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 1ohw_1_C DATA FIRST_RESID 11 DATA SEQUENCE FDYDGPLMKT EVPGPRSREL MKQLNIIQNA EAVHFFCNYE ESRGNYLVDV DATA SEQUENCE DGNRMLDLYS QISSIPIGYS HPALVKLVQQ PQNVSTFINR PALGILPPEN DATA SEQUENCE FVEKLRESLL SVAPKGMSQL ITMACGSCSN ENAFKTIFMW YRSKERGQSA DATA SEQUENCE FSKEELETCM INQAPGCPDY SILSFMGAFH GRTMGCLATT HSKAIHKIDI DATA SEQUENCE PSFDWPIAPF PRLKYPLEEF VKENQQEEAR CLEEVEDLIV KYRKKKKTVA DATA SEQUENCE GIIVEPIQSE GGDNHASDDF FRKLRDISRK HGCAFLVDEV QTGGGSTGKF DATA SEQUENCE WAHEHWGLDD PADVMTFSKK MMTGGFFHKE EFRPNAPYRI FNTWLGDPSK DATA SEQUENCE NLLLAEVINI IKREDLLSNA AHAGKVLLTG LLDLQARYPQ FISRVRGRGT DATA SEQUENCE FCSFDTPDES IRNKLISIAR NKGVMLGGCG DKSIRFRPTL VFRDHHAHLF DATA SEQUENCE LNIFSDILAD F 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.790 175.800 -0.017 0.000 0.967 11 F CA 0.000 57.950 58.000 -0.083 0.000 1.383 11 F CB 0.000 38.931 39.000 -0.116 0.000 1.145 12 D N 0.563 120.960 120.400 -0.005 0.000 2.663 12 D HA 0.539 5.178 4.640 -0.001 0.000 0.233 12 D C -1.261 175.055 176.300 0.027 0.000 1.240 12 D CA -0.185 53.895 54.000 0.132 0.000 0.774 12 D CB 1.949 42.921 40.800 0.285 0.000 1.443 12 D HN 0.543 nan 8.370 nan 0.000 0.441 13 Y N 0.182 120.548 120.300 0.110 0.000 2.289 13 Y HA 0.380 4.930 4.550 -0.001 0.000 0.332 13 Y C 1.979 177.816 175.900 -0.104 0.000 1.324 13 Y CA 0.791 58.806 58.100 -0.142 0.000 1.478 13 Y CB 0.690 38.861 38.460 -0.482 0.000 1.378 13 Y HN 0.549 nan 8.280 nan 0.000 0.558 14 D N -0.361 120.073 120.400 0.056 0.000 2.333 14 D HA 0.412 5.052 4.640 -0.001 0.000 0.208 14 D C 0.764 177.107 176.300 0.072 0.000 0.984 14 D CA 1.045 55.084 54.000 0.065 0.000 0.873 14 D CB -0.052 40.768 40.800 0.034 0.000 0.935 14 D HN 0.838 nan 8.370 nan 0.000 0.521 15 G N -0.883 107.854 108.800 -0.106 0.000 2.322 15 G HA2 0.468 4.427 3.960 -0.001 0.000 0.295 15 G HA3 0.468 4.427 3.960 -0.001 0.000 0.295 15 G C -3.270 171.538 174.900 -0.152 0.000 1.369 15 G CA -0.209 44.906 45.100 0.026 0.000 0.821 15 G HN 0.084 nan 8.290 nan 0.000 0.536 16 P HA 0.590 nan 4.420 nan 0.000 0.276 16 P C -0.300 176.988 177.300 -0.021 0.000 1.244 16 P CA -0.149 63.007 63.100 0.094 0.000 0.801 16 P CB 1.292 33.117 31.700 0.208 0.000 1.006 17 L N 2.189 123.375 121.223 -0.063 0.000 2.541 17 L HA 0.590 4.930 4.340 -0.001 0.000 0.266 17 L C -0.507 176.321 176.870 -0.070 0.000 0.966 17 L CA -0.876 53.920 54.840 -0.073 0.000 0.871 17 L CB 1.390 43.380 42.059 -0.114 0.000 1.232 17 L HN 0.212 nan 8.230 nan 0.000 0.408 18 M N 1.880 121.450 119.600 -0.048 0.000 2.300 18 M HA 0.543 5.022 4.480 -0.001 0.000 0.348 18 M C 0.728 176.995 176.300 -0.054 0.000 1.151 18 M CA -0.317 54.949 55.300 -0.056 0.000 1.046 18 M CB 1.384 33.959 32.600 -0.042 0.000 1.647 18 M HN 0.743 nan 8.290 nan 0.000 0.451 19 K N 0.451 120.813 120.400 -0.063 0.000 2.387 19 K HA 0.138 4.457 4.320 -0.001 0.000 0.197 19 K C 0.600 177.170 176.600 -0.050 0.000 1.127 19 K CA 0.564 56.820 56.287 -0.053 0.000 0.950 19 K CB 0.830 33.297 32.500 -0.055 0.000 1.017 19 K HN 0.860 nan 8.250 nan 0.000 0.519 20 T N -0.382 114.136 114.554 -0.061 0.000 2.841 20 T HA 0.179 4.529 4.350 -0.001 0.000 0.296 20 T C -0.752 173.909 174.700 -0.064 0.000 1.166 20 T CA -1.108 60.959 62.100 -0.056 0.000 1.007 20 T CB 2.026 70.861 68.868 -0.055 0.000 1.253 20 T HN 0.042 nan 8.240 nan 0.000 0.511 21 E N 0.944 121.113 120.200 -0.051 0.000 2.436 21 E HA 0.268 4.618 4.350 -0.001 0.000 0.262 21 E C -0.869 175.688 176.600 -0.072 0.000 1.063 21 E CA -0.412 55.957 56.400 -0.052 0.000 0.944 21 E CB 0.473 30.154 29.700 -0.033 0.000 0.950 21 E HN 0.495 nan 8.360 nan 0.000 0.444 22 V N 3.790 123.654 119.914 -0.082 0.000 2.487 22 V HA 0.325 4.445 4.120 -0.001 0.000 0.298 22 V C -2.021 174.060 176.094 -0.023 0.000 1.028 22 V CA -1.724 60.507 62.300 -0.115 0.000 0.860 22 V CB 1.481 33.151 31.823 -0.254 0.000 0.991 22 V HN 0.740 nan 8.190 nan 0.000 0.427 23 P HA 0.287 nan 4.420 nan 0.000 0.275 23 P C 0.179 177.485 177.300 0.010 0.000 1.227 23 P CA 0.199 63.334 63.100 0.057 0.000 0.781 23 P CB 1.339 33.136 31.700 0.161 0.000 0.906 24 G N 2.589 111.380 108.800 -0.015 0.000 2.543 24 G HA2 0.321 4.280 3.960 -0.001 0.000 0.290 24 G HA3 0.321 4.280 3.960 -0.001 0.000 0.290 24 G C -1.703 173.194 174.900 -0.005 0.000 1.310 24 G CA -1.233 43.853 45.100 -0.022 0.000 1.025 24 G HN 0.231 nan 8.290 nan 0.000 0.502 25 P HA -0.119 nan 4.420 nan 0.000 0.215 25 P C 2.349 179.634 177.300 -0.025 0.000 1.157 25 P CA 2.648 65.738 63.100 -0.017 0.000 0.874 25 P CB -0.005 31.682 31.700 -0.022 0.000 0.790 26 R N -0.074 120.408 120.500 -0.030 0.000 2.092 26 R HA -0.047 4.293 4.340 -0.001 0.000 0.231 26 R C 2.443 178.701 176.300 -0.069 0.000 1.119 26 R CA 2.182 58.251 56.100 -0.051 0.000 0.970 26 R CB -2.095 28.179 30.300 -0.043 0.000 0.864 26 R HN 0.191 nan 8.270 nan 0.000 0.440 27 S N 0.119 115.820 115.700 0.000 0.000 2.368 27 S HA -0.125 4.344 4.470 -0.001 0.000 0.225 27 S C 2.186 176.811 174.600 0.042 0.000 1.030 27 S CA 1.362 59.609 58.200 0.079 0.000 0.999 27 S CB -0.226 63.104 63.200 0.218 0.000 0.844 27 S HN 0.640 nan 8.310 nan 0.000 0.459 28 R N 0.810 121.329 120.500 0.032 0.000 2.115 28 R HA 0.003 4.342 4.340 -0.001 0.000 0.230 28 R C 2.324 178.614 176.300 -0.017 0.000 1.111 28 R CA 0.843 56.962 56.100 0.031 0.000 0.976 28 R CB -0.193 30.122 30.300 0.024 0.000 0.870 28 R HN 0.345 nan 8.270 nan 0.000 0.445 29 E N 1.130 121.293 120.200 -0.060 0.000 2.072 29 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 29 E C 2.012 178.516 176.600 -0.160 0.000 0.985 29 E CA 1.086 57.432 56.400 -0.089 0.000 0.801 29 E CB 0.031 29.678 29.700 -0.088 0.000 0.750 29 E HN 0.297 nan 8.360 nan 0.000 0.452 30 L N -0.130 120.900 121.223 -0.321 0.000 2.156 30 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 30 L C 2.675 179.302 176.870 -0.404 0.000 1.095 30 L CA 0.624 55.089 54.840 -0.626 0.000 0.770 30 L CB -0.257 40.932 42.059 -1.450 0.000 0.914 30 L HN 0.144 nan 8.230 nan 0.000 0.439 31 M N -0.717 118.823 119.600 -0.101 0.000 2.175 31 M HA -0.213 4.267 4.480 -0.001 0.000 0.264 31 M C 2.639 178.995 176.300 0.093 0.000 1.063 31 M CA 1.586 56.999 55.300 0.189 0.000 1.119 31 M CB -0.262 32.468 32.600 0.216 0.000 1.377 31 M HN 0.029 nan 8.290 nan 0.000 0.415 32 K N 0.278 120.692 120.400 0.024 0.000 2.057 32 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 32 K C 1.705 178.312 176.600 0.013 0.000 1.050 32 K CA 1.696 57.993 56.287 0.018 0.000 0.935 32 K CB -0.472 32.027 32.500 -0.001 0.000 0.715 32 K HN 0.580 nan 8.250 nan 0.000 0.439 33 Q N -0.326 119.465 119.800 -0.014 0.000 2.050 33 Q HA -0.083 4.256 4.340 -0.001 0.000 0.202 33 Q C 2.219 178.240 176.000 0.034 0.000 0.980 33 Q CA 1.862 57.660 55.803 -0.007 0.000 0.840 33 Q CB -0.297 28.413 28.738 -0.045 0.000 0.898 33 Q HN 0.324 nan 8.270 nan 0.000 0.424 34 L N 1.059 122.328 121.223 0.078 0.000 2.141 34 L HA -0.132 4.207 4.340 -0.001 0.000 0.209 34 L C 1.643 178.568 176.870 0.092 0.000 1.094 34 L CA 1.660 56.578 54.840 0.130 0.000 0.763 34 L CB -0.450 41.767 42.059 0.264 0.000 0.908 34 L HN 0.133 nan 8.230 nan 0.000 0.437 35 N N -0.813 117.934 118.700 0.079 0.000 2.459 35 N HA -0.126 4.614 4.740 -0.001 0.000 0.181 35 N C 1.641 177.177 175.510 0.042 0.000 1.046 35 N CA 0.722 53.807 53.050 0.059 0.000 0.904 35 N CB -0.032 38.488 38.487 0.055 0.000 0.964 35 N HN 0.286 nan 8.380 nan 0.000 0.444 36 I N 0.001 120.594 120.570 0.038 0.000 2.286 36 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 36 I C 1.551 177.685 176.117 0.029 0.000 1.115 36 I CA 1.118 62.435 61.300 0.028 0.000 1.392 36 I CB -0.600 37.414 38.000 0.023 0.000 1.065 36 I HN 0.194 nan 8.210 nan 0.000 0.418 37 I N -0.705 119.887 120.570 0.036 0.000 3.265 37 I HA -0.049 4.120 4.170 -0.001 0.000 0.282 37 I C 0.955 177.092 176.117 0.033 0.000 1.207 37 I CA 0.396 61.717 61.300 0.034 0.000 1.449 37 I CB 0.225 38.249 38.000 0.039 0.000 1.121 37 I HN 0.354 nan 8.210 nan 0.000 0.442 38 Q N -0.933 118.889 119.800 0.037 0.000 2.687 38 Q HA 0.259 4.599 4.340 -0.001 0.000 0.295 38 Q C -0.941 175.081 176.000 0.035 0.000 0.920 38 Q CA -0.912 54.910 55.803 0.033 0.000 0.766 38 Q CB 0.702 29.458 28.738 0.030 0.000 1.467 38 Q HN -0.085 nan 8.270 nan 0.000 0.415 39 N N 0.080 118.799 118.700 0.030 0.000 2.438 39 N HA 0.170 4.910 4.740 -0.001 0.000 0.267 39 N C -0.660 174.871 175.510 0.035 0.000 1.222 39 N CA 0.804 53.873 53.050 0.032 0.000 0.930 39 N CB 1.318 39.822 38.487 0.028 0.000 1.083 39 N HN 0.681 nan 8.380 nan 0.000 0.476 40 A N 3.689 126.537 122.820 0.046 0.000 2.535 40 A HA 0.148 4.468 4.320 -0.001 0.000 0.273 40 A C 1.347 178.965 177.584 0.057 0.000 1.267 40 A CA -0.299 51.771 52.037 0.054 0.000 0.940 40 A CB 0.040 19.095 19.000 0.090 0.000 1.101 40 A HN 0.786 nan 8.150 nan 0.000 0.521 41 E N 0.210 120.440 120.200 0.050 0.000 2.204 41 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 41 E C 2.046 178.685 176.600 0.064 0.000 0.990 41 E CA 0.979 57.412 56.400 0.055 0.000 0.821 41 E CB -0.083 29.645 29.700 0.045 0.000 0.750 41 E HN 0.668 nan 8.360 nan 0.000 0.477 42 A N 1.091 123.939 122.820 0.047 0.000 2.066 42 A HA -0.028 4.292 4.320 -0.001 0.000 0.218 42 A C 1.254 178.870 177.584 0.052 0.000 1.157 42 A CA 0.231 52.296 52.037 0.047 0.000 0.670 42 A CB -0.043 18.955 19.000 -0.004 0.000 0.804 42 A HN 0.029 nan 8.150 nan 0.000 0.453 43 V N 1.675 121.605 119.914 0.027 0.000 2.493 43 V HA -0.030 4.089 4.120 -0.001 0.000 0.292 43 V C 1.415 177.596 176.094 0.145 0.000 1.016 43 V CA 0.227 62.518 62.300 -0.015 0.000 1.097 43 V CB -0.121 31.694 31.823 -0.014 0.000 0.947 43 V HN 0.571 nan 8.190 nan 0.000 0.479 44 H N 5.325 124.320 119.070 -0.125 0.000 2.294 44 H HA 0.210 4.766 4.556 -0.001 0.000 0.306 44 H C 0.270 175.684 175.328 0.143 0.000 1.065 44 H CA 1.594 57.609 56.048 -0.055 0.000 1.343 44 H CB 0.033 29.645 29.762 -0.250 0.000 1.396 44 H HN 0.690 nan 8.280 nan 0.000 0.506 45 F N -4.081 115.956 119.950 0.146 0.000 2.842 45 F HA 0.417 4.944 4.527 -0.001 0.000 0.319 45 F C -1.561 174.275 175.800 0.060 0.000 1.159 45 F CA -1.859 56.226 58.000 0.142 0.000 0.902 45 F CB 0.559 39.624 39.000 0.108 0.000 1.311 45 F HN -0.292 nan 8.300 nan 0.000 0.453 46 F N 1.205 121.307 119.950 0.254 0.000 2.379 46 F HA 0.663 5.189 4.527 -0.001 0.000 0.332 46 F C 0.166 176.048 175.800 0.137 0.000 1.096 46 F CA -0.634 57.437 58.000 0.118 0.000 1.105 46 F CB 1.488 40.535 39.000 0.078 0.000 1.189 46 F HN 0.657 nan 8.300 nan 0.000 0.515 47 C N 2.330 121.687 119.300 0.095 0.000 2.493 47 C HA 0.378 4.837 4.460 -0.001 0.000 0.326 47 C C -0.042 174.818 174.990 -0.217 0.000 1.200 47 C CA -1.099 57.809 59.018 -0.183 0.000 1.739 47 C CB 1.542 28.831 27.740 -0.752 0.000 2.300 47 C HN 0.695 nan 8.230 nan 0.000 0.500 48 N N 0.681 119.242 118.700 -0.233 0.000 2.801 48 N HA 0.222 4.961 4.740 -0.001 0.000 0.235 48 N C 0.149 175.534 175.510 -0.209 0.000 1.069 48 N CA -0.153 52.816 53.050 -0.135 0.000 0.946 48 N CB 0.040 38.493 38.487 -0.056 0.000 1.212 48 N HN 0.630 nan 8.380 nan 0.000 0.509 49 Y N 1.369 121.658 120.300 -0.018 0.000 2.352 49 Y HA -0.076 4.473 4.550 -0.001 0.000 0.292 49 Y C 1.698 177.601 175.900 0.005 0.000 1.136 49 Y CA 0.867 58.937 58.100 -0.050 0.000 1.227 49 Y CB 0.231 38.674 38.460 -0.030 0.000 0.991 49 Y HN 0.456 nan 8.280 nan 0.000 0.545 50 E N -0.196 120.089 120.200 0.141 0.000 2.160 50 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 50 E C 2.042 178.700 176.600 0.097 0.000 0.991 50 E CA 1.498 57.962 56.400 0.106 0.000 0.810 50 E CB -0.171 29.575 29.700 0.076 0.000 0.742 50 E HN 0.258 nan 8.360 nan 0.000 0.466 51 E N -0.293 119.957 120.200 0.083 0.000 2.472 51 E HA 0.187 4.536 4.350 -0.001 0.000 0.196 51 E C 0.246 176.961 176.600 0.192 0.000 1.033 51 E CA -0.003 56.469 56.400 0.121 0.000 0.886 51 E CB 0.620 30.372 29.700 0.086 0.000 0.944 51 E HN 0.163 nan 8.360 nan 0.000 0.492 52 S N 0.970 116.743 115.700 0.122 0.000 2.592 52 S HA 0.591 5.061 4.470 -0.001 0.000 0.271 52 S C 0.174 174.961 174.600 0.311 0.000 1.326 52 S CA -0.379 57.909 58.200 0.147 0.000 1.024 52 S CB 1.071 64.155 63.200 -0.193 0.000 0.921 52 S HN 0.234 nan 8.310 nan 0.000 0.527 53 R N -0.257 120.519 120.500 0.460 0.000 2.563 53 R HA 0.473 4.813 4.340 -0.001 0.000 0.262 53 R C 0.489 177.045 176.300 0.428 0.000 1.128 53 R CA 0.493 56.819 56.100 0.376 0.000 0.969 53 R CB 0.709 31.108 30.300 0.167 0.000 1.251 53 R HN 0.931 nan 8.270 nan 0.000 0.442 54 G N 3.023 111.992 108.800 0.282 0.000 2.629 54 G HA2 -0.454 3.505 3.960 -0.001 0.000 0.313 54 G HA3 -0.454 3.505 3.960 -0.001 0.000 0.313 54 G C 0.348 175.342 174.900 0.157 0.000 1.217 54 G CA 0.830 46.048 45.100 0.196 0.000 0.994 54 G HN 0.699 nan 8.290 nan 0.000 0.549 55 N N 0.177 118.917 118.700 0.067 0.000 2.461 55 N HA 0.282 5.022 4.740 -0.001 0.000 0.188 55 N C -0.247 175.124 175.510 -0.232 0.000 1.134 55 N CA 0.342 53.278 53.050 -0.191 0.000 0.878 55 N CB 0.144 38.297 38.487 -0.557 0.000 0.972 55 N HN 0.440 nan 8.380 nan 0.000 0.456 56 Y N 0.536 121.031 120.300 0.326 0.000 2.328 56 Y HA 0.378 4.928 4.550 -0.001 0.000 0.337 56 Y C -0.376 175.666 175.900 0.237 0.000 0.966 56 Y CA -1.199 57.065 58.100 0.274 0.000 1.136 56 Y CB 0.991 39.601 38.460 0.249 0.000 1.170 56 Y HN -0.086 nan 8.280 nan 0.000 0.470 57 L N 4.908 126.263 121.223 0.220 0.000 2.276 57 L HA 0.620 4.959 4.340 -0.001 0.000 0.286 57 L C -0.936 175.913 176.870 -0.035 0.000 1.061 57 L CA -0.465 54.344 54.840 -0.051 0.000 0.807 57 L CB 0.827 42.897 42.059 0.018 0.000 1.177 57 L HN 0.410 nan 8.230 nan 0.000 0.429 58 V N 4.882 124.719 119.914 -0.128 0.000 2.435 58 V HA 0.426 4.546 4.120 -0.001 0.000 0.290 58 V C -0.278 175.739 176.094 -0.129 0.000 1.030 58 V CA -0.727 61.502 62.300 -0.119 0.000 0.881 58 V CB 1.570 33.333 31.823 -0.100 0.000 0.983 58 V HN 0.907 nan 8.190 nan 0.000 0.445 59 D N 3.518 123.851 120.400 -0.111 0.000 2.487 59 D HA 0.225 4.864 4.640 -0.001 0.000 0.262 59 D C 1.024 