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 1mmd_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP DERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNQAXXXGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDE DEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CSERAAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKVEQ EEYLKEKINX DATA SEQUENCE XXXXXXLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA XXXXXFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEARE 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 0.000 175.483 175.510 -0.046 0.000 1.280 2 N CA 0.000 53.057 53.050 0.011 0.000 0.885 2 N CB 0.000 38.557 38.487 0.117 0.000 1.341 3 P HA 0.047 nan 4.420 nan 0.000 0.220 3 P C 1.514 178.730 177.300 -0.140 0.000 1.148 3 P CA 0.658 63.712 63.100 -0.078 0.000 0.803 3 P CB 0.524 32.173 31.700 -0.085 0.000 0.782 4 I N -0.621 119.681 120.570 -0.447 0.000 2.361 4 I HA -0.211 3.960 4.170 0.003 0.000 0.251 4 I C 1.908 177.858 176.117 -0.278 0.000 1.133 4 I CA 1.376 62.290 61.300 -0.644 0.000 1.413 4 I CB -0.600 36.873 38.000 -0.880 0.000 1.073 4 I HN 0.181 nan 8.210 nan 0.000 0.424 5 H N -2.074 117.035 119.070 0.064 0.000 2.784 5 H HA 0.249 4.807 4.556 0.002 0.000 0.273 5 H C -0.061 175.250 175.328 -0.028 0.000 1.112 5 H CA -0.197 55.888 56.048 0.062 0.000 1.162 5 H CB -0.116 29.660 29.762 0.025 0.000 1.586 5 H HN 0.149 nan 8.280 nan 0.000 0.548 6 D N 1.604 122.034 120.400 0.050 0.000 2.479 6 D HA 0.098 4.740 4.640 0.003 0.000 0.218 6 D C 1.050 177.249 176.300 -0.168 0.000 1.131 6 D CA -0.469 53.517 54.000 -0.024 0.000 0.916 6 D CB 0.415 41.228 40.800 0.022 0.000 1.022 6 D HN -0.009 nan 8.370 nan 0.000 0.515 7 R N 0.929 121.188 120.500 -0.403 0.000 2.397 7 R HA -0.073 4.268 4.340 0.003 0.000 0.213 7 R C 1.561 177.724 176.300 -0.228 0.000 1.102 7 R CA 1.529 57.256 56.100 -0.622 0.000 1.040 7 R CB 0.019 30.081 30.300 -0.398 0.000 0.844 7 R HN 0.465 nan 8.270 nan 0.000 0.478 8 T N -3.207 111.284 114.554 -0.104 0.000 3.054 8 T HA 0.103 4.454 4.350 0.003 0.000 0.255 8 T C 0.677 175.391 174.700 0.023 0.000 1.035 8 T CA -0.148 61.932 62.100 -0.033 0.000 0.941 8 T CB 0.225 69.077 68.868 -0.027 0.000 1.026 8 T HN 0.086 nan 8.240 nan 0.000 0.533 9 S N 1.137 116.887 115.700 0.083 0.000 2.614 9 S HA 0.251 4.723 4.470 0.003 0.000 0.265 9 S C 0.506 175.195 174.600 0.150 0.000 1.303 9 S CA -0.461 57.820 58.200 0.135 0.000 1.000 9 S CB 0.811 64.127 63.200 0.195 0.000 0.935 9 S HN 0.089 nan 8.310 nan 0.000 0.551 10 D N -0.042 120.453 120.400 0.159 0.000 2.182 10 D HA -0.086 4.555 4.640 0.003 0.000 0.201 10 D C 1.403 177.845 176.300 0.237 0.000 0.986 10 D CA 1.361 55.477 54.000 0.193 0.000 0.847 10 D CB -0.471 40.527 40.800 0.331 0.000 0.942 10 D HN 0.741 nan 8.370 nan 0.000 0.467 11 Y N 0.861 121.235 120.300 0.124 0.000 2.053 11 Y HA -0.320 4.231 4.550 0.003 0.000 0.277 11 Y C 2.487 178.377 175.900 -0.018 0.000 1.159 11 Y CA 1.950 60.086 58.100 0.059 0.000 1.125 11 Y CB -0.264 38.187 38.460 -0.016 0.000 0.969 11 Y HN 0.143 nan 8.280 nan 0.000 0.492 12 H N 0.058 119.156 119.070 0.046 0.000 2.321 12 H HA -0.161 4.396 4.556 0.002 0.000 0.300 12 H C 2.283 177.520 175.328 -0.150 0.000 1.087 12 H CA 2.053 58.065 56.048 -0.061 0.000 1.319 12 H CB -0.065 29.719 29.762 0.036 0.000 1.379 12 H HN 0.343 nan 8.280 nan 0.000 0.501 13 K N 0.002 120.355 120.400 -0.078 0.000 2.057 13 K HA -0.152 4.169 4.320 0.003 0.000 0.207 13 K C 1.555 177.915 176.600 -0.400 0.000 1.049 13 K CA 1.432 57.539 56.287 -0.300 0.000 0.931 13 K CB 0.071 32.247 32.500 -0.539 0.000 0.714 13 K HN 0.212 nan 8.250 nan 0.000 0.440 14 Y N -0.796 119.454 120.300 -0.084 0.000 2.478 14 Y HA 0.162 4.714 4.550 0.003 0.000 0.261 14 Y C 1.213 177.015 175.900 -0.164 0.000 1.127 14 Y CA 0.291 58.325 58.100 -0.111 0.000 1.288 14 Y CB 0.520 38.929 38.460 -0.085 0.000 1.084 14 Y HN -0.055 nan 8.280 nan 0.000 0.530 15 L N -1.094 120.040 121.223 -0.148 0.000 2.966 15 L HA 0.253 4.594 4.340 0.003 0.000 0.262 15 L C 0.182 176.886 176.870 -0.278 0.000 1.165 15 L CA 0.145 54.853 54.840 -0.220 0.000 0.978 15 L CB 0.489 42.326 42.059 -0.369 0.000 1.337 15 L HN -0.208 nan 8.230 nan 0.000 0.563 16 K N 0.385 120.613 120.400 -0.286 0.000 2.395 16 K HA 0.507 4.828 4.320 0.003 0.000 0.247 16 K C -0.877 175.656 176.600 -0.112 0.000 0.973 16 K CA -0.797 55.356 56.287 -0.224 0.000 0.828 16 K CB 3.454 35.749 32.500 -0.341 0.000 1.272 16 K HN -0.353 nan 8.250 nan 0.000 0.439 17 V N 2.455 122.330 119.914 -0.065 0.000 2.455 17 V HA 0.064 4.185 4.120 0.003 0.000 0.273 17 V C 0.568 176.659 176.094 -0.004 0.000 1.045 17 V CA -0.319 61.960 62.300 -0.036 0.000 0.976 17 V CB 0.601 32.412 31.823 -0.021 0.000 0.993 17 V HN 0.589 nan 8.190 nan 0.000 0.475 18 K N 4.866 125.263 120.400 -0.005 0.000 2.511 18 K HA 0.006 4.328 4.320 0.003 0.000 0.280 18 K C 0.081 176.695 176.600 0.023 0.000 1.008 18 K CA 0.354 56.653 56.287 0.020 0.000 1.050 18 K CB 0.262 32.758 32.500 -0.007 0.000 0.889 18 K HN 0.702 nan 8.250 nan 0.000 0.484 19 Q N 2.325 122.151 119.800 0.043 0.000 2.271 19 Q HA 0.318 4.660 4.340 0.003 0.000 0.258 19 Q C 0.382 176.384 176.000 0.004 0.000 0.936 19 Q CA -0.895 54.925 55.803 0.028 0.000 0.909 19 Q CB 1.852 30.621 28.738 0.051 0.000 1.253 19 Q HN 0.745 nan 8.270 nan 0.000 0.440 20 G N 1.085 109.884 108.800 -0.002 0.000 2.510 20 G HA2 0.022 3.984 3.960 0.003 0.000 0.280 20 G HA3 0.022 3.984 3.960 0.003 0.000 0.280 20 G C 0.010 174.904 174.900 -0.010 0.000 1.386 20 G CA -0.406 44.689 45.100 -0.009 0.000 1.047 20 G HN 0.607 nan 8.290 nan 0.000 0.527 21 D N -1.143 119.251 120.400 -0.011 0.000 2.277 21 D HA 0.044 4.685 4.640 0.003 0.000 0.208 21 D C 0.996 177.293 176.300 -0.006 0.000 0.962 21 D CA 0.921 54.915 54.000 -0.010 0.000 0.865 21 D CB 0.439 41.233 40.800 -0.011 0.000 0.939 21 D HN 0.150 nan 8.370 nan 0.000 0.510 22 S N -0.031 115.666 115.700 -0.005 0.000 2.566 22 S HA 0.251 4.723 4.470 0.003 0.000 0.298 22 S C -0.285 174.313 174.600 -0.003 0.000 1.083 22 S CA -0.810 57.389 58.200 -0.002 0.000 0.978 22 S CB 1.537 64.737 63.200 0.000 0.000 1.073 22 S HN 0.011 nan 8.310 nan 0.000 0.491 23 D N 2.073 122.474 120.400 0.001 0.000 2.469 23 D HA 0.110 4.751 4.640 0.003 0.000 0.213 23 D C 0.172 176.475 176.300 0.004 0.000 1.135 23 D CA -0.310 53.688 54.000 -0.002 0.000 0.834 23 D CB -0.104 40.697 40.800 0.002 0.000 1.009 23 D HN 0.265 nan 8.370 nan 0.000 0.507 24 L N 1.507 122.741 121.223 0.018 0.000 2.559 24 L HA -0.017 4.324 4.340 0.003 0.000 0.282 24 L C 1.424 178.325 176.870 0.052 0.000 1.232 24 L CA 0.134 55.003 54.840 0.047 0.000 0.885 24 L CB -0.155 41.931 42.059 0.044 0.000 1.131 24 L HN -0.060 nan 8.230 nan 0.000 0.498 25 F N 3.185 123.086 119.950 -0.081 0.000 2.126 25 F HA -0.305 4.222 4.527 0.001 0.000 0.299 25 F C 2.123 177.889 175.800 -0.057 0.000 1.096 25 F CA 2.104 60.046 58.000 -0.097 0.000 1.255 25 F CB 0.029 38.945 39.000 -0.140 0.000 0.997 25 F HN 0.721 nan 8.300 nan 0.000 0.479 26 K N -0.319 120.138 120.400 0.094 0.000 2.280 26 K HA -0.165 4.157 4.320 0.003 0.000 0.202 26 K C 1.706 178.268 176.600 -0.063 0.000 1.047 26 K CA 1.465 57.760 56.287 0.014 0.000 0.942 26 K CB -0.667 31.872 32.500 0.066 0.000 0.739 26 K HN 0.236 nan 8.250 nan 0.000 0.457 27 L N 2.292 123.476 121.223 -0.065 0.000 1.971 27 L HA -0.166 4.176 4.340 0.003 0.000 0.215 27 L C 2.325 179.140 176.870 -0.092 0.000 1.072 27 L CA 2.468 57.270 54.840 -0.063 0.000 0.758 27 L CB -1.420 40.606 42.059 -0.055 0.000 0.889 27 L HN 0.611 nan 8.230 nan 0.000 0.433 28 T N -3.764 110.694 114.554 -0.160 0.000 3.284 28 T HA 0.097 4.448 4.350 0.003 0.000 0.252 28 T C 0.658 175.242 174.700 -0.193 0.000 1.144 28 T CA -0.282 61.714 62.100 -0.174 0.000 1.021 28 T CB -0.854 67.885 68.868 -0.215 0.000 0.984 28 T HN -0.052 nan 8.240 nan 0.000 0.545 29 V N 1.866 121.671 119.914 -0.182 0.000 2.572 29 V HA 0.457 4.578 4.120 0.003 0.000 0.291 29 V C 0.404 176.461 176.094 -0.061 0.000 1.039 29 V CA -0.063 62.156 62.300 -0.136 0.000 1.055 29 V CB 1.072 32.843 31.823 -0.088 0.000 0.969 29 V HN 0.522 nan 8.190 nan 0.000 0.482 30 S N 2.176 117.851 115.700 -0.041 0.000 2.536 30 S HA 0.363 4.835 4.470 0.003 0.000 0.271 30 S C 0.315 174.904 174.600 -0.018 0.000 1.134 30 S CA -0.705 57.487 58.200 -0.012 0.000 0.897 30 S CB 1.777 64.986 63.200 0.014 0.000 1.094 30 S HN 0.825 nan 8.310 nan 0.000 0.473 31 D N 1.505 121.892 120.400 -0.021 0.000 2.213 31 D HA 0.065 4.706 4.640 0.003 0.000 0.205 31 D C -0.006 176.242 176.300 -0.088 0.000 0.961 31 D CA 0.831 54.809 54.000 -0.036 0.000 0.853 31 D CB 0.229 41.015 40.800 -0.023 0.000 0.967 31 D HN 0.222 nan 8.370 nan 0.000 0.496 32 K N 0.993 121.314 120.400 -0.131 0.000 2.258 32 K HA 0.250 4.572 4.320 0.003 0.000 0.264 32 K C 0.371 176.694 176.600 -0.462 0.000 1.007 32 K CA 0.217 56.302 56.287 -0.336 0.000 0.941 32 K CB 0.954 33.216 32.500 -0.397 0.000 0.966 32 K HN -0.105 nan 8.250 nan 0.000 0.480 33 R N 1.610 121.718 120.500 -0.654 0.000 2.750 33 R HA 0.454 4.796 4.340 0.003 0.000 0.281 33 R C -0.969 174.847 176.300 -0.807 0.000 0.972 33 R CA -0.826 54.958 56.100 -0.528 0.000 0.912 33 R CB 1.362 31.490 30.300 -0.286 0.000 1.187 33 R HN 0.497 nan 8.270 nan 0.000 0.464 34 Y N 0.907 121.040 120.300 -0.279 0.000 2.634 34 Y HA 0.569 5.123 4.550 0.006 0.000 0.340 34 Y C -0.159 175.427 175.900 -0.524 0.000 1.058 34 Y CA -0.932 56.941 58.100 -0.379 0.000 1.081 34 Y CB 1.925 40.118 38.460 -0.445 0.000 1.295 34 Y HN 0.278 nan 8.280 nan 0.000 0.487 35 I N 0.690 121.043 120.570 -0.361 0.000 2.686 35 I HA 0.267 4.439 4.170 0.003 0.000 0.295 35 I C -1.735 174.124 176.117 -0.430 0.000 1.114 35 I CA -1.089 59.923 61.300 -0.479 0.000 1.038 35 I CB 1.747 39.421 38.000 -0.543 0.000 1.238 35 I HN 0.742 nan 8.210 nan 0.000 0.420 36 W N 7.391 128.568 121.300 -0.205 0.000 2.316 36 W HA 0.372 5.035 4.660 0.006 0.000 0.311 36 W C -0.540 175.966 176.519 -0.021 0.000 1.217 36 W CA -0.283 56.961 57.345 -0.168 0.000 1.199 36 W CB 0.735 30.009 29.460 -0.309 0.000 1.202 36 W HN 0.376 nan 8.180 nan 0.000 0.528 37 Y N 0.199 120.653 120.300 0.256 0.000 2.581 37 Y HA 0.544 5.096 4.550 0.003 0.000 0.345 37 Y C -1.138 174.901 175.900 0.232 0.000 1.036 37 Y CA -2.135 56.065 58.100 0.166 0.000 1.042 37 Y CB 0.953 39.327 38.460 -0.145 0.000 1.289 37 Y HN 0.396 nan 8.280 nan 0.000 0.471 38 N N 3.763 122.564 118.700 0.169 0.000 2.439 38 N HA 0.323 5.065 4.740 0.003 0.000 0.249 38 N C -2.270 173.335 175.510 0.159 0.000 1.003 38 N CA -1.653 51.351 53.050 -0.077 0.000 0.942 38 N CB 1.379 39.755 38.487 -0.184 0.000 1.115 38 N HN 0.502 nan 8.380 nan 0.000 0.505 39 P HA -0.085 nan 4.420 nan 0.000 0.226 39 P C -0.494 176.882 177.300 0.126 0.000 1.153 39 P CA 1.331 64.567 63.100 0.227 0.000 0.777 39 P CB 0.315 32.093 31.700 0.131 0.000 0.794 40 D N -1.390 119.032 120.400 0.036 0.000 2.476 40 D HA 0.184 4.826 4.640 0.003 0.000 0.251 40 D C -2.241 174.043 176.300 -0.026 0.000 1.291 40 D CA -2.353 51.652 54.000 0.009 0.000 0.939 40 D CB 1.388 42.181 40.800 -0.013 0.000 1.221 40 D HN -0.219 nan 8.370 nan 0.000 0.567 41 P HA -0.041 nan 4.420 nan 0.000 0.226 41 P C 0.763 178.040 177.300 -0.038 0.000 1.146 41 P CA 0.663 63.754 63.100 -0.014 0.000 0.773 41 P CB 0.473 32.183 31.700 0.016 0.000 0.772 42 D N -0.844 119.532 120.400 -0.040 0.000 2.183 42 D HA -0.032 4.609 4.640 0.003 0.000 0.205 42 D C 0.624 176.881 176.300 -0.072 0.000 0.962 42 D CA 0.566 54.539 54.000 -0.045 0.000 0.849 42 D CB -0.315 40.465 40.800 -0.033 0.000 0.978 42 D HN 0.393 nan 8.370 nan 0.000 0.488 43 E N 0.639 120.784 120.200 -0.091 0.000 1.861 43 E HA 0.133 4.484 4.350 0.003 0.000 0.263 43 E C 1.462 177.938 176.600 -0.208 0.000 1.137 43 E CA -0.243 56.078 56.400 -0.132 0.000 0.944 43 E CB 0.723 30.346 29.700 -0.128 0.000 1.092 43 E HN 0.277 nan 8.360 nan 0.000 0.420 44 R N 2.532 122.909 120.500 -0.204 0.000 2.236 44 R HA -0.062 4.280 4.340 0.003 0.000 0.208 44 R C 0.024 176.065 176.300 -0.431 0.000 1.036 44 R CA 0.946 56.885 56.100 -0.269 0.000 1.001 44 R CB 0.376 30.589 30.300 -0.144 0.000 0.896 44 R HN 0.231 nan 8.270 nan 0.000 0.464 45 D N 0.390 120.585 120.400 -0.341 0.000 2.349 45 D HA 0.087 4.729 4.640 0.003 0.000 0.214 45 D C -0.465 175.614 176.300 -0.368 0.000 1.063 45 D CA 0.328 54.153 54.000 -0.293 0.000 0.847 45 D CB 0.788 41.463 40.800 -0.209 0.000 0.933 45 D HN -0.007 nan 8.370 nan 0.000 0.513 46 S N 0.177 115.591 115.700 -0.476 0.000 2.438 46 S HA 0.430 4.902 4.470 0.003 0.000 0.316 46 S C -1.018 173.298 174.600 -0.474 0.000 1.084 46 S CA -0.437 57.562 58.200 -0.336 0.000 1.107 46 S CB 0.297 63.374 63.200 -0.205 0.000 0.981 46 S HN -0.018 nan 8.310 nan 0.000 0.466 47 Y N 1.562 121.779 120.300 -0.138 0.000 2.570 47 Y HA 0.607 5.159 4.550 0.002 0.000 0.345 47 Y C 0.477 176.290 175.900 -0.146 0.000 1.014 47 Y CA -0.977 57.033 58.100 -0.149 0.000 1.063 47 Y CB 1.377 39.774 38.460 -0.105 0.000 1.272 47 Y HN 0.428 nan 8.280 nan 0.000 0.477 48 E N 0.053 120.154 120.200 -0.165 0.000 2.410 48 E HA 0.333 4.685 4.350 0.003 0.000 0.269 48 E C -1.469 174.988 176.600 -0.238 0.000 0.937 48 E CA -0.829 55.424 56.400 -0.244 0.000 0.793 48 E CB 2.764 32.188 29.700 -0.461 0.000 1.314 48 E HN 0.631 nan 8.360 nan 0.000 0.447 49 C N 1.169 120.395 119.300 -0.124 0.000 2.285 49 C HA 0.750 5.212 4.460 0.003 0.000 0.335 49 C C 0.434 175.466 174.990 0.069 0.000 1.267 49 C CA -0.039 58.813 59.018 -0.277 0.000 1.762 49 C CB -0.967 26.401 27.740 -0.620 0.000 2.365 49 C HN 0.649 nan 8.230 nan 0.000 0.527 50 G N 4.254 113.163 108.800 0.182 0.000 2.388 50 G HA2 0.515 4.477 3.960 0.003 0.000 0.330 50 G HA3 0.515 4.477 3.960 0.003 0.000 0.330 50 G C -1.126 173.917 174.900 0.238 0.000 1.142 50 G CA -0.234 45.050 45.100 0.306 0.000 0.908 50 G HN 0.912 nan 8.290 nan 0.000 0.473 51 E N 2.089 122.462 120.200 0.287 0.000 2.227 51 E HA 0.318 4.670 4.350 0.003 0.000 0.282 51 E C -0.179 176.432 176.600 0.019 0.000 1.015 51 E CA -0.648 55.821 56.400 0.116 0.000 0.823 51 E CB 0.921 30.691 29.700 0.115 0.000 1.081 51 E HN 0.340 nan 8.360 nan 0.000 0.396 52 I N 4.679 125.164 120.570 -0.141 0.000 2.529 52 I HA -0.022 4.149 4.170 0.003 0.000 0.284 52 I C 0.794 176.885 176.117 -0.043 0.000 1.082 52 I CA -0.223 61.037 61.300 -0.065 0.000 1.406 52 I CB 1.249 39.147 38.000 -0.170 0.000 1.405 52 I HN 0.547 nan 8.210 nan 0.000 0.548 53 V N 3.663 123.591 119.914 0.024 0.000 2.806 53 V HA 0.107 4.228 4.120 0.003 0.000 0.239 53 V C 0.471 176.581 176.094 0.026 0.000 1.113 53 V CA 0.885 63.191 62.300 0.011 0.000 1.137 53 V CB 0.597 32.423 31.823 0.004 0.000 0.865 53 V HN 0.905 nan 8.190 nan 0.000 0.482 54 S N 0.143 115.881 115.700 0.063 0.000 2.587 54 S HA 0.630 5.101 4.470 0.003 0.000 0.269 54 S C -1.497 173.171 174.600 0.114 0.000 1.154 54 S CA -0.802 57.438 58.200 0.065 0.000 0.824 54 S CB 2.426 65.642 63.200 0.027 0.000 1.118 54 S HN 0.527 nan 8.310 nan 0.000 0.462 55 E N -0.046 120.198 120.200 0.074 0.000 2.340 55 E HA 0.638 4.989 4.350 0.003 0.000 0.273 55 E C -0.420 176.157 176.600 -0.037 0.000 0.891 55 E CA -0.976 55.438 56.400 0.025 0.000 0.757 55 E CB 1.849 31.544 29.700 -0.009 0.000 1.231 55 E HN 0.798 nan 8.360 nan 0.000 0.439 56 T N -0.690 113.816 114.554 -0.080 0.000 2.867 56 T HA 0.221 4.572 4.350 0.003 0.000 0.286 56 T C 1.145 175.784 174.700 -0.102 0.000 1.022 56 T CA 0.074 62.132 62.100 -0.070 0.000 0.933 56 T CB 0.851 69.682 68.868 -0.062 0.000 1.280 56 T HN 0.435 nan 8.240 nan 0.000 0.566 57 S N 0.861 116.513 115.700 -0.080 0.000 2.402 57 S HA -0.072 4.400 4.470 0.003 0.000 0.229 57 S C 1.412 175.939 174.600 -0.123 0.000 1.021 57 S CA 1.121 59.271 58.200 -0.084 0.000 0.974 57 S CB -0.465 62.703 63.200 -0.053 0.000 0.800 57 S HN 0.929 nan 8.310 nan 0.000 0.484 58 D N 0.766 121.090 120.400 -0.126 0.000 2.449 58 D HA 0.112 4.754 4.640 0.003 0.000 0.210 58 D C 0.668 176.856 176.300 -0.186 0.000 1.094 58 D CA 0.289 54.207 54.000 -0.137 0.000 0.846 58 D CB 0.036 40.790 40.800 -0.077 0.000 1.003 58 D HN 0.440 nan 8.370 nan 0.000 0.504 59 S N -0.929 114.647 115.700 -0.206 0.000 2.632 59 S HA 0.700 5.171 4.470 0.003 0.000 0.289 59 S C -1.085 173.373 174.600 -0.237 0.000 1.115 59 S CA -0.852 57.245 58.200 -0.172 0.000 0.889 59 S CB 1.565 64.736 63.200 -0.049 0.000 1.116 59 S HN 0.010 nan 8.310 nan 0.000 0.486 60 F N 0.316 120.295 119.950 0.049 0.000 2.522 60 F HA 0.589 5.115 4.527 -0.001 0.000 0.324 60 F C 0.504 176.353 175.800 0.081 0.000 1.077 60 F CA -0.632 57.409 58.000 0.068 0.000 0.944 60 F CB 2.755 41.815 39.000 0.100 0.000 1.175 60 F HN 0.530 nan 8.300 nan 0.000 0.468 61 T N 4.027 118.745 114.554 0.273 0.000 2.815 61 T HA 0.503 4.854 4.350 0.003 0.000 0.289 61 T C -1.014 173.737 174.700 0.085 0.000 1.000 61 T CA -0.422 61.721 62.100 0.070 0.000 0.958 61 T CB 0.348 69.215 68.868 -0.001 0.000 0.944 61 T HN 0.398 nan 8.240 nan 0.000 0.442 62 F N 0.740 120.670 119.950 -0.032 0.000 2.618 62 F HA 0.902 5.430 4.527 0.001 0.000 0.332 62 F C -0.390 175.346 175.800 -0.107 0.000 1.061 62 F CA -1.635 56.319 58.000 -0.077 0.000 0.974 62 F CB 1.169 40.105 39.000 -0.105 0.000 1.310 62 F HN 0.095 nan 8.300 nan 0.000 0.491 63 K N 1.298 121.782 120.400 0.140 0.000 2.213 63 K HA 0.384 4.706 4.320 0.003 0.000 0.270 63 K C 0.004 176.689 176.600 0.141 0.000 1.002 63 K CA -0.498 55.816 56.287 0.043 0.000 0.868 63 K CB 1.484 34.014 32.500 0.049 0.000 1.093 63 K HN 0.901 nan 8.250 nan 0.000 0.454 64 T N -0.748 113.815 114.554 0.014 0.000 2.698 64 T HA 0.103 4.455 4.350 0.003 0.000 0.295 64 T C 1.626 176.452 174.700 0.210 0.000 1.007 64 T CA 0.048 62.193 62.100 0.075 0.000 0.980 64 T CB 0.378 69.249 68.868 0.003 0.000 1.036 64 T HN 0.312 nan 8.240 nan 0.000 0.526 65 V N 0.457 120.566 119.914 0.324 0.000 2.453 65 V HA -0.024 4.098 4.120 0.003 0.000 0.247 65 V C 2.418 178.594 176.094 0.136 0.000 1.048 65 V CA 2.309 64.741 62.300 0.220 0.000 1.049 65 V CB -0.867 31.084 31.823 0.214 0.000 0.672 65 V HN 0.919 nan 8.190 nan 0.000 0.457 66 D N 0.337 120.813 120.400 0.127 0.000 2.219 66 D HA 0.118 4.760 4.640 0.003 0.000 0.205 66 D C 1.714 178.045 176.300 0.051 0.000 0.970 66 D CA 1.651 55.698 54.000 0.077 0.000 0.851 66 D CB 0.237 41.076 40.800 0.066 0.000 0.943 66 D HN 0.919 nan 8.370 nan 0.000 0.488 67 G N -0.545 108.285 108.800 0.049 0.000 2.168 67 G HA2 -0.175 3.786 3.960 0.003 0.000 0.197 67 G HA3 -0.175 3.786 3.960 0.003 0.000 0.197 67 G C 0.429 175.327 174.900 -0.004 0.000 0.997 67 G CA 0.416 45.532 45.100 0.027 0.000 0.658 67 G HN 0.718 nan 8.290 nan 0.000 0.513 68 Q N -0.321 119.469 119.800 -0.015 0.000 2.260 68 Q HA 0.683 5.025 4.340 0.003 0.000 0.242 68 Q C 0.068 175.990 176.000 -0.131 0.000 0.932 68 Q CA 0.970 56.737 55.803 -0.060 0.000 0.891 68 Q CB 0.387 29.096 28.738 -0.048 0.000 1.222 68 Q HN 1.834 nan 8.270 nan 0.000 0.453 69 D N -1.007 119.292 120.400 -0.167 0.000 2.198 69 D HA 0.838 5.480 4.640 0.003 0.000 0.247 69 D C 0.093 176.164 176.300 -0.382 0.000 1.010 69 D CA 0.361 54.203 54.000 -0.264 0.000 0.880 69 D CB 1.099 41.792 40.800 -0.179 0.000 1.209 69 D HN 1.133 nan 8.370 nan 0.000 0.451 70 R N 0.080 120.170 120.500 -0.683 0.000 2.795 70 R HA 0.895 5.236 4.340 0.003 0.000 0.268 70 R C -0.879 174.976 176.300 -0.743 0.000 1.041 70 R CA -0.663 54.986 56.100 -0.752 0.000 0.927 70 R CB 0.997 30.851 30.300 -0.744 0.000 1.235 70 R HN 0.740 nan 8.270 nan 0.000 0.463 71 Q N -0.413 119.159 119.800 -0.379 0.000 2.456 71 Q HA 0.774 5.116 4.340 0.003 0.000 0.283 71 Q C -1.688 174.379 176.000 0.112 0.000 1.084 71 Q CA -1.104 54.643 55.803 -0.093 0.000 0.801 71 Q CB 2.701 31.408 28.738 -0.052 0.000 1.434 71 Q HN 0.690 nan 8.270 nan 0.000 0.419 72 V N 0.955 121.004 119.914 0.226 0.000 3.120 72 V HA 0.488 4.610 4.120 0.003 0.000 0.303 72 V C -1.833 174.369 176.094 0.181 0.000 1.238 72 V CA -0.713 61.738 62.300 0.252 0.000 1.008 72 V CB 2.422 34.465 31.823 0.366 0.000 1.064 72 V HN 0.570 nan 8.190 nan 0.000 0.434 73 K N 2.957 123.433 120.400 0.127 0.000 2.218 73 K HA 0.449 4.771 4.320 0.003 0.000 0.276 73 K C 0.999 177.654 176.600 0.092 0.000 1.022 73 K CA 0.155 56.480 56.287 0.062 0.000 0.946 73 K CB 1.109 33.635 32.500 0.043 0.000 1.000 73 K HN 0.674 nan 8.250 nan 0.000 0.468 74 K N 1.292 121.674 120.400 -0.031 0.000 2.113 74 K HA -0.159 4.162 4.320 0.003 0.000 0.208 74 K C 0.682 177.339 176.600 0.095 0.000 1.047 74 K CA 1.620 57.890 56.287 -0.029 0.000 0.928 74 K CB 0.116 32.415 32.500 -0.335 0.000 0.716 74 K HN 0.568 nan 8.250 nan 0.000 0.446 75 D N 0.699 121.126 120.400 0.045 0.000 2.350 75 D HA -0.100 4.542 4.640 0.003 0.000 0.216 75 D C 0.774 177.116 176.300 0.069 0.000 0.968 75 D CA 1.022 55.053 54.000 0.053 0.000 0.894 75 D CB 0.131 40.949 40.800 0.030 0.000 0.909 75 D HN 0.187 nan 8.370 nan 0.000 0.520 76 D N -0.341 120.113 120.400 0.090 0.000 2.441 76 D HA 0.142 4.783 4.640 0.003 0.000 0.210 76 D C 0.464 176.830 176.300 0.110 0.000 1.102 76 D CA -0.018 54.038 54.000 0.093 0.000 0.840 76 D CB 0.632 41.490 40.800 0.097 0.000 0.990 76 D HN -0.023 nan 8.370 nan 0.000 0.505 77 A N 0.925 123.828 122.820 0.139 0.000 2.425 77 A HA 0.261 4.582 4.320 0.003 0.000 0.249 77 A C 0.338 177.934 177.584 0.020 0.000 1.084 77 A CA -0.128 51.975 52.037 0.110 0.000 0.781 77 A CB 0.253 19.388 19.000 0.225 0.000 1.019 77 A HN -0.012 nan 8.150 nan 0.000 0.490 78 N N 2.730 121.424 118.700 -0.011 0.000 2.955 78 N HA 0.144 4.886 4.740 0.003 0.000 0.242 78 N C -0.698 174.756 175.510 -0.093 0.000 1.123 78 N CA -0.034 53.012 53.050 -0.006 0.000 0.949 78 N CB 1.073 39.603 38.487 0.071 0.000 1.214 78 N HN 0.707 nan 8.380 nan 0.000 0.504 79 Q N 0.773 120.387 119.800 -0.309 0.000 2.421 79 Q HA 0.104 4.445 4.340 0.003 0.000 0.255 79 Q C 0.431 176.239 176.000 -0.321 0.000 1.013 79 Q CA 0.184 55.654 55.803 -0.553 0.000 0.895 79 Q CB 1.477 29.521 28.738 -1.157 0.000 1.271 79 Q HN 0.373 nan 8.270 nan 0.000 0.460 80 R N 2.294 122.572 120.500 -0.371 0.000 2.297 80 R HA 0.154 4.496 4.340 0.003 0.000 0.308 80 R C -0.515 175.855 176.300 0.117 0.000 1.029 80 R CA -0.462 55.492 56.100 -0.242 0.000 0.929 80 R CB 0.662 30.476 30.300 -0.810 0.000 1.046 80 R HN 0.582 nan 8.270 nan 0.000 0.461 81 N N 4.430 123.285 118.700 0.258 0.000 2.482 81 N HA 0.145 4.886 4.740 0.003 0.000 0.260 81 N C -2.315 173.355 175.510 0.266 0.000 1.236 81 N CA -1.053 52.112 53.050 0.192 0.000 0.938 81 N CB 0.767 39.214 38.487 -0.067 0.000 1.128 81 N HN 0.497 nan 8.380 nan 0.000 0.448 82 P HA 0.023 nan 4.420 nan 0.000 0.267 82 P C 1.394 178.931 177.300 0.395 0.000 1.200 82 P CA -0.179 63.147 63.100 0.377 0.000 0.772 82 P CB 0.824 32.757 31.700 0.388 0.000 0.855 83 I N 2.046 122.738 120.570 0.204 0.000 2.399 83 I HA -0.269 3.902 4.170 0.003 0.000 0.254 83 I C 1.958 178.129 176.117 0.090 0.000 1.146 83 I CA 1.658 63.047 61.300 0.148 0.000 1.412 83 I CB -0.238 37.810 38.000 0.081 0.000 1.076 83 I HN 0.521 nan 8.210 nan 0.000 0.432 84 K N 0.656 121.045 120.400 -0.018 0.000 2.211 84 K HA -0.209 4.113 4.320 0.003 0.000 0.204 84 K C 1.757 178.243 176.600 -0.191 0.000 1.047 84 K CA 1.525 57.703 56.287 -0.181 0.000 0.935 84 K CB -0.186 32.104 32.500 -0.350 0.000 0.728 84 K HN 0.255 nan 8.250 nan 0.000 0.452 85 F N 1.322 121.308 119.950 0.059 0.000 2.780 85 F HA 0.054 4.582 4.527 0.001 0.000 0.299 85 F C 0.263 176.110 175.800 0.079 0.000 1.146 85 F CA -0.200 57.844 58.000 0.072 0.000 1.428 85 F CB 0.014 39.065 39.000 0.085 0.000 1.115 85 F HN -0.164 nan 8.300 nan 0.000 0.583 86 D N 0.444 120.986 120.400 0.236 0.000 2.371 86 D HA 0.364 5.006 4.640 0.003 0.000 0.256 86 D C 1.290 177.626 176.300 0.060 0.000 1.193 86 D CA 0.909 54.999 54.000 0.152 0.000 0.881 86 D CB 0.912 41.805 40.800 0.155 0.000 1.143 86 D HN 0.331 nan 8.370 nan 0.000 0.473 87 G N 1.234 110.047 108.800 0.022 0.000 2.159 87 G HA2 -0.243 3.718 3.960 0.003 0.000 0.227 87 G HA3 -0.243 3.718 3.960 0.003 0.000 0.227 87 G C 0.461 175.381 174.900 0.034 0.000 0.986 87 G CA 0.051 45.151 45.100 -0.000 0.000 0.651 87 G HN 0.725 nan 8.290 nan 0.000 0.523 88 V N -1.385 118.578 119.914 0.082 0.000 2.901 88 V HA 0.356 4.478 4.120 0.003 0.000 0.307 88 V C 1.394 177.547 176.094 0.098 0.000 1.084 88 V CA 1.162 63.525 62.300 0.105 0.000 1.184 88 V CB 0.811 32.732 31.823 0.164 0.000 0.941 88 V HN 0.402 nan 8.190 nan 0.000 0.493 89 E N 0.942 121.212 120.200 0.117 0.000 2.347 89 E HA 0.003 4.355 4.350 0.003 0.000 0.196 89 E C 0.047 176.774 176.600 0.212 0.000 1.008 89 E CA 0.864 57.346 56.400 0.137 0.000 0.852 89 E CB 0.184 29.980 29.700 0.160 0.000 0.783 89 E HN 0.876 nan 8.360 nan 0.000 0.505 90 D N -0.497 120.036 120.400 0.222 0.000 2.863 90 D HA 0.104 4.746 4.640 0.003 0.000 0.245 90 D C 0.814 177.227 176.300 0.189 0.000 1.211 90 D CA -0.357 53.798 54.000 0.259 0.000 0.888 90 D CB 1.235 42.183 40.800 0.248 0.000 1.483 90 D HN -0.206 nan 8.370 nan 0.000 0.533 91 M N 1.526 121.231 119.600 0.175 0.000 2.435 91 M HA -0.090 4.391 4.480 0.003 0.000 0.262 91 M C 1.560 177.937 176.300 0.128 0.000 1.065 91 M CA 0.661 56.043 55.300 0.137 0.000 1.076 91 M CB -0.647 32.028 32.600 0.125 0.000 1.403 91 M HN 0.212 nan 8.290 nan 0.000 0.454 92 S N 0.694 116.477 115.700 0.139 0.000 2.474 92 S HA -0.100 4.371 4.470 0.003 0.000 0.235 92 S C 1.532 176.192 174.600 0.100 0.000 0.997 92 S CA 0.868 59.133 58.200 0.108 0.000 0.949 92 S CB -0.205 63.052 63.200 0.095 0.000 0.766 92 S HN 0.572 nan 8.310 nan 0.000 0.517 93 E N 0.541 120.823 120.200 0.138 0.000 2.481 93 E HA 0.113 4.465 4.350 0.003 0.000 0.195 93 E C -0.159 176.568 176.600 0.211 0.000 1.047 93 E CA -0.021 56.488 56.400 0.182 0.000 0.867 93 E CB 0.018 29.848 29.700 0.216 0.000 0.858 93 E HN 0.447 nan 8.360 nan 0.000 0.513 94 L N 0.958 122.242 121.223 0.103 0.000 2.456 94 L HA 0.007 4.349 4.340 0.003 0.000 0.272 94 L C 1.556 178.295 176.870 -0.218 0.000 1.189 94 L CA -0.126 54.659 54.840 -0.091 0.000 0.846 94 L CB 1.061 43.099 42.059 -0.035 0.000 1.111 94 L HN 0.039 nan 8.230 nan 0.000 