 1.879 177.932 176.117 -0.107 0.000 1.070 344 I CA 1.687 62.832 61.300 -0.257 0.000 1.327 344 I CB -0.494 37.209 38.000 -0.496 0.000 1.034 344 I HN 0.268 nan 8.210 nan 0.000 0.405 345 F N 0.677 120.694 119.950 0.113 0.000 2.234 345 F HA -0.144 4.381 4.527 -0.003 0.000 0.299 345 F C 2.502 178.337 175.800 0.057 0.000 1.087 345 F CA 0.750 58.815 58.000 0.109 0.000 1.340 345 F CB -0.369 38.723 39.000 0.153 0.000 1.031 345 F HN -0.098 nan 8.300 nan 0.000 0.500 346 K N 0.774 121.281 120.400 0.179 0.000 2.057 346 K HA -0.162 4.156 4.320 -0.003 0.000 0.207 346 K C 1.894 178.502 176.600 0.013 0.000 1.049 346 K CA 1.466 57.799 56.287 0.077 0.000 0.931 346 K CB -0.314 32.222 32.500 0.060 0.000 0.714 346 K HN 0.264 nan 8.250 nan 0.000 0.440 347 I N 1.005 121.650 120.570 0.125 0.000 2.179 347 I HA -0.294 3.874 4.170 -0.003 0.000 0.242 347 I C 2.080 178.358 176.117 0.269 0.000 1.088 347 I CA 0.884 62.360 61.300 0.293 0.000 1.357 347 I CB -0.257 37.912 38.000 0.282 0.000 1.051 347 I HN 0.122 nan 8.210 nan 0.000 0.409 348 I N 1.084 121.783 120.570 0.216 0.000 2.163 348 I HA -0.297 3.871 4.170 -0.003 0.000 0.243 348 I C 2.846 179.048 176.117 0.141 0.000 1.085 348 I CA 1.881 63.297 61.300 0.194 0.000 1.347 348 I CB -1.610 36.433 38.000 0.071 0.000 1.044 348 I HN 0.206 nan 8.210 nan 0.000 0.408 349 A N 0.930 123.761 122.820 0.018 0.000 1.902 349 A HA -0.088 4.230 4.320 -0.003 0.000 0.217 349 A C 2.519 179.982 177.584 -0.201 0.000 1.181 349 A CA 1.838 53.790 52.037 -0.142 0.000 0.623 349 A CB -1.347 17.636 19.000 -0.029 0.000 0.818 349 A HN 0.436 nan 8.150 nan 0.000 0.443 350 G N -0.114 108.544 108.800 -0.237 0.000 2.422 350 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.218 350 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.218 350 G C 1.528 176.478 174.900 0.083 0.000 1.146 350 G CA 1.097 45.883 45.100 -0.522 0.000 0.769 350 G HN 0.471 nan 8.290 nan 0.000 0.547 351 I N 0.324 121.083 120.570 0.315 0.000 2.179 351 I HA -0.143 4.025 4.170 -0.003 0.000 0.242 351 I C 2.737 179.011 176.117 0.262 0.000 1.088 351 I CA 0.728 62.304 61.300 0.460 0.000 1.357 351 I CB -0.170 38.170 38.000 0.566 0.000 1.051 351 I HN 0.136 nan 8.210 nan 0.000 0.409 352 L N -0.315 120.916 121.223 0.014 0.000 2.042 352 L HA -0.278 4.060 4.340 -0.003 0.000 0.210 352 L C 2.747 179.492 176.870 -0.209 0.000 1.076 352 L CA 1.315 55.964 54.840 -0.318 0.000 0.749 352 L CB -1.109 40.357 42.059 -0.988 0.000 0.893 352 L HN 0.381 nan 8.230 nan 0.000 0.432 353 H N 0.072 119.143 119.070 0.002 0.000 2.321 353 H HA -0.126 4.428 4.556 -0.003 0.000 0.300 353 H C 2.430 177.782 175.328 0.040 0.000 1.087 353 H CA 1.388 57.479 56.048 0.072 0.000 1.319 353 H CB -0.412 29.364 29.762 0.024 0.000 1.379 353 H HN 0.304 nan 8.280 nan 0.000 0.501 354 L N -0.086 121.273 121.223 0.226 0.000 2.081 354 L HA -0.142 4.196 4.340 -0.003 0.000 0.212 354 L C 2.759 179.622 176.870 -0.011 0.000 1.080 354 L CA 1.261 56.219 54.840 0.197 0.000 0.754 354 L CB -0.789 41.482 42.059 0.353 0.000 0.893 354 L HN 0.314 nan 8.230 nan 0.000 0.433 355 G N -0.651 107.961 108.800 -0.314 0.000 2.470 355 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.220 355 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.220 355 G C 1.282 175.888 174.900 -0.489 0.000 1.121 355 G CA 0.506 44.976 45.100 -1.050 0.000 0.766 355 G HN 0.325 nan 8.290 nan 0.000 0.553 356 N N 0.092 118.666 118.700 -0.211 0.000 2.412 356 N HA 0.126 4.864 4.740 -0.003 0.000 0.184 356 N C 0.674 176.112 175.510 -0.120 0.000 1.101 356 N CA -0.149 52.837 53.050 -0.105 0.000 0.881 356 N CB 0.113 38.608 38.487 0.014 0.000 0.969 356 N HN 0.293 nan 8.380 nan 0.000 0.459 357 I N 1.085 121.563 120.570 -0.154 0.000 2.683 357 I HA -0.056 4.112 4.170 -0.003 0.000 0.286 357 I C 0.813 176.708 176.117 -0.370 0.000 1.175 357 I CA 0.332 61.457 61.300 -0.293 0.000 1.429 357 I CB 0.426 38.196 38.000 -0.383 0.000 1.371 357 I HN -0.156 nan 8.210 nan 0.000 0.569 358 K N 7.592 127.772 120.400 -0.366 0.000 2.449 358 K HA 0.384 4.702 4.320 -0.003 0.000 0.257 358 K C -1.148 175.298 176.600 -0.258 0.000 0.989 358 K CA -0.589 55.559 56.287 -0.231 0.000 0.916 358 K CB 0.640 33.077 32.500 -0.106 0.000 1.136 358 K HN 0.229 nan 8.250 nan 0.000 0.439 359 F N 2.299 122.267 119.950 0.030 0.000 2.443 359 F HA 0.240 4.765 4.527 -0.003 0.000 0.353 359 F C 0.666 176.482 175.800 0.028 0.000 1.101 359 F CA -0.047 57.974 58.000 0.036 0.000 1.226 359 F CB 1.007 40.035 39.000 0.046 0.000 1.140 359 F HN 0.485 nan 8.300 nan 0.000 0.557 360 E N 1.000 121.319 120.200 0.198 0.000 2.312 360 E HA 0.274 4.622 4.350 -0.003 0.000 0.267 360 E C -0.958 175.702 176.600 0.100 0.000 0.894 360 E CA -1.221 55.248 56.400 0.116 0.000 0.773 360 E CB 1.748 31.488 29.700 0.066 0.000 1.241 360 E HN 0.393 nan 8.360 nan 0.000 0.432 361 K N 0.813 121.248 120.400 0.058 0.000 2.448 361 K HA 0.173 4.491 4.320 -0.003 0.000 0.278 361 K C 0.163 176.778 176.600 0.024 0.000 1.009 361 K CA 0.147 56.449 56.287 0.025 0.000 0.995 361 K CB 0.393 32.899 32.500 0.009 0.000 0.917 361 K HN 0.621 nan 8.250 nan 0.000 0.481 362 G N 1.842 110.644 108.800 0.003 0.000 2.510 362 G HA2 0.324 4.282 3.960 -0.003 0.000 0.280 362 G HA3 0.324 4.282 3.960 -0.003 0.000 0.280 362 G C 0.784 175.684 174.900 0.000 0.000 1.386 362 G CA 0.106 45.215 45.100 0.016 0.000 1.047 362 G HN 0.756 nan 8.290 nan 0.000 0.527 363 A N -1.008 121.818 122.820 0.010 0.000 1.917 363 A HA 0.188 4.506 4.320 -0.003 0.000 0.219 363 A C 1.708 179.284 177.584 -0.012 0.000 1.182 363 A CA 2.271 54.311 52.037 0.004 0.000 0.633 363 A CB -0.984 18.024 19.000 0.014 0.000 0.819 363 A HN 1.110 nan 8.150 nan 0.000 0.448 364 G N -3.224 105.557 108.800 -0.032 0.000 2.782 364 G HA2 0.444 4.402 3.960 -0.003 0.000 0.201 364 G HA3 0.444 4.402 3.960 -0.003 0.000 0.201 364 G C 0.859 175.705 174.900 -0.091 0.000 1.374 364 G CA 0.787 45.855 45.100 -0.054 0.000 1.039 364 G HN 0.423 nan 8.290 nan 0.000 0.576 365 E N -0.839 119.294 120.200 -0.110 0.000 2.152 365 E HA 0.203 4.551 4.350 -0.003 0.000 0.192 365 E C 1.555 178.028 176.600 -0.212 0.000 0.983 365 E CA 0.742 57.069 56.400 -0.121 0.000 0.818 365 E CB -0.836 28.811 29.700 -0.088 0.000 0.758 365 E HN 0.905 nan 8.360 nan 0.000 0.467 366 G N -0.175 108.367 108.800 -0.430 0.000 2.491 366 G HA2 0.472 4.430 3.960 -0.003 0.000 0.242 366 G HA3 0.472 4.430 3.960 -0.003 0.000 0.242 366 G C 0.372 174.988 174.900 -0.474 0.000 1.266 366 G CA 0.148 44.706 45.100 -0.904 0.000 0.844 366 G HN 0.828 nan 8.290 nan 0.000 0.571 367 A N 0.358 123.077 122.820 -0.168 0.000 2.332 367 A HA 0.673 4.991 4.320 -0.003 0.000 0.258 367 A C 0.463 178.206 177.584 0.264 0.000 1.087 367 A CA 0.128 52.214 52.037 0.081 0.000 0.802 367 A CB 0.766 19.825 19.000 0.099 0.000 1.042 367 A HN 1.936 nan 8.150 nan 0.000 0.489 368 V N -0.830 119.218 119.914 0.224 0.000 3.102 368 V HA 0.802 4.920 4.120 -0.003 0.000 0.312 368 V C -0.917 175.298 176.094 0.201 0.000 1.135 368 V CA -0.977 61.451 62.300 0.213 0.000 1.022 368 V CB 1.715 33.621 31.823 0.139 0.000 1.056 368 V HN 0.861 nan 8.190 nan 0.000 0.436 369 L N 2.304 123.610 121.223 0.139 0.000 2.324 369 L HA 0.573 4.911 4.340 -0.003 0.000 0.274 369 L C 0.875 177.756 176.870 0.019 0.000 1.012 369 L CA 0.215 55.084 54.840 0.049 0.000 0.859 369 L CB 1.015 43.085 42.059 0.019 0.000 1.224 369 L HN 0.830 nan 8.230 nan 0.000 0.429 370 K N 1.220 121.624 120.400 0.007 0.000 2.137 370 K HA 0.066 4.384 4.320 -0.003 0.000 0.202 370 K C 0.060 176.649 176.600 -0.017 0.000 1.052 370 K CA 0.536 56.824 56.287 0.002 0.000 0.961 370 K CB 0.240 32.743 32.500 0.006 0.000 0.741 370 K HN 0.475 nan 8.250 nan 0.000 0.452 371 D N 1.084 121.462 120.400 -0.037 0.000 2.303 371 D HA 0.125 4.763 4.640 -0.003 0.000 0.236 371 D C -0.444 175.816 176.300 -0.065 0.000 1.068 371 D CA -0.186 53.786 54.000 -0.047 0.000 0.830 371 D CB 1.255 42.025 40.800 -0.051 0.000 1.109 371 D HN -0.138 nan 8.370 nan 0.000 0.496 372 K N 2.112 122.479 120.400 -0.055 0.000 2.440 372 K HA 0.118 4.436 4.320 -0.003 0.000 0.206 372 K C 1.307 177.865 176.600 -0.070 0.000 1.025 372 K CA -0.109 56.141 56.287 -0.061 0.000 1.135 372 K CB 0.669 33.144 32.500 -0.042 0.000 0.856 372 K HN 0.337 nan 8.250 nan 0.000 0.502 373 T N 1.097 115.609 114.554 -0.070 0.000 2.652 373 T HA -0.210 4.138 4.350 -0.003 0.000 0.267 373 T C 2.048 176.684 174.700 -0.108 0.000 1.039 373 T CA 1.755 63.808 62.100 -0.079 0.000 1.153 373 T CB -0.110 68.723 68.868 -0.058 0.000 0.863 373 T HN 0.360 nan 8.240 nan 0.000 0.428 374 A N 1.105 123.878 122.820 -0.077 0.000 1.898 374 A HA 0.018 4.336 4.320 -0.003 0.000 0.216 374 A C 2.284 179.835 177.584 -0.055 0.000 1.181 374 A CA 1.374 53.384 52.037 -0.044 0.000 0.620 374 A CB -0.885 18.114 19.000 -0.000 0.000 0.819 374 A HN 0.419 nan 8.150 nan 0.000 0.442 375 L N 0.503 121.692 121.223 -0.056 0.000 2.013 375 L HA -0.242 4.096 4.340 -0.003 0.000 0.212 375 L C 1.936 178.778 176.870 -0.047 0.000 1.073 375 L CA 2.499 57.326 54.840 -0.022 0.000 0.753 375 L CB -0.625 41.417 42.059 -0.029 0.000 0.890 375 L HN 0.354 nan 8.230 nan 0.000 0.432 376 N N 0.123 118.766 118.700 -0.096 0.000 2.120 376 N HA -0.137 4.601 4.740 -0.003 0.000 0.188 376 N C 1.821 177.192 175.510 -0.233 0.000 1.024 376 N CA 1.598 54.570 53.050 -0.130 0.000 0.852 376 N CB -0.597 37.819 38.487 -0.119 0.000 1.003 376 N HN 0.568 nan 8.380 nan 0.000 0.424 377 A N 1.090 123.688 122.820 -0.369 0.000 1.873 377 A HA 0.063 4.381 4.320 -0.003 0.000 0.215 377 A C 2.394 179.672 177.584 -0.510 0.000 1.186 377 A CA 1.895 53.513 52.037 -0.698 0.000 0.616 377 A CB -0.956 17.386 19.000 -1.096 0.000 0.823 377 A HN 0.298 nan 8.150 nan 0.000 0.442 378 A N -0.337 122.336 122.820 -0.244 0.000 1.892 378 A HA -0.156 4.162 4.320 -0.003 0.000 0.218 378 A C 2.461 180.074 177.584 0.049 0.000 1.188 378 A CA 2.381 54.411 52.037 -0.011 0.000 0.631 378 A CB -1.022 18.140 19.000 0.271 0.000 0.822 378 A HN 0.472 nan 8.150 nan 0.000 0.447 379 S N -0.774 114.953 115.700 0.044 0.000 2.383 379 S HA -0.116 4.352 4.470 -0.003 0.000 0.227 379 S C 2.045 176.640 174.600 -0.009 0.000 1.026 379 S CA 1.667 59.896 58.200 0.049 0.000 0.981 379 S CB -0.532 62.658 63.200 -0.016 0.000 0.818 379 S HN 0.711 nan 8.310 nan 0.000 0.472 380 T N 2.384 116.888 114.554 -0.082 0.000 2.708 380 T HA -0.106 4.242 4.350 -0.003 0.000 0.266 380 T C 2.167 176.839 174.700 -0.047 0.000 1.037 380 T CA 1.669 63.723 62.100 -0.076 0.000 1.146 380 T CB -0.554 68.238 68.868 -0.128 0.000 0.865 380 T HN 0.449 nan 8.240 nan 0.000 0.435 381 V N -0.949 118.906 119.914 -0.099 0.000 2.453 381 V HA -0.006 4.112 4.120 -0.003 0.000 0.247 381 V C 2.057 178.117 176.094 -0.056 0.000 1.048 381 V CA 1.432 63.678 62.300 -0.090 0.000 1.049 381 V CB -1.206 30.544 31.823 -0.121 0.000 0.672 381 V HN 0.281 nan 8.190 nan 0.000 0.457 382 F N 2.419 122.398 119.950 0.049 0.000 2.456 382 F HA 0.464 4.989 4.527 -0.003 0.000 0.298 382 F C 2.103 177.870 175.800 -0.056 0.000 1.104 382 F CA 0.538 58.562 58.000 0.039 0.000 1.435 382 F CB -0.893 38.142 39.000 0.058 0.000 1.078 382 F HN 0.439 nan 8.300 nan 0.000 0.546 383 G N 1.092 109.946 108.800 0.090 0.000 2.256 383 G HA2 -0.095 3.863 3.960 -0.003 0.000 0.272 383 G HA3 -0.095 3.863 3.960 -0.003 0.000 0.272 383 G C -0.105 174.742 174.900 -0.088 0.000 1.076 383 G CA 0.165 45.264 45.100 -0.002 0.000 0.882 383 G HN 0.596 nan 8.290 nan 0.000 0.497 384 V N -3.110 116.719 119.914 -0.141 0.000 3.113 384 V HA 0.829 4.947 4.120 -0.003 0.000 0.316 384 V C 0.339 176.329 176.094 -0.174 0.000 1.125 384 V CA -1.580 60.557 62.300 -0.272 0.000 1.026 384 V CB 2.120 33.563 31.823 -0.632 0.000 1.080 384 V HN 0.326 nan 8.190 nan 0.000 0.444 385 N N 3.085 121.682 118.700 -0.170 0.000 2.411 385 N HA 0.342 5.080 4.740 -0.003 0.000 0.259 385 N C -1.522 173.933 175.510 -0.090 0.000 1.103 385 N CA -1.846 51.140 53.050 -0.107 0.000 0.954 385 N CB 1.718 40.151 38.487 -0.091 0.000 1.085 385 N HN 0.582 nan 8.380 nan 0.000 0.485 386 P HA -0.072 nan 4.420 nan 0.000 0.218 386 P C 1.005 178.292 177.300 -0.021 0.000 1.149 386 P CA 0.953 64.032 63.100 -0.035 0.000 0.817 386 P CB 0.420 32.099 31.700 -0.034 0.000 0.785 387 S N -0.186 115.498 115.700 -0.027 0.000 2.368 387 S HA -0.065 4.403 4.470 -0.003 0.000 0.224 387 S C 2.104 176.694 174.600 -0.017 0.000 1.029 387 S CA 1.059 59.248 58.200 -0.018 0.000 0.988 387 S CB -1.030 62.157 63.200 -0.021 0.000 0.838 387 S HN -0.017 nan 8.310 nan 0.000 0.462 388 V N 1.859 121.753 119.914 -0.033 0.000 2.427 388 V HA -0.105 4.013 4.120 -0.003 0.000 0.248 388 V C 2.221 178.304 176.094 -0.018 0.000 1.051 388 V CA 1.326 63.605 62.300 -0.035 0.000 1.048 388 V CB -0.618 31.168 31.823 -0.062 0.000 0.666 388 V HN 0.360 nan 8.190 nan 0.000 0.456 389 L N 0.458 121.668 121.223 -0.020 0.000 2.027 389 L HA -0.148 4.190 4.340 -0.003 0.000 0.206 389 L C 2.400 179.318 176.870 0.080 0.000 1.074 389 L CA 2.268 57.127 54.840 0.031 