177.301 176.300 -0.037 0.000 1.130 59 D CA -0.298 53.670 54.000 -0.053 0.000 1.038 59 D CB 1.535 42.232 40.800 -0.170 0.000 1.142 59 D HN 0.325 nan 8.370 nan 0.000 0.575 60 V N -2.919 117.011 119.914 0.027 0.000 3.305 60 V HA 0.020 4.139 4.120 -0.001 0.000 0.269 60 V C 0.633 176.719 176.094 -0.014 0.000 1.157 60 V CA 1.181 63.492 62.300 0.019 0.000 1.157 60 V CB -0.605 31.252 31.823 0.058 0.000 0.772 60 V HN 0.443 nan 8.190 nan 0.000 0.498 61 D N 0.868 121.246 120.400 -0.036 0.000 2.342 61 D HA 0.268 4.908 4.640 -0.001 0.000 0.221 61 D C 1.761 178.023 176.300 -0.063 0.000 1.101 61 D CA 0.901 54.871 54.000 -0.050 0.000 0.837 61 D CB 0.776 41.540 40.800 -0.060 0.000 0.938 61 D HN 0.705 nan 8.370 nan 0.000 0.508 62 G N 1.570 110.329 108.800 -0.068 0.000 2.179 62 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.260 62 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.260 62 G C 0.295 175.133 174.900 -0.104 0.000 0.977 62 G CA -0.387 44.667 45.100 -0.076 0.000 0.641 62 G HN 0.212 nan 8.290 nan 0.000 0.533 63 N N 0.332 118.957 118.700 -0.126 0.000 2.513 63 N HA 0.356 5.096 4.740 -0.001 0.000 0.268 63 N C 0.275 175.695 175.510 -0.150 0.000 1.180 63 N CA 0.140 53.103 53.050 -0.146 0.000 0.948 63 N CB 1.031 39.403 38.487 -0.193 0.000 1.083 63 N HN 0.568 nan 8.380 nan 0.000 0.455 64 R N 2.588 123.008 120.500 -0.134 0.000 2.388 64 R HA 0.383 4.723 4.340 -0.001 0.000 0.314 64 R C -1.030 175.280 176.300 0.017 0.000 0.959 64 R CA -0.434 55.594 56.100 -0.120 0.000 0.851 64 R CB 0.578 30.702 30.300 -0.294 0.000 1.168 64 R HN 0.493 nan 8.270 nan 0.000 0.472 65 M N 4.563 124.223 119.600 0.100 0.000 2.364 65 M HA 0.273 4.752 4.480 -0.001 0.000 0.334 65 M C -0.714 175.731 176.300 0.242 0.000 1.107 65 M CA -1.195 54.200 55.300 0.160 0.000 0.988 65 M CB 2.027 34.672 32.600 0.075 0.000 1.673 65 M HN 0.444 nan 8.290 nan 0.000 0.441 66 L N 3.308 124.654 121.223 0.206 0.000 2.562 66 L HA 0.069 4.408 4.340 -0.001 0.000 0.271 66 L C -0.435 176.429 176.870 -0.009 0.000 1.167 66 L CA 0.763 55.546 54.840 -0.094 0.000 0.917 66 L CB -0.096 42.001 42.059 0.063 0.000 1.187 66 L HN 0.524 nan 8.230 nan 0.000 0.482 67 D N 5.298 125.669 120.400 -0.048 0.000 2.443 67 D HA 0.190 4.830 4.640 -0.001 0.000 0.221 67 D C 0.238 176.528 176.300 -0.016 0.000 1.097 67 D CA -0.102 53.934 54.000 0.061 0.000 0.865 67 D CB 0.533 41.461 40.800 0.213 0.000 1.034 67 D HN 0.622 nan 8.370 nan 0.000 0.511 68 L N 3.605 124.806 121.223 -0.037 0.000 2.791 68 L HA 0.147 4.486 4.340 -0.001 0.000 0.239 68 L C 0.413 177.229 176.870 -0.090 0.000 1.203 68 L CA -0.209 54.547 54.840 -0.140 0.000 1.002 68 L CB -0.025 41.927 42.059 -0.179 0.000 1.295 68 L HN 0.404 nan 8.230 nan 0.000 0.504 69 Y N 0.733 120.924 120.300 -0.180 0.000 2.526 69 Y HA 0.002 4.552 4.550 -0.001 0.000 0.265 69 Y C 1.686 177.500 175.900 -0.144 0.000 1.092 69 Y CA -0.165 57.825 58.100 -0.183 0.000 1.277 69 Y CB 0.485 38.865 38.460 -0.133 0.000 1.228 69 Y HN 0.322 nan 8.280 nan 0.000 0.507 70 S N 1.624 117.284 115.700 -0.066 0.000 3.559 70 S HA -0.295 4.174 4.470 -0.001 0.000 0.369 70 S C -0.100 174.378 174.600 -0.203 0.000 0.987 70 S CA 0.830 58.947 58.200 -0.138 0.000 1.187 70 S CB -2.221 60.852 63.200 -0.211 0.000 0.914 70 S HN 0.605 nan 8.310 nan 0.000 0.480 71 Q N -0.801 118.883 119.800 -0.192 0.000 2.470 71 Q HA -0.232 4.108 4.340 -0.001 0.000 0.294 71 Q C 0.778 176.518 176.000 -0.433 0.000 1.356 71 Q CA 1.193 56.852 55.803 -0.239 0.000 0.805 71 Q CB -2.735 25.948 28.738 -0.092 0.000 1.157 71 Q HN 1.804 nan 8.270 nan 0.000 0.431 72 I N -2.809 117.246 120.570 -0.858 0.000 6.835 72 I HA -0.301 3.868 4.170 -0.001 0.000 0.126 72 I C 0.528 176.358 176.117 -0.477 0.000 1.824 72 I CA 0.990 61.748 61.300 -0.903 0.000 2.065 72 I CB -2.248 35.389 38.000 -0.606 0.000 3.539 72 I HN 0.498 nan 8.210 nan 0.000 0.178 73 S N 0.562 116.010 115.700 -0.421 0.000 3.698 73 S HA -0.191 4.278 4.470 -0.001 0.000 0.338 73 S C 1.085 175.578 174.600 -0.178 0.000 1.089 73 S CA 1.255 59.301 58.200 -0.256 0.000 0.991 73 S CB -0.912 62.167 63.200 -0.203 0.000 0.909 73 S HN 1.412 nan 8.310 nan 0.000 0.485 74 S N -0.709 114.879 115.700 -0.187 0.000 2.632 74 S HA 0.436 4.906 4.470 -0.001 0.000 0.237 74 S C 0.228 174.752 174.600 -0.127 0.000 1.037 74 S CA -0.426 57.695 58.200 -0.132 0.000 1.009 74 S CB 0.359 63.484 63.200 -0.124 0.000 0.974 74 S HN 0.453 nan 8.310 nan 0.000 0.544 75 I N 4.374 124.844 120.570 -0.167 0.000 2.291 75 I HA 0.354 4.524 4.170 -0.001 0.000 0.290 75 I C -1.628 174.374 176.117 -0.191 0.000 1.050 75 I CA -2.234 58.951 61.300 -0.192 0.000 1.245 75 I CB 1.099 38.912 38.000 -0.312 0.000 1.405 75 I HN 0.079 nan 8.210 nan 0.000 0.478 76 P HA -0.014 nan 4.420 nan 0.000 0.215 76 P C 0.915 178.133 177.300 -0.136 0.000 1.157 76 P CA 1.319 64.331 63.100 -0.146 0.000 0.856 76 P CB 0.552 32.176 31.700 -0.128 0.000 0.786 77 I N -5.073 115.426 120.570 -0.119 0.000 3.326 77 I HA 0.661 4.831 4.170 -0.001 0.000 0.336 77 I C 0.166 176.293 176.117 0.016 0.000 1.543 77 I CA -0.634 60.628 61.300 -0.062 0.000 1.013 77 I CB 0.334 38.253 38.000 -0.135 0.000 1.468 77 I HN 0.037 nan 8.210 nan 0.000 0.515 78 G N 1.209 109.940 108.800 -0.114 0.000 2.795 78 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.664 78 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.664 78 G C -0.842 173.969 174.900 -0.149 0.000 1.381 78 G CA -0.756 44.243 45.100 -0.168 0.000 0.853 78 G HN 0.400 nan 8.290 nan 0.000 0.545 79 Y N 0.530 120.904 120.300 0.123 0.000 2.336 79 Y HA 0.382 4.931 4.550 -0.001 0.000 0.331 79 Y C 1.805 177.784 175.900 0.132 0.000 1.211 79 Y CA 0.900 59.086 58.100 0.143 0.000 1.346 79 Y CB 1.265 39.842 38.460 0.194 0.000 1.271 79 Y HN 1.128 nan 8.280 nan 0.000 0.538 80 S N 0.941 116.812 115.700 0.286 0.000 3.559 80 S HA -0.264 4.205 4.470 -0.001 0.000 0.369 80 S C -0.232 174.449 174.600 0.134 0.000 0.987 80 S CA 0.378 58.687 58.200 0.182 0.000 1.187 80 S CB -1.851 61.447 63.200 0.163 0.000 0.914 80 S HN 0.701 nan 8.310 nan 0.000 0.480 81 H N 1.831 120.944 119.070 0.071 0.000 3.004 81 H HA 0.095 4.650 4.556 -0.001 0.000 0.316 81 H C -1.523 173.828 175.328 0.037 0.000 1.014 81 H CA -1.194 54.881 56.048 0.045 0.000 1.454 81 H CB 0.824 30.601 29.762 0.024 0.000 1.472 81 H HN 0.063 nan 8.280 nan 0.000 0.571 82 P HA -0.156 nan 4.420 nan 0.000 0.216 82 P C 1.110 178.498 177.300 0.146 0.000 1.150 82 P CA 1.978 65.084 63.100 0.009 0.000 0.843 82 P CB 0.100 31.746 31.700 -0.091 0.000 0.787 83 A N -0.829 122.207 122.820 0.360 0.000 1.969 83 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 83 A C 2.176 179.848 177.584 0.148 0.000 1.169 83 A CA 1.236 53.412 52.037 0.232 0.000 0.635 83 A CB -1.456 17.663 19.000 0.198 0.000 0.810 83 A HN 0.134 nan 8.150 nan 0.000 0.445 84 L N -0.773 120.553 121.223 0.172 0.000 2.179 84 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 84 L C 2.448 179.373 176.870 0.092 0.000 1.096 84 L CA 0.609 55.513 54.840 0.107 0.000 0.779 84 L CB -0.605 41.513 42.059 0.097 0.000 0.922 84 L HN 0.210 nan 8.230 nan 0.000 0.443 85 V N 0.948 120.917 119.914 0.091 0.000 2.287 85 V HA -0.355 3.765 4.120 -0.001 0.000 0.248 85 V C 3.169 179.290 176.094 0.046 0.000 1.053 85 V CA 2.610 64.942 62.300 0.054 0.000 1.027 85 V CB -1.036 30.814 31.823 0.046 0.000 0.646 85 V HN 0.570 nan 8.190 nan 0.000 0.447 86 K N -0.296 120.139 120.400 0.059 0.000 2.097 86 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 86 K C 2.029 178.665 176.600 0.059 0.000 1.049 86 K CA 1.815 58.132 56.287 0.051 0.000 0.933 86 K CB -0.913 31.618 32.500 0.051 0.000 0.717 86 K HN 0.510 nan 8.250 nan 0.000 0.442 87 L N 0.465 121.734 121.223 0.077 0.000 2.012 87 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 87 L C 2.572 179.529 176.870 0.144 0.000 1.073 87 L CA 1.306 56.210 54.840 0.107 0.000 0.748 87 L CB -0.509 41.627 42.059 0.127 0.000 0.891 87 L HN 0.231 nan 8.230 nan 0.000 0.431 88 V N -0.787 119.187 119.914 0.100 0.000 2.626 88 V HA -0.246 3.874 4.120 -0.001 0.000 0.252 88 V C 2.250 178.344 176.094 0.001 0.000 1.067 88 V CA 1.396 63.700 62.300 0.007 0.000 1.081 88 V CB -0.461 31.265 31.823 -0.161 0.000 0.686 88 V HN 0.504 nan 8.190 nan 0.000 0.468 89 Q N -0.707 119.104 119.800 0.019 0.000 2.378 89 Q HA -0.035 4.305 4.340 -0.001 0.000 0.205 89 Q C 0.491 176.511 176.000 0.033 0.000 0.954 89 Q CA 0.295 56.107 55.803 0.016 0.000 0.901 89 Q CB 0.073 28.820 28.738 0.015 0.000 0.981 89 Q HN 0.542 nan 8.270 nan 0.000 0.483 90 Q N 0.758 120.591 119.800 0.055 0.000 2.286 90 Q HA 0.043 4.382 4.340 -0.001 0.000 0.267 90 Q C -1.802 174.235 176.000 0.061 0.000 1.028 90 Q CA -1.562 54.274 55.803 0.055 0.000 0.901 90 Q CB 0.523 29.297 28.738 0.060 0.000 1.183 90 Q HN 0.050 nan 8.270 nan 0.000 0.392 91 P HA -0.182 nan 4.420 nan 0.000 0.218 91 P C 0.547 177.877 177.300 0.051 0.000 1.148 91 P CA 1.295 64.421 63.100 0.044 0.000 0.822 91 P CB 0.439 32.157 31.700 0.031 0.000 0.784 92 Q N -1.132 118.695 119.800 0.046 0.000 2.364 92 Q HA -0.060 4.279 4.340 -0.001 0.000 0.207 92 Q C 1.335 177.363 176.000 0.046 0.000 0.970 92 Q CA 0.950 56.776 55.803 0.038 0.000 0.888 92 Q CB -0.803 27.952 28.738 0.028 0.000 0.951 92 Q HN 0.288 nan 8.270 nan 0.000 0.469 93 N N -0.619 118.128 118.700 0.079 0.000 2.336 93 N HA 0.030 4.769 4.740 -0.001 0.000 0.189 93 N C 1.120 176.743 175.510 0.189 0.000 1.113 93 N CA 0.145 53.258 53.050 0.104 0.000 0.858 93 N CB 0.373 38.963 38.487 0.172 0.000 0.970 93 N HN 0.071 nan 8.380 nan 0.000 0.471 94 V N 0.364 120.379 119.914 0.168 0.000 2.287 94 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 94 V C 2.459 178.646 176.094 0.155 0.000 1.053 94 V CA 1.912 64.327 62.300 0.192 0.000 1.027 94 V CB -0.674 31.209 31.823 0.101 0.000 0.646 94 V HN 0.350 nan 8.190 nan 0.000 0.447 95 S N -0.588 115.156 115.700 0.072 0.000 2.370 95 S HA -0.254 4.215 4.470 -0.001 0.000 0.226 95 S C 2.067 176.661 174.600 -0.011 0.000 1.033 95 S CA 2.416 60.635 58.200 0.031 0.000 1.011 95 S CB -0.462 62.745 63.200 0.012 0.000 0.852 95 S HN 0.701 nan 8.310 nan 0.000 0.457 96 T N 1.053 115.559 114.554 -0.079 0.000 2.759 96 T HA -0.058 4.292 4.350 -0.001 0.000 0.269 96 T C 1.237 175.757 174.700 -0.299 0.000 1.042 96 T CA 1.700 63.660 62.100 -0.232 0.000 1.140 96 T CB -0.490 68.149 68.868 -0.383 0.000 0.864 96 T HN 0.541 nan 8.240 nan 0.000 0.455 97 F N 0.758 120.691 119.950 -0.029 0.000 2.456 97 F HA 0.234 4.761 4.527 -0.001 0.000 0.298 97 F C 1.954 177.724 175.800 -0.050 0.000 1.104 97 F CA 0.346 58.321 58.000 -0.043 0.000 1.435 97 F CB -0.217 38.764 39.000 -0.032 0.000 1.078 97 F HN 0.217 nan 8.300 nan 0.000 0.546 98 I N -3.990 116.646 120.570 0.111 0.000 4.154 98 I HA 0.306 4.475 4.170 -0.001 0.000 0.334 98 I C -0.334 175.795 176.117 0.021 0.000 1.371 98 I CA 0.043 61.378 61.300 0.059 0.000 1.110 98 I CB 0.164 38.202 38.000 0.064 0.000 1.085 98 I HN -0.178 nan 8.210 nan 0.000 0.398 99 N N 3.361 122.061 118.700 0.000 0.000 2.804 99 N HA 0.287 5.027 4.740 -0.001 0.000 0.251 99 N C -1.018 174.474 175.510 -0.030 0.000 1.250 99 N CA -0.223 52.824 53.050 -0.005 0.000 0.820 99 N CB 1.304 39.790 38.487 -0.001 0.000 1.156 99 N HN 0.286 nan 8.380 nan 0.000 0.512 100 R N 1.999 122.475 120.500 -0.041 0.000 2.267 100 R HA 0.313 4.653 4.340 -0.001 0.000 0.319 100 R C -2.250 174.061 176.300 0.018 0.000 1.067 100 R CA -0.919 55.129 56.100 -0.087 0.000 0.936 100 R CB 0.453 30.605 30.300 -0.246 0.000 1.006 100 R HN 0.159 nan 8.270 nan 0.000 0.452 101 P HA 0.193 nan 4.420 nan 0.000 0.284 101 P C -1.324 176.055 177.300 0.133 0.000 1.258 101 P CA -0.620 62.503 63.100 0.039 0.000 0.824 101 P CB 1.485 33.151 31.700 -0.057 0.000 1.038 102 A N 2.800 125.685 122.820 0.109 0.000 2.785 102 A HA 0.106 4.425 4.320 -0.001 0.000 0.294 102 A C 1.384 178.937 177.584 -0.051 0.000 1.597 102 A CA -0.204 51.866 52.037 0.054 0.000 1.283 102 A CB -1.333 17.693 19.000 0.044 0.000 1.088 102 A HN 0.648 nan 8.150 nan 0.000 0.568 103 L N 2.249 123.399 121.223 -0.121 0.000 2.127 103 L HA -0.177 4.163 4.340 -0.001 0.000 0.211 103 L C 2.640 179.345 176.870 -0.276 0.000 1.089 103 L CA 1.447 56.113 54.840 -0.290 0.000 0.757 103 L CB -0.241 41.608 42.059 -0.350 0.000 0.899 103 L HN 0.768 nan 8.230 nan 0.000 0.434 104 G N 0.345 109.000 108.800 -0.240 0.000 2.471 104 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.219 104 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.219 104 G C 1.430 176.384 174.900 0.090 0.000 1.125 104 G CA 1.004 46.026 45.100 -0.130 0.000 0.775 104 G HN 0.616 nan 8.290 nan 0.000 0.548 105 I N -4.280 116.342 120.570 0.087 0.000 4.124 105 I HA 0.456 4.625 4.170 -0.001 0.000 0.311 105 I C 0.598 176.735 176.117 0.034 0.000 1.259 105 I CA 0.131 61.500 61.300 0.114 0.000 1.315 105 I CB 0.538 38.658 38.000 0.199 0.000 1.223 105 I HN -0.133 nan 8.210 nan 0.000 0.441 106 L N 4.324 125.538 121.223 -0.015 0.000 2.625 106 L HA 0.508 4.848 4.340 -0.001 0.000 0.255 106 L C -2.527 174.287 176.870 -0.093 0.000 1.493 106 L CA -1.451 53.371 54.840 -0.029 0.000 0.796 106 L CB 0.780 42.840 42.059 0.001 0.000 1.064 106 L HN 0.008 nan 8.230 nan 0.000 0.516 107 P HA 0.231 nan 4.420 nan 0.000 0.272 107 P C -2.460 174.765 177.300 -0.124 0.000 1.223 107 P CA -0.909 62.020 63.100 -0.285 0.000 0.784 107 P CB -0.106 31.359 31.700 -0.392 0.000 0.923 108 P HA 0.130 nan 4.420 nan 0.000 0.274 108 P C 0.900 178.234 177.300 0.056 0.000 1.237 108 P CA -0.220 62.876 63.100 -0.006 0.000 0.793 108 P CB 1.100 32.802 31.700 0.004 0.000 0.977 109 E N 1.946 122.171 120.200 0.041 0.000 2.114 109 E HA -0.259 4.090 4.350 -0.001 0.000 0.199 109 E C 1.292 177.932 176.600 0.065 0.000 1.008 109 E CA 1.889 58.317 56.400 0.047 0.000 0.810 109 E CB -0.283 29.434 29.700 0.027 0.000 0.739 109 E HN 0.650 nan 8.360 nan 0.000 0.456 110 N N -0.852 117.887 118.700 0.066 0.000 2.370 110 N HA -0.074 4.665 4.740 -0.001 0.000 0.198 110 N C 1.429 176.989 175.510 0.084 0.000 1.156 110 N CA -0.190 52.891 53.050 0.052 0.000 0.839 110 N CB -0.099 38.402 38.487 0.022 0.000 0.989 110 N HN 0.079 nan 8.380 nan 0.000 0.468 111 F N 1.487 121.418 119.950 -0.032 0.000 2.134 111 F HA -0.112 4.415 4.527 -0.001 0.000 0.299 111 F C 1.826 177.604 175.800 -0.036 0.000 1.097 111 F CA 1.096 59.074 58.000 -0.037 0.000 1.264 111 F CB -0.222 38.759 39.000 -0.033 0.000 1.001 111 F HN -0.080 nan 8.300 nan 0.000 0.479 112 V N 0.256 120.116 119.914 -0.090 0.000 2.379 112 V HA -0.164 3.956 4.120 -0.001 0.000 0.245 112 V C 2.712 178.709 176.094 -0.161 0.000 1.044 112 V CA 2.110 64.297 62.300 -0.188 0.000 1.036 112 V CB -1.680 30.107 31.823 -0.060 0.000 0.664 112 V HN 0.441 nan 8.190 nan 0.000 0.453 113 E N 0.823 120.970 120.200 -0.088 0.000 2.077 113 E HA -0.326 4.023 4.350 -0.001 0.000 0.193 113 E C 2.092 178.635 176.600 -0.095 0.000 0.989 113 E CA 1.876 58.231 56.400 -0.074 0.000 0.800 113 E CB -0.536 29.139 29.700 -0.040 0.000 0.746 113 E HN 0.566 nan 8.360 nan 0.000 0.452 114 K N -0.085 120.251 120.400 -0.106 0.000 2.148 114 K HA 0.127 4.447 4.320 -0.001 0.000 0.204 114 K C 2.022 178.530 176.600 -0.153 0.000 1.050 114 K CA 0.829 57.051 56.287 -0.107 0.000 0.942 114 K CB -0.385 32.069 32.500 -0.078 0.000 0.724 114 K HN 0.427 nan 8.250 nan 0.000 0.446 115 L N 0.027 121.102 121.223 -0.247 0.000 2.093 115 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 115 L C 2.357 179.131 176.870 -0.159 0.000 1.085 115 L CA 1.188 55.874 54.840 -0.257 0.000 0.755 115 L CB -0.270 41.544 42.059 -0.409 0.000 0.904 115 L HN 0.160 nan 8.230 nan 0.000 0.435 116 R N 0.075 120.493 120.500 -0.138 0.000 2.115 116 R HA -0.141 4.198 4.340 -0.001 0.000 0.230 116 R C 1.940 178.187 176.300 -0.088 0.000 1.111 116 R CA 1.165 57.206 56.100 -0.097 0.000 0.976 116 R CB -0.158 30.092 30.300 -0.082 0.000 0.870 116 R HN 0.501 nan 8.270 nan 0.000 0.445 117 E N -0.010 120.138 120.200 -0.088 0.000 2.285 117 E HA -0.073 4.277 4.350 -0.001 0.000 0.194 117 E C 1.485 178.033 176.600 -0.086 0.000 0.997 117 E CA 1.122 57.475 56.400 -0.078 0.000 0.845 117 E CB 0.301 29.962 29.700 -0.066 0.000 0.782 117 E HN 0.311 nan 8.360 nan 0.000 0.491 118 S N 0.200 115.845 115.700 -0.092 0.000 3.152 118 S HA 0.104 4.573 4.470 -0.001 0.000 0.173 118 S C 1.774 176.320 174.600 -0.090 0.000 0.751 118 S CA -0.447 57.700 58.200 -0.088 0.000 0.933 118 S CB -0.519 62.638 63.200 -0.072 0.000 0.877 118 S HN 0.044 nan 8.310 nan 0.000 0.766 119 L N 1.342 122.529 121.223 -0.060 0.000 2.083 119 L HA 0.084 4.423 4.340 -0.001 0.000 0.209 119 L C 2.543 179.500 176.870 0.144 0.000 1.083 119 L CA 0.992 55.852 54.840 0.032 0.000 0.752 119 L CB -0.663 41.370 42.059 -0.043 0.000 0.899 119 L HN 0.382 nan 8.230 nan 0.000 0.433 120 L N -0.660 120.590 121.223 0.045 0.000 2.291 120 L HA -0.121 4.218 4.340 -0.001 0.000 0.214 120 L C 2.694 179.541 176.870 -0.040 0.000 1.120 120 L CA 1.102 55.973 54.840 0.052 0.000 0.799 120 L CB -0.553 41.498 42.059 -0.014 0.000 0.925 120 L HN 0.371 nan 8.230 nan 0.000 0.446 121 S N -0.176 115.469 115.700 -0.092 0.000 2.515 121 S HA -0.056 4.414 4.470 -0.001 0.000 0.231 121 S C 1.259 175.724 174.600 -0.226 0.000 0.987 121 S CA 0.681 58.794 58.200 -0.144 0.000 0.936 121 S CB -0.229 62.882 63.200 -0.148 0.000 0.766 121 S HN 0.314 nan 8.310 nan 0.000 0.528 122 V N -1.830 117.925 119.914 -0.266 0.000 2.988 122 V HA 0.767 4.886 4.120 -0.001 0.000 0.356 122 V C 0.458 176.408 176.094 -0.240 0.000 1.380 122 V CA -0.768 61.291 62.300 -0.401 0.000 1.184 122 V CB -0.813 30.423 31.823 -0.978 0.000 1.204 122 V HN 0.505 nan 8.190 nan 0.000 0.530 123 A N 2.149 124.783 122.820 -0.311 0.000 2.511 123 A HA 0.615 4.935 4.320 -0.001 0.000 0.242 123 A C -1.830 175.467 177.584 -0.478 0.000 1.069 123 A CA -0.568 51.079 52.037 -0.649 0.000 0.763 123 A CB -0.405 18.413 19.000 -0.303 0.000 1.001 123 A HN 0.530 nan 8.150 nan 0.000 0.498 124 P HA 0.170 nan 4.420 nan 0.000 0.272 124 P C -0.443 176.743 177.300 -0.190 0.000 1.230 124 P CA -0.360 62.553 63.100 -0.313 0.000 0.788 124 P CB 0.415 31.868 31.700 -0.413 0.000 0.949 125 K N 0.817 121.175 120.400 -0.069 0.000 2.448 125 K HA 0.254 4.573 4.320 -0.001 0.000 0.278 125 K C 1.241 177.804 176.600 -0.062 0.000 1.009 125 K CA 0.959 57.216 56.287 -0.051 0.000 0.995 125 K CB -0.453 32.045 32.500 -0.005 0.000 0.917 125 K HN 0.847 nan 8.250 nan 0.000 0.481 126 G N 2.470 111.242 108.800 -0.047 0.000 2.162 126 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.260 126 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.260 126 G C 0.037 174.915 174.900 -0.036 0.000 0.976 126 G CA 0.138 45.220 45.100 -0.029 0.000 0.655 126 G HN 0.546 nan 8.290 nan 0.000 0.533 127 M N 1.755 121.317 119.600 -0.065 0.000 2.027 127 M HA 0.354 4.833 4.480 -0.001 0.000 0.329 127 M C 1.342 177.624 176.300 -0.030 0.000 0.971 127 M CA 0.213 55.483 55.300 -0.049 0.000 0.933 127 M CB 1.654 34.221 32.600 -0.055 0.000 1.392 127 M HN 0.321 nan 8.290 nan 0.000 0.394 128 S N 0.808 116.483 115.700 -0.041 0.000 2.528 128 S HA 0.122 4.591 4.470 -0.001 0.000 0.219 128 S C 0.606 175.161 174.600 -0.076 0.000 0.985 128 S CA 0.036 58.212 58.200 -0.039 0.000 0.914 128 S CB 0.258 63.438 63.200 -0.034 0.000 0.776 128 S HN 0.613 nan 8.310 nan 0.000 0.526 129 Q N 0.794 120.477 119.800 -0.194 0.000 2.222 129 Q HA 0.687 5.026 4.340 -0.001 0.000 0.252 129 Q C -1.178 174.597 176.000 -0.374 0.000 0.926 129 Q CA -0.594 54.971 55.803 -0.397 0.000 0.899 129 Q CB 1.923 30.141 28.738 -0.867 0.000 1.250 129 Q HN 0.408 nan 8.270 nan 0.000 0.441 130 L N 2.052 123.093 121.223 -0.304 0.000 2.493 130 L HA 0.560 4.899 4.340 -0.001 0.000 0.265 130 L C -1.757 174.939 176.870 -0.290 0.000 0.954 130 L CA -0.157 54.483 54.840 -0.333 0.000 0.844 130 L CB 1.740 43.581 42.059 -0.363 0.000 1.302 130 L HN 0.615 nan 8.230 nan 0.000 0.405 131 I N 3.162 123.446 120.570 -0.476 0.000 2.545 131 I HA 0.525 4.695 4.170 -0.001 0.000 0.292 131 I C -0.109 175.737 176.117 -0.452 0.000 1.040 131 I CA -0.572 60.448 61.300 -0.468 0.000 1.068 131 I CB 2.541 40.146 38.000 -0.659 0.000 1.251 131 I HN 0.734 nan 8.210 nan 0.000 0.424 132 T N 3.946 118.375 114.554 -0.208 0.000 2.928 132 T HA 0.724 5.073 4.350 -0.001 0.000 0.284 132 T C -0.294 174.343 174.700 -0.106 0.000 1.008 132 T CA -0.750 61.279 62.100 -0.119 0.000 1.057 132 T CB 1.700 70.584 68.868 0.027 0.000 1.018 132 T HN 0.317 nan 8.240 nan 0.000 0.493 133 M N 0.632 120.175 119.600 -0.094 0.000 2.618 133 M HA 0.555 5.035 4.480 -0.001 0.000 0.281 133 M C 0.805 177.089 176.300 -0.025 0.000 1.267 133 M CA -1.002 54.266 55.300 -0.052 0.000 0.845 133 M CB 1.656 34.221 32.600 -0.059 0.000 1.732 133 M HN 0.828 nan 8.290 nan 0.000 0.461 134 A N 0.383 123.208 122.820 0.008 0.000 2.132 134 A HA 0.267 4.586 4.320 -0.001 0.000 0.213 134 A C 0.721 178.310 177.584 0.009 0.000 1.154 134 A CA 0.969 53.021 52.037 0.024 0.000 0.753 134 A CB -0.134 18.906 19.000 0.067 0.000 0.826 134 A HN 0.946 nan 8.150 nan 0.000 0.469 135 C N -5.488 113.806 119.300 -0.010 0.000 3.332 135 C HA 0.751 5.210 4.460 -0.001 0.000 0.329 135 C C 1.671 176.636 174.990 -0.042 0.000 1.434 135 C CA -0.026 58.985 59.018 -0.013 0.000 1.314 135 C CB 1.002 28.743 27.740 0.002 0.000 1.664 135 C HN 0.436 nan 8.230 nan 0.000 0.457 136 G N 0.991 109.778 108.800 -0.022 0.000 2.408 136 G HA2 0.001 3.961 3.960 -0.001 0.000 0.217 136 G HA3 0.001 3.961 3.960 -0.001 0.000 0.217 136 G C 1.421 176.284 174.900 -0.061 0.000 1.150 136 G CA 1.411 46.493 45.100 -0.031 0.000 0.776 136 G HN 0.876 nan 8.290 nan 0.000 0.542 137 S N 0.111 115.786 115.700 -0.041 0.000 2.355 137 S HA -0.178 4.291 4.470 -0.001 0.000 0.222 137 S C 2.588 177.124 174.600 -0.107 0.000 1.031 137 S CA 1.465 59.624 58.200 -0.067 0.000 0.993 137 S CB -0.540 62.643 63.200 -0.028 0.000 0.859 137 S HN 0.774 nan 8.310 nan 0.000 0.453 138 C N 1.348 120.606 119.300 -0.071 0.000 2.448 138 C HA 0.123 4.583 4.460 -0.001 0.000 0.280 138 C C 2.661 177.588 174.990 -0.105 0.000 1.398 138 C CA 0.046 59.024 59.018 -0.067 0.000 1.774 138 C CB -1.569 26.161 27.740 -0.017 0.000 1.888 138 C HN 0.387 nan 8.230 nan 0.000 0.519 139 S N 2.416 118.038 115.700 -0.130 0.000 2.356 139 S HA -0.147 4.323 4.470 -0.001 0.000 0.223 139 S C 1.776 176.147 174.600 -0.381 0.000 1.032 139 S CA 1.803 59.908 58.200 -0.158 0.000 1.005 139 S CB -0.433 62.646 63.200 -0.202 0.000 0.867 139 S HN 0.683 nan 8.310 nan 0.000 0.449 140 N N 1.157 119.595 118.700 -0.436 0.000 2.142 140 N HA -0.035 4.705 4.740 -0.001 0.000 0.186 140 N C 1.701 176.537 175.510 -1.122 0.000 1.023 140 N CA 0.796 53.379 53.050 -0.778 0.000 0.852 140 N CB -0.367 37.728 38.487 -0.654 0.000 0.998 140 N HN 0.395 nan 8.380 nan 0.000 0.424 141 E N 1.059 120.875 120.200 -0.640 0.000 2.058 141 E HA -0.106 4.244 4.350 -0.001 0.000 0.194 141 E C 1.369 177.804 176.600 -0.275 0.000 0.997 141 E CA 0.803 56.985 56.400 -0.363 0.000 0.801 141 E CB -0.329 29.314 29.700 -0.095 0.000 0.746 141 E HN 0.420 nan 8.360 nan 0.000 0.450 142 N N 0.467 118.998 118.700 -0.282 0.000 2.331 142 N HA -0.053 4.686 4.740 -0.001 0.000 0.180 142 N C 1.748 176.904 175.510 -0.590 0.000 1.019 142 N CA 0.852 53.770 53.050 -0.222 0.000 0.881 142 N CB 0.030 38.530 38.487 0.021 0.000 0.972 142 N HN 0.086 nan 8.380 nan 0.000 0.435 143 A N 1.064 123.280 122.820 -1.007 0.000 1.877 143 A HA -0.064 4.255 4.320 -0.001 0.000 0.216 143 A C 2.013 179.295 177.584 -0.503 0.000 1.186 143 A CA 0.889 52.263 52.037 -1.105 0.000 0.620 143 A CB -0.985 17.407 19.000 -1.014 0.000 0.822 143 A HN 0.241 nan 8.150 nan 0.000 0.443 144 F N 0.270 119.950 119.950 -0.450 0.000 2.095 144 F HA -0.241 4.285 4.527 -0.001 0.000 0.298 144 F C 2.528 178.028 175.800 -0.500 0.000 1.104 144 F CA 1.390 59.080 58.000 -0.517 0.000 1.232 144 F CB -0.180 38.644 39.000 -0.293 0.000 0.987 144 F HN 0.179 nan 8.300 nan 0.000 0.475 145 K N -0.087 120.348 120.400 0.058 0.000 2.057 145 K HA -0.118 4.201 4.320 -0.001 0.000 0.206 145 K C 1.905 178.601 176.600 0.160 0.000 1.050 145 K CA 1.804 58.226 56.287 0.226 0.000 0.935 145 K CB -0.633 31.990 32.500 0.206 0.000 0.715 145 K HN 0.175 nan 8.250 nan 0.000 0.439 146 T N 1.985 116.559 114.554 0.033 0.000 2.759 146 T HA -0.124 4.226 4.350 -0.001 0.000 0.269 146 T C 1.937 176.776 174.700 0.232 0.000 1.042 146 T CA 1.169 63.330 62.100 0.102 0.000 1.140 146 T CB -0.170 68.668 68.868 -0.050 0.000 0.864 146 T HN 0.147 nan 8.240 nan 0.000 0.455 147 I N -0.152 120.480 120.570 0.103 0.000 2.252 147 I HA -0.077 4.092 4.170 -0.001 0.000 0.245 147 I C 1.953 178.293 176.117 0.372 0.000 1.102 147 I CA 1.337 62.779 61.300 0.237 0.000 1.385 147 I CB -0.340 37.612 38.000 -0.080 0.000 1.064 147 I HN 0.229 nan 8.210 nan 0.000 0.414 148 F N 0.243 120.366 119.950 0.289 0.000 2.134 148 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 148 F C 2.591 178.577 175.800 0.310 0.000 1.097 148 F CA 1.058 59.220 58.000 0.270 0.000 1.264 148 F CB -0.375 38.710 39.000 0.141 0.000 1.001 148 F HN -0.035 nan 8.300 nan 0.000 0.479 149 M N -1.103 118.770 119.600 0.455 0.000 2.117 149 M HA -0.246 4.234 4.480 -0.001 0.000 0.262 149 M C 2.079 178.581 176.300 0.336 0.000 1.065 149 M CA 1.929 57.440 55.300 0.352 0.000 1.114 149 M CB -0.683 32.098 32.600 0.303 0.000 1.361 149 M HN 0.410 nan 8.290 nan 0.000 0.408 150 W N 0.060 121.450 121.300 0.151 0.000 2.338 150 W HA -0.278 4.381 4.660 -0.001 0.000 0.304 150 W C 2.139 178.677 176.519 0.031 0.000 1.212 150 W CA 1.664 59.006 57.345 -0.006 0.000 1.264 150 W CB -0.657 28.678 29.460 -0.209 0.000 1.142 150 W HN 0.209 nan 8.180 nan 0.000 0.512 151 Y N 1.045 121.348 120.300 0.005 0.000 2.184 151 Y HA -0.177 4.373 4.550 -0.001 0.000 0.290 151 Y C 2.657 178.484 175.900 -0.121 0.000 1.129 151 Y CA 2.100 60.039 58.100 -0.267 0.000 1.144 151 Y CB -0.463 38.042 38.460 0.075 0.000 0.995 151 Y HN -0.286 nan 8.280 nan 0.000 0.513 152 R N 0.158 120.854 120.500 0.326 0.000 2.091 152 R HA -0.167 4.172 4.340 -0.001 0.000 0.238 152 R C 2.600 178.926 176.300 0.044 0.000 1.136 152 R CA 1.513 57.756 56.100 0.239 0.000 0.959 152 R CB -1.504 28.936 30.300 0.234 0.000 0.856 152 R HN 0.517 nan 8.270 nan 0.000 0.437 153 S N 0.449 116.131 115.700 -0.030 0.000 2.402 153 S HA -0.075 4.395 4.470 -0.001 0.000 0.229 153 S C 1.808 176.283 174.600 -0.209 0.000 1.021 153 S CA 0.785 58.928 58.200 -0.096 0.000 0.974 153 S CB 0.007 63.168 63.200 -0.066 0.000 0.800 153 S HN 0.236 nan 8.310 nan 0.000 0.484 154 K N 1.128 121.293 120.400 -0.392 0.000 2.009 154 K HA -0.108 4.212 4.320 -0.001 0.000 0.210 154 K C 2.373 178.798 176.600 -0.291 0.000 1.049 154 K CA 1.854 57.869 56.287 -0.453 0.000 0.929 154 K CB -0.261 31.764 32.500 -0.792 0.000 0.714 154 K HN 0.592 nan 8.250 nan 0.000 0.440 155 E N 0.270 120.331 120.200 -0.231 0.000 2.106 155 E HA -0.197 4.153 4.350 -0.001 0.000 0.192 155 E C 1.876 178.443 176.600 -0.056 0.000 0.984 155 E CA 1.156 57.495 56.400 -0.101 0.000 0.806 155 E CB 0.000 29.718 29.700 0.030 0.000 0.750 155 E HN 0.343 nan 8.360 nan 0.000 0.458 156 R N 0.307 120.779 120.500 -0.047 0.000 2.317 156 R HA 0.217 4.556 4.340 -0.001 0.000 0.208 156 R C 1.237 177.499 176.300 -0.062 0.000 0.914 156 R CA 0.499 56.579 56.100 -0.034 0.000 1.060 156 R CB 0.045 30.341 30.300 -0.006 0.000 1.015 156 R HN 0.090 nan 8.270 nan 0.000 0.498 157 G N 0.651 109.398 108.800 -0.089 0.000 2.634 157 G HA2 -0.541 3.419 3.960 -0.001 0.000 0.309 157 G HA3 -0.541 3.419 3.960 -0.001 0.000 0.309 157 G C 0.940 175.788 174.900 -0.088 0.000 1.265 157 G CA 1.278 46.323 45.100 -0.091 0.000 0.998 157 G HN 0.555 nan 8.290 nan 0.000 0.551 158 Q N -0.624 119.131 119.800 -0.075 0.000 2.378 158 Q HA 0.488 4.828 4.340 -0.001 0.000 0.205 158 Q C 1.969 177.919 176.000 -0.084 0.000 0.954 158 Q CA 1.847 57.605 55.803 -0.075 0.000 0.901 158 Q CB -0.492 28.212 28.738 -0.058 0.000 0.981 158 Q HN 1.638 nan 8.270 nan 0.000 0.483 159 S N 0.884 116.540 115.700 -0.073 0.000 2.558 159 S HA 0.455 4.925 4.470 -0.001 0.000 0.287 