0.475 95 S N 2.115 117.466 115.700 -0.581 0.000 2.371 95 S HA 0.039 4.511 4.470 0.003 0.000 0.219 95 S C 0.485 174.843 174.600 -0.403 0.000 1.040 95 S CA 0.255 58.134 58.200 -0.536 0.000 0.958 95 S CB 0.055 62.782 63.200 -0.788 0.000 0.860 95 S HN 0.431 nan 8.310 nan 0.000 0.487 96 Y N 1.438 121.607 120.300 -0.219 0.000 2.425 96 Y HA 0.453 5.004 4.550 0.002 0.000 0.347 96 Y C -0.558 175.304 175.900 -0.063 0.000 0.976 96 Y CA -0.689 57.349 58.100 -0.102 0.000 1.190 96 Y CB 0.640 39.053 38.460 -0.078 0.000 1.136 96 Y HN 0.097 nan 8.280 nan 0.000 0.517 97 L N 5.763 127.060 121.223 0.124 0.000 2.494 97 L HA 0.270 4.611 4.340 0.003 0.000 0.251 97 L C -0.588 176.321 176.870 0.065 0.000 1.119 97 L CA -0.375 54.509 54.840 0.075 0.000 1.026 97 L CB -0.465 41.630 42.059 0.060 0.000 1.370 97 L HN 0.687 nan 8.230 nan 0.000 0.426 98 N N -1.660 117.070 118.700 0.049 0.000 2.592 98 N HA 0.330 5.071 4.740 0.003 0.000 0.292 98 N C 0.469 175.949 175.510 -0.050 0.000 1.260 98 N CA -0.941 52.114 53.050 0.009 0.000 0.910 98 N CB 0.773 39.268 38.487 0.013 0.000 1.257 98 N HN 0.114 nan 8.380 nan 0.000 0.569 99 E N -0.649 119.502 120.200 -0.081 0.000 2.031 99 E HA -0.103 4.248 4.350 0.003 0.000 0.193 99 E C -0.895 175.548 176.600 -0.262 0.000 0.994 99 E CA 1.330 57.663 56.400 -0.112 0.000 0.800 99 E CB -0.988 28.679 29.700 -0.054 0.000 0.752 99 E HN 0.603 nan 8.360 nan 0.000 0.447 100 P HA -0.162 nan 4.420 nan 0.000 0.217 100 P C 1.125 177.905 177.300 -0.867 0.000 1.150 100 P CA 1.653 64.121 63.100 -1.053 0.000 0.832 100 P CB 0.024 30.648 31.700 -1.794 0.000 0.787 101 A N -0.119 122.403 122.820 -0.497 0.000 1.902 101 A HA -0.109 4.212 4.320 0.003 0.000 0.217 101 A C 2.460 180.019 177.584 -0.041 0.000 1.181 101 A CA 1.795 53.755 52.037 -0.128 0.000 0.623 101 A CB -1.607 17.456 19.000 0.106 0.000 0.818 101 A HN 0.070 nan 8.150 nan 0.000 0.443 102 V N -1.256 118.626 119.914 -0.055 0.000 2.307 102 V HA -0.200 3.921 4.120 0.003 0.000 0.245 102 V C 2.264 178.347 176.094 -0.019 0.000 1.045 102 V CA 2.009 64.304 62.300 -0.008 0.000 1.024 102 V CB -0.958 30.871 31.823 0.009 0.000 0.651 102 V HN 0.622 nan 8.190 nan 0.000 0.449 103 F N 1.153 120.990 119.950 -0.187 0.000 2.095 103 F HA -0.243 4.285 4.527 0.002 0.000 0.298 103 F C 2.467 178.164 175.800 -0.172 0.000 1.104 103 F CA 2.339 60.225 58.000 -0.190 0.000 1.232 103 F CB -0.715 38.139 39.000 -0.243 0.000 0.987 103 F HN 0.360 nan 8.300 nan 0.000 0.475 104 H N 0.088 118.901 119.070 -0.428 0.000 2.319 104 H HA -0.204 4.354 4.556 0.003 0.000 0.299 104 H C 2.335 177.503 175.328 -0.267 0.000 1.092 104 H CA 2.354 58.143 56.048 -0.431 0.000 1.302 104 H CB -0.800 28.740 29.762 -0.369 0.000 1.373 104 H HN 0.406 nan 8.280 nan 0.000 0.497 105 N N -0.375 118.195 118.700 -0.216 0.000 2.104 105 N HA -0.162 4.579 4.740 0.003 0.000 0.190 105 N C 1.816 177.178 175.510 -0.247 0.000 1.024 105 N CA 1.175 54.104 53.050 -0.202 0.000 0.853 105 N CB -0.079 38.392 38.487 -0.027 0.000 1.008 105 N HN 0.294 nan 8.380 nan 0.000 0.424 106 L N 2.060 123.123 121.223 -0.267 0.000 2.046 106 L HA -0.097 4.245 4.340 0.003 0.000 0.208 106 L C 2.634 179.317 176.870 -0.312 0.000 1.077 106 L CA 1.352 56.040 54.840 -0.254 0.000 0.747 106 L CB -0.767 41.120 42.059 -0.286 0.000 0.896 106 L HN 0.156 nan 8.230 nan 0.000 0.432 107 R N -1.124 119.051 120.500 -0.542 0.000 2.073 107 R HA -0.132 4.210 4.340 0.003 0.000 0.234 107 R C 2.172 178.323 176.300 -0.249 0.000 1.134 107 R CA 1.742 57.558 56.100 -0.474 0.000 0.952 107 R CB -0.341 29.531 30.300 -0.713 0.000 0.850 107 R HN 0.229 nan 8.270 nan 0.000 0.433 108 V N 1.579 121.291 119.914 -0.337 0.000 2.282 108 V HA -0.309 3.813 4.120 0.003 0.000 0.249 108 V C 2.488 178.499 176.094 -0.140 0.000 1.057 108 V CA 2.281 64.436 62.300 -0.242 0.000 1.032 108 V CB -0.519 31.113 31.823 -0.318 0.000 0.645 108 V HN 0.444 nan 8.190 nan 0.000 0.447 109 R N -1.383 119.039 120.500 -0.129 0.000 2.066 109 R HA -0.183 4.158 4.340 0.003 0.000 0.232 109 R C 2.343 178.613 176.300 -0.050 0.000 1.131 109 R CA 1.954 58.006 56.100 -0.079 0.000 0.955 109 R CB -0.651 29.610 30.300 -0.064 0.000 0.851 109 R HN 0.540 nan 8.270 nan 0.000 0.432 110 Y N 2.429 122.627 120.300 -0.170 0.000 2.224 110 Y HA -0.183 4.368 4.550 0.002 0.000 0.289 110 Y C 1.770 177.603 175.900 -0.110 0.000 1.146 110 Y CA 1.355 59.367 58.100 -0.146 0.000 1.182 110 Y CB -0.225 38.140 38.460 -0.158 0.000 0.983 110 Y HN 0.035 nan 8.280 nan 0.000 0.524 111 N N 0.285 118.953 118.700 -0.053 0.000 2.272 111 N HA -0.172 4.569 4.740 0.003 0.000 0.185 111 N C 0.793 176.230 175.510 -0.121 0.000 1.014 111 N CA 1.526 54.526 53.050 -0.084 0.000 0.870 111 N CB -0.273 38.184 38.487 -0.050 0.000 0.975 111 N HN 0.596 nan 8.380 nan 0.000 0.433 112 Q N 0.070 119.794 119.800 -0.126 0.000 2.188 112 Q HA 0.115 4.456 4.340 0.003 0.000 0.212 112 Q C -0.755 175.162 176.000 -0.139 0.000 0.846 112 Q CA -0.243 55.492 55.803 -0.113 0.000 0.989 112 Q CB 0.628 29.313 28.738 -0.087 0.000 1.114 112 Q HN 0.058 nan 8.270 nan 0.000 0.488 113 D N 0.216 120.481 120.400 -0.226 0.000 2.945 113 D HA -0.174 4.468 4.640 0.003 0.000 0.225 113 D C -0.861 175.317 176.300 -0.204 0.000 1.158 113 D CA 0.865 54.704 54.000 -0.269 0.000 0.805 113 D CB -1.220 39.482 40.800 -0.164 0.000 1.098 113 D HN 0.364 nan 8.370 nan 0.000 0.426 114 L N 1.326 122.451 121.223 -0.164 0.000 2.302 114 L HA 0.303 4.644 4.340 0.003 0.000 0.285 114 L C 2.148 178.941 176.870 -0.127 0.000 1.090 114 L CA -0.492 54.276 54.840 -0.121 0.000 0.866 114 L CB 0.260 42.269 42.059 -0.083 0.000 1.244 114 L HN 0.107 nan 8.230 nan 0.000 0.435 115 I N -0.882 119.551 120.570 -0.228 0.000 2.928 115 I HA 0.005 4.177 4.170 0.003 0.000 0.266 115 I C 0.101 175.987 176.117 -0.384 0.000 1.234 115 I CA 0.522 61.643 61.300 -0.297 0.000 1.483 115 I CB -0.137 37.594 38.000 -0.449 0.000 1.097 115 I HN 0.249 nan 8.210 nan 0.000 0.455 116 Y N 1.592 121.807 120.300 -0.142 0.000 2.341 116 Y HA 0.594 5.146 4.550 0.002 0.000 0.337 116 Y C -0.105 175.672 175.900 -0.204 0.000 1.014 116 Y CA -0.848 57.136 58.100 -0.194 0.000 1.111 116 Y CB 1.818 40.119 38.460 -0.266 0.000 1.194 116 Y HN -0.068 nan 8.280 nan 0.000 0.462 117 T N 2.177 116.708 114.554 -0.040 0.000 2.956 117 T HA 0.329 4.681 4.350 0.003 0.000 0.312 117 T C -1.361 173.271 174.700 -0.113 0.000 1.151 117 T CA -0.991 61.052 62.100 -0.095 0.000 1.024 117 T CB 0.833 69.691 68.868 -0.016 0.000 1.140 117 T HN 0.211 nan 8.240 nan 0.000 0.473 118 Y N 1.074 121.456 120.300 0.137 0.000 2.307 118 Y HA 0.576 5.127 4.550 0.002 0.000 0.324 118 Y C 1.036 177.034 175.900 0.164 0.000 1.238 118 Y CA -0.748 57.448 58.100 0.161 0.000 1.280 118 Y CB 1.403 39.951 38.460 0.146 0.000 1.248 118 Y HN 0.593 nan 8.280 nan 0.000 0.508 119 S N 1.720 117.676 115.700 0.426 0.000 2.389 119 S HA 0.510 4.981 4.470 0.003 0.000 0.201 119 S C 0.428 175.239 174.600 0.351 0.000 1.422 119 S CA 0.061 58.463 58.200 0.337 0.000 1.216 119 S CB -0.695 62.687 63.200 0.303 0.000 1.130 119 S HN 1.206 nan 8.310 nan 0.000 0.465 120 G N 4.172 113.121 108.800 0.248 0.000 2.646 120 G HA2 -0.325 3.637 3.960 0.003 0.000 0.324 120 G HA3 -0.325 3.637 3.960 0.003 0.000 0.324 120 G C 0.798 175.785 174.900 0.144 0.000 1.195 120 G CA 0.806 46.005 45.100 0.165 0.000 0.976 120 G HN 0.741 nan 8.290 nan 0.000 0.546 121 L N 0.320 121.598 121.223 0.091 0.000 2.217 121 L HA 0.274 4.616 4.340 0.003 0.000 0.211 121 L C 1.436 178.411 176.870 0.176 0.000 1.107 121 L CA 0.212 55.099 54.840 0.077 0.000 0.783 121 L CB -0.309 41.762 42.059 0.021 0.000 0.919 121 L HN 0.240 nan 8.230 nan 0.000 0.442 122 F N 0.146 120.291 119.950 0.325 0.000 2.382 122 F HA 0.279 4.807 4.527 0.002 0.000 0.331 122 F C 0.206 176.226 175.800 0.367 0.000 1.121 122 F CA -0.897 57.288 58.000 0.308 0.000 1.183 122 F CB 0.906 40.002 39.000 0.159 0.000 1.207 122 F HN -0.234 nan 8.300 nan 0.000 0.555 123 L N 3.784 125.339 121.223 0.555 0.000 2.262 123 L HA 0.499 4.840 4.340 0.003 0.000 0.288 123 L C -0.885 176.129 176.870 0.241 0.000 1.035 123 L CA -0.451 54.605 54.840 0.360 0.000 0.820 123 L CB 0.695 42.907 42.059 0.255 0.000 1.204 123 L HN 0.324 nan 8.230 nan 0.000 0.424 124 V N 5.122 125.128 119.914 0.152 0.000 2.432 124 V HA 0.725 4.847 4.120 0.003 0.000 0.275 124 V C 0.483 176.617 176.094 0.067 0.000 1.043 124 V CA -0.202 62.139 62.300 0.067 0.000 0.925 124 V CB 1.022 32.856 31.823 0.018 0.000 0.985 124 V HN 0.935 nan 8.190 nan 0.000 0.466 125 A N 5.361 128.205 122.820 0.039 0.000 2.323 125 A HA 0.738 5.059 4.320 0.003 0.000 0.305 125 A C -0.687 176.821 177.584 -0.126 0.000 1.275 125 A CA -0.474 51.546 52.037 -0.029 0.000 0.804 125 A CB 1.038 20.090 19.000 0.087 0.000 1.152 125 A HN 0.625 nan 8.150 nan 0.000 0.487 126 V N 3.287 123.097 119.914 -0.174 0.000 2.432 126 V HA 0.171 4.292 4.120 0.003 0.000 0.275 126 V C 0.610 176.613 176.094 -0.152 0.000 1.043 126 V CA -0.982 61.218 62.300 -0.167 0.000 0.925 126 V CB 1.139 32.828 31.823 -0.223 0.000 0.985 126 V HN 0.893 nan 8.190 nan 0.000 0.466 127 N N 7.529 126.100 118.700 -0.214 0.000 2.411 127 N HA 0.068 4.810 4.740 0.003 0.000 0.261 127 N C -1.342 174.041 175.510 -0.212 0.000 1.248 127 N CA -1.376 51.466 53.050 -0.346 0.000 0.885 127 N CB 1.543 39.635 38.487 -0.658 0.000 1.062 127 N HN 0.348 nan 8.380 nan 0.000 0.471 128 P HA 0.045 nan 4.420 nan 0.000 0.224 128 P C -0.080 177.249 177.300 0.048 0.000 1.157 128 P CA 0.432 63.510 63.100 -0.036 0.000 0.799 128 P CB 0.112 31.737 31.700 -0.125 0.000 0.809 129 F N -0.461 119.508 119.950 0.032 0.000 3.074 129 F HA -0.256 4.272 4.527 0.002 0.000 0.289 129 F C 0.607 176.408 175.800 0.003 0.000 0.863 129 F CA 0.687 58.699 58.000 0.020 0.000 1.121 129 F CB -1.568 37.452 39.000 0.034 0.000 1.169 129 F HN 0.142 nan 8.300 nan 0.000 0.570 130 K N -0.812 119.657 120.400 0.116 0.000 2.639 130 K HA 0.519 4.840 4.320 0.003 0.000 0.279 130 K C -1.010 175.598 176.600 0.014 0.000 0.976 130 K CA -1.299 55.025 56.287 0.062 0.000 0.861 130 K CB 1.330 33.853 32.500 0.038 0.000 1.436 130 K HN -0.109 nan 8.250 nan 0.000 0.400 131 R N 2.118 122.626 120.500 0.012 0.000 2.389 131 R HA 0.385 4.727 4.340 0.003 0.000 0.295 131 R C -0.227 176.047 176.300 -0.044 0.000 1.075 131 R CA -0.278 55.824 56.100 0.003 0.000 1.005 131 R CB -0.121 30.187 30.300 0.013 0.000 0.987 131 R HN 0.561 nan 8.270 nan 0.000 0.452 132 I N 5.005 125.534 120.570 -0.068 0.000 2.418 132 I HA 0.218 4.389 4.170 0.003 0.000 0.287 132 I C -1.793 174.164 176.117 -0.267 0.000 1.008 132 I CA -2.217 58.961 61.300 -0.203 0.000 1.104 132 I CB 2.458 40.331 38.000 -0.213 0.000 1.264 132 I HN 0.258 nan 8.210 nan 0.000 0.438 133 P HA 0.135 nan 4.420 nan 0.000 0.235 133 P C 0.369 177.461 177.300 -0.347 0.000 1.765 133 P CA 0.233 63.138 63.100 -0.324 0.000 1.034 133 P CB -0.543 30.938 31.700 -0.365 0.000 1.984 134 I N -3.869 116.452 120.570 -0.416 0.000 3.936 134 I HA 0.310 4.482 4.170 0.003 0.000 0.330 134 I C -0.404 175.477 176.117 -0.393 0.000 1.509 134 I CA -0.573 60.496 61.300 -0.384 0.000 1.126 134 I CB -0.087 37.644 38.000 -0.449 0.000 1.115 134 I HN -0.162 nan 8.210 nan 0.000 0.424 135 Y N 1.486 121.872 120.300 0.142 0.000 2.698 135 Y HA 0.298 4.850 4.550 0.003 0.000 0.261 135 Y C 1.252 177.356 175.900 0.340 0.000 1.104 135 Y CA -0.877 57.378 58.100 0.258 0.000 1.145 135 Y CB -0.097 38.460 38.460 0.162 0.000 1.191 135 Y HN 0.176 nan 8.280 nan 0.000 0.564 136 T N -3.516 111.250 114.554 0.353 0.000 2.816 136 T HA 0.087 4.439 4.350 0.003 0.000 0.282 136 T C 1.255 176.101 174.700 0.243 0.000 0.993 136 T CA -0.443 61.808 62.100 0.251 0.000 0.994 136 T CB 1.335 70.302 68.868 0.166 0.000 1.025 136 T HN 0.182 nan 8.240 nan 0.000 0.529 137 Q N 0.252 120.139 119.800 0.144 0.000 2.181 137 Q HA -0.139 4.202 4.340 0.003 0.000 0.205 137 Q C 1.809 177.860 176.000 0.085 0.000 0.980 137 Q CA 1.890 57.741 55.803 0.079 0.000 0.862 137 Q CB -0.503 28.257 28.738 0.036 0.000 0.905 137 Q HN 0.838 nan 8.270 nan 0.000 0.429 138 E N -0.936 119.332 120.200 0.112 0.000 2.150 138 E HA -0.114 4.238 4.350 0.003 0.000 0.193 138 E C 1.673 178.367 176.600 0.157 0.000 0.985 138 E CA 1.142 57.606 56.400 0.106 0.000 0.814 138 E CB -0.136 29.625 29.700 0.101 0.000 0.752 138 E HN 0.354 nan 8.360 nan 0.000 0.466 139 M N 0.014 119.766 119.600 0.253 0.000 2.156 139 M HA -0.063 4.419 4.480 0.003 0.000 0.264 139 M C 2.212 178.811 176.300 0.500 0.000 1.067 139 M CA 0.903 56.446 55.300 0.405 0.000 1.131 139 M CB -0.630 32.255 32.600 0.474 0.000 1.368 139 M HN 0.040 nan 8.290 nan 0.000 0.416 140 V N 1.223 121.325 119.914 0.313 0.000 2.282 140 V HA -0.297 3.824 4.120 0.003 0.000 0.249 140 V C 1.901 178.047 176.094 0.087 0.000 1.057 140 V CA 1.983 64.286 62.300 0.005 0.000 1.032 140 V CB -0.855 30.794 31.823 -0.291 0.000 0.645 140 V HN 0.409 nan 8.190 nan 0.000 0.447 141 D N -0.371 120.055 120.400 0.043 0.000 2.264 141 D HA -0.083 4.559 4.640 0.003 0.000 0.208 141 D C 2.038 178.344 176.300 0.010 0.000 0.966 141 D CA 1.121 55.124 54.000 0.005 0.000 0.864 141 D CB 0.004 40.795 40.800 -0.016 0.000 0.933 141 D HN 0.426 nan 8.370 nan 0.000 0.499 142 I N -0.197 120.380 120.570 0.011 0.000 2.439 142 I HA -0.177 3.994 4.170 0.003 0.000 0.251 142 I C 1.798 177.779 176.117 -0.227 0.000 1.139 142 I CA 0.684 61.875 61.300 -0.182 0.000 1.438 142 I CB -0.102 37.695 38.000 -0.337 0.000 1.085 142 I HN -0.128 nan 8.210 nan 0.000 0.427 143 F N 1.121 121.108 119.950 0.061 0.000 2.512 143 F HA 0.057 4.585 4.527 0.002 0.000 0.296 143 F C 1.194 177.072 175.800 0.130 0.000 1.110 143 F CA 0.241 58.301 58.000 0.099 0.000 1.446 143 F CB -0.051 39.036 39.000 0.144 0.000 1.092 143 F HN -0.228 nan 8.300 nan 0.000 0.554 144 K N 0.969 121.530 120.400 0.270 0.000 2.437 144 K HA 0.086 4.407 4.320 0.003 0.000 0.277 144 K C 1.155 177.832 176.600 0.128 0.000 1.073 144 K CA 0.909 57.308 56.287 0.186 0.000 1.105 144 K CB -0.332 32.202 32.500 0.057 0.000 0.881 144 K HN 0.417 nan 8.250 nan 0.000 0.475 145 G N 2.833 111.723 108.800 0.150 0.000 2.162 145 G HA2 -0.267 3.695 3.960 0.003 0.000 0.260 145 G HA3 -0.267 3.695 3.960 0.003 0.000 0.260 145 G C -0.102 174.843 174.900 0.075 0.000 0.976 145 G CA -0.112 45.047 45.100 0.098 0.000 0.655 145 G HN 0.521 nan 8.290 nan 0.000 0.533 146 R N 0.238 120.793 120.500 0.092 0.000 2.457 146 R HA 0.555 4.896 4.340 0.003 0.000 0.284 146 R C 0.687 177.040 176.300 0.089 0.000 1.024 146 R CA -0.738 55.401 56.100 0.065 0.000 1.025 146 R CB 0.810 31.130 30.300 0.033 0.000 1.063 146 R HN 0.335 nan 8.270 nan 0.000 0.493 147 R N 0.925 121.465 120.500 0.067 0.000 2.582 147 R HA 0.095 4.436 4.340 0.003 0.000 0.271 147 R C 1.615 177.970 176.300 0.091 0.000 1.078 147 R CA -0.249 55.890 56.100 0.065 0.000 1.127 147 R CB 0.696 31.023 30.300 0.046 0.000 1.038 147 R HN 0.630 nan 8.270 nan 0.000 0.500 148 R N 2.043 122.586 120.500 0.072 0.000 2.119 148 R HA -0.269 4.073 4.340 0.003 0.000 0.246 148 R C 1.113 177.483 176.300 0.116 0.000 1.146 148 R CA 2.721 58.866 56.100 0.075 0.000 0.962 148 R CB -0.249 30.009 30.300 -0.071 0.000 0.863 148 R HN 0.788 nan 8.270 nan 0.000 0.442 149 N N -0.621 118.123 118.700 0.074 0.000 2.457 149 N HA -0.088 4.653 4.740 0.003 0.000 0.180 149 N C 1.232 176.804 175.510 0.104 0.000 1.050 149 N CA 0.919 54.021 53.050 0.087 0.000 0.906 149 N CB 0.028 38.547 38.487 0.054 0.000 0.968 149 N HN 0.411 nan 8.380 nan 0.000 0.445 150 E N -0.089 120.168 120.200 0.094 0.000 2.216 150 E HA 0.003 4.355 4.350 0.003 0.000 0.192 150 E C 0.155 176.799 176.600 0.074 0.000 0.988 150 E CA 0.521 56.965 56.400 0.073 0.000 0.834 150 E CB 0.376 30.102 29.700 0.044 0.000 0.772 150 E HN 0.376 nan 8.360 nan 0.000 0.479 151 V N -2.753 117.242 119.914 0.135 0.000 3.126 151 V HA 0.754 4.876 4.120 0.003 0.000 0.314 151 V C -0.048 176.225 176.094 0.298 0.000 1.138 151 V CA -1.181 61.225 62.300 0.178 0.000 1.034 151 V CB 1.377 33.239 31.823 0.065 0.000 1.075 151 V HN -0.021 nan 8.190 nan 0.000 0.442 152 A N 1.223 124.238 122.820 0.325 0.000 2.366 152 A HA 0.679 5.001 4.320 0.003 0.000 0.249 152 A C -2.372 175.400 177.584 0.314 0.000 1.084 152 A CA -1.188 50.991 52.037 0.236 0.000 0.794 152 A CB -0.755 18.270 19.000 0.042 0.000 1.034 152 A HN 0.802 nan 8.150 nan 0.000 0.491 153 P HA 0.218 nan 4.420 nan 0.000 0.268 153 P C -0.438 176.774 177.300 -0.146 0.000 1.204 153 P CA 0.840 63.810 63.100 -0.216 0.000 0.768 153 P CB 0.329 31.709 31.700 -0.535 0.000 0.842 154 H N 1.888 120.640 119.070 -0.531 0.000 3.060 154 H HA 0.120 4.678 4.556 0.002 0.000 0.330 154 H C 0.413 175.147 175.328 -0.990 0.000 1.305 154 H CA -0.549 54.872 56.048 -1.045 0.000 1.209 154 H CB 1.279 30.494 29.762 -0.913 0.000 1.913 154 H HN 0.187 nan 8.280 nan 0.000 0.534 155 I N 2.974 122.889 120.570 -1.092 0.000 2.264 155 I HA -0.185 3.986 4.170 0.003 0.000 0.248 155 I C 1.826 177.843 176.117 -0.166 0.000 1.111 155 I CA 1.448 62.484 61.300 -0.440 0.000 1.382 155 I CB -0.556 37.278 38.000 -0.277 0.000 1.060 155 I HN 0.577 nan 8.210 nan 0.000 0.418 156 F N 0.166 119.968 119.950 -0.246 0.000 2.161 156 F HA -0.260 4.269 4.527 0.003 0.000 0.300 156 F C 2.475 177.740 175.800 -0.891 0.000 1.089 156 F CA 0.488 57.974 58.000 -0.856 0.000 1.282 156 F CB -0.552 37.734 39.000 -1.189 0.000 1.010 156 F HN 0.187 nan 8.300 nan 0.000 0.485 157 A N 0.273 122.809 122.820 -0.472 0.000 1.897 157 A HA -0.150 4.172 4.320 0.003 0.000 0.215 157 A C 2.094 179.636 177.584 -0.070 0.000 1.181 157 A CA 1.070 53.039 52.037 -0.115 0.000 0.620 157 A CB -0.861 18.226 19.000 0.144 0.000 0.821 157 A HN 0.446 nan 8.150 nan 0.000 0.443 158 I N -0.237 120.288 120.570 -0.074 0.000 2.394 158 I HA -0.178 3.993 4.170 0.003 0.000 0.251 158 I C 2.240 178.257 176.117 -0.167 0.000 1.136 158 I CA 1.275 62.544 61.300 -0.052 0.000 1.425 158 I CB 0.056 38.083 38.000 0.046 0.000 1.079 158 I HN 0.264 nan 8.210 nan 0.000 0.425 159 S N 0.112 115.692 115.700 -0.201 0.000 2.382 159 S HA -0.249 4.222 4.470 0.003 0.000 0.228 159 S C 1.554 176.071 174.600 -0.138 0.000 1.027 159 S CA 1.812 59.896 58.200 -0.193 0.000 0.991 159 S CB -0.348 62.694 63.200 -0.263 0.000 0.823 159 S HN 0.566 nan 8.310 nan 0.000 0.469 160 D N 0.771 121.055 120.400 -0.193 0.000 2.123 160 D HA -0.045 4.597 4.640 0.003 0.000 0.200 160 D C 1.828 178.166 176.300 0.064 0.000 0.976 160 D CA 0.648 54.682 54.000 0.057 0.000 0.831 160 D CB -0.043 40.824 40.800 0.111 0.000 0.974 160 D HN 0.094 nan 8.370 nan 0.000 0.469 161 V N 0.751 120.649 119.914 -0.026 0.000 2.287 161 V HA -0.282 3.840 4.120 0.003 0.000 0.248 161 V C 2.490 178.518 176.094 -0.110 0.000 1.053 161 V CA 1.907 64.178 62.300 -0.047 0.000 1.027 161 V CB -0.862 30.932 31.823 -0.048 0.000 0.646 161 V HN 0.351 nan 8.190 nan 0.000 0.447 162 A N -1.076 121.586 122.820 -0.262 0.000 1.883 162 A HA -0.304 4.017 4.320 0.003 0.000 0.217 162 A C 2.161 179.704 177.584 -0.068 0.000 1.186 162 A CA 2.327 54.206 52.037 -0.265 0.000 0.624 162 A CB -0.846 17.958 19.000 -0.327 0.000 0.822 162 A HN 0.664 nan 8.150 nan 0.000 0.444 163 Y N 0.538 120.750 120.300 -0.146 0.000 2.145 163 Y HA -0.204 4.347 4.550 0.002 0.000 0.286 163 Y C 2.492 178.282 175.900 -0.184 0.000 1.145 163 Y CA 2.041 60.032 58.100 -0.182 0.000 1.148 163 Y CB -0.086 38.310 38.460 -0.106 0.000 0.981 163 Y HN 0.180 nan 8.280 nan 0.000 0.507 164 R N -0.191 120.234 120.500 -0.125 0.000 2.081 164 R HA -0.106 4.236 4.340 0.003 0.000 0.235 164 R C 2.452 178.621 176.300 -0.218 0.000 1.131 164 R CA 1.292 57.278 56.100 -0.191 0.000 0.960 164 R CB -1.285 28.985 30.300 -0.049 0.000 0.856 164 R HN 0.298 nan 8.270 nan 0.000 0.436 165 S N 1.423 117.037 115.700 -0.143 0.000 2.356 165 S HA -0.120 4.351 4.470 0.003 0.000 0.223 165 S C 1.869 176.353 174.600 -0.193 0.000 1.032 165 S CA 1.361 59.496 58.200 -0.109 0.000 1.005 165 S CB -0.202 62.996 63.200 -0.003 0.000 0.867 165 S HN 0.322 nan 8.310 nan 0.000 0.449 166 M N 0.912 120.354 119.600 -0.263 0.000 2.108 166 M HA -0.144 4.338 4.480 0.003 0.000 0.261 166 M C 1.624 177.608 176.300 -0.526 0.000 1.066 166 M CA 1.643 56.718 55.300 -0.375 0.000 1.107 166 M CB -0.282 32.071 32.600 -0.412 0.000 1.356 166 M HN 0.279 nan 8.290 nan 0.000 0.406 167 L N -0.542 120.347 121.223 -0.558 0.000 2.131 167 L HA -0.141 4.200 4.340 0.003 0.000 0.206 167 L C 1.778 178.426 176.870 -0.371 0.000 1.087 167 L CA 0.693 55.211 54.840 -0.537 0.000 0.767 167 L CB -0.730 40.996 42.059 -0.556 0.000 0.917 167 L HN 0.228 nan 8.230 nan 0.000 0.441 168 D N -0.252 119.974 120.400 -0.289 0.000 2.213 168 D HA -0.107 4.534 4.640 0.003 0.000 0.205 168 D C 1.327 177.528 176.300 -0.165 0.000 0.961 168 D CA 0.980 54.864 54.000 -0.194 0.000 0.853 168 D CB 0.022 40.741 40.800 -0.136 0.000 0.967 168 D HN 0.257 nan 8.370 nan 0.000 0.496 169 D N -0.022 120.272 120.400 -0.177 0.000 2.407 169 D HA 0.032 4.673 4.640 0.003 0.000 0.208 169 D C 0.195 176.409 176.300 -0.144 0.000 1.083 169 D CA 0.005 53.931 54.000 -0.124 0.000 0.844 169 D CB 0.498 41.249 40.800 -0.082 0.000 0.967 169 D HN -0.083 nan 8.370 nan 0.000 0.506 170 R N 0.894 121.221 120.500 -0.287 0.000 3.416 170 R HA -0.225 4.117 4.340 0.003 0.000 0.263 170 R C 0.093 176.341 176.300 -0.088 0.000 1.053 170 R CA 0.385 56.236 56.100 -0.416 0.000 0.705 170 R CB -3.082 27.136 30.300 -0.137 0.000 1.124 170 R HN 0.426 nan 8.270 nan 0.000 0.444 171 Q N 0.682 120.412 119.800 -0.117 0.000 2.353 171 Q HA 0.334 4.675 4.340 0.003 0.000 0.268 171 Q C -0.456 175.519 176.000 -0.041 0.000 1.045 171 Q CA -0.787 55.014 55.803 -0.002 0.000 0.811 171 Q CB 1.383 30.109 28.738 -0.018 0.000 1.305 171 Q HN 0.122 nan 8.270 nan 0.000 0.447 172 N N 2.488 121.144 118.700 -0.073 0.000 2.415 172 N HA 0.097 4.838 4.740 0.003 0.000 0.248 172 N C -0.602 174.780 175.510 -0.212 0.000 1.271 172 N CA 0.345 53.201 53.050 -0.325 0.000 0.913 172 N CB 0.714 38.721 38.487 -0.800 0.000 1.129 172 N HN 0.555 nan 8.380 nan 0.000 0.444 173 Q N -0.248 119.426 119.800 -0.209 0.000 2.528 173 Q HA 0.601 4.942 4.340 0.003 0.000 0.289 173 Q C -0.769 175.315 176.000 0.141 0.000 1.091 173 Q CA -0.833 54.986 55.803 0.025 0.000 0.797 173 Q CB 2.039 30.852 28.738 0.125 0.000 1.466 173 Q HN 0.731 nan 8.270 nan 0.000 0.436 174 S N -0.126 115.700 115.700 0.210 0.000 2.556 174 S HA 0.777 5.249 4.470 0.003 0.000 0.271 174 S C -1.217 173.505 174.600 0.203 0.000 1.135 174 S CA -0.755 57.596 58.200 0.252 0.000 0.858 174 S CB 1.266 64.638 63.200 0.287 0.000 1.114 174 S HN 0.360 nan 8.310 nan 0.000 0.468 175 L N 1.646 122.976 121.223 0.178 0.000 2.376 175 L HA 0.583 4.924 4.340 0.003 0.000 0.275 175 L C -1.480 175.452 176.870 0.103 0.000 0.987 175 L CA -0.376 54.534 54.840 0.117 0.000 0.828 175 L CB 1.601 43.728 42.059 0.114 0.000 1.249 175 L HN 0.686 nan 8.230 nan 0.000 0.409 176 L N 5.534 126.778 121.223 0.035 0.000 2.280 176 L HA 0.519 4.860 4.340 0.003 0.000 0.287 176 L C -0.495 176.464 176.870 0.148 0.000 1.023 176 L CA 0.117 55.021 54.840 0.106 0.000 0.819 176 L CB 1.133 43.263 42.059 0.118 0.000 1.212 176 L HN 0.397 nan 8.230 nan 0.000 0.420 177 I N 3.329 123.977 120.570 0.130 0.000 2.390 177 I HA 0.446 4.618 4.170 0.003 0.000 0.283 177 I C 0.069 176.237 176.117 0.085 0.000 1.016 177 I CA -0.227 61.141 61.300 0.112 0.000 1.151 177 I CB 1.244 39.295 38.000 0.086 0.000 1.293 177 I HN 0.639 nan 8.210 nan 0.000 0.458 178 T N 1.688 116.293 114.554 0.084 0.000 2.907 178 T HA 0.989 5.340 4.350 0.003 0.000 0.290 178 T C -0.124 174.589 174.700 0.021 0.000 1.066 178 T CA -0.766 61.361 62.100 0.044 0.000 1.012 178 T CB 2.558 71.452 68.868 0.043 0.000 1.184 178 T HN 0.903 nan 8.240 nan 0.000 0.522 179 G N 0.149 108.952 108.800 0.006 0.000 2.368 179 G HA2 0.330 4.291 3.960 0.003 0.000 0.302 179 G HA3 0.330 4.291 3.960 0.003 0.000 0.302 179 G C -1.402 173.504 174.900 0.010 0.000 1.329 179 G CA -0.923 44.177 45.100 0.001 0.000 0.935 179 G HN 0.910 nan 8.290 nan 0.000 0.590 180 E N -0.034 120.176 120.200 0.017 0.000 2.409 180 E HA 0.383 4.734 4.350 0.003 0.000 0.257 180 E C 0.529 177.156 176.600 0.046 0.000 1.150 180 E CA -0.003 56.421 56.400 0.040 0.000 0.942 180 E CB 0.757 30.488 29.700 0.053 0.000 0.979 180 E HN 0.483 nan 8.360 nan 0.000 0.447 181 S N -0.010 115.735 115.700 0.074 0.000 2.544 181 S HA 0.217 4.689 4.470 0.003 0.000 0.290 181 S C 1.097 175.740 174.600 0.072 0.000 1.276 181 S CA 0.840 59.083 58.200 0.071 0.000 1.075 181 S CB -0.398 62.856 63.200 0.090 0.000 0.849 181 S HN 0.788 nan 8.310 nan 0.000 0.494 182 G N 3.286 112.124 108.800 0.063 0.000 2.179 182 G HA2 -0.256 3.705 3.960 0.003 0.000 0.260 182 G HA3 -0.256 3.705 3.960 0.003 0.000 0.260 182 G C 0.913 175.838 174.900 0.042 0.000 0.977 182 G CA 0.389 45.545 45.100 0.094 0.000 0.641 182 G HN 1.383 nan 8.290 nan 0.000 0.533 183 A N -0.335 122.486 122.820 0.002 0.000 2.014 183 A HA 0.510 4.831 4.320 0.003 0.000 0.218 183 A C 2.567 180.086 177.584 -0.107 0.000 1.163 183 A CA 2.363 54.369 52.037 -0.052 0.000 0.652 183 A CB -0.335 18.645 19.000 -0.033 0.000 0.808 183 A HN 2.479 nan 8.150 nan 0.000 0.449 184 G N -1.352 107.399 108.800 -0.080 0.000 2.164 184 G HA2 -0.164 3.797 3.960 0.003 0.000 0.154 184 G HA3 -0.164 3.797 3.960 0.003 0.000 0.154 184 G C 0.776 175.648 174.900 -0.047 0.000 1.014 184 G CA 0.462 45.506 45.100 -0.092 0.000 0.683 184 G HN 0.406 nan 8.290 nan 0.000 0.500 185 K N -0.074 120.313 120.400 -0.023 0.000 1.991 185 K HA -0.090 4.231 4.320 0.003 0.000 0.212 185 K C 2.490 179.087 176.600 -0.005 0.000 1.049 185 K CA 2.023 58.307 56.287 -0.004 0.000 0.932 185 K CB -0.349 32.151 32.500 -0.001 0.000 0.717 185 K HN 0.278 nan 8.250 nan 0.000 0.441 186 T N 1.459 116.005 114.554 -0.013 0.000 2.867 186 T HA -0.083 4.268 4.350 0.003 0.000 0.268 186 T C 1.591 176.283 174.700 -0.013 0.000 1.057 186 T CA 1.015 63.111 62.100 -0.008 0.000 1.136 186 T CB -0.062 68.804 68.868 -0.003 0.000 0.874 186 T HN 0.189 nan 8.240 nan 0.000 0.466 187 E N 1.571 121.748 120.200 -0.037 0.000 2.047 187 E HA -0.047 4.305 4.350 0.003 0.000 