0.000 0.745 389 L CB -0.813 41.265 42.059 0.032 0.000 0.898 389 L HN 0.434 nan 8.230 nan 0.000 0.433 390 E N -0.679 119.561 120.200 0.067 0.000 2.038 390 E HA -0.256 4.092 4.350 -0.003 0.000 0.195 390 E C 2.046 178.693 176.600 0.079 0.000 1.000 390 E CA 1.302 57.759 56.400 0.095 0.000 0.803 390 E CB 0.034 29.769 29.700 0.059 0.000 0.750 390 E HN 0.344 nan 8.360 nan 0.000 0.448 391 K N 0.039 120.458 120.400 0.031 0.000 2.063 391 K HA -0.131 4.187 4.320 -0.003 0.000 0.208 391 K C 2.052 178.658 176.600 0.010 0.000 1.048 391 K CA 1.104 57.392 56.287 0.001 0.000 0.928 391 K CB -0.425 32.066 32.500 -0.015 0.000 0.713 391 K HN 0.201 nan 8.250 nan 0.000 0.442 392 A N 1.158 123.996 122.820 0.030 0.000 1.972 392 A HA -0.096 4.222 4.320 -0.003 0.000 0.219 392 A C 2.298 179.912 177.584 0.051 0.000 1.169 392 A CA 1.088 53.149 52.037 0.040 0.000 0.635 392 A CB -0.452 18.581 19.000 0.054 0.000 0.810 392 A HN 0.164 nan 8.150 nan 0.000 0.446 393 L N -1.815 119.457 121.223 0.082 0.000 2.044 393 L HA -0.057 4.281 4.340 -0.003 0.000 0.205 393 L C 2.715 179.575 176.870 -0.018 0.000 1.075 393 L CA 1.435 56.321 54.840 0.077 0.000 0.747 393 L CB -0.288 41.911 42.059 0.234 0.000 0.903 393 L HN 0.370 nan 8.230 nan 0.000 0.435 394 M N -1.679 117.931 119.600 0.017 0.000 2.534 394 M HA 0.047 4.525 4.480 -0.003 0.000 0.263 394 M C 0.165 176.455 176.300 -0.016 0.000 1.152 394 M CA 0.789 56.087 55.300 -0.003 0.000 1.145 394 M CB 0.610 33.260 32.600 0.083 0.000 1.333 394 M HN 0.038 nan 8.290 nan 0.000 0.477 395 E N 1.331 121.498 120.200 -0.055 0.000 3.896 395 E HA 0.229 4.577 4.350 -0.003 0.000 0.217 395 E C -2.440 174.140 176.600 -0.033 0.000 1.150 395 E CA -1.546 54.804 56.400 -0.083 0.000 1.338 395 E CB 0.774 30.368 29.700 -0.177 0.000 1.242 395 E HN 0.139 nan 8.360 nan 0.000 0.435 396 P HA 0.088 nan 4.420 nan 0.000 0.275 396 P C -0.369 176.935 177.300 0.006 0.000 1.228 396 P CA -0.192 62.910 63.100 0.004 0.000 0.786 396 P CB 1.012 32.719 31.700 0.012 0.000 0.927 397 R N 2.361 122.866 120.500 0.009 0.000 2.349 397 R HA 0.633 4.971 4.340 -0.003 0.000 0.299 397 R C 0.485 176.796 176.300 0.019 0.000 1.027 397 R CA -0.633 55.474 56.100 0.011 0.000 0.958 397 R CB 0.610 30.916 30.300 0.009 0.000 1.047 397 R HN 0.562 nan 8.270 nan 0.000 0.468 398 I N -1.355 119.226 120.570 0.018 0.000 3.145 398 I HA 0.487 4.655 4.170 -0.003 0.000 0.313 398 I C -0.997 175.130 176.117 0.017 0.000 1.122 398 I CA -1.382 59.931 61.300 0.022 0.000 0.987 398 I CB 1.656 39.669 38.000 0.022 0.000 1.236 398 I HN 0.333 nan 8.210 nan 0.000 0.453 399 L N 2.613 123.847 121.223 0.018 0.000 2.312 399 L HA 0.682 5.020 4.340 -0.003 0.000 0.281 399 L C 0.102 176.976 176.870 0.007 0.000 1.070 399 L CA -0.664 54.182 54.840 0.011 0.000 0.805 399 L CB 1.543 43.607 42.059 0.009 0.000 1.174 399 L HN 0.830 nan 8.230 nan 0.000 0.434 400 A N 2.628 125.450 122.820 0.004 0.000 2.328 400 A HA 0.663 4.981 4.320 -0.003 0.000 0.318 400 A C 0.581 178.165 177.584 -0.001 0.000 1.347 400 A CA 0.220 52.257 52.037 0.000 0.000 0.842 400 A CB 0.638 19.638 19.000 0.000 0.000 1.148 400 A HN 1.005 nan 8.150 nan 0.000 0.499 401 G N 2.579 111.377 108.800 -0.003 0.000 2.595 401 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.297 401 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.297 401 G C 0.866 175.765 174.900 -0.002 0.000 1.181 401 G CA 0.740 45.837 45.100 -0.004 0.000 0.963 401 G HN 0.806 nan 8.290 nan 0.000 0.541 402 R N 0.863 121.362 120.500 -0.001 0.000 2.437 402 R HA 0.247 4.585 4.340 -0.003 0.000 0.257 402 R C 0.132 176.434 176.300 0.002 0.000 0.927 402 R CA 0.079 56.180 56.100 0.001 0.000 1.078 402 R CB 0.351 30.651 30.300 -0.000 0.000 1.161 402 R HN 0.475 nan 8.270 nan 0.000 0.529 403 D N 0.878 121.279 120.400 0.002 0.000 2.362 403 D HA 0.056 4.694 4.640 -0.003 0.000 0.242 403 D C -0.961 175.342 176.300 0.005 0.000 1.132 403 D CA -0.150 53.852 54.000 0.003 0.000 0.907 403 D CB 1.009 41.810 40.800 0.003 0.000 1.195 403 D HN -0.165 nan 8.370 nan 0.000 0.429 404 L N 3.855 125.082 121.223 0.006 0.000 2.276 404 L HA 0.409 4.747 4.340 -0.003 0.000 0.286 404 L C -1.343 175.530 176.870 0.006 0.000 1.024 404 L CA -0.517 54.327 54.840 0.007 0.000 0.826 404 L CB 1.274 43.337 42.059 0.007 0.000 1.211 404 L HN 0.148 nan 8.230 nan 0.000 0.422 405 V N 5.007 124.925 119.914 0.007 0.000 2.444 405 V HA 0.692 4.810 4.120 -0.003 0.000 0.294 405 V C 0.396 176.495 176.094 0.008 0.000 1.022 405 V CA -0.716 61.589 62.300 0.007 0.000 0.850 405 V CB 1.411 33.239 31.823 0.008 0.000 0.992 405 V HN 0.901 nan 8.190 nan 0.000 0.426 406 A N 4.995 127.817 122.820 0.004 0.000 2.454 406 A HA 0.525 4.843 4.320 -0.003 0.000 0.260 406 A C 0.294 177.885 177.584 0.010 0.000 1.106 406 A CA -0.309 51.728 52.037 -0.001 0.000 0.780 406 A CB 0.184 19.175 19.000 -0.016 0.000 1.044 406 A HN 0.751 nan 8.150 nan 0.000 0.498 407 Q N 0.718 120.526 119.800 0.014 0.000 2.318 407 Q HA 0.229 4.567 4.340 -0.003 0.000 0.222 407 Q C -0.540 175.504 176.000 0.072 0.000 1.003 407 Q CA 0.193 56.019 55.803 0.038 0.000 0.936 407 Q CB 0.798 29.554 28.738 0.029 0.000 1.204 407 Q HN 0.863 nan 8.270 nan 0.000 0.524 408 H N 0.327 119.391 119.070 -0.011 0.000 2.991 408 H HA 0.388 4.942 4.556 -0.003 0.000 0.304 408 H C -0.724 174.589 175.328 -0.026 0.000 1.040 408 H CA -0.387 55.653 56.048 -0.013 0.000 1.410 408 H CB 0.296 30.056 29.762 -0.004 0.000 1.529 408 H HN 0.364 nan 8.280 nan 0.000 0.509 409 L N 3.940 125.278 121.223 0.192 0.000 2.397 409 L HA 0.094 4.433 4.340 -0.003 0.000 0.271 409 L C 0.765 177.625 176.870 -0.016 0.000 1.148 409 L CA -0.663 54.198 54.840 0.035 0.000 0.825 409 L CB 0.382 42.422 42.059 -0.033 0.000 1.117 409 L HN 0.733 nan 8.230 nan 0.000 0.456 410 N N 2.022 120.683 118.700 -0.065 0.000 2.285 410 N HA 0.033 4.771 4.740 -0.003 0.000 0.262 410 N C 0.768 176.232 175.510 -0.077 0.000 1.299 410 N CA -0.620 52.383 53.050 -0.078 0.000 0.930 410 N CB 0.210 38.660 38.487 -0.061 0.000 1.157 410 N HN 0.271 nan 8.380 nan 0.000 0.532 411 V N -0.332 119.561 119.914 -0.034 0.000 2.287 411 V HA -0.238 3.880 4.120 -0.003 0.000 0.248 411 V C 2.502 178.576 176.094 -0.034 0.000 1.053 411 V CA 2.400 64.701 62.300 0.003 0.000 1.027 411 V CB -1.115 30.749 31.823 0.069 0.000 0.646 411 V HN 0.862 nan 8.190 nan 0.000 0.447 412 E N 0.180 120.369 120.200 -0.018 0.000 2.077 412 E HA -0.244 4.104 4.350 -0.003 0.000 0.193 412 E C 2.246 178.821 176.600 -0.043 0.000 0.989 412 E CA 1.389 57.784 56.400 -0.009 0.000 0.800 412 E CB -0.072 29.628 29.700 -0.000 0.000 0.746 412 E HN 0.570 nan 8.360 nan 0.000 0.452 413 K N 0.078 120.437 120.400 -0.069 0.000 2.097 413 K HA -0.032 4.286 4.320 -0.003 0.000 0.205 413 K C 2.384 178.890 176.600 -0.157 0.000 1.050 413 K CA 1.203 57.442 56.287 -0.081 0.000 0.938 413 K CB 0.020 32.484 32.500 -0.060 0.000 0.718 413 K HN 0.016 nan 8.250 nan 0.000 0.442 414 S N 0.798 116.321 115.700 -0.295 0.000 2.368 414 S HA -0.152 4.316 4.470 -0.003 0.000 0.225 414 S C 2.078 176.299 174.600 -0.633 0.000 1.030 414 S CA 1.435 59.246 58.200 -0.647 0.000 0.999 414 S CB -0.229 62.245 63.200 -1.210 0.000 0.844 414 S HN 0.312 nan 8.310 nan 0.000 0.459 415 S N 1.193 116.693 115.700 -0.333 0.000 2.382 415 S HA -0.085 4.383 4.470 -0.003 0.000 0.228 415 S C 2.008 176.659 174.600 0.084 0.000 1.027 415 S CA 1.554 59.797 58.200 0.071 0.000 0.991 415 S CB -0.385 62.919 63.200 0.174 0.000 0.823 415 S HN 0.467 nan 8.310 nan 0.000 0.469 416 S N 0.449 116.159 115.700 0.015 0.000 2.406 416 S HA -0.024 4.444 4.470 -0.003 0.000 0.228 416 S C 2.075 176.694 174.600 0.032 0.000 1.020 416 S CA 1.095 59.315 58.200 0.034 0.000 0.965 416 S CB -0.492 62.714 63.200 0.010 0.000 0.798 416 S HN 0.614 nan 8.310 nan 0.000 0.488 417 S N 1.621 117.318 115.700 -0.006 0.000 2.355 417 S HA -0.096 4.372 4.470 -0.003 0.000 0.222 417 S C 2.158 176.797 174.600 0.065 0.000 1.031 417 S CA 0.823 59.028 58.200 0.009 0.000 0.993 417 S CB -0.301 62.881 63.200 -0.030 0.000 0.859 417 S HN 0.373 nan 8.310 nan 0.000 0.453 418 R N 1.194 121.762 120.500 0.113 0.000 2.103 418 R HA -0.136 4.202 4.340 -0.003 0.000 0.242 418 R C 1.359 177.789 176.300 0.216 0.000 1.142 418 R CA 2.261 58.499 56.100 0.229 0.000 0.960 418 R CB -1.211 29.341 30.300 0.420 0.000 0.858 418 R HN 0.393 nan 8.270 nan 0.000 0.439 419 D N 0.256 120.775 120.400 0.198 0.000 2.144 419 D HA -0.076 4.562 4.640 -0.003 0.000 0.200 419 D C 1.771 178.132 176.300 0.102 0.000 0.978 419 D CA 1.528 55.635 54.000 0.177 0.000 0.833 419 D CB -0.282 40.602 40.800 0.141 0.000 0.961 419 D HN 0.370 nan 8.370 nan 0.000 0.470 420 A N 0.744 123.608 122.820 0.074 0.000 1.902 420 A HA -0.149 4.169 4.320 -0.003 0.000 0.217 420 A C 2.136 179.739 177.584 0.032 0.000 1.181 420 A CA 1.061 53.123 52.037 0.041 0.000 0.623 420 A CB -0.705 18.310 19.000 0.026 0.000 0.818 420 A HN 0.258 nan 8.150 nan 0.000 0.443 421 L N -0.063 121.184 121.223 0.039 0.000 2.017 421 L HA -0.111 4.228 4.340 -0.003 0.000 0.208 421 L C 2.381 179.253 176.870 0.004 0.000 1.073 421 L CA 2.006 56.838 54.840 -0.013 0.000 0.745 421 L CB -0.706 41.335 42.059 -0.031 0.000 0.894 421 L HN 0.142 nan 8.230 nan 0.000 0.432 422 V N -0.004 119.969 119.914 0.098 0.000 2.287 422 V HA -0.351 3.767 4.120 -0.003 0.000 0.248 422 V C 2.650 178.825 176.094 0.134 0.000 1.053 422 V CA 2.333 64.733 62.300 0.166 0.000 1.027 422 V CB -0.651 31.319 31.823 0.245 0.000 0.646 422 V HN 0.492 nan 8.190 nan 0.000 0.447 423 K N -0.141 120.308 120.400 0.081 0.000 2.097 423 K HA -0.091 4.227 4.320 -0.003 0.000 0.205 423 K C 2.292 178.943 176.600 0.085 0.000 1.050 423 K CA 1.348 57.687 56.287 0.086 0.000 0.938 423 K CB -0.395 32.135 32.500 0.049 0.000 0.718 423 K HN 0.484 nan 8.250 nan 0.000 0.442 424 A N 1.515 124.348 122.820 0.021 0.000 1.877 424 A HA -0.146 4.172 4.320 -0.003 0.000 0.216 424 A C 2.143 179.677 177.584 -0.082 0.000 1.186 424 A CA 1.258 53.263 52.037 -0.054 0.000 0.620 424 A CB -0.668 18.272 19.000 -0.100 0.000 0.822 424 A HN 0.147 nan 8.150 nan 0.000 0.443 425 L N -2.373 118.832 121.223 -0.030 0.000 2.012 425 L HA -0.226 4.112 4.340 -0.003 0.000 0.210 425 L C 2.590 179.503 176.870 0.071 0.000 1.073 425 L CA 2.005 56.843 54.840 -0.005 0.000 0.748 425 L CB -0.583 41.506 42.059 0.050 0.000 0.891 425 L HN 0.576 nan 8.230 nan 0.000 0.431 426 Y N 0.348 120.680 120.300 0.054 0.000 2.163 426 Y HA -0.152 4.396 4.550 -0.003 0.000 0.288 426 Y C 2.354 178.275 175.900 0.035 0.000 1.136 426 Y CA 1.591 59.741 58.100 0.084 0.000 1.147 426 Y CB -0.592 37.944 38.460 0.127 0.000 0.987 426 Y HN 0.088 nan 8.280 nan 0.000 0.509 427 G N -0.244 108.638 108.800 0.136 0.000 2.418 427 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.217 427 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.217 427 G C 1.748 176.648 174.900 0.000 0.000 1.158 427 G CA 0.831 45.967 45.100 0.060 0.000 0.771 427 G HN 0.327 nan 8.290 nan 0.000 0.545 428 R N -0.704 119.753 120.500 -0.071 0.000 2.075 428 R HA 0.042 4.380 4.340 -0.003 0.000 0.232 428 R C 2.457 178.709 176.300 -0.080 0.000 1.126 428 R CA 0.968 56.998 56.100 -0.117 0.000 0.963 428 R CB -0.502 29.640 30.300 -0.263 0.000 0.858 428 R HN 0.360 nan 8.270 nan 0.000 0.435 429 L N 0.386 121.539 121.223 -0.117 0.000 2.012 429 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 429 L C 1.961 178.736 176.870 -0.159 0.000 1.073 429 L CA 1.709 56.466 54.840 -0.139 0.000 0.748 429 L CB -0.675 41.251 42.059 -0.222 0.000 0.891 429 L HN 0.052 nan 8.230 nan 0.000 0.431 430 F N -0.443 119.276 119.950 -0.386 0.000 2.095 430 F HA -0.237 4.288 4.527 -0.003 0.000 0.298 430 F C 2.157 177.796 175.800 -0.269 0.000 1.104 430 F CA 1.846 59.600 58.000 -0.409 0.000 1.232 430 F CB -0.287 38.464 39.000 -0.415 0.000 0.987 430 F HN 0.062 nan 8.300 nan 0.000 0.475 431 L N -1.452 119.720 121.223 -0.084 0.000 2.042 431 L HA -0.250 4.088 4.340 -0.003 0.000 0.210 431 L C 2.324 179.104 176.870 -0.149 0.000 1.076 431 L CA 1.780 56.546 54.840 -0.123 0.000 0.749 431 L CB -0.974 41.067 42.059 -0.030 0.000 0.893 431 L HN 0.429 nan 8.230 nan 0.000 0.432 432 W N 0.890 122.039 121.300 -0.252 0.000 2.355 432 W HA -0.193 4.465 4.660 -0.003 0.000 0.309 432 W C 2.302 178.683 176.519 -0.230 0.000 1.206 432 W CA 1.409 58.628 57.345 -0.211 0.000 1.284 432 W CB -0.249 29.106 29.460 -0.175 0.000 1.145 432 W HN -0.053 nan 8.180 nan 0.000 0.502 433 L N -0.209 120.858 121.223 -0.261 0.000 2.013 433 L HA -0.306 4.032 4.340 -0.003 0.000 0.212 433 L C 2.273 178.871 176.870 -0.455 0.000 1.073 433 L CA 1.607 56.188 54.840 -0.432 0.000 0.753 433 L CB -1.488 40.189 42.059 -0.638 0.000 0.890 433 L HN -0.111 nan 8.230 nan 0.000 0.432 434 V N -0.086 119.499 119.914 -0.547 0.000 2.358 434 V HA -0.301 3.817 4.120 -0.003 0.000 0.246 434 V C 2.579 178.455 176.094 -0.363 0.000 1.047 434 V CA 1.977 63.999 62.300 -0.462 0.000 1.035 434 V CB -0.564 30.965 31.823 -0.489 0.000 0.658 434 V HN 0.450 nan 8.190 