159 S C 0.533 175.067 174.600 -0.110 0.000 1.321 159 S CA 0.005 58.165 58.200 -0.068 0.000 1.048 159 S CB 0.760 63.935 63.200 -0.041 0.000 0.844 159 S HN 0.883 nan 8.310 nan 0.000 0.512 160 A N 2.205 124.967 122.820 -0.097 0.000 2.271 160 A HA 0.619 4.939 4.320 -0.001 0.000 0.288 160 A C -0.079 177.461 177.584 -0.073 0.000 1.094 160 A CA -0.730 51.215 52.037 -0.153 0.000 0.828 160 A CB -0.055 18.896 19.000 -0.082 0.000 1.091 160 A HN 0.704 nan 8.150 nan 0.000 0.493 161 F N 1.596 121.549 119.950 0.004 0.000 2.623 161 F HA 0.054 4.580 4.527 -0.001 0.000 0.386 161 F C 1.645 177.444 175.800 -0.000 0.000 1.068 161 F CA 0.753 58.755 58.000 0.004 0.000 1.265 161 F CB 0.380 39.384 39.000 0.007 0.000 1.026 161 F HN 0.650 nan 8.300 nan 0.000 0.568 162 S N 2.612 118.427 115.700 0.193 0.000 2.617 162 S HA 0.421 4.890 4.470 -0.001 0.000 0.269 162 S C 1.027 175.675 174.600 0.081 0.000 1.292 162 S CA -0.494 57.766 58.200 0.100 0.000 1.010 162 S CB 1.718 64.957 63.200 0.065 0.000 0.944 162 S HN 0.753 nan 8.310 nan 0.000 0.536 163 K N 1.014 121.444 120.400 0.051 0.000 2.063 163 K HA -0.119 4.200 4.320 -0.001 0.000 0.208 163 K C 2.005 178.615 176.600 0.015 0.000 1.048 163 K CA 2.002 58.307 56.287 0.031 0.000 0.928 163 K CB -1.629 30.884 32.500 0.021 0.000 0.713 163 K HN 0.897 nan 8.250 nan 0.000 0.442 164 E N 0.175 120.384 120.200 0.015 0.000 2.085 164 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 164 E C 2.100 178.696 176.600 -0.007 0.000 0.994 164 E CA 1.562 57.964 56.400 0.003 0.000 0.801 164 E CB -0.032 29.671 29.700 0.005 0.000 0.743 164 E HN 0.766 nan 8.360 nan 0.000 0.453 165 E N 0.251 120.452 120.200 0.002 0.000 2.072 165 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 165 E C 2.273 178.836 176.600 -0.062 0.000 0.985 165 E CA 1.000 57.387 56.400 -0.022 0.000 0.801 165 E CB -0.041 29.668 29.700 0.014 0.000 0.750 165 E HN 0.298 nan 8.360 nan 0.000 0.452 166 L N 0.807 121.998 121.223 -0.052 0.000 2.083 166 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 166 L C 2.239 179.071 176.870 -0.064 0.000 1.083 166 L CA 1.225 56.014 54.840 -0.084 0.000 0.752 166 L CB -0.244 41.789 42.059 -0.043 0.000 0.899 166 L HN 0.133 nan 8.230 nan 0.000 0.433 167 E N -0.529 119.647 120.200 -0.039 0.000 2.051 167 E HA -0.154 4.196 4.350 -0.001 0.000 0.189 167 E C 2.193 178.770 176.600 -0.037 0.000 0.979 167 E CA 1.680 58.061 56.400 -0.033 0.000 0.803 167 E CB -0.040 29.648 29.700 -0.021 0.000 0.761 167 E HN 0.542 nan 8.360 nan 0.000 0.451 168 T N -0.475 114.056 114.554 -0.038 0.000 2.867 168 T HA -0.166 4.183 4.350 -0.001 0.000 0.268 168 T C 2.416 177.088 174.700 -0.048 0.000 1.057 168 T CA 1.109 63.187 62.100 -0.038 0.000 1.136 168 T CB -0.997 67.850 68.868 -0.035 0.000 0.874 168 T HN 0.435 nan 8.240 nan 0.000 0.466 169 C N 1.327 120.588 119.300 -0.064 0.000 2.432 169 C HA 0.185 4.645 4.460 -0.001 0.000 0.280 169 C C 2.613 177.568 174.990 -0.058 0.000 1.353 169 C CA -0.072 58.903 59.018 -0.073 0.000 1.766 169 C CB -1.493 26.182 27.740 -0.108 0.000 1.924 169 C HN 0.344 nan 8.230 nan 0.000 0.509 170 M N 2.108 121.675 119.600 -0.054 0.000 2.296 170 M HA 0.145 4.624 4.480 -0.001 0.000 0.265 170 M C 1.741 178.021 176.300 -0.032 0.000 1.064 170 M CA 1.361 56.635 55.300 -0.044 0.000 1.109 170 M CB -0.791 31.784 32.600 -0.043 0.000 1.396 170 M HN 0.739 nan 8.290 nan 0.000 0.430 171 I N -2.649 117.903 120.570 -0.031 0.000 3.805 171 I HA 0.277 4.447 4.170 -0.001 0.000 0.337 171 I C -0.593 175.511 176.117 -0.022 0.000 1.539 171 I CA -0.285 61.001 61.300 -0.024 0.000 1.176 171 I CB -0.423 37.564 38.000 -0.022 0.000 1.248 171 I HN 0.087 nan 8.210 nan 0.000 0.437 172 N N 1.359 120.045 118.700 -0.023 0.000 2.741 172 N HA -0.218 4.521 4.740 -0.001 0.000 0.250 172 N C -0.434 175.064 175.510 -0.019 0.000 1.115 172 N CA 1.069 54.109 53.050 -0.016 0.000 0.724 172 N CB -1.401 37.081 38.487 -0.007 0.000 1.090 172 N HN 0.744 nan 8.380 nan 0.000 0.558 173 Q N -0.686 119.096 119.800 -0.029 0.000 2.348 173 Q HA 0.776 5.116 4.340 -0.001 0.000 0.271 173 Q C -0.136 175.838 176.000 -0.044 0.000 1.067 173 Q CA -0.680 55.105 55.803 -0.029 0.000 0.839 173 Q CB 1.803 30.526 28.738 -0.025 0.000 1.354 173 Q HN 0.313 nan 8.270 nan 0.000 0.447 174 A N 2.184 124.978 122.820 -0.044 0.000 2.425 174 A HA 0.261 4.581 4.320 -0.001 0.000 0.242 174 A C -1.693 175.866 177.584 -0.042 0.000 1.077 174 A CA -0.872 51.131 52.037 -0.057 0.000 0.781 174 A CB -0.158 18.812 19.000 -0.050 0.000 1.020 174 A HN 0.603 nan 8.150 nan 0.000 0.494 175 P HA 0.053 nan 4.420 nan 0.000 0.245 175 P C 1.393 178.644 177.300 -0.082 0.000 1.203 175 P CA 1.008 64.072 63.100 -0.061 0.000 0.792 175 P CB 0.063 31.745 31.700 -0.030 0.000 0.997 176 G N 0.515 109.273 108.800 -0.070 0.000 2.469 176 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 176 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 176 G C 0.387 175.219 174.900 -0.113 0.000 1.150 176 G CA 0.556 45.605 45.100 -0.086 0.000 0.763 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 C N 2.885 122.117 119.300 -0.114 0.000 2.225 177 C HA 0.465 4.924 4.460 -0.001 0.000 0.323 177 C C -1.869 172.999 174.990 -0.202 0.000 1.164 177 C CA -1.807 57.126 59.018 -0.140 0.000 1.565 177 C CB 0.874 28.563 27.740 -0.085 0.000 2.124 177 C HN 0.300 nan 8.230 nan 0.000 0.461 178 P HA 0.133 nan 4.420 nan 0.000 0.274 178 P C -0.264 176.787 177.300 -0.414 0.000 1.237 178 P CA 0.165 62.947 63.100 -0.530 0.000 0.793 178 P CB 0.923 31.966 31.700 -1.095 0.000 0.977 179 D N 0.319 120.559 120.400 -0.266 0.000 2.690 179 D HA 0.111 4.751 4.640 -0.001 0.000 0.236 179 D C -0.082 176.290 176.300 0.121 0.000 1.218 179 D CA -0.377 53.608 54.000 -0.025 0.000 0.829 179 D CB -0.985 39.850 40.800 0.058 0.000 1.009 179 D HN 0.290 nan 8.370 nan 0.000 0.482 180 Y N -0.032 120.143 120.300 -0.209 0.000 2.299 180 Y HA 0.228 4.778 4.550 -0.001 0.000 0.335 180 Y C 1.417 177.082 175.900 -0.390 0.000 1.287 180 Y CA -0.904 57.037 58.100 -0.266 0.000 1.424 180 Y CB 0.997 39.295 38.460 -0.270 0.000 1.326 180 Y HN -0.015 nan 8.280 nan 0.000 0.567 181 S N 1.476 116.987 115.700 -0.314 0.000 2.634 181 S HA 0.650 5.120 4.470 -0.001 0.000 0.296 181 S C -1.318 172.705 174.600 -0.962 0.000 1.104 181 S CA -0.937 56.632 58.200 -1.053 0.000 0.920 181 S CB 2.032 64.867 63.200 -0.609 0.000 1.111 181 S HN 0.395 nan 8.310 nan 0.000 0.493 182 I N 2.043 121.723 120.570 -1.484 0.000 2.406 182 I HA 0.393 4.562 4.170 -0.001 0.000 0.290 182 I C -0.383 175.460 176.117 -0.457 0.000 0.999 182 I CA -0.744 60.026 61.300 -0.884 0.000 1.124 182 I CB 1.433 38.745 38.000 -1.147 0.000 1.289 182 I HN 0.785 nan 8.210 nan 0.000 0.441 183 L N 7.149 128.186 121.223 -0.311 0.000 2.331 183 L HA 0.396 4.736 4.340 -0.001 0.000 0.278 183 L C 0.433 177.239 176.870 -0.107 0.000 1.106 183 L CA 0.319 55.025 54.840 -0.223 0.000 0.824 183 L CB 0.792 42.697 42.059 -0.257 0.000 1.142 183 L HN 0.871 nan 8.230 nan 0.000 0.443 184 S N 3.049 118.722 115.700 -0.045 0.000 2.740 184 S HA 0.674 5.144 4.470 -0.001 0.000 0.300 184 S C -0.865 173.707 174.600 -0.045 0.000 1.147 184 S CA -0.800 57.492 58.200 0.155 0.000 0.871 184 S CB 1.425 64.882 63.200 0.428 0.000 1.173 184 S HN 0.388 nan 8.310 nan 0.000 0.510 185 F N 0.625 120.726 119.950 0.251 0.000 2.522 185 F HA 0.611 5.138 4.527 -0.001 0.000 0.324 185 F C 0.329 176.164 175.800 0.057 0.000 1.077 185 F CA -1.077 57.027 58.000 0.173 0.000 0.944 185 F CB 1.852 41.055 39.000 0.338 0.000 1.175 185 F HN 0.602 nan 8.300 nan 0.000 0.468 186 M N 2.208 121.887 119.600 0.132 0.000 2.250 186 M HA 0.352 4.831 4.480 -0.001 0.000 0.337 186 M C 1.015 177.439 176.300 0.207 0.000 1.161 186 M CA 0.865 56.215 55.300 0.083 0.000 1.088 186 M CB -0.310 32.334 32.600 0.074 0.000 1.639 186 M HN 0.856 nan 8.290 nan 0.000 0.447 187 G N 2.739 111.649 108.800 0.184 0.000 2.179 187 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.260 187 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.260 187 G C 0.236 175.197 174.900 0.101 0.000 0.977 187 G CA 0.409 45.586 45.100 0.127 0.000 0.641 187 G HN 1.338 nan 8.290 nan 0.000 0.533 188 A N -0.516 122.408 122.820 0.172 0.000 2.351 188 A HA 0.764 5.084 4.320 -0.001 0.000 0.257 188 A C -0.527 177.017 177.584 -0.066 0.000 1.087 188 A CA 0.140 52.208 52.037 0.051 0.000 0.798 188 A CB 0.761 19.896 19.000 0.224 0.000 1.033 188 A HN 1.381 nan 8.150 nan 0.000 0.488 189 F N 1.187 120.852 119.950 -0.475 0.000 2.585 189 F HA 0.525 5.052 4.527 -0.001 0.000 0.319 189 F C -0.019 175.425 175.800 -0.594 0.000 1.165 189 F CA -0.516 57.235 58.000 -0.414 0.000 0.949 189 F CB 1.601 40.499 39.000 -0.169 0.000 1.218 189 F HN 0.643 nan 8.300 nan 0.000 0.453 190 H N 3.668 122.567 119.070 -0.285 0.000 3.230 190 H HA 0.511 5.066 4.556 -0.001 0.000 0.259 190 H C 0.723 175.918 175.328 -0.222 0.000 1.195 190 H CA 0.102 56.088 56.048 -0.102 0.000 1.112 190 H CB 0.710 30.488 29.762 0.026 0.000 1.638 190 H HN 0.836 nan 8.280 nan 0.000 0.624 191 G N 0.922 109.384 108.800 -0.563 0.000 2.408 191 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.682 191 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.682 191 G C -0.183 174.483 174.900 -0.390 0.000 1.303 191 G CA -0.796 44.118 45.100 -0.310 0.000 0.966 191 G HN 0.221 nan 8.290 nan 0.000 0.560 192 R N -0.546 119.861 120.500 -0.156 0.000 2.541 192 R HA 0.258 4.598 4.340 -0.001 0.000 0.332 192 R C 1.111 177.388 176.300 -0.038 0.000 0.951 192 R CA 0.474 56.511 56.100 -0.106 0.000 1.136 192 R CB 0.850 31.130 30.300 -0.035 0.000 1.449 192 R HN 0.861 nan 8.270 nan 0.000 0.531 193 T N -1.403 113.140 114.554 -0.018 0.000 2.856 193 T HA 0.113 4.462 4.350 -0.001 0.000 0.306 193 T C 1.445 176.165 174.700 0.034 0.000 1.062 193 T CA -0.299 61.809 62.100 0.013 0.000 1.083 193 T CB 1.011 69.893 68.868 0.024 0.000 0.984 193 T HN -0.039 nan 8.240 nan 0.000 0.542 194 M N 1.368 120.998 119.600 0.049 0.000 2.279 194 M HA 0.005 4.485 4.480 -0.001 0.000 0.264 194 M C 2.524 178.910 176.300 0.144 0.000 1.062 194 M CA 1.644 56.971 55.300 0.046 0.000 1.099 194 M CB -0.813 31.793 32.600 0.009 0.000 1.394 194 M HN 0.976 nan 8.290 nan 0.000 0.426 195 G N -0.144 108.804 108.800 0.247 0.000 2.424 195 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.214 195 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.214 195 G C 1.492 176.651 174.900 0.432 0.000 1.202 195 G CA 0.802 46.142 45.100 0.400 0.000 0.793 195 G HN 0.461 nan 8.290 nan 0.000 0.534 196 C N 0.060 119.567 119.300 0.344 0.000 2.401 196 C HA -0.067 4.393 4.460 -0.001 0.000 0.276 196 C C 2.741 177.792 174.990 0.103 0.000 1.233 196 C CA 0.819 59.996 59.018 0.264 0.000 1.753 196 C CB -1.061 26.699 27.740 0.034 0.000 2.029 196 C HN 0.419 nan 8.230 nan 0.000 0.478 197 L N 1.677 122.902 121.223 0.004 0.000 2.083 197 L HA -0.026 4.314 4.340 -0.001 0.000 0.209 197 L C 2.595 179.390 176.870 -0.125 0.000 1.083 197 L CA 2.095 56.871 54.840 -0.107 0.000 0.752 197 L CB -0.883 41.124 42.059 -0.086 0.000 0.899 197 L HN 0.280 nan 8.230 nan 0.000 0.433 198 A N -1.318 121.462 122.820 -0.067 0.000 1.978 198 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 198 A C 2.222 179.756 177.584 -0.083 0.000 1.170 198 A CA 2.212 54.167 52.037 -0.135 0.000 0.636 198 A CB -1.213 17.607 19.000 -0.299 0.000 0.810 198 A HN 0.602 nan 8.150 nan 0.000 0.448 199 T N -3.960 110.643 114.554 0.082 0.000 3.129 199 T HA 0.157 4.507 4.350 -0.001 0.000 0.251 199 T C 0.578 175.313 174.700 0.059 0.000 1.117 199 T CA 0.699 62.938 62.100 0.232 0.000 1.034 199 T CB -0.352 68.792 68.868 0.461 0.000 0.968 199 T HN 0.167 nan 8.240 nan 0.000 0.526 200 T N 2.875 117.256 114.554 -0.287 0.000 2.845 200 T HA 0.341 4.691 4.350 -0.001 0.000 0.288 200 T C -0.442 173.942 174.700 -0.526 0.000 0.980 200 T CA -0.500 61.376 62.100 -0.374 0.000 1.071 200 T CB 0.421 69.009 68.868 -0.467 0.000 0.941 200 T HN 0.404 nan 8.240 nan 0.000 0.487 201 H N 1.725 120.821 119.070 0.045 0.000 2.823 201 H HA 0.208 4.763 4.556 -0.001 0.000 0.222 201 H C 0.778 176.175 175.328 0.114 0.000 1.414 201 H CA -0.256 55.843 56.048 0.085 0.000 1.289 201 H CB 0.345 30.165 29.762 0.096 0.000 1.970 201 H HN 0.648 nan 8.280 nan 0.000 0.517 202 S N 0.068 115.918 115.700 0.249 0.000 2.433 202 S HA 0.161 4.631 4.470 -0.001 0.000 0.216 202 S C 0.733 175.432 174.600 0.165 0.000 1.031 202 S CA 0.147 58.511 58.200 0.274 0.000 0.931 202 S CB 1.275 64.779 63.200 0.507 0.000 0.875 202 S HN 0.217 nan 8.310 nan 0.000 0.553 203 K N -0.589 119.861 120.400 0.083 0.000 2.523 203 K HA 0.671 4.991 4.320 -0.001 0.000 0.257 203 K C 0.299 176.772 176.600 -0.213 0.000 0.932 203 K CA -0.049 56.125 56.287 -0.188 0.000 0.812 203 K CB 1.893 34.051 32.500 -0.570 0.000 1.326 203 K HN 0.154 nan 8.250 nan 0.000 0.433 204 A N 2.902 125.643 122.820 -0.132 0.000 1.933 204 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 204 A C 1.679 179.211 177.584 -0.088 0.000 1.175 204 A CA 1.395 53.389 52.037 -0.071 0.000 0.628 204 A CB -0.373 18.605 19.000 -0.037 0.000 0.814 204 A HN 0.704 nan 8.150 nan 0.000 0.444 205 I N -0.054 120.420 120.570 -0.161 0.000 2.454 205 I HA -0.223 3.947 4.170 -0.001 0.000 0.254 205 I C 1.995 178.118 176.117 0.009 0.000 1.156 205 I CA 1.542 62.789 61.300 -0.088 0.000 1.433 205 I CB -0.510 37.439 38.000 -0.085 0.000 1.082 205 I HN 0.526 nan 8.210 nan 0.000 0.432 206 H N -0.538 118.562 119.070 0.050 0.000 2.462 206 H HA 0.005 4.561 4.556 -0.001 0.000 0.292 206 H C 1.619 176.956 175.328 0.015 0.000 1.049 206 H CA 0.733 56.816 56.048 0.059 0.000 1.334 206 H CB 0.164 29.998 29.762 0.120 0.000 1.404 206 H HN 0.185 nan 8.280 nan 0.000 0.544 207 K N 0.475 120.928 120.400 0.089 0.000 2.365 207 K HA 0.141 4.461 4.320 -0.001 0.000 0.195 207 K C 0.763 177.366 176.600 0.005 0.000 1.079 207 K CA -0.130 56.173 56.287 0.028 0.000 0.979 207 K CB 0.518 33.024 32.500 0.011 0.000 0.929 207 K HN 0.183 nan 8.250 nan 0.000 0.523 208 I N 2.712 123.286 120.570 0.007 0.000 