0.191 187 E C 2.231 178.776 176.600 -0.093 0.000 0.987 187 E CA 0.763 57.115 56.400 -0.080 0.000 0.799 187 E CB -0.400 29.229 29.700 -0.119 0.000 0.752 187 E HN 0.515 nan 8.360 nan 0.000 0.449 188 N N 0.307 118.976 118.700 -0.052 0.000 2.142 188 N HA -0.088 4.653 4.740 0.003 0.000 0.186 188 N C 1.817 177.333 175.510 0.010 0.000 1.023 188 N CA 1.342 54.381 53.050 -0.019 0.000 0.852 188 N CB -0.195 38.312 38.487 0.034 0.000 0.998 188 N HN 0.124 nan 8.380 nan 0.000 0.424 189 T N 1.937 116.502 114.554 0.017 0.000 2.665 189 T HA -0.134 4.218 4.350 0.003 0.000 0.268 189 T C 1.833 176.556 174.700 0.038 0.000 1.035 189 T CA 1.270 63.390 62.100 0.033 0.000 1.151 189 T CB -0.100 68.785 68.868 0.028 0.000 0.862 189 T HN 0.305 nan 8.240 nan 0.000 0.438 190 K N 0.529 120.941 120.400 0.020 0.000 2.209 190 K HA -0.042 4.279 4.320 0.003 0.000 0.204 190 K C 2.358 178.992 176.600 0.056 0.000 1.048 190 K CA 0.734 57.038 56.287 0.029 0.000 0.940 190 K CB 0.023 32.530 32.500 0.012 0.000 0.729 190 K HN 0.143 nan 8.250 nan 0.000 0.451 191 K N 0.652 121.083 120.400 0.052 0.000 2.103 191 K HA -0.046 4.276 4.320 0.003 0.000 0.204 191 K C 2.131 178.910 176.600 0.299 0.000 1.052 191 K CA 0.739 57.134 56.287 0.180 0.000 0.945 191 K CB -0.426 32.121 32.500 0.080 0.000 0.722 191 K HN -0.026 nan 8.250 nan 0.000 0.443 192 V N 2.012 122.037 119.914 0.186 0.000 2.343 192 V HA -0.217 3.904 4.120 0.003 0.000 0.247 192 V C 2.345 178.546 176.094 0.177 0.000 1.051 192 V CA 1.508 63.916 62.300 0.180 0.000 1.036 192 V CB -0.400 31.490 31.823 0.111 0.000 0.654 192 V HN 0.192 nan 8.190 nan 0.000 0.451 193 I N -0.146 120.497 120.570 0.123 0.000 2.315 193 I HA -0.273 3.898 4.170 0.003 0.000 0.248 193 I C 2.666 178.830 176.117 0.077 0.000 1.117 193 I CA 1.789 63.141 61.300 0.087 0.000 1.404 193 I CB -0.455 37.576 38.000 0.052 0.000 1.071 193 I HN 0.439 nan 8.210 nan 0.000 0.419 194 Q N 0.816 120.676 119.800 0.100 0.000 2.050 194 Q HA -0.281 4.060 4.340 0.003 0.000 0.202 194 Q C 2.398 178.399 176.000 0.002 0.000 0.980 194 Q CA 1.868 57.710 55.803 0.066 0.000 0.840 194 Q CB -0.393 28.419 28.738 0.122 0.000 0.898 194 Q HN 0.528 nan 8.270 nan 0.000 0.424 195 Y N 1.179 121.422 120.300 -0.095 0.000 2.128 195 Y HA -0.255 4.296 4.550 0.003 0.000 0.284 195 Y C 2.037 177.820 175.900 -0.196 0.000 1.154 195 Y CA 2.007 59.932 58.100 -0.292 0.000 1.149 195 Y CB -0.242 38.030 38.460 -0.313 0.000 0.976 195 Y HN 0.111 nan 8.280 nan 0.000 0.505 196 L N -0.547 120.716 121.223 0.068 0.000 2.027 196 L HA -0.205 4.137 4.340 0.003 0.000 0.206 196 L C 2.790 179.623 176.870 -0.062 0.000 1.074 196 L CA 1.148 55.999 54.840 0.019 0.000 0.745 196 L CB -1.083 41.092 42.059 0.193 0.000 0.898 196 L HN 0.292 nan 8.230 nan 0.000 0.433 197 A N -0.823 121.971 122.820 -0.044 0.000 1.978 197 A HA -0.240 4.081 4.320 0.003 0.000 0.220 197 A C 2.546 180.070 177.584 -0.100 0.000 1.170 197 A CA 2.183 54.189 52.037 -0.052 0.000 0.636 197 A CB -0.561 18.416 19.000 -0.039 0.000 0.810 197 A HN 0.425 nan 8.150 nan 0.000 0.448 198 S N -0.466 115.121 115.700 -0.188 0.000 2.356 198 S HA -0.101 4.370 4.470 0.003 0.000 0.219 198 S C 2.050 176.480 174.600 -0.283 0.000 1.036 198 S CA 1.630 59.688 58.200 -0.236 0.000 0.965 198 S CB -0.807 62.220 63.200 -0.288 0.000 0.864 198 S HN 0.987 nan 8.310 nan 0.000 0.471 199 V N 0.004 119.637 119.914 -0.467 0.000 2.626 199 V HA 0.302 4.423 4.120 0.003 0.000 0.252 199 V C 1.931 177.887 176.094 -0.230 0.000 1.067 199 V CA 1.655 63.698 62.300 -0.427 0.000 1.081 199 V CB -0.995 30.461 31.823 -0.611 0.000 0.686 199 V HN 0.556 nan 8.190 nan 0.000 0.468 200 A N 0.054 122.792 122.820 -0.137 0.000 2.469 200 A HA 0.673 4.994 4.320 0.003 0.000 0.245 200 A C 1.295 179.069 177.584 0.317 0.000 1.221 200 A CA 0.416 52.556 52.037 0.172 0.000 0.946 200 A CB -0.430 18.726 19.000 0.260 0.000 1.049 200 A HN 0.745 nan 8.150 nan 0.000 0.529 201 G N -0.318 108.542 108.800 0.100 0.000 2.539 201 G HA2 0.450 4.412 3.960 0.003 0.000 0.258 201 G HA3 0.450 4.412 3.960 0.003 0.000 0.258 201 G C -0.066 174.787 174.900 -0.079 0.000 1.202 201 G CA -0.661 44.455 45.100 0.027 0.000 0.851 201 G HN 0.350 nan 8.290 nan 0.000 0.556 202 R N 0.439 120.840 120.500 -0.166 0.000 3.559 202 R HA 0.339 4.681 4.340 0.003 0.000 0.273 202 R C 0.461 176.654 176.300 -0.177 0.000 1.423 202 R CA -0.058 55.865 56.100 -0.296 0.000 1.581 202 R CB 0.035 30.112 30.300 -0.372 0.000 1.338 202 R HN 0.625 nan 8.270 nan 0.000 0.667 203 N N -0.044 118.574 118.700 -0.136 0.000 2.362 203 N HA 0.366 5.107 4.740 0.003 0.000 0.298 203 N C 0.431 175.890 175.510 -0.084 0.000 1.048 203 N CA -0.289 52.704 53.050 -0.094 0.000 0.858 203 N CB 1.505 39.949 38.487 -0.072 0.000 1.218 203 N HN 0.460 nan 8.380 nan 0.000 0.488 204 Q N -0.652 119.106 119.800 -0.069 0.000 2.246 204 Q HA 0.758 5.100 4.340 0.003 0.000 0.222 204 Q C 1.020 176.996 176.000 -0.041 0.000 0.851 204 Q CA 0.800 56.571 55.803 -0.055 0.000 0.945 204 Q CB -0.006 28.700 28.738 -0.053 0.000 1.122 204 Q HN 1.416 nan 8.270 nan 0.000 0.508 210 V N 1.169 121.059 119.914 -0.042 0.000 2.261 210 V HA -0.150 3.972 4.120 0.003 0.000 0.246 210 V C 2.815 178.884 176.094 -0.042 0.000 1.047 210 V CA 2.162 64.439 62.300 -0.038 0.000 1.015 210 V CB -0.846 30.955 31.823 -0.037 0.000 0.642 210 V HN 0.654 nan 8.190 nan 0.000 0.446 211 L N 0.658 121.853 121.223 -0.047 0.000 1.990 211 L HA -0.230 4.111 4.340 0.003 0.000 0.213 211 L C 2.432 179.271 176.870 -0.051 0.000 1.072 211 L CA 2.185 56.994 54.840 -0.052 0.000 0.755 211 L CB -0.825 41.203 42.059 -0.052 0.000 0.889 211 L HN 0.339 nan 8.230 nan 0.000 0.432 212 E N -0.784 119.388 120.200 -0.048 0.000 2.097 212 E HA -0.295 4.057 4.350 0.003 0.000 0.196 212 E C 2.248 178.826 176.600 -0.036 0.000 1.000 212 E CA 1.632 58.005 56.400 -0.044 0.000 0.804 212 E CB -0.276 29.398 29.700 -0.044 0.000 0.740 212 E HN 0.530 nan 8.360 nan 0.000 0.454 213 Q N 0.344 120.125 119.800 -0.032 0.000 2.079 213 Q HA -0.143 4.198 4.340 0.003 0.000 0.200 213 Q C 2.027 178.015 176.000 -0.020 0.000 0.974 213 Q CA 1.552 57.341 55.803 -0.022 0.000 0.840 213 Q CB 0.052 28.778 28.738 -0.020 0.000 0.898 213 Q HN 0.353 nan 8.270 nan 0.000 0.430 214 Q N -0.351 119.431 119.800 -0.030 0.000 2.020 214 Q HA -0.154 4.188 4.340 0.003 0.000 0.202 214 Q C 2.102 178.083 176.000 -0.032 0.000 0.982 214 Q CA 1.511 57.295 55.803 -0.031 0.000 0.838 214 Q CB -0.209 28.500 28.738 -0.048 0.000 0.899 214 Q HN 0.434 nan 8.270 nan 0.000 0.423 215 I N 0.751 121.295 120.570 -0.042 0.000 2.194 215 I HA -0.326 3.845 4.170 0.003 0.000 0.246 215 I C 2.171 178.276 176.117 -0.021 0.000 1.093 215 I CA 1.237 62.511 61.300 -0.043 0.000 1.355 215 I CB -0.311 37.654 38.000 -0.057 0.000 1.046 215 I HN 0.234 nan 8.210 nan 0.000 0.413 216 L N -0.166 121.049 121.223 -0.013 0.000 2.093 216 L HA -0.190 4.152 4.340 0.003 0.000 0.208 216 L C 2.474 179.353 176.870 0.015 0.000 1.085 216 L CA 0.935 55.777 54.840 0.004 0.000 0.755 216 L CB -0.513 41.548 42.059 0.004 0.000 0.904 216 L HN 0.282 nan 8.230 nan 0.000 0.435 217 Q N -0.231 119.577 119.800 0.013 0.000 2.472 217 Q HA 0.016 4.357 4.340 0.003 0.000 0.208 217 Q C 2.269 178.291 176.000 0.036 0.000 0.958 217 Q CA 0.993 56.812 55.803 0.026 0.000 0.932 217 Q CB -0.182 28.570 28.738 0.024 0.000 1.007 217 Q HN 0.494 nan 8.270 nan 0.000 0.508 218 A N 1.821 124.654 122.820 0.022 0.000 1.858 218 A HA -0.201 4.120 4.320 0.003 0.000 0.216 218 A C 1.946 179.559 177.584 0.049 0.000 1.190 218 A CA 1.405 53.454 52.037 0.019 0.000 0.617 218 A CB -0.471 18.520 19.000 -0.014 0.000 0.827 218 A HN 0.336 nan 8.150 nan 0.000 0.443 219 N N -0.139 118.601 118.700 0.067 0.000 2.149 219 N HA -0.111 4.630 4.740 0.003 0.000 0.188 219 N C -0.874 174.725 175.510 0.149 0.000 1.019 219 N CA 1.726 54.846 53.050 0.117 0.000 0.857 219 N CB -1.180 37.372 38.487 0.108 0.000 0.997 219 N HN 0.336 nan 8.380 nan 0.000 0.426 220 P HA -0.057 nan 4.420 nan 0.000 0.217 220 P C 1.681 179.081 177.300 0.166 0.000 1.150 220 P CA 0.887 64.066 63.100 0.132 0.000 0.832 220 P CB -0.026 31.729 31.700 0.092 0.000 0.787 221 I N -1.107 119.546 120.570 0.138 0.000 2.142 221 I HA -0.225 3.947 4.170 0.003 0.000 0.240 221 I C 2.392 178.657 176.117 0.246 0.000 1.078 221 I CA 1.393 62.788 61.300 0.159 0.000 1.343 221 I CB -0.804 37.226 38.000 0.051 0.000 1.046 221 I HN -0.150 nan 8.210 nan 0.000 0.405 222 L N 0.234 121.558 121.223 0.169 0.000 2.083 222 L HA -0.195 4.147 4.340 0.003 0.000 0.209 222 L C 2.436 179.557 176.870 0.418 0.000 1.083 222 L CA 1.386 56.354 54.840 0.214 0.000 0.752 222 L CB -0.647 41.523 42.059 0.184 0.000 0.899 222 L HN 0.271 nan 8.230 nan 0.000 0.433 223 E N 0.214 120.648 120.200 0.389 0.000 2.204 223 E HA -0.164 4.188 4.350 0.003 0.000 0.194 223 E C 2.327 179.180 176.600 0.422 0.000 0.989 223 E CA 0.918 57.571 56.400 0.423 0.000 0.824 223 E CB -0.089 29.814 29.700 0.338 0.000 0.756 223 E HN 0.507 nan 8.360 nan 0.000 0.477 224 A N 0.431 123.466 122.820 0.358 0.000 1.933 224 A HA -0.132 4.189 4.320 0.003 0.000 0.218 224 A C 1.652 179.304 177.584 0.113 0.000 1.175 224 A CA 1.116 53.301 52.037 0.246 0.000 0.628 224 A CB -0.401 18.662 19.000 0.104 0.000 0.814 224 A HN 0.178 nan 8.150 nan 0.000 0.444 225 F N -1.323 118.761 119.950 0.223 0.000 2.714 225 F HA 0.264 4.792 4.527 0.002 0.000 0.294 225 F C 2.138 177.958 175.800 0.034 0.000 1.120 225 F CA 0.717 58.816 58.000 0.165 0.000 1.398 225 F CB 0.376 39.446 39.000 0.117 0.000 1.120 225 F HN 0.283 nan 8.300 nan 0.000 0.589 226 G N -1.204 107.794 108.800 0.330 0.000 3.274 226 G HA2 0.123 4.085 3.960 0.003 0.000 0.250 226 G HA3 0.123 4.085 3.960 0.003 0.000 0.250 226 G C -0.081 175.156 174.900 0.561 0.000 1.024 226 G CA -0.105 45.097 45.100 0.170 0.000 0.840 226 G HN 0.016 nan 8.290 nan 0.000 0.522 227 N N 0.354 119.303 118.700 0.415 0.000 2.404 227 N HA 0.824 5.566 4.740 0.003 0.000 0.297 227 N C -0.455 174.865 175.510 -0.317 0.000 1.163 227 N CA -0.089 53.042 53.050 0.135 0.000 0.864 227 N CB 2.125 40.704 38.487 0.152 0.000 1.247 227 N HN 0.226 nan 8.380 nan 0.000 0.510 228 A N -0.050 122.538 122.820 -0.386 0.000 2.612 228 A HA 0.458 4.780 4.320 0.003 0.000 0.293 228 A C -1.251 176.229 177.584 -0.172 0.000 1.075 228 A CA -0.756 51.016 52.037 -0.441 0.000 0.680 228 A CB 1.241 19.972 19.000 -0.449 0.000 1.279 228 A HN 0.467 nan 8.150 nan 0.000 0.411 229 K N 1.504 121.858 120.400 -0.076 0.000 2.312 229 K HA 0.460 4.781 4.320 0.003 0.000 0.287 229 K C 0.067 176.618 176.600 -0.080 0.000 1.062 229 K CA 0.566 56.842 56.287 -0.019 0.000 0.934 229 K CB 0.411 32.897 32.500 -0.023 0.000 1.027 229 K HN 0.951 nan 8.250 nan 0.000 0.478 230 T N -0.497 114.021 114.554 -0.059 0.000 2.841 230 T HA 0.153 4.505 4.350 0.003 0.000 0.276 230 T C 1.314 175.977 174.700 -0.061 0.000 1.003 230 T CA -0.231 61.823 62.100 -0.078 0.000 0.995 230 T CB 1.092 69.915 68.868 -0.076 0.000 1.260 230 T HN 0.549 nan 8.240 nan 0.000 0.581 231 T N -2.019 112.493 114.554 -0.069 0.000 3.118 231 T HA 0.145 4.496 4.350 0.003 0.000 0.260 231 T C 1.556 176.233 174.700 -0.038 0.000 1.139 231 T CA 0.241 62.306 62.100 -0.059 0.000 1.085 231 T CB -0.260 68.569 68.868 -0.066 0.000 0.934 231 T HN 0.621 nan 8.240 nan 0.000 0.518 232 R N 0.195 120.682 120.500 -0.023 0.000 2.307 232 R HA 0.375 4.717 4.340 0.003 0.000 0.200 232 R C -0.062 176.264 176.300 0.044 0.000 0.893 232 R CA -0.047 56.060 56.100 0.012 0.000 1.042 232 R CB 0.425 30.741 30.300 0.026 0.000 1.059 232 R HN 0.271 nan 8.270 nan 0.000 0.530 233 N N -0.548 118.172 118.700 0.034 0.000 2.431 233 N HA 0.099 4.841 4.740 0.003 0.000 0.275 233 N C -1.037 174.503 175.510 0.050 0.000 1.091 233 N CA -0.414 52.675 53.050 0.066 0.000 0.922 233 N CB 1.185 39.718 38.487 0.077 0.000 1.666 233 N HN -0.122 nan 8.380 nan 0.000 0.484 234 N N 1.092 119.831 118.700 0.065 0.000 2.494 234 N HA -0.049 4.693 4.740 0.003 0.000 0.182 234 N C -0.239 175.356 175.510 0.142 0.000 1.076 234 N CA 0.415 53.505 53.050 0.066 0.000 0.908 234 N CB 0.089 38.602 38.487 0.043 0.000 0.967 234 N HN 0.396 nan 8.380 nan 0.000 0.449 235 N N 0.208 118.994 118.700 0.143 0.000 2.642 235 N HA 0.068 4.810 4.740 0.003 0.000 0.308 235 N C -1.373 174.220 175.510 0.140 0.000 1.914 235 N CA -0.186 52.995 53.050 0.219 0.000 0.893 235 N CB 0.488 39.099 38.487 0.206 0.000 1.322 235 N HN -0.160 nan 8.380 nan 0.000 0.490 236 S N -0.078 115.669 115.700 0.078 0.000 2.533 236 S HA 0.156 4.627 4.470 0.003 0.000 0.282 236 S C 0.064 174.698 174.600 0.056 0.000 1.304 236 S CA -0.098 58.129 58.200 0.045 0.000 1.063 236 S CB 0.123 63.330 63.200 0.011 0.000 0.881 236 S HN 0.353 nan 8.310 nan 0.000 0.493 237 S N 5.157 120.874 115.700 0.029 0.000 2.430 237 S HA 0.213 4.684 4.470 0.003 0.000 0.282 237 S C 0.781 175.400 174.600 0.031 0.000 1.186 237 S CA -0.543 57.645 58.200 -0.020 0.000 1.060 237 S CB 0.181 63.257 63.200 -0.206 0.000 0.966 237 S HN 0.587 nan 8.310 nan 0.000 0.501 238 R N 3.159 123.805 120.500 0.242 0.000 3.081 238 R HA 0.227 4.568 4.340 0.003 0.000 0.280 238 R C -0.494 176.005 176.300 0.331 0.000 1.372 238 R CA 0.038 56.291 56.100 0.255 0.000 1.242 238 R CB -0.875 29.628 30.300 0.339 0.000 1.316 238 R HN 0.673 nan 8.270 nan 0.000 0.585 239 F N -4.088 115.903 119.950 0.068 0.000 2.703 239 F HA 0.619 5.148 4.527 0.003 0.000 0.308 239 F C -0.476 175.406 175.800 0.136 0.000 1.126 239 F CA -1.518 56.523 58.000 0.067 0.000 0.959 239 F CB 0.644 39.638 39.000 -0.011 0.000 1.297 239 F HN -0.099 nan 8.300 nan 0.000 0.441 240 G N 1.464 110.381 108.800 0.195 0.000 2.425 240 G HA2 0.618 4.579 3.960 0.003 0.000 0.302 240 G HA3 0.618 4.579 3.960 0.003 0.000 0.302 240 G C -1.701 173.405 174.900 0.343 0.000 1.159 240 G CA -0.928 44.292 45.100 0.199 0.000 0.865 240 G HN 1.037 nan 8.290 nan 0.000 0.515 241 K N -0.187 120.380 120.400 0.279 0.000 2.527 241 K HA 0.618 4.939 4.320 0.003 0.000 0.260 241 K C -2.191 174.633 176.600 0.374 0.000 0.937 241 K CA -1.015 55.453 56.287 0.301 0.000 0.826 241 K CB 2.265 34.932 32.500 0.279 0.000 1.359 241 K HN 0.384 nan 8.250 nan 0.000 0.434 242 F N 3.934 123.985 119.950 0.168 0.000 2.499 242 F HA 0.495 5.023 4.527 0.002 0.000 0.333 242 F C -1.074 174.766 175.800 0.067 0.000 1.138 242 F CA -0.988 57.104 58.000 0.153 0.000 0.945 242 F CB 1.080 40.214 39.000 0.223 0.000 1.181 242 F HN 0.385 nan 8.300 nan 0.000 0.435 243 I N 5.175 125.398 120.570 -0.578 0.000 2.354 243 I HA 0.302 4.473 4.170 0.003 0.000 0.292 243 I C -0.489 175.262 176.117 -0.611 0.000 0.989 243 I CA -0.527 60.511 61.300 -0.436 0.000 1.188 243 I CB 1.677 39.560 38.000 -0.196 0.000 1.342 243 I HN 0.640 nan 8.210 nan 0.000 0.457 244 E N 6.328 126.279 120.200 -0.415 0.000 2.092 244 E HA 0.377 4.729 4.350 0.003 0.000 0.271 244 E C -0.904 175.627 176.600 -0.115 0.000 0.919 244 E CA -0.738 55.499 56.400 -0.272 0.000 0.760 244 E CB 1.312 30.834 29.700 -0.296 0.000 1.106 244 E HN 0.369 nan 8.360 nan 0.000 0.408 245 I N 4.046 124.614 120.570 -0.004 0.000 2.325 245 I HA 0.152 4.324 4.170 0.003 0.000 0.291 245 I C 0.239 176.282 176.117 -0.122 0.000 1.019 245 I CA -0.261 60.979 61.300 -0.100 0.000 1.302 245 I CB 1.051 39.013 38.000 -0.064 0.000 1.401 245 I HN 0.494 nan 8.210 nan 0.000 0.485 246 Q N 5.475 125.112 119.800 -0.272 0.000 2.241 246 Q HA 0.624 4.966 4.340 0.003 0.000 0.254 246 Q C -1.400 174.354 176.000 -0.409 0.000 0.917 246 Q CA -0.307 55.410 55.803 -0.142 0.000 0.919 246 Q CB 1.959 30.669 28.738 -0.046 0.000 1.237 246 Q HN 0.388 nan 8.270 nan 0.000 0.434 247 F N 0.995 121.056 119.950 0.186 0.000 2.588 247 F HA 0.337 4.865 4.527 0.003 0.000 0.314 247 F C 0.304 176.206 175.800 0.169 0.000 1.069 247 F CA -1.218 56.891 58.000 0.181 0.000 0.931 247 F CB 1.232 40.349 39.000 0.195 0.000 1.260 247 F HN 0.566 nan 8.300 nan 0.000 0.465 248 N N -0.146 118.763 118.700 0.348 0.000 2.418 248 N HA 0.164 4.905 4.740 0.003 0.000 0.283 248 N C 0.249 175.907 175.510 0.246 0.000 1.267 248 N CA -0.523 52.672 53.050 0.241 0.000 0.975 248 N CB 0.020 38.624 38.487 0.195 0.000 1.167 248 N HN 0.602 nan 8.380 nan 0.000 0.581 249 N N -1.268 117.547 118.700 0.192 0.000 2.289 249 N HA -0.111 4.630 4.740 0.003 0.000 0.184 249 N C 1.217 176.751 175.510 0.041 0.000 1.016 249 N CA 1.345 54.510 53.050 0.193 0.000 0.872 249 N CB -0.366 38.208 38.487 0.144 0.000 0.973 249 N HN 0.639 nan 8.380 nan 0.000 0.433 250 A N -0.375 122.445 122.820 0.000 0.000 2.167 250 A HA 0.442 4.764 4.320 0.003 0.000 0.214 250 A C 1.798 179.147 177.584 -0.392 0.000 1.151 250 A CA 0.672 52.614 52.037 -0.158 0.000 0.735 250 A CB -0.605 18.338 19.000 -0.094 0.000 0.802 250 A HN 0.585 nan 8.150 nan 0.000 0.467 251 G N -2.418 106.232 108.800 -0.252 0.000 2.148 251 G HA2 -0.193 3.768 3.960 0.003 0.000 0.203 251 G HA3 -0.193 3.768 3.960 0.003 0.000 0.203 251 G C -0.032 174.816 174.900 -0.087 0.000 0.993 251 G CA -0.109 44.825 45.100 -0.276 0.000 0.661 251 G HN 0.332 nan 8.290 nan 0.000 0.518 252 F N 0.572 120.729 119.950 0.344 0.000 2.397 252 F HA 0.608 5.137 4.527 0.003 0.000 0.331 252 F C 1.394 177.409 175.800 0.359 0.000 1.090 252 F CA -1.262 56.930 58.000 0.320 0.000 1.065 252 F CB 1.007 40.102 39.000 0.158 0.000 1.184 252 F HN -0.097 nan 8.300 nan 0.000 0.499 253 I N 2.045 122.875 120.570 0.434 0.000 2.668 253 I HA -0.073 4.098 4.170 0.003 0.000 0.285 253 I C 0.945 177.067 176.117 0.009 0.000 1.168 253 I CA 0.575 61.865 61.300 -0.016 0.000 1.424 253 I CB 0.880 38.827 38.000 -0.087 0.000 1.377 253 I HN 0.773 nan 8.210 nan 0.000 0.560 254 S N 3.554 119.207 115.700 -0.078 0.000 2.549 254 S HA 0.434 4.905 4.470 0.003 0.000 0.225 254 S C 0.452 175.014 174.600 -0.063 0.000 1.039 254 S CA 0.162 58.354 58.200 -0.014 0.000 0.942 254 S CB 1.093 64.323 63.200 0.050 0.000 0.881 254 S HN 0.840 nan 8.310 nan 0.000 0.503 255 G N 0.135 108.860 108.800 -0.124 0.000 2.427 255 G HA2 0.684 4.645 3.960 0.003 0.000 0.306 255 G HA3 0.684 4.645 3.960 0.003 0.000 0.306 255 G C -1.793 173.020 174.900 -0.145 0.000 1.280 255 G CA -0.143 44.890 45.100 -0.113 0.000 0.837 255 G HN 1.113 nan 8.290 nan 0.000 0.482 256 A N -1.145 121.601 122.820 -0.123 0.000 2.608 256 A HA 0.985 5.307 4.320 0.003 0.000 0.292 256 A C -0.452 177.057 177.584 -0.125 0.000 1.066 256 A CA 0.430 52.390 52.037 -0.129 0.000 0.676 256 A CB 1.251 20.175 19.000 -0.127 0.000 1.277 256 A HN 2.401 nan 8.150 nan 0.000 0.413 257 S N -0.166 115.453 115.700 -0.135 0.000 2.541 257 S HA 0.854 5.326 4.470 0.003 0.000 0.271 257 S C -1.093 173.430 174.600 -0.129 0.000 1.133 257 S CA -0.551 57.571 58.200 -0.130 0.000 0.876 257 S CB 1.177 64.302 63.200 -0.124 0.000 1.105 257 S HN 0.882 nan 8.310 nan 0.000 0.470 258 I N 1.660 122.161 120.570 -0.115 0.000 2.545 258 I HA 0.554 4.725 4.170 0.003 0.000 0.292 258 I C -0.833 175.231 176.117 -0.087 0.000 1.040 258 I CA -0.466 60.780 61.300 -0.090 0.000 1.068 258 I CB 2.314 40.264 38.000 -0.084 0.000 1.251 258 I HN 0.714 nan 8.210 nan 0.000 0.424 259 Q N 4.593 124.359 119.800 -0.057 0.000 2.340 259 Q HA 0.601 4.943 4.340 0.003 0.000 0.268 259 Q C -1.009 174.805 176.000 -0.310 0.000 1.031 259 Q CA -0.602 55.096 55.803 -0.175 0.000 0.804 259 Q CB 1.941 30.607 28.738 -0.121 0.000 1.286 259 Q HN 0.703 nan 8.270 nan 0.000 0.448 260 S N 2.844 118.351 115.700 -0.321 0.000 2.593 260 S HA 0.806 5.278 4.470 0.003 0.000 0.297 260 S C -1.118 173.284 174.600 -0.329 0.000 1.112 260 S CA -0.479 57.647 58.200 -0.122 0.000 1.043 260 S CB 0.831 64.161 63.200 0.217 0.000 1.054 260 S HN 0.492 nan 8.310 nan 0.000 0.516 261 Y N 0.597 121.103 120.300 0.344 0.000 2.457 261 Y HA 0.521 5.073 4.550 0.003 0.000 0.343 261 Y C 0.079 176.105 175.900 0.211 0.000 0.994 261 Y CA -1.704 56.562 58.100 0.277 0.000 1.031 261 Y CB 1.355 39.990 38.460 0.291 0.000 1.246 261 Y HN 0.773 nan 8.280 nan 0.000 0.449 262 L N 2.296 123.690 121.223 0.285 0.000 3.677 262 L HA -0.249 4.092 4.340 0.003 0.000 0.464 262 L C -0.433 176.508 176.870 0.119 0.000 1.278 262 L CA 0.032 54.941 54.840 0.114 0.000 0.806 262 L CB -1.093 40.949 42.059 -0.028 0.000 1.610 262 L HN 0.516 nan 8.230 nan 0.000 0.867 263 L N 1.330 122.607 121.223 0.091 0.000 2.499 263 L HA 0.076 4.418 4.340 0.003 0.000 0.273 263 L C 1.247 178.158 176.870 0.069 0.000 1.195 263 L CA 0.652 55.499 54.840 0.013 0.000 0.882 263 L CB 0.707 42.627 42.059 -0.231 0.000 1.133 263 L HN 0.261 nan 8.230 nan 0.000 0.483 264 E N 4.327 124.613 120.200 0.143 0.000 1.775 264 E HA -0.010 4.342 4.350 0.003 0.000 0.266 264 E C 0.421 177.144 176.600 0.205 0.000 1.191 264 E CA 0.009 56.507 56.400 0.163 0.000 1.048 264 E CB 0.247 30.044 29.700 0.163 0.000 1.081 264 E HN 0.685 nan 8.360 nan 0.000 0.434 265 K N 0.934 121.418 120.400 0.140 0.000 2.211 265 K HA -0.119 4.203 4.320 0.003 0.000 0.203 265 K C 2.067 178.730 176.600 0.105 0.000 1.050 265 K CA 1.274 57.645 56.287 0.141 0.000 0.945 265 K CB 0.060 32.629 32.500 0.115 0.000 0.732 265 K HN 0.386 nan 8.250 nan 0.000 0.451 266 S N 1.634 117.389 115.700 0.091 0.000 2.419 266 S HA -0.206 4.265 4.470 0.003 0.000 0.233 266 S C 2.022 176.653 174.600 0.051 0.000 1.016 266 S CA 1.052 59.294 58.200 0.069 0.000 0.974 266 S CB -0.325 62.925 63.200 0.083 0.000 0.786 266 S HN 0.308 nan 8.310 nan 0.000 0.492 267 R N 1.061 121.585 120.500 0.040 0.000 2.193 267 R HA -0.014 4.327 4.340 0.003 0.000 0.229 267 R C 1.666 177.875 176.300 -0.151 0.000 1.110 267 R CA 1.070 57.124 56.100 -0.078 0.000 0.988 267 R CB -0.510 29.649 30.300 -0.235 0.000 0.871 267 R HN 0.386 nan 8.270 nan 0.000 0.458 268 V N 0.632 120.480 119.914 -0.110 0.000 2.490 268 V HA -0.179 3.943 4.120 0.003 0.000 0.250 268 V C 2.014 177.762 176.094 -0.576 0.000 1.061 268 V CA 1.737 63.860 62.300 -0.296 0.000 1.064 268 V CB 0.374 32.016 31.823 -0.302 0.000 0.670 268 V HN 0.507 nan 8.190 nan 0.000 0.461 269 V N -4.437 115.218 119.914 -0.432 0.000 3.578 269 V HA 0.461 4.583 4.120 0.003 0.000 0.290 269 V C -0.005 176.080 176.094 -0.016 0.000 1.376 269 V CA -0.132 61.863 62.300 -0.508 0.000 1.083 269 V CB 0.048 31.672 31.823 -0.332 0.000 0.911 269 V HN 0.292 nan 8.190 nan 0.000 0.433 270 F N 0.827 120.681 119.950 -0.161 0.000 2.652 270 F HA 0.722 5.250 4.527 0.002 0.000 0.320 270 F C -1.659 174.092 175.800 -0.082 0.000 1.115 270 F CA -0.532 57.426 58.000 -0.069 0.000 1.053 270 F CB 1.670 40.649 39.000 -0.035 0.000 1.297 270 F HN 0.072 nan 8.300 nan 0.000 0.471 271 Q N 3.190 122.311 119.800 -1.133 0.000 2.372 271 Q HA 0.547 4.889 4.340 0.003 0.000 0.273 271 Q C -0.647 174.735 176.000 -1.030 0.000 1.078 271 Q CA -0.962 54.340 55.803 -0.835 0.000 0.806 271 Q CB 2.292 30.784 28.738 -0.411 0.000 1.332 271 Q HN 0.628 nan 8.270 nan 0.000 0.435 272 S N 1.413 116.779 115.700 -0.556 0.000 2.584 272 S HA 0.350 4.822 4.470 0.003 0.000 0.270 272 S C 0.012 174.476 174.600 -0.226 0.000 1.346 272 S CA 0.045 58.069 58.200 -0.294 0.000 1.018 272 S CB 0.239 63.388 63.200 -0.085 0.000 0.899 272 S HN 0.676 nan 8.310 nan 0.000 0.542 273 E N 0.083 120.207 120.200 -0.127 0.000 2.452 273 E HA 0.378 4.730 4.350 0.003 0.000 0.261 273 E C 1.245 177.791 176.600 -0.092 0.000 0.987 273 E CA 0.632 56.975 56.400 -0.095 0.000 0.926 273 E CB -1.544 28.128 29.700 -0.047 0.000 0.934 273 E HN 1.314 nan 8.360 nan 0.000 0.452 274 T N 0.364 114.866 114.554 -0.087 0.000 7.880 274 T HA -0.207 4.144 4.350 0.003 0.000 0.303 274 T C 0.697 175.340 174.700 -0.096 0.000 2.087 274 T CA 1.660 63.712 62.100 -0.079 0.000 3.396 274 T CB -1.921 66.907 68.868 -0.067 0.000 1.703 274 T HN 0.783 nan 8.240 nan 0.000 0.997 275 E N 0.752 120.880 120.200 -0.120 0.000 2.369 275 E HA 0.596 4.948 4.350 0.003 0.000 0.255 275 E C 0.399 176.920 176.600 -0.132 0.000 1.172 275 E CA -0.669 55.651 56.400 -0.133 0.000 0.932 275 E CB 0.835 30.439 29.700 -0.160 0.000 1.040 275 E HN 0.610 nan 8.360 nan 0.000 0.454 276 R N 0.764 121.183 120.500 -0.134 0.000 2.902 276 R HA 0.290 4.631 4.340 0.003 0.000 0.258 276 R C 0.238 176.501 176.300 -0.063 0.000 1.071 276 R CA -0.928 55.122 56.100 -0.083 0.000 1.024 276 R CB 0.861 31.018 30.300 -0.238 0.000 1.184 276 R HN 0.438 nan 8.270 nan 0.000 0.492 277 N N 0.259 119.034 118.700 0.125 0.000 2.322 277 N HA 0.023 4.764 4.740 0.003 0.000 0.270 277 N C -0.654 174.899 175.510 0.073 0.000 1.286 277 N CA 0.074 53.116 53.050 -0.014 0.000 0.948 277 N CB 0.185 38.660 38.487 -0.019 0.000 1.164 277 N HN 0.226 nan 8.380 nan 0.000 0.551 278 Y N 1.354 121.808 120.300 0.257 0.000 2.805 278 Y HA -0.067 4.484 4.550 0.003 0.000 0.337 278 Y C 2.031 178.115 175.900 0.306 0.000 1.252 278 Y CA 0.270 58.470 58.100 0.166 0.000 1.515 278 Y CB 0.143 38.670 38.460 0.112 0.000 1.305 278 Y HN 0.496 nan 8.280 nan 0.000 0.600 279 H N 2.581 121.858 119.070 0.344 0.000 2.321 279 H HA -0.206 4.351 4.556 0.002 0.000 0.295 279 H C 2.012 177.455 175.328 0.192 0.000 1.102 279 H CA 2.334 58.543 56.048 0.268 0.000 1.266 279 H CB -0.505 29.349 29.762 0.152 0.000 1.363 279 H HN 0.707 nan 8.280 nan 0.000 0.492 280 I N 0.096 120.700 120.570 0.057 0.000 2.181 280 I HA -0.284 3.888 4.170 0.003 0.000 0.247 280 I C 2.289 178.257 176.117 -0.248 0.000 1.081 280 I CA 1.246 62.396 61.300 -0.251 0.000 1.340 280 I CB -1.634 35.912 38.000 -0.756 0.000 1.036 280 I HN -0.039 nan 8.210 nan 0.000 0.417 281 F N 0.332 120.242 119.950 -0.067 0.000 2.095 281 F HA -0.210 4.319 4.527 0.002 0.000 0.298 281 F C 2.511 178.100 175.800 -0.352 0.000 1.104 281 F CA 1.817 59.643 58.000 -0.290 0.000 1.232 281 F CB -1.392 37.320 39.000 -0.480 0.000 0.987 281 F HN 0.035 nan 8.300 nan 0.000 0.475 282 Y N -0.249 120.100 120.300 0.081 0.000 2.242 282 Y HA -0.192 4.360 4.550 0.003 0.000 0.291 282 Y C 2.485 178.313 175.900 -0.120 0.000 1.137 282 Y CA 1.125 59.222 58.100 -0.003 0.000 1.181 282 Y CB -1.099 37.384 38.460 0.037 0.000 0.989 282 Y HN 0.101 nan 8.280 nan 0.000 0.527 283 Q N -0.202 119.607 119.800 0.015 0.000 2.124 283 Q HA -0.188 4.153 4.340 0.003 0.000 0.202 283 Q C 2.248 177.789 176.000 -0.766 0.000 0.977 283 Q CA 1.668 57.367 55.803 -0.173 0.000 0.850 283 Q CB -0.326 28.440 28.738 0.047 0.000 0.901 283 Q HN 0.490 nan 8.270 nan 0.000 0.429 284 L N 0.211 120.973 121.223 -0.767 0.000 2.072 284 L HA -0.108 4.233 4.340 0.003 0.000 0.205 284 L C 1.874 178.343 176.870 -0.668 0.000 1.079 284 L CA 1.405 55.588 54.840 -1.094 0.000 0.752 284 L CB -0.200 41.476 42.059 -0.639 0.000 0.906 284 L HN 0.158 nan 8.230 nan 0.000 0.436 285 L N -0.374 120.627 121.223 -0.369 0.000 2.083 285 L HA -0.136 4.206 4.340 0.003 0.000 0.209 285 L C 2.631 179.397 176.870 -0.174 0.000 1.083 285 L CA 1.122 55.842 54.840 -0.201 0.000 0.752 285 L CB -1.001 41.008 42.059 -0.085 0.000 0.899 285 L HN 0.412 nan 8.230 nan 0.000 0.433 286 A N -0.220 122.482 122.820 -0.196 0.000 1.935 286 A HA 0.072 4.393 4.320 0.003 0.000 0.214 286 A C 2.073 179.576 177.584 -0.134 0.000 1.178 286 A CA 1.333 53.298 52.037 -0.121 0.000 0.640 286 A CB -0.497 18.468 19.000 -0.058 0.000 0.825 286 A HN 0.410 nan 8.150 nan 0.000 0.447 287 G N -1.146 107.492 108.800 -0.270 0.000 3.519 287 G HA2 0.471 4.433 3.960 0.003 0.000 0.269 287 G HA3 0.471 4.433 3.960 0.003 0.000 0.269 287 G C 0.429 175.337 174.900 0.013 0.000 1.028 287 G CA 0.597 45.673 45.100 -0.040 0.000 0.809 287 G HN 0.669 nan 8.290 nan 0.000 0.521 288 A N 1.187 123.882 122.820 -0.208 0.000 2.425 288 A HA 0.557 4.879 4.320 0.003 0.000 0.249 288 A C 1.059 178.639 177.584 -0.006 0.000 1.084 288 A CA 0.348 52.335 52.037 -0.082 0.000 0.781 288 A CB 0.030 18.923 19.000 -0.179 0.000 1.019 288 A HN 0.601 nan 8.150 nan 0.000 0.490 289 T N -0.321 114.253 114.554 0.033 0.000 2.898 289 T HA 0.410 4.761 4.350 0.003 0.000 0.301 289 T C 1.352 176.054 174.700 0.004 0.000 1.049 289 T CA 0.013 62.127 62.100 0.024 0.000 1.095 289 T CB 0.994 69.883 68.868 0.034 0.000 0.976 289 T HN 1.379 nan 8.240 nan 0.000 0.539 290 A N 1.720 124.541 122.820 0.001 0.000 2.042 290 A HA -0.154 4.168 4.320 0.003 0.000 0.222 290 A C 2.057 179.634 177.584 -0.011 0.000 1.167 290 A CA 2.037 54.070 52.037 -0.008 0.000 0.649 290 A CB -0.918 18.078 19.000 -0.006 0.000 0.809 290 A HN 0.971 nan 8.150 nan 0.000 0.457 291 E N -0.195 120.004 120.200 -0.002 0.000 2.076 291 E HA -0.091 4.261 4.350 0.003 0.000 0.190 291 E C 1.873 178.471 176.600 -0.002 0.000 0.979 291 E CA 1.226 57.625 56.400 -0.002 0.000 0.807 291 E CB -0.260 29.446 29.700 0.011 0.000 0.761 291 E HN 0.747 nan 8.360 nan 0.000 0.454 292 E N 1.113 121.319 120.200 0.009 0.000 2.110 292 E HA -0.159 4.192 4.350 0.003 0.000 0.193 292 E C 1.750 178.345 176.600 -0.008 0.000 0.988 292 E CA 1.073 57.482 56.400 0.015 0.000 0.804 292 E CB 0.025 29.738 29.700 0.021 0.000 0.745 292 E HN 0.189 nan 8.360 nan 0.000 0.458 293 K N 0.891 121.276 120.400 -0.025 0.000 2.057 293 K HA -0.204 4.118 4.320 0.003 0.000 0.207 293 K C 2.237 178.799 176.600 -0.064 0.000 1.049 293 K CA 1.575 57.844 56.287 -0.030 0.000 0.931 293 K CB -0.209 32.276 32.500 -0.026 0.000 0.714 293 K HN 0.077 nan 8.250 nan 0.000 0.440 294 K N 1.083 121.428 120.400 -0.092 0.000 2.116 294 K HA 0.032 4.354 4.320 0.003 0.000 0.203 294 K C 2.181 178.610 176.600 -0.285 0.000 1.052 294 K CA 1.120 57.295 56.287 -0.186 0.000 0.952 294 K CB -0.100 32.325 32.500 -0.125 0.000 0.729 294 K HN 0.048 nan 8.250 nan 0.000 0.446 295 A N 1.256 124.001 122.820 -0.124 0.000 2.067 295 A HA 0.048 4.370 4.320 0.003 0.000 0.219 295 A C 1.818 179.409 177.584 0.011 0.000 1.158 295 A CA 0.819 52.822 52.037 -0.057 0.000 0.661 295 A CB -0.290 18.720 19.000 0.017 0.000 0.801 295 A HN 0.348 nan 8.150 nan 0.000 0.452 296 L N -2.515 118.716 121.223 0.014 0.000 2.728 296 L HA 0.226 4.568 4.340 0.003 0.000 0.238 296 L C 0.167 177.248 176.870 0.352 0.000 1.143 296 L CA -0.243 54.708 54.840 0.184 0.000 0.937 296 L CB -0.268 41.862 42.059 0.119 0.000 1.225 296 L HN 0.537 nan 8.230 nan 0.000 0.507 297 H N -1.007 118.153 119.070 0.150 0.000 2.820 297 H HA -0.161 4.397 4.556 0.002 0.000 0.295 297 H C 0.130 175.652 175.328 0.323 0.000 1.187 297 H CA 0.282 56.430 56.048 0.167 0.000 1.144 297 H CB -1.866 27.901 29.762 0.009 0.000 1.354 297 H HN 0.224 nan 8.280 nan 0.000 0.395 298 L N -0.550 120.816 121.223 0.238 0.000 2.436 298 L HA 0.545 4.887 4.340 0.003 0.000 0.265 298 L C 1.117 178.117 176.870 0.217 0.000 1.168 298 L CA 0.496 55.482 54.840 0.242 0.000 0.815 298 L CB 1.055 43.163 42.059 0.081 0.000 1.109 298 L HN 0.453 nan 8.230 nan 0.000 0.462 299 A N 1.229 124.230 122.820 0.303 0.000 4.431 299 A HA 0.760 5.082 4.320 0.003 0.000 0.247 299 A C -0.359 177.339 177.584 0.190 0.000 0.974 299 A CA 0.108 52.233 52.037 0.147 0.000 0.633 299 A CB 0.280 19.262 19.000 -0.030 0.000 1.698 299 A HN 0.660 nan 8.150 nan 0.000 0.843 300 G N -0.855 107.991 108.800 0.075 0.000 2.451 300 G HA2 0.516 4.478 3.960 0.003 0.000 0.303 300 G HA3 0.516 4.478 3.960 0.003 0.000 0.303 300 G C -1.924 173.083 174.900 0.179 0.000 1.166 300 G CA -1.148 44.009 45.100 0.095 0.000 0.884 300 G HN 0.274 nan 8.290 nan 0.000 0.514 301 P HA -0.143 nan 4.420 nan 0.000 0.216 301 P C 1.735 179.120 177.300 0.141 0.000 1.150 301 P CA 1.300 64.524 63.100 0.207 0.000 0.837 301 P CB 0.213 32.008 31.700 0.158 0.000 0.786 302 E N 0.537 120.772 120.200 0.058 0.000 2.204 302 E HA -0.137 4.214 4.350 0.003 0.000 0.195 302 E C 1.589 178.146 176.600 -0.073 0.000 0.990 302 E CA 1.717 58.118 56.400 0.003 0.000 0.821 302 E CB -1.193 28.502 29.700 -0.009 0.000 0.750 302 E HN 0.361 nan 8.360 nan 0.000 0.477 303 S N -0.459 115.137 115.700 -0.173 0.000 2.603 303 S HA 0.100 4.572 4.470 0.003 0.000 0.220 303 S C 0.300 174.528 174.600 -0.620 0.000 0.967 303 S CA -0.546 57.411 58.200 -0.404 0.000 0.920 303 S CB -0.514 62.375 63.200 -0.519 0.000 0.773 303 S HN 0.144 nan 8.310 nan 0.000 0.529 304 F N 2.241 122.145 119.950 -0.078 0.000 2.426 304 F HA 0.514 5.043 4.527 0.002 0.000 0.348 304 F C 1.216 176.940 175.800 -0.127 0.000 1.124 304 F CA -1.245 56.682 58.000 -0.121 0.000 1.008 304 F CB 1.248 40.157 39.000 -0.152 0.000 1.139 304 F HN -0.110 nan 8.300 nan 0.000 0.452 305 N N 2.154 120.862 118.700 0.012 0.000 2.137 305 N HA -0.244 4.497 4.740 0.003 0.000 0.190 305 N C 1.527 177.068 175.510 0.051 0.000 1.017 305 N CA 1.592 54.622 53.050 -0.033 0.000 0.859 305 N CB -0.184 38.230 38.487 -0.121 0.000 1.002 305 N HN 0.701 nan 8.380 nan 0.000 0.428 306 Y N 0.396 120.668 120.300 -0.046 0.000 2.571 306 Y HA 0.061 4.612 4.550 0.003 0.000 0.294 306 Y C 1.785 177.556 175.900 -0.216 0.000 1.141 306 Y CA 0.114 58.116 58.100 -0.163 0.000 1.308 306 Y CB 0.266 38.542 38.460 -0.307 0.000 1.002 306 Y HN 0.002 nan 8.280 nan 0.000 0.551 307 L N -0.805 120.424 121.223 0.011 0.000 2.878 307 L HA 0.066 4.408 4.340 0.003 0.000 0.253 307 L C 0.803 177.703 176.870 0.050 0.000 1.135 307 L CA 0.015 54.838 54.840 -0.028 0.000 0.943 307 L CB 0.070 42.055 42.059 -0.123 0.000 1.307 307 L HN 0.148 nan 8.230 nan 0.000 0.545 308 N N -1.451 117.276 118.700 0.046 0.000 2.251 308 N HA -0.028 4.714 4.740 0.003 0.000 0.217 308 N C 1.176 176.695 175.510 0.014 0.000 1.124 308 N CA 0.054 53.124 53.050 0.034 0.000 0.843 308 N CB 0.192 38.692 38.487 0.021 0.000 1.024 308 N HN 0.152 nan 8.380 nan 0.000 0.501 309 Q N -0.221 119.580 119.800 0.002 0.000 2.378 309 Q HA 0.128 4.470 4.340 0.003 0.000 0.216 309 Q C 1.237 177.202 176.000 -0.058 0.000 0.892 309 Q CA 0.790 56.583 55.803 -0.017 0.000 0.931 309 Q CB 0.338 29.077 28.738 0.000 0.000 1.086 309 Q HN 0.582 nan 8.270 nan 0.000 0.528 310 S N -0.702 114.949 115.700 -0.080 0.000 2.470 310 S HA 0.154 4.626 4.470 0.003 0.000 0.225 310 S C 1.526 176.088 174.600 -0.063 0.000 1.006 310 S CA 0.758 58.893 58.200 -0.108 0.000 0.934 310 S CB 0.178 63.299 63.200 -0.131 0.000 0.778 310 S HN 0.424 nan 8.310 nan 0.000 0.517 311 G N 0.161 108.940 108.800 -0.034 0.000 2.157 311 G HA2 -0.242 3.719 3.960 0.003 0.000 0.239 311 G HA3 -0.242 3.719 3.960 0.003 0.000 0.239 311 G C 0.025 174.910 174.900 -0.025 0.000 0.982 311 G CA -0.098 44.988 45.100 -0.024 0.000 0.650 311 G HN 1.190 nan 8.290 nan 0.000 0.527 312 C N 0.646 119.930 119.300 -0.027 0.000 2.432 312 C HA 0.704 5.166 4.460 0.003 0.000 0.334 312 C C 1.404 176.374 174.990 -0.033 0.000 1.155 312 C CA 0.166 59.158 59.018 -0.043 0.000 1.335 312 C CB 0.937 28.633 27.740 -0.074 0.000 1.964 312 C HN 1.371 nan 8.230 nan 0.000 0.444 313 V N 1.694 121.593 119.914 -0.025 0.000 3.477 313 V HA 0.433 4.554 4.120 0.003 0.000 0.297 313 V C -0.104 175.902 176.094 -0.147 0.000 1.433 313 V CA 0.792 63.099 62.300 0.012 0.000 1.052 313 V CB -0.194 31.721 31.823 0.153 0.000 0.895 313 V HN 0.894 nan 8.190 nan 0.000 0.438 314 D N -0.356 119.951 120.400 -0.154 0.000 2.596 314 D HA 0.614 5.256 4.640 0.003 0.000 0.262 314 D C -0.931 175.281 176.300 -0.147 0.000 1.210 314 D CA -0.650 53.255 54.000 -0.159 0.000 0.873 314 D CB 1.609 42.365 40.800 -0.074 0.000 1.408 314 D HN 0.149 nan 8.370 nan 0.000 0.441 315 I N 0.001 120.494 120.570 -0.129 0.000 2.433 315 I HA 0.292 4.463 4.170 0.003 0.000 0.292 315 I C 0.066 176.142 176.117 -0.069 0.000 1.001 315 I CA -1.306 59.935 61.300 -0.098 0.000 1.119 315 I CB 1.796 39.736 38.000 -0.100 0.000 1.289 315 I HN 0.406 nan 8.210 nan 0.000 0.438 316 K N 4.750 125.117 120.400 -0.055 0.000 2.451 316 K HA 0.308 4.630 4.320 0.003 0.000 0.280 316 K C 0.810 177.390 176.600 -0.034 0.000 1.020 316 K CA 0.403 56.665 56.287 -0.041 0.000 1.008 316 K CB 0.385 32.862 32.500 -0.037 0.000 0.917 316 K HN 0.916 nan 8.250 nan 0.000 0.478 317 G N 1.264 110.047 108.800 -0.028 0.000 2.198 317 G HA2 -0.218 3.743 3.960 0.003 0.000 0.260 317 G HA3 -0.218 3.743 3.960 0.003 0.000 0.260 317 G C -0.386 174.498 174.900 -0.027 0.000 1.025 317 G CA 0.134 45.221 45.100 -0.021 0.000 0.769 317 G HN 0.544 nan 8.290 nan 0.000 0.507 318 V N 0.120 120.011 119.914 -0.039 0.000 2.577 318 V HA 0.736 4.857 4.120 0.003 0.000 0.303 318 V C 0.191 176.258 176.094 -0.046 0.000 1.042 318 V CA -0.168 62.100 62.300 -0.053 0.000 0.872 318 V CB 2.072 33.842 31.823 -0.089 0.000 0.998 318 V HN 0.924 nan 8.190 nan 0.000 0.423 319 S N 2.762 118.443 115.700 -0.032 0.000 2.520 319 S HA 0.267 4.739 4.470 0.003 0.000 0.324 319 S C 0.588 175.183 174.600 -0.008 0.000 1.069 319 S CA -0.663 57.528 58.200 -0.015 0.000 1.121 319 S CB 0.814 64.013 63.200 -0.001 0.000 0.971 319 S HN 0.708 nan 8.310 nan 0.000 0.463 320 D N 3.416 123.811 120.400 -0.008 0.000 2.218 320 D HA -0.139 4.502 4.640 0.003 0.000 0.204 320 D C 1.866 178.191 176.300 0.041 0.000 0.976 320 D CA 1.162 55.169 54.000 0.012 0.000 0.853 320 D CB 0.215 41.035 40.800 0.033 0.000 0.939 320 D HN 0.870 nan 8.370 nan 0.000 0.481 321 E N 1.211 121.431 120.200 0.034 0.000 2.047 321 E HA -0.183 4.169 4.350 0.003 0.000 0.191 321 E C 1.375 178.040 176.600 0.109 0.000 0.987 321 E CA 0.970 57.409 56.400 0.065 0.000 0.799 321 E CB -0.627 29.096 29.700 0.037 0.000 0.752 321 E HN 0.234 nan 8.360 nan 0.000 0.449 322 D N 0.768 121.207 120.400 0.064 0.000 2.178 322 D HA -0.102 4.539 4.640 0.003 0.000 0.202 322 D C 1.901 178.239 176.300 0.063 0.000 0.974 322 D CA 0.862 54.895 54.000 0.054 0.000 0.841 322 D CB 0.135 40.953 40.800 0.029 0.000 0.953 322 D HN 0.064 nan 8.370 nan 0.000 0.478 323 E N -0.154 120.085 120.200 0.065 0.000 2.110 323 E HA -0.161 4.191 4.350 0.003 0.000 0.193 323 E C 1.809 178.488 176.600 0.133 0.000 0.988 323 E CA 0.388 56.828 56.400 0.065 0.000 0.804 323 E CB -0.377 29.338 29.700 0.024 0.000 0.745 323 E HN 0.310 nan 8.360 nan 0.000 0.458 324 F N 2.176 122.115 119.950 -0.018 0.000 2.120 324 F HA -0.224 4.305 4.527 0.002 0.000 0.300 324 F C 2.018 177.818 175.800 0.001 0.000 1.095 324 F CA 1.500 59.486 58.000 -0.024 0.000 1.249 324 F CB -0.104 38.859 39.000 -0.062 0.000 0.995 324 F HN -0.063 nan 8.300 nan 0.000 0.480 325 K N 0.068 120.483 120.400 0.025 0.000 2.032 325 K HA -0.187 4.134 4.320 0.003 0.000 0.209 325 K C 2.150 178.710 176.600 -0.065 0.000 1.048 325 K CA 2.094 58.344 56.287 -0.063 0.000 0.927 325 K CB -0.475 32.025 32.500 -0.001 0.000 0.712 325 K HN 0.295 nan 8.250 nan 0.000 0.441 326 I N 0.962 121.526 120.570 -0.010 0.000 2.163 326 I HA -0.305 3.867 4.170 0.003 0.000 0.243 326 I C 2.289 178.404 176.117 -0.003 0.000 1.085 326 I CA 1.379 62.681 61.300 0.003 0.000 1.347 326 I CB -0.538 37.477 38.000 0.025 0.000 1.044 326 I HN 0.215 nan 8.210 nan 0.000 0.408 327 T N 0.276 114.829 114.554 -0.001 0.000 2.652 327 T HA -0.201 4.151 4.350 0.003 0.000 0.267 327 T C 2.082 176.754 174.700 -0.047 0.000 1.039 327 T CA 1.238 63.344 62.100 0.011 0.000 1.153 327 T CB -0.269 68.642 68.868 0.072 0.000 0.863 327 T HN 0.250 nan 8.240 nan 0.000 0.428 328 R N 0.661 121.055 120.500 -0.177 0.000 2.120 328 R HA -0.085 4.256 4.340 0.003 0.000 0.234 328 R C 2.618 178.877 176.300 -0.068 0.000 1.123 328 R CA 1.249 57.252 56.100 -0.163 0.000 0.975 328 R CB -0.285 29.818 30.300 -0.329 0.000 0.866 328 R HN 0.523 nan 8.270 nan 0.000 0.446 329 Q N -0.273 119.494 119.800 -0.056 0.000 2.119 329 Q HA -0.099 4.243 4.340 0.003 0.000 0.201 329 Q C 1.866 177.870 176.000 0.007 0.000 0.972 329 Q CA 1.454 57.246 55.803 -0.018 0.000 0.847 329 Q CB 0.032 28.762 28.738 -0.014 0.000 0.903 329 Q HN 0.341 nan 8.270 nan 0.000 0.433 330 A N 0.462 123.290 122.820 0.013 0.000 1.898 330 A HA -0.160 4.161 4.320 0.003 0.000 0.216 330 A C 2.027 179.649 177.584 0.062 0.000 1.181 330 A CA 1.298 53.356 52.037 0.035 0.000 0.620 330 A CB -0.472 18.553 19.000 0.043 0.000 0.819 330 A HN 0.428 nan 8.150 nan 0.000 0.442 331 M N -0.544 119.084 119.600 0.046 0.000 2.149 331 M HA -0.170 4.311 4.480 0.003 0.000 0.261 331 M C 1.462 177.871 176.300 0.183 0.000 1.064 331 M CA 1.547 56.910 55.300 0.106 0.000 1.102 331 M CB -0.529 32.024 32.600 -0.079 0.000 1.369 331 M HN 0.340 nan 8.290 nan 0.000 0.408 332 D N 0.700 121.152 120.400 0.087 0.000 2.084 332 D HA -0.082 4.560 4.640 0.003 0.000 0.196 332 D C 1.904 178.235 176.300 0.051 0.000 0.985 332 D CA 1.308 55.348 54.000 0.066 0.000 0.826 332 D CB -0.220 40.599 40.800 0.032 0.000 0.978 332 D HN 0.345 nan 8.370 nan 0.000 0.456 333 I N 0.392 120.986 120.570 0.040 0.000 2.226 333 I HA -0.219 3.952 4.170 0.003 0.000 0.245 333 I C 2.413 178.539 176.117 0.014 0.000 1.100 333 I CA 0.606 61.917 61.300 0.020 0.000 1.374 333 I CB -0.101 37.907 38.000 0.014 0.000 1.057 333 I HN -0.110 nan 8.210 nan 0.000 0.413 334 V N 0.338 120.280 119.914 0.046 0.000 2.548 334 V HA -0.071 4.050 4.120 0.003 0.000 0.249 334 V C 1.656 177.714 176.094 -0.060 0.000 1.055 334 V CA 1.851 64.157 62.300 0.011 0.000 1.065 334 V CB -0.247 31.611 31.823 0.057 0.000 0.681 334 V HN 0.770 nan 8.190 nan 0.000 0.462 335 G N -1.694 107.093 108.800 -0.022 0.000 2.234 335 G HA2 -0.147 3.815 3.960 0.003 0.000 0.153 335 G HA3 -0.147 3.815 3.960 0.003 0.000 0.153 335 G C -0.108 174.705 174.900 -0.146 0.000 1.013 335 G CA -0.603 44.430 45.100 -0.113 0.000 0.712 335 G HN 0.281 nan 8.290 nan 0.000 0.491 336 F N 3.069 122.981 119.950 -0.064 0.000 2.456 336 F HA 0.522 5.050 4.527 0.002 0.000 0.358 336 F C 1.465 177.255 175.800 -0.017 0.000 1.095 336 F CA 0.405 58.378 58.000 -0.044 0.000 1.216 336 F CB 1.262 40.234 39.000 -0.046 0.000 1.125 336 F HN 0.211 nan 8.300 nan 0.000 0.549 337 S N 2.675 118.467 115.700 0.153 0.000 2.608 337 S HA 0.055 4.527 4.470 0.003 0.000 0.261 337 S C 1.068 175.737 174.600 0.115 0.000 1.314 337 S CA -0.760 57.502 58.200 0.104 0.000 0.992 337 S CB 1.076 64.322 63.200 0.076 0.000 0.935 337 S HN 0.645 nan 8.310 nan 0.000 0.564 338 Q N 0.981 120.831 119.800 0.083 0.000 2.124 338 Q HA -0.116 4.225 4.340 0.003 0.000 0.202 338 Q C 2.185 178.233 176.000 0.080 0.000 0.977 338 Q CA 1.894 57.746 55.803 0.081 0.000 0.850 338 Q CB -0.475 28.305 28.738 0.069 0.000 0.901 338 Q HN 0.875 nan 8.270 nan 0.000 0.429 339 E N 0.614 120.858 120.200 0.074 0.000 2.028 339 E HA -0.177 4.174 4.350 0.003 0.000 0.191 339 E C 1.887 178.522 176.600 0.058 0.000 0.988 339 E CA 0.844 57.283 56.400 0.065 0.000 0.799 339 E CB -0.373 29.362 29.700 0.058 0.000 0.755 339 E HN 0.476 nan 8.360 nan 0.000 0.447 340 E N 1.116 121.377 120.200 0.101 0.000 2.130 340 E HA -0.216 4.136 4.350 0.003 0.000 0.196 340 E C 2.288 178.908 176.600 0.034 0.000 0.998 340 E CA 1.335 57.825 56.400 0.152 0.000 0.806 340 E CB -0.086 29.838 29.700 0.373 0.000 0.738 340 E HN 0.340 nan 8.360 nan 0.000 0.459 341 Q N -0.335 119.459 119.800 -0.010 0.000 2.079 341 Q HA -0.178 4.164 4.340 0.003 0.000 0.200 341 Q C 2.171 177.933 176.000 -0.397 0.000 0.974 341 Q CA 1.030 56.665 55.803 -0.280 0.000 0.840 341 Q CB -0.150 28.518 28.738 -0.116 0.000 0.898 341 Q HN 0.225 nan 8.270 nan 0.000 0.430 342 M N 0.707 120.279 119.600 -0.047 0.000 2.065 342 M HA -0.152 4.330 4.480 0.003 0.000 0.259 342 M C 2.068 178.392 176.300 0.039 0.000 1.069 342 M CA 1.716 57.073 55.300 0.096 0.000 1.110 342 M CB -0.638 32.032 32.600 0.117 0.000 1.328 342 M HN -0.024 nan 8.290 nan 0.000 0.405 343 S N 0.463 116.149 115.700 -0.023 0.000 2.359 343 S HA -0.133 4.338 4.470 0.003 0.000 0.224 343 S C 1.935 176.489 174.600 -0.077 0.000 1.035 343 S CA 1.716 59.896 58.200 -0.034 0.000 1.018 343 S CB -0.584 62.569 63.200 -0.077 0.000 0.876 343 S HN 0.569 nan 8.310 nan 0.000 0.448 344 I N 0.748 121.187 120.570 -0.219 0.000 2.151 344 I HA -0.232 3.940 4.170 0.003 0.000 0.243 344 I C 1.967 178.062 176.117 -0.038 0.000 1.080 344 I CA 1.301 62.464 61.300 -0.229 0.000 1.339 344 I CB -0.515 37.228 38.000 -0.429 0.000 1.039 344 I HN 0.199 nan 8.210 nan 0.000 0.409 345 F N 1.231 121.242 119.950 0.101 0.000 2.126 345 F HA -0.211 4.318 4.527 0.002 0.000 0.299 345 F C 2.453 178.281 175.800 0.047 0.000 1.096 345 F CA 1.287 59.343 58.000 0.094 0.000 1.255 345 F CB -1.083 37.989 39.000 0.120 0.000 0.997 345 F HN -0.015 nan 8.300 nan 0.000 0.479 346 K N 0.112 120.633 120.400 0.202 0.000 2.097 346 K HA -0.133 4.189 4.320 0.003 0.000 0.206 346 K C 2.116 178.702 176.600 -0.022 0.000 1.049 346 K CA 1.288 57.622 56.287 0.079 0.000 0.933 346 K CB -0.308 32.228 32.500 0.060 0.000 0.717 346 K HN 0.251 nan 8.250 nan 0.000 0.442 347 I N 0.868 121.490 120.570 0.087 0.000 2.202 347 I HA -0.266 3.905 4.170 0.003 0.000 0.242 347 I C 2.090 178.339 176.117 0.219 0.000 1.091 347 I CA 0.788 62.211 61.300 0.205 0.000 1.368 347 I CB -0.253 37.893 38.000 0.243 0.000 1.058 347 I HN 0.105 nan 8.210 nan 0.000 0.410 348 I N 1.305 122.006 120.570 0.219 0.000 2.163 348 I HA -0.280 3.891 4.170 0.003 0.000 0.243 348 I C 2.888 179.103 176.117 0.163 0.000 1.085 348 I CA 1.810 63.255 61.300 0.242 0.000 1.347 348 I CB -1.546 36.544 38.000 0.150 0.000 1.044 348 I HN 0.183 nan 8.210 nan 0.000 0.408 349 A N 0.911 123.740 122.820 0.014 0.000 1.858 349 A HA -0.129 4.192 4.320 0.003 0.000 0.216 349 A C 2.540 179.947 177.584 -0.295 0.000 1.190 349 A CA 2.015 53.938 52.037 -0.189 0.000 0.617 349 A CB -1.464 17.484 19.000 -0.086 0.000 0.827 349 A HN 0.422 nan 8.150 nan 0.000 0.443 350 G N 0.011 108.640 108.800 -0.284 0.000 2.505 350 G HA2 -0.275 3.686 3.960 0.003 0.000 0.220 350 G HA3 -0.275 3.686 3.960 0.003 0.000 0.220 350 G C 1.527 176.452 174.900 0.041 0.000 1.145 350 G CA 1.273 46.062 45.100 -0.519 0.000 0.761 350 G HN 0.486 nan 8.290 nan 0.000 0.571 351 I N 0.292 121.021 120.570 0.265 0.000 2.264 351 I HA -0.155 4.016 4.170 0.003 0.000 0.248 351 I C 2.724 178.988 176.117 0.244 0.000 1.111 351 I CA 0.672 62.224 61.300 0.420 0.000 1.382 351 I CB -0.135 38.156 38.000 0.485 0.000 1.060 351 I HN 0.154 nan 8.210 nan 0.000 0.418 352 L N -0.452 120.756 121.223 -0.026 0.000 2.046 352 L HA -0.239 4.103 4.340 0.003 0.000 0.208 352 L C 2.706 179.482 176.870 -0.156 0.000 1.077 352 L CA 1.155 55.816 54.840 -0.297 0.000 0.747 352 L CB -0.934 40.576 42.059 -0.915 0.000 0.896 352 L HN 0.354 nan 8.230 nan 0.000 0.432 353 H N -0.104 119.000 119.070 0.057 0.000 2.353 353 H HA -0.117 4.440 4.556 0.003 0.000 0.300 353 H C 2.413 177.776 175.328 0.058 0.000 1.090 353 H CA 1.288 57.399 56.048 0.104 0.000 1.327 353 H CB -0.383 29.424 29.762 0.075 0.000 1.383 353 H HN 0.297 nan 8.280 nan 0.000 0.508 354 L N 0.082 121.449 121.223 0.240 0.000 2.079 354 L HA -0.125 4.216 4.340 0.003 0.000 0.210 354 L C 2.756 179.628 176.870 0.004 0.000 1.081 354 L CA 1.233 56.197 54.840 0.207 0.000 0.752 354 L CB -0.701 41.570 42.059 0.354 0.000 0.896 354 L HN 0.318 nan 8.230 nan 0.000 0.433 355 G N -0.716 107.935 108.800 -0.248 0.000 2.470 355 G HA2 -0.233 3.729 3.960 0.003 0.000 0.220 355 G HA3 -0.233 3.729 3.960 0.003 0.000 0.220 355 G C 1.261 175.845 174.900 -0.526 0.000 1.121 355 G CA 0.544 45.021 45.100 -1.039 0.000 0.766 355 G HN 0.330 nan 8.290 nan 0.000 0.553 356 N N 0.035 118.603 118.700 -0.222 0.000 2.336 356 N HA 0.144 4.886 4.740 0.003 0.000 0.189 356 N C 0.538 175.957 175.510 -0.152 0.000 1.113 356 N CA -0.190 52.779 53.050 -0.136 0.000 0.858 356 N CB 0.251 38.725 38.487 -0.022 0.000 0.970 356 N HN 0.276 nan 8.380 nan 0.000 0.471 357 I N 1.272 121.730 120.570 -0.187 0.000 2.662 357 I HA -0.065 4.107 4.170 0.003 0.000 0.285 357 I C 0.829 176.666 176.117 -0.467 0.000 1.161 357 I CA 0.451 61.562 61.300 -0.315 0.000 1.415 357 I CB 0.395 38.177 38.000 -0.362 0.000 1.385 357 I HN -0.218 nan 8.210 nan 0.000 0.552 358 K N 7.769 127.925 120.400 -0.407 0.000 2.307 358 K HA 0.439 4.761 4.320 0.003 0.000 0.263 358 K C -1.262 175.140 176.600 -0.330 0.000 0.973 358 K CA -0.587 55.509 56.287 -0.318 0.000 0.846 358 K CB 0.914 33.334 32.500 -0.134 0.000 1.100 358 K HN 0.282 nan 8.250 nan 0.000 0.438 359 F N 2.931 122.900 119.950 0.031 0.000 2.408 359 F HA 0.264 4.792 4.527 0.002 0.000 0.344 359 F C 0.476 176.295 175.800 0.031 0.000 1.112 359 F CA -0.533 57.490 58.000 0.038 0.000 1.096 359 F CB 1.293 40.323 39.000 0.049 0.000 1.129 359 F HN 0.445 nan 8.300 nan 0.000 0.486 360 E N 1.218 121.542 120.200 0.208 0.000 2.339 360 E HA 0.793 5.144 4.350 0.003 0.000 0.262 360 E C -0.102 176.567 176.600 0.115 0.000 0.934 360 E CA -1.079 55.396 56.400 0.124 0.000 0.802 360 E CB 1.371 31.113 29.700 0.071 0.000 1.275 360 E HN 0.533 nan 8.360 nan 0.000 0.427 361 K N -0.135 120.308 120.400 0.071 0.000 1.950 361 K HA 0.830 5.152 4.320 0.003 0.000 0.259 361 K C 0.974 177.591 176.600 0.030 0.000 1.013 361 K CA -0.134 56.179 56.287 0.044 0.000 1.147 361 K CB -0.235 32.279 32.500 0.023 0.000 2.115 361 K HN 0.901 nan 8.250 nan 0.000 0.877 362 G N -1.732 107.074 108.800 0.011 0.000 2.604 362 G HA2 0.037 3.999 3.960 0.003 0.000 0.205 362 G HA3 0.037 3.999 3.960 0.003 0.000 0.205 362 G C 1.820 176.719 174.900 -0.002 0.000 1.186 362 G CA 1.406 46.510 45.100 0.007 0.000 0.753 362 G HN 1.794 nan 8.290 nan 0.000 0.526 363 A N 0.119 122.939 122.820 0.001 0.000 1.929 363 A HA 0.285 4.606 4.320 0.003 0.000 0.221 363 A C 2.600 180.170 177.584 -0.023 0.000 1.211 363 A CA 3.851 55.885 52.037 -0.004 0.000 0.657 363 A CB -0.765 18.237 19.000 0.004 0.000 0.827 363 A HN 2.385 nan 8.150 nan 0.000 0.462 364 G N -4.516 104.257 108.800 -0.046 0.000 3.420 364 G HA2 0.432 4.393 3.960 0.003 0.000 0.142 364 G HA3 0.432 4.393 3.960 0.003 0.000 0.142 364 G C 0.706 175.568 174.900 -0.064 0.000 1.209 364 G CA 1.146 46.213 45.100 -0.054 0.000 1.454 364 G HN 0.851 nan 8.290 nan 0.000 0.728 365 E N 0.183 120.320 120.200 -0.106 0.000 2.541 365 E HA 0.538 4.890 4.350 0.003 0.000 0.219 365 E C 1.193 177.693 176.600 -0.167 0.000 0.922 365 E CA 0.785 57.124 56.400 -0.103 0.000 1.095 365 E CB 0.414 30.067 29.700 -0.079 0.000 1.112 365 E HN 1.069 nan 8.360 nan 0.000 0.516 366 G N 0.179 108.790 108.800 -0.315 0.000 2.606 366 G HA2 0.520 4.482 3.960 0.003 0.000 0.252 366 G HA3 0.520 4.482 3.960 0.003 0.000 0.252 366 G C 0.366 175.168 174.900 -0.162 0.000 1.206 366 G CA 0.310 45.059 45.100 -0.584 0.000 0.861 366 G HN 0.878 nan 8.290 nan 0.000 0.561 367 A N -0.557 122.307 122.820 0.073 0.000 2.295 367 A HA 0.790 5.111 4.320 0.003 0.000 0.318 367 A C 0.005 177.731 177.584 0.237 0.000 1.134 367 A CA -0.239 51.882 52.037 0.139 0.000 0.827 367 A CB 1.326 20.347 19.000 0.035 0.000 1.136 367 A HN 1.870 nan 8.150 nan 0.000 0.493 368 V N -1.063 118.979 119.914 0.214 0.000 3.078 368 V HA 0.716 4.838 4.120 0.003 0.000 0.311 368 V C -1.145 175.071 176.094 0.202 0.000 1.138 368 V CA -0.885 61.531 62.300 0.194 0.000 1.007 368 V CB 1.724 33.627 31.823 0.132 0.000 1.045 368 V HN 0.654 nan 8.190 nan 0.000 0.432 369 L N 2.280 123.593 121.223 0.150 0.000 2.371 369 L HA 0.558 4.900 4.340 0.003 0.000 0.262 369 L C 1.090 177.988 176.870 0.046 0.000 1.054 369 L CA 0.116 55.011 54.840 0.093 0.000 0.924 369 L CB 0.459 42.569 42.059 0.084 0.000 1.295 369 L HN 0.898 nan 8.230 nan 0.000 0.441 370 K N 0.613 121.034 120.400 0.035 0.000 1.984 370 K HA -0.063 4.258 4.320 0.003 0.000 0.209 370 K C 0.498 177.098 176.600 -0.001 0.000 1.046 370 K CA 1.028 57.326 56.287 0.018 0.000 0.934 370 K CB 0.117 32.628 32.500 0.017 0.000 0.717 370 K HN 0.534 nan 8.250 nan 0.000 0.438 371 D N -0.074 120.316 120.400 -0.017 0.000 2.345 371 D HA 0.063 4.705 4.640 0.003 0.000 0.247 371 D C -0.204 176.072 176.300 -0.040 0.000 1.108 371 D CA 0.532 54.513 54.000 -0.033 0.000 0.894 371 D CB 1.190 41.962 40.800 -0.046 0.000 1.203 371 D HN -0.055 nan 8.370 nan 0.000 0.430 372 K N 1.045 121.420 120.400 -0.041 0.000 2.520 372 K HA 0.139 4.461 4.320 0.003 0.000 0.206 372 K C 1.296 177.861 176.600 -0.060 0.000 1.122 372 K CA -0.119 56.143 56.287 -0.042 0.000 1.045 372 K CB 0.605 33.088 32.500 -0.028 0.000 0.932 372 K HN 0.335 nan 8.250 nan 0.000 0.571 373 T N 0.577 115.090 114.554 -0.069 0.000 2.569 373 T HA -0.230 4.122 4.350 0.003 0.000 0.263 373 T C 1.901 176.528 174.700 -0.121 0.000 1.074 373 T CA 1.866 63.911 62.100 -0.091 0.000 1.176 373 T CB -0.329 68.489 68.868 -0.082 0.000 0.863 373 T HN 0.340 nan 8.240 nan 0.000 0.410 374 A N 1.053 123.813 122.820 -0.099 0.000 1.927 374 A HA -0.136 4.185 4.320 0.003 0.000 0.220 374 A C 2.334 179.885 177.584 -0.055 0.000 1.185 374 A CA 1.920 53.911 52.037 -0.077 0.000 0.639 374 A CB -1.103 17.884 19.000 -0.022 0.000 0.820 374 A HN 0.480 nan 8.150 nan 0.000 