nan 0.000 0.452 435 K N -0.009 120.170 120.400 -0.367 0.000 2.032 435 K HA -0.226 4.092 4.320 -0.003 0.000 0.209 435 K C 2.311 178.658 176.600 -0.422 0.000 1.048 435 K CA 1.402 57.486 56.287 -0.338 0.000 0.927 435 K CB -0.079 32.247 32.500 -0.290 0.000 0.712 435 K HN 0.249 nan 8.250 nan 0.000 0.441 436 K N 0.785 120.817 120.400 -0.612 0.000 2.026 436 K HA -0.122 4.196 4.320 -0.003 0.000 0.208 436 K C 2.192 178.453 176.600 -0.565 0.000 1.048 436 K CA 1.394 57.247 56.287 -0.724 0.000 0.929 436 K CB -0.389 31.450 32.500 -1.103 0.000 0.713 436 K HN 0.283 nan 8.250 nan 0.000 0.439 437 I N 1.827 122.147 120.570 -0.417 0.000 2.163 437 I HA -0.328 3.840 4.170 -0.003 0.000 0.243 437 I C 1.974 177.937 176.117 -0.257 0.000 1.085 437 I CA 1.191 62.317 61.300 -0.289 0.000 1.347 437 I CB -0.410 37.483 38.000 -0.178 0.000 1.044 437 I HN 0.153 nan 8.210 nan 0.000 0.408 438 N N 1.148 119.698 118.700 -0.249 0.000 2.120 438 N HA -0.200 4.538 4.740 -0.003 0.000 0.188 438 N C 1.849 177.240 175.510 -0.199 0.000 1.024 438 N CA 1.793 54.720 53.050 -0.204 0.000 0.852 438 N CB -1.188 37.184 38.487 -0.192 0.000 1.003 438 N HN 0.544 nan 8.380 nan 0.000 0.424 439 N N 0.860 119.419 118.700 -0.234 0.000 2.104 439 N HA -0.125 4.613 4.740 -0.003 0.000 0.190 439 N C 2.136 177.526 175.510 -0.200 0.000 1.024 439 N CA 1.902 54.824 53.050 -0.213 0.000 0.853 439 N CB -0.856 37.483 38.487 -0.247 0.000 1.008 439 N HN 0.051 nan 8.380 nan 0.000 0.424 440 V N 0.462 120.236 119.914 -0.233 0.000 2.358 440 V HA -0.082 4.036 4.120 -0.003 0.000 0.246 440 V C 2.330 178.331 176.094 -0.156 0.000 1.047 440 V CA 1.254 63.434 62.300 -0.200 0.000 1.035 440 V CB -0.372 31.312 31.823 -0.232 0.000 0.658 440 V HN 0.614 nan 8.190 nan 0.000 0.452 441 L N -0.395 120.736 121.223 -0.154 0.000 2.446 441 L HA 0.138 4.476 4.340 -0.003 0.000 0.219 441 L C 1.353 178.151 176.870 -0.120 0.000 1.116 441 L CA 0.436 55.198 54.840 -0.131 0.000 0.844 441 L CB -0.472 41.510 42.059 -0.130 0.000 0.970 441 L HN 0.504 nan 8.230 nan 0.000 0.457 442 C N 0.502 119.729 119.300 -0.122 0.000 2.168 442 C HA 0.578 5.036 4.460 -0.003 0.000 0.333 442 C C 1.127 176.061 174.990 -0.094 0.000 1.106 442 C CA -0.318 58.637 59.018 -0.105 0.000 1.574 442 C CB 0.221 nan 27.740 nan 0.000 2.055 442 C HN 0.311 nan 8.230 nan 0.000 0.473 443 Q N 0.761 120.512 119.800 -0.081 0.000 2.157 443 Q HA 0.269 4.607 4.340 -0.003 0.000 0.235 443 Q C -0.080 175.887 176.000 -0.056 0.000 0.803 443 Q CA 0.771 56.531 55.803 -0.072 0.000 0.967 443 Q CB 0.680 29.373 28.738 -0.074 0.000 1.150 443 Q HN 0.850 nan 8.270 nan 0.000 0.482 444 E N -0.056 120.114 120.200 -0.050 0.000 2.352 444 E HA 0.303 4.651 4.350 -0.003 0.000 0.280 444 E C -1.006 175.576 176.600 -0.030 0.000 0.930 444 E CA -0.549 55.831 56.400 -0.035 0.000 0.765 444 E CB 1.581 31.266 29.700 -0.024 0.000 1.219 444 E HN 0.053 nan 8.360 nan 0.000 0.434 445 R N 1.744 122.230 120.500 -0.024 0.000 2.522 445 R HA 0.043 4.381 4.340 -0.003 0.000 0.284 445 R C 0.710 177.007 176.300 -0.006 0.000 1.032 445 R CA 0.243 56.333 56.100 -0.018 0.000 1.049 445 R CB 0.442 30.730 30.300 -0.019 0.000 0.956 445 R HN 0.383 nan 8.270 nan 0.000 0.422 446 K N 1.734 122.138 120.400 0.008 0.000 2.202 446 K HA 0.237 4.555 4.320 -0.003 0.000 0.264 446 K C 0.254 176.851 176.600 -0.004 0.000 1.010 446 K CA -0.115 56.196 56.287 0.041 0.000 0.940 446 K CB 1.263 33.823 32.500 0.100 0.000 0.983 446 K HN 0.518 nan 8.250 nan 0.000 0.475 447 A N 2.131 124.934 122.820 -0.029 0.000 1.924 447 A HA 0.158 4.477 4.320 -0.003 0.000 0.211 447 A C -0.216 177.054 177.584 -0.524 0.000 1.198 447 A CA 0.556 52.413 52.037 -0.300 0.000 0.657 447 A CB -0.224 18.595 19.000 -0.302 0.000 0.852 447 A HN 0.700 nan 8.150 nan 0.000 0.454 448 Y N -2.080 118.348 120.300 0.213 0.000 2.644 448 Y HA 0.572 5.120 4.550 -0.003 0.000 0.338 448 Y C -0.624 175.518 175.900 0.402 0.000 1.119 448 Y CA -1.696 56.529 58.100 0.208 0.000 1.060 448 Y CB 1.417 39.935 38.460 0.097 0.000 1.294 448 Y HN 0.333 nan 8.280 nan 0.000 0.472 449 F N -0.726 119.481 119.950 0.429 0.000 2.613 449 F HA 0.870 5.395 4.527 -0.003 0.000 0.310 449 F C -1.908 174.105 175.800 0.356 0.000 1.085 449 F CA -1.516 56.718 58.000 0.389 0.000 0.945 449 F CB 1.282 40.401 39.000 0.199 0.000 1.298 449 F HN 0.262 nan 8.300 nan 0.000 0.455 450 I N 2.268 123.165 120.570 0.546 0.000 2.389 450 I HA 0.566 4.734 4.170 -0.003 0.000 0.288 450 I C 0.197 176.515 176.117 0.335 0.000 0.999 450 I CA -0.862 60.635 61.300 0.328 0.000 1.129 450 I CB 1.730 39.928 38.000 0.330 0.000 1.288 450 I HN 0.969 nan 8.210 nan 0.000 0.444 451 G N 5.626 114.601 108.800 0.292 0.000 2.356 451 G HA2 0.598 4.556 3.960 -0.003 0.000 0.322 451 G HA3 0.598 4.556 3.960 -0.003 0.000 0.322 451 G C -0.832 173.913 174.900 -0.257 0.000 1.125 451 G CA -0.319 44.642 45.100 -0.233 0.000 0.885 451 G HN 0.336 nan 8.290 nan 0.000 0.467 452 V N 3.009 122.675 119.914 -0.414 0.000 2.409 452 V HA 0.381 4.499 4.120 -0.003 0.000 0.291 452 V C -0.437 175.630 176.094 -0.044 0.000 1.020 452 V CA -0.844 61.389 62.300 -0.112 0.000 0.848 452 V CB 1.402 33.197 31.823 -0.047 0.000 0.990 452 V HN 0.658 nan 8.190 nan 0.000 0.430 453 L N 4.109 125.431 121.223 0.165 0.000 2.272 453 L HA 0.697 5.035 4.340 -0.003 0.000 0.289 453 L C -0.565 176.391 176.870 0.143 0.000 1.032 453 L CA 0.354 55.364 54.840 0.284 0.000 0.810 453 L CB 1.260 43.500 42.059 0.303 0.000 1.205 453 L HN 0.721 nan 8.230 nan 0.000 0.422 454 D N 5.421 125.896 120.400 0.125 0.000 2.378 454 D HA 0.261 4.899 4.640 -0.003 0.000 0.265 454 D C -0.234 176.083 176.300 0.028 0.000 1.229 454 D CA -0.367 53.666 54.000 0.055 0.000 0.914 454 D CB 0.372 41.184 40.800 0.021 0.000 1.140 454 D HN 0.505 nan 8.370 nan 0.000 0.516 455 I N -0.917 119.674 120.570 0.035 0.000 3.021 455 I HA 0.477 4.645 4.170 -0.003 0.000 0.303 455 I C 0.224 176.337 176.117 -0.008 0.000 1.044 455 I CA -0.653 60.658 61.300 0.018 0.000 1.266 455 I CB 1.051 39.059 38.000 0.014 0.000 1.447 455 I HN -0.031 nan 8.210 nan 0.000 0.593 456 S N 2.237 117.935 115.700 -0.004 0.000 2.510 456 S HA 0.373 4.841 4.470 -0.003 0.000 0.279 456 S C 0.365 174.984 174.600 0.031 0.000 1.284 456 S CA -0.341 57.864 58.200 0.009 0.000 1.059 456 S CB 0.621 63.837 63.200 0.027 0.000 0.901 456 S HN 0.899 nan 8.310 nan 0.000 0.491 457 G N 1.519 110.345 108.800 0.044 0.000 2.562 457 G HA2 0.469 4.428 3.960 -0.003 0.000 0.275 457 G HA3 0.469 4.428 3.960 -0.003 0.000 0.275 457 G C -0.425 174.524 174.900 0.081 0.000 1.196 457 G CA -0.769 44.382 45.100 0.085 0.000 0.908 457 G HN 0.599 nan 8.290 nan 0.000 0.524 458 F N 1.034 120.981 119.950 -0.006 0.000 2.629 458 F HA 0.218 4.743 4.527 -0.004 0.000 0.377 458 F C 0.957 176.676 175.800 -0.135 0.000 1.101 458 F CA 0.635 58.598 58.000 -0.062 0.000 1.301 458 F CB 0.504 39.469 39.000 -0.059 0.000 1.062 458 F HN 0.592 nan 8.300 nan 0.000 0.583 459 E N 6.100 125.900 120.200 -0.667 0.000 2.343 459 E HA 0.597 4.945 4.350 -0.003 0.000 0.278 459 E C -1.735 174.384 176.600 -0.801 0.000 0.910 459 E CA -0.920 55.124 56.400 -0.594 0.000 0.757 459 E CB 1.934 31.296 29.700 -0.564 0.000 1.218 459 E HN 0.548 nan 8.360 nan 0.000 0.435 460 I N 2.543 122.677 120.570 -0.727 0.000 2.499 460 I HA 0.450 4.618 4.170 -0.003 0.000 0.288 460 I C -1.190 174.549 176.117 -0.629 0.000 1.048 460 I CA -0.812 60.145 61.300 -0.573 0.000 1.062 460 I CB 0.912 38.759 38.000 -0.256 0.000 1.238 460 I HN 0.460 nan 8.210 nan 0.000 0.426 461 F N 3.522 123.422 119.950 -0.082 0.000 2.631 461 F HA 0.491 5.016 4.527 -0.003 0.000 0.350 461 F C 1.474 177.247 175.800 -0.045 0.000 1.080 461 F CA -1.044 56.928 58.000 -0.046 0.000 1.026 461 F CB 0.832 39.819 39.000 -0.022 0.000 1.347 461 F HN 0.284 nan 8.300 nan 0.000 0.501 462 K N -0.190 120.334 120.400 0.205 0.000 2.097 462 K HA 0.025 4.343 4.320 -0.003 0.000 0.206 462 K C -0.282 176.376 176.600 0.096 0.000 1.049 462 K CA 1.127 57.472 56.287 0.097 0.000 0.933 462 K CB -0.095 32.448 32.500 0.071 0.000 0.717 462 K HN 0.174 nan 8.250 nan 0.000 0.442 463 V N 2.669 122.669 119.914 0.144 0.000 2.444 463 V HA 0.182 4.300 4.120 -0.003 0.000 0.294 463 V C -0.880 175.326 176.094 0.187 0.000 1.022 463 V CA -1.065 61.313 62.300 0.130 0.000 0.850 463 V CB 1.492 33.387 31.823 0.120 0.000 0.992 463 V HN 0.187 nan 8.190 nan 0.000 0.426 464 N N 2.688 121.470 118.700 0.136 0.000 2.372 464 N HA 0.563 5.301 4.740 -0.003 0.000 0.291 464 N C -0.345 175.380 175.510 0.359 0.000 1.024 464 N CA -0.181 52.980 53.050 0.186 0.000 0.873 464 N CB 2.338 40.774 38.487 -0.086 0.000 1.206 464 N HN 0.621 nan 8.380 nan 0.000 0.486 465 S N 0.440 116.389 115.700 0.415 0.000 2.837 465 S HA 0.368 4.836 4.470 -0.003 0.000 0.314 465 S C 0.891 175.691 174.600 0.333 0.000 1.098 465 S CA -0.561 57.959 58.200 0.532 0.000 0.903 465 S CB 0.380 63.777 63.200 0.329 0.000 1.310 465 S HN 0.422 nan 8.310 nan 0.000 0.581 466 F N 2.104 121.795 119.950 -0.431 0.000 2.120 466 F HA -0.101 4.424 4.527 -0.003 0.000 0.300 466 F C 1.874 177.370 175.800 -0.506 0.000 1.095 466 F CA 2.589 59.886 58.000 -1.171 0.000 1.249 466 F CB -0.639 37.521 39.000 -1.399 0.000 0.995 466 F HN 0.672 nan 8.300 nan 0.000 0.480 467 E N -0.039 119.953 120.200 -0.347 0.000 2.085 467 E HA -0.250 4.098 4.350 -0.003 0.000 0.194 467 E C 2.076 178.541 176.600 -0.225 0.000 0.994 467 E CA 1.633 57.845 56.400 -0.313 0.000 0.801 467 E CB -0.355 29.302 29.700 -0.072 0.000 0.743 467 E HN 0.437 nan 8.360 nan 0.000 0.453 468 Q N -0.022 119.750 119.800 -0.045 0.000 2.119 468 Q HA -0.088 4.250 4.340 -0.003 0.000 0.201 468 Q C 2.050 178.056 176.000 0.010 0.000 0.972 468 Q CA 0.728 56.554 55.803 0.039 0.000 0.847 468 Q CB -0.288 28.566 28.738 0.192 0.000 0.903 468 Q HN 0.231 nan 8.270 nan 0.000 0.433 469 L N -0.353 120.795 121.223 -0.124 0.000 2.017 469 L HA -0.183 4.155 4.340 -0.003 0.000 0.208 469 L C 1.857 178.545 176.870 -0.302 0.000 1.073 469 L CA 1.798 56.425 54.840 -0.357 0.000 0.745 469 L CB -0.769 40.948 42.059 -0.569 0.000 0.894 469 L HN 0.288 nan 8.230 nan 0.000 0.432 470 C N -0.583 118.384 119.300 -0.555 0.000 2.446 470 C HA -0.085 4.373 4.460 -0.003 0.000 0.277 470 C C 2.714 177.545 174.990 -0.266 0.000 1.275 470 C CA 0.675 59.292 59.018 -0.668 0.000 1.727 470 C CB -0.897 26.230 27.740 -1.022 0.000 2.010 470 C HN 0.584 nan 8.230 nan 0.000 0.486 471 I N 1.648 122.107 120.570 -0.185 0.000 2.127 471 I HA -0.213 3.955 4.170 -0.003 0.000 0.241 471 I C 2.166 178.251 176.117 -0.053 0.000 1.075 471 I CA 1.534 62.789 61.300 -0.074 0.000 1.334 471 I CB -0.521 37.427 38.000 -0.087 0.000 1.040 471 I HN 0.386 nan 8.210 nan 0.000 0.405 472 N N -0.047 118.572 118.700 -0.134 0.000 2.244 472 N HA -0.212 4.526 4.740 -0.003 0.000 0.183 472 N C 1.752 177.335 175.510 0.121 0.000 1.016 472 N CA 1.050 53.985 53.050 -0.191 0.000 0.866 472 N CB -0.478 37.606 38.487 -0.672 0.000 0.980 472 N HN 0.371 nan 8.380 nan 0.000 0.430 473 Y N 2.201 122.535 120.300 0.057 0.000 2.181 473 Y HA -0.151 4.397 4.550 -0.003 0.000 0.288 473 Y C 2.140 178.144 175.900 0.173 0.000 1.146 473 Y CA 1.431 59.634 58.100 0.171 0.000 1.164 473 Y CB -0.774 37.728 38.460 0.071 0.000 0.982 473 Y HN -0.023 nan 8.280 nan 0.000 0.515 474 T N 1.085 115.653 114.554 0.023 0.000 2.720 474 T HA -0.219 4.129 4.350 -0.003 0.000 0.268 474 T C 1.763 176.429 174.700 -0.056 0.000 1.037 474 T CA 1.709 63.770 62.100 -0.065 0.000 1.144 474 T CB -0.365 68.530 68.868 0.045 0.000 0.864 474 T HN 0.484 nan 8.240 nan 0.000 0.444 475 N N 0.586 119.330 118.700 0.072 0.000 2.120 475 N HA -0.125 4.613 4.740 -0.003 0.000 0.188 475 N C 2.058 177.559 175.510 -0.014 0.000 1.024 475 N CA 1.170 54.302 53.050 0.135 0.000 0.852 475 N CB -0.188 38.545 38.487 0.410 0.000 1.003 475 N HN 0.451 nan 8.380 nan 0.000 0.424 476 E N 1.537 121.803 120.200 0.110 0.000 2.085 476 E HA -0.135 4.213 4.350 -0.003 0.000 0.194 476 E C 1.741 178.267 176.600 -0.123 0.000 0.994 476 E CA 1.251 57.642 56.400 -0.015 0.000 0.801 476 E CB 0.181 30.103 29.700 0.370 0.000 0.743 476 E HN 0.081 nan 8.360 nan 0.000 0.453 477 K N -0.040 120.270 120.400 -0.151 0.000 2.057 477 K HA -0.109 4.209 4.320 -0.003 0.000 0.206 477 K C 2.125 178.694 176.600 -0.052 0.000 1.050 477 K CA 0.693 56.890 56.287 -0.151 0.000 0.935 477 K CB -0.504 31.799 32.500 -0.328 0.000 0.715 477 K HN 0.212 nan 8.250 nan 0.000 0.439 478 L N 1.892 123.070 121.223 -0.075 0.000 2.046 478 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 478 L C 2.492 179.398 176.870 0.060 0.000 1.077 478 L CA 1.830 56.680 54.840 0.017 0.000 0.747 478 L CB -0.677 41.380 42.059 -0.003 0.000 0.896 478 L HN 0.127 nan 8.230 nan 0.000 0.432 479 Q N -0.459 119.251 119.800 -0.150 0.000 2.084 479 Q HA -0.269 4.069 4.340 -0.003 0.000 0.202 479 Q C 2.312 178.317 176.000 0.008 0.000 0.978 479 Q CA 2.119 57.800 55.803 -0.203 0.000 0.844 479 Q CB -0.474 27.842 28.738 -0.702 0.000 0.898 479 Q HN 0.679 nan 8.270 nan 0.000 0.426 