2.692 208 I HA -0.145 4.025 4.170 -0.001 0.000 0.284 208 I C -0.315 175.799 176.117 -0.006 0.000 1.159 208 I CA 0.949 62.248 61.300 -0.003 0.000 1.423 208 I CB 0.339 38.337 38.000 -0.003 0.000 1.380 208 I HN 0.316 nan 8.210 nan 0.000 0.580 209 D N 4.307 124.699 120.400 -0.015 0.000 2.911 209 D HA -0.164 4.475 4.640 -0.001 0.000 0.199 209 D C -0.459 175.822 176.300 -0.031 0.000 1.041 209 D CA 0.931 54.919 54.000 -0.020 0.000 1.013 209 D CB -0.862 39.931 40.800 -0.012 0.000 1.093 209 D HN 0.201 nan 8.370 nan 0.000 0.431 210 I N 1.445 121.992 120.570 -0.038 0.000 2.336 210 I HA 0.311 4.480 4.170 -0.001 0.000 0.292 210 I C -1.670 174.393 176.117 -0.091 0.000 0.991 210 I CA -2.028 59.237 61.300 -0.057 0.000 1.227 210 I CB 0.357 38.328 38.000 -0.049 0.000 1.366 210 I HN -0.300 nan 8.210 nan 0.000 0.466 211 P HA 0.156 nan 4.420 nan 0.000 0.266 211 P C -0.086 177.066 177.300 -0.247 0.000 1.193 211 P CA 0.254 63.250 63.100 -0.175 0.000 0.770 211 P CB 0.884 32.471 31.700 -0.189 0.000 0.836 212 S N 0.990 116.510 115.700 -0.299 0.000 2.851 212 S HA 0.745 5.215 4.470 -0.001 0.000 0.317 212 S C -1.513 172.752 174.600 -0.558 0.000 1.144 212 S CA -0.667 57.319 58.200 -0.356 0.000 0.862 212 S CB 0.435 63.517 63.200 -0.197 0.000 1.259 212 S HN 0.210 nan 8.310 nan 0.000 0.564 213 F N 1.383 121.054 119.950 -0.464 0.000 2.532 213 F HA 0.341 4.868 4.527 -0.001 0.000 0.321 213 F C -0.159 175.380 175.800 -0.436 0.000 1.089 213 F CA -0.759 56.857 58.000 -0.640 0.000 0.926 213 F CB 1.504 39.542 39.000 -1.603 0.000 1.168 213 F HN 0.478 nan 8.300 nan 0.000 0.459 214 D N 3.495 123.932 120.400 0.061 0.000 2.508 214 D HA 0.064 4.704 4.640 -0.001 0.000 0.224 214 D C -1.251 175.356 176.300 0.512 0.000 1.171 214 D CA 0.095 54.235 54.000 0.232 0.000 1.006 214 D CB -0.078 40.864 40.800 0.237 0.000 1.073 214 D HN 0.151 nan 8.370 nan 0.000 0.513 215 W N 3.492 124.886 121.300 0.157 0.000 2.706 215 W HA 0.413 5.072 4.660 -0.001 0.000 0.346 215 W C -2.059 174.291 176.519 -0.282 0.000 1.071 215 W CA -3.031 54.281 57.345 -0.055 0.000 1.206 215 W CB 0.357 29.783 29.460 -0.057 0.000 1.413 215 W HN 0.181 nan 8.180 nan 0.000 0.542 216 P HA 0.277 nan 4.420 nan 0.000 0.271 216 P C -0.488 176.665 177.300 -0.246 0.000 1.216 216 P CA 0.267 62.999 63.100 -0.614 0.000 0.771 216 P CB 1.109 32.263 31.700 -0.910 0.000 0.864 217 I N 1.917 122.373 120.570 -0.189 0.000 2.439 217 I HA 0.466 4.636 4.170 -0.001 0.000 0.283 217 I C 0.318 176.291 176.117 -0.241 0.000 1.023 217 I CA -0.854 60.307 61.300 -0.232 0.000 1.100 217 I CB 1.742 39.580 38.000 -0.271 0.000 1.238 217 I HN 0.294 nan 8.210 nan 0.000 0.445 218 A N 8.447 131.054 122.820 -0.355 0.000 2.295 218 A HA 0.838 5.157 4.320 -0.001 0.000 0.318 218 A C -2.549 174.997 177.584 -0.063 0.000 1.134 218 A CA -1.652 50.210 52.037 -0.291 0.000 0.827 218 A CB 0.405 19.075 19.000 -0.550 0.000 1.136 218 A HN 0.412 nan 8.150 nan 0.000 0.493 219 P HA 0.220 nan 4.420 nan 0.000 0.276 219 P C -0.992 176.587 177.300 0.465 0.000 1.230 219 P CA 0.135 63.364 63.100 0.215 0.000 0.776 219 P CB 0.460 32.229 31.700 0.115 0.000 0.888 220 F N 5.202 125.333 119.950 0.301 0.000 2.394 220 F HA 0.425 4.952 4.527 -0.001 0.000 0.340 220 F C -1.961 173.799 175.800 -0.067 0.000 1.105 220 F CA -2.561 55.507 58.000 0.112 0.000 1.124 220 F CB 0.648 39.675 39.000 0.046 0.000 1.145 220 F HN 0.201 nan 8.300 nan 0.000 0.505 221 P HA -0.012 nan 4.420 nan 0.000 0.264 221 P C -1.193 176.014 177.300 -0.155 0.000 1.183 221 P CA 0.186 62.988 63.100 -0.497 0.000 0.763 221 P CB 0.363 31.526 31.700 -0.896 0.000 0.807 222 R N 4.089 124.551 120.500 -0.064 0.000 2.247 222 R HA 0.321 4.661 4.340 -0.001 0.000 0.329 222 R C -0.236 176.042 176.300 -0.036 0.000 1.014 222 R CA -0.524 55.589 56.100 0.022 0.000 0.907 222 R CB -0.073 30.252 30.300 0.042 0.000 1.146 222 R HN 0.481 nan 8.270 nan 0.000 0.499 223 L N 3.600 124.813 121.223 -0.016 0.000 2.464 223 L HA 0.273 4.613 4.340 -0.001 0.000 0.264 223 L C 0.301 177.052 176.870 -0.199 0.000 1.199 223 L CA -0.006 54.739 54.840 -0.158 0.000 0.818 223 L CB 0.752 42.663 42.059 -0.247 0.000 1.102 223 L HN 0.483 nan 8.230 nan 0.000 0.473 224 K N 1.517 121.676 120.400 -0.403 0.000 2.207 224 K HA 0.538 4.858 4.320 -0.001 0.000 0.255 224 K C -1.579 174.726 176.600 -0.492 0.000 0.941 224 K CA -0.611 55.371 56.287 -0.508 0.000 0.825 224 K CB 1.834 33.703 32.500 -1.053 0.000 1.119 224 K HN 0.227 nan 8.250 nan 0.000 0.430 225 Y N 0.971 121.222 120.300 -0.082 0.000 2.524 225 Y HA 0.337 4.886 4.550 -0.001 0.000 0.344 225 Y C -2.040 174.031 175.900 0.286 0.000 1.012 225 Y CA -2.446 55.734 58.100 0.134 0.000 1.068 225 Y CB 1.068 39.578 38.460 0.084 0.000 1.249 225 Y HN 0.484 nan 8.280 nan 0.000 0.468 226 P HA 0.198 nan 4.420 nan 0.000 0.274 226 P C 0.495 177.943 177.300 0.247 0.000 1.231 226 P CA -0.259 63.042 63.100 0.335 0.000 0.790 226 P CB 0.966 32.791 31.700 0.207 0.000 0.951 227 L N 1.050 122.347 121.223 0.122 0.000 2.083 227 L HA -0.218 4.121 4.340 -0.001 0.000 0.209 227 L C 1.829 178.730 176.870 0.052 0.000 1.083 227 L CA 1.702 56.548 54.840 0.010 0.000 0.752 227 L CB -0.802 41.243 42.059 -0.023 0.000 0.899 227 L HN 0.439 nan 8.230 nan 0.000 0.433 228 E N -0.108 120.121 120.200 0.048 0.000 2.427 228 E HA -0.143 4.207 4.350 -0.001 0.000 0.196 228 E C 1.338 177.911 176.600 -0.044 0.000 1.028 228 E CA 0.605 57.011 56.400 0.010 0.000 0.864 228 E CB -0.216 29.491 29.700 0.011 0.000 0.813 228 E HN 0.477 nan 8.360 nan 0.000 0.514 229 E N -0.437 119.712 120.200 -0.086 0.000 2.474 229 E HA 0.134 4.484 4.350 -0.001 0.000 0.195 229 E C -0.296 175.932 176.600 -0.619 0.000 1.039 229 E CA 0.028 56.229 56.400 -0.330 0.000 0.881 229 E CB 0.192 29.644 29.700 -0.413 0.000 0.970 229 E HN 0.276 nan 8.360 nan 0.000 0.486 230 F N -0.600 119.329 119.950 -0.034 0.000 2.733 230 F HA 0.135 4.662 4.527 -0.001 0.000 0.380 230 F C 1.130 176.896 175.800 -0.057 0.000 1.324 230 F CA -0.302 57.670 58.000 -0.047 0.000 1.178 230 F CB 0.689 39.647 39.000 -0.069 0.000 1.093 230 F HN -0.161 nan 8.300 nan 0.000 0.512 231 V N -0.077 119.869 119.914 0.054 0.000 2.233 231 V HA -0.314 3.806 4.120 -0.001 0.000 0.247 231 V C 2.316 178.430 176.094 0.034 0.000 1.050 231 V CA 2.209 64.527 62.300 0.030 0.000 1.010 231 V CB -0.559 31.268 31.823 0.006 0.000 0.637 231 V HN 0.301 nan 8.190 nan 0.000 0.444 232 K N -0.813 119.607 120.400 0.033 0.000 2.057 232 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 232 K C 2.091 178.717 176.600 0.044 0.000 1.050 232 K CA 1.509 57.815 56.287 0.030 0.000 0.935 232 K CB -0.463 32.051 32.500 0.023 0.000 0.715 232 K HN 0.715 nan 8.250 nan 0.000 0.439 233 E N 0.597 120.851 120.200 0.089 0.000 2.106 233 E HA -0.067 4.282 4.350 -0.001 0.000 0.192 233 E C 1.992 178.605 176.600 0.022 0.000 0.984 233 E CA 1.228 57.680 56.400 0.087 0.000 0.806 233 E CB -0.197 29.620 29.700 0.196 0.000 0.750 233 E HN 0.278 nan 8.360 nan 0.000 0.458 234 N N 0.375 119.084 118.700 0.015 0.000 2.216 234 N HA -0.111 4.629 4.740 -0.001 0.000 0.183 234 N C 1.616 177.096 175.510 -0.050 0.000 1.017 234 N CA 0.788 53.806 53.050 -0.052 0.000 0.861 234 N CB -0.107 38.337 38.487 -0.072 0.000 0.986 234 N HN 0.240 nan 8.380 nan 0.000 0.428 235 Q N 0.384 120.173 119.800 -0.018 0.000 2.084 235 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 235 Q C 2.503 178.495 176.000 -0.013 0.000 0.978 235 Q CA 2.211 58.007 55.803 -0.012 0.000 0.844 235 Q CB -0.282 28.457 28.738 0.001 0.000 0.898 235 Q HN 0.599 nan 8.270 nan 0.000 0.426 236 Q N 0.905 120.700 119.800 -0.008 0.000 2.172 236 Q HA -0.188 4.151 4.340 -0.001 0.000 0.200 236 Q C 1.639 177.628 176.000 -0.017 0.000 0.964 236 Q CA 1.688 57.488 55.803 -0.005 0.000 0.855 236 Q CB -0.493 28.248 28.738 0.005 0.000 0.918 236 Q HN 0.463 nan 8.270 nan 0.000 0.444 237 E N 0.727 120.903 120.200 -0.039 0.000 2.051 237 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 237 E C 1.901 178.449 176.600 -0.087 0.000 0.991 237 E CA 1.780 58.141 56.400 -0.064 0.000 0.799 237 E CB -0.125 29.518 29.700 -0.094 0.000 0.748 237 E HN 0.782 nan 8.360 nan 0.000 0.449 238 E N -0.117 120.018 120.200 -0.107 0.000 2.110 238 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 238 E C 2.047 178.675 176.600 0.046 0.000 0.988 238 E CA 0.930 57.276 56.400 -0.091 0.000 0.804 238 E CB -0.213 29.442 29.700 -0.076 0.000 0.745 238 E HN 0.420 nan 8.360 nan 0.000 0.458 239 A N 1.675 124.507 122.820 0.020 0.000 1.930 239 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 239 A C 2.108 179.708 177.584 0.026 0.000 1.175 239 A CA 1.386 53.438 52.037 0.024 0.000 0.627 239 A CB -0.432 18.574 19.000 0.009 0.000 0.815 239 A HN 0.101 nan 8.150 nan 0.000 0.443 240 R N -0.552 119.958 120.500 0.016 0.000 2.081 240 R HA -0.149 4.190 4.340 -0.001 0.000 0.235 240 R C 2.030 178.352 176.300 0.037 0.000 1.131 240 R CA 1.994 58.106 56.100 0.019 0.000 0.960 240 R CB -0.736 29.569 30.300 0.008 0.000 0.856 240 R HN 0.512 nan 8.270 nan 0.000 0.436 241 C N 0.728 120.060 119.300 0.052 0.000 2.446 241 C HA -0.007 4.452 4.460 -0.001 0.000 0.277 241 C C 2.640 177.725 174.990 0.158 0.000 1.275 241 C CA 0.442 59.528 59.018 0.112 0.000 1.727 241 C CB -0.895 26.905 27.740 0.100 0.000 2.010 241 C HN 0.506 nan 8.230 nan 0.000 0.486 242 L N 1.066 122.376 121.223 0.146 0.000 2.046 242 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 242 L C 3.039 179.919 176.870 0.016 0.000 1.077 242 L CA 2.146 57.019 54.840 0.055 0.000 0.747 242 L CB -1.033 41.014 42.059 -0.021 0.000 0.896 242 L HN 0.507 nan 8.230 nan 0.000 0.432 243 E N 0.464 120.677 120.200 0.022 0.000 2.110 243 E HA -0.258 4.092 4.350 -0.001 0.000 0.193 243 E C 1.945 178.552 176.600 0.011 0.000 0.988 243 E CA 1.563 57.971 56.400 0.015 0.000 0.804 243 E CB -0.624 29.086 29.700 0.017 0.000 0.745 243 E HN 0.651 nan 8.360 nan 0.000 0.458 244 E N -0.173 120.038 120.200 0.018 0.000 2.152 244 E HA -0.057 4.292 4.350 -0.001 0.000 0.192 244 E C 2.301 178.884 176.600 -0.028 0.000 0.983 244 E CA 0.889 57.293 56.400 0.006 0.000 0.818 244 E CB 0.019 29.729 29.700 0.017 0.000 0.758 244 E HN 0.393 nan 8.360 nan 0.000 0.467 245 V N 1.364 121.258 119.914 -0.032 0.000 2.261 245 V HA -0.288 3.832 4.120 -0.001 0.000 0.246 245 V C 2.319 178.335 176.094 -0.130 0.000 1.047 245 V CA 2.135 64.376 62.300 -0.099 0.000 1.015 245 V CB -0.388 31.404 31.823 -0.051 0.000 0.642 245 V HN 0.268 nan 8.190 nan 0.000 0.446 246 E N -0.158 119.982 120.200 -0.099 0.000 2.077 246 E HA -0.253 4.097 4.350 -0.001 0.000 0.193 246 E C 1.906 178.478 176.600 -0.048 0.000 0.989 246 E CA 1.508 57.836 56.400 -0.120 0.000 0.800 246 E CB -0.098 29.605 29.700 0.004 0.000 0.746 246 E HN 0.592 nan 8.360 nan 0.000 0.452 247 D N 0.333 120.730 120.400 -0.005 0.000 2.149 247 D HA -0.178 4.462 4.640 -0.001 0.000 0.198 247 D C 2.015 178.334 176.300 0.033 0.000 0.990 247 D CA 0.855 54.870 54.000 0.025 0.000 0.839 247 D CB -0.151 40.664 40.800 0.026 0.000 0.948 247 D HN 0.272 nan 8.370 nan 0.000 0.460 248 L N 0.229 121.451 121.223 -0.002 0.000 2.093 248 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 248 L C 2.462 179.352 176.870 0.033 0.000 1.085 248 L CA 0.497 55.352 54.840 0.025 0.000 0.755 248 L CB -0.168 41.841 42.059 -0.083 0.000 0.904 248 L HN 0.003 nan 8.230 nan 0.000 0.435 249 I N -1.106 119.419 120.570 -0.075 0.000 2.179 249 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 249 I C 2.409 178.558 176.117 0.052 0.000 1.088 249 I CA 1.052 62.300 61.300 -0.087 0.000 1.357 249 I CB -0.299 37.499 38.000 -0.335 0.000 1.051 249 I HN -0.004 nan 8.210 nan 0.000 0.409 250 V N 1.020 120.984 119.914 0.082 0.000 2.343 250 V HA -0.304 3.816 4.120 -0.001 0.000 0.247 250 V C 2.532 178.681 176.094 0.092 0.000 1.051 250 V CA 1.940 64.310 62.300 0.117 0.000 1.036 250 V CB -0.710 31.182 31.823 0.116 0.000 0.654 250 V HN 0.428 nan 8.190 nan 0.000 0.451 251 K N -0.929 119.535 120.400 0.106 0.000 2.097 251 K HA -0.201 4.119 4.320 -0.001 0.000 0.206 251 K C 2.143 178.770 176.600 0.045 0.000 1.049 251 K CA 1.804 58.139 56.287 0.081 0.000 0.933 251 K CB -0.223 32.347 32.500 0.117 0.000 0.717 251 K HN 0.478 nan 8.250 nan 0.000 0.442 252 Y N 0.192 120.488 120.300 -0.007 0.000 2.457 252 Y HA -0.103 4.447 4.550 -0.001 0.000 0.292 252 Y C 2.755 178.645 175.900 -0.016 0.000 1.125 252 Y CA 0.798 58.893 58.100 -0.008 0.000 1.254 252 Y CB -0.234 38.211 38.460 -0.024 0.000 1.012 252 Y HN -0.029 nan 8.280 nan 0.000 0.555 253 R N 0.776 121.333 120.500 0.094 0.000 2.073 253 R HA -0.133 4.206 4.340 -0.001 0.000 0.234 253 R C 2.039 178.352 176.300 0.020 0.000 1.134 253 R CA 1.929 58.054 56.100 0.042 0.000 0.952 253 R CB -0.573 29.760 30.300 0.055 0.000 0.850 253 R HN 0.444 nan 8.270 nan 0.000 0.433 254 K N 0.186 120.592 120.400 0.010 0.000 2.097 254 K HA -0.040 4.280 4.320 -0.001 0.000 0.206 254 K C 2.318 178.897 176.600 -0.035 0.000 1.049 254 K CA 1.863 58.144 56.287 -0.010 0.000 0.933 254 K CB -0.141 32.351 32.500 -0.012 0.000 0.717 254 K HN 0.276 nan 8.250 nan 0.000 0.442 255 K N 0.867 121.217 120.400 -0.083 0.000 2.555 255 K HA -0.015 4.305 4.320 -0.001 0.000 0.193 255 K C -0.129 176.446 176.600 -0.041 0.000 1.032 255 K CA 0.448 56.667 56.287 -0.114 0.000 1.004 255 K CB 0.077 32.404 32.500 -0.287 0.000 0.804 255 K HN 0.061 nan 8.250 nan 0.000 0.496 256 K N 0.324 120.725 120.400 0.001 0.000 3.117 256 K HA -0.195 4.124 4.320 -0.001 0.000 0.269 256 K C -0.855 175.804 176.600 0.097 0.000 1.098 256 K CA 0.792 57.109 56.287 0.051 0.000 0.785 256 K CB -1.268 31.262 32.500 0.049 0.000 1.242 256 K HN 0.180 nan 8.250 nan 0.000 0.491 257 K N 1.060 121.518 120.400 0.097 0.000 3.163 257 K HA 0.116 4.435 4.320 -0.001 0.000 0.186 257 K C -0.474 176.195 176.600 0.115 0.000 1.111 257 K CA -0.334 56.060 56.287 0.179 0.000 0.918 257 K CB 1.061 33.717 32.500 0.260 0.000 1.059 257 K HN 0.029 nan 8.250 nan 0.000 0.558 258 T N 1.137 115.662 114.554 -0.049 0.000 2.891 258 T HA -0.048 4.301 4.350 -0.001 0.000 0.296 258 T C 0.612 175.081 174.700 -0.386 0.000 1.025 258 T CA 0.059 61.982 62.100 -0.295 0.000 1.149 258 T CB 0.575 69.040 68.868 -0.672 0.000 1.007 258 T HN 0.010 nan 8.240 nan 0.000 0.528 259 V N 4.023 123.770 119.914 -0.278 0.000 2.381 259 V HA 0.208 4.328 4.120 -0.001 0.000 0.257 259 V C 1.340 177.215 176.094 -0.365 0.000 1.057 259 V CA 0.059 62.183 62.300 -0.294 0.000 1.013 259 V CB -0.157 31.545 31.823 -0.202 0.000 1.069 259 V HN 1.139 nan 8.190 nan 0.000 0.484 260 A N 4.176 126.739 122.820 -0.428 0.000 2.016 260 A HA 0.504 4.823 4.320 -0.001 0.000 0.217 260 A C 1.179 178.788 177.584 0.042 0.000 1.162 260 A CA 1.043 52.879 52.037 -0.336 0.000 0.662 260 A CB 0.020 18.933 19.000 -0.145 0.000 0.812 260 A HN 0.984 nan 8.150 nan 0.000 0.450 261 G N -1.505 107.221 108.800 -0.124 0.000 2.698 261 G HA2 0.532 4.492 3.960 -0.001 0.000 0.293 261 G HA3 0.532 4.492 3.960 -0.001 0.000 0.293 261 G C -1.353 173.473 174.900 -0.122 0.000 1.437 261 G CA -0.601 44.453 45.100 -0.078 0.000 0.852 261 G HN 0.100 nan 8.290 nan 0.000 0.499 262 I N 1.159 121.729 120.570 -0.001 0.000 2.406 262 I HA 0.483 4.652 4.170 -0.001 0.000 0.290 262 I C -0.535 175.604 176.117 0.037 0.000 0.999 262 I CA -0.772 60.565 61.300 0.061 0.000 1.124 262 I CB 2.069 40.219 38.000 0.250 0.000 1.289 262 I HN 0.376 nan 8.210 nan 0.000 0.441 263 I N 7.262 127.851 120.570 0.033 0.000 2.441 263 I HA 0.683 4.852 4.170 -0.001 0.000 0.295 263 I C -1.413 174.791 176.117 0.146 0.000 0.994 263 I CA -0.558 60.719 61.300 -0.039 0.000 1.144 263 I CB 1.795 39.724 38.000 -0.119 0.000 1.314 263 I HN 0.378 nan 8.210 nan 0.000 0.445 264 V N 6.674 126.627 119.914 0.065 0.000 3.048 264 V HA 0.408 4.527 4.120 -0.001 0.000 0.303 264 V C -1.091 175.126 176.094 0.205 0.000 1.214 264 V CA -0.447 62.015 62.300 0.271 0.000 0.984 264 V CB 2.586 34.646 31.823 0.396 0.000 1.054 264 V HN 0.836 nan 8.190 nan 0.000 0.430 265 E N 6.061 126.435 120.200 0.290 0.000 2.301 265 E HA 0.345 4.694 4.350 -0.001 0.000 0.275 265 E C -1.941 174.791 176.600 0.219 0.000 1.030 265 E CA -1.575 54.948 56.400 0.205 0.000 0.852 265 E CB 1.604 31.403 29.700 0.166 0.000 1.060 265 E HN 0.491 nan 8.360 nan 0.000 0.401 266 P HA -0.095 nan 4.420 nan 0.000 0.218 266 P C -0.290 177.034 177.300 0.039 0.000 1.149 266 P CA 1.278 64.311 63.100 -0.113 0.000 0.817 266 P CB 0.314 31.927 31.700 -0.145 0.000 0.785 267 I N -1.251 119.287 120.570 -0.052 0.000 2.534 267 I HA 0.187 4.356 4.170 -0.001 0.000 0.288 267 I C -0.193 175.865 176.117 -0.099 0.000 1.077 267 I CA -0.878 60.337 61.300 -0.142 0.000 1.051 267 I CB 2.275 39.996 38.000 -0.465 0.000 1.234 267 I HN -0.305 nan 8.210 nan 0.000 0.425 268 Q N 3.687 123.377 119.800 -0.183 0.000 2.286 268 Q HA 0.228 4.568 4.340 -0.001 0.000 0.267 268 Q C 0.256 176.247 176.000 -0.016 0.000 1.028 268 Q CA -0.068 55.634 55.803 -0.168 0.000 0.901 268 Q CB 1.549 30.052 28.738 -0.392 0.000 1.183 268 Q HN 0.711 nan 8.270 nan 0.000 0.392 269 S N 2.316 118.047 115.700 0.052 0.000 2.346 269 S HA -0.066 4.403 4.470 -0.001 0.000 0.204 269 S C 1.298 175.890 174.600 -0.013 0.000 1.008 269 S CA 0.125 58.370 58.200 0.075 0.000 0.925 269 S CB 0.161 63.425 63.200 0.106 0.000 0.903 269 S HN 0.585 nan 8.310 nan 0.000 0.537 270 E N 1.333 121.491 120.200 -0.071 0.000 2.160 270 E HA -0.069 4.281 4.350 -0.001 0.000 0.195 270 E C 1.920 178.518 176.600 -0.004 0.000 0.991 270 E CA 0.989 57.311 56.400 -0.130 0.000 0.810 270 E CB -0.769 28.680 29.700 -0.417 0.000 0.742 270 E HN 0.548 nan 8.360 nan 0.000 0.466 271 G N -0.130 108.694 108.800 0.041 0.000 2.744 271 G HA2 0.126 4.086 3.960 -0.001 0.000 0.211 271 G HA3 0.126 4.086 3.960 -0.001 0.000 0.211 271 G C 0.915 175.836 174.900 0.036 0.000 1.143 271 G CA 0.517 45.654 45.100 0.061 0.000 0.788 271 G HN 0.409 nan 8.290 nan 0.000 0.534 272 G N -0.001 108.809 108.800 0.017 0.000 2.192 272 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.152 272 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.152 272 G C -0.205 174.723 174.900 0.047 0.000 1.057 272 G CA -0.063 45.049 45.100 0.019 0.000 0.748 272 G HN 0.228 nan 8.290 nan 0.000 0.488 273 D N 0.305 120.737 120.400 0.055 0.000 2.735 273 D HA -0.146 4.493 4.640 -0.001 0.000 0.235 273 D C 0.253 176.661 176.300 0.180 0.000 1.175 273 D CA 1.220 55.295 54.000 0.126 0.000 0.683 273 D CB -0.638 40.265 40.800 0.171 0.000 1.008 273 D HN 0.575 nan 8.370 nan 0.000 0.416 274 N N 1.629 120.384 118.700 0.091 0.000 2.422 274 N HA 0.135 4.875 4.740 -0.001 0.000 0.264 274 N C 0.091 175.753 175.510 0.254 0.000 1.063 274 N CA 0.034 53.212 53.050 0.213 0.000 0.959 274 N CB 0.767 39.340 38.487 0.144 0.000 1.087 274 N HN 0.378 nan 8.380 nan 0.000 0.483 275 H N 0.291 119.593 119.070 0.386 0.000 2.525 275 H HA 0.690 5.245 4.556 -0.001 0.000 0.340 275 H C -0.354 175.162 175.328 0.314 0.000 1.168 275 H CA -0.729 55.556 56.048 0.396 0.000 1.247 275 H CB 2.028 31.981 29.762 0.318 0.000 1.568 275 H HN 0.582 nan 8.280 nan 0.000 0.536 276 A N 1.157 124.208 122.820 0.386 0.000 2.527 276 A HA 0.425 4.744 4.320 -0.001 0.000 0.293 276 A C -0.172 177.541 177.584 0.215 0.000 1.117 276 A CA -0.653 51.371 52.037 -0.022 0.000 0.723 276 A CB 1.238 19.767 19.000 -0.786 0.000 1.313 276 A HN 0.722 nan 8.150 nan 0.000 0.411 277 S N 0.118 115.867 115.700 0.082 0.000 2.584 277 S HA 0.161 4.631 4.470 -0.001 0.000 0.270 277 S C 0.076 174.857 174.600 0.300 0.000 1.346 277 S CA 0.293 58.599 58.200 0.177 0.000 1.018 277 S CB 0.506 63.759 63.200 0.088 0.000 0.899 277 S HN 0.548 nan 8.310 nan 0.000 0.542 278 D N 0.893 121.473 120.400 0.299 0.000 2.144 278 D HA -0.113 4.526 4.640 -0.001 0.000 0.199 278 D C 1.426 177.794 176.300 0.114 0.000 0.984 278 D CA 1.614 55.791 54.000 0.295 0.000 0.834 278 D CB -0.563 40.443 40.800 0.344 0.000 0.955 278 D HN 0.857 nan 8.370 nan 0.000 0.465 279 D N -0.244 120.214 120.400 0.096 0.000 2.123 279 D HA -0.204 4.435 4.640 -0.001 0.000 0.196 279 D C 1.892 178.164 176.300 -0.046 0.000 0.992 279 D CA 0.671 54.686 54.000 0.025 0.000 0.833 279 D CB -0.260 40.562 40.800 0.036 0.000 0.954 279 D HN 0.151 nan 8.370 nan 0.000 0.455 280 F N -0.217 119.614 119.950 -0.199 0.000 2.095 280 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 280 F C 1.749 177.263 175.800 -0.477 0.000 1.104 280 F CA 1.460 59.243 58.000 -0.361 0.000 1.232 280 F CB -0.533 38.160 39.000 -0.510 0.000 0.987 280 F HN -0.031 nan 8.300 nan 0.000 0.475 281 F N 0.502 120.172 119.950 -0.467 0.000 2.234 281 F HA -0.058 4.469 4.527 -0.001 0.000 0.299 281 F C 2.527 177.847 175.800 -0.801 0.000 1.087 281 F CA 1.224 58.711 58.000 -0.855 0.000 1.340 281 F CB -0.532 37.561 39.000 -1.513 0.000 1.031 281 F HN -0.186 nan 8.300 nan 0.000 0.500 282 R N 0.448 120.715 120.500 -0.388 0.000 2.081 282 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 282 R C 2.053 178.183 176.300 -0.282 0.000 1.131 282 R CA 1.387 57.344 56.100 -0.239 0.000 0.960 282 R CB -0.324 29.922 30.300 -0.090 0.000 0.856 282 R HN 0.276 nan 8.270 nan 0.000 0.436 283 K N 0.322 120.528 120.400 -0.324 0.000 2.103 283 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 283 K C 2.004 178.360 176.600 -0.407 0.000 1.052 283 K CA 0.690 56.793 56.287 -0.307 0.000 0.945 283 K CB -0.148 32.194 32.500 -0.263 0.000 0.722 283 K HN 0.001 nan 8.250 nan 0.000 0.443 284 L N 1.602 122.457 121.223 -0.614 0.000 2.046 284 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 284 L C 2.267 178.721 176.870 -0.692 0.000 1.077 284 L CA 1.643 56.118 54.840 -0.608 0.000 0.747 284 L CB -0.363 41.272 42.059 -0.707 0.000 0.896 284 L HN 0.058 nan 8.230 nan 0.000 0.432 285 R N -0.232 119.749 120.500 -0.864 0.000 2.081 285 R HA -0.162 4.177 4.340 -0.001 0.000 0.235 285 R C 1.819 177.829 176.300 -0.484 0.000 1.131 285 R CA 1.803 57.297 56.100 -1.009 0.000 0.960 285 R CB -0.570 29.355 30.300 -0.625 0.000 0.856 285 R HN 0.445 nan 8.270 nan 0.000 0.436 286 D N 0.402 120.615 120.400 -0.313 0.000 2.144 286 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 286 D C 1.979 178.210 176.300 -0.115 0.000 0.984 286 D CA 1.007 54.907 54.000 -0.167 0.000 0.834 286 D CB -0.181 40.542 40.800 -0.128 0.000 0.955 286 D HN 0.284 nan 8.370 nan 0.000 0.465 287 I N 0.180 120.661 120.570 -0.148 0.000 2.226 287 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 287 I C 2.490 178.609 176.117 0.003 0.000 1.100 287 I CA 0.716 61.990 61.300 -0.044 0.000 1.374 287 I CB -0.136 37.797 38.000 -0.112 0.000 1.057 287 I HN -0.072 nan 8.210 nan 0.000 0.413 288 S N 0.534 116.165 115.700 -0.116 0.000 2.353 288 S HA -0.257 4.213 4.470 -0.001 0.000 0.222 288 S C 2.276 176.922 174.600 0.076 0.000 1.035 288 S CA 1.643 59.826 58.200 -0.029 0.000 1.025 288 S CB -0.254 62.882 63.200 -0.106 0.000 0.902 288 S HN 0.328 nan 8.310 nan 0.000 0.440 289 R N 0.884 121.399 120.500 0.026 0.000 2.096 289 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 289 R C 2.440 178.798 176.300 0.097 0.000 1.127 289 R CA 1.702 57.850 56.100 0.079 0.000 0.968 289 R CB -0.339 29.979 30.300 0.030 0.000 0.861 289 R HN 0.386 nan 8.270 nan 0.000 0.440 290 K N -0.437 120.013 120.400 0.083 0.000 2.103 290 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 290 K C 0.925 177.546 176.600 0.036 0.000 1.048 290 K CA 1.516 57.832 56.287 0.048 0.000 0.930 290 K CB -0.052 32.475 32.500 0.045 0.000 0.716 290 K HN 0.471 nan 8.250 nan 0.000 0.444 291 H N -1.489 117.602 119.070 0.035 0.000 2.520 291 H HA 0.123 4.678 4.556 -0.001 0.000 0.284 291 H C 0.597 175.990 175.328 0.109 0.000 1.037 291 H CA 0.361 56.441 56.048 0.053 0.000 1.168 291 H CB 0.952 30.738 29.762 0.040 0.000 1.497 291 H HN 0.548 nan 8.280 nan 0.000 0.547 292 G N 1.423 110.368 108.800 0.242 0.000 2.160 292 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.251 292 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.251 292 G C 0.206 175.399 174.900 0.488 0.000 1.008 292 G CA 0.285 45.553 45.100 0.279 0.000 0.724 292 G HN 0.409 nan 8.290 nan 0.000 0.514 293 C N 1.101 120.640 119.300 0.398 0.000 2.452 293 C HA 0.778 5.237 4.460 -0.001 0.000 0.379 293 C C 1.311 176.516 174.990 0.357 0.000 1.275 293 C CA -0.377 58.868 59.018 0.378 0.000 2.056 293 C CB 0.447 28.293 27.740 0.177 0.000 2.506 293 C HN 1.143 nan 8.230 nan 0.000 0.560 294 A N 2.882 125.904 122.820 0.336 0.000 2.477 294 A HA 0.439 4.758 4.320 -0.001 0.000 0.246 294 A C -0.533 177.107 177.584 0.094 0.000 1.078 294 A CA 0.029 52.105 52.037 0.064 0.000 0.770 294 A CB -0.035 18.913 19.000 -0.086 0.000 1.011 294 A HN 0.770 nan 8.150 nan 0.000 0.494 295 F N 3.398 123.267 119.950 -0.134 0.000 2.371 295 F HA 0.445 4.971 4.527 -0.001 0.000 0.363 295 F C -0.268 175.444 175.800 -0.148 0.000 1.122 295 F CA -1.052 56.897 58.000 -0.086 0.000 1.129 295 F CB 0.841 39.821 39.000 -0.032 0.000 1.173 295 F HN 0.464 nan 8.300 nan 0.000 0.489 296 L N 7.644 128.623 121.223 -0.408 0.000 2.276 296 L HA 0.504 4.844 4.340 -0.001 0.000 0.286 296 L C -1.283 175.284 176.870 -0.505 0.000 1.024 296 L CA -0.646 53.949 54.840 -0.409 0.000 0.826 296 L CB 1.004 42.905 42.059 -0.263 0.000 1.211 296 L HN 0.290 nan 8.230 nan 0.000 0.422 297 V N 3.889 123.531 119.914 -0.453 0.000 2.370 297 V HA 0.205 4.324 4.120 -0.001 0.000 0.279 297 V C -0.171 175.810 176.094 -0.188 0.000 1.029 297 V CA -0.585 61.516 62.300 -0.331 0.000 0.870 297 V CB 1.545 33.188 31.823 -0.301 0.000 0.984 297 V HN 0.595 nan 8.190 nan 0.000 0.451 298 D N 4.228 124.566 120.400 -0.104 0.000 2.428 298 D HA 0.198 4.837 4.640 -0.001 0.000 0.221 298 D C 0.567 176.903 176.300 0.059 0.000 1.123 298 D CA -0.181 53.804 54.000 -0.025 0.000 0.869 298 D CB 1.016 41.824 40.800 0.013 0.000 1.032 298 D HN 0.583 nan 8.370 nan 0.000 0.506 299 E N 2.841 123.094 120.200 0.088 0.000 2.496 299 E HA 0.047 4.396 4.350 -0.001 0.000 0.200 299 E C 1.655 178.405 176.600 0.250 0.000 1.016 299 E CA -0.103 56.404 56.400 0.177 0.000 0.962 299 E CB 1.003 30.862 29.700 0.265 0.000 1.071 299 E HN 0.332 nan 8.360 nan 0.000 0.457 300 V N 1.010 121.041 119.914 0.195 0.000 2.324 300 V HA -0.322 3.798 4.120 -0.001 0.000 0.250 300 V C 2.382 178.576 176.094 0.166 0.000 1.060 300 V CA 2.243 64.655 62.300 0.187 0.000 1.042 300 V CB -0.249 31.655 31.823 0.134 0.000 0.650 300 V HN 0.323 nan 8.190 nan 0.000 0.450 301 Q N -0.898 118.996 119.800 0.156 0.000 2.349 301 Q HA -0.079 4.260 4.340 -0.001 0.000 0.209 301 Q C 2.204 178.333 176.000 0.217 0.000 0.920 301 Q CA 1.141 57.040 55.803 0.161 0.000 0.901 301 Q CB 0.250 29.087 28.738 0.165 0.000 1.021 301 Q HN 0.811 nan 8.270 nan 0.000 0.519 302 T N -2.687 111.940 114.554 0.121 0.000 3.043 302 T HA 0.173 4.523 4.350 -0.001 0.000 0.263 302 T C 0.963 175.656 174.700 -0.012 0.000 1.094 302 T CA 0.280 62.351 62.100 -0.048 0.000 1.127 302 T CB 0.010 68.740 68.868 -0.229 0.000 0.905 302 T HN 0.208 nan 8.240 nan 0.000 0.490 303 G N -0.316 108.553 108.800 0.115 0.000 2.527 303 G HA2 0.441 4.401 3.960 -0.001 0.000 0.248 303 G HA3 0.441 4.401 3.960 -0.001 0.000 0.248 303 G C 0.922 175.655 174.900 -0.279 0.000 1.231 303 G CA -0.179 44.976 45.100 0.092 0.000 0.838 303 G HN 1.184 nan 8.290 nan 0.000 0.570 304 G N -0.993 107.287 108.800 -0.866 0.000 2.138 304 G HA2 0.287 4.247 3.960 -0.001 0.000 0.193 304 G HA3 0.287 4.247 3.960 -0.001 0.000 0.193 304 G C 1.195 175.532 174.900 -0.939 0.000 0.998 304 G CA 0.777 45.224 45.100 -1.088 0.000 0.668 304 G HN 2.546 nan 8.290 nan 0.000 0.516 305 G N -0.827 107.493 108.800 -0.799 0.000 2.213 305 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.226 305 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.226 305 G C 1.809 176.572 174.900 -0.228 0.000 0.992 305 G CA 1.534 46.327 45.100 -0.512 0.000 0.632 305 G HN 2.219 nan 8.290 nan 0.000 0.511 306 S N 0.507 116.115 115.700 -0.154 0.000 2.447 306 S HA -0.052 4.418 4.470 -0.001 0.000 0.233 306 S C 2.234 176.865 174.600 0.051 0.000 1.006 306 S CA 2.258 60.445 58.200 -0.021 0.000 0.957 306 S CB -0.700 62.526 63.200 