0.451 375 L N -0.088 121.111 121.223 -0.040 0.000 2.042 375 L HA -0.231 4.110 4.340 0.003 0.000 0.210 375 L C 2.179 179.039 176.870 -0.017 0.000 1.076 375 L CA 2.059 56.900 54.840 0.002 0.000 0.749 375 L CB -0.395 41.665 42.059 0.002 0.000 0.893 375 L HN 0.394 nan 8.230 nan 0.000 0.432 376 N N -0.168 118.485 118.700 -0.079 0.000 2.142 376 N HA -0.137 4.605 4.740 0.003 0.000 0.186 376 N C 1.802 177.195 175.510 -0.195 0.000 1.023 376 N CA 1.409 54.389 53.050 -0.116 0.000 0.852 376 N CB -0.285 38.124 38.487 -0.131 0.000 0.998 376 N HN 0.512 nan 8.380 nan 0.000 0.424 377 A N 1.355 123.990 122.820 -0.308 0.000 1.858 377 A HA -0.007 4.315 4.320 0.003 0.000 0.216 377 A C 2.417 179.841 177.584 -0.266 0.000 1.190 377 A CA 2.069 53.779 52.037 -0.545 0.000 0.617 377 A CB -0.966 17.461 19.000 -0.956 0.000 0.827 377 A HN 0.312 nan 8.150 nan 0.000 0.443 378 A N -0.630 122.156 122.820 -0.056 0.000 1.902 378 A HA -0.091 4.231 4.320 0.003 0.000 0.217 378 A C 2.445 180.141 177.584 0.187 0.000 1.181 378 A CA 2.166 54.281 52.037 0.130 0.000 0.623 378 A CB -0.993 18.223 19.000 0.360 0.000 0.818 378 A HN 0.462 nan 8.150 nan 0.000 0.443 379 S N -0.267 115.515 115.700 0.137 0.000 2.365 379 S HA -0.175 4.297 4.470 0.003 0.000 0.225 379 S C 2.084 176.723 174.600 0.065 0.000 1.039 379 S CA 1.990 60.253 58.200 0.104 0.000 1.033 379 S CB -0.687 62.522 63.200 0.015 0.000 0.887 379 S HN 0.748 nan 8.310 nan 0.000 0.447 380 T N 2.484 117.033 114.554 -0.009 0.000 2.622 380 T HA -0.130 4.221 4.350 0.003 0.000 0.266 380 T C 2.151 176.862 174.700 0.018 0.000 1.047 380 T CA 1.763 63.853 62.100 -0.017 0.000 1.159 380 T CB -0.912 67.911 68.868 -0.076 0.000 0.863 380 T HN 0.458 nan 8.240 nan 0.000 0.422 381 V N -0.612 119.291 119.914 -0.017 0.000 2.469 381 V HA -0.096 4.025 4.120 0.003 0.000 0.251 381 V C 2.055 178.143 176.094 -0.009 0.000 1.064 381 V CA 1.587 63.864 62.300 -0.037 0.000 1.066 381 V CB -1.356 30.425 31.823 -0.071 0.000 0.667 381 V HN 0.486 nan 8.190 nan 0.000 0.461 382 F N 1.848 121.865 119.950 0.111 0.000 2.615 382 F HA 0.436 4.965 4.527 0.002 0.000 0.297 382 F C 1.993 177.807 175.800 0.023 0.000 1.124 382 F CA 0.579 58.649 58.000 0.118 0.000 1.451 382 F CB -0.153 38.959 39.000 0.186 0.000 1.103 382 F HN 0.435 nan 8.300 nan 0.000 0.569 383 G N 1.621 110.518 108.800 0.161 0.000 2.256 383 G HA2 -0.162 3.800 3.960 0.003 0.000 0.272 383 G HA3 -0.162 3.800 3.960 0.003 0.000 0.272 383 G C -0.355 174.530 174.900 -0.025 0.000 1.076 383 G CA 0.148 45.282 45.100 0.057 0.000 0.882 383 G HN 0.455 nan 8.290 nan 0.000 0.497 384 V N -3.562 116.310 119.914 -0.071 0.000 3.141 384 V HA 0.798 4.919 4.120 0.003 0.000 0.312 384 V C 0.259 176.264 176.094 -0.148 0.000 1.157 384 V CA -1.853 60.324 62.300 -0.204 0.000 1.041 384 V CB 2.053 33.570 31.823 -0.510 0.000 1.071 384 V HN 0.228 nan 8.190 nan 0.000 0.441 385 N N 2.836 121.439 118.700 -0.161 0.000 2.405 385 N HA 0.322 5.064 4.740 0.003 0.000 0.260 385 N C -1.630 173.821 175.510 -0.099 0.000 1.152 385 N CA -1.783 51.202 53.050 -0.108 0.000 0.948 385 N CB 1.506 39.938 38.487 -0.093 0.000 1.111 385 N HN 0.521 nan 8.380 nan 0.000 0.485 386 P HA -0.139 nan 4.420 nan 0.000 0.217 386 P C 0.909 178.192 177.300 -0.029 0.000 1.148 386 P CA 1.361 64.439 63.100 -0.038 0.000 0.828 386 P CB 0.154 31.836 31.700 -0.029 0.000 0.783 387 S N -1.192 114.487 115.700 -0.035 0.000 2.414 387 S HA -0.039 4.432 4.470 0.003 0.000 0.227 387 S C 2.053 176.634 174.600 -0.032 0.000 1.022 387 S CA 0.732 58.916 58.200 -0.026 0.000 0.958 387 S CB -1.548 61.637 63.200 -0.025 0.000 0.797 387 S HN -0.031 nan 8.310 nan 0.000 0.493 388 V N 1.953 121.835 119.914 -0.053 0.000 2.358 388 V HA -0.083 4.039 4.120 0.003 0.000 0.246 388 V C 2.380 178.441 176.094 -0.054 0.000 1.047 388 V CA 1.404 63.666 62.300 -0.064 0.000 1.035 388 V CB -0.787 30.977 31.823 -0.098 0.000 0.658 388 V HN 0.371 nan 8.190 nan 0.000 0.452 389 L N 0.299 121.485 121.223 -0.062 0.000 1.994 389 L HA -0.164 4.177 4.340 0.003 0.000 0.208 389 L C 2.386 179.283 176.870 0.045 0.000 1.071 389 L CA 2.050 56.879 54.840 -0.019 0.000 0.745 389 L CB -0.965 41.081 42.059 -0.022 0.000 0.892 389 L HN 0.370 nan 8.230 nan 0.000 0.431 390 E N -0.704 119.520 120.200 0.039 0.000 2.049 390 E HA -0.263 4.088 4.350 0.003 0.000 0.198 390 E C 2.130 178.756 176.600 0.042 0.000 1.007 390 E CA 1.600 58.039 56.400 0.066 0.000 0.809 390 E CB 0.033 29.756 29.700 0.039 0.000 0.749 390 E HN 0.427 nan 8.360 nan 0.000 0.450 391 K N -0.261 120.141 120.400 0.003 0.000 2.057 391 K HA -0.092 4.229 4.320 0.003 0.000 0.206 391 K C 2.090 178.680 176.600 -0.017 0.000 1.050 391 K CA 0.929 57.201 56.287 -0.026 0.000 0.935 391 K CB -0.193 32.285 32.500 -0.036 0.000 0.715 391 K HN 0.087 nan 8.250 nan 0.000 0.439 392 A N 1.315 124.137 122.820 0.004 0.000 2.070 392 A HA -0.099 4.223 4.320 0.003 0.000 0.220 392 A C 2.166 179.772 177.584 0.037 0.000 1.159 392 A CA 1.130 53.179 52.037 0.020 0.000 0.656 392 A CB -0.421 18.599 19.000 0.034 0.000 0.800 392 A HN 0.145 nan 8.150 nan 0.000 0.453 393 L N -1.900 119.357 121.223 0.057 0.000 2.102 393 L HA 0.022 4.364 4.340 0.003 0.000 0.202 393 L C 2.667 179.517 176.870 -0.033 0.000 1.076 393 L CA 1.089 55.968 54.840 0.065 0.000 0.761 393 L CB -0.267 41.909 42.059 0.195 0.000 0.921 393 L HN 0.351 nan 8.230 nan 0.000 0.444 394 M N -1.261 118.317 119.600 -0.036 0.000 2.516 394 M HA 0.053 4.535 4.480 0.003 0.000 0.259 394 M C 0.089 176.311 176.300 -0.129 0.000 1.146 394 M CA 0.796 56.036 55.300 -0.099 0.000 1.122 394 M CB 0.515 33.073 32.600 -0.071 0.000 1.341 394 M HN 0.093 nan 8.290 nan 0.000 0.478 395 E N 1.198 121.328 120.200 -0.117 0.000 3.846 395 E HA 0.246 4.597 4.350 0.003 0.000 0.216 395 E C -2.500 174.064 176.600 -0.059 0.000 1.092 395 E CA -1.617 54.707 56.400 -0.127 0.000 1.370 395 E CB 0.327 29.918 29.700 -0.182 0.000 1.227 395 E HN 0.139 nan 8.360 nan 0.000 0.442 396 P HA 0.007 nan 4.420 nan 0.000 0.268 396 P C -0.294 177.000 177.300 -0.009 0.000 1.204 396 P CA 0.062 63.154 63.100 -0.012 0.000 0.768 396 P CB 0.621 32.322 31.700 0.000 0.000 0.842 397 R N 2.828 123.325 120.500 -0.005 0.000 2.298 397 R HA 0.460 4.801 4.340 0.003 0.000 0.310 397 R C 0.050 176.352 176.300 0.004 0.000 1.068 397 R CA -0.473 55.626 56.100 -0.002 0.000 0.957 397 R CB 0.098 30.397 30.300 -0.003 0.000 1.003 397 R HN 0.452 nan 8.270 nan 0.000 0.454 398 I N 2.826 123.399 120.570 0.005 0.000 2.530 398 I HA 0.167 4.338 4.170 0.003 0.000 0.297 398 I C -0.725 175.396 176.117 0.006 0.000 1.011 398 I CA -0.961 60.343 61.300 0.007 0.000 1.107 398 I CB 1.752 39.758 38.000 0.009 0.000 1.285 398 I HN 0.339 nan 8.210 nan 0.000 0.436 399 L N 6.423 127.649 121.223 0.005 0.000 2.325 399 L HA 0.520 4.861 4.340 0.003 0.000 0.284 399 L C 0.359 177.230 176.870 0.003 0.000 1.089 399 L CA 0.060 54.903 54.840 0.003 0.000 0.836 399 L CB 0.415 42.475 42.059 0.002 0.000 1.184 399 L HN 0.700 nan 8.230 nan 0.000 0.444 400 A N 4.500 127.322 122.820 0.004 0.000 3.245 400 A HA 0.577 4.898 4.320 0.003 0.000 0.282 400 A C 1.345 178.930 177.584 0.003 0.000 1.417 400 A CA 0.203 52.242 52.037 0.004 0.000 1.149 400 A CB -0.988 18.015 19.000 0.007 0.000 1.155 400 A HN 1.322 nan 8.150 nan 0.000 0.602 401 G N 1.448 110.248 108.800 -0.000 0.000 5.218 401 G HA2 -0.412 3.549 3.960 0.003 0.000 0.342 401 G HA3 -0.412 3.549 3.960 0.003 0.000 0.342 401 G C 1.601 176.500 174.900 -0.001 0.000 1.391 401 G CA 1.008 46.107 45.100 -0.002 0.000 1.096 401 G HN 0.574 nan 8.290 nan 0.000 0.831 402 R N 1.023 121.524 120.500 0.001 0.000 2.090 402 R HA 0.101 4.442 4.340 0.003 0.000 0.219 402 R C -0.075 176.226 176.300 0.002 0.000 1.100 402 R CA 0.932 57.033 56.100 0.001 0.000 0.991 402 R CB -0.255 30.047 30.300 0.002 0.000 0.893 402 R HN 0.464 nan 8.270 nan 0.000 0.443 403 D N 1.295 121.696 120.400 0.003 0.000 2.312 403 D HA 0.110 4.752 4.640 0.003 0.000 0.252 403 D C -0.515 175.787 176.300 0.003 0.000 1.150 403 D CA 0.052 54.054 54.000 0.003 0.000 0.870 403 D CB 1.373 42.175 40.800 0.005 0.000 1.153 403 D HN 0.001 nan 8.370 nan 0.000 0.457 404 L N 3.237 124.461 121.223 0.003 0.000 2.287 404 L HA 0.381 4.722 4.340 0.003 0.000 0.280 404 L C -1.424 175.448 176.870 0.003 0.000 1.055 404 L CA -0.490 54.352 54.840 0.003 0.000 0.863 404 L CB 0.359 42.419 42.059 0.002 0.000 1.245 404 L HN 0.049 nan 8.230 nan 0.000 0.432 405 V N 3.869 123.786 119.914 0.004 0.000 2.540 405 V HA 0.574 4.696 4.120 0.003 0.000 0.302 405 V C 0.459 176.556 176.094 0.005 0.000 1.035 405 V CA -0.735 61.568 62.300 0.005 0.000 0.873 405 V CB 1.625 33.453 31.823 0.008 0.000 0.992 405 V HN 0.801 nan 8.190 nan 0.000 0.428 406 A N 4.644 127.464 122.820 0.001 0.000 2.404 406 A HA 0.469 4.790 4.320 0.003 0.000 0.273 406 A C 0.251 177.840 177.584 0.007 0.000 1.144 406 A CA -0.318 51.716 52.037 -0.004 0.000 0.806 406 A CB 0.054 19.042 19.000 -0.020 0.000 1.080 406 A HN 0.792 nan 8.150 nan 0.000 0.509 407 Q N 1.541 121.349 119.800 0.013 0.000 2.259 407 Q HA 0.176 4.517 4.340 0.003 0.000 0.246 407 Q C -0.765 175.273 176.000 0.063 0.000 0.920 407 Q CA -0.407 55.419 55.803 0.039 0.000 0.895 407 Q CB 1.444 30.200 28.738 0.031 0.000 1.220 407 Q HN 0.761 nan 8.270 nan 0.000 0.439 408 H N 3.055 122.116 119.070 -0.015 0.000 2.641 408 H HA 0.331 4.889 4.556 0.003 0.000 0.295 408 H C -0.817 174.491 175.328 -0.034 0.000 1.070 408 H CA -0.507 55.529 56.048 -0.021 0.000 1.257 408 H CB -0.145 29.610 29.762 -0.012 0.000 1.393 408 H HN 0.447 nan 8.280 nan 0.000 0.464 409 L N 4.111 125.502 121.223 0.279 0.000 2.395 409 L HA 0.173 4.514 4.340 0.003 0.000 0.269 409 L C 1.070 177.964 176.870 0.040 0.000 1.133 409 L CA -0.973 53.918 54.840 0.085 0.000 0.812 409 L CB 0.452 42.498 42.059 -0.022 0.000 1.125 409 L HN 0.644 nan 8.230 nan 0.000 0.452 410 N N 1.266 119.946 118.700 -0.033 0.000 2.294 410 N HA 0.035 4.776 4.740 0.003 0.000 0.248 410 N C 0.704 176.168 175.510 -0.076 0.000 1.300 410 N CA -0.605 52.413 53.050 -0.054 0.000 0.925 410 N CB 0.388 38.851 38.487 -0.041 0.000 1.188 410 N HN 0.307 nan 8.380 nan 0.000 0.512 411 V N -0.207 119.685 119.914 -0.037 0.000 2.295 411 V HA -0.237 3.884 4.120 0.003 0.000 0.246 411 V C 2.523 178.597 176.094 -0.034 0.000 1.049 411 V CA 2.337 64.627 62.300 -0.017 0.000 1.024 411 V CB -1.059 30.824 31.823 0.099 0.000 0.648 411 V HN 0.870 nan 8.190 nan 0.000 0.447 412 E N 0.399 120.597 120.200 -0.003 0.000 2.033 412 E HA -0.317 4.034 4.350 0.003 0.000 0.199 412 E C 2.244 178.833 176.600 -0.019 0.000 1.011 412 E CA 1.992 58.399 56.400 0.011 0.000 0.815 412 E CB -0.191 29.516 29.700 0.012 0.000 0.755 412 E HN 0.579 nan 8.360 nan 0.000 0.451 413 K N 0.132 120.505 120.400 -0.046 0.000 2.147 413 K HA -0.074 4.248 4.320 0.003 0.000 0.205 413 K C 2.412 178.940 176.600 -0.119 0.000 1.049 413 K CA 1.355 57.610 56.287 -0.054 0.000 0.936 413 K CB -0.048 32.428 32.500 -0.040 0.000 0.722 413 K HN 0.024 nan 8.250 nan 0.000 0.446 414 S N 0.290 115.836 115.700 -0.256 0.000 2.368 414 S HA -0.124 4.348 4.470 0.003 0.000 0.224 414 S C 2.071 176.407 174.600 -0.440 0.000 1.029 414 S CA 1.153 59.016 58.200 -0.563 0.000 0.988 414 S CB -0.163 62.375 63.200 -1.104 0.000 0.838 414 S HN 0.255 nan 8.310 nan 0.000 0.462 415 S N 0.864 116.477 115.700 -0.145 0.000 2.356 415 S HA -0.065 4.407 4.470 0.003 0.000 0.223 415 S C 2.160 176.872 174.600 0.186 0.000 1.032 415 S CA 1.249 59.600 58.200 0.253 0.000 1.005 415 S CB -0.435 62.932 63.200 0.277 0.000 0.867 415 S HN 0.452 nan 8.310 nan 0.000 0.449 416 S N 0.285 116.039 115.700 0.090 0.000 2.400 416 S HA -0.075 4.396 4.470 0.003 0.000 0.232 416 S C 2.078 176.725 174.600 0.079 0.000 1.025 416 S CA 1.252 59.499 58.200 0.079 0.000 0.993 416 S CB -0.407 62.818 63.200 0.043 0.000 0.808 416 S HN 0.562 nan 8.310 nan 0.000 0.478 417 S N 0.846 116.582 115.700 0.059 0.000 2.371 417 S HA -0.020 4.451 4.470 0.003 0.000 0.224 417 S C 2.111 176.782 174.600 0.118 0.000 1.029 417 S CA 0.658 58.895 58.200 0.062 0.000 0.978 417 S CB -0.277 62.932 63.200 0.015 0.000 0.833 417 S HN 0.436 nan 8.310 nan 0.000 0.466 418 R N 1.239 121.851 120.500 0.188 0.000 2.081 418 R HA -0.112 4.230 4.340 0.003 0.000 0.235 418 R C 1.298 177.737 176.300 0.232 0.000 1.131 418 R CA 2.137 58.395 56.100 0.264 0.000 0.960 418 R CB -1.147 29.403 30.300 0.416 0.000 0.856 418 R HN 0.344 nan 8.270 nan 0.000 0.436 419 D N 0.532 121.064 120.400 0.219 0.000 2.117 419 D HA -0.095 4.546 4.640 0.003 0.000 0.197 419 D C 1.796 178.164 176.300 0.113 0.000 0.987 419 D CA 1.753 55.862 54.000 0.182 0.000 0.829 419 D CB -0.348 40.549 40.800 0.160 0.000 0.961 419 D HN 0.369 nan 8.370 nan 0.000 0.460 420 A N 0.554 123.431 122.820 0.095 0.000 1.940 420 A HA -0.154 4.168 4.320 0.003 0.000 0.219 420 A C 2.153 179.774 177.584 0.062 0.000 1.176 420 A CA 1.125 53.203 52.037 0.068 0.000 0.631 420 A CB -0.694 18.341 19.000 0.058 0.000 0.814 420 A HN 0.276 nan 8.150 nan 0.000 0.446 421 L N -0.293 120.974 121.223 0.073 0.000 2.056 421 L HA -0.087 4.254 4.340 0.003 0.000 0.207 421 L C 2.351 179.238 176.870 0.029 0.000 1.078 421 L CA 1.839 56.697 54.840 0.030 0.000 0.749 421 L CB -0.488 41.584 42.059 0.022 0.000 0.901 421 L HN 0.129 nan 8.230 nan 0.000 0.433 422 V N 0.076 120.052 119.914 0.103 0.000 2.295 422 V HA -0.320 3.801 4.120 0.003 0.000 0.246 422 V C 2.602 178.771 176.094 0.124 0.000 1.049 422 V CA 2.242 64.629 62.300 0.146 0.000 1.024 422 V CB -0.678 31.256 31.823 0.185 0.000 0.648 422 V HN 0.489 nan 8.190 nan 0.000 0.447 423 K N 0.197 120.645 120.400 0.081 0.000 2.097 423 K HA -0.138 4.184 4.320 0.003 0.000 0.206 423 K C 2.269 178.921 176.600 0.087 0.000 1.049 423 K CA 1.481 57.821 56.287 0.088 0.000 0.933 423 K CB -0.401 32.135 32.500 0.060 0.000 0.717 423 K HN 0.491 nan 8.250 nan 0.000 0.442 424 A N 1.518 124.362 122.820 0.039 0.000 1.898 424 A HA -0.101 4.221 4.320 0.003 0.000 0.216 424 A C 2.161 179.708 177.584 -0.061 0.000 1.181 424 A CA 1.095 53.118 52.037 -0.025 0.000 0.620 424 A CB -0.574 18.401 19.000 -0.042 0.000 0.819 424 A HN 0.129 nan 8.150 nan 0.000 0.442 425 L N -2.353 118.862 121.223 -0.013 0.000 2.017 425 L HA -0.204 4.138 4.340 0.003 0.000 0.208 425 L C 2.582 179.495 176.870 0.071 0.000 1.073 425 L CA 1.919 56.761 54.840 0.003 0.000 0.745 425 L CB -0.635 41.463 42.059 0.065 0.000 0.894 425 L HN 0.564 nan 8.230 nan 0.000 0.432 426 Y N 0.518 120.851 120.300 0.054 0.000 2.145 426 Y HA -0.225 4.327 4.550 0.002 0.000 0.286 426 Y C 2.391 178.310 175.900 0.032 0.000 1.145 426 Y CA 1.738 59.883 58.100 0.075 0.000 1.148 426 Y CB -0.493 38.028 38.460 0.102 0.000 0.981 426 Y HN 0.119 nan 8.280 nan 0.000 0.507 427 G N -0.366 108.494 108.800 0.101 0.000 2.422 427 G HA2 -0.238 3.724 3.960 0.003 0.000 0.218 427 G HA3 -0.238 3.724 3.960 0.003 0.000 0.218 427 G C 1.675 176.565 174.900 -0.016 0.000 1.146 427 G CA 0.844 45.963 45.100 0.033 0.000 0.769 427 G HN 0.347 nan 8.290 nan 0.000 0.547 428 R N -0.629 119.827 120.500 -0.074 0.000 2.090 428 R HA 0.107 4.448 4.340 0.003 0.000 0.228 428 R C 2.422 178.673 176.300 -0.081 0.000 1.110 428 R CA 0.819 56.853 56.100 -0.111 0.000 0.973 428 R CB -0.443 29.709 30.300 -0.246 0.000 0.869 428 R HN 0.379 nan 8.270 nan 0.000 0.440 429 L N 0.347 121.498 121.223 -0.120 0.000 2.046 429 L HA -0.129 4.212 4.340 0.003 0.000 0.208 429 L C 1.950 178.732 176.870 -0.147 0.000 1.077 429 L CA 1.636 56.394 54.840 -0.137 0.000 0.747 429 L CB -0.562 41.368 42.059 -0.214 0.000 0.896 429 L HN 0.037 nan 8.230 nan 0.000 0.432 430 F N -0.461 119.259 119.950 -0.384 0.000 2.134 430 F HA -0.219 4.309 4.527 0.002 0.000 0.299 430 F C 2.090 177.734 175.800 -0.261 0.000 1.097 430 F CA 1.770 59.525 58.000 -0.408 0.000 1.264 430 F CB -0.101 38.634 39.000 -0.441 0.000 1.001 430 F HN 0.062 nan 8.300 nan 0.000 0.479 431 L N -1.467 119.715 121.223 -0.069 0.000 2.093 431 L HA -0.225 4.117 4.340 0.003 0.000 0.208 431 L C 2.242 179.030 176.870 -0.138 0.000 1.085 431 L CA 1.509 56.281 54.840 -0.113 0.000 0.755 431 L CB -0.891 41.152 42.059 -0.027 0.000 0.904 431 L HN 0.408 nan 8.230 nan 0.000 0.435 432 W N 0.904 122.059 121.300 -0.242 0.000 2.338 432 W HA -0.218 4.443 4.660 0.003 0.000 0.304 432 W C 2.223 178.601 176.519 -0.235 0.000 1.212 432 W CA 1.487 58.707 57.345 -0.208 0.000 1.264 432 W CB -0.146 29.213 29.460 -0.168 0.000 1.142 432 W HN -0.033 nan 8.180 nan 0.000 0.512 433 L N -0.306 120.783 121.223 -0.223 0.000 2.012 433 L HA -0.296 4.046 4.340 0.003 0.000 0.210 433 L C 2.315 178.907 176.870 -0.463 0.000 1.073 433 L CA 1.618 56.229 54.840 -0.382 0.000 0.748 433 L CB -1.498 40.194 42.059 -0.610 0.000 0.891 433 L HN -0.133 nan 8.230 nan 0.000 0.431 434 V N -0.106 119.486 119.914 -0.537 0.000 2.343 434 V HA -0.318 3.803 4.120 0.003 0.000 0.247 434 V C 2.553 178.425 176.094 -0.370 0.000 1.051 434 V CA 1.974 64.005 62.300 -0.449 0.000 1.036 434 V CB -0.632 30.920 31.823 -0.452 0.000 0.654 434 V HN 0.444 nan 8.190 nan 0.000 0.451 435 K N 0.131 120.297 120.400 -0.389 0.000 2.057 435 K HA -0.243 4.078 4.320 0.003 0.000 0.206 435 K C 2.274 178.597 176.600 -0.462 0.000 1.050 435 K CA 1.505 57.574 56.287 -0.364 0.000 0.935 435 K CB -0.072 32.234 32.500 -0.323 0.000 0.715 435 K HN 0.216 nan 8.250 nan 0.000 0.439 436 K N 1.350 121.343 120.400 -0.678 0.000 2.009 436 K HA -0.102 4.219 4.320 0.003 0.000 0.210 436 K C 1.871 178.131 176.600 -0.567 0.000 1.049 436 K CA 1.618 57.431 56.287 -0.790 0.000 0.929 436 K CB -0.401 31.400 32.500 -1.165 0.000 0.714 436 K HN 0.179 nan 8.250 nan 0.000 0.440 437 I N 0.987 121.295 120.570 -0.437 0.000 2.163 437 I HA -0.351 3.821 4.170 0.003 0.000 0.243 437 I C 1.847 177.807 176.117 -0.261 0.000 1.085 437 I CA 1.309 62.429 61.300 -0.300 0.000 1.347 437 I CB -0.397 37.483 38.000 -0.201 0.000 1.044 437 I HN 0.262 nan 8.210 nan 0.000 0.408 438 N N 1.001 119.547 118.700 -0.257 0.000 2.149 438 N HA -0.181 4.561 4.740 0.003 0.000 0.188 438 N C 1.476 176.863 175.510 -0.205 0.000 1.019 438 N CA 1.399 54.325 53.050 -0.207 0.000 0.857 438 N CB -0.684 37.688 38.487 -0.192 0.000 0.997 438 N HN 0.506 nan 8.380 nan 0.000 0.426 439 N N 0.033 118.584 118.700 -0.249 0.000 2.149 439 N HA -0.100 4.641 4.740 0.003 0.000 0.188 439 N C 1.593 176.980 175.510 -0.204 0.000 1.019 439 N CA 0.756 53.671 53.050 -0.225 0.000 0.857 439 N CB 0.176 38.501 38.487 -0.269 0.000 0.997 439 N HN 0.008 nan 8.380 nan 0.000 0.426 440 V N 0.864 120.639 119.914 -0.232 0.000 2.488 440 V HA -0.092 4.029 4.120 0.003 0.000 0.246 440 V C 1.782 177.788 176.094 -0.147 0.000 1.046 440 V CA 1.311 63.495 62.300 -0.193 0.000 1.053 440 V CB -0.207 31.485 31.823 -0.217 0.000 0.679 440 V HN 0.266 nan 8.190 nan 0.000 0.458 441 L N -1.221 119.915 121.223 -0.145 0.000 2.556 441 L HA 0.224 4.566 4.340 0.003 0.000 0.226 441 L C 1.253 178.057 176.870 -0.110 0.000 1.089 441 L CA -0.030 54.739 54.840 -0.119 0.000 0.864 441 L CB 0.133 42.122 42.059 -0.116 0.000 1.067 441 L HN 0.270 nan 8.230 nan 0.000 0.477 442 C N 1.961 121.190 119.300 -0.118 0.000 2.627 442 C HA 0.345 4.807 4.460 0.003 0.000 0.404 442 C C 1.237 176.176 174.990 -0.084 0.000 1.340 442 C CA -0.835 58.121 59.018 -0.104 0.000 1.758 442 C CB -0.506 27.168 27.740 -0.111 0.000 2.501 442 C HN 0.443 nan 8.230 nan 0.000 0.588 443 S N 4.513 120.172 115.700 -0.069 0.000 2.422 443 S HA 0.291 4.763 4.470 0.003 0.000 0.308 443 S C 0.802 175.379 174.600 -0.040 0.000 1.097 443 S CA -0.503 57.668 58.200 -0.048 0.000 1.099 443 S CB 0.820 64.001 63.200 -0.032 0.000 0.976 443 S HN 0.859 nan 8.310 nan 0.000 0.471 444 E N 3.099 123.275 120.200 -0.040 0.000 2.085 444 E HA -0.134 4.217 4.350 0.003 0.000 0.194 444 E C 1.163 177.750 176.600 -0.022 0.000 0.994 444 E CA 1.218 57.598 56.400 -0.034 0.000 0.801 444 E CB -0.472 29.207 29.700 -0.034 0.000 0.743 444 E HN 0.799 nan 8.360 nan 0.000 0.453 445 R N 1.616 122.107 120.500 -0.015 0.000 2.369 445 R HA 0.659 5.001 4.340 0.003 0.000 0.310 445 R C -0.329 175.974 176.300 0.005 0.000 1.141 445 R CA 0.252 56.347 56.100 -0.007 0.000 1.116 445 R CB 0.313 30.610 30.300 -0.006 0.000 1.135 445 R HN 0.307 nan 8.270 nan 0.000 0.529 446 A N 0.673 123.500 122.820 0.012 0.000 2.340 446 A HA 0.806 5.127 4.320 0.003 0.000 0.331 446 A C 1.178 178.765 177.584 0.006 0.000 1.140 446 A CA 0.047 52.109 52.037 0.043 0.000 0.801 446 A CB 1.543 20.591 19.000 0.081 0.000 1.234 446 A HN 1.216 nan 8.150 nan 0.000 0.469 447 A N 0.767 123.594 122.820 0.011 0.000 1.887 447 A HA 0.503 4.825 4.320 0.003 0.000 0.212 447 A C 0.285 177.537 177.584 -0.554 0.000 1.198 447 A CA 1.068 52.972 52.037 -0.222 0.000 0.628 447 A CB -0.151 18.814 19.000 -0.058 0.000 0.847 447 A HN 0.797 nan 8.150 nan 0.000 0.449 448 Y N -2.316 118.094 120.300 0.183 0.000 2.644 448 Y HA 0.567 5.119 4.550 0.003 0.000 0.338 448 Y C -0.578 175.535 175.900 0.355 0.000 1.119 448 Y CA -1.361 56.833 58.100 0.156 0.000 1.060 448 Y CB 1.580 40.054 38.460 0.023 0.000 1.294 448 Y HN 0.357 nan 8.280 nan 0.000 0.472 449 F N -0.852 119.338 119.950 0.400 0.000 2.645 449 F HA 0.861 5.390 4.527 0.003 0.000 0.310 449 F C -2.093 173.926 175.800 0.365 0.000 1.102 449 F CA -1.470 56.763 58.000 0.388 0.000 0.952 449 F CB 1.377 40.502 39.000 0.209 0.000 1.326 449 F HN 0.263 nan 8.300 nan 0.000 0.456 450 I N 2.051 122.984 120.570 0.605 0.000 2.439 450 I HA 0.566 4.738 4.170 0.003 0.000 0.285 450 I C -0.097 176.278 176.117 0.430 0.000 1.021 450 I CA -0.812 60.736 61.300 0.414 0.000 1.091 450 I CB 1.814 40.057 38.000 0.405 0.000 1.242 450 I HN 0.981 nan 8.210 nan 0.000 0.439 451 G N 5.655 114.718 108.800 0.438 0.000 2.379 451 G HA2 0.632 4.593 3.960 0.003 0.000 0.327 451 G HA3 0.632 4.593 3.960 0.003 0.000 0.327 451 G C -0.930 173.976 174.900 0.011 0.000 1.145 451 G CA -0.354 44.802 45.100 0.094 0.000 0.905 451 G HN 0.307 nan 8.290 nan 0.000 0.466 452 V N 2.885 122.652 119.914 -0.246 0.000 2.448 452 V HA 0.420 4.541 4.120 0.003 0.000 0.295 452 V C -0.533 175.562 176.094 0.001 0.000 1.025 452 V CA -0.865 61.413 62.300 -0.036 0.000 0.859 452 V CB 1.451 33.270 31.823 -0.007 0.000 0.988 452 V HN 0.645 nan 8.190 nan 0.000 0.431 453 L N 4.243 125.602 121.223 0.226 0.000 2.287 453 L HA 0.695 5.037 4.340 0.003 0.000 0.287 453 L C -0.634 176.337 176.870 0.168 0.000 1.022 453 L CA 0.155 55.186 54.840 0.319 0.000 0.814 453 L CB 1.351 43.609 42.059 0.332 0.000 1.217 453 L HN 0.748 nan 8.230 nan 0.000 0.420 454 D N 6.238 126.720 120.400 0.136 0.000 2.454 454 D HA 0.460 5.101 4.640 0.003 0.000 0.247 454 D C -1.206 175.119 176.300 0.041 0.000 1.129 454 D CA -0.058 53.980 54.000 0.062 0.000 0.877 454 D CB 0.556 41.368 40.800 0.020 0.000 1.082 454 D HN 0.561 nan 8.370 nan 0.000 0.537 455 I N 1.579 122.171 120.570 0.035 0.000 2.918 455 I HA 0.270 4.442 4.170 0.003 0.000 0.301 455 I C -0.328 175.783 176.117 -0.010 0.000 1.312 455 I CA -0.696 60.611 61.300 0.013 0.000 1.007 455 I CB 2.146 40.167 38.000 0.035 0.000 1.281 455 I HN 0.393 nan 8.210 nan 0.000 0.440 456 S N 3.309 118.995 115.700 -0.023 0.000 2.573 456 S HA 0.425 4.897 4.470 0.003 0.000 0.277 456 S C 0.315 174.874 174.600 -0.069 0.000 1.346 456 S CA -0.190 57.993 58.200 -0.027 0.000 1.034 456 S CB 1.156 64.354 63.200 -0.003 0.000 0.879 456 S HN 0.803 nan 8.310 nan 0.000 0.528 457 G N 0.145 108.912 108.800 -0.056 0.000 2.509 457 G HA2 0.515 4.477 3.960 0.003 0.000 0.269 457 G HA3 0.515 4.477 3.960 0.003 0.000 0.269 457 G C -0.584 174.241 174.900 -0.125 0.000 1.416 457 G CA -1.194 43.847 45.100 -0.099 0.000 1.052 457 G HN 0.585 nan 8.290 nan 0.000 0.542 458 F N 0.507 120.417 119.950 -0.066 0.000 2.607 458 F HA 0.134 4.662 4.527 0.003 0.000 0.374 458 F C 1.188 176.873 175.800 -0.191 0.000 1.104 458 F CA 0.844 58.770 58.000 -0.122 0.000 1.296 458 F CB 0.551 39.488 39.000 -0.106 0.000 1.085 458 F HN 0.217 nan 8.300 nan 0.000 0.584 459 E N 4.872 125.016 120.200 -0.093 0.000 2.073 459 E HA 0.378 4.729 4.350 0.003 0.000 0.269 459 E C -0.736 175.475 176.600 -0.648 0.000 0.917 459 E CA -0.281 55.850 56.400 -0.447 0.000 0.757 459 E CB 1.060 30.472 29.700 -0.480 0.000 1.111 459 E HN 0.423 nan 8.360 nan 0.000 0.410 460 I N 4.610 124.760 120.570 -0.700 0.000 2.502 460 I HA 0.287 4.459 4.170 0.003 0.000 0.276 460 I C -0.599 175.230 176.117 -0.479 0.000 1.057 460 I CA -0.501 60.482 61.300 -0.529 0.000 1.163 460 I CB -0.004 37.824 38.000 -0.285 0.000 1.288 460 I HN 0.298 nan 8.210 nan 0.000 0.479 461 F N 3.478 123.397 119.950 -0.052 0.000 2.362 461 F HA 0.469 4.997 4.527 0.002 0.000 0.340 461 F C 1.723 177.494 175.800 -0.049 0.000 1.088 461 F CA -1.000 56.978 58.000 -0.036 0.000 1.096 461 F CB 0.346 39.338 39.000 -0.013 0.000 1.486 461 F HN 0.176 nan 8.300 nan 0.000 0.500 462 K N -0.436 120.094 120.400 0.217 0.000 2.001 462 K HA 0.059 4.380 4.320 0.003 0.000 0.208 462 K C -0.287 176.363 176.600 0.083 0.000 1.048 462 K CA 1.097 57.443 56.287 0.098 0.000 0.932 462 K CB -0.072 32.477 32.500 0.081 0.000 0.715 462 K HN 0.158 nan 8.250 nan 0.000 0.437 463 V N 2.754 122.748 119.914 0.132 0.000 2.384 463 V HA 0.163 4.285 4.120 0.003 0.000 0.287 463 V C -0.885 175.315 176.094 0.176 0.000 1.020 463 V CA -0.855 61.516 62.300 0.118 0.000 0.850 463 V CB 1.424 33.313 31.823 0.109 0.000 0.987 463 V HN 0.252 nan 8.190 nan 0.000 0.436 464 N N 3.123 121.890 118.700 0.113 0.000 2.392 464 N HA 0.473 5.214 4.740 0.003 0.000 0.283 464 N C -0.329 175.402 175.510 0.368 0.000 1.003 464 N CA -0.149 52.992 53.050 0.152 0.000 0.892 464 N CB 2.247 40.635 38.487 -0.164 0.000 1.193 464 N HN 0.591 nan 8.380 nan 0.000 0.487 465 S N 0.608 116.564 115.700 0.428 0.000 2.753 465 S HA 0.356 4.827 4.470 0.003 0.000 0.302 465 S C 0.986 175.760 174.600 0.290 0.000 1.104 465 S CA -0.566 57.961 58.200 0.544 0.000 0.968 465 S CB 0.415 63.848 63.200 0.388 0.000 1.278 465 S HN 0.437 nan 8.310 nan 0.000 0.549 466 F N 2.108 121.774 119.950 -0.473 0.000 2.091 466 F HA -0.096 4.432 4.527 0.003 0.000 0.299 466 F C 1.900 177.426 175.800 -0.456 0.000 1.103 466 F CA 2.556 59.869 58.000 -1.145 0.000 1.228 466 F CB -0.752 37.446 39.000 -1.336 0.000 0.984 466 F HN 0.660 nan 8.300 nan 0.000 0.477 467 E N 0.023 119.985 120.200 -0.396 0.000 2.118 467 E HA -0.253 4.098 4.350 0.003 0.000 0.195 467 E C 2.055 178.513 176.600 -0.235 0.000 0.992 467 E CA 1.657 57.843 56.400 -0.357 0.000 0.804 467 E CB -0.390 29.248 29.700 -0.104 0.000 0.741 467 E HN 0.440 nan 8.360 nan 0.000 0.458 468 Q N -0.071 119.714 119.800 -0.026 0.000 2.119 468 Q HA -0.050 4.292 4.340 0.003 0.000 0.201 468 Q C 2.062 178.144 176.000 0.136 0.000 0.972 468 Q CA 0.662 56.519 55.803 0.089 0.000 0.847 468 Q CB -0.263 28.586 28.738 0.185 0.000 0.903 468 Q HN 0.258 nan 8.270 nan 0.000 0.433 469 L N -0.386 120.888 121.223 0.086 0.000 2.046 469 L HA -0.182 4.159 4.340 0.003 0.000 0.208 469 L C 1.849 178.685 176.870 -0.057 0.000 1.077 469 L CA 1.675 56.494 54.840 -0.036 0.000 0.747 469 L CB -0.651 41.194 42.059 -0.356 0.000 0.896 469 L HN 0.270 nan 8.230 nan 0.000 0.432 470 C N -0.467 118.653 119.300 -0.300 0.000 2.413 470 C HA -0.171 4.290 4.460 0.003 0.000 0.276 470 C C 2.707 177.626 174.990 -0.119 0.000 1.236 470 C CA 0.626 59.479 59.018 -0.275 0.000 1.735 470 C CB -1.026 26.264 27.740 -0.750 0.000 2.031 470 C HN 0.561 nan 8.230 nan 0.000 0.474 471 I N 1.662 122.133 120.570 -0.163 0.000 2.315 471 I HA -0.116 4.055 4.170 0.003 0.000 0.248 471 I C 1.983 178.013 176.117 -0.144 0.000 1.117 471 I CA 1.641 62.859 61.300 -0.138 0.000 1.404 471 I CB -1.058 36.869 38.000 -0.122 0.000 1.071 471 I HN 0.438 nan 8.210 nan 0.000 0.419 472 N N 0.059 118.729 118.700 -0.049 0.000 2.216 472 N HA -0.212 4.530 4.740 0.003 0.000 0.183 472 N C 1.826 177.416 175.510 0.134 0.000 1.017 472 N CA 0.840 53.858 53.050 -0.052 0.000 0.861 472 N CB -0.594 37.827 38.487 -0.110 0.000 0.986 472 N HN 0.323 nan 8.380 nan 0.000 0.428 473 Y N 2.413 122.776 120.300 0.105 0.000 2.145 473 Y HA -0.148 4.403 4.550 0.002 0.000 0.286 473 Y C 2.123 178.045 175.900 0.036 0.000 1.145 473 Y CA 1.356 59.538 58.100 0.138 0.000 1.148 473 Y CB -0.871 37.655 38.460 0.111 0.000 0.981 473 Y HN -0.031 nan 8.280 nan 0.000 0.507 474 T N 1.239 115.697 114.554 -0.161 0.000 2.684 474 T HA -0.211 4.141 4.350 0.003 0.000 0.267 474 T C 1.774 176.293 174.700 -0.302 0.000 1.036 474 T CA 1.694 63.614 62.100 -0.301 0.000 1.148 474 T CB -0.346 68.413 68.868 -0.182 0.000 0.863 474 T HN 0.454 nan 8.240 nan 0.000 0.436 475 N N 0.632 119.083 118.700 -0.415 0.000 2.223 475 N HA -0.090 4.651 4.740 0.003 0.000 0.185 475 N C 1.904 177.207 175.510 -0.345 0.000 1.016 475 N CA 0.781 53.436 53.050 -0.658 0.000 0.863 475 N CB -0.112 37.441 38.487 -1.557 0.000 0.983 475 N HN 0.361 nan 8.380 nan 0.000 0.429 476 E N 1.438 121.617 120.200 -0.035 0.000 2.077 476 E HA -0.094 4.257 4.350 0.003 0.000 0.193 476 E C 1.795 178.435 176.600 0.067 0.000 0.989 476 E CA 0.911 57.451 56.400 0.233 0.000 0.800 476 E CB -0.051 29.870 29.700 0.369 0.000 0.746 476 E HN 0.366 nan 8.360 nan 0.000 0.452 477 K N 0.222 120.596 120.400 -0.043 0.000 2.057 477 K HA -0.024 4.297 4.320 0.003 0.000 0.206 477 K C 2.346 178.930 176.600 -0.027 0.000 1.050 477 K CA 0.711 56.954 56.287 -0.073 0.000 0.935 477 K CB -0.118 32.259 32.500 -0.206 0.000 0.715 477 K HN 0.068 nan 8.250 nan 0.000 0.439 478 L N 0.662 121.854 121.223 -0.051 0.000 2.093 478 L HA -0.212 4.130 4.340 0.003 0.000 0.208 478 L C 2.681 179.662 176.870 0.186 0.000 1.085 478 L CA 1.038 55.926 54.840 0.079 0.000 0.755 478 L CB -0.337 41.734 42.059 0.019 0.000 0.904 478 L HN 0.200 nan 8.230 nan 0.000 0.435 479 Q N 0.427 120.251 119.800 0.039 0.000 2.084 479 Q HA -0.273 4.068 4.340 0.003 0.000 0.202 479 Q C 2.167 178.167 176.000 0.000 0.000 0.978 479 Q CA 1.880 57.667 55.803 -0.028 0.000 0.844 479 Q CB -0.224 28.354 28.738 -0.268 0.000 0.898 479 Q HN 0.447 nan 8.270 nan 0.000 0.426 480 Q N -1.039 118.747 119.800 -0.023 0.000 2.084 480 Q HA -0.203 4.139 4.340 0.003 0.000 0.202 480 Q C 1.964 177.841 176.000 -0.205 0.000 0.978 480 Q CA 1.657 57.372 55.803 -0.146 0.000 0.844 480 Q CB -0.389 28.293 28.738 -0.094 0.000 0.898 480 Q HN 0.557 nan 8.270 nan 0.000 0.426 481 F N 0.244 120.126 119.950 -0.113 0.000 2.134 481 F HA -0.240 4.289 4.527 0.003 0.000 0.299 481 F C 1.874 177.699 175.800 0.042 0.000 1.097 481 F CA 1.538 59.542 58.000 0.007 0.000 1.264 481 F CB -0.329 38.724 39.000 0.089 0.000 1.001 481 F HN 0.232 nan 8.300 nan 0.000 0.479 482 F N 1.674 121.566 119.950 -0.096 0.000 2.095 482 F HA -0.287 4.241 4.527 0.002 0.000 0.298 482 F C 2.204 177.823 175.800 -0.302 0.000 1.104 482 F CA 2.145 59.888 58.000 -0.429 0.000 1.232 482 F CB -0.744 37.956 39.000 -0.500 0.000 0.987 482 F HN -0.067 nan 8.300 nan 0.000 0.475 483 N N -0.296 118.286 118.700 -0.196 0.000 2.166 483 N HA -0.187 4.555 4.740 0.003 0.000 0.186 483 N C 1.716 177.133 175.510 -0.154 0.000 1.019 483 N CA 1.450 54.394 53.050 -0.177 0.000 0.856 483 N CB -0.712 37.745 38.487 -0.050 0.000 0.993 483 N HN 0.425 nan 8.380 nan 0.000 0.426 484 H N -0.549 118.433 119.070 -0.147 0.000 2.357 484 H HA -0.057 4.500 4.556 0.002 0.000 0.301 484 H C 1.945 177.193 175.328 -0.133 0.000 1.082 484 H CA 1.204 57.171 56.048 -0.134 0.000 1.342 484 H CB -0.627 29.083 29.762 -0.087 0.000 1.389 484 H HN 0.442 nan 8.280 nan 0.000 0.511 485 H N 0.423 119.325 119.070 -0.280 0.000 2.321 485 H HA -0.103 4.455 4.556 0.003 0.000 0.300 485 H C 2.511 177.623 175.328 -0.361 0.000 1.087 485 H CA 1.946 57.776 56.048 -0.363 0.000 1.319 485 H CB -0.203 29.214 29.762 -0.575 0.000 1.379 485 H HN 0.246 nan 8.280 nan 0.000 0.501 486 M N -0.756 118.448 119.600 -0.661 0.000 2.159 486 M HA -0.150 4.331 4.480 0.003 0.000 0.263 486 M C 1.872 177.993 176.300 -0.298 0.000 1.063 486 M CA 1.747 56.692 55.300 -0.592 0.000 1.110 486 M CB -0.273 31.889 32.600 -0.731 0.000 1.374 486 M HN 0.393 nan 8.290 nan 0.000 0.411 487 F N 1.310 121.077 119.950 -0.306 0.000 2.046 487 F HA -0.260 4.268 4.527 0.003 0.000 0.297 487 F C 2.099 177.788 175.800 -0.185 0.000 1.123 487 F CA 2.025 59.918 58.000 -0.179 0.000 1.199 487 F CB -0.347 38.595 39.000 -0.097 0.000 0.972 487 F HN 0.044 nan 8.300 nan 0.000 0.474 488 K N 0.158 120.587 120.400 0.048 0.000 2.009 488 K HA -0.180 4.142 4.320 0.003 0.000 0.210 488 K C 2.053 178.510 176.600 -0.239 0.000 1.049 488 K CA 1.874 58.111 56.287 -0.083 0.000 0.929 488 K CB -0.874 31.592 32.500 -0.058 0.000 0.714 488 K HN 0.232 nan 8.250 nan 0.000 0.440 489 V N 1.638 121.360 119.914 -0.319 0.000 2.392 489 V HA -0.218 3.903 4.120 0.003 0.000 0.249 489 V C 2.251 178.246 176.094 -0.165 0.000 1.059 489 V CA 1.732 63.868 62.300 -0.274 0.000 1.051 489 V CB -0.360 31.224 31.823 -0.399 0.000 0.658 489 V HN 0.283 nan 8.190 nan 0.000 0.455 490 E N -0.387 119.701 120.200 -0.187 0.000 2.072 490 E HA -0.180 4.171 4.350 0.003 0.000 0.190 490 E C 2.216 178.770 176.600 -0.077 0.000 0.982 490 E CA 1.080 57.432 56.400 -0.079 0.000 0.803 490 E CB -0.383 29.230 29.700 -0.144 0.000 0.755 490 E HN 0.625 nan 8.360 nan 0.000 0.453 491 Q N 0.377 120.006 119.800 -0.285 0.000 2.135 491 Q HA -0.208 4.133 4.340 0.003 0.000 0.204 491 Q C 1.970 177.911 176.000 -0.098 0.000 0.981 491 Q CA 1.544 57.176 55.803 -0.285 0.000 0.856 491 Q CB -0.003 28.433 28.738 -0.504 0.000 0.902 491 Q HN 0.306 nan 8.270 nan 0.000 0.425 492 E N -0.451 119.697 120.200 -0.088 0.000 2.072 492 E HA -0.215 4.136 4.350 0.003 0.000 0.191 492 E C 2.075 178.686 176.600 0.017 0.000 0.985 492 E CA 1.370 57.747 56.400 -0.038 0.000 0.801 492 E CB 0.081 29.749 29.700 -0.053 0.000 0.750 492 E HN 0.530 nan 8.360 nan 0.000 0.452 493 E N 0.136 120.374 120.200 0.064 0.000 2.110 493 E HA -0.222 4.130 4.350 0.003 0.000 0.193 493 E C 1.591 178.250 176.600 0.097 0.000 0.988 493 E CA 1.527 57.990 56.400 0.105 0.000 0.804 493 E CB -1.061 28.720 29.700 0.135 0.000 0.745 493 E HN 0.471 nan 8.360 nan 0.000 0.458 494 Y N -0.266 120.014 120.300 -0.034 0.000 2.181 494 Y HA -0.093 4.458 4.550 0.002 0.000 0.288 494 Y C 2.397 178.204 175.900 -0.154 0.000 1.146 494 Y CA 1.129 59.158 58.100 -0.119 0.000 1.164 494 Y CB 0.005 38.400 38.460 -0.108 0.000 0.982 494 Y HN 0.206 nan 8.280 nan 0.000 0.515 495 L N 0.241 121.489 121.223 0.042 0.000 1.994 495 L HA -0.214 4.127 4.340 0.003 0.000 0.208 495 L C 2.155 178.999 176.870 -0.045 0.000 1.071 495 L CA 1.743 56.574 54.840 -0.015 0.000 0.745 495 L CB -0.964 41.087 42.059 -0.013 0.000 0.892 495 L HN 0.016 nan 8.230 nan 0.000 0.431 496 K N -0.590 119.791 120.400 -0.032 0.000 2.160 496 K HA -0.170 4.151 4.320 0.003 0.000 0.206 496 K C 1.728 178.292 176.600 -0.060 0.000 1.047 496 K CA 1.263 57.530 56.287 -0.032 0.000 0.930 496 K CB 0.022 32.515 32.500 -0.012 0.000 0.720 496 K HN 0.316 nan 8.250 nan 0.000 0.450 497 E N -0.124 120.002 120.200 -0.123 0.000 2.472 497 E HA -0.019 4.332 4.350 0.003 0.000 0.196 497 E C -0.177 176.277 176.600 -0.244 0.000 1.033 497 E CA 0.054 56.331 56.400 -0.205 0.000 0.886 497 E CB 0.665 30.161 29.700 -0.340 0.000 0.944 497 E HN 0.131 nan 8.360 nan 0.000 0.492 498 K N 1.140 121.422 120.400 -0.197 0.000 3.161 498 K HA -0.146 4.175 4.320 0.003 0.000 0.270 498 K C -0.403 176.055 176.600 -0.237 0.000 1.115 498 K CA 0.200 56.388 56.287 -0.165 0.000 0.789 498 K CB -1.372 31.062 32.500 -0.110 0.000 1.256 498 K HN 0.151 nan 8.250 nan 0.000 0.492 499 I N -0.842 119.531 120.570 -0.328 0.000 3.076 499 I HA 0.267 4.439 4.170 0.003 0.000 0.313 499 I C 1.177 177.215 176.117 -0.132 0.000 1.053 499 I CA -0.241 60.825 61.300 -0.390 0.000 1.048 499 I CB 1.209 38.687 38.000 -0.869 0.000 1.264 499 I HN 0.329 nan 8.210 nan 0.000 0.498 509 D N -0.602 119.855 120.400 0.095 0.000 2.219 509 D HA -0.056 4.586 4.640 0.003 0.000 0.205 509 D C 2.030 178.400 176.300 0.117 0.000 0.970 509 D CA 2.000 56.059 54.000 0.098 0.000 0.851 509 D CB 0.503 41.363 40.800 0.101 0.000 0.943 509 D HN 0.555 nan 8.370 nan 0.000 0.488 510 S N -0.544 115.233 115.700 0.129 0.000 2.368 510 S HA -0.210 4.261 4.470 0.003 0.000 0.225 510 S C 1.766 176.441 174.600 0.126 0.000 1.030 510 S CA 1.050 59.334 58.200 0.140 0.000 0.999 510 S CB -0.222 63.040 63.200 0.103 0.000 0.844 510 S HN 0.221 nan 8.310 nan 0.000 0.459 511 Q N 1.270 121.134 119.800 0.107 0.000 2.096 511 Q HA 0.026 4.367 4.340 0.003 0.000 0.204 511 Q C 2.059 178.112 176.000 0.088 0.000 0.982 511 Q CA 1.884 57.747 55.803 0.100 0.000 0.850 511 Q CB -0.731 28.061 28.738 0.090 0.000 0.901 511 Q HN 0.513 nan 8.270 nan 0.000 0.422 512 A N -0.998 121.869 122.820 0.078 0.000 1.902 512 A HA -0.192 4.130 4.320 0.003 0.000 0.217 512 A C 2.277 179.891 177.584 0.051 0.000 1.181 512 A CA 2.052 54.126 52.037 0.061 0.000 0.623 512 A CB -0.970 18.065 19.000 0.058 0.000 0.818 512 A HN 0.479 nan 8.150 nan 0.000 0.443 513 T N 0.128 114.723 114.554 0.069 0.000 2.777 513 T HA -0.042 4.310 4.350 0.003 0.000 0.266 513 T C 1.789 176.534 174.700 0.073 0.000 1.040 513 T CA 1.409 63.539 62.100 0.051 0.000 1.141 513 T CB -0.377 68.537 68.868 0.076 0.000 0.868 513 T HN 0.411 nan 8.240 nan 0.000 0.444 514 I N 1.427 122.076 120.570 0.131 0.000 2.179 514 I HA -0.192 3.980 4.170 0.003 0.000 0.242 514 I C 2.335 178.506 176.117 0.089 0.000 1.088 514 I CA 1.224 62.630 61.300 0.175 0.000 1.357 514 I CB -0.350 37.774 38.000 0.207 0.000 1.051 514 I HN 0.107 nan 8.210 nan 0.000 0.409 515 D N 0.580 121.018 120.400 0.064 0.000 2.123 515 D HA -0.195 4.447 4.640 0.003 0.000 0.196 515 D C 2.027 178.314 176.300 -0.022 0.000 0.992 515 D CA 1.146 55.166 54.000 0.033 0.000 0.833 515 D CB -0.417 40.409 40.800 0.043 0.000 0.954 515 D HN 0.176 nan 8.370 nan 0.000 0.455 516 L N 0.612 121.797 121.223 -0.063 0.000 2.081 516 L HA -0.162 4.180 4.340 0.003 0.000 0.212 516 L C 1.984 178.716 176.870 -0.231 0.000 1.080 516 L CA 1.490 56.208 54.840 -0.204 0.000 0.754 516 L CB -0.408 41.523 42.059 -0.213 0.000 0.893 516 L HN 0.024 nan 8.230 nan 0.000 0.433 517 I N -0.181 120.298 120.570 -0.151 0.000 2.206 517 I HA -0.143 4.029 4.170 0.003 0.000 0.239 517 I C 1.521 177.496 176.117 -0.235 0.000 1.078 517 I CA 1.450 62.627 61.300 -0.205 0.000 1.367 517 I CB -0.407 37.443 38.000 -0.250 0.000 1.078 517 I HN 0.388 nan 8.210 nan 0.000 0.413 518 D N 0.378 120.648 120.400 -0.218 0.000 2.395 518 D HA 0.091 4.733 4.640 0.003 0.000 0.213 518 D C 0.884 177.165 176.300 -0.031 0.000 1.110 518 D CA -0.130 53.774 54.000 -0.159 0.000 0.835 518 D CB -0.489 40.221 40.800 -0.151 0.000 0.965 518 D HN 0.113 nan 8.370 nan 0.000 0.505 519 G N 0.466 109.261 108.800 -0.010 0.000 2.484 519 G HA2 0.062 4.023 3.960 0.003 0.000 0.235 519 G HA3 0.062 4.023 3.960 0.003 0.000 0.235 519 G C 0.554 175.473 174.900 0.031 0.000 1.282 519 G CA -0.570 44.546 45.100 0.026 0.000 0.857 519 G HN 0.202 nan 8.290 nan 0.000 0.571 520 R N -0.440 120.082 120.500 0.036 0.000 2.175 520 R HA 0.133 4.475 4.340 0.003 0.000 0.202 520 R C -0.067 176.256 176.300 0.038 0.000 1.018 520 R CA 0.550 56.670 56.100 0.034 0.000 1.029 520 R CB 0.285 30.604 30.300 0.031 0.000 0.959 520 R HN 0.436 nan 8.270 nan 0.000 0.480 521 Q N 0.729 120.555 119.800 0.043 0.000 2.371 521 Q HA 0.269 4.611 4.340 0.003 0.000 0.244 521 Q C -2.575 173.455 176.000 0.050 0.000 0.882 521 Q CA -1.624 54.206 55.803 0.045 0.000 0.866 521 Q CB 1.956 30.715 28.738 0.035 0.000 1.399 521 Q HN 0.155 nan 8.270 nan 0.000 0.432 522 P HA 0.267 nan 4.420 nan 0.000 0.269 522 P C -2.570 174.787 177.300 0.095 0.000 1.209 522 P CA -1.061 62.089 63.100 0.082 0.000 0.776 522 P CB -0.247 31.517 31.700 0.107 0.000 0.876 523 P HA 0.107 nan 4.420 nan 0.000 0.268 523 P C 0.328 177.717 177.300 0.148 0.000 1.204 523 P CA 0.286 63.422 63.100 0.059 0.000 0.768 523 P CB 0.687 32.377 31.700 -0.016 0.000 0.842 524 G N 1.803 110.665 108.800 0.104 0.000 2.583 524 G HA2 0.320 4.281 3.960 0.003 0.000 0.280 524 G HA3 0.320 4.281 3.960 0.003 0.000 0.280 524 G C 1.107 176.052 174.900 0.075 0.000 1.376 524 G CA -0.881 44.271 45.100 0.087 0.000 1.043 524 G HN 0.355 nan 8.290 nan 0.000 0.538 525 I N -0.291 120.235 120.570 -0.073 0.000 2.118 525 I HA -0.215 3.956 4.170 0.003 0.000 0.241 525 I C 2.711 178.851 176.117 0.038 0.000 1.070 525 I CA 1.172 62.457 61.300 -0.026 0.000 1.327 525 I CB -0.255 37.704 38.000 -0.069 0.000 1.034 525 I HN 0.287 nan 8.210 nan 0.000 0.405 526 L N 0.265 121.493 121.223 0.009 0.000 2.083 526 L HA -0.203 4.138 4.340 0.003 0.000 0.209 526 L C 2.857 179.754 176.870 0.045 0.000 1.083 526 L CA 1.259 56.129 54.840 0.050 0.000 0.752 526 L CB -0.839 41.217 42.059 -0.006 0.000 0.899 526 L HN 0.272 nan 8.230 nan 0.000 0.433 527 A N 0.381 123.213 122.820 0.020 0.000 1.908 527 A HA -0.174 4.147 4.320 0.003 0.000 0.218 527 A C 2.255 179.842 177.584 0.004 0.000 1.181 527 A CA 1.502 53.549 52.037 0.017 0.000 0.627 527 A CB -0.692 18.313 19.000 0.009 0.000 0.818 527 A HN 0.372 nan 8.150 nan 0.000 0.445 528 L N -1.103 120.107 121.223 -0.022 0.000 2.093 528 L HA -0.140 4.201 4.340 0.003 0.000 0.208 528 L C 2.552 179.414 176.870 -0.013 0.000 1.085 528 L CA 1.082 55.881 54.840 -0.068 0.000 0.755 528 L CB -0.535 41.425 42.059 -0.165 0.000 0.904 528 L HN 0.499 nan 8.230 nan 0.000 0.435 529 L N -0.113 121.132 121.223 0.036 0.000 2.027 529 L HA -0.197 4.144 4.340 0.003 0.000 0.206 529 L C 1.985 178.892 176.870 0.061 0.000 1.074 529 L CA 1.905 56.789 54.840 0.074 0.000 0.745 529 L CB -0.616 41.534 42.059 0.152 0.000 0.898 529 L HN 0.137 nan 8.230 nan 0.000 0.433 530 D N -0.362 120.072 120.400 0.057 0.000 2.178 530 D HA -0.234 4.407 4.640 0.003 0.000 0.201 530 D C 2.063 178.404 176.300 0.067 0.000 0.980 530 D CA 1.434 55.467 54.000 0.054 0.000 0.842 530 D CB 0.008 40.838 40.800 0.050 0.000 0.948 530 D HN 0.655 nan 8.370 nan 0.000 0.472 531 E N 0.276 120.517 120.200 0.069 0.000 2.106 531 E HA -0.216 4.135 4.350 0.003 0.000 0.192 531 E C 1.754 178.479 176.600 0.209 0.000 0.984 531 E CA 0.846 57.315 56.400 0.115 0.000 0.806 531 E CB 0.100 29.845 29.700 0.075 0.000 0.750 531 E HN 0.018 nan 8.360 nan 0.000 0.458 532 Q N 0.112 119.997 119.800 0.143 0.000 2.369 532 Q HA 0.038 4.380 4.340 0.003 0.000 0.206 532 Q C 1.720 177.865 176.000 0.241 0.000 0.963 532 Q CA 1.085 56.999 55.803 0.185 0.000 0.894 532 Q CB 0.216 28.988 28.738 0.058 0.000 0.965 532 Q HN 0.170 nan 8.270 nan 0.000 0.475 533 S N -1.150 114.639 115.700 0.149 0.000 2.555 533 S HA -0.024 4.448 4.470 0.003 0.000 0.230 533 S C 1.304 175.931 174.600 0.045 0.000 0.978 533 S CA 0.518 58.770 58.200 0.087 0.000 0.934 533 S CB 0.215 63.439 63.200 0.039 0.000 0.766 533 S HN 0.152 nan 8.310 nan 0.000 0.533 534 V N 0.401 120.326 119.914 0.017 0.000 3.647 534 V HA 0.237 4.359 4.120 0.003 0.000 0.279 534 V C -0.287 175.504 176.094 -0.505 0.000 1.314 534 V CA 0.456 62.604 62.300 -0.255 0.000 1.125 534 V CB -0.522 31.084 31.823 -0.361 0.000 0.907 534 V HN 0.383 nan 8.190 nan 0.000 0.434 535 F N 1.948 121.898 119.950 0.000 0.000 2.308 535 F HA 0.400 4.929 4.527 0.003 0.000 0.370 535 F C -0.940 174.861 175.800 0.002 0.000 1.100 535 F CA -2.467 55.533 58.000 0.001 0.000 1.108 535 F CB 0.996 39.995 39.000 -0.001 0.000 1.293 535 F HN 0.006 nan 8.300 nan 0.000 0.478 536 P HA -0.208 nan 4.420 nan 0.000 0.217 536 P C 0.696 178.046 177.300 0.083 0.000 1.148 536 P CA 1.513 64.651 63.100 0.065 0.000 0.834 536 P CB 0.344 32.064 31.700 0.034 0.000 0.783 537 N N -0.653 118.115 118.700 0.113 0.000 2.336 537 N HA 0.131 4.873 4.740 0.003 0.000 0.189 537 N C 0.723 176.278 175.510 0.075 0.000 1.113 537 N CA 0.104 53.205 53.050 0.085 0.000 0.858 537 N CB -0.222 38.308 38.487 0.072 0.000 0.970 537 N HN 0.135 nan 8.380 nan 0.000 0.471 538 A N 0.991 123.874 122.820 0.105 0.000 2.483 538 A HA 0.372 4.693 4.320 0.003 0.000 0.238 538 A C 0.970 178.577 177.584 0.039 0.000 1.070 538 A CA 0.025 52.096 52.037 0.057 0.000 0.770 538 A CB 0.121 19.170 19.000 0.082 0.000 1.008 538 A HN 0.296 nan 8.150 nan 0.000 0.497 539 T N -1.426 113.136 114.554 0.014 0.000 2.883 539 T HA 0.458 4.809 4.350 0.003 0.000 0.284 539 T C 0.229 174.932 174.700 0.004 0.000 1.041 539 T CA -0.256 61.852 62.100 0.014 0.000 1.007 539 T CB 0.987 69.859 68.868 0.008 0.000 1.220 539 T HN 0.443 nan 8.240 nan 0.000 0.552 540 D N 0.224 120.627 120.400 0.005 0.000 2.144 540 D HA -0.138 4.504 4.640 0.003 0.000 0.199 540 D C 1.778 178.058 176.300 -0.034 0.000 0.984 540 D CA 1.011 55.004 54.000 -0.012 0.000 0.834 540 D CB -0.299 40.499 40.800 -0.004 0.000 0.955 540 D HN 0.666 nan 8.370 nan 0.000 0.465 541 N N 0.425 119.114 118.700 -0.019 0.000 2.188 541 N HA -0.126 4.616 4.740 0.003 0.000 0.184 541 N C 1.512 177.001 175.510 -0.035 0.000 1.018 541 N CA 1.134 54.173 53.050 -0.018 0.000 0.858 541 N CB 0.155 38.641 38.487 -0.002 0.000 0.989 541 N HN -0.028 nan 8.380 nan 0.000 0.426 542 T N 1.763 116.295 114.554 -0.038 0.000 2.652 542 T HA -0.166 4.185 4.350 0.003 0.000 0.267 542 T C 1.913 176.568 174.700 -0.075 0.000 1.039 542 T CA 1.299 63.364 62.100 -0.057 0.000 1.153 542 T CB -0.303 68.530 68.868 -0.058 0.000 0.863 542 T HN 0.221 nan 8.240 nan 0.000 0.428 543 L N 0.761 121.941 121.223 -0.071 0.000 2.027 543 L HA 0.121 4.463 4.340 0.003 0.000 0.206 543 L C 2.235 179.016 176.870 -0.149 0.000 1.074 543 L CA 1.499 56.283 54.840 -0.092 0.000 0.745 543 L CB -0.651 41.374 42.059 -0.058 0.000 0.898 543 L HN 0.269 nan 8.230 nan 0.000 0.433 544 I N -0.842 119.630 120.570 -0.163 0.000 2.361 544 I HA -0.287 3.885 4.170 0.003 0.000 0.251 544 I C 2.046 177.977 176.117 -0.311 0.000 1.133 544 I CA 1.795 62.934 61.300 -0.269 0.000 1.413 544 I CB -0.242 37.630 38.000 -0.213 0.000 1.073 544 I HN 0.369 nan 8.210 nan 0.000 0.424 545 T N 0.289 114.766 114.554 -0.129 0.000 2.746 545 T HA -0.245 4.107 4.350 0.003 0.000 0.267 545 T C 1.874 176.544 174.700 -0.050 0.000 1.039 545 T CA 1.776 63.856 62.100 -0.034 0.000 1.142 545 T CB -0.212 68.650 68.868 -0.011 0.000 0.866 545 T HN 0.293 nan 8.240 nan 0.000 0.444 546 K N 0.779 121.126 120.400 -0.089 0.000 2.057 546 K HA 0.019 4.340 4.320 0.003 0.000 0.207 546 K C 2.124 178.651 176.600 -0.122 0.000 1.049 546 K CA 1.036 57.276 56.287 -0.077 0.000 0.931 546 K CB -0.347 32.089 32.500 -0.107 0.000 0.714 546 K HN 0.272 nan 8.250 nan 0.000 0.440 547 L N -0.106 120.992 121.223 -0.208 0.000 2.017 547 L HA -0.212 4.130 4.340 0.003 0.000 0.208 547 L C 2.499 179.252 176.870 -0.196 0.000 1.073 547 L CA 1.196 55.902 54.840 -0.224 0.000 0.745 547 L CB -0.786 41.100 42.059 -0.290 0.000 0.894 547 L HN 0.344 nan 8.230 nan 0.000 0.432 548 H N -0.986 118.072 119.070 -0.020 0.000 2.387 548 H HA -0.137 4.421 4.556 0.002 0.000 0.299 548 H C 2.629 177.897 175.328 -0.101 0.000 1.090 548 H CA 1.429 57.497 56.048 0.034 0.000 1.332 548 H CB -0.350 29.474 29.762 0.103 0.000 1.386 548 H HN 0.210 nan 8.280 nan 0.000 0.516 549 S N -0.256 115.449 115.700 0.008 0.000 2.374 549 S HA -0.193 4.279 4.470 0.003 0.000 0.227 549 S C 1.860 176.293 174.600 -0.279 0.000 1.037 549 S CA 1.449 59.588 58.200 -0.102 0.000 1.024 549 S CB -0.090 63.055 63.200 -0.092 0.000 0.861 549 S HN 0.543 nan 8.310 nan 0.000 0.456 550 H N -1.301 117.441 119.070 -0.547 0.000 2.448 550 H HA 0.234 4.791 4.556 0.002 0.000 0.292 550 H C 1.275 176.059 175.328 -0.907 0.000 1.035 550 H CA 1.436 56.968 56.048 -0.859 0.000 1.349 550 H CB -0.000 28.890 29.762 -1.453 0.000 1.425 550 H HN 0.507 nan 8.280 nan 0.000 0.539 551 F N -1.609 118.179 119.950 -0.269 0.000 2.740 551 F HA 0.212 4.741 4.527 0.003 0.000 0.304 551 F C 1.109 176.778 175.800 -0.219 0.000 1.098 551 F CA -0.298 57.451 58.000 -0.418 0.000 1.258 551 F CB 0.397 38.763 39.000 -1.057 0.000 1.061 551 F HN -0.199 nan 8.300 nan 0.000 0.598 552 S N 2.336 118.061 115.700 0.042 0.000 2.506 552 S HA 0.066 4.537 4.470 0.003 0.000 0.291 552 S C 0.800 175.470 174.600 0.117 0.000 1.230 552 S CA 0.065 58.402 58.200 0.229 0.000 1.107 552 S CB -0.287 63.040 63.200 0.212 0.000 0.942 552 S HN 0.379 nan 8.310 nan 0.000 0.502 553 K N 2.482 122.965 120.400 0.139 0.000 3.500 553 K HA -0.170 4.152 4.320 0.003 0.000 0.313 553 K C 0.511 177.149 176.600 0.062 0.000 1.338 553 K CA 1.743 58.077 56.287 0.079 0.000 0.963 553 K CB -1.519 31.003 32.500 0.038 0.000 1.267 553 K HN 0.696 nan 8.250 nan 0.000 0.448 554 K N -0.090 120.357 120.400 0.079 0.000 2.387 554 K HA 0.098 4.419 4.320 0.003 0.000 0.197 554 K C 0.586 177.250 176.600 0.106 0.000 1.127 554 K CA -0.075 56.248 56.287 0.060 0.000 0.950 554 K CB 0.349 32.850 32.500 0.003 0.000 1.017 554 K HN 0.049 nan 8.250 nan 0.000 0.519 555 N N 0.487 119.286 118.700 0.165 0.000 2.399 555 N HA 0.220 4.961 4.740 0.003 0.000 0.280 555 N C -0.013 175.592 175.510 0.157 0.000 1.008 555 N CA -0.044 53.107 53.050 0.169 0.000 0.894 555 N CB 1.924 40.538 38.487 0.213 0.000 1.273 555 N HN 0.057 nan 8.380 nan 0.000 0.486 556 A N 3.678 126.564 122.820 0.110 0.000 2.131 556 A HA -0.090 4.231 4.320 0.003 0.000 0.220 556 A C 1.474 179.115 177.584 0.094 0.000 1.158 556 A CA 1.224 53.316 52.037 0.093 0.000 0.665 556 A CB -0.038 19.001 19.000 0.065 0.000 0.795 556 A HN 0.577 nan 8.150 nan 0.000 0.460 557 K N -1.759 118.701 120.400 0.101 0.000 2.404 557 K HA 0.178 4.500 4.320 0.003 0.000 0.194 557 K C -0.455 176.227 176.600 0.136 0.000 1.023 557 K CA -0.003 56.332 56.287 0.080 0.000 1.094 557 K CB -0.214 32.309 32.500 0.038 0.000 0.841 557 K HN 0.632 nan 8.250 nan 0.000 0.523 558 Y N 0.643 120.970 120.300 0.045 0.000 2.487 558 Y HA 0.359 4.911 4.550 0.003 0.000 0.337 558 Y C -0.915 175.060 175.900 0.124 0.000 1.076 558 Y CA -0.982 57.177 58.100 0.098 0.000 1.115 558 Y CB 1.699 40.217 38.460 0.097 0.000 1.235 558 Y HN -0.062 nan 8.280 nan 0.000 0.468 559 E N 4.093 124.159 120.200 -0.224 0.000 2.278 559 E HA 0.166 4.517 4.350 0.003 0.000 0.272 559 E C -1.823 174.656 176.600 -0.201 0.000 0.890 559 E CA -0.725 55.613 56.400 -0.102 0.000 0.770 559 E CB 1.429 31.092 29.700 -0.062 0.000 1.212 559 E HN 0.759 nan 8.360 nan 0.000 0.415 560 E N 5.717 125.911 120.200 -0.010 0.000 2.200 560 E HA 0.322 4.674 4.350 0.003 0.000 0.283 560 E C -2.144 174.398 176.600 -0.097 0.000 1.015 560 E CA -2.194 54.179 56.400 -0.045 0.000 0.819 560 E CB 0.883 30.474 29.700 -0.181 0.000 1.081 560 E HN 0.254 nan 8.360 nan 0.000 0.397 561 P HA 0.007 nan 4.420 nan 0.000 0.269 561 P C -0.177 177.015 177.300 -0.180 0.000 1.215 561 P CA 0.029 63.079 63.100 -0.082 0.000 0.780 561 P CB 0.580 32.276 31.700 -0.007 0.000 0.898 562 R N 0.816 121.129 120.500 -0.313 0.000 2.115 562 R HA 0.015 4.357 4.340 0.003 0.000 0.226 562 R C 1.091 176.938 176.300 -0.755 0.000 1.100 562 R CA 1.519 57.242 56.100 -0.627 0.000 0.980 562 R CB -0.522 29.215 30.300 -0.938 0.000 0.875 562 R HN 0.417 nan 8.270 nan 0.000 0.445 563 F N -0.345 119.601 119.950 -0.006 0.000 2.640 563 F HA 0.229 4.757 4.527 0.002 0.000 0.285 563 F C 1.106 176.914 175.800 0.012 0.000 1.031 563 F CA -0.624 57.377 58.000 0.001 0.000 1.240 563 F CB -0.062 38.939 39.000 0.001 0.000 1.011 563 F HN -0.189 nan 8.300 nan 0.000 0.656 564 S N 1.261 117.077 115.700 0.193 0.000 2.560 564 S HA 0.087 4.559 4.470 0.003 0.000 0.284 564 S C 0.657 175.329 174.600 0.121 0.000 1.327 564 S CA -0.187 58.096 58.200 0.138 0.000 1.055 564 S CB 0.731 63.996 63.200 0.108 0.000 0.868 564 S HN 0.297 nan 8.310 nan 0.000 0.506 565 K N 1.878 122.349 120.400 0.118 0.000 2.373 565 K HA 0.128 4.449 4.320 0.003 0.000 0.202 565 K C 1.132 177.812 176.600 0.134 0.000 1.025 565 K CA 0.410 56.778 56.287 0.135 0.000 1.115 565 K CB 0.535 33.096 32.500 0.102 0.000 0.858 565 K HN 0.771 nan 8.250 nan 0.000 0.525 566 T N -3.040 111.579 114.554 0.109 0.000 3.058 566 T HA 0.267 4.618 4.350 0.003 0.000 0.278 566 T C 0.178 174.918 174.700 0.066 0.000 0.974 566 T CA -0.471 61.671 62.100 0.070 0.000 0.893 566 T CB 0.321 69.214 68.868 0.041 0.000 1.138 566 T HN -0.101 nan 8.240 nan 0.000 0.529 567 E N 0.705 120.973 120.200 0.112 0.000 2.378 567 E HA 0.727 5.079 4.350 0.003 0.000 0.265 567 E C -1.460 175.273 176.600 0.222 0.000 0.932 567 E CA -1.347 55.103 56.400 0.084 0.000 0.795 567 E CB 2.177 31.892 29.700 0.026 0.000 1.296 567 