480 Q N -1.171 118.638 119.800 0.014 0.000 2.135 480 Q HA -0.200 4.138 4.340 -0.003 0.000 0.204 480 Q C 1.842 177.953 176.000 0.185 0.000 0.981 480 Q CA 1.573 57.441 55.803 0.110 0.000 0.856 480 Q CB -0.293 28.502 28.738 0.095 0.000 0.902 480 Q HN 0.518 nan 8.270 nan 0.000 0.425 481 F N 0.329 120.333 119.950 0.089 0.000 2.102 481 F HA -0.240 4.285 4.527 -0.003 0.000 0.298 481 F C 1.919 177.842 175.800 0.205 0.000 1.105 481 F CA 1.688 59.802 58.000 0.190 0.000 1.239 481 F CB -0.566 38.550 39.000 0.193 0.000 0.991 481 F HN 0.196 nan 8.300 nan 0.000 0.474 482 F N 1.563 121.514 119.950 0.001 0.000 2.065 482 F HA -0.347 4.178 4.527 -0.003 0.000 0.298 482 F C 2.227 177.744 175.800 -0.473 0.000 1.112 482 F CA 2.307 59.911 58.000 -0.659 0.000 1.212 482 F CB -0.839 37.699 39.000 -0.771 0.000 0.975 482 F HN -0.043 nan 8.300 nan 0.000 0.476 483 N N -0.452 118.182 118.700 -0.110 0.000 2.069 483 N HA -0.246 4.492 4.740 -0.003 0.000 0.191 483 N C 2.095 177.527 175.510 -0.130 0.000 1.031 483 N CA 1.643 54.697 53.050 0.007 0.000 0.852 483 N CB -1.121 37.513 38.487 0.246 0.000 1.018 483 N HN 0.520 nan 8.380 nan 0.000 0.423 484 H N 0.342 119.298 119.070 -0.190 0.000 2.319 484 H HA -0.106 4.448 4.556 -0.003 0.000 0.299 484 H C 1.628 176.692 175.328 -0.440 0.000 1.092 484 H CA 1.560 57.460 56.048 -0.246 0.000 1.302 484 H CB 0.048 29.666 29.762 -0.240 0.000 1.373 484 H HN 0.389 nan 8.280 nan 0.000 0.497 485 H N -0.751 118.008 119.070 -0.518 0.000 2.395 485 H HA -0.066 4.488 4.556 -0.003 0.000 0.299 485 H C 2.415 177.346 175.328 -0.660 0.000 1.070 485 H CA 1.004 56.729 56.048 -0.538 0.000 1.356 485 H CB 0.419 29.947 29.762 -0.391 0.000 1.401 485 H HN 0.351 nan 8.280 nan 0.000 0.524 486 M N -0.368 118.670 119.600 -0.937 0.000 2.236 486 M HA -0.060 4.418 4.480 -0.003 0.000 0.266 486 M C 1.432 177.079 176.300 -1.088 0.000 1.070 486 M CA 1.277 55.814 55.300 -1.271 0.000 1.137 486 M CB -0.518 30.701 32.600 -2.302 0.000 1.378 486 M HN 0.153 nan 8.290 nan 0.000 0.426 487 F N -0.917 118.755 119.950 -0.464 0.000 2.537 487 F HA 0.217 4.742 4.527 -0.003 0.000 0.275 487 F C 2.355 178.028 175.800 -0.211 0.000 0.947 487 F CA 0.163 57.962 58.000 -0.334 0.000 1.238 487 F CB -0.771 38.061 39.000 -0.280 0.000 1.071 487 F HN -0.070 nan 8.300 nan 0.000 0.749 488 K N 0.976 121.326 120.400 -0.084 0.000 1.995 488 K HA 0.013 4.331 4.320 -0.003 0.000 0.207 488 K C 2.015 178.431 176.600 -0.307 0.000 1.041 488 K CA 1.103 57.321 56.287 -0.114 0.000 0.942 488 K CB -0.416 31.983 32.500 -0.168 0.000 0.731 488 K HN 0.131 nan 8.250 nan 0.000 0.439 489 L N 1.005 121.868 121.223 -0.600 0.000 2.042 489 L HA -0.210 4.128 4.340 -0.003 0.000 0.210 489 L C 2.551 179.174 176.870 -0.411 0.000 1.076 489 L CA 1.382 55.901 54.840 -0.534 0.000 0.749 489 L CB -0.421 41.224 42.059 -0.691 0.000 0.893 489 L HN 0.339 nan 8.230 nan 0.000 0.432 490 E N 0.329 120.254 120.200 -0.458 0.000 2.038 490 E HA -0.259 4.089 4.350 -0.003 0.000 0.195 490 E C 2.197 178.255 176.600 -0.904 0.000 1.000 490 E CA 1.677 57.721 56.400 -0.594 0.000 0.803 490 E CB -0.067 29.318 29.700 -0.525 0.000 0.750 490 E HN 0.429 nan 8.360 nan 0.000 0.448 491 Q N -0.180 119.285 119.800 -0.558 0.000 2.123 491 Q HA -0.126 4.212 4.340 -0.003 0.000 0.199 491 Q C 2.214 178.121 176.000 -0.155 0.000 0.966 491 Q CA 1.242 56.817 55.803 -0.380 0.000 0.845 491 Q CB -0.106 28.766 28.738 0.223 0.000 0.907 491 Q HN 0.425 nan 8.270 nan 0.000 0.439 492 E N 0.800 120.930 120.200 -0.116 0.000 2.130 492 E HA -0.255 4.093 4.350 -0.003 0.000 0.196 492 E C 1.863 178.424 176.600 -0.066 0.000 0.998 492 E CA 1.275 57.637 56.400 -0.064 0.000 0.806 492 E CB 0.059 29.706 29.700 -0.089 0.000 0.738 492 E HN 0.247 nan 8.360 nan 0.000 0.459 493 E N 0.201 120.319 120.200 -0.137 0.000 2.028 493 E HA -0.195 4.153 4.350 -0.003 0.000 0.191 493 E C 1.711 178.350 176.600 0.066 0.000 0.988 493 E CA 1.228 57.614 56.400 -0.023 0.000 0.799 493 E CB -0.284 29.402 29.700 -0.023 0.000 0.755 493 E HN 0.251 nan 8.360 nan 0.000 0.447 494 Y N 0.772 120.978 120.300 -0.157 0.000 2.151 494 Y HA -0.201 4.347 4.550 -0.003 0.000 0.284 494 Y C 2.308 178.096 175.900 -0.186 0.000 1.166 494 Y CA 1.098 58.977 58.100 -0.368 0.000 1.163 494 Y CB -0.932 37.182 38.460 -0.577 0.000 0.974 494 Y HN 0.118 nan 8.280 nan 0.000 0.511 495 L N -0.513 120.780 121.223 0.117 0.000 2.109 495 L HA -0.147 4.191 4.340 -0.003 0.000 0.207 495 L C 2.629 179.540 176.870 0.070 0.000 1.086 495 L CA 1.607 56.525 54.840 0.131 0.000 0.760 495 L CB -0.953 41.199 42.059 0.154 0.000 0.910 495 L HN 0.221 nan 8.230 nan 0.000 0.437 496 K N -0.129 120.302 120.400 0.052 0.000 2.155 496 K HA -0.086 4.232 4.320 -0.003 0.000 0.203 496 K C 1.752 178.386 176.600 0.057 0.000 1.052 496 K CA 0.959 57.275 56.287 0.048 0.000 0.948 496 K CB -0.312 32.214 32.500 0.044 0.000 0.728 496 K HN 0.234 nan 8.250 nan 0.000 0.448 497 E N 0.181 120.415 120.200 0.056 0.000 2.476 497 E HA -0.006 4.342 4.350 -0.003 0.000 0.191 497 E C -0.486 176.108 176.600 -0.010 0.000 1.064 497 E CA -0.011 56.423 56.400 0.056 0.000 0.866 497 E CB 0.054 29.825 29.700 0.119 0.000 0.952 497 E HN 0.276 nan 8.360 nan 0.000 0.492 498 K N 0.056 120.455 120.400 -0.002 0.000 4.075 498 K HA -0.163 4.155 4.320 -0.003 0.000 0.278 498 K C 0.377 176.949 176.600 -0.046 0.000 0.862 498 K CA 0.613 56.902 56.287 0.004 0.000 0.762 498 K CB -2.464 30.054 32.500 0.030 0.000 1.660 498 K HN 0.179 nan 8.250 nan 0.000 0.437 499 I N 1.455 121.947 120.570 -0.130 0.000 3.856 499 I HA 0.230 4.398 4.170 -0.003 0.000 0.333 499 I C 1.084 177.120 176.117 -0.136 0.000 1.525 499 I CA 0.509 61.659 61.300 -0.250 0.000 1.173 499 I CB -1.486 36.106 38.000 -0.679 0.000 1.175 499 I HN 0.908 nan 8.210 nan 0.000 0.424 500 N N -0.985 117.713 118.700 -0.004 0.000 2.829 500 N HA -0.215 4.523 4.740 -0.003 0.000 0.250 500 N C 0.031 175.611 175.510 0.116 0.000 1.090 500 N CA 0.614 53.690 53.050 0.043 0.000 0.781 500 N CB -1.046 37.451 38.487 0.015 0.000 1.124 500 N HN 0.726 nan 8.380 nan 0.000 0.559 501 W N 2.306 123.585 121.300 -0.036 0.000 2.311 501 W HA 0.247 4.905 4.660 -0.003 0.000 0.310 501 W C -0.305 176.268 176.519 0.090 0.000 1.274 501 W CA 0.275 57.644 57.345 0.040 0.000 1.215 501 W CB 0.762 30.272 29.460 0.083 0.000 1.227 501 W HN -0.117 nan 8.180 nan 0.000 0.523 502 T N 7.886 122.156 114.554 -0.474 0.000 2.749 502 T HA 0.083 4.431 4.350 -0.003 0.000 0.295 502 T C -0.273 174.125 174.700 -0.503 0.000 0.936 502 T CA -0.304 61.587 62.100 -0.348 0.000 1.060 502 T CB 0.325 69.017 68.868 -0.294 0.000 0.904 502 T HN 0.276 nan 8.240 nan 0.000 0.500 503 F N 4.904 124.782 119.950 -0.120 0.000 2.607 503 F HA 0.337 4.862 4.527 -0.003 0.000 0.374 503 F C -0.266 175.505 175.800 -0.048 0.000 1.104 503 F CA -0.466 57.598 58.000 0.107 0.000 1.296 503 F CB 0.126 39.221 39.000 0.159 0.000 1.085 503 F HN 0.428 nan 8.300 nan 0.000 0.584 504 I N 5.503 125.556 120.570 -0.861 0.000 2.404 504 I HA 0.163 4.331 4.170 -0.003 0.000 0.293 504 I C -0.744 174.601 176.117 -1.286 0.000 0.992 504 I CA -0.899 59.846 61.300 -0.925 0.000 1.149 504 I CB 1.480 38.931 38.000 -0.915 0.000 1.315 504 I HN 0.478 nan 8.210 nan 0.000 0.446 505 D N 5.668 125.604 120.400 -0.772 0.000 2.393 505 D HA 0.164 4.802 4.640 -0.003 0.000 0.232 505 D C 0.341 176.388 176.300 -0.422 0.000 1.192 505 D CA -0.068 53.697 54.000 -0.392 0.000 0.882 505 D CB 0.514 41.285 40.800 -0.048 0.000 1.038 505 D HN 0.280 nan 8.370 nan 0.000 0.499 506 F N 1.768 121.541 119.950 -0.295 0.000 2.802 506 F HA 0.177 4.702 4.527 -0.003 0.000 0.300 506 F C 2.244 177.891 175.800 -0.256 0.000 1.168 506 F CA 0.517 58.300 58.000 -0.362 0.000 1.433 506 F CB 0.006 38.547 39.000 -0.764 0.000 1.115 506 F HN 0.636 nan 8.300 nan 0.000 0.582 507 G N 1.138 109.925 108.800 -0.021 0.000 2.203 507 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.263 507 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.263 507 G C -0.056 174.860 174.900 0.027 0.000 1.012 507 G CA 0.027 45.132 45.100 0.009 0.000 0.749 507 G HN 0.337 nan 8.290 nan 0.000 0.512 508 L N 0.677 121.910 121.223 0.016 0.000 2.324 508 L HA 0.607 4.945 4.340 -0.003 0.000 0.274 508 L C -0.783 176.149 176.870 0.103 0.000 1.012 508 L CA -0.754 54.119 54.840 0.055 0.000 0.859 508 L CB 1.759 43.836 42.059 0.031 0.000 1.224 508 L HN 0.105 nan 8.230 nan 0.000 0.429 509 D N 0.792 121.261 120.400 0.115 0.000 2.613 509 D HA 0.179 4.817 4.640 -0.003 0.000 0.230 509 D C 0.053 176.430 176.300 0.129 0.000 1.365 509 D CA -0.271 53.807 54.000 0.129 0.000 0.976 509 D CB 2.097 42.973 40.800 0.126 0.000 1.415 509 D HN 0.160 nan 8.370 nan 0.000 0.589 510 S N 2.252 118.033 115.700 0.135 0.000 2.603 510 S HA -0.077 4.391 4.470 -0.003 0.000 0.220 510 S C 1.491 176.179 174.600 0.147 0.000 0.967 510 S CA 0.033 58.322 58.200 0.148 0.000 0.920 510 S CB 0.289 63.567 63.200 0.130 0.000 0.773 510 S HN 0.438 nan 8.310 nan 0.000 0.529 511 Q N 2.579 122.457 119.800 0.130 0.000 2.096 511 Q HA -0.058 4.280 4.340 -0.003 0.000 0.204 511 Q C 2.090 178.159 176.000 0.114 0.000 0.982 511 Q CA 1.996 57.872 55.803 0.122 0.000 0.850 511 Q CB -0.633 28.169 28.738 0.107 0.000 0.901 511 Q HN 0.529 nan 8.270 nan 0.000 0.422 512 A N -1.016 121.866 122.820 0.103 0.000 1.902 512 A HA -0.194 4.124 4.320 -0.003 0.000 0.217 512 A C 2.296 179.928 177.584 0.080 0.000 1.181 512 A CA 2.060 54.148 52.037 0.085 0.000 0.623 512 A CB -1.014 18.034 19.000 0.080 0.000 0.818 512 A HN 0.488 nan 8.150 nan 0.000 0.443 513 T N 0.149 114.767 114.554 0.108 0.000 2.777 513 T HA -0.037 4.311 4.350 -0.003 0.000 0.266 513 T C 1.794 176.574 174.700 0.133 0.000 1.040 513 T CA 1.358 63.521 62.100 0.105 0.000 1.141 513 T CB -0.374 68.584 68.868 0.150 0.000 0.868 513 T HN 0.414 nan 8.240 nan 0.000 0.444 514 I N 1.403 122.093 120.570 0.199 0.000 2.163 514 I HA -0.199 3.969 4.170 -0.003 0.000 0.243 514 I C 2.312 178.512 176.117 0.139 0.000 1.085 514 I CA 1.276 62.746 61.300 0.283 0.000 1.347 514 I CB -0.344 37.834 38.000 0.296 0.000 1.044 514 I HN 0.130 nan 8.210 nan 0.000 0.408 515 D N 0.614 121.070 120.400 0.093 0.000 2.117 515 D HA -0.179 4.459 4.640 -0.003 0.000 0.197 515 D C 1.996 178.280 176.300 -0.026 0.000 0.987 515 D CA 1.044 55.072 54.000 0.047 0.000 0.829 515 D CB -0.442 40.392 40.800 0.057 0.000 0.961 515 D HN 0.160 nan 8.370 nan 0.000 0.460 516 L N 0.825 122.004 121.223 -0.072 0.000 2.013 516 L HA -0.176 4.162 4.340 -0.003 0.000 0.212 516 L C 2.061 178.756 176.870 -0.291 0.000 1.073 516 L CA 1.607 56.296 54.840 -0.251 0.000 0.753 516 L CB -0.527 41.398 42.059 -0.224 0.000 0.890 516 L HN 0.025 nan 8.230 nan 0.000 0.432 517 I N -0.229 120.220 120.570 -0.201 0.000 2.277 517 I HA -0.143 4.025 4.170 -0.003 0.000 0.243 517 I C 1.546 177.490 176.117 -0.288 0.000 1.094 517 I CA 1.518 62.652 61.300 -0.277 0.000 1.393 517 I CB -0.406 37.344 38.000 -0.416 0.000 1.078 517 I HN 0.442 nan 8.210 nan 0.000 0.417 518 D N 0.576 120.830 120.400 -0.243 0.000 2.431 518 D HA 0.061 4.699 4.640 -0.003 0.000 0.213 518 D C 0.875 177.172 176.300 -0.005 0.000 1.130 518 D CA -0.097 53.825 54.000 -0.129 0.000 0.834 518 D CB -0.199 40.556 40.800 -0.075 0.000 0.985 518 D HN 0.091 nan 8.370 nan 0.000 0.504 519 G N -0.218 108.582 108.800 0.000 0.000 2.474 519 G HA2 0.307 4.265 3.960 -0.003 0.000 0.233 519 G HA3 0.307 4.265 3.960 -0.003 0.000 0.233 519 G C 0.950 175.880 174.900 0.051 0.000 1.278 519 G CA 0.317 45.443 45.100 0.043 0.000 0.861 519 G HN 0.470 nan 8.290 nan 0.000 0.567 520 R N 0.380 120.912 120.500 0.054 0.000 2.164 520 R HA 0.406 4.744 4.340 -0.003 0.000 0.198 520 R C 1.148 177.476 176.300 0.047 0.000 1.028 520 R CA 1.501 57.629 56.100 0.048 0.000 1.083 520 R CB -0.204 30.124 30.300 0.046 0.000 1.026 520 R HN 0.694 nan 8.270 nan 0.000 0.514 521 Q N 1.242 121.072 119.800 0.049 0.000 2.295 521 Q HA 0.428 4.766 4.340 -0.003 0.000 0.259 521 Q C -2.724 173.308 176.000 0.054 0.000 0.966 521 Q CA -2.031 53.800 55.803 0.047 0.000 0.763 521 Q CB 1.945 30.704 28.738 0.034 0.000 1.283 521 Q HN 0.426 nan 8.270 nan 0.000 0.445 522 P HA 0.328 nan 4.420 nan 0.000 0.272 522 P C -2.621 174.743 177.300 0.106 0.000 1.230 522 P CA -1.141 62.009 63.100 0.084 0.000 0.788 522 P CB -0.066 31.694 31.700 0.100 0.000 0.949 523 P HA 0.084 nan 4.420 nan 0.000 0.268 523 P C 0.404 177.814 177.300 0.184 0.000 1.204 523 P CA 0.271 63.417 63.100 0.077 0.000 0.768 523 P CB 0.587 32.282 31.700 -0.008 0.000 0.842 524 G N 1.994 110.876 108.800 0.136 0.000 2.525 524 G HA2 0.260 4.218 3.960 -0.003 0.000 0.287 524 G HA3 0.260 4.218 3.960 -0.003 0.000 0.287 524 G C 1.212 176.184 174.900 0.120 0.000 1.350 524 G CA -0.845 44.326 45.100 0.118 0.000 1.039 524 G HN 0.379 nan 8.290 nan 0.000 0.513 525 I N -0.403 120.139 120.570 -0.047 0.000 2.118 525 I HA -0.215 3.954 4.170 -0.003 0.000 0.241 525 I C 2.698 178.843 176.117 0.046 0.000 1.070 525 I CA 1.168 62.465 61.300 -0.005 0.000 1.327 525 I CB -0.290 