0.044 0.000 0.773 306 S HN 1.539 nan 8.310 nan 0.000 0.507 307 T N -2.960 111.614 114.554 0.033 0.000 3.148 307 T HA 0.478 4.827 4.350 -0.001 0.000 0.253 307 T C 1.600 176.384 174.700 0.140 0.000 1.134 307 T CA 0.750 62.901 62.100 0.085 0.000 1.051 307 T CB -0.271 68.640 68.868 0.072 0.000 0.959 307 T HN 1.164 nan 8.240 nan 0.000 0.525 308 G N 0.871 109.719 108.800 0.080 0.000 2.213 308 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.226 308 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.226 308 G C -0.066 174.867 174.900 0.055 0.000 0.992 308 G CA -0.108 45.045 45.100 0.089 0.000 0.632 308 G HN 0.626 nan 8.290 nan 0.000 0.511 309 K N -0.706 119.679 120.400 -0.025 0.000 2.385 309 K HA 0.607 4.927 4.320 -0.001 0.000 0.248 309 K C 0.418 176.858 176.600 -0.266 0.000 0.955 309 K CA -1.059 55.109 56.287 -0.199 0.000 0.816 309 K CB 1.725 33.938 32.500 -0.479 0.000 1.250 309 K HN -0.019 nan 8.250 nan 0.000 0.434 310 F N 0.693 120.390 119.950 -0.421 0.000 2.065 310 F HA -0.149 4.378 4.527 -0.001 0.000 0.298 310 F C 0.103 175.401 175.800 -0.837 0.000 1.112 310 F CA 1.667 59.270 58.000 -0.662 0.000 1.212 310 F CB 0.222 38.737 39.000 -0.808 0.000 0.975 310 F HN 0.464 nan 8.300 nan 0.000 0.476 311 W N -1.179 120.010 121.300 -0.185 0.000 2.478 311 W HA 0.533 5.192 4.660 -0.001 0.000 0.318 311 W C 0.932 177.106 176.519 -0.575 0.000 1.062 311 W CA -0.527 56.589 57.345 -0.382 0.000 1.210 311 W CB 1.042 30.171 29.460 -0.552 0.000 1.325 311 W HN -0.073 nan 8.180 nan 0.000 0.496 312 A N 1.893 124.581 122.820 -0.219 0.000 1.978 312 A HA -0.280 4.039 4.320 -0.001 0.000 0.220 312 A C 1.913 179.182 177.584 -0.525 0.000 1.170 312 A CA 2.040 53.921 52.037 -0.260 0.000 0.636 312 A CB -1.212 17.678 19.000 -0.183 0.000 0.810 312 A HN 0.869 nan 8.150 nan 0.000 0.448 313 H N -1.001 117.628 119.070 -0.736 0.000 2.489 313 H HA -0.014 4.542 4.556 -0.001 0.000 0.293 313 H C 1.414 176.115 175.328 -1.045 0.000 1.066 313 H CA 1.239 56.310 56.048 -1.627 0.000 1.305 313 H CB -0.332 28.450 29.762 -1.633 0.000 1.386 313 H HN 0.624 nan 8.280 nan 0.000 0.551 314 E N 0.607 120.261 120.200 -0.909 0.000 2.209 314 E HA -0.179 4.171 4.350 -0.001 0.000 0.196 314 E C 1.873 178.264 176.600 -0.348 0.000 0.993 314 E CA 0.728 56.816 56.400 -0.520 0.000 0.819 314 E CB -0.090 29.310 29.700 -0.500 0.000 0.745 314 E HN 0.671 nan 8.360 nan 0.000 0.477 315 H N -0.656 118.312 119.070 -0.171 0.000 2.422 315 H HA -0.163 4.392 4.556 -0.001 0.000 0.298 315 H C 1.620 177.081 175.328 0.221 0.000 1.098 315 H CA 1.081 57.147 56.048 0.029 0.000 1.315 315 H CB -0.234 29.570 29.762 0.069 0.000 1.382 315 H HN 0.400 nan 8.280 nan 0.000 0.523 316 W N 0.260 121.660 121.300 0.166 0.000 2.392 316 W HA 0.090 4.750 4.660 -0.001 0.000 0.279 316 W C 1.671 178.265 176.519 0.126 0.000 1.225 316 W CA 1.183 58.628 57.345 0.167 0.000 1.233 316 W CB -0.891 28.677 29.460 0.180 0.000 1.122 316 W HN 0.382 nan 8.180 nan 0.000 0.561 317 G N 0.268 109.236 108.800 0.281 0.000 2.160 317 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.244 317 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.244 317 G C -0.122 174.879 174.900 0.168 0.000 1.022 317 G CA -0.139 45.068 45.100 0.177 0.000 0.741 317 G HN 0.176 nan 8.290 nan 0.000 0.508 318 L N 0.001 121.352 121.223 0.213 0.000 2.325 318 L HA 0.416 4.756 4.340 -0.001 0.000 0.279 318 L C 0.988 177.930 176.870 0.120 0.000 1.054 318 L CA -1.032 53.914 54.840 0.176 0.000 0.804 318 L CB 0.989 43.194 42.059 0.243 0.000 1.200 318 L HN -0.054 nan 8.230 nan 0.000 0.436 319 D N 0.240 120.690 120.400 0.083 0.000 2.224 319 D HA -0.086 4.553 4.640 -0.001 0.000 0.205 319 D C 0.329 176.658 176.300 0.048 0.000 0.965 319 D CA 1.283 55.316 54.000 0.054 0.000 0.852 319 D CB 0.203 41.028 40.800 0.041 0.000 0.947 319 D HN 0.416 nan 8.370 nan 0.000 0.494 320 D N -0.235 120.203 120.400 0.063 0.000 2.441 320 D HA 0.116 4.755 4.640 -0.001 0.000 0.287 320 D C -1.911 174.444 176.300 0.091 0.000 1.198 320 D CA -1.895 52.138 54.000 0.054 0.000 0.894 320 D CB 1.384 42.213 40.800 0.048 0.000 1.070 320 D HN -0.078 nan 8.370 nan 0.000 0.499 321 P HA 0.191 nan 4.420 nan 0.000 0.227 321 P C -0.087 177.358 177.300 0.242 0.000 1.161 321 P CA 0.395 63.605 63.100 0.184 0.000 0.788 321 P CB 0.678 32.367 31.700 -0.018 0.000 0.822 322 A N -0.887 121.979 122.820 0.078 0.000 2.544 322 A HA 0.379 4.698 4.320 -0.001 0.000 0.291 322 A C -0.245 177.298 177.584 -0.068 0.000 1.055 322 A CA -0.460 51.632 52.037 0.093 0.000 0.651 322 A CB -0.070 18.855 19.000 -0.124 0.000 1.296 322 A HN -0.221 nan 8.150 nan 0.000 0.431 323 D N -0.732 119.569 120.400 -0.166 0.000 2.262 323 D HA 0.241 4.880 4.640 -0.001 0.000 0.212 323 D C 0.241 176.219 176.300 -0.536 0.000 0.964 323 D CA 1.507 55.245 54.000 -0.438 0.000 0.875 323 D CB 0.665 40.999 40.800 -0.776 0.000 0.996 323 D HN 0.295 nan 8.370 nan 0.000 0.497 324 V N 1.221 120.873 119.914 -0.436 0.000 2.841 324 V HA 0.425 4.544 4.120 -0.001 0.000 0.310 324 V C -0.633 175.322 176.094 -0.232 0.000 1.090 324 V CA -0.720 61.401 62.300 -0.298 0.000 0.930 324 V CB 3.060 34.631 31.823 -0.419 0.000 1.014 324 V HN -0.009 nan 8.190 nan 0.000 0.425 325 M N 4.073 123.618 119.600 -0.093 0.000 2.224 325 M HA 0.492 4.972 4.480 -0.001 0.000 0.281 325 M C -0.441 175.886 176.300 0.044 0.000 1.025 325 M CA -0.207 55.025 55.300 -0.112 0.000 0.954 325 M CB 2.112 34.572 32.600 -0.233 0.000 1.639 325 M HN 0.952 nan 8.290 nan 0.000 0.461 326 T N 1.567 116.099 114.554 -0.038 0.000 2.918 326 T HA 0.838 5.188 4.350 -0.001 0.000 0.283 326 T C -0.524 174.229 174.700 0.089 0.000 1.001 326 T CA -0.476 61.587 62.100 -0.060 0.000 1.041 326 T CB 1.265 70.029 68.868 -0.173 0.000 1.028 326 T HN 0.570 nan 8.240 nan 0.000 0.511 327 F N -1.997 118.000 119.950 0.077 0.000 2.741 327 F HA 0.877 5.404 4.527 -0.001 0.000 0.313 327 F C -0.421 175.460 175.800 0.136 0.000 1.153 327 F CA -1.030 57.072 58.000 0.170 0.000 0.931 327 F CB 1.311 40.512 39.000 0.336 0.000 1.335 327 F HN 0.901 nan 8.300 nan 0.000 0.460 328 S N -0.354 115.587 115.700 0.402 0.000 2.764 328 S HA 0.488 4.957 4.470 -0.001 0.000 0.289 328 S C -0.594 174.128 174.600 0.203 0.000 1.235 328 S CA -0.059 58.289 58.200 0.247 0.000 1.081 328 S CB 0.305 63.553 63.200 0.079 0.000 1.319 328 S HN 1.039 nan 8.310 nan 0.000 0.492 329 K N 0.104 120.563 120.400 0.099 0.000 4.777 329 K HA -0.298 4.021 4.320 -0.001 0.000 0.247 329 K C 1.133 177.744 176.600 0.018 0.000 0.718 329 K CA 1.646 57.953 56.287 0.033 0.000 0.778 329 K CB -1.587 30.922 32.500 0.015 0.000 0.780 329 K HN 0.490 nan 8.250 nan 0.000 0.811 330 K N 0.701 121.100 120.400 -0.002 0.000 2.152 330 K HA 0.005 4.325 4.320 -0.001 0.000 0.206 330 K C 1.939 178.532 176.600 -0.012 0.000 1.048 330 K CA 1.957 58.215 56.287 -0.048 0.000 0.933 330 K CB -0.015 32.420 32.500 -0.109 0.000 0.721 330 K HN 0.245 nan 8.250 nan 0.000 0.447 331 M N 0.079 119.726 119.600 0.078 0.000 2.686 331 M HA 0.017 4.496 4.480 -0.001 0.000 0.246 331 M C 0.578 176.953 176.300 0.125 0.000 1.096 331 M CA 0.831 56.211 55.300 0.134 0.000 1.076 331 M CB -0.455 32.328 32.600 0.304 0.000 1.504 331 M HN 0.195 nan 8.290 nan 0.000 0.524 332 M N -2.726 116.923 119.600 0.082 0.000 2.828 332 M HA -0.229 4.250 4.480 -0.001 0.000 0.155 332 M C 0.854 177.198 176.300 0.073 0.000 0.686 332 M CA 2.157 57.489 55.300 0.054 0.000 0.593 332 M CB -2.355 30.267 32.600 0.037 0.000 2.171 332 M HN 0.385 nan 8.290 nan 0.000 0.262 333 T N 1.311 115.940 114.554 0.124 0.000 2.944 333 T HA 0.681 5.031 4.350 -0.001 0.000 0.284 333 T C 0.534 175.364 174.700 0.217 0.000 1.010 333 T CA 0.213 62.393 62.100 0.134 0.000 1.025 333 T CB 1.799 70.746 68.868 0.131 0.000 1.079 333 T HN 0.578 nan 8.240 nan 0.000 0.516 334 G N -0.106 108.738 108.800 0.073 0.000 2.532 334 G HA2 0.727 4.686 3.960 -0.001 0.000 0.291 334 G HA3 0.727 4.686 3.960 -0.001 0.000 0.291 334 G C 0.248 174.884 174.900 -0.439 0.000 1.349 334 G CA -0.175 44.841 45.100 -0.139 0.000 1.038 334 G HN 1.395 nan 8.290 nan 0.000 0.518 335 G N -2.119 106.159 108.800 -0.870 0.000 2.340 335 G HA2 0.528 4.488 3.960 -0.001 0.000 0.282 335 G HA3 0.528 4.488 3.960 -0.001 0.000 0.282 335 G C -1.223 173.130 174.900 -0.911 0.000 1.312 335 G CA -0.193 44.434 45.100 -0.788 0.000 0.942 335 G HN 1.824 nan 8.290 nan 0.000 0.495 336 F N -1.985 117.633 119.950 -0.553 0.000 2.622 336 F HA 0.774 5.300 4.527 -0.001 0.000 0.318 336 F C -0.919 174.867 175.800 -0.024 0.000 1.135 336 F CA -1.782 56.069 58.000 -0.249 0.000 1.015 336 F CB 0.677 39.530 39.000 -0.244 0.000 1.275 336 F HN 0.459 nan 8.300 nan 0.000 0.457 337 F N 2.252 122.349 119.950 0.245 0.000 2.406 337 F HA 0.646 5.172 4.527 -0.001 0.000 0.327 337 F C 0.551 176.482 175.800 0.218 0.000 1.153 337 F CA 0.314 58.379 58.000 0.108 0.000 1.218 337 F CB 0.804 39.777 39.000 -0.046 0.000 1.215 337 F HN 0.843 nan 8.300 nan 0.000 0.570 338 H N -2.375 116.785 119.070 0.150 0.000 2.987 338 H HA 0.436 4.992 4.556 -0.001 0.000 0.316 338 H C -1.594 173.755 175.328 0.035 0.000 1.380 338 H CA -1.579 54.484 56.048 0.024 0.000 1.160 338 H CB 0.785 30.576 29.762 0.049 0.000 1.865 338 H HN 0.381 nan 8.280 nan 0.000 0.521 339 K N -0.074 120.369 120.400 0.072 0.000 2.219 339 K HA 0.226 4.545 4.320 -0.001 0.000 0.258 339 K C 1.436 178.140 176.600 0.172 0.000 1.008 339 K CA 0.469 56.820 56.287 0.106 0.000 0.928 339 K CB 0.626 33.233 32.500 0.178 0.000 0.983 339 K HN 0.830 nan 8.250 nan 0.000 0.484 340 E N 2.168 122.429 120.200 0.102 0.000 2.130 340 E HA -0.275 4.074 4.350 -0.001 0.000 0.196 340 E C 1.677 178.378 176.600 0.168 0.000 0.998 340 E CA 2.146 58.604 56.400 0.097 0.000 0.806 340 E CB -0.859 28.877 29.700 0.060 0.000 0.738 340 E HN 0.833 nan 8.360 nan 0.000 0.459 341 E N -1.356 118.961 120.200 0.195 0.000 2.338 341 E HA -0.070 4.280 4.350 -0.001 0.000 0.197 341 E C 1.401 178.071 176.600 0.116 0.000 1.007 341 E CA 0.935 57.428 56.400 0.154 0.000 0.849 341 E CB -0.351 29.432 29.700 0.137 0.000 0.774 341 E HN 0.564 nan 8.360 nan 0.000 0.506 342 F N 1.460 121.492 119.950 0.135 0.000 2.797 342 F HA 0.196 4.723 4.527 -0.001 0.000 0.302 342 F C 1.225 177.189 175.800 0.274 0.000 1.130 342 F CA -0.254 57.833 58.000 0.146 0.000 1.387 342 F CB 0.055 39.059 39.000 0.007 0.000 1.107 342 F HN -0.134 nan 8.300 nan 0.000 0.577 343 R N 2.728 123.473 120.500 0.408 0.000 2.480 343 R HA 0.039 4.379 4.340 -0.001 0.000 0.303 343 R C -2.395 174.055 176.300 0.249 0.000 0.985 343 R CA -1.365 54.935 56.100 0.334 0.000 1.051 343 R CB -0.003 30.420 30.300 0.206 0.000 0.935 343 R HN -0.076 nan 8.270 nan 0.000 0.410 344 P HA -0.067 nan 4.420 nan 0.000 0.262 344 P C -0.132 177.257 177.300 0.149 0.000 1.182 344 P CA 0.031 63.248 63.100 0.194 0.000 0.761 344 P CB 0.526 32.337 31.700 0.185 0.000 0.795 345 N N 2.172 120.954 118.700 0.136 0.000 2.331 345 N HA -0.066 4.674 4.740 -0.001 0.000 0.180 345 N C 0.183 175.745 175.510 0.087 0.000 1.019 345 N CA 0.728 53.833 53.050 0.092 0.000 0.881 345 N CB -0.170 38.353 38.487 0.060 0.000 0.972 345 N HN 0.387 nan 8.380 nan 0.000 0.435 346 A N 0.391 123.281 122.820 0.116 0.000 2.515 346 A HA 0.679 4.998 4.320 -0.001 0.000 0.296 346 A C -2.685 174.951 177.584 0.087 0.000 1.094 346 A CA -1.423 50.679 52.037 0.109 0.000 0.718 346 A CB 1.387 20.482 19.000 0.158 0.000 1.307 346 A HN 0.114 nan 8.150 nan 0.000 0.408 347 P HA 0.329 nan 4.420 nan 0.000 0.274 347 P C -0.684 176.579 177.300 -0.062 0.000 1.256 347 P CA 0.302 63.322 63.100 -0.134 0.000 0.795 347 P CB 0.035 31.523 31.700 -0.354 0.000 1.038 348 Y N -2.672 117.610 120.300 -0.030 0.000 4.490 348 Y HA -0.260 4.289 4.550 -0.001 0.000 0.233 348 Y C 1.743 177.642 175.900 -0.001 0.000 1.101 348 Y CA 0.604 58.605 58.100 -0.166 0.000 2.010 348 Y CB -1.930 36.366 38.460 -0.273 0.000 1.622 348 Y HN 0.373 nan 8.280 nan 0.000 0.675 349 R N -0.167 120.438 120.500 0.176 0.000 2.102 349 R HA 0.241 4.581 4.340 -0.001 0.000 0.208 349 R C 0.260 176.683 176.300 0.205 0.000 1.131 349 R CA 0.325 56.531 56.100 0.177 0.000 1.054 349 R CB 0.533 30.938 30.300 0.174 0.000 0.954 349 R HN 0.001 nan 8.270 nan 0.000 0.465 350 I N 1.802 122.503 120.570 0.218 0.000 2.297 350 I HA 0.299 4.468 4.170 -0.001 0.000 0.291 350 I C -0.806 175.485 176.117 0.290 0.000 1.033 350 I CA -0.188 61.248 61.300 0.227 0.000 1.253 350 I CB 0.435 38.565 38.000 0.217 0.000 1.396 350 I HN 0.029 nan 8.210 nan 0.000 0.476 351 F N 6.419 126.413 119.950 0.074 0.000 2.725 351 F HA 0.409 4.936 4.527 -0.001 0.000 0.311 351 F C -1.175 174.655 175.800 0.050 0.000 1.121 351 F CA -0.626 57.409 58.000 0.058 0.000 0.978 351 F CB 1.471 40.527 39.000 0.093 0.000 1.274 351 F HN 0.653 nan 8.300 nan 0.000 0.440 352 N N 0.246 118.714 118.700 -0.387 0.000 3.308 352 N HA 0.345 5.085 4.740 -0.001 0.000 0.276 352 N C -0.464 174.791 175.510 -0.424 0.000 1.533 352 N CA -0.232 52.707 53.050 -0.185 0.000 0.878 352 N CB 0.997 39.440 38.487 -0.075 0.000 1.566 352 N HN 0.284 nan 8.380 nan 0.000 0.546 353 T N -1.033 113.356 114.554 -0.275 0.000 2.622 353 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 353 T C 0.277 174.801 174.700 -0.294 0.000 1.047 353 T CA 1.701 63.582 62.100 -0.366 0.000 1.159 353 T CB -0.264 68.191 68.868 -0.688 0.000 0.863 353 T HN 0.492 nan 8.240 nan 0.000 0.422 354 W N 0.137 121.350 121.300 -0.146 0.000 2.735 354 W HA 0.490 5.149 4.660 -0.001 0.000 0.264 354 W C 0.644 177.066 176.519 -0.161 0.000 1.233 354 W CA -0.558 56.708 57.345 -0.133 0.000 1.408 354 W CB -0.834 28.579 29.460 -0.079 0.000 1.038 354 W HN 0.118 nan 8.180 nan 0.000 0.603 355 L N 0.884 122.132 121.223 0.041 0.000 3.678 355 L HA -0.240 4.100 4.340 -0.001 0.000 0.425 355 L C 0.909 177.792 176.870 0.021 0.000 1.240 355 L CA 1.034 55.854 54.840 -0.033 0.000 0.876 355 L CB -1.906 40.071 42.059 -0.135 0.000 1.766 355 L HN 0.263 nan 8.230 nan 0.000 0.917 356 G N -0.926 107.910 108.800 0.060 0.000 2.466 356 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.218 