E HN 0.419 nan 8.360 nan 0.000 0.438 568 F N -2.018 117.950 119.950 0.030 0.000 2.654 568 F HA 0.737 5.265 4.527 0.003 0.000 0.308 568 F C -0.606 175.146 175.800 -0.079 0.000 1.108 568 F CA -0.966 56.994 58.000 -0.066 0.000 0.957 568 F CB 1.171 40.091 39.000 -0.132 0.000 1.309 568 F HN 0.425 nan 8.300 nan 0.000 0.446 569 G N 1.185 109.920 108.800 -0.109 0.000 2.416 569 G HA2 0.619 4.581 3.960 0.003 0.000 0.329 569 G HA3 0.619 4.581 3.960 0.003 0.000 0.329 569 G C -1.985 172.927 174.900 0.020 0.000 1.173 569 G CA -1.147 43.900 45.100 -0.089 0.000 0.929 569 G HN 0.703 nan 8.290 nan 0.000 0.475 570 V N 1.202 121.196 119.914 0.134 0.000 2.448 570 V HA 0.374 4.495 4.120 0.003 0.000 0.295 570 V C 0.219 176.319 176.094 0.010 0.000 1.025 570 V CA -0.681 61.687 62.300 0.113 0.000 0.859 570 V CB 1.828 33.753 31.823 0.171 0.000 0.988 570 V HN 0.753 nan 8.190 nan 0.000 0.431 571 T N 5.297 119.836 114.554 -0.026 0.000 2.776 571 T HA 0.308 4.660 4.350 0.003 0.000 0.292 571 T C 0.011 174.686 174.700 -0.043 0.000 0.921 571 T CA -0.004 62.085 62.100 -0.018 0.000 1.038 571 T CB -0.529 68.336 68.868 -0.005 0.000 0.910 571 T HN 0.552 nan 8.240 nan 0.000 0.536 572 H N 1.413 120.493 119.070 0.018 0.000 2.500 572 H HA 0.116 4.674 4.556 0.002 0.000 0.351 572 H C 0.847 176.128 175.328 -0.079 0.000 1.281 572 H CA -0.652 55.410 56.048 0.023 0.000 1.368 572 H CB 0.877 30.639 29.762 -0.001 0.000 1.616 572 H HN 0.601 nan 8.280 nan 0.000 0.591 573 Y N 1.389 121.670 120.300 -0.031 0.000 2.165 573 Y HA -0.205 4.346 4.550 0.003 0.000 0.286 573 Y C 2.059 177.789 175.900 -0.284 0.000 1.155 573 Y CA 1.911 59.944 58.100 -0.111 0.000 1.164 573 Y CB -0.261 38.189 38.460 -0.017 0.000 0.978 573 Y HN 0.617 nan 8.280 nan 0.000 0.513 574 A N 0.004 122.479 122.820 -0.575 0.000 2.238 574 A HA 0.486 4.808 4.320 0.003 0.000 0.208 574 A C 1.135 178.505 177.584 -0.357 0.000 1.177 574 A CA 0.888 52.589 52.037 -0.560 0.000 0.804 574 A CB -1.198 17.328 19.000 -0.791 0.000 0.823 574 A HN 0.869 nan 8.150 nan 0.000 0.482 575 G N -1.314 107.332 108.800 -0.257 0.000 2.353 575 G HA2 0.055 4.016 3.960 0.003 0.000 0.615 575 G HA3 0.055 4.016 3.960 0.003 0.000 0.615 575 G C -0.580 174.274 174.900 -0.077 0.000 1.280 575 G CA -0.295 44.710 45.100 -0.158 0.000 1.000 575 G HN 0.536 nan 8.290 nan 0.000 0.516 576 Q N -0.695 119.066 119.800 -0.064 0.000 2.314 576 Q HA 0.542 4.883 4.340 0.003 0.000 0.258 576 Q C -0.460 175.504 176.000 -0.059 0.000 0.954 576 Q CA -0.380 55.403 55.803 -0.034 0.000 0.890 576 Q CB 1.075 29.786 28.738 -0.045 0.000 1.210 576 Q HN 0.693 nan 8.270 nan 0.000 0.410 577 V N 5.152 125.045 119.914 -0.034 0.000 2.588 577 V HA 0.376 4.498 4.120 0.003 0.000 0.304 577 V C -0.354 175.526 176.094 -0.356 0.000 1.042 577 V CA -0.834 61.337 62.300 -0.215 0.000 0.877 577 V CB 1.852 33.521 31.823 -0.257 0.000 0.996 577 V HN 0.863 nan 8.190 nan 0.000 0.425 578 M N 4.787 124.146 119.600 -0.401 0.000 2.113 578 M HA 0.513 4.994 4.480 0.003 0.000 0.352 578 M C -1.155 174.858 176.300 -0.479 0.000 1.170 578 M CA -0.260 54.827 55.300 -0.355 0.000 1.053 578 M CB 0.961 33.452 32.600 -0.182 0.000 1.601 578 M HN 0.564 nan 8.290 nan 0.000 0.459 579 Y N 0.877 120.927 120.300 -0.416 0.000 2.409 579 Y HA 0.435 4.986 4.550 0.003 0.000 0.339 579 Y C 0.337 176.046 175.900 -0.319 0.000 1.033 579 Y CA -0.845 57.038 58.100 -0.362 0.000 1.094 579 Y CB 1.379 39.473 38.460 -0.609 0.000 1.210 579 Y HN 0.536 nan 8.280 nan 0.000 0.456 580 E N 1.989 122.247 120.200 0.097 0.000 2.166 580 E HA 0.292 4.643 4.350 0.003 0.000 0.275 580 E C -0.476 176.097 176.600 -0.044 0.000 0.941 580 E CA -0.354 56.074 56.400 0.045 0.000 0.784 580 E CB 1.306 31.076 29.700 0.116 0.000 1.115 580 E HN 0.630 nan 8.360 nan 0.000 0.399 581 I N 2.906 123.317 120.570 -0.266 0.000 3.059 581 I HA 0.029 4.200 4.170 0.003 0.000 0.270 581 I C 0.854 176.781 176.117 -0.317 0.000 1.238 581 I CA 0.464 61.350 61.300 -0.690 0.000 1.478 581 I CB -0.222 37.534 38.000 -0.407 0.000 1.097 581 I HN 0.705 nan 8.210 nan 0.000 0.455 582 Q N 1.291 121.084 119.800 -0.011 0.000 2.308 582 Q HA -0.158 4.184 4.340 0.003 0.000 0.313 582 Q C 0.046 176.201 176.000 0.258 0.000 1.075 582 Q CA 0.965 56.831 55.803 0.105 0.000 0.995 582 Q CB 0.186 28.983 28.738 0.098 0.000 1.107 582 Q HN 0.378 nan 8.270 nan 0.000 0.380 583 D N 2.584 123.096 120.400 0.187 0.000 3.046 583 D HA -0.237 4.404 4.640 0.003 0.000 0.210 583 D C -0.087 176.371 176.300 0.263 0.000 1.124 583 D CA 1.073 55.184 54.000 0.186 0.000 0.986 583 D CB -1.116 39.777 40.800 0.154 0.000 1.118 583 D HN 0.688 nan 8.370 nan 0.000 0.416 584 W N 1.013 122.305 121.300 -0.014 0.000 2.342 584 W HA -0.022 4.639 4.660 0.002 0.000 0.297 584 W C 2.513 178.913 176.519 -0.198 0.000 1.213 584 W CA 0.729 58.005 57.345 -0.116 0.000 1.251 584 W CB -1.079 28.346 29.460 -0.057 0.000 1.136 584 W HN 0.215 nan 8.180 nan 0.000 0.526 585 L N -0.392 120.904 121.223 0.121 0.000 2.042 585 L HA -0.228 4.113 4.340 0.003 0.000 0.210 585 L C 2.369 179.232 176.870 -0.011 0.000 1.076 585 L CA 1.867 56.729 54.840 0.037 0.000 0.749 585 L CB -1.001 41.090 42.059 0.054 0.000 0.893 585 L HN 0.002 nan 8.230 nan 0.000 0.432 586 E N 0.357 120.561 120.200 0.007 0.000 2.072 586 E HA -0.210 4.141 4.350 0.003 0.000 0.191 586 E C 2.212 178.788 176.600 -0.041 0.000 0.985 586 E CA 1.059 57.458 56.400 -0.002 0.000 0.801 586 E CB 0.170 29.884 29.700 0.024 0.000 0.750 586 E HN 0.339 nan 8.360 nan 0.000 0.452 587 K N 0.313 120.661 120.400 -0.087 0.000 2.057 587 K HA -0.161 4.161 4.320 0.003 0.000 0.207 587 K C 2.047 178.502 176.600 -0.242 0.000 1.049 587 K CA 1.322 57.517 56.287 -0.152 0.000 0.931 587 K CB -0.155 32.189 32.500 -0.260 0.000 0.714 587 K HN 0.016 nan 8.250 nan 0.000 0.440 588 N N 1.156 119.640 118.700 -0.360 0.000 2.244 588 N HA -0.123 4.618 4.740 0.003 0.000 0.183 588 N C 1.075 176.529 175.510 -0.093 0.000 1.016 588 N CA 1.400 54.276 53.050 -0.291 0.000 0.866 588 N CB 0.206 38.526 38.487 -0.278 0.000 0.980 588 N HN 0.131 nan 8.380 nan 0.000 0.430 589 K N -0.688 119.677 120.400 -0.060 0.000 2.284 589 K HA 0.038 4.359 4.320 0.003 0.000 0.198 589 K C -0.030 176.569 176.600 -0.002 0.000 1.048 589 K CA 0.404 56.681 56.287 -0.017 0.000 0.987 589 K CB 0.275 32.772 32.500 -0.006 0.000 0.800 589 K HN -0.018 nan 8.250 nan 0.000 0.486 590 D N 1.246 121.643 120.400 -0.004 0.000 2.686 590 D HA -0.094 4.548 4.640 0.003 0.000 0.235 590 D C -2.418 173.893 176.300 0.019 0.000 1.160 590 D CA 0.089 54.097 54.000 0.014 0.000 0.645 590 D CB -0.354 40.461 40.800 0.026 0.000 1.039 590 D HN 0.146 nan 8.370 nan 0.000 0.423 591 P HA 0.316 nan 4.420 nan 0.000 0.271 591 P C -0.568 176.750 177.300 0.030 0.000 1.216 591 P CA -0.483 62.631 63.100 0.022 0.000 0.776 591 P CB 0.994 32.707 31.700 0.021 0.000 0.881 592 L N 2.324 123.568 121.223 0.035 0.000 2.436 592 L HA 0.298 4.639 4.340 0.003 0.000 0.268 592 L C -0.418 176.483 176.870 0.051 0.000 0.974 592 L CA -0.645 54.223 54.840 0.048 0.000 0.826 592 L CB 1.936 44.029 42.059 0.057 0.000 1.291 592 L HN 0.221 nan 8.230 nan 0.000 0.406 593 Q N 2.367 122.199 119.800 0.052 0.000 2.300 593 Q HA -0.018 4.323 4.340 0.003 0.000 0.280 593 Q C 0.573 176.608 176.000 0.059 0.000 1.033 593 Q CA 0.400 56.231 55.803 0.047 0.000 0.903 593 Q CB 1.388 30.152 28.738 0.043 0.000 1.195 593 Q HN 0.737 nan 8.270 nan 0.000 0.386 594 Q N 2.541 122.370 119.800 0.048 0.000 2.135 594 Q HA -0.191 4.150 4.340 0.003 0.000 0.204 594 Q C 0.544 176.575 176.000 0.052 0.000 0.981 594 Q CA 1.842 57.678 55.803 0.053 0.000 0.856 594 Q CB 0.259 29.020 28.738 0.038 0.000 0.902 594 Q HN 0.556 nan 8.270 nan 0.000 0.425 595 D N -0.378 120.045 120.400 0.038 0.000 2.263 595 D HA -0.128 4.514 4.640 0.003 0.000 0.208 595 D C 1.564 177.890 176.300 0.044 0.000 0.971 595 D CA 0.778 54.795 54.000 0.028 0.000 0.867 595 D CB 0.030 40.838 40.800 0.014 0.000 0.929 595 D HN 0.352 nan 8.370 nan 0.000 0.492 596 L N 0.674 121.943 121.223 0.078 0.000 2.095 596 L HA -0.074 4.268 4.340 0.003 0.000 0.204 596 L C 2.352 179.309 176.870 0.145 0.000 1.080 596 L CA 0.812 55.731 54.840 0.132 0.000 0.759 596 L CB -0.212 41.928 42.059 0.135 0.000 0.914 596 L HN -0.075 nan 8.230 nan 0.000 0.439 597 E N 0.401 120.685 120.200 0.140 0.000 2.110 597 E HA -0.203 4.149 4.350 0.003 0.000 0.193 597 E C 2.323 178.966 176.600 0.072 0.000 0.988 597 E CA 1.162 57.675 56.400 0.187 0.000 0.804 597 E CB -0.193 29.634 29.700 0.212 0.000 0.745 597 E HN 0.512 nan 8.360 nan 0.000 0.458 598 L N 0.501 121.749 121.223 0.041 0.000 2.056 598 L HA -0.164 4.177 4.340 0.003 0.000 0.207 598 L C 2.928 179.756 176.870 -0.069 0.000 1.078 598 L CA 0.869 55.708 54.840 -0.003 0.000 0.749 598 L CB -0.574 41.483 42.059 -0.003 0.000 0.901 598 L HN 0.269 nan 8.230 nan 0.000 0.433 599 C N 0.236 119.484 119.300 -0.088 0.000 2.413 599 C HA -0.234 4.228 4.460 0.003 0.000 0.277 599 C C 2.711 177.459 174.990 -0.403 0.000 1.228 599 C CA 0.830 59.717 59.018 -0.219 0.000 1.731 599 C CB -0.917 26.699 27.740 -0.207 0.000 2.042 599 C HN 0.461 nan 8.230 nan 0.000 0.468 600 F N 1.090 120.757 119.950 -0.471 0.000 2.325 600 F HA 0.042 4.571 4.527 0.003 0.000 0.299 600 F C 2.437 177.926 175.800 -0.518 0.000 1.090 600 F CA 1.488 59.037 58.000 -0.751 0.000 1.392 600 F CB -0.433 37.540 39.000 -1.712 0.000 1.053 600 F HN 0.228 nan 8.300 nan 0.000 0.521 601 K N -0.041 120.251 120.400 -0.180 0.000 2.211 601 K HA -0.162 4.159 4.320 0.003 0.000 0.204 601 K C 0.664 177.243 176.600 -0.035 0.000 1.047 601 K CA 1.360 57.634 56.287 -0.020 0.000 0.935 601 K CB -0.155 32.363 32.500 0.030 0.000 0.728 601 K HN 0.161 nan 8.250 nan 0.000 0.452 602 D N 0.342 120.686 120.400 -0.094 0.000 2.325 602 D HA -0.013 4.629 4.640 0.003 0.000 0.225 602 D C 0.170 176.412 176.300 -0.097 0.000 1.096 602 D CA 0.218 54.166 54.000 -0.085 0.000 0.844 602 D CB 0.260 40.999 40.800 -0.102 0.000 0.925 602 D HN -0.035 nan 8.370 nan 0.000 0.513 603 S N 0.180 115.822 115.700 -0.097 0.000 2.572 603 S HA 0.056 4.527 4.470 0.003 0.000 0.279 603 S C 1.630 176.219 174.600 -0.019 0.000 1.341 603 S CA -0.241 57.919 58.200 -0.068 0.000 1.043 603 S CB 0.877 64.070 63.200 -0.011 0.000 0.887 603 S HN 0.205 nan 8.310 nan 0.000 0.516 604 S N 2.213 117.908 115.700 -0.008 0.000 2.461 604 S HA 0.018 4.489 4.470 0.003 0.000 0.228 604 S C 0.551 175.165 174.600 0.023 0.000 1.005 604 S CA 0.065 58.268 58.200 0.006 0.000 0.942 604 S CB -0.304 62.901 63.200 0.008 0.000 0.776 604 S HN 0.837 nan 8.310 nan 0.000 0.514 605 D N 1.293 121.717 120.400 0.041 0.000 2.351 605 D HA 0.170 4.811 4.640 0.003 0.000 0.251 605 D C 0.242 176.557 176.300 0.025 0.000 1.137 605 D CA -0.077 53.951 54.000 0.046 0.000 0.879 605 D CB 0.758 41.608 40.800 0.084 0.000 1.181 605 D HN 0.015 nan 8.370 nan 0.000 0.448 606 N N 2.047 120.751 118.700 0.007 0.000 2.188 606 N HA -0.121 4.620 4.740 0.003 0.000 0.184 606 N C 1.641 177.117 175.510 -0.057 0.000 1.018 606 N CA 0.708 53.754 53.050 -0.006 0.000 0.858 606 N CB 0.244 38.738 38.487 0.012 0.000 0.989 606 N HN 0.242 nan 8.380 nan 0.000 0.426 607 V N -0.578 119.249 119.914 -0.145 0.000 2.446 607 V HA -0.060 4.062 4.120 0.003 0.000 0.244 607 V C 2.150 178.082 176.094 -0.270 0.000 1.039 607 V CA 0.748 62.814 62.300 -0.390 0.000 1.045 607 V CB -0.327 31.088 31.823 -0.680 0.000 0.681 607 V HN 0.065 nan 8.190 nan 0.000 0.459 608 V N -0.024 119.848 119.914 -0.069 0.000 2.282 608 V HA -0.346 3.775 4.120 0.003 0.000 0.249 608 V C 2.634 178.842 176.094 0.191 0.000 1.057 608 V CA 2.853 65.221 62.300 0.115 0.000 1.032 608 V CB -0.975 30.980 31.823 0.221 0.000 0.645 608 V HN 0.583 nan 8.190 nan 0.000 0.447 609 T N -0.849 113.768 114.554 0.106 0.000 2.720 609 T HA -0.220 4.131 4.350 0.003 0.000 0.268 609 T C 2.003 176.779 174.700 0.127 0.000 1.037 609 T CA 1.524 63.697 62.100 0.121 0.000 1.144 609 T CB -0.211 68.692 68.868 0.058 0.000 0.864 609 T HN 0.417 nan 8.240 nan 0.000 0.444 610 K N 0.640 121.062 120.400 0.036 0.000 2.063 610 K HA -0.009 4.313 4.320 0.003 0.000 0.208 610 K C 2.234 178.838 176.600 0.007 0.000 1.048 610 K CA 0.986 57.287 56.287 0.023 0.000 0.928 610 K CB -0.426 32.067 32.500 -0.011 0.000 0.713 610 K HN 0.384 nan 8.250 nan 0.000 0.442 611 L N -0.356 120.836 121.223 -0.051 0.000 2.187 611 L HA -0.176 4.166 4.340 0.003 0.000 0.213 611 L C 1.730 178.383 176.870 -0.361 0.000 1.100 611 L CA 1.333 56.056 54.840 -0.195 0.000 0.765 611 L CB -0.397 41.508 42.059 -0.257 0.000 0.904 611 L HN 0.102 nan 8.230 nan 0.000 0.437 612 F N -1.287 118.655 119.950 -0.013 0.000 2.720 612 F HA 0.103 4.632 4.527 0.003 0.000 0.301 612 F C 1.603 177.412 175.800 0.016 0.000 1.103 612 F CA 0.069 58.073 58.000 0.008 0.000 1.291 612 F CB -0.226 38.796 39.000 0.036 0.000 1.086 612 F HN 0.016 nan 8.300 nan 0.000 0.592 613 N N -1.029 117.760 118.700 0.149 0.000 2.184 613 N HA -0.007 4.734 4.740 0.003 0.000 0.206 613 N C -0.484 175.062 175.510 0.059 0.000 1.151 613 N CA 0.005 53.114 53.050 0.098 0.000 0.878 613 N CB 0.486 39.026 38.487 0.087 0.000 1.014 613 N HN -0.043 nan 8.380 nan 0.000 0.512 614 D N 1.017 121.443 120.400 0.043 0.000 2.427 614 D HA 0.166 4.808 4.640 0.003 0.000 0.226 614 D C -1.646 174.661 176.300 0.012 0.000 1.076 614 D CA -2.623 51.396 54.000 0.032 0.000 0.849 614 D CB 1.454 42.283 40.800 0.049 0.000 1.052 614 D HN -0.080 nan 8.370 nan 0.000 0.515 615 P HA -0.201 nan 4.420 nan 0.000 0.217 615 P C 0.713 178.012 177.300 -0.003 0.000 1.148 615 P CA 1.037 64.140 63.100 0.005 0.000 0.834 615 P CB 0.377 32.081 31.700 0.008 0.000 0.783 616 N N -0.577 118.121 118.700 -0.002 0.000 2.223 616 N HA -0.080 4.662 4.740 0.003 0.000 0.185 616 N C 1.765 177.268 175.510 -0.013 0.000 1.016 616 N CA 1.104 54.149 53.050 -0.008 0.000 0.863 616 N CB -0.577 37.903 38.487 -0.011 0.000 0.983 616 N HN 0.287 nan 8.380 nan 0.000 0.429 617 I N -1.109 119.453 120.570 -0.013 0.000 3.039 617 I HA 0.145 4.316 4.170 0.003 0.000 0.270 617 I C 1.972 178.045 176.117 -0.074 0.000 1.150 617 I CA 0.272 61.554 61.300 -0.030 0.000 1.448 617 I CB -0.063 37.934 38.000 -0.006 0.000 1.197 617 I HN -0.007 nan 8.210 nan 0.000 0.450 618 A N 0.017 122.788 122.820 -0.081 0.000 1.968 618 A HA 0.083 4.404 4.320 0.003 0.000 0.217 618 A C 1.406 178.951 177.584 -0.065 0.000 1.169 618 A CA 0.976 52.944 52.037 -0.116 0.000 0.638 618 A CB -0.234 18.708 19.000 -0.097 0.000 0.812 618 A HN 0.343 nan 8.150 nan 0.000 0.446 619 S N -1.953 113.729 115.700 -0.029 0.000 2.664 619 S HA 0.484 4.956 4.470 0.003 0.000 0.304 619 S C 0.800 175.401 174.600 0.001 0.000 1.099 619 S CA -0.731 57.464 58.200 -0.009 0.000 1.003 619 S CB 1.643 64.844 63.200 0.002 0.000 1.092 619 S HN 0.409 nan 8.310 nan 0.000 0.525 620 R N 0.191 120.699 120.500 0.013 0.000 2.093 620 R HA 0.202 4.543 4.340 0.003 0.000 0.224 620 R C 0.726 177.041 176.300 0.025 0.000 1.101 620 R CA 0.889 57.005 56.100 0.027 0.000 0.979 620 R CB -0.012 30.312 30.300 0.040 0.000 0.877 620 R HN 0.654 nan 8.270 nan 0.000 0.441 628 I N 2.214 122.797 120.570 0.022 0.000 2.433 628 I HA 0.882 5.053 4.170 0.003 0.000 0.292 628 I C 0.343 176.485 176.117 0.041 0.000 1.001 628 I CA -0.761 60.560 61.300 0.034 0.000 1.119 628 I CB 1.415 39.439 38.000 0.040 0.000 1.289 628 I HN 1.649 nan 8.210 nan 0.000 0.438 629 T N 2.047 116.630 114.554 0.049 0.000 2.754 629 T HA 0.406 4.758 4.350 0.003 0.000 0.286 629 T C 1.277 176.030 174.700 0.089 0.000 0.997 629 T CA 0.366 62.498 62.100 0.053 0.000 0.982 629 T CB 1.151 70.048 68.868 0.048 0.000 1.027 629 T HN 0.812 nan 8.240 nan 0.000 0.529 630 V N 1.257 121.228 119.914 0.097 0.000 2.343 630 V HA -0.107 4.015 4.120 0.003 0.000 0.247 630 V C 3.045 179.302 176.094 0.271 0.000 1.051 630 V CA 2.224 64.626 62.300 0.171 0.000 1.036 630 V CB -1.604 30.319 31.823 0.166 0.000 0.654 630 V HN 1.071 nan 8.190 nan 0.000 0.451 631 A N -0.075 122.917 122.820 0.286 0.000 1.902 631 A HA -0.087 4.235 4.320 0.003 0.000 0.217 631 A C 2.411 180.143 177.584 0.247 0.000 1.181 631 A CA 1.992 54.237 52.037 0.346 0.000 0.623 631 A CB -0.703 18.475 19.000 0.297 0.000 0.818 631 A HN 0.557 nan 8.150 nan 0.000 0.443 632 A N -0.799 122.122 122.820 0.168 0.000 1.898 632 A HA -0.195 4.127 4.320 0.003 0.000 0.216 632 A C 2.202 179.858 177.584 0.119 0.000 1.181 632 A CA 1.747 53.856 52.037 0.121 0.000 0.620 632 A CB -0.581 18.469 19.000 0.084 0.000 0.819 632 A HN 0.665 nan 8.150 nan 0.000 0.442 633 Q N -1.744 118.139 119.800 0.139 0.000 2.061 633 Q HA -0.248 4.093 4.340 0.003 0.000 0.204 633 Q C 1.959 178.046 176.000 0.146 0.000 0.984 633 Q CA 2.093 57.975 55.803 0.131 0.000 0.846 633 Q CB -0.354 28.469 28.738 0.143 0.000 0.902 633 Q HN 0.766 nan 8.270 nan 0.000 0.421 634 Y N 1.020 121.387 120.300 0.112 0.000 2.165 634 Y HA -0.273 4.278 4.550 0.002 0.000 0.286 634 Y C 2.388 178.348 175.900 0.100 0.000 1.155 634 Y CA 2.098 60.261 58.100 0.104 0.000 1.164 634 Y CB 0.019 38.535 38.460 0.093 0.000 0.978 634 Y HN 0.056 nan 8.280 nan 0.000 0.513 635 K N 0.384 120.821 120.400 0.062 0.000 2.103 635 K HA -0.289 4.032 4.320 0.003 0.000 0.207 635 K C 2.141 178.694 176.600 -0.078 0.000 1.048 635 K CA 1.972 58.286 56.287 0.044 0.000 0.930 635 K CB -0.222 32.362 32.500 0.139 0.000 0.716 635 K HN 0.514 nan 8.250 nan 0.000 0.444 636 E N 0.217 120.386 120.200 -0.051 0.000 2.072 636 E HA -0.194 4.157 4.350 0.003 0.000 0.190 636 E C 1.927 178.462 176.600 -0.108 0.000 0.982 636 E CA 1.001 57.369 56.400 -0.053 0.000 0.803 636 E CB 0.124 29.820 29.700 -0.005 0.000 0.755 636 E HN 0.399 nan 8.360 nan 0.000 0.453 637 Q N 0.179 119.896 119.800 -0.139 0.000 2.170 637 Q HA -0.166 4.175 4.340 0.003 0.000 0.203 637 Q C 2.280 178.111 176.000 -0.281 0.000 0.976 637 Q CA 1.048 56.782 55.803 -0.115 0.000 0.858 637 Q CB -0.094 28.670 28.738 0.045 0.000 0.907 637 Q HN 0.263 nan 8.270 nan 0.000 0.433 638 L N 0.624 121.533 121.223 -0.522 0.000 2.056 638 L HA -0.054 4.288 4.340 0.003 0.000 0.207 638 L C 2.157 178.809 176.870 -0.362 0.000 1.078 638 L CA 1.932 56.428 54.840 -0.574 0.000 0.749 638 L CB -0.754 40.857 42.059 -0.747 0.000 0.901 638 L HN 0.106 nan 8.230 nan 0.000 0.433 639 A N -1.073 121.596 122.820 -0.251 0.000 1.933 639 A HA -0.175 4.146 4.320 0.003 0.000 0.218 639 A C 2.319 179.811 177.584 -0.154 0.000 1.175 639 A CA 1.935 53.873 52.037 -0.164 0.000 0.628 639 A CB -0.909 18.037 19.000 -0.091 0.000 0.814 639 A HN 0.593 nan 8.150 nan 0.000 0.444 640 S N -0.152 115.462 115.700 -0.142 0.000 2.383 640 S HA -0.113 4.359 4.470 0.003 0.000 0.227 640 S C 1.802 176.297 174.600 -0.175 0.000 1.026 640 S CA 1.242 59.371 58.200 -0.119 0.000 0.981 640 S CB -0.502 62.652 63.200 -0.077 0.000 0.818 640 S HN 0.487 nan 8.310 nan 0.000 0.472 641 L N 1.614 122.694 121.223 -0.238 0.000 2.017 641 L HA 0.029 4.370 4.340 0.003 0.000 0.208 641 L C 2.166 178.813 176.870 -0.373 0.000 1.073 641 L CA 1.770 56.396 54.840 -0.357 0.000 0.745 641 L CB -0.692 41.110 42.059 -0.429 0.000 0.894 641 L HN 0.142 nan 8.230 nan 0.000 0.432 642 M N -0.370 119.031 119.600 -0.332 0.000 2.213 642 M HA -0.113 4.368 4.480 0.003 0.000 0.263 642 M C 2.401 178.556 176.300 -0.241 0.000 1.062 642 M CA 1.641 56.740 55.300 -0.334 0.000 1.105 642 M CB -1.781 30.656 32.600 -0.272 0.000 1.385 642 M HN 0.482 nan 8.290 nan 0.000 0.417 643 A N -0.117 122.604 122.820 -0.166 0.000 1.898 643 A HA -0.127 4.195 4.320 0.003 0.000 0.216 643 A C 2.348 179.893 177.584 -0.064 0.000 1.181 643 A CA 2.207 54.191 52.037 -0.087 0.000 0.620 643 A CB -1.078 17.885 19.000 -0.061 0.000 0.819 643 A HN 0.461 nan 8.150 nan 0.000 0.442 644 T N 0.769 115.265 114.554 -0.098 0.000 2.708 644 T HA -0.102 4.250 4.350 0.003 0.000 0.266 644 T C 1.806 176.516 174.700 0.017 0.000 1.037 644 T CA 1.494 63.586 62.100 -0.014 0.000 1.146 644 T CB -0.464 68.348 68.868 -0.093 0.000 0.865 644 T HN 0.370 nan 8.240 nan 0.000 0.435 645 L N 0.683 121.815 121.223 -0.153 0.000 2.127 645 L HA -0.146 4.195 4.340 0.003 0.000 0.211 645 L C 2.588 179.445 176.870 -0.021 0.000 1.089 645 L CA 1.426 56.165 54.840 -0.168 0.000 0.757 645 L CB -0.640 41.069 42.059 -0.583 0.000 0.899 645 L HN 0.323 nan 8.230 nan 0.000 0.434 646 E N -0.538 119.648 120.200 -0.023 0.000 2.333 646 E HA -0.169 4.183 4.350 0.003 0.000 0.198 646 E C 1.891 178.587 176.600 0.160 0.000 1.007 646 E CA 1.497 57.991 56.400 0.157 0.000 0.845 646 E CB 0.031 29.801 29.700 0.118 0.000 0.766 646 E HN 0.552 nan 8.360 nan 0.000 0.507 647 T N -2.129 112.500 114.554 0.126 0.000 3.107 647 T HA 0.018 4.369 4.350 0.003 0.000 0.249 647 T C 0.891 175.657 174.700 0.110 0.000 1.096 647 T CA 0.237 62.409 62.100 0.120 0.000 1.012 647 T CB -0.062 68.883 68.868 0.127 0.000 0.977 647 T HN 0.070 nan 8.240 nan 0.000 0.527 648 T N 0.231 114.863 114.554 0.132 0.000 2.948 648 T HA 0.507 4.858 4.350 0.003 0.000 0.285 648 T C -0.435 174.307 174.700 0.069 0.000 1.019 648 T CA -0.994 61.154 62.100 0.081 0.000 1.013 648 T CB 1.326 70.260 68.868 0.111 0.000 1.117 648 T HN 0.101 nan 8.240 nan 0.000 0.533 649 N N 2.685 121.391 118.700 0.009 0.000 2.420 649 N HA 0.416 5.157 4.740 0.003 0.000 0.249 649 N C -2.600 172.767 175.510 -0.237 0.000 1.033 649 N CA -2.035 50.978 53.050 -0.062 0.000 0.944 649 N CB 0.769 39.239 38.487 -0.027 0.000 1.113 649 N HN 0.401 nan 8.380 nan 0.000 0.502 650 P HA 0.274 nan 4.420 nan 0.000 0.282 650 P C -1.205 175.540 177.300 -0.925 0.000 1.259 650 P CA -0.146 62.629 63.100 -0.542 0.000 0.826 650 P CB 1.145 32.538 31.700 -0.511 0.000 1.064 651 H N 1.096 119.886 119.070 -0.466 0.000 2.689 651 H HA 0.370 4.927 4.556 0.002 0.000 0.346 651 H C -0.841 174.241 175.328 -0.409 0.000 1.037 651 H CA -0.225 55.669 56.048 -0.257 0.000 1.234 651 H CB 0.868 30.604 29.762 -0.044 0.000 1.572 651 H HN 0.301 nan 8.280 nan 0.000 0.524 652 F N 1.809 121.922 119.950 0.271 0.000 2.411 652 F HA 0.333 4.862 4.527 0.003 0.000 0.352 652 F C 0.275 176.292 175.800 0.363 0.000 1.123 652 F CA -0.847 57.344 58.000 0.318 0.000 1.044 652 F CB 1.579 40.782 39.000 0.338 0.000 1.135 652 F HN 0.116 nan 8.300 nan 0.000 0.461 653 V N 4.596 124.752 119.914 0.403 0.000 2.417 653 V HA 0.541 4.662 4.120 0.003 0.000 0.291 653 V C -0.260 175.968 176.094 0.223 0.000 1.024 653 V CA -0.940 61.539 62.300 0.298 0.000 0.861 653 V CB 1.567 33.503 31.823 0.189 0.000 0.985 653 V HN 0.532 nan 8.190 nan 0.000 0.436 654 R N 2.731 123.314 120.500 0.138 0.000 2.275 654 R HA 0.427 4.768 4.340 0.003 0.000 0.326 654 R C -0.947 175.346 176.300 -0.010 0.000 0.973 654 R CA -0.377 55.720 56.100 -0.006 0.000 0.854 654 R CB 1.210 31.376 30.300 -0.223 0.000 1.156 654 R HN 0.674 nan 8.270 nan 0.000 0.487 655 C N 4.722 124.019 119.300 -0.004 0.000 2.499 655 C HA 0.482 4.943 4.460 0.003 0.000 0.386 655 C C 0.960 175.920 174.990 -0.051 0.000 1.293 655 C CA -0.494 58.508 59.018 -0.026 0.000 1.884 655 C CB -0.615 27.114 27.740 -0.019 0.000 2.509 655 C HN 0.637 nan 8.230 nan 0.000 0.566 656 I N 3.919 124.443 120.570 -0.077 0.000 2.433 656 I HA 0.401 4.573 4.170 0.003 0.000 0.292 656 I C 0.006 176.067 176.117 -0.094 0.000 1.001 656 I CA -0.328 60.923 61.300 -0.082 0.000 1.119 656 I CB 1.187 39.129 38.000 -0.097 0.000 1.289 656 I HN 0.591 nan 8.210 nan 0.000 0.438 657 I N 8.592 129.130 120.570 -0.053 0.000 2.395 657 I HA 0.217 4.389 4.170 0.003 0.000 0.289 657 I C -1.300 174.808 176.117 -0.016 0.000 1.023 657 I CA -1.876 59.417 61.300 -0.012 0.000 1.350 657 I CB 1.820 39.855 38.000 0.058 0.000 1.409 657 I HN 0.451 nan 8.210 nan 0.000 0.507 658 P HA -0.027 nan 4.420 nan 0.000 0.220 658 P C -0.904 176.407 177.300 0.019 0.000 1.152 658 P CA 1.003 64.063 63.100 -0.067 0.000 0.812 658 P CB 0.019 31.651 31.700 -0.113 0.000 0.792 659 N N -2.459 116.298 118.700 0.095 0.000 3.020 659 N HA 0.153 4.894 4.740 0.003 0.000 0.248 659 N C -0.388 175.158 175.510 0.059 0.000 1.480 659 N CA -0.810 52.273 53.050 0.056 0.000 0.874 659 N CB -0.482 38.030 38.487 0.042 0.000 1.433 659 N HN -0.379 nan 8.380 nan 0.000 0.530 660 N N -0.592 118.118 118.700 0.016 0.000 2.295 660 N HA 0.147 4.888 4.740 0.003 0.000 0.221 660 N C -0.404 175.080 175.510 -0.043 0.000 1.129 660 N CA 0.167 53.220 53.050 0.005 0.000 0.836 660 N CB 0.313 38.803 38.487 0.005 0.000 1.040 660 N HN 0.548 nan 8.380 nan 0.000 0.494 661 K N 0.122 120.474 120.400 -0.080 0.000 2.374 661 K HA 0.198 4.519 4.320 0.003 0.000 0.202 661 K C -0.021 176.408 176.600 -0.286 0.000 1.040 661 K CA -0.065 56.140 56.287 -0.137 0.000 1.085 661 K CB 0.679 33.120 32.500 -0.100 0.000 0.873 661 K HN -0.039 nan 8.250 nan 0.000 0.539 662 Q N 0.403 119.899 119.800 -0.506 0.000 2.503 662 Q HA -0.189 4.152 4.340 0.003 0.000 0.267 662 Q C -0.815 174.482 176.000 -1.172 0.000 1.030 662 Q CA 0.516 55.556 55.803 -1.271 0.000 1.041 662 Q CB -1.833 26.439 28.738 -0.777 0.000 1.406 662 Q HN 0.334 nan 8.270 nan 0.000 0.524 663 L N 0.601 121.469 121.223 -0.591 0.000 2.331 663 L HA 0.636 4.977 4.340 0.003 0.000 0.275 663 L C -1.984 174.951 176.870 0.110 0.000 1.022 663 L CA -2.299 52.423 54.840 -0.197 0.000 0.812 663 L CB 0.971 42.985 42.059 -0.075 0.000 1.257 663 L HN -0.175 nan 8.230 nan 0.000 0.435 664 P HA 0.166 nan 4.420 nan 0.000 0.278 664 P C -0.134 177.260 177.300 0.156 0.000 1.266 664 P CA -0.257 62.970 63.100 0.211 0.000 0.807 664 P CB 0.932 32.705 31.700 0.123 0.000 1.094 665 A N -0.281 122.630 122.820 0.152 0.000 2.748 665 A HA -0.207 4.115 4.320 0.003 0.000 0.297 665 A C 0.441 178.132 177.584 0.179 0.000 1.508 665 A CA 1.193 53.307 52.037 0.129 0.000 0.799 665 A CB -2.344 16.681 19.000 0.041 0.000 1.011 665 A HN 0.526 nan 8.150 nan 0.000 0.500 666 K N -0.465 120.084 120.400 0.249 0.000 2.992 666 K HA 0.311 4.633 4.320 0.003 0.000 0.178 666 K C -0.872 175.806 176.600 0.130 0.000 1.122 666 K CA -0.605 55.775 56.287 0.155 0.000 0.926 666 K CB 0.381 32.938 32.500 0.096 0.000 1.121 666 K HN 0.402 nan 8.250 nan 0.000 0.610 667 L N 3.176 124.469 121.223 0.117 0.000 2.433 667 L HA 0.133 4.474 4.340 0.003 0.000 0.284 667 L C -0.117 176.819 176.870 0.110 