37.656 38.000 -0.091 0.000 1.034 525 I HN 0.302 nan 8.210 nan 0.000 0.405 526 L N 0.403 121.640 121.223 0.024 0.000 2.083 526 L HA -0.186 4.152 4.340 -0.003 0.000 0.209 526 L C 2.881 179.785 176.870 0.056 0.000 1.083 526 L CA 1.229 56.108 54.840 0.066 0.000 0.752 526 L CB -0.793 41.288 42.059 0.036 0.000 0.899 526 L HN 0.257 nan 8.230 nan 0.000 0.433 527 A N 0.304 123.143 122.820 0.032 0.000 1.908 527 A HA -0.172 4.146 4.320 -0.003 0.000 0.218 527 A C 2.258 179.834 177.584 -0.014 0.000 1.181 527 A CA 1.507 53.555 52.037 0.018 0.000 0.627 527 A CB -0.671 18.339 19.000 0.017 0.000 0.818 527 A HN 0.365 nan 8.150 nan 0.000 0.445 528 L N -1.143 120.055 121.223 -0.042 0.000 2.109 528 L HA -0.125 4.213 4.340 -0.003 0.000 0.207 528 L C 2.530 179.369 176.870 -0.051 0.000 1.086 528 L CA 0.934 55.706 54.840 -0.112 0.000 0.760 528 L CB -0.515 41.415 42.059 -0.215 0.000 0.910 528 L HN 0.475 nan 8.230 nan 0.000 0.437 529 L N 0.153 121.384 121.223 0.015 0.000 2.012 529 L HA -0.260 4.078 4.340 -0.003 0.000 0.210 529 L C 2.018 178.906 176.870 0.031 0.000 1.073 529 L CA 1.994 56.868 54.840 0.057 0.000 0.748 529 L CB -0.686 41.454 42.059 0.135 0.000 0.891 529 L HN 0.177 nan 8.230 nan 0.000 0.431 530 D N -0.495 119.923 120.400 0.030 0.000 2.123 530 D HA -0.230 4.408 4.640 -0.003 0.000 0.196 530 D C 2.101 178.417 176.300 0.026 0.000 0.992 530 D CA 1.482 55.500 54.000 0.031 0.000 0.833 530 D CB -0.032 40.793 40.800 0.041 0.000 0.954 530 D HN 0.587 nan 8.370 nan 0.000 0.455 531 E N 0.177 120.379 120.200 0.004 0.000 2.031 531 E HA -0.197 4.151 4.350 -0.003 0.000 0.193 531 E C 1.953 178.567 176.600 0.023 0.000 0.994 531 E CA 0.863 57.257 56.400 -0.010 0.000 0.800 531 E CB 0.157 29.818 29.700 -0.064 0.000 0.752 531 E HN 0.166 nan 8.360 nan 0.000 0.447 532 Q N 0.185 119.997 119.800 0.019 0.000 2.135 532 Q HA -0.127 4.211 4.340 -0.003 0.000 0.204 532 Q C 2.346 178.426 176.000 0.132 0.000 0.981 532 Q CA 1.366 57.226 55.803 0.095 0.000 0.856 532 Q CB -0.212 28.560 28.738 0.056 0.000 0.902 532 Q HN 0.197 nan 8.270 nan 0.000 0.425 533 S N 0.577 116.323 115.700 0.077 0.000 2.423 533 S HA -0.089 4.379 4.470 -0.003 0.000 0.231 533 S C 1.879 176.522 174.600 0.072 0.000 1.014 533 S CA 1.208 59.444 58.200 0.060 0.000 0.965 533 S CB -0.035 63.182 63.200 0.028 0.000 0.785 533 S HN 0.440 nan 8.310 nan 0.000 0.495 534 V N -1.832 118.138 119.914 0.093 0.000 3.542 534 V HA 0.447 4.565 4.120 -0.003 0.000 0.296 534 V C 0.072 176.257 176.094 0.150 0.000 1.364 534 V CA -0.452 61.903 62.300 0.091 0.000 1.118 534 V CB -0.788 31.077 31.823 0.070 0.000 0.972 534 V HN 0.273 nan 8.190 nan 0.000 0.430 535 F N 3.393 123.340 119.950 -0.006 0.000 2.413 535 F HA 0.595 5.120 4.527 -0.003 0.000 0.359 535 F C -1.432 174.365 175.800 -0.005 0.000 1.122 535 F CA -3.115 54.880 58.000 -0.007 0.000 1.160 535 F CB 1.559 40.552 39.000 -0.012 0.000 1.146 535 F HN 0.015 nan 8.300 nan 0.000 0.514 536 P HA -0.161 nan 4.420 nan 0.000 0.218 536 P C 0.559 177.591 177.300 -0.447 0.000 1.148 536 P CA 1.359 64.270 63.100 -0.315 0.000 0.822 536 P CB 0.259 31.819 31.700 -0.233 0.000 0.784 537 N N -0.896 117.268 118.700 -0.893 0.000 2.322 537 N HA 0.129 4.867 4.740 -0.003 0.000 0.194 537 N C 0.494 175.780 175.510 -0.373 0.000 1.126 537 N CA 0.049 52.723 53.050 -0.625 0.000 0.845 537 N CB -0.205 37.907 38.487 -0.625 0.000 0.976 537 N HN 0.082 nan 8.380 nan 0.000 0.475 538 A N 0.791 123.449 122.820 -0.269 0.000 2.407 538 A HA 0.471 4.789 4.320 -0.003 0.000 0.248 538 A C 0.848 178.445 177.584 0.023 0.000 1.082 538 A CA -0.088 51.991 52.037 0.069 0.000 0.785 538 A CB 0.240 19.378 19.000 0.230 0.000 1.020 538 A HN 0.261 nan 8.150 nan 0.000 0.489 539 T N -1.597 112.985 114.554 0.047 0.000 2.864 539 T HA 0.450 4.798 4.350 -0.003 0.000 0.289 539 T C 0.079 174.795 174.700 0.027 0.000 1.082 539 T CA -0.462 61.653 62.100 0.024 0.000 1.009 539 T CB 1.223 70.099 68.868 0.013 0.000 1.234 539 T HN 0.406 nan 8.240 nan 0.000 0.526 540 D N 0.357 120.768 120.400 0.019 0.000 2.178 540 D HA -0.109 4.529 4.640 -0.003 0.000 0.201 540 D C 1.731 178.018 176.300 -0.022 0.000 0.980 540 D CA 1.268 55.271 54.000 0.004 0.000 0.842 540 D CB -0.254 40.551 40.800 0.010 0.000 0.948 540 D HN 0.643 nan 8.370 nan 0.000 0.472 541 N N 0.105 118.800 118.700 -0.008 0.000 2.216 541 N HA -0.131 4.607 4.740 -0.003 0.000 0.183 541 N C 1.706 177.210 175.510 -0.010 0.000 1.017 541 N CA 2.031 55.075 53.050 -0.011 0.000 0.861 541 N CB -0.093 38.396 38.487 0.004 0.000 0.986 541 N HN 0.179 nan 8.380 nan 0.000 0.428 542 T N -1.483 113.079 114.554 0.013 0.000 2.867 542 T HA -0.111 4.237 4.350 -0.003 0.000 0.268 542 T C 1.891 176.584 174.700 -0.012 0.000 1.057 542 T CA 0.942 63.058 62.100 0.026 0.000 1.136 542 T CB -0.502 68.423 68.868 0.095 0.000 0.874 542 T HN 0.172 nan 8.240 nan 0.000 0.466 543 L N 0.698 121.909 121.223 -0.021 0.000 1.994 543 L HA 0.168 4.506 4.340 -0.003 0.000 0.208 543 L C 2.335 179.118 176.870 -0.146 0.000 1.071 543 L CA 1.506 56.307 54.840 -0.064 0.000 0.745 543 L CB -1.042 40.996 42.059 -0.035 0.000 0.892 543 L HN 0.260 nan 8.230 nan 0.000 0.431 544 I N -0.592 119.875 120.570 -0.172 0.000 2.226 544 I HA -0.273 3.895 4.170 -0.003 0.000 0.245 544 I C 2.245 178.139 176.117 -0.373 0.000 1.100 544 I CA 2.030 63.147 61.300 -0.305 0.000 1.374 544 I CB -0.621 37.241 38.000 -0.230 0.000 1.057 544 I HN 0.373 nan 8.210 nan 0.000 0.413 545 T N 0.326 114.783 114.554 -0.161 0.000 2.684 545 T HA -0.267 4.081 4.350 -0.003 0.000 0.267 545 T C 1.927 176.584 174.700 -0.072 0.000 1.036 545 T CA 1.935 63.998 62.100 -0.061 0.000 1.148 545 T CB -0.304 68.559 68.868 -0.008 0.000 0.863 545 T HN 0.205 nan 8.240 nan 0.000 0.436 546 K N 1.233 121.573 120.400 -0.101 0.000 2.032 546 K HA 0.010 4.328 4.320 -0.003 0.000 0.209 546 K C 2.100 178.595 176.600 -0.175 0.000 1.048 546 K CA 1.294 57.516 56.287 -0.107 0.000 0.927 546 K CB -0.755 31.658 32.500 -0.145 0.000 0.712 546 K HN 0.325 nan 8.250 nan 0.000 0.441 547 L N -0.066 121.012 121.223 -0.241 0.000 2.012 547 L HA -0.238 4.100 4.340 -0.003 0.000 0.210 547 L C 2.535 179.299 176.870 -0.176 0.000 1.073 547 L CA 1.487 56.183 54.840 -0.239 0.000 0.748 547 L CB -0.884 41.018 42.059 -0.261 0.000 0.891 547 L HN 0.353 nan 8.230 nan 0.000 0.431 548 H N -0.949 118.112 119.070 -0.015 0.000 2.353 548 H HA -0.147 4.407 4.556 -0.004 0.000 0.300 548 H C 2.633 177.897 175.328 -0.106 0.000 1.090 548 H CA 1.568 57.635 56.048 0.031 0.000 1.327 548 H CB -0.457 29.361 29.762 0.094 0.000 1.383 548 H HN 0.241 nan 8.280 nan 0.000 0.508 549 S N -0.204 115.500 115.700 0.007 0.000 2.370 549 S HA -0.182 4.286 4.470 -0.003 0.000 0.226 549 S C 1.936 176.389 174.600 -0.246 0.000 1.033 549 S CA 1.166 59.314 58.200 -0.086 0.000 1.011 549 S CB -0.202 62.960 63.200 -0.064 0.000 0.852 549 S HN 0.578 nan 8.310 nan 0.000 0.457 550 H N -1.788 116.954 119.070 -0.547 0.000 2.448 550 H HA 0.066 4.621 4.556 -0.002 0.000 0.292 550 H C 1.034 175.827 175.328 -0.891 0.000 1.035 550 H CA 1.394 56.927 56.048 -0.859 0.000 1.349 550 H CB 0.100 29.009 29.762 -1.421 0.000 1.425 550 H HN 0.514 nan 8.280 nan 0.000 0.539 551 F N -0.367 119.402 119.950 -0.301 0.000 2.740 551 F HA 0.158 4.684 4.527 -0.002 0.000 0.304 551 F C 1.284 176.891 175.800 -0.321 0.000 1.098 551 F CA -0.296 57.399 58.000 -0.507 0.000 1.258 551 F CB 0.035 38.331 39.000 -1.173 0.000 1.061 551 F HN -0.215 nan 8.300 nan 0.000 0.598 552 S N 2.034 117.716 115.700 -0.030 0.000 2.533 552 S HA 0.137 4.605 4.470 -0.003 0.000 0.282 552 S C 0.864 175.525 174.600 0.101 0.000 1.304 552 S CA -0.224 58.087 58.200 0.184 0.000 1.063 552 S CB -0.035 63.260 63.200 0.158 0.000 0.881 552 S HN 0.307 nan 8.310 nan 0.000 0.493 553 K N 2.495 122.973 120.400 0.130 0.000 3.130 553 K HA -0.188 4.130 4.320 -0.003 0.000 0.282 553 K C 0.371 177.010 176.600 0.065 0.000 1.145 553 K CA 1.686 58.022 56.287 0.081 0.000 0.831 553 K CB -1.825 30.701 32.500 0.043 0.000 1.226 553 K HN 0.752 nan 8.250 nan 0.000 0.478 554 K N -0.437 120.014 120.400 0.084 0.000 2.509 554 K HA 0.094 4.412 4.320 -0.003 0.000 0.205 554 K C 0.548 177.211 176.600 0.105 0.000 1.336 554 K CA -0.325 56.003 56.287 0.068 0.000 0.912 554 K CB 0.250 32.770 32.500 0.033 0.000 1.568 554 K HN 0.061 nan 8.250 nan 0.000 0.475 555 N N 1.129 119.922 118.700 0.155 0.000 2.419 555 N HA 0.145 4.883 4.740 -0.003 0.000 0.264 555 N C 0.212 175.818 175.510 0.161 0.000 1.031 555 N CA 0.109 53.253 53.050 0.156 0.000 0.951 555 N CB 1.780 40.360 38.487 0.156 0.000 1.101 555 N HN 0.220 nan 8.380 nan 0.000 0.488 556 A N 4.303 127.194 122.820 0.118 0.000 2.125 556 A HA -0.075 4.243 4.320 -0.003 0.000 0.219 556 A C 1.509 179.160 177.584 0.111 0.000 1.156 556 A CA 1.156 53.257 52.037 0.106 0.000 0.671 556 A CB 0.022 19.070 19.000 0.080 0.000 0.794 556 A HN 0.586 nan 8.150 nan 0.000 0.459 557 K N -1.668 118.802 120.400 0.116 0.000 2.374 557 K HA 0.170 4.488 4.320 -0.003 0.000 0.196 557 K C -0.600 176.089 176.600 0.149 0.000 1.023 557 K CA -0.041 56.308 56.287 0.103 0.000 1.103 557 K CB -0.141 32.400 32.500 0.068 0.000 0.848 557 K HN 0.581 nan 8.250 nan 0.000 0.528 558 Y N 1.075 121.408 120.300 0.055 0.000 2.409 558 Y HA 0.337 4.885 4.550 -0.003 0.000 0.339 558 Y C -0.870 175.108 175.900 0.130 0.000 1.033 558 Y CA -1.094 57.068 58.100 0.103 0.000 1.094 558 Y CB 1.536 40.054 38.460 0.097 0.000 1.210 558 Y HN -0.054 nan 8.280 nan 0.000 0.456 559 E N 4.577 124.642 120.200 -0.226 0.000 2.246 559 E HA 0.174 4.522 4.350 -0.003 0.000 0.266 559 E C -1.647 174.806 176.600 -0.245 0.000 0.880 559 E CA -0.756 55.587 56.400 -0.095 0.000 0.762 559 E CB 1.267 30.946 29.700 -0.036 0.000 1.180 559 E HN 0.767 nan 8.360 nan 0.000 0.416 560 E N 6.407 126.583 120.200 -0.040 0.000 2.105 560 E HA 0.244 4.592 4.350 -0.003 0.000 0.285 560 E C -2.080 174.386 176.600 -0.224 0.000 1.055 560 E CA -1.984 54.299 56.400 -0.194 0.000 0.843 560 E CB 0.740 30.208 29.700 -0.387 0.000 1.067 560 E HN 0.269 nan 8.360 nan 0.000 0.398 561 P HA 0.114 nan 4.420 nan 0.000 0.277 561 P C -0.283 176.776 177.300 -0.402 0.000 1.240 561 P CA -0.218 62.625 63.100 -0.429 0.000 0.798 561 P CB 1.047 32.139 31.700 -1.013 0.000 0.979 562 R N 0.999 121.360 120.500 -0.232 0.000 2.276 562 R HA 0.071 4.409 4.340 -0.003 0.000 0.196 562 R C 1.516 177.767 176.300 -0.081 0.000 0.961 562 R CA 0.935 56.968 56.100 -0.112 0.000 1.024 562 R CB -0.435 29.866 30.300 0.001 0.000 0.940 562 R HN 0.542 nan 8.270 nan 0.000 0.480 563 F N -1.390 118.556 119.950 -0.008 0.000 2.765 563 F HA 0.369 4.894 4.527 -0.003 0.000 0.302 563 F C 0.315 176.117 175.800 0.004 0.000 1.111 563 F CA -0.648 57.350 58.000 -0.003 0.000 1.359 563 F CB 0.338 39.334 39.000 -0.008 0.000 1.097 563 F HN -0.259 nan 8.300 nan 0.000 0.577 564 S N -0.126 115.365 115.700 -0.347 0.000 2.537 564 S HA 0.389 4.857 4.470 -0.003 0.000 0.271 564 S C -0.214 174.298 174.600 -0.146 0.000 1.148 564 S CA -0.825 57.268 58.200 -0.179 0.000 0.868 564 S CB 1.602 64.694 63.200 -0.181 0.000 1.115 564 S HN 0.253 nan 8.310 nan 0.000 0.461 565 K N 1.263 121.643 120.400 -0.035 0.000 2.358 565 K HA 0.158 4.476 4.320 -0.003 0.000 0.197 565 K C 0.725 177.355 176.600 0.051 0.000 1.025 565 K CA 0.626 56.927 56.287 0.023 0.000 1.104 565 K CB 0.471 32.986 32.500 0.025 0.000 0.855 565 K HN 0.723 nan 8.250 nan 0.000 0.531 566 T N -2.507 112.058 114.554 0.019 0.000 3.231 566 T HA 0.272 4.620 4.350 -0.003 0.000 0.292 566 T C -0.037 174.655 174.700 -0.013 0.000 1.001 566 T CA -0.530 61.571 62.100 0.001 0.000 0.920 566 T CB 0.270 69.136 68.868 -0.004 0.000 1.140 566 T HN -0.099 nan 8.240 nan 0.000 0.525 567 E N 0.930 121.135 120.200 0.008 0.000 2.343 567 E HA 0.684 5.032 4.350 -0.003 0.000 0.270 567 E C -1.491 175.164 176.600 0.091 0.000 0.895 567 E CA -1.264 55.118 56.400 -0.030 0.000 0.767 567 E CB 2.297 31.951 29.700 -0.077 0.000 1.248 567 E HN 0.436 nan 8.360 nan 0.000 0.440 568 F N -1.521 118.403 119.950 -0.043 0.000 2.613 568 F HA 0.788 5.313 4.527 -0.003 0.000 0.310 568 F C -0.341 175.390 175.800 -0.115 0.000 1.085 568 F CA -0.990 56.937 58.000 -0.123 0.000 0.945 568 F CB 1.278 40.193 39.000 -0.142 0.000 1.298 568 F HN 0.410 nan 8.300 nan 0.000 0.455 569 G N 1.304 110.024 108.800 -0.133 0.000 2.388 569 G HA2 0.606 4.564 3.960 -0.003 0.000 0.330 569 G HA3 0.606 4.564 3.960 -0.003 0.000 0.330 569 G C -1.914 173.000 174.900 0.023 0.000 1.142 569 G CA -1.054 43.996 45.100 -0.083 0.000 0.908 569 G HN 0.698 nan 8.290 nan 0.000 0.473 570 V N 1.260 121.250 119.914 0.125 0.000 2.487 570 V HA 0.385 4.503 4.120 -0.003 0.000 0.298 570 V C 0.127 176.218 176.094 -0.005 0.000 1.028 570 V CA -0.714 61.639 62.300 0.088 0.000 0.860 570 V CB 1.988 33.879 31.823 0.113 0.000 0.991 570 V HN 0.767 nan 8.190 nan 0.000 0.427 571 T N 4.985 119.533 114.554 -0.010 0.000 2.782 571 T HA 0.326 4.674 4.350 -0.003 0.000 0.298 571 T C -0.039 174.671 174.700 0.017 0.000 0.944 571 T CA -0.103 62.015 62.100 0.030 0.000 1.001 571 T CB -0.521 68.378 68.868 0.051 0.000 0.932 571 T HN 0.534 nan 8.240 nan 0.000 0.524 572 H N 1.934 121.123 119.070 0.199 0.000 2.495 572 H HA 0.107 4.662 4.556 -0.003 0.000 0.350 572 H C 1.222 176.612 175.328 0.103 0.000 1.202 572 H CA -0.699 55.505 56.048 0.259 0.000 1.322 572 H CB 0.726 30.739 29.762 0.419 0.000 1.544 572 H HN 0.718 nan 8.280 nan 0.000 0.565 573 Y N 0.088 120.485 120.300 0.161 0.000 2.193 573 Y HA -0.154 4.394 4.550 -0.003 0.000 0.285 573 Y C 1.817 177.641 175.900 -0.127 0.000 1.166 573 Y CA 1.300 59.409 58.100 0.016 0.000 1.181 573 Y CB -0.763 37.707 38.460 0.017 0.000 0.976 573 Y HN 0.454 nan 8.280 nan 0.000 0.520 574 A N 0.315 122.296 122.820 -1.399 0.000 2.275 574 A HA 0.595 4.913 4.320 -0.003 0.000 0.212 574 A C 1.183 178.339 177.584 -0.714 0.000 1.201 574 A CA 0.590 51.786 52.037 -1.401 0.000 0.843 574 A CB -0.900 16.622 19.000 -2.463 0.000 0.873 574 A HN 1.068 nan 8.150 nan 0.000 0.492 575 G N -1.326 107.286 108.800 -0.313 0.000 2.339 575 G HA2 0.193 4.151 3.960 -0.003 0.000 0.381 575 G HA3 0.193 4.151 3.960 -0.003 0.000 0.381 575 G C -0.815 174.156 174.900 0.118 0.000 1.400 575 G CA -0.486 44.574 45.100 -0.067 0.000 1.002 575 G HN 0.394 nan 8.290 nan 0.000 0.633 576 Q N -0.611 119.237 119.800 0.079 0.000 2.332 576 Q HA 0.531 4.869 4.340 -0.003 0.000 0.263 576 Q C -0.380 175.672 176.000 0.087 0.000 0.979 576 Q CA -0.287 55.573 55.803 0.096 0.000 0.885 576 Q CB 1.074 29.837 28.738 0.041 0.000 1.218 576 Q HN 0.593 nan 8.270 nan 0.000 0.405 577 V N 4.916 124.874 119.914 0.073 0.000 2.540 577 V HA 0.384 4.502 4.120 -0.003 0.000 0.302 577 V C -0.261 175.601 176.094 -0.387 0.000 1.035 577 V CA -0.858 61.326 62.300 -0.193 0.000 0.873 577 V CB 1.882 33.508 31.823 -0.328 0.000 0.992 577 V HN 0.859 nan 8.190 nan 0.000 0.428 578 M N 4.389 123.751 119.600 -0.398 0.000 2.157 578 M HA 0.499 4.977 4.480 -0.003 0.000 0.354 578 M C -1.271 174.711 176.300 -0.530 0.000 1.170 578 M CA -0.294 54.802 55.300 -0.340 0.000 1.060 578 M CB 1.052 33.617 32.600 -0.060 0.000 1.615 578 M HN 0.581 nan 8.290 nan 0.000 0.460 579 Y N 1.056 121.117 120.300 -0.399 0.000 2.335 579 Y HA 0.355 4.903 4.550 -0.003 0.000 0.338 579 Y C 0.363 176.042 175.900 -0.368 0.000 0.977 579 Y CA -0.928 56.941 58.100 -0.384 0.000 1.114 579 Y CB 1.175 39.227 38.460 -0.680 0.000 1.182 579 Y HN 0.516 nan 8.280 nan 0.000 0.463 580 E N 2.516 122.736 120.200 0.033 0.000 2.259 580 E HA 0.209 4.557 4.350 -0.003 0.000 0.281 580 E C -0.177 176.363 176.600 -0.101 0.000 1.027 580 E CA -0.072 56.326 56.400 -0.004 0.000 0.838 580 E CB 1.028 30.775 29.700 0.079 0.000 1.066 580 E HN 0.669 nan 8.360 nan 0.000 0.401 581 I N 3.089 123.479 120.570 -0.300 0.000 3.419 581 I HA 0.022 4.190 4.170 -0.003 0.000 0.286 581 I C 0.838 176.835 176.117 -0.199 0.000 1.268 581 I CA 0.378 61.284 61.300 -0.657 0.000 1.414 581 I CB -0.219 37.533 38.000 -0.413 0.000 1.074 581 I HN 0.662 nan 8.210 nan 0.000 0.457 582 Q N 1.272 121.076 119.800 0.006 0.000 2.308 582 Q HA -0.146 4.192 4.340 -0.003 0.000 0.313 582 Q C 0.041 176.175 176.000 0.224 0.000 1.075 582 Q CA 1.032 56.889 55.803 0.090 0.000 0.995 582 Q CB 0.193 28.968 28.738 0.060 0.000 1.107 582 Q HN 0.376 nan 8.270 nan 0.000 0.380 583 D N 2.287 122.787 120.400 0.166 0.000 2.946 583 D HA -0.230 4.408 4.640 -0.003 0.000 0.202 583 D C -0.050 176.374 176.300 0.207 0.000 1.068 583 D CA 1.097 55.187 54.000 0.149 0.000 1.011 583 D CB -1.267 39.590 40.800 0.096 0.000 1.105 583 D HN 0.682 nan 8.370 nan 0.000 0.425 584 W N 1.222 122.500 121.300 -0.037 0.000 2.358 584 W HA 0.046 4.705 4.660 -0.003 0.000 0.303 584 W C 2.563 178.966 176.519 -0.193 0.000 1.208 584 W CA 0.877 58.150 57.345 -0.120 0.000 1.274 584 W CB -0.937 28.490 29.460 -0.055 0.000 1.138 584 W HN 0.170 nan 8.180 nan 0.000 0.515 585 L N -0.241 121.050 121.223 0.114 0.000 2.012 585 L HA -0.222 4.116 4.340 -0.003 0.000 0.210 585 L C 2.508 179.366 176.870 -0.020 0.000 1.073 585 L CA 1.324 56.180 54.840 0.027 0.000 0.748 585 L CB -0.821 41.264 42.059 0.045 0.000 0.891 585 L HN -0.087 nan 8.230 nan 0.000 0.431 586 E N 0.384 120.582 120.200 -0.003 0.000 2.072 586 E HA -0.161 4.187 4.350 -0.003 0.000 0.190 586 E C 2.139 178.709 176.600 -0.049 0.000 0.982 586 E CA 0.953 57.344 56.400 -0.014 0.000 0.803 586 E CB -0.111 29.592 29.700 0.004 0.000 0.755 586 E HN 0.438 nan 8.360 nan 0.000 0.453 587 K N 0.816 121.165 120.400 -0.085 0.000 2.063 587 K HA -0.169 4.149 4.320 -0.003 0.000 0.208 587 K C 2.047 178.504 176.600 -0.239 0.000 1.048 587 K CA 1.391 57.593 56.287 -0.142 0.000 0.928 587 K CB -0.155 32.231 32.500 -0.189 0.000 0.713 587 K HN -0.034 nan 8.250 nan 0.000 0.442 588 N N 1.105 119.569 118.700 -0.393 0.000 2.188 588 N HA -0.119 4.619 4.740 -0.003 0.000 0.184 588 N C 1.284 176.730 175.510 -0.108 0.000 1.018 588 N CA 1.379 54.217 53.050 -0.354 0.000 0.858 588 N CB 0.165 38.424 38.487 -0.381 0.000 0.989 588 N HN 0.102 nan 8.380 nan 0.000 0.426 589 K N -0.324 120.038 120.400 -0.062 0.000 2.167 589 K HA -0.068 4.250 4.320 -0.003 0.000 0.203 589 K C -0.153 176.453 176.600 0.010 0.000 1.052 589 K CA 0.601 56.891 56.287 0.004 0.000 0.956 589 K CB 0.009 32.520 32.500 0.018 0.000 0.735 589 K HN 0.104 nan 8.250 nan 0.000 0.451 590 D N 0.949 121.341 120.400 -0.013 0.000 2.735 590 D HA -0.097 4.541 4.640 -0.003 0.000 0.235 590 D C -2.450 173.839 176.300 -0.018 0.000 1.175 590 D CA 0.103 54.096 54.000 -0.010 0.000 0.683 590 D CB -0.185 40.613 40.800 -0.003 0.000 1.008 590 D HN 0.162 nan 8.370 nan 0.000 0.416 591 P HA 0.428 nan 4.420 nan 0.000 0.274 591 P C -0.670 176.621 177.300 -0.015 0.000 1.237 591 P CA -0.696 62.404 63.100 -0.000 0.000 0.793 591 P CB 1.175 32.888 31.700 0.022 0.000 0.977 592 L N 1.326 122.537 121.223 -0.020 0.000 2.562 592 L HA 0.248 4.586 4.340 -0.003 0.000 0.266 592 L C -0.541 176.337 176.870 0.014 0.000 0.949 592 L CA -0.488 54.347 54.840 -0.009 0.000 0.879 592 L CB 1.831 43.872 42.059 -0.030 0.000 1.278 592 L HN 0.226 nan 8.230 nan 0.000 0.404 593 Q N 3.548 123.366 119.800 0.029 0.000 2.286 593 Q HA 0.043 4.381 4.340 -0.003 0.000 0.290 593 Q C 0.598 176.630 176.000 0.053 0.000 1.049 593 Q CA 0.398 56.225 55.803 0.040 0.000 0.923 593 Q CB 1.019 29.778 28.738 0.035 0.000 1.183 593 Q HN 0.740 nan 8.270 nan 0.000 0.383 594 Q N 1.632 121.469 119.800 0.062 0.000 2.181 594 Q HA -0.197 4.141 4.340 -0.003 0.000 0.205 594 Q C 0.745 176.785 176.000 0.066 0.000 0.980 594 Q CA 1.208 57.054 55.803 0.072 0.000 0.862 594 Q CB 0.220 29.007 28.738 0.081 0.000 0.905 594 Q HN 0.544 nan 8.270 nan 0.000 0.429 595 D N 0.493 120.925 120.400 0.052 0.000 2.178 595 D HA -0.079 4.559 4.640 -0.003 0.000 0.202 595 D C 1.800 178.131 176.300 0.051 0.000 0.974 595 D CA 0.730 54.756 54.000 0.042 0.000 0.841 595 D CB -0.006 40.812 40.800 0.031 0.000 0.953 595 D HN 0.192 nan 8.370 nan 0.000 0.478 596 L N 0.565 121.828 121.223 0.068 0.000 2.056 596 L HA -0.129 4.209 4.340 -0.003 0.000 0.207 596 L C 2.290 179.217 176.870 0.095 0.000 1.078 596 L CA 1.068 55.967 54.840 0.097 0.000 0.749 596 L CB -0.275 41.830 42.059 0.076 0.000 0.901 596 L HN 0.006 nan 8.230 nan 0.000 0.433 597 E N 0.161 120.427 120.200 0.110 0.000 2.077 597 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 597 E C 2.347 178.985 176.600 0.063 0.000 0.989 597 E CA 1.098 57.599 56.400 0.168 0.000 0.800 597 E CB -0.151 29.682 29.700 0.222 0.000 0.746 597 E HN 0.439 nan 8.360 nan 0.000 0.452 598 L N 0.549 121.802 121.223 0.050 0.000 2.042 598 L HA -0.239 4.099 4.340 -0.003 0.000 0.210 598 L C 2.824 179.670 176.870 -0.041 0.000 1.076 598 L CA 0.817 55.666 54.840 0.015 0.000 0.749 598 L CB -0.531 41.538 42.059 0.018 0.000 0.893 598 L HN 0.382 nan 8.230 nan 0.000 0.432 599 C N 0.030 119.304 119.300 -0.044 0.000 2.413 599 C HA -0.232 4.226 4.460 -0.003 0.000 0.277 599 C C 2.676 177.482 174.990 -0.308 0.000 1.228 599 C CA 0.830 59.767 59.018 -0.135 0.000 1.731 599 C CB -0.873 26.820 27.740 -0.078 0.000 2.042 599 C HN 0.463 nan 8.230 nan 0.000 0.468 600 F N 1.021 120.673 119.950 -0.498 0.000 2.367 600 F HA 0.114 4.639 4.527 -0.003 0.000 0.298 600 F C 2.393 177.873 175.800 -0.534 0.000 1.094 600 F CA 1.226 58.760 58.000 -0.777 0.000 1.409 600 F CB -0.446 37.484 39.000 -1.782 0.000 1.064 600 F HN 0.209 nan 8.300 nan 0.000 0.528 601 K N -0.072 120.221 120.400 -0.177 0.000 2.211 601 K HA -0.181 4.137 4.320 -0.003 0.000 0.204 601 K C 0.703 177.276 176.600 -0.045 0.000 1.047 601 K CA 1.444 57.724 56.287 -0.012 0.000 0.935 601 K CB -0.172 32.354 32.500 0.043 0.000 0.728 601 K HN 0.119 nan 8.250 nan 0.000 0.452 602 D N 0.324 120.660 120.400 -0.106 0.000 2.325 602 D HA -0.010 4.628 4.640 -0.003 0.000 0.225 602 D C 0.049 176.275 176.300 -0.123 0.000 1.096 602 D CA 0.224 54.165 54.000 -0.099 0.000 0.844 602 D CB 0.196 40.934 40.800 -0.104 0.000 0.925 602 D HN -0.044 nan 8.370 nan 0.000 0.513 603 S N 0.040 115.650 115.700 -0.149 0.000 2.560 603 S HA 0.026 4.494 4.470 -0.003 0.000 0.284 603 S C 1.572 176.137 174.600 -0.058 0.000 1.327 603 S CA -0.196 57.925 58.200 -0.131 0.000 1.055 603 S CB 0.727 63.866 63.200 -0.103 0.000 0.868 603 S HN 0.211 nan 8.310 nan 0.000 0.506 604 S N 2.591 118.264 115.700 -0.045 0.000 2.561 604 S HA 0.021 4.489 4.470 -0.003 0.000 0.225 604 S C 0.428 175.026 174.600 -0.003 0.000 0.977 604 S CA -0.011 58.177 58.200 -0.020 0.000 0.926 604 S CB -0.218 62.971 63.200 -0.018 0.000 0.769 604 S HN 0.817 nan 8.310 nan 0.000 0.533 605 D N 1.298 121.703 120.400 0.008 0.000 2.277 605 D HA 0.207 4.845 4.640 -0.003 0.000 0.249 605 D C 0.279 176.577 176.300 -0.003 0.000 1.134 605 D CA -0.182 53.828 54.000 0.016 0.000 0.863 605 D CB 0.732 41.562 40.800 0.051 0.000 1.143 605 D HN 0.258 nan 8.370 nan 0.000 0.458 606 N N 1.786 120.478 118.700 -0.014 0.000 2.223 606 N HA -0.126 4.612 4.740 -0.003 0.000 0.185 606 N C 1.716 177.175 175.510 -0.084 0.000 1.016 606 N CA 0.565 53.601 53.050 -0.024 0.000 0.863 606 N CB 0.420 38.907 38.487 -0.001 0.000 0.983 606 N HN 0.216 nan 8.380 nan 0.000 0.429 607 V N 0.301 120.118 119.914 -0.162 0.000 2.346 607 V HA -0.114 4.004 4.120 -0.003 0.000 0.244 607 V C 2.221 178.134 176.094 -0.302 0.000 1.037 607 V CA 1.015 63.065 62.300 -0.416 0.000 1.029 607 V CB -0.330 31.116 31.823 -0.629 0.000 0.663 607 V HN 0.101 nan 8.190 nan 0.000 0.454 608 V N -0.068 119.792 119.914 -0.091 0.000 2.332 608 V HA -0.321 3.797 4.120 -0.003 0.000 0.248 608 V C 2.704 178.889 176.094 0.151 0.000 1.055 608 V CA 2.724 65.077 62.300 0.088 0.000 1.038 608 V CB -0.967 30.970 31.823 0.190 0.000 0.651 608 V HN 0.666 nan 8.190 nan 0.000 0.450 609 T N -0.486 114.106 114.554 0.063 0.000 2.759 609 T HA -0.214 4.134 4.350 -0.003 0.000 0.269 609 T C 2.136 176.879 174.700 0.072 0.000 1.042 609 T CA 2.093 64.240 62.100 0.079 0.000 1.140 609 T CB -0.132 68.754 68.868 0.031 0.000 0.864 609 T HN 0.476 nan 8.240 nan 0.000 0.455 610 K N 0.832 121.220 120.400 -0.019 0.000 2.057 610 K HA 0.180 4.498 4.320 -0.003 0.000 0.206 610 K C 2.381 178.950 176.600 -0.052 0.000 1.050 610 K CA 0.973 57.240 56.287 -0.033 0.000 0.935 610 K CB -0.875 31.577 32.500 -0.081 0.000 0.715 610 K HN 0.548 nan 8.250 nan 0.000 0.439 611 L N -1.073 120.080 121.223 -0.117 0.000 2.127 611 L HA -0.081 4.257 4.340 -0.003 0.000 0.211 611 L C 2.080 178.736 176.870 -0.358 0.000 1.089 611 L CA 1.606 56.313 54.840 -0.221 0.000 0.757 611 L CB -0.456 41.457 42.059 -0.244 0.000 0.899 611 L HN 0.220 nan 8.230 nan 0.000 0.434 612 F N -1.103 118.818 119.950 -0.048 0.000 2.717 612 F HA 0.089 4.614 4.527 -0.003 0.000 0.295 612 F C 2.103 177.897 175.800 -0.010 0.000 1.117 612 F CA 0.237 58.223 58.000 -0.024 0.000 1.361 612 F CB 0.018 39.025 39.000 0.012 0.000 1.112 612 F HN 0.053 nan 8.300 nan 0.000 0.594 613 N N -0.899 117.874 118.700 0.123 0.000 2.332 613 N HA -0.030 4.708 4.740 -0.003 0.000 0.190 613 N C -0.136 175.399 175.510 0.042 0.000 1.117 613 N CA 0.311 53.409 53.050 0.080 0.000 0.883 613 N CB 0.245 38.777 38.487 0.075 0.000 1.089 613 N HN 0.067 nan 8.380 nan 0.000 0.480 614 D N 3.094 123.509 120.400 0.025 0.000 2.336 614 D HA 0.097 4.735 4.640 -0.003 0.000 0.249 614 D C -1.439 174.861 176.300 0.001 0.000 1.213 614 D CA -1.984 52.028 54.000 0.020 0.000 0.870 614 D CB 1.518 42.341 40.800 0.038 0.000 1.076 614 D HN 0.053 nan 8.370 nan 0.000 0.483 615 P HA -0.140 nan 4.420 nan 0.000 0.219 615 P C 0.758 178.054 177.300 -0.007 0.000 1.146 615 P CA 0.718 63.819 63.100 0.003 0.000 0.808 615 P CB 0.402 32.111 31.700 0.014 0.000 0.779 616 N N -0.306 118.390 118.700 -0.006 0.000 2.381 616 N HA -0.031 4.707 4.740 -0.003 0.000 0.182 616 N C 1.828 177.325 175.510 -0.022 0.000 1.025 616 N CA 0.951 53.993 53.050 -0.013 0.000 0.888 616 N CB -0.201 38.278 38.487 -0.014 0.000 0.965 616 N HN 0.326 nan 8.380 nan 0.000 0.438 617 I N -0.410 120.143 120.570 -0.028 0.000 3.172 617 I HA 0.089 4.257 4.170 -0.003 0.000 