0.000 1.120 667 L CA 0.544 55.386 54.840 0.003 0.000 0.879 667 L CB 0.163 42.179 42.059 -0.072 0.000 1.232 667 L HN 0.243 nan 8.230 nan 0.000 0.454 668 E N 3.071 123.311 120.200 0.067 0.000 2.130 668 E HA 0.050 4.401 4.350 0.003 0.000 0.284 668 E C 0.425 177.007 176.600 -0.030 0.000 1.018 668 E CA -0.189 56.234 56.400 0.038 0.000 0.817 668 E CB 0.970 30.669 29.700 -0.003 0.000 1.078 668 E HN 0.677 nan 8.360 nan 0.000 0.396 669 D N 4.427 124.743 120.400 -0.140 0.000 2.177 669 D HA -0.352 4.290 4.640 0.003 0.000 0.189 669 D C 1.845 177.864 176.300 -0.467 0.000 1.002 669 D CA 2.499 56.122 54.000 -0.628 0.000 0.845 669 D CB -0.458 39.939 40.800 -0.671 0.000 0.960 669 D HN 0.421 nan 8.370 nan 0.000 0.447 670 K N 0.887 121.128 120.400 -0.265 0.000 2.057 670 K HA 0.015 4.336 4.320 0.003 0.000 0.207 670 K C 2.638 179.150 176.600 -0.146 0.000 1.049 670 K CA 1.597 57.768 56.287 -0.192 0.000 0.931 670 K CB -1.307 31.110 32.500 -0.137 0.000 0.714 670 K HN 0.214 nan 8.250 nan 0.000 0.440 671 V N 0.928 120.776 119.914 -0.110 0.000 2.282 671 V HA -0.263 3.858 4.120 0.003 0.000 0.249 671 V C 2.490 178.542 176.094 -0.070 0.000 1.057 671 V CA 2.023 64.282 62.300 -0.069 0.000 1.032 671 V CB -0.319 31.482 31.823 -0.037 0.000 0.645 671 V HN 0.426 nan 8.190 nan 0.000 0.447 672 V N -0.746 119.118 119.914 -0.083 0.000 2.283 672 V HA -0.190 3.932 4.120 0.003 0.000 0.243 672 V C 2.263 178.316 176.094 -0.067 0.000 1.039 672 V CA 1.792 64.067 62.300 -0.043 0.000 1.016 672 V CB -0.404 31.471 31.823 0.087 0.000 0.650 672 V HN 0.411 nan 8.190 nan 0.000 0.449 673 L N -0.282 120.855 121.223 -0.145 0.000 2.046 673 L HA -0.202 4.139 4.340 0.003 0.000 0.208 673 L C 2.432 179.245 176.870 -0.095 0.000 1.077 673 L CA 1.628 56.388 54.840 -0.133 0.000 0.747 673 L CB -0.647 41.285 42.059 -0.210 0.000 0.896 673 L HN 0.372 nan 8.230 nan 0.000 0.432 674 D N -0.442 119.899 120.400 -0.098 0.000 2.149 674 D HA -0.214 4.427 4.640 0.003 0.000 0.198 674 D C 2.241 178.501 176.300 -0.066 0.000 0.990 674 D CA 1.256 55.207 54.000 -0.081 0.000 0.839 674 D CB -0.002 40.753 40.800 -0.076 0.000 0.948 674 D HN 0.446 nan 8.370 nan 0.000 0.460 675 Q N 0.004 119.769 119.800 -0.057 0.000 2.046 675 Q HA -0.052 4.290 4.340 0.003 0.000 0.200 675 Q C 2.553 178.521 176.000 -0.053 0.000 0.975 675 Q CA 0.695 56.471 55.803 -0.045 0.000 0.836 675 Q CB -0.060 28.652 28.738 -0.043 0.000 0.896 675 Q HN 0.304 nan 8.270 nan 0.000 0.428 676 L N 0.111 121.298 121.223 -0.060 0.000 2.191 676 L HA -0.187 4.155 4.340 0.003 0.000 0.212 676 L C 2.377 179.215 176.870 -0.055 0.000 1.103 676 L CA 1.043 55.841 54.840 -0.070 0.000 0.769 676 L CB -0.321 41.709 42.059 -0.048 0.000 0.908 676 L HN 0.173 nan 8.230 nan 0.000 0.438 677 R N -1.064 119.406 120.500 -0.051 0.000 2.093 677 R HA -0.069 4.273 4.340 0.003 0.000 0.224 677 R C 2.361 178.638 176.300 -0.039 0.000 1.101 677 R CA 1.356 57.423 56.100 -0.055 0.000 0.979 677 R CB -0.306 29.946 30.300 -0.080 0.000 0.877 677 R HN 0.374 nan 8.270 nan 0.000 0.441 678 C N 1.340 120.627 119.300 -0.022 0.000 2.464 678 C HA 0.008 4.469 4.460 0.003 0.000 0.278 678 C C 1.720 176.831 174.990 0.201 0.000 1.375 678 C CA 0.438 59.479 59.018 0.038 0.000 1.761 678 C CB -0.869 26.881 27.740 0.016 0.000 1.944 678 C HN 0.607 nan 8.230 nan 0.000 0.509 679 N N 0.324 119.078 118.700 0.090 0.000 2.322 679 N HA 0.216 4.958 4.740 0.003 0.000 0.194 679 N C 1.105 176.573 175.510 -0.071 0.000 1.126 679 N CA 0.911 53.977 53.050 0.027 0.000 0.845 679 N CB -0.305 38.121 38.487 -0.101 0.000 0.976 679 N HN 0.488 nan 8.380 nan 0.000 0.475 680 G N -0.687 108.168 108.800 0.092 0.000 2.199 680 G HA2 -0.337 3.625 3.960 0.003 0.000 0.254 680 G HA3 -0.337 3.625 3.960 0.003 0.000 0.254 680 G C 0.831 175.710 174.900 -0.036 0.000 0.982 680 G CA 0.364 45.518 45.100 0.090 0.000 0.632 680 G HN 0.240 nan 8.290 nan 0.000 0.529 681 V N 1.089 120.854 119.914 -0.249 0.000 2.295 681 V HA -0.137 3.985 4.120 0.003 0.000 0.246 681 V C 2.899 179.010 176.094 0.029 0.000 1.049 681 V CA 2.380 64.552 62.300 -0.213 0.000 1.024 681 V CB -0.545 31.103 31.823 -0.292 0.000 0.648 681 V HN 0.472 nan 8.190 nan 0.000 0.447 682 L N -0.142 121.090 121.223 0.016 0.000 2.083 682 L HA -0.199 4.143 4.340 0.003 0.000 0.209 682 L C 2.616 179.540 176.870 0.090 0.000 1.083 682 L CA 1.941 56.809 54.840 0.047 0.000 0.752 682 L CB -0.512 41.556 42.059 0.014 0.000 0.899 682 L HN 0.489 nan 8.230 nan 0.000 0.433 683 E N 0.313 120.587 120.200 0.123 0.000 2.072 683 E HA -0.171 4.181 4.350 0.003 0.000 0.191 683 E C 2.173 178.890 176.600 0.195 0.000 0.985 683 E CA 1.108 57.602 56.400 0.158 0.000 0.801 683 E CB -0.133 29.697 29.700 0.218 0.000 0.750 683 E HN 0.423 nan 8.360 nan 0.000 0.452 684 G N 1.155 110.110 108.800 0.258 0.000 2.422 684 G HA2 -0.233 3.729 3.960 0.003 0.000 0.218 684 G HA3 -0.233 3.729 3.960 0.003 0.000 0.218 684 G C 1.565 176.591 174.900 0.210 0.000 1.146 684 G CA 0.820 46.097 45.100 0.294 0.000 0.769 684 G HN 0.253 nan 8.290 nan 0.000 0.547 685 I N -0.105 120.572 120.570 0.180 0.000 2.252 685 I HA -0.101 4.071 4.170 0.003 0.000 0.245 685 I C 2.991 179.173 176.117 0.109 0.000 1.102 685 I CA 0.786 62.166 61.300 0.135 0.000 1.385 685 I CB -0.137 37.929 38.000 0.109 0.000 1.064 685 I HN 0.053 nan 8.210 nan 0.000 0.414 686 R N 0.482 121.044 120.500 0.103 0.000 2.094 686 R HA -0.200 4.142 4.340 0.003 0.000 0.239 686 R C 2.343 178.696 176.300 0.088 0.000 1.137 686 R CA 1.815 57.966 56.100 0.085 0.000 0.943 686 R CB -0.508 29.840 30.300 0.081 0.000 0.850 686 R HN 0.321 nan 8.270 nan 0.000 0.433 687 I N -0.081 120.553 120.570 0.107 0.000 2.127 687 I HA -0.309 3.863 4.170 0.003 0.000 0.241 687 I C 2.240 178.411 176.117 0.089 0.000 1.075 687 I CA 1.589 62.948 61.300 0.099 0.000 1.334 687 I CB -0.388 37.684 38.000 0.120 0.000 1.040 687 I HN 0.226 nan 8.210 nan 0.000 0.405 688 T N 0.035 114.651 114.554 0.105 0.000 2.746 688 T HA -0.240 4.111 4.350 0.003 0.000 0.267 688 T C 1.972 176.730 174.700 0.096 0.000 1.039 688 T CA 1.444 63.610 62.100 0.109 0.000 1.142 688 T CB -0.333 68.607 68.868 0.119 0.000 0.866 688 T HN 0.312 nan 8.240 nan 0.000 0.444 689 R N 1.072 121.620 120.500 0.080 0.000 2.152 689 R HA -0.044 4.298 4.340 0.003 0.000 0.232 689 R C 2.268 178.591 176.300 0.038 0.000 1.117 689 R CA 1.272 57.407 56.100 0.059 0.000 0.981 689 R CB -0.066 30.270 30.300 0.061 0.000 0.870 689 R HN 0.281 nan 8.270 nan 0.000 0.451 690 K N -0.596 119.831 120.400 0.044 0.000 2.097 690 K HA -0.059 4.263 4.320 0.003 0.000 0.205 690 K C 1.496 178.095 176.600 -0.001 0.000 1.050 690 K CA 1.343 57.645 56.287 0.025 0.000 0.938 690 K CB -0.042 32.482 32.500 0.040 0.000 0.718 690 K HN 0.365 nan 8.250 nan 0.000 0.442 691 G N -0.005 108.824 108.800 0.048 0.000 3.199 691 G HA2 0.102 4.063 3.960 0.003 0.000 0.184 691 G HA3 0.102 4.063 3.960 0.003 0.000 0.184 691 G C -0.292 174.546 174.900 -0.103 0.000 1.974 691 G CA -0.241 44.919 45.100 0.101 0.000 0.885 691 G HN 0.130 nan 8.290 nan 0.000 0.575 692 F N 1.523 121.637 119.950 0.273 0.000 2.660 692 F HA 0.359 4.887 4.527 0.003 0.000 0.352 692 F C -1.622 174.232 175.800 0.090 0.000 1.257 692 F CA -1.562 56.567 58.000 0.216 0.000 1.200 692 F CB 2.423 41.625 39.000 0.337 0.000 1.473 692 F HN 0.127 nan 8.300 nan 0.000 0.561 693 P HA -0.154 nan 4.420 nan 0.000 0.216 693 P C -0.606 176.705 177.300 0.019 0.000 1.150 693 P CA 1.369 64.519 63.100 0.083 0.000 0.843 693 P CB 0.098 31.834 31.700 0.061 0.000 0.787 694 N N 0.177 118.901 118.700 0.039 0.000 2.419 694 N HA 0.385 5.126 4.740 0.003 0.000 0.277 694 N C -0.417 174.996 175.510 -0.163 0.000 1.006 694 N CA -0.617 52.441 53.050 0.014 0.000 0.923 694 N CB 0.858 39.419 38.487 0.123 0.000 1.140 694 N HN -0.072 nan 8.380 nan 0.000 0.488 695 R N 2.436 122.746 120.500 -0.317 0.000 2.607 695 R HA 0.376 4.717 4.340 0.003 0.000 0.278 695 R C -0.988 175.150 176.300 -0.271 0.000 1.637 695 R CA -0.453 55.278 56.100 -0.615 0.000 1.325 695 R CB 0.571 30.203 30.300 -1.113 0.000 1.211 695 R HN 0.458 nan 8.270 nan 0.000 0.565 696 I N 2.575 123.057 120.570 -0.146 0.000 2.396 696 I HA 0.206 4.378 4.170 0.003 0.000 0.292 696 I C 0.465 176.500 176.117 -0.136 0.000 0.999 696 I CA -0.988 60.291 61.300 -0.035 0.000 1.310 696 I CB 0.948 39.041 38.000 0.154 0.000 1.404 696 I HN 0.267 nan 8.210 nan 0.000 0.496 697 I N 6.711 127.251 120.570 -0.049 0.000 2.587 697 I HA -0.065 4.106 4.170 0.003 0.000 0.284 697 I C 1.074 177.212 176.117 0.035 0.000 1.134 697 I CA 0.409 61.679 61.300 -0.050 0.000 1.410 697 I CB -0.370 37.652 38.000 0.036 0.000 1.392 697 I HN 0.588 nan 8.210 nan 0.000 0.545 698 Y N 5.644 126.008 120.300 0.107 0.000 2.038 698 Y HA -0.405 4.146 4.550 0.002 0.000 0.266 698 Y C 2.397 178.419 175.900 0.203 0.000 1.220 698 Y CA 2.153 60.340 58.100 0.145 0.000 1.107 698 Y CB -0.440 38.099 38.460 0.131 0.000 0.932 698 Y HN 0.712 nan 8.280 nan 0.000 0.500 699 A N 0.274 123.282 122.820 0.313 0.000 1.892 699 A HA -0.256 4.065 4.320 0.003 0.000 0.218 699 A C 1.892 179.592 177.584 0.195 0.000 1.188 699 A CA 2.203 54.370 52.037 0.215 0.000 0.631 699 A CB -0.806 18.281 19.000 0.146 0.000 0.822 699 A HN 0.501 nan 8.150 nan 0.000 0.447 700 D N -1.021 119.490 120.400 0.185 0.000 2.104 700 D HA -0.164 4.478 4.640 0.003 0.000 0.194 700 D C 1.651 178.085 176.300 0.222 0.000 0.994 700 D CA 1.389 55.485 54.000 0.160 0.000 0.830 700 D CB -0.631 40.249 40.800 0.134 0.000 0.959 700 D HN 0.440 nan 8.370 nan 0.000 0.452 701 F N 2.044 122.098 119.950 0.173 0.000 2.087 701 F HA -0.279 4.249 4.527 0.002 0.000 0.299 701 F C 2.272 178.228 175.800 0.260 0.000 1.100 701 F CA 1.184 59.353 58.000 0.282 0.000 1.226 701 F CB -0.429 38.759 39.000 0.313 0.000 0.983 701 F HN -0.205 nan 8.300 nan 0.000 0.479 702 V N 1.504 121.588 119.914 0.283 0.000 2.343 702 V HA -0.340 3.781 4.120 0.003 0.000 0.247 702 V C 2.572 178.721 176.094 0.093 0.000 1.051 702 V CA 2.208 64.606 62.300 0.163 0.000 1.036 702 V CB -1.038 30.913 31.823 0.213 0.000 0.654 702 V HN 0.404 nan 8.190 nan 0.000 0.451 703 K N 1.033 121.467 120.400 0.057 0.000 2.059 703 K HA -0.302 4.019 4.320 0.003 0.000 0.212 703 K C 2.306 178.920 176.600 0.024 0.000 1.050 703 K CA 2.548 58.846 56.287 0.019 0.000 0.927 703 K CB -0.220 32.280 32.500 0.001 0.000 0.714 703 K HN 0.416 nan 8.250 nan 0.000 0.447 704 R N -1.109 119.263 120.500 -0.212 0.000 2.112 704 R HA -0.029 4.313 4.340 0.003 0.000 0.216 704 R C 1.548 177.371 176.300 -0.796 0.000 1.080 704 R CA 0.913 56.700 56.100 -0.522 0.000 0.996 704 R CB 0.006 29.771 30.300 -0.892 0.000 0.902 704 R HN 0.246 nan 8.270 nan 0.000 0.449 705 Y N -0.477 119.583 120.300 -0.400 0.000 2.457 705 Y HA 0.039 4.590 4.550 0.002 0.000 0.263 705 Y C 1.399 176.987 175.900 -0.519 0.000 1.164 705 Y CA -0.409 57.312 58.100 -0.631 0.000 1.274 705 Y CB -0.450 37.461 38.460 -0.914 0.000 1.097 705 Y HN 0.183 nan 8.280 nan 0.000 0.523 706 Y N -0.018 120.146 120.300 -0.227 0.000 2.181 706 Y HA -0.313 4.239 4.550 0.004 0.000 0.284 706 Y C 2.269 178.071 175.900 -0.164 0.000 1.179 706 Y CA 1.333 59.347 58.100 -0.142 0.000 1.179 706 Y CB -1.347 37.055 38.460 -0.097 0.000 0.973 706 Y HN 0.015 nan 8.280 nan 0.000 0.519 707 L N -0.711 119.593 121.223 -1.533 0.000 2.131 707 L HA -0.093 4.249 4.340 0.003 0.000 0.210 707 L C 2.231 178.769 176.870 -0.554 0.000 1.092 707 L CA 1.625 55.835 54.840 -1.050 0.000 0.759 707 L CB -2.104 39.363 42.059 -0.987 0.000 0.903 707 L HN 0.598 nan 8.230 nan 0.000 0.435 708 L N 0.272 121.194 121.223 -0.502 0.000 2.362 708 L HA 0.217 4.558 4.340 0.003 0.000 0.219 708 L C 1.504 178.184 176.870 -0.316 0.000 1.134 708 L CA 0.824 55.465 54.840 -0.331 0.000 0.807 708 L CB -0.625 41.279 42.059 -0.259 0.000 0.927 708 L HN 0.553 nan 8.230 nan 0.000 0.447 709 A N -0.120 122.478 122.820 -0.369 0.000 2.330 709 A HA 0.596 4.917 4.320 0.003 0.000 0.313 709 A C -2.435 174.883 177.584 -0.443 0.000 1.124 709 A CA -1.376 50.306 52.037 -0.592 0.000 0.774 709 A CB 0.683 19.548 19.000 -0.226 0.000 1.198 709 A HN -0.195 nan 8.150 nan 0.000 0.465 710 P HA 0.206 nan 4.420 nan 0.000 0.256 710 P C -0.109 177.131 177.300 -0.101 0.000 1.688 710 P CA 0.506 63.474 63.100 -0.220 0.000 1.162 710 P CB 0.158 31.784 31.700 -0.122 0.000 1.870 711 N N -0.120 118.545 118.700 -0.057 0.000 2.595 711 N HA -0.005 4.736 4.740 0.003 0.000 0.345 711 N C -0.560 174.970 175.510 0.033 0.000 0.571 711 N CA 0.155 53.209 53.050 0.005 0.000 1.467 711 N CB 0.513 39.013 38.487 0.023 0.000 1.701 711 N HN -0.088 nan 8.380 nan 0.000 1.779 712 V N 2.333 122.279 119.914 0.053 0.000 2.811 712 V HA 0.513 4.634 4.120 0.003 0.000 0.302 712 V C -1.724 174.469 176.094 0.165 0.000 1.063 712 V CA -0.396 61.964 62.300 0.100 0.000 1.088 712 V CB 0.588 32.487 31.823 0.127 0.000 0.982 712 V HN 0.328 nan 8.190 nan 0.000 0.485 713 P HA 0.538 nan 4.420 nan 0.000 0.305 713 P C 0.530 177.715 177.300 -0.192 0.000 1.378 713 P CA 0.069 63.134 63.100 -0.059 0.000 0.926 713 P CB 1.616 33.278 31.700 -0.063 0.000 1.051 714 R N 1.446 121.549 120.500 -0.661 0.000 2.134 714 R HA -0.070 4.272 4.340 0.003 0.000 0.248 714 R C 1.067 177.222 176.300 -0.242 0.000 1.143 714 R CA 2.799 58.505 56.100 -0.657 0.000 0.957 714 R CB -1.832 27.865 30.300 -1.006 0.000 0.867 714 R HN 0.816 nan 8.270 nan 0.000 0.441 715 D N -0.522 119.759 120.400 -0.199 0.000 2.317 715 D HA 0.711 5.352 4.640 0.003 0.000 0.234 715 D C -0.063 176.206 176.300 -0.052 0.000 1.112 715 D CA 0.161 54.103 54.000 -0.098 0.000 0.840 715 D CB 0.881 41.625 40.800 -0.093 0.000 1.078 715 D HN 1.173 nan 8.370 nan 0.000 0.486 716 A N 1.717 124.528 122.820 -0.015 0.000 2.609 716 A HA 0.667 4.988 4.320 0.003 0.000 0.291 716 A C 0.393 177.986 177.584 0.015 0.000 1.096 716 A CA -0.445 51.593 52.037 0.003 0.000 0.684 716 A CB 1.283 20.294 19.000 0.020 0.000 1.282 716 A HN 0.479 nan 8.150 nan 0.000 0.412 717 E N -0.050 120.156 120.200 0.010 0.000 2.127 717 E HA 0.000 4.352 4.350 0.003 0.000 0.191 717 E C -0.255 176.351 176.600 0.011 0.000 0.964 717 E CA 0.453 56.859 56.400 0.011 0.000 0.832 717 E CB 0.251 29.952 29.700 0.002 0.000 0.790 717 E HN 0.579 nan 8.360 nan 0.000 0.465 718 D N 0.680 121.080 120.400 0.001 0.000 2.934 718 D HA 0.125 4.767 4.640 0.003 0.000 0.237 718 D C 0.346 176.643 176.300 -0.005 0.000 1.158 718 D CA 0.024 54.013 54.000 -0.018 0.000 0.971 718 D CB -0.093 40.691 40.800 -0.027 0.000 1.123 718 D HN -0.114 nan 8.370 nan 0.000 0.467 719 S N 0.301 116.017 115.700 0.026 0.000 2.407 719 S HA -0.248 4.224 4.470 0.003 0.000 0.235 719 S C 1.792 176.420 174.600 0.048 0.000 1.036 719 S CA 1.071 59.326 58.200 0.092 0.000 1.013 719 S CB 0.046 63.352 63.200 0.177 0.000 0.820 719 S HN 0.564 nan 8.310 nan 0.000 0.476 720 Q N 0.473 120.157 119.800 -0.193 0.000 2.046 720 Q HA -0.070 4.271 4.340 0.003 0.000 0.200 720 Q C 2.337 178.276 176.000 -0.102 0.000 0.975 720 Q CA 1.107 56.675 55.803 -0.393 0.000 0.836 720 Q CB -0.117 28.249 28.738 -0.621 0.000 0.896 720 Q HN 0.430 nan 8.270 nan 0.000 0.428 721 K N -0.058 120.283 120.400 -0.098 0.000 2.063 721 K HA -0.173 4.148 4.320 0.003 0.000 0.208 721 K C 1.964 178.591 176.600 0.045 0.000 1.048 721 K CA 1.086 57.344 56.287 -0.048 0.000 0.928 721 K CB -0.093 32.380 32.500 -0.045 0.000 0.713 721 K HN 0.164 nan 8.250 nan 0.000 0.442 722 A N 0.527 123.398 122.820 0.084 0.000 1.845 722 A HA -0.173 4.149 4.320 0.003 0.000 0.215 722 A C 2.210 179.946 177.584 0.253 0.000 1.195 722 A CA 2.291 54.418 52.037 0.151 0.000 0.616 722 A CB -1.213 17.885 19.000 0.163 0.000 0.832 722 A HN 0.356 nan 8.150 nan 0.000 0.443 723 T N -0.039 114.718 114.554 0.339 0.000 2.597 723 T HA -0.242 4.109 4.350 0.003 0.000 0.267 723 T C 1.723 176.666 174.700 0.406 0.000 1.053 723 T CA 2.050 64.440 62.100 0.484 0.000 1.165 723 T CB -0.604 68.529 68.868 0.443 0.000 0.863 723 T HN 0.635 nan 8.240 nan 0.000 0.427 724 D N 0.948 121.589 120.400 0.401 0.000 2.133 724 D HA -0.118 4.523 4.640 0.003 0.000 0.195 724 D C 2.194 178.630 176.300 0.226 0.000 0.997 724 D CA 1.426 55.627 54.000 0.336 0.000 0.840 724 D CB -0.457 40.394 40.800 0.085 0.000 0.947 724 D HN 0.390 nan 8.370 nan 0.000 0.452 725 A N -0.210 122.727 122.820 0.195 0.000 1.892 725 A HA -0.172 4.150 4.320 0.003 0.000 0.218 725 A C 2.623 180.328 177.584 0.202 0.000 1.188 725 A CA 1.944 54.082 52.037 0.168 0.000 0.631 725 A CB -0.955 18.129 19.000 0.139 0.000 0.822 725 A HN 0.225 nan 8.150 nan 0.000 0.447 726 V N -0.371 119.687 119.914 0.240 0.000 2.307 726 V HA -0.192 3.929 4.120 0.003 0.000 0.245 726 V C 2.502 178.736 176.094 0.235 0.000 1.045 726 V CA 1.709 64.151 62.300 0.238 0.000 1.024 726 V CB -0.705 31.287 31.823 0.281 0.000 0.651 726 V HN 0.481 nan 8.190 nan 0.000 0.449 727 L N -0.121 121.234 121.223 0.220 0.000 2.013 727 L HA -0.219 4.123 4.340 0.003 0.000 0.212 727 L C 2.360 179.307 176.870 0.129 0.000 1.073 727 L CA 1.976 56.869 54.840 0.088 0.000 0.753 727 L CB -1.144 40.865 42.059 -0.083 0.000 0.890 727 L HN 0.290 nan 8.230 nan 0.000 0.432 728 K N -1.842 118.657 120.400 0.165 0.000 2.025 728 K HA -0.202 4.120 4.320 0.003 0.000 0.207 728 K C 2.177 178.840 176.600 0.105 0.000 1.049 728 K CA 1.240 57.614 56.287 0.144 0.000 0.933 728 K CB -0.243 32.339 32.500 0.136 0.000 0.714 728 K HN 0.315 nan 8.250 nan 0.000 0.438 729 H N 0.435 119.551 119.070 0.077 0.000 2.289 729 H HA -0.107 4.450 4.556 0.002 0.000 0.296 729 H C 1.444 176.802 175.328 0.050 0.000 1.091 729 H CA 2.111 58.191 56.048 0.054 0.000 1.274 729 H CB -0.108 29.678 29.762 0.040 0.000 1.364 729 H HN 0.069 nan 8.280 nan 0.000 0.490 730 L N -0.072 121.220 121.223 0.115 0.000 2.465 730 L HA -0.064 4.277 4.340 0.003 0.000 0.224 730 L C 0.733 177.627 176.870 0.040 0.000 1.145 730 L CA 0.735 55.620 54.840 0.075 0.000 0.834 730 L CB -0.538 41.581 42.059 0.100 0.000 0.944 730 L HN 0.498 nan 8.230 nan 0.000 0.451 731 N N 1.272 119.998 118.700 0.044 0.000 2.648 731 N HA -0.183 4.558 4.740 0.003 0.000 0.265 731 N C -0.593 174.986 175.510 0.115 0.000 1.100 731 N CA -0.189 52.900 53.050 0.066 0.000 0.715 731 N CB -0.480 38.019 38.487 0.021 0.000 0.881 731 N HN 0.229 nan 8.380 nan 0.000 0.548 732 I N 0.834 121.510 120.570 0.175 0.000 2.437 732 I HA 0.135 4.307 4.170 0.003 0.000 0.298 732 I C 0.609 176.968 176.117 0.404 0.000 0.984 732 I CA -0.691 60.763 61.300 0.257 0.000 1.214 732 I CB 1.092 39.225 38.000 0.222 0.000 1.365 732 I HN 0.180 nan 8.210 nan 0.000 0.469 733 D N 8.093 128.687 120.400 0.324 0.000 2.472 733 D HA 0.021 4.662 4.640 0.003 0.000 0.248 733 D C -1.598 174.809 176.300 0.178 0.000 1.174 733 D CA -1.549 52.587 54.000 0.227 0.000 0.883 733 D CB 0.985 41.878 40.800 0.154 0.000 1.149 733 D HN 0.209 nan 8.370 nan 0.000 0.488 734 P HA -0.085 nan 4.420 nan 0.000 0.231 734 P C 0.454 177.518 177.300 -0.394 0.000 1.158 734 P CA 0.846 63.679 63.100 -0.445 0.000 0.763 734 P CB 0.266 31.864 31.700 -0.170 0.000 0.805 735 E N -0.825 119.301 120.200 -0.124 0.000 2.400 735 E HA -0.033 4.319 4.350 0.003 0.000 0.195 735 E C 1.681 178.328 176.600 0.078 0.000 1.012 735 E CA 0.211 56.605 56.400 -0.010 0.000 0.875 735 E CB -0.083 29.637 29.700 0.032 0.000 0.859 735 E HN 0.157 nan 8.360 nan 0.000 0.498 736 Q N -0.450 119.421 119.800 0.118 0.000 2.451 736 Q HA 0.004 4.345 4.340 0.003 0.000 0.206 736 Q C -0.326 175.994 176.000 0.535 0.000 0.947 736 Q CA 0.601 56.591 55.803 0.311 0.000 0.937 736 Q CB 0.200 29.187 28.738 0.416 0.000 1.025 736 Q HN 0.376 nan 8.270 nan 0.000 0.511 737 Y N -3.101 117.383 120.300 0.306 0.000 2.592 737 Y HA 0.746 5.297 4.550 0.002 0.000 0.334 737 Y C -0.655 175.247 175.900 0.004 0.000 1.136 737 Y CA -1.540 56.632 58.100 0.119 0.000 1.042 737 Y CB 0.961 39.215 38.460 -0.343 0.000 1.325 737 Y HN -0.380 nan 8.280 nan 0.000 0.457 738 R N 1.563 121.969 120.500 -0.156 0.000 2.686 738 R HA 0.461 4.803 4.340 0.003 0.000 0.283 738 R C -2.003 174.121 176.300 -0.292 0.000 0.978 738 R CA -1.318 54.588 56.100 -0.323 0.000 0.897 738 R CB 2.017 31.896 30.300 -0.701 0.000 1.192 738 R HN 0.790 nan 8.270 nan 0.000 0.457 739 F N 0.396 120.255 119.950 -0.151 0.000 2.420 739 F HA 0.465 4.993 4.527 0.002 0.000 0.352 739 F C 1.321 177.039 175.800 -0.137 0.000 1.108 739 F CA 0.385 58.368 58.000 -0.027 0.000 1.162 739 F CB 1.558 40.587 39.000 0.047 0.000 1.118 739 F HN 0.532 nan 8.300 nan 0.000 0.510 740 G N 3.602 112.413 108.800 0.019 0.000 2.471 740 G HA2 0.421 4.383 3.960 0.003 0.000 0.332 740 G HA3 0.421 4.383 3.960 0.003 0.000 0.332 740 G C 0.669 175.667 174.900 0.163 0.000 1.176 740 G CA -0.638 44.387 45.100 -0.126 0.000 0.949 740 G HN 0.715 nan 8.290 nan 0.000 0.488 741 I N -0.352 120.260 120.570 0.069 0.000 2.530 741 I HA -0.118 4.054 4.170 0.003 0.000 0.257 741 I C 2.228 178.494 176.117 0.249 0.000 1.179 741 I CA 1.592 62.975 61.300 0.139 0.000 1.440 741 I CB 0.345 38.370 38.000 0.041 0.000 1.087 741 I HN 0.519 nan 8.210 nan 0.000 0.440 742 T N -1.978 112.680 114.554 0.172 0.000 3.051 742 T HA 0.210 4.562 4.350 0.003 0.000 0.254 742 T C 0.329 174.892 174.700 -0.228 0.000 0.916 742 T CA -0.218 61.960 62.100 0.130 0.000 0.894 742 T CB 0.712 69.619 68.868 0.065 0.000 1.251 742 T HN 0.010 nan 8.240 nan 0.000 0.517 743 K N 0.997 121.210 120.400 -0.313 0.000 2.267 743 K HA 0.615 4.937 4.320 0.003 0.000 0.246 743 K C -1.348 174.880 176.600 -0.620 0.000 0.954 743 K CA -0.790 55.207 56.287 -0.483 0.000 0.824 743 K CB 2.401 34.844 32.500 -0.095 0.000 1.167 743 K HN 0.025 nan 8.250 nan 0.000 0.431 744 I N 2.949 123.072 120.570 -0.745 0.000 2.336 744 I HA 0.298 4.469 4.170 0.003 0.000 0.292 744 I C -1.227 174.669 176.117 -0.367 0.000 0.991 744 I CA -0.597 60.298 61.300 -0.673 0.000 1.227 744 I CB 0.444 37.890 38.000 -0.923 0.000 1.366 744 I HN 0.478 nan 8.210 nan 0.000 0.466 745 F N 7.551 127.150 119.950 -0.586 0.000 2.394 745 F HA 0.442 4.970 4.527 0.002 0.000 0.340 745 F C -0.238 175.447 175.800 -0.191 0.000 1.105 745 F CA -0.297 57.511 58.000 -0.319 0.000 1.124 745 F CB 1.009 39.746 39.000 -0.438 0.000 1.145 745 F HN 0.200 nan 8.300 nan 0.000 0.505 746 F N 2.663 122.771 119.950 0.263 0.000 2.540 746 F HA 0.515 5.044 4.527 0.003 0.000 0.317 746 F C 0.397 176.315 175.800 0.197 0.000 1.104 746 F CA -1.128 57.029 58.000 0.261 0.000 0.913 746 F CB 1.490 40.529 39.000 0.066 0.000 1.170 746 F HN 0.256 nan 8.300 nan 0.000 0.450 747 R N 1.202 121.897 120.500 0.324 0.000 2.615 747 R HA 0.588 4.929 4.340 0.003 0.000 0.270 747 R C -0.185 176.131 176.300 0.025 0.000 1.081 747 R CA -0.553 55.520 56.100 -0.045 0.000 1.154 747 R CB 0.767 30.957 30.300 -0.183 0.000 1.063 747 R HN 0.760 nan 8.270 nan 0.000 0.519 748 A N 0.609 123.416 122.820 -0.022 0.000 2.546 748 A HA 0.338 4.660 4.320 0.003 0.000 0.243 748 A C 1.288 178.878 177.584 0.009 0.000 1.063 748 A CA 0.924 52.958 52.037 -0.005 0.000 0.757 748 A CB -0.350 18.668 19.000 0.030 0.000 0.991 748 A HN 0.904 nan 8.150 nan 0.000 0.503 749 G N 1.090 109.827 108.800 -0.106 0.000 2.320 749 G HA2 -0.362 3.600 3.960 0.003 0.000 0.242 749 G HA3 -0.362 3.600 3.960 0.003 0.000 0.242 749 G C 1.210 175.989 174.900 -0.202 0.000 1.033 749 G CA 1.142 46.133 45.100 -0.181 0.000 0.620 749 G HN 0.972 nan 8.290 nan 0.000 0.517 750 Q N 0.321 120.052 119.800 -0.114 0.000 2.030 750 Q HA 0.047 4.388 4.340 0.003 0.000 0.204 750 Q C 2.550 178.350 176.000 -0.333 0.000 0.986 750 Q CA 2.476 58.201 55.803 -0.131 0.000 0.843 750 Q CB -0.583 28.161 28.738 0.010 0.000 0.904 750 Q HN 0.781 nan 8.270 nan 0.000 0.420 751 L N 0.148 121.092 121.223 -0.464 0.000 2.042 751 L HA -0.124 4.218 4.340 0.003 0.000 0.210 751 L C 2.098 178.854 176.870 -0.189 0.000 1.076 751 L CA 2.290 56.861 54.840 -0.449 0.000 0.749 751 L CB -1.125 40.785 42.059 -0.248 0.000 0.893 751 L HN 0.288 nan 8.230 nan 0.000 0.432 752 A N -1.028 121.633 122.820 -0.264 0.000 1.940 752 A HA -0.232 4.090 4.320 0.003 0.000 0.219 752 A C 2.312 179.872 177.584 -0.039 0.000 1.176 752 A CA 1.703 53.623 52.037 -0.196 0.000 0.631 752 A CB -0.478 18.070 19.000 -0.754 0.000 0.814 752 A HN 0.385 nan 8.150 nan 0.000 0.446 753 R N -0.155 120.304 120.500 -0.069 0.000 2.092 753 R HA 0.100 4.442 4.340 0.003 0.000 0.231 753 R C 1.913 178.210 176.300 -0.005 0.000 1.119 753 R CA 1.102 57.210 56.100 0.012 0.000 0.970 753 R CB -0.772 29.545 30.300 0.028 0.000 0.864 753 R HN 0.656 nan 8.270 nan 0.000 0.440 754 I N 0.208 120.718 120.570 -0.100 0.000 2.142 754 I HA -0.269 3.903 4.170 0.003 0.000 0.240 754 I C 2.157 178.249 176.117 -0.042 0.000 1.078 754 I CA 1.555 62.761 61.300 -0.156 0.000 1.343 754 I CB -0.335 37.429 38.000 -0.394 0.000 1.046 754 I HN 0.166 nan 8.210 nan 0.000 0.405 755 E N 1.558 121.776 120.200 0.029 0.000 2.171 755 E HA -0.275 4.076 4.350 0.003 0.000 0.197 755 E C 1.838 178.613 176.600 0.290 0.000 0.997 755 E CA 1.638 58.224 56.400 0.310 0.000 0.810 755 E CB -0.121 29.736 29.700 0.263 0.000 0.738 755 E HN 0.451 nan 8.360 nan 0.000 0.467 756 E N -0.237 120.064 120.200 0.169 0.000 2.427 756 E HA 0.080 4.432 4.350 0.003 0.000 0.196 756 E C 0.282 176.973 176.600 0.151 0.000 1.028 756 E CA 0.213 56.692 56.400 0.132 0.000 0.864 756 E CB 0.078 29.839 29.700 0.101 0.000 0.813 756 E HN 0.339 nan 8.360 nan 0.000 0.514 757 A N 1.228 124.155 122.820 0.178 0.000 2.366 757 A HA 0.534 4.856 4.320 0.003 0.000 0.249 757 A C 0.489 178.192 177.584 0.199 0.000 1.084 757 A CA 0.087 52.209 52.037 0.143 0.000 0.794 757 A CB 0.216 19.262 19.000 0.076 0.000 1.034 757 A HN 0.277 nan 8.150 nan 0.000 0.491 758 R N 0.147 120.722 120.500 0.126 0.000 2.500 758 R HA 0.651 4.992 4.340 0.003 0.000 0.277 758 R C 0.392 176.716 176.300 0.040 0.000 1.026 758 R CA 0.288 56.462 56.100 0.122 0.000 1.058 758 R CB -0.764 29.588 30.300 0.087 0.000 1.078 758 R HN 1.589 nan 8.270 nan 0.000 0.509 759 E N 0.000 120.223 120.200 0.039 0.000 2.725 759 E HA 0.000 4.352 4.350 0.003 0.000 0.291 759 E CA 0.000 56.358 56.400 -0.071 0.000 0.976 759 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 759 E HN 0.000 nan 8.360 nan 0.000 0.440