0.278 617 I C 1.934 177.987 176.117 -0.107 0.000 1.174 617 I CA 0.296 61.565 61.300 -0.053 0.000 1.445 617 I CB 0.137 38.119 38.000 -0.030 0.000 1.175 617 I HN -0.051 nan 8.210 nan 0.000 0.447 618 A N 0.177 122.931 122.820 -0.109 0.000 2.085 618 A HA 0.437 4.755 4.320 -0.003 0.000 0.208 618 A C 1.474 178.992 177.584 -0.110 0.000 1.191 618 A CA 0.587 52.529 52.037 -0.158 0.000 0.799 618 A CB -0.464 18.451 19.000 -0.142 0.000 0.877 618 A HN 0.341 nan 8.150 nan 0.000 0.473 619 S N -0.055 115.611 115.700 -0.056 0.000 2.601 619 S HA 0.620 5.088 4.470 -0.003 0.000 0.271 619 S C 0.206 174.784 174.600 -0.036 0.000 1.305 619 S CA -0.325 57.861 58.200 -0.023 0.000 1.022 619 S CB 0.321 63.533 63.200 0.021 0.000 0.940 619 S HN 0.474 nan 8.310 nan 0.000 0.525 620 R N 0.985 121.472 120.500 -0.021 0.000 2.561 620 R HA 0.626 4.964 4.340 -0.003 0.000 0.297 620 R C -0.242 176.175 176.300 0.195 0.000 0.969 620 R CA -0.581 55.522 56.100 0.003 0.000 0.879 620 R CB 1.412 31.582 30.300 -0.217 0.000 1.178 620 R HN 0.851 nan 8.270 nan 0.000 0.445 621 A N 2.465 125.381 122.820 0.159 0.000 2.483 621 A HA 0.412 4.730 4.320 -0.003 0.000 0.238 621 A C -0.070 177.653 177.584 0.231 0.000 1.070 621 A CA 0.096 52.230 52.037 0.162 0.000 0.770 621 A CB 0.178 19.241 19.000 0.105 0.000 1.008 621 A HN 0.821 nan 8.150 nan 0.000 0.497 622 K N 0.288 120.767 120.400 0.132 0.000 2.110 622 K HA 0.701 5.019 4.320 -0.003 0.000 0.263 622 K C -0.146 176.475 176.600 0.035 0.000 0.975 622 K CA -0.089 56.223 56.287 0.041 0.000 0.895 622 K CB 0.708 33.175 32.500 -0.054 0.000 1.060 622 K HN 1.661 nan 8.250 nan 0.000 0.448 623 K N 1.006 121.417 120.400 0.019 0.000 2.521 623 K HA 0.667 4.985 4.320 -0.003 0.000 0.248 623 K C 1.100 177.696 176.600 -0.006 0.000 0.978 623 K CA 0.082 56.381 56.287 0.019 0.000 0.947 623 K CB 0.111 32.635 32.500 0.040 0.000 1.165 623 K HN 2.335 nan 8.250 nan 0.000 0.445 624 G N 1.291 110.085 108.800 -0.011 0.000 2.629 624 G HA2 -0.076 3.882 3.960 -0.003 0.000 0.313 624 G HA3 -0.076 3.882 3.960 -0.003 0.000 0.313 624 G C 1.310 176.177 174.900 -0.054 0.000 1.217 624 G CA 1.189 46.275 45.100 -0.023 0.000 0.994 624 G HN 2.037 nan 8.290 nan 0.000 0.549 625 A N 0.536 123.321 122.820 -0.059 0.000 2.460 625 A HA 0.527 4.845 4.320 -0.003 0.000 0.258 625 A C 0.668 178.171 177.584 -0.135 0.000 1.300 625 A CA 0.567 52.548 52.037 -0.093 0.000 0.913 625 A CB -0.195 nan 19.000 nan 0.000 1.031 625 A HN 0.544 nan 8.150 nan 0.000 0.512 626 N N -0.875 117.749 118.700 -0.126 0.000 2.229 626 N HA 0.462 5.200 4.740 -0.003 0.000 0.298 626 N C -1.306 174.130 175.510 -0.124 0.000 1.114 626 N CA -0.418 52.560 53.050 -0.121 0.000 0.776 626 N CB 1.131 39.610 38.487 -0.013 0.000 1.501 626 N HN 0.064 nan 8.380 nan 0.000 0.474 627 F N 1.010 120.972 119.950 0.020 0.000 2.545 627 F HA 0.200 4.725 4.527 -0.003 0.000 0.348 627 F C 1.591 177.407 175.800 0.026 0.000 1.163 627 F CA -0.296 57.717 58.000 0.022 0.000 1.331 627 F CB 0.378 39.390 39.000 0.020 0.000 1.138 627 F HN 0.305 nan 8.300 nan 0.000 0.602 628 I N 2.469 123.193 120.570 0.258 0.000 2.710 628 I HA 0.008 4.176 4.170 -0.003 0.000 0.286 628 I C 0.657 176.860 176.117 0.144 0.000 1.181 628 I CA -0.052 61.343 61.300 0.157 0.000 1.430 628 I CB 0.338 38.416 38.000 0.131 0.000 1.367 628 I HN 0.766 nan 8.210 nan 0.000 0.577 629 T N 3.569 118.192 114.554 0.115 0.000 2.849 629 T HA 0.180 4.528 4.350 -0.003 0.000 0.284 629 T C 1.306 176.075 174.700 0.116 0.000 1.004 629 T CA -0.804 61.352 62.100 0.094 0.000 1.021 629 T CB 1.522 70.430 68.868 0.067 0.000 1.013 629 T HN 0.425 nan 8.240 nan 0.000 0.527 630 V N 1.715 121.696 119.914 0.111 0.000 2.332 630 V HA -0.172 3.946 4.120 -0.003 0.000 0.248 630 V C 3.111 179.387 176.094 0.303 0.000 1.055 630 V CA 2.320 64.743 62.300 0.205 0.000 1.038 630 V CB -1.725 30.249 31.823 0.252 0.000 0.651 630 V HN 1.090 nan 8.190 nan 0.000 0.450 631 A N -0.028 122.973 122.820 0.302 0.000 1.908 631 A HA -0.143 4.175 4.320 -0.003 0.000 0.218 631 A C 2.406 180.157 177.584 0.278 0.000 1.181 631 A CA 2.252 54.490 52.037 0.335 0.000 0.627 631 A CB -0.723 18.425 19.000 0.246 0.000 0.818 631 A HN 0.594 nan 8.150 nan 0.000 0.445 632 A N -0.915 122.021 122.820 0.194 0.000 1.897 632 A HA -0.137 4.181 4.320 -0.003 0.000 0.215 632 A C 2.110 179.786 177.584 0.153 0.000 1.181 632 A CA 1.464 53.594 52.037 0.156 0.000 0.620 632 A CB -0.507 18.562 19.000 0.115 0.000 0.821 632 A HN 0.640 nan 8.150 nan 0.000 0.443 633 Q N -1.718 118.179 119.800 0.163 0.000 2.061 633 Q HA -0.230 4.108 4.340 -0.003 0.000 0.204 633 Q C 2.015 178.105 176.000 0.151 0.000 0.984 633 Q CA 1.928 57.818 55.803 0.143 0.000 0.846 633 Q CB -0.456 28.370 28.738 0.147 0.000 0.902 633 Q HN 0.828 nan 8.270 nan 0.000 0.421 634 Y N 1.784 122.150 120.300 0.110 0.000 2.081 634 Y HA -0.337 4.211 4.550 -0.003 0.000 0.280 634 Y C 2.518 178.468 175.900 0.085 0.000 1.163 634 Y CA 2.055 60.210 58.100 0.093 0.000 1.135 634 Y CB -0.308 38.200 38.460 0.079 0.000 0.970 634 Y HN -0.208 nan 8.280 nan 0.000 0.498 635 K N 0.437 120.923 120.400 0.143 0.000 2.063 635 K HA -0.214 4.104 4.320 -0.003 0.000 0.208 635 K C 1.945 178.518 176.600 -0.044 0.000 1.048 635 K CA 1.893 58.220 56.287 0.067 0.000 0.928 635 K CB -0.580 32.026 32.500 0.177 0.000 0.713 635 K HN 0.677 nan 8.250 nan 0.000 0.442 636 E N 0.250 120.450 120.200 -0.001 0.000 2.058 636 E HA -0.234 4.114 4.350 -0.003 0.000 0.194 636 E C 2.498 179.071 176.600 -0.045 0.000 0.997 636 E CA 1.499 57.897 56.400 -0.004 0.000 0.801 636 E CB -0.146 29.572 29.700 0.031 0.000 0.746 636 E HN 0.506 nan 8.360 nan 0.000 0.450 637 Q N 0.283 120.045 119.800 -0.064 0.000 2.084 637 Q HA -0.179 4.159 4.340 -0.003 0.000 0.202 637 Q C 2.356 178.227 176.000 -0.215 0.000 0.978 637 Q CA 0.976 56.760 55.803 -0.032 0.000 0.844 637 Q CB -0.136 28.650 28.738 0.079 0.000 0.898 637 Q HN 0.172 nan 8.270 nan 0.000 0.426 638 L N 0.517 121.490 121.223 -0.417 0.000 2.056 638 L HA -0.096 4.242 4.340 -0.003 0.000 0.207 638 L C 2.168 178.877 176.870 -0.269 0.000 1.078 638 L CA 1.882 56.440 54.840 -0.470 0.000 0.749 638 L CB -0.655 41.050 42.059 -0.590 0.000 0.901 638 L HN 0.116 nan 8.230 nan 0.000 0.433 639 A N -1.545 121.177 122.820 -0.163 0.000 1.902 639 A HA -0.246 4.072 4.320 -0.003 0.000 0.217 639 A C 2.516 180.048 177.584 -0.088 0.000 1.181 639 A CA 1.969 53.953 52.037 -0.089 0.000 0.623 639 A CB -1.196 17.784 19.000 -0.033 0.000 0.818 639 A HN 0.528 nan 8.150 nan 0.000 0.443 640 S N -0.662 114.991 115.700 -0.078 0.000 2.353 640 S HA -0.189 4.279 4.470 -0.003 0.000 0.222 640 S C 1.967 176.504 174.600 -0.106 0.000 1.035 640 S CA 1.762 59.929 58.200 -0.055 0.000 1.025 640 S CB -0.504 62.694 63.200 -0.004 0.000 0.902 640 S HN 0.574 nan 8.310 nan 0.000 0.440 641 L N 1.681 122.803 121.223 -0.169 0.000 1.994 641 L HA -0.013 4.325 4.340 -0.003 0.000 0.208 641 L C 2.250 178.923 176.870 -0.328 0.000 1.071 641 L CA 2.082 56.740 54.840 -0.304 0.000 0.745 641 L CB -0.849 40.945 42.059 -0.441 0.000 0.892 641 L HN 0.299 nan 8.230 nan 0.000 0.431 642 M N -0.341 119.100 119.600 -0.265 0.000 2.159 642 M HA -0.118 4.360 4.480 -0.003 0.000 0.263 642 M C 2.416 178.651 176.300 -0.109 0.000 1.063 642 M CA 1.702 56.874 55.300 -0.214 0.000 1.110 642 M CB -1.918 30.600 32.600 -0.136 0.000 1.374 642 M HN 0.471 nan 8.290 nan 0.000 0.411 643 A N -0.173 122.599 122.820 -0.080 0.000 1.902 643 A HA -0.132 4.186 4.320 -0.003 0.000 0.217 643 A C 2.360 179.937 177.584 -0.011 0.000 1.181 643 A CA 2.226 54.250 52.037 -0.022 0.000 0.623 643 A CB -1.108 17.883 19.000 -0.016 0.000 0.818 643 A HN 0.470 nan 8.150 nan 0.000 0.443 644 T N 0.637 115.151 114.554 -0.067 0.000 2.746 644 T HA -0.091 4.257 4.350 -0.003 0.000 0.267 644 T C 1.798 176.506 174.700 0.013 0.000 1.039 644 T CA 1.451 63.537 62.100 -0.024 0.000 1.142 644 T CB -0.404 68.378 68.868 -0.143 0.000 0.866 644 T HN 0.370 nan 8.240 nan 0.000 0.444 645 L N 1.040 122.181 121.223 -0.138 0.000 2.083 645 L HA -0.118 4.220 4.340 -0.003 0.000 0.209 645 L C 2.920 179.864 176.870 0.122 0.000 1.083 645 L CA 1.214 55.985 54.840 -0.115 0.000 0.752 645 L CB -0.655 41.099 42.059 -0.509 0.000 0.899 645 L HN 0.205 nan 8.230 nan 0.000 0.433 646 E N -0.638 119.660 120.200 0.163 0.000 2.338 646 E HA -0.145 4.203 4.350 -0.003 0.000 0.197 646 E C 2.050 178.754 176.600 0.173 0.000 1.007 646 E CA 1.130 57.678 56.400 0.247 0.000 0.849 646 E CB -0.437 29.383 29.700 0.200 0.000 0.774 646 E HN 0.739 nan 8.360 nan 0.000 0.506 647 T N -1.719 112.920 114.554 0.142 0.000 3.107 647 T HA 0.029 4.377 4.350 -0.003 0.000 0.249 647 T C 0.962 175.720 174.700 0.097 0.000 1.096 647 T CA 0.531 62.706 62.100 0.125 0.000 1.012 647 T CB -0.145 68.812 68.868 0.148 0.000 0.977 647 T HN 0.343 nan 8.240 nan 0.000 0.527 648 T N -0.182 114.432 114.554 0.100 0.000 2.942 648 T HA 0.544 4.892 4.350 -0.003 0.000 0.289 648 T C -0.644 174.064 174.700 0.014 0.000 1.044 648 T CA -1.026 61.091 62.100 0.029 0.000 1.023 648 T CB 1.465 70.369 68.868 0.061 0.000 1.123 648 T HN 0.071 nan 8.240 nan 0.000 0.512 649 N N 2.808 121.481 118.700 -0.044 0.000 2.408 649 N HA 0.398 5.136 4.740 -0.003 0.000 0.257 649 N C -2.515 172.862 175.510 -0.222 0.000 1.064 649 N CA -1.860 51.120 53.050 -0.117 0.000 0.952 649 N CB 0.779 39.196 38.487 -0.116 0.000 1.093 649 N HN 0.409 nan 8.380 nan 0.000 0.490 650 P HA 0.216 nan 4.420 nan 0.000 0.286 650 P C -1.227 175.676 177.300 -0.661 0.000 1.261 650 P CA -0.095 62.748 63.100 -0.430 0.000 0.821 650 P CB 1.080 32.491 31.700 -0.483 0.000 1.013 651 H N 1.935 120.810 119.070 -0.325 0.000 2.589 651 H HA 0.372 4.926 4.556 -0.003 0.000 0.351 651 H C -0.653 174.532 175.328 -0.239 0.000 1.074 651 H CA -0.291 55.665 56.048 -0.154 0.000 1.203 651 H CB 0.986 30.731 29.762 -0.027 0.000 1.558 651 H HN 0.315 nan 8.280 nan 0.000 0.522 652 F N 1.528 121.635 119.950 0.262 0.000 2.443 652 F HA 0.356 4.881 4.527 -0.003 0.000 0.335 652 F C 0.245 176.196 175.800 0.252 0.000 1.104 652 F CA -0.807 57.333 58.000 0.233 0.000 1.013 652 F CB 1.702 40.846 39.000 0.239 0.000 1.136 652 F HN 0.120 nan 8.300 nan 0.000 0.470 653 V N 4.368 124.491 119.914 0.347 0.000 2.444 653 V HA 0.508 4.626 4.120 -0.003 0.000 0.294 653 V C -0.563 175.654 176.094 0.205 0.000 1.022 653 V CA -1.016 61.444 62.300 0.267 0.000 0.850 653 V CB 1.685 33.613 31.823 0.175 0.000 0.992 653 V HN 0.528 nan 8.190 nan 0.000 0.426 654 R N 2.852 123.467 120.500 0.192 0.000 2.233 654 R HA 0.429 4.767 4.340 -0.003 0.000 0.334 654 R C -0.670 175.679 176.300 0.082 0.000 1.037 654 R CA -0.381 55.771 56.100 0.086 0.000 0.920 654 R CB 0.680 31.002 30.300 0.038 0.000 1.137 654 R HN 0.623 nan 8.270 nan 0.000 0.492 655 C N 3.929 123.264 119.300 0.058 0.000 2.601 655 C HA 0.482 4.940 4.460 -0.003 0.000 0.409 655 C C 0.638 175.631 174.990 0.004 0.000 1.293 655 C CA -0.449 58.587 59.018 0.030 0.000 2.101 655 C CB -0.113 27.638 27.740 0.019 0.000 2.639 655 C HN 0.574 nan 8.230 nan 0.000 0.592 656 I N 3.830 124.387 120.570 -0.020 0.000 2.466 656 I HA 0.409 4.577 4.170 -0.003 0.000 0.289 656 I C -0.047 176.038 176.117 -0.053 0.000 1.026 656 I CA -0.578 60.703 61.300 -0.031 0.000 1.078 656 I CB 1.408 39.388 38.000 -0.032 0.000 1.249 656 I HN 0.635 nan 8.210 nan 0.000 0.429 657 I N 8.407 128.962 120.570 -0.025 0.000 2.396 657 I HA 0.273 4.442 4.170 -0.003 0.000 0.292 657 I C -1.199 174.926 176.117 0.014 0.000 0.999 657 I CA -1.823 59.487 61.300 0.016 0.000 1.310 657 I CB 2.205 40.259 38.000 0.091 0.000 1.404 657 I HN 0.360 nan 8.210 nan 0.000 0.496 658 P HA 0.004 nan 4.420 nan 0.000 0.227 658 P C -0.989 176.327 177.300 0.028 0.000 1.161 658 P CA 0.888 63.969 63.100 -0.032 0.000 0.788 658 P CB 0.016 31.691 31.700 -0.042 0.000 0.822 659 N N -2.228 116.528 118.700 0.095 0.000 3.261 659 N HA 0.113 4.851 4.740 -0.003 0.000 0.248 659 N C -0.606 174.931 175.510 0.045 0.000 1.498 659 N CA -0.768 52.309 53.050 0.044 0.000 0.884 659 N CB -0.601 37.905 38.487 0.031 0.000 1.428 659 N HN -0.383 nan 8.380 nan 0.000 0.517 660 N N -0.705 117.993 118.700 -0.004 0.000 2.321 660 N HA 0.203 4.941 4.740 -0.003 0.000 0.242 660 N C -0.503 174.973 175.510 -0.058 0.000 1.141 660 N CA 0.045 53.088 53.050 -0.012 0.000 0.864 660 N CB 0.499 38.978 38.487 -0.013 0.000 1.100 660 N HN 0.524 nan 8.380 nan 0.000 0.510 661 K N 0.196 120.528 120.400 -0.115 0.000 2.402 661 K HA 0.178 4.496 4.320 -0.003 0.000 0.204 661 K C -0.149 176.249 176.600 -0.337 0.000 1.056 661 K CA -0.070 56.117 56.287 -0.166 0.000 1.069 661 K CB 0.779 33.210 32.500 -0.116 0.000 0.888 661 K HN -0.007 nan 8.250 nan 0.000 0.546 662 Q N 0.928 120.350 119.800 -0.630 0.000 2.453 662 Q HA -0.190 4.148 4.340 -0.003 0.000 0.294 662 Q C -0.928 174.393 176.000 -1.133 0.000 1.295 662 Q CA 0.537 55.473 55.803 -1.444 0.000 0.853 662 Q CB -1.565 26.724 28.738 -0.750 0.000 1.193 662 Q HN 0.353 nan 8.270 nan 0.000 0.461 663 L N 0.394 121.214 121.223 -0.672 0.000 2.342 663 L HA 0.644 4.982 4.340 -0.003 0.000 0.271 663 L C -1.995 174.921 176.870 0.076 0.000 1.008 663 L CA -2.295 52.419 54.840 -0.209 0.000 0.818 663 L CB 1.469 43.466 42.059 -0.103 0.000 1.296 663 L HN -0.108 nan 8.230 nan 0.000 0.427 664 P HA 0.183 nan 4.420 nan 0.000 0.278 664 P C -0.170 177.229 177.300 0.165 0.000 1.258 664 P CA -0.147 63.080 63.100 0.211 0.000 0.811 664 P CB 1.155 32.929 31.700 0.123 0.000 1.063 665 A N -0.010 122.923 122.820 0.189 0.000 2.822 665 A HA -0.216 4.102 4.320 -0.003 0.000 0.287 665 A C 0.445 178.139 177.584 0.183 0.000 1.479 665 A CA 1.468 53.601 52.037 0.160 0.000 0.779 665 A CB -2.674 16.361 19.000 0.058 0.000 1.022 665 A HN 0.655 nan 8.150 nan 0.000 0.532 666 K N -0.439 120.106 120.400 0.241 0.000 3.157 666 K HA 0.456 4.774 4.320 -0.003 0.000 0.173 666 K C -0.699 175.970 176.600 0.116 0.000 1.127 666 K CA -0.700 55.672 56.287 0.142 0.000 0.849 666 K CB 0.174 32.727 32.500 0.089 0.000 1.038 666 K HN 0.383 nan 8.250 nan 0.000 0.603 667 L N 2.810 124.094 121.223 0.102 0.000 2.369 667 L HA 0.204 4.542 4.340 -0.003 0.000 0.279 667 L C -0.560 176.373 176.870 0.104 0.000 1.108 667 L CA 0.680 55.528 54.840 0.013 0.000 0.852 667 L CB 0.667 42.684 42.059 -0.070 0.000 1.169 667 L HN 0.352 nan 8.230 nan 0.000 0.452 668 E N 3.583 123.815 120.200 0.054 0.000 2.109 668 E HA 0.121 4.469 4.350 -0.003 0.000 0.278 668 E C 0.014 176.555 176.600 -0.099 0.000 0.954 668 E CA -0.571 55.836 56.400 0.012 0.000 0.779 668 E CB 1.062 30.751 29.700 -0.018 0.000 1.093 668 E HN 0.594 nan 8.360 nan 0.000 0.401 669 D N 2.674 122.989 120.400 -0.143 0.000 2.137 669 D HA -0.257 4.381 4.640 -0.003 0.000 0.189 669 D C 1.564 177.576 176.300 -0.480 0.000 0.998 669 D CA 1.552 55.243 54.000 -0.514 0.000 0.839 669 D CB 0.080 40.744 40.800 -0.227 0.000 0.962 669 D HN 0.333 nan 8.370 nan 0.000 0.446 670 K N 0.484 120.727 120.400 -0.262 0.000 2.155 670 K HA -0.052 4.266 4.320 -0.003 0.000 0.203 670 K C 2.032 178.517 176.600 -0.191 0.000 1.052 670 K CA 0.396 56.554 56.287 -0.215 0.000 0.948 670 K CB 0.067 32.480 32.500 -0.145 0.000 0.728 670 K HN -0.052 nan 8.250 nan 0.000 0.448 671 V N 0.781 120.598 119.914 -0.162 0.000 2.287 671 V HA -0.257 3.861 4.120 -0.003 0.000 0.248 671 V C 2.286 178.290 176.094 -0.149 0.000 1.053 671 V CA 1.674 63.900 62.300 -0.124 0.000 1.027 671 V CB -0.238 31.538 31.823 -0.077 0.000 0.646 671 V HN 0.150 nan 8.190 nan 0.000 0.447 672 V N -0.526 119.264 119.914 -0.206 0.000 2.307 672 V HA -0.209 3.909 4.120 -0.003 0.000 0.245 672 V C 2.285 178.248 176.094 -0.218 0.000 1.045 672 V CA 1.807 63.993 62.300 -0.190 0.000 1.024 672 V CB -0.501 31.233 31.823 -0.149 0.000 0.651 672 V HN 0.426 nan 8.190 nan 0.000 0.449 673 L N -0.205 120.813 121.223 -0.342 0.000 2.083 673 L HA -0.197 4.141 4.340 -0.003 0.000 0.209 673 L C 2.346 179.131 176.870 -0.142 0.000 1.083 673 L CA 1.461 56.155 54.840 -0.243 0.000 0.752 673 L CB -0.669 41.227 42.059 -0.273 0.000 0.899 673 L HN 0.329 nan 8.230 nan 0.000 0.433 674 D N -0.280 120.033 120.400 -0.146 0.000 2.123 674 D HA -0.205 4.433 4.640 -0.003 0.000 0.196 674 D C 2.321 178.549 176.300 -0.119 0.000 0.992 674 D CA 1.230 55.155 54.000 -0.124 0.000 0.833 674 D CB -0.049 40.671 40.800 -0.133 0.000 0.954 674 D HN 0.408 nan 8.370 nan 0.000 0.455 675 Q N -0.188 119.544 119.800 -0.113 0.000 2.079 675 Q HA -0.026 4.312 4.340 -0.003 0.000 0.200 675 Q C 2.552 178.520 176.000 -0.054 0.000 0.974 675 Q CA 0.620 56.368 55.803 -0.091 0.000 0.840 675 Q CB -0.057 28.637 28.738 -0.073 0.000 0.898 675 Q HN 0.300 nan 8.270 nan 0.000 0.430 676 L N 0.285 121.484 121.223 -0.040 0.000 2.042 676 L HA -0.231 4.107 4.340 -0.003 0.000 0.210 676 L C 2.559 179.436 176.870 0.013 0.000 1.076 676 L CA 1.325 56.167 54.840 0.002 0.000 0.749 676 L CB -0.471 41.596 42.059 0.013 0.000 0.893 676 L HN 0.201 nan 8.230 nan 0.000 0.432 677 R N -0.043 120.451 120.500 -0.009 0.000 2.075 677 R HA -0.185 4.153 4.340 -0.003 0.000 0.230 677 R C 2.576 178.888 176.300 0.020 0.000 1.140 677 R CA 2.013 58.117 56.100 0.007 0.000 0.928 677 R CB -0.756 29.536 30.300 -0.014 0.000 0.834 677 R HN 0.611 nan 8.270 nan 0.000 0.429 678 C N -0.191 119.104 119.300 -0.008 0.000 2.448 678 C HA 0.089 4.547 4.460 -0.003 0.000 0.280 678 C C 1.799 176.862 174.990 0.121 0.000 1.398 678 C CA 0.159 59.203 59.018 0.043 0.000 1.774 678 C CB -1.241 26.444 27.740 -0.092 0.000 1.888 678 C HN 0.411 nan 8.230 nan 0.000 0.519 679 N N 1.180 119.896 118.700 0.026 0.000 2.459 679 N HA 0.130 4.868 4.740 -0.003 0.000 0.181 679 N C 1.428 176.853 175.510 -0.141 0.000 1.046 679 N CA 0.868 53.863 53.050 -0.092 0.000 0.904 679 N CB -0.235 38.162 38.487 -0.150 0.000 0.964 679 N HN 0.809 nan 8.380 nan 0.000 0.444 680 G N 0.642 109.467 108.800 0.042 0.000 2.160 680 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.244 680 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.244 680 G C 0.800 175.855 174.900 0.258 0.000 1.022 680 G CA 0.274 45.491 45.100 0.195 0.000 0.741 680 G HN 0.164 nan 8.290 nan 0.000 0.508 681 V N -0.320 119.700 119.914 0.177 0.000 2.295 681 V HA -0.168 3.950 4.120 -0.003 0.000 0.246 681 V C 2.883 179.199 176.094 0.370 0.000 1.049 681 V CA 2.411 64.913 62.300 0.337 0.000 1.024 681 V CB -0.453 31.519 31.823 0.249 0.000 0.648 681 V HN 0.405 nan 8.190 nan 0.000 0.447 682 L N -0.331 121.034 121.223 0.237 0.000 2.093 682 L HA -0.140 4.198 4.340 -0.003 0.000 0.208 682 L C 2.424 179.440 176.870 0.244 0.000 1.085 682 L CA 1.652 56.613 54.840 0.201 0.000 0.755 682 L CB -0.731 41.411 42.059 0.138 0.000 0.904 682 L HN 0.295 nan 8.230 nan 0.000 0.435 683 E N -0.316 120.038 120.200 0.257 0.000 2.085 683 E HA -0.171 4.177 4.350 -0.003 0.000 0.194 683 E C 2.300 179.115 176.600 0.359 0.000 0.994 683 E CA 1.290 57.833 56.400 0.239 0.000 0.801 683 E CB -0.728 28.966 29.700 -0.010 0.000 0.743 683 E HN 0.454 nan 8.360 nan 0.000 0.453 684 G N 0.565 109.703 108.800 0.563 0.000 2.422 684 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.218 684 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.218 684 G C 1.611 176.764 174.900 0.422 0.000 1.146 684 G CA 0.799 46.229 45.100 0.550 0.000 0.769 684 G HN 0.174 nan 8.290 nan 0.000 0.547 685 I N 0.024 120.795 120.570 0.335 0.000 2.202 685 I HA -0.131 4.037 4.170 -0.003 0.000 0.242 685 I C 3.036 179.252 176.117 0.166 0.000 1.091 685 I CA 0.879 62.277 61.300 0.164 0.000 1.368 685 I CB -0.203 37.865 38.000 0.113 0.000 1.058 685 I HN 0.076 nan 8.210 nan 0.000 0.410 686 R N 0.312 120.945 120.500 0.222 0.000 2.081 686 R HA -0.179 4.159 4.340 -0.003 0.000 0.235 686 R C 2.362 178.840 176.300 0.297 0.000 1.131 686 R CA 1.511 57.767 56.100 0.259 0.000 0.960 686 R CB -0.525 29.986 30.300 0.352 0.000 0.856 686 R HN 0.279 nan 8.270 nan 0.000 0.436 687 I N 0.866 121.595 120.570 0.266 0.000 2.315 687 I HA -0.226 3.942 4.170 -0.003 0.000 0.248 687 I C 1.740 177.954 176.117 0.162 0.000 1.117 687 I CA 1.635 63.086 61.300 0.251 0.000 1.404 687 I CB -0.153 37.871 38.000 0.039 0.000 1.071 687 I HN 0.078 nan 8.210 nan 0.000 0.419 688 T N 0.440 115.058 114.554 0.107 0.000 2.652 688 T HA -0.231 4.117 4.350 -0.003 0.000 0.267 688 T C 2.090 176.812 174.700 0.037 0.000 1.039 688 T CA 1.900 64.034 62.100 0.057 0.000 1.153 688 T CB -0.256 68.638 68.868 0.042 0.000 0.863 688 T HN 0.339 nan 8.240 nan 0.000 0.428 689 R N 0.588 121.124 120.500 0.060 0.000 2.073 689 R HA 0.096 4.434 4.340 -0.003 0.000 0.229 689 R C 2.504 178.814 176.300 0.017 0.000 1.120 689 R CA 1.061 57.180 56.100 0.032 0.000 0.967 689 R CB -0.022 30.309 30.300 0.052 0.000 0.862 689 R HN 0.271 nan 8.270 nan 0.000 0.436 690 K N -0.395 120.072 120.400 0.111 0.000 2.365 690 K HA 0.069 4.387 4.320 -0.003 0.000 0.197 690 K C 0.988 177.683 176.600 0.158 0.000 1.042 690 K CA 0.552 56.936 56.287 0.162 0.000 0.987 690 K CB 0.661 33.347 32.500 0.310 0.000 0.779 690 K HN 0.177 nan 8.250 nan 0.000 0.484 691 G N -0.159 108.651 108.800 0.017 0.000 2.857 691 G HA2 0.474 4.432 3.960 -0.003 0.000 0.217 691 G HA3 0.474 4.432 3.960 -0.003 0.000 0.217 691 G C -0.918 173.588 174.900 -0.655 0.000 1.357 691 G CA -0.622 44.360 45.100 -0.197 0.000 1.033 691 G HN 0.053 nan 8.290 nan 0.000 0.571 692 F N -0.098 119.808 119.950 -0.074 0.000 2.809 692 F HA 0.364 4.889 4.527 -0.003 0.000 0.369 692 F C -1.857 174.044 175.800 0.168 0.000 1.225 692 F CA -1.422 56.579 58.000 0.002 0.000 1.201 692 F CB 2.448 41.378 39.000 -0.117 0.000 1.527 692 F HN 0.174 nan 8.300 nan 0.000 0.565 693 P HA -0.122 nan 4.420 nan 0.000 0.219 693 P C -0.436 176.902 177.300 0.063 0.000 1.146 693 P CA 1.397 64.561 63.100 0.106 0.000 0.808 693 P CB 0.234 31.956 31.700 0.036 0.000 0.779 694 N N 0.763 119.494 118.700 0.053 0.000 2.314 694 N HA 0.276 5.014 4.740 -0.003 0.000 0.294 694 N C -0.408 174.986 175.510 -0.193 0.000 1.029 694 N CA -0.527 52.487 53.050 -0.059 0.000 0.845 694 N CB 2.221 40.682 38.487 -0.044 0.000 1.321 694 N HN 0.018 nan 8.380 nan 0.000 0.481 695 R N -0.292 119.997 120.500 -0.351 0.000 2.626 695 R HA 0.639 4.977 4.340 -0.003 0.000 0.274 695 R C -1.616 174.415 176.300 -0.448 0.000 1.031 695 R CA -0.628 55.090 56.100 -0.637 0.000 0.898 695 R CB 0.527 29.955 30.300 -1.454 0.000 1.222 695 R HN 0.230 nan 8.270 nan 0.000 0.455 696 I N 1.248 121.560 120.570 -0.429 0.000 2.534 696 I HA 0.487 4.655 4.170 -0.003 0.000 0.288 696 I C 1.168 177.079 176.117 -0.343 0.000 1.077 696 I CA -1.201 59.920 61.300 -0.298 0.000 1.051 696 I CB 1.303 39.184 38.000 -0.197 0.000 1.234 696 I HN 0.787 nan 8.210 nan 0.000 0.425 697 I N 4.328 124.749 120.570 -0.248 0.000 2.821 697 I HA 0.364 4.532 4.170 -0.003 0.000 0.294 697 I C 0.548 176.592 176.117 -0.123 0.000 1.210 697 I CA 0.285 61.465 61.300 -0.199 0.000 1.430 697 I CB -1.218 36.731 38.000 -0.086 0.000 1.356 697 I HN 0.664 nan 8.210 nan 0.000 0.563 737 Y N -0.225 120.199 120.300 0.206 0.000 2.615 737 Y HA 0.943 5.491 4.550 -0.003 0.000 0.341 737 Y C -0.780 175.100 175.900 -0.034 0.000 1.089 737 Y CA -1.536 56.617 58.100 0.088 0.000 1.049 737 Y CB 1.372 nan 38.460 nan 0.000 1.296 737 Y HN 0.265 nan 8.280 nan 0.000 0.470 738 R N 1.004 121.377 120.500 -0.212 0.000 2.566 738 R HA 0.492 4.830 4.340 -0.003 0.000 0.271 738 R C -2.367 173.798 176.300 -0.225 0.000 1.071 738 R CA -1.049 54.888 56.100 -0.272 0.000 0.915 738 R CB 1.377 31.283 30.300 -0.656 0.000 1.228 738 R HN 0.740 nan 8.270 nan 0.000 0.449 739 F N 0.975 120.947 119.950 0.037 0.000 2.371 739 F HA 0.470 4.995 4.527 -0.003 0.000 0.363 739 F C 1.419 177.305 175.800 0.143 0.000 1.122 739 F CA -0.047 58.062 58.000 0.181 0.000 1.129 739 F CB 1.581 40.670 39.000 0.147 0.000 1.173 739 F HN 0.551 nan 8.300 nan 0.000 0.489 740 G N 1.579 110.592 108.800 0.354 0.000 2.531 740 G HA2 0.465 4.423 3.960 -0.003 0.000 0.313 740 G HA3 0.465 4.423 3.960 -0.003 0.000 0.313 740 G C 1.076 176.176 174.900 0.333 0.000 1.238 740 G CA -0.183 45.061 45.100 0.239 0.000 0.994 740 G HN 0.694 nan 8.290 nan 0.000 0.493 741 I N -0.735 119.967 120.570 0.221 0.000 2.335 741 I HA 0.017 4.185 4.170 -0.003 0.000 0.251 741 I C 2.414 178.692 176.117 0.268 0.000 1.129 741 I CA 2.956 64.380 61.300 0.206 0.000 1.402 741 I CB -1.254 36.823 38.000 0.128 0.000 1.069 741 I HN 0.804 nan 8.210 nan 0.000 0.424 742 T N -4.960 109.734 114.554 0.233 0.000 3.041 742 T HA 0.361 4.709 4.350 -0.003 0.000 0.276 742 T C 0.405 174.997 174.700 -0.179 0.000 0.948 742 T CA 0.031 62.231 62.100 0.166 0.000 0.885 742 T CB 0.117 69.034 68.868 0.082 0.000 1.175 742 T HN 0.607 nan 8.240 nan 0.000 0.529 743 K N 0.716 120.902 120.400 -0.357 0.000 2.477 743 K HA 0.573 4.891 4.320 -0.003 0.000 0.255 743 K C -1.597 174.574 176.600 -0.716 0.000 0.952 743 K CA -0.976 54.873 56.287 -0.729 0.000 0.826 743 K CB 2.744 34.974 32.500 -0.450 0.000 1.331 743 K HN 0.103 nan 8.250 nan 0.000 0.437 744 I N 3.189 123.301 120.570 -0.762 0.000 2.312 744 I HA 0.280 4.448 4.170 -0.003 0.000 0.291 744 I C -1.322 174.633 176.117 -0.270 0.000 1.031 744 I CA -0.331 60.759 61.300 -0.351 0.000 1.293 744 I CB 0.060 37.907 38.000 -0.256 0.000 1.403 744 I HN 0.467 nan 8.210 nan 0.000 0.484 745 F N 8.324 128.106 119.950 -0.280 0.000 2.404 745 F HA 0.606 5.131 4.527 -0.003 0.000 0.339 745 F C 0.583 176.331 175.800 -0.087 0.000 1.105 745 F CA -0.033 57.859 58.000 -0.180 0.000 1.087 745 F CB 1.238 40.074 39.000 -0.274 0.000 1.143 745 F HN 0.343 nan 8.300 nan 0.000 0.491 746 F N 1.833 121.889 119.950 0.177 0.000 2.691 746 F HA 0.866 5.391 4.527 -0.003 0.000 0.334 746 F C -0.331 175.598 175.800 0.216 0.000 1.107 746 F CA -1.604 56.511 58.000 0.192 0.000 0.991 746 F CB 1.397 nan 39.000 nan 0.000 1.400 746 F HN 0.455 nan 8.300 nan 0.000 0.503 747 R N 0.000 120.575 120.500 0.125 0.000 2.786 747 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 747 R CA 0.000 56.116 56.100 0.026 0.000 0.921 747 R CB 0.000 30.275 30.300 -0.041 0.000 0.687 747 R HN 0.000 nan 8.270 nan 0.000 0.535