356 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.218 356 G C -0.957 173.949 174.900 0.009 0.000 1.237 356 G CA 0.121 45.246 45.100 0.041 0.000 0.954 356 G HN 0.451 nan 8.290 nan 0.000 0.580 357 D N -0.456 119.937 120.400 -0.011 0.000 2.804 357 D HA 0.491 5.131 4.640 -0.001 0.000 0.209 357 D C -1.905 174.367 176.300 -0.047 0.000 1.314 357 D CA -0.990 52.962 54.000 -0.080 0.000 0.894 357 D CB 1.788 42.507 40.800 -0.135 0.000 1.615 357 D HN 0.030 nan 8.370 nan 0.000 0.571 358 P HA -0.138 nan 4.420 nan 0.000 0.218 358 P C 1.405 178.624 177.300 -0.134 0.000 1.148 358 P CA 1.346 64.427 63.100 -0.032 0.000 0.822 358 P CB 0.234 31.908 31.700 -0.043 0.000 0.784 359 S N -0.740 114.821 115.700 -0.232 0.000 2.383 359 S HA -0.161 4.309 4.470 -0.001 0.000 0.229 359 S C 1.846 176.344 174.600 -0.169 0.000 1.030 359 S CA 1.053 59.023 58.200 -0.383 0.000 1.002 359 S CB -0.846 62.094 63.200 -0.432 0.000 0.829 359 S HN 0.019 nan 8.310 nan 0.000 0.467 360 K N 1.984 122.338 120.400 -0.077 0.000 2.103 360 K HA 0.134 4.453 4.320 -0.001 0.000 0.204 360 K C 1.798 178.392 176.600 -0.010 0.000 1.052 360 K CA 1.008 57.285 56.287 -0.017 0.000 0.945 360 K CB -0.913 31.588 32.500 0.002 0.000 0.722 360 K HN 0.409 nan 8.250 nan 0.000 0.443 361 N N 1.440 120.131 118.700 -0.016 0.000 2.166 361 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 361 N C 1.742 177.229 175.510 -0.039 0.000 1.019 361 N CA 0.614 53.654 53.050 -0.018 0.000 0.856 361 N CB -0.434 38.048 38.487 -0.009 0.000 0.993 361 N HN 0.065 nan 8.380 nan 0.000 0.426 362 L N 0.881 122.065 121.223 -0.066 0.000 2.042 362 L HA -0.046 4.294 4.340 -0.001 0.000 0.210 362 L C 1.853 178.707 176.870 -0.027 0.000 1.076 362 L CA 1.410 56.209 54.840 -0.068 0.000 0.749 362 L CB -0.528 41.446 42.059 -0.142 0.000 0.893 362 L HN 0.116 nan 8.230 nan 0.000 0.432 363 L N -1.312 119.908 121.223 -0.006 0.000 2.056 363 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 363 L C 2.502 179.368 176.870 -0.006 0.000 1.078 363 L CA 1.045 55.898 54.840 0.021 0.000 0.749 363 L CB -0.757 41.332 42.059 0.049 0.000 0.901 363 L HN 0.359 nan 8.230 nan 0.000 0.433 364 L N 0.408 121.626 121.223 -0.008 0.000 2.083 364 L HA -0.132 4.208 4.340 -0.001 0.000 0.209 364 L C 2.637 179.491 176.870 -0.027 0.000 1.083 364 L CA 1.883 56.717 54.840 -0.011 0.000 0.752 364 L CB -0.668 41.394 42.059 0.005 0.000 0.899 364 L HN 0.142 nan 8.230 nan 0.000 0.433 365 A N -0.685 122.114 122.820 -0.035 0.000 1.908 365 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 365 A C 2.271 179.829 177.584 -0.044 0.000 1.181 365 A CA 1.878 53.888 52.037 -0.045 0.000 0.627 365 A CB -0.731 18.241 19.000 -0.046 0.000 0.818 365 A HN 0.540 nan 8.150 nan 0.000 0.445 366 E N -0.242 119.935 120.200 -0.037 0.000 2.072 366 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 366 E C 1.856 178.410 176.600 -0.077 0.000 0.985 366 E CA 1.274 57.647 56.400 -0.046 0.000 0.801 366 E CB -0.405 29.277 29.700 -0.030 0.000 0.750 366 E HN 0.237 nan 8.360 nan 0.000 0.452 367 V N 0.696 120.564 119.914 -0.077 0.000 2.287 367 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 367 V C 2.374 178.428 176.094 -0.066 0.000 1.053 367 V CA 1.933 64.174 62.300 -0.099 0.000 1.027 367 V CB -0.426 31.353 31.823 -0.073 0.000 0.646 367 V HN 0.327 nan 8.190 nan 0.000 0.447 368 I N 0.208 120.758 120.570 -0.034 0.000 2.315 368 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 368 I C 2.486 178.580 176.117 -0.039 0.000 1.117 368 I CA 1.709 63.000 61.300 -0.015 0.000 1.404 368 I CB -0.508 37.459 38.000 -0.055 0.000 1.071 368 I HN 0.460 nan 8.210 nan 0.000 0.419 369 N N 1.438 120.108 118.700 -0.051 0.000 2.120 369 N HA -0.204 4.536 4.740 -0.001 0.000 0.188 369 N C 1.975 177.461 175.510 -0.041 0.000 1.024 369 N CA 1.288 54.311 53.050 -0.046 0.000 0.852 369 N CB 0.177 38.640 38.487 -0.041 0.000 1.003 369 N HN 0.176 nan 8.380 nan 0.000 0.424 370 I N 1.619 122.153 120.570 -0.060 0.000 2.252 370 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 370 I C 2.350 178.445 176.117 -0.037 0.000 1.102 370 I CA 0.796 62.059 61.300 -0.061 0.000 1.385 370 I CB -0.946 36.958 38.000 -0.160 0.000 1.064 370 I HN 0.206 nan 8.210 nan 0.000 0.414 371 I N 0.729 121.277 120.570 -0.038 0.000 2.208 371 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 371 I C 2.507 178.621 176.117 -0.005 0.000 1.097 371 I CA 1.501 62.791 61.300 -0.016 0.000 1.363 371 I CB -0.258 37.750 38.000 0.013 0.000 1.051 371 I HN 0.216 nan 8.210 nan 0.000 0.413 372 K N 0.336 120.728 120.400 -0.012 0.000 2.076 372 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 372 K C 2.636 179.227 176.600 -0.015 0.000 1.051 372 K CA 1.332 57.608 56.287 -0.019 0.000 0.949 372 K CB -0.246 32.231 32.500 -0.039 0.000 0.726 372 K HN 0.263 nan 8.250 nan 0.000 0.443 373 R N 1.747 122.240 120.500 -0.012 0.000 2.092 373 R HA -0.061 4.278 4.340 -0.001 0.000 0.231 373 R C 1.702 178.006 176.300 0.006 0.000 1.119 373 R CA 1.382 57.480 56.100 -0.004 0.000 0.970 373 R CB -0.736 29.564 30.300 -0.001 0.000 0.864 373 R HN 0.122 nan 8.270 nan 0.000 0.440 374 E N 0.151 120.358 120.200 0.011 0.000 2.479 374 E HA 0.031 4.381 4.350 -0.001 0.000 0.193 374 E C -0.417 176.193 176.600 0.018 0.000 1.049 374 E CA 0.385 56.799 56.400 0.023 0.000 0.870 374 E CB 0.003 29.728 29.700 0.041 0.000 0.944 374 E HN 0.598 nan 8.360 nan 0.000 0.492 375 D N 0.056 120.461 120.400 0.007 0.000 2.723 375 D HA -0.200 4.439 4.640 -0.001 0.000 0.236 375 D C 0.563 176.869 176.300 0.010 0.000 1.138 375 D CA 0.235 54.237 54.000 0.004 0.000 0.676 375 D CB -1.247 39.554 40.800 0.002 0.000 1.069 375 D HN 0.222 nan 8.370 nan 0.000 0.430 376 L N -0.410 120.817 121.223 0.006 0.000 2.291 376 L HA -0.055 4.284 4.340 -0.001 0.000 0.214 376 L C 2.474 179.341 176.870 -0.004 0.000 1.120 376 L CA 0.389 55.233 54.840 0.006 0.000 0.799 376 L CB -0.304 41.749 42.059 -0.009 0.000 0.925 376 L HN 0.332 nan 8.230 nan 0.000 0.446 377 L N -0.824 120.390 121.223 -0.014 0.000 1.994 377 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 377 L C 2.703 179.582 176.870 0.014 0.000 1.071 377 L CA 1.302 56.129 54.840 -0.021 0.000 0.745 377 L CB -0.647 41.398 42.059 -0.024 0.000 0.892 377 L HN 0.172 nan 8.230 nan 0.000 0.431 378 S N -0.100 115.612 115.700 0.020 0.000 2.399 378 S HA -0.192 4.278 4.470 -0.001 0.000 0.231 378 S C 1.706 176.345 174.600 0.066 0.000 1.022 378 S CA 1.655 59.877 58.200 0.037 0.000 0.983 378 S CB -0.477 62.733 63.200 0.017 0.000 0.803 378 S HN 0.441 nan 8.310 nan 0.000 0.480 379 N N 1.789 120.526 118.700 0.063 0.000 2.166 379 N HA -0.055 4.684 4.740 -0.001 0.000 0.186 379 N C 1.591 177.176 175.510 0.125 0.000 1.019 379 N CA 1.286 54.398 53.050 0.104 0.000 0.856 379 N CB -0.359 38.176 38.487 0.081 0.000 0.993 379 N HN 0.338 nan 8.380 nan 0.000 0.426 380 A N 0.169 123.042 122.820 0.088 0.000 1.930 380 A HA 0.110 4.429 4.320 -0.001 0.000 0.217 380 A C 2.327 179.966 177.584 0.093 0.000 1.175 380 A CA 1.614 53.706 52.037 0.091 0.000 0.627 380 A CB -1.144 17.881 19.000 0.041 0.000 0.815 380 A HN 0.439 nan 8.150 nan 0.000 0.443 381 A N -0.810 122.064 122.820 0.090 0.000 1.902 381 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 381 A C 2.042 179.692 177.584 0.110 0.000 1.181 381 A CA 2.139 54.229 52.037 0.088 0.000 0.623 381 A CB -0.793 18.259 19.000 0.086 0.000 0.818 381 A HN 0.779 nan 8.150 nan 0.000 0.443 382 H N -0.257 118.831 119.070 0.029 0.000 2.307 382 H HA 0.175 4.731 4.556 -0.001 0.000 0.303 382 H C 2.152 177.488 175.328 0.014 0.000 1.073 382 H CA 1.913 57.974 56.048 0.020 0.000 1.338 382 H CB -0.388 29.384 29.762 0.017 0.000 1.389 382 H HN 0.332 nan 8.280 nan 0.000 0.503 383 A N 0.096 122.865 122.820 -0.084 0.000 1.972 383 A HA -0.040 4.280 4.320 -0.001 0.000 0.219 383 A C 2.632 180.207 177.584 -0.015 0.000 1.169 383 A CA 1.447 53.394 52.037 -0.150 0.000 0.635 383 A CB -1.372 17.607 19.000 -0.034 0.000 0.810 383 A HN 0.629 nan 8.150 nan 0.000 0.446 384 G N -0.621 108.208 108.800 0.047 0.000 2.408 384 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 384 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 384 G C 1.663 176.541 174.900 -0.036 0.000 1.150 384 G CA 1.098 46.212 45.100 0.023 0.000 0.776 384 G HN 0.547 nan 8.290 nan 0.000 0.542 385 K N -0.218 120.153 120.400 -0.049 0.000 2.057 385 K HA -0.001 4.319 4.320 -0.001 0.000 0.206 385 K C 2.633 179.175 176.600 -0.096 0.000 1.050 385 K CA 0.949 57.204 56.287 -0.054 0.000 0.935 385 K CB -0.170 32.317 32.500 -0.022 0.000 0.715 385 K HN 0.194 nan 8.250 nan 0.000 0.439 386 V N 1.518 121.322 119.914 -0.183 0.000 2.343 386 V HA -0.249 3.871 4.120 -0.001 0.000 0.247 386 V C 2.174 178.161 176.094 -0.178 0.000 1.051 386 V CA 1.428 63.598 62.300 -0.218 0.000 1.036 386 V CB -0.424 31.172 31.823 -0.377 0.000 0.654 386 V HN 0.315 nan 8.190 nan 0.000 0.451 387 L N -0.122 121.015 121.223 -0.143 0.000 1.989 387 L HA -0.172 4.168 4.340 -0.001 0.000 0.211 387 L C 2.225 179.011 176.870 -0.140 0.000 1.071 387 L CA 2.093 56.854 54.840 -0.133 0.000 0.749 387 L CB -0.779 41.186 42.059 -0.156 0.000 0.890 387 L HN 0.284 nan 8.230 nan 0.000 0.431 388 L N -1.078 120.073 121.223 -0.119 0.000 2.093 388 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 388 L C 2.333 179.178 176.870 -0.041 0.000 1.085 388 L CA 2.259 57.049 54.840 -0.083 0.000 0.755 388 L CB -0.894 41.133 42.059 -0.053 0.000 0.904 388 L HN 0.344 nan 8.230 nan 0.000 0.435 389 T N -0.727 113.808 114.554 -0.033 0.000 2.746 389 T HA -0.128 4.221 4.350 -0.001 0.000 0.267 389 T C 1.651 176.356 174.700 0.010 0.000 1.039 389 T CA 1.305 63.403 62.100 -0.004 0.000 1.142 389 T CB -0.761 68.108 68.868 0.001 0.000 0.866 389 T HN 0.603 nan 8.240 nan 0.000 0.444 390 G N 0.996 109.797 108.800 0.003 0.000 2.408 390 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.217 390 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.217 390 G C 1.494 176.419 174.900 0.042 0.000 1.150 390 G CA 0.333 45.456 45.100 0.039 0.000 0.776 390 G HN 0.437 nan 8.290 nan 0.000 0.542 391 L N -0.150 121.078 121.223 0.009 0.000 2.093 391 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 391 L C 2.843 179.707 176.870 -0.011 0.000 1.085 391 L CA 0.435 55.266 54.840 -0.015 0.000 0.755 391 L CB -0.334 41.697 42.059 -0.047 0.000 0.904 391 L HN 0.173 nan 8.230 nan 0.000 0.435 392 L N -0.355 120.872 121.223 0.006 0.000 2.083 392 L HA -0.237 4.102 4.340 -0.001 0.000 0.209 392 L C 2.211 179.100 176.870 0.030 0.000 1.083 392 L CA 1.329 56.182 54.840 0.021 0.000 0.752 392 L CB -0.489 41.586 42.059 0.026 0.000 0.899 392 L HN 0.295 nan 8.230 nan 0.000 0.433 393 D N 0.262 120.684 120.400 0.036 0.000 2.097 393 D HA -0.188 4.451 4.640 -0.001 0.000 0.195 393 D C 2.279 178.616 176.300 0.061 0.000 0.989 393 D CA 1.257 55.283 54.000 0.044 0.000 0.827 393 D CB 0.005 40.836 40.800 0.052 0.000 0.966 393 D HN 0.178 nan 8.370 nan 0.000 0.456 394 L N 0.024 121.300 121.223 0.088 0.000 2.131 394 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 394 L C 2.665 179.630 176.870 0.159 0.000 1.092 394 L CA 1.092 56.033 54.840 0.168 0.000 0.759 394 L CB -0.544 41.606 42.059 0.152 0.000 0.903 394 L HN 0.253 nan 8.230 nan 0.000 0.435 395 Q N 0.266 120.105 119.800 0.065 0.000 2.084 395 Q HA -0.225 4.115 4.340 -0.001 0.000 0.202 395 Q C 2.275 178.306 176.000 0.052 0.000 0.978 395 Q CA 1.847 57.684 55.803 0.057 0.000 0.844 395 Q CB -0.068 28.689 28.738 0.032 0.000 0.898 395 Q HN 0.494 nan 8.270 nan 0.000 0.426 396 A N 0.514 123.352 122.820 0.030 0.000 1.969 396 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 396 A C 1.993 179.543 177.584 -0.056 0.000 1.169 396 A CA 1.434 53.470 52.037 -0.001 0.000 0.635 396 A CB -0.279 18.721 19.000 -0.000 0.000 0.810 396 A HN 0.338 nan 8.150 nan 0.000 0.445 397 R N -2.703 117.743 120.500 -0.089 0.000 2.210 397 R HA 0.110 4.450 4.340 -0.001 0.000 0.203 397 R C -0.462 175.492 176.300 -0.577 0.000 1.010 397 R CA 0.663 56.569 56.100 -0.323 0.000 1.008 397 R CB 0.080 30.166 30.300 -0.357 0.000 0.923 397 R HN 0.594 nan 8.270 nan 0.000 0.469 398 Y N -0.438 119.865 120.300 0.005 0.000 2.477 398 Y HA 0.256 4.805 4.550 -0.001 0.000 0.340 398 Y C -1.867 174.010 175.900 -0.038 0.000 0.987 398 Y CA -1.989 56.106 58.100 -0.008 0.000 1.127 398 Y CB 1.453 39.986 38.460 0.123 0.000 1.139 398 Y HN -0.020 nan 8.280 nan 0.000 0.637 399 P HA -0.201 nan 4.420 nan 0.000 0.226 399 P C 1.185 178.473 177.300 -0.021 0.000 1.153 399 P CA 1.223 64.333 63.100 0.018 0.000 0.777 399 P CB 0.418 32.115 31.700 -0.005 0.000 0.794 400 Q N -0.568 119.136 119.800 -0.160 0.000 2.369 400 Q HA -0.065 4.274 4.340 -0.001 0.000 0.206 400 Q C 1.286 177.137 176.000 -0.248 0.000 0.963 400 Q CA 1.294 56.917 55.803 -0.300 0.000 0.894 400 Q CB -0.855 27.561 28.738 -0.537 0.000 0.965 400 Q HN 0.332 nan 8.270 nan 0.000 0.475 401 F N -0.002 120.054 119.950 0.177 0.000 2.711 401 F HA 0.355 4.882 4.527 -0.001 0.000 0.296 401 F C 0.703 176.605 175.800 0.170 0.000 1.096 401 F CA -0.716 57.384 58.000 0.165 0.000 1.280 401 F CB 0.936 40.003 39.000 0.113 0.000 1.060 401 F HN -0.120 nan 8.300 nan 0.000 0.608 402 I N 1.389 122.134 120.570 0.293 0.000 2.406 402 I HA 0.378 4.547 4.170 -0.001 0.000 0.290 402 I C -0.146 176.072 176.117 0.168 0.000 0.999 402 I CA -0.577 60.848 61.300 0.209 0.000 1.124 402 I CB 1.177 39.200 38.000 0.039 0.000 1.289 402 I HN 0.001 nan 8.210 nan 0.000 0.441 403 S N 4.930 120.750 115.700 0.200 0.000 2.607 403 S HA 0.686 5.156 4.470 -0.001 0.000 0.273 403 S C -0.219 174.447 174.600 0.110 0.000 1.148 403 S CA -0.949 57.334 58.200 0.139 0.000 0.833 403 S CB 2.374 65.651 63.200 0.129 0.000 1.130 403 S HN 0.647 nan 8.310 nan 0.000 0.470 404 R N -0.353 120.166 120.500 0.032 0.000 3.422 404 R HA -0.108 4.232 4.340 -0.001 0.000 0.267 404 R C -0.593 175.531 176.300 -0.294 0.000 1.074 404 R CA 0.532 56.513 56.100 -0.199 0.000 0.718 404 R CB -2.487 27.715 30.300 -0.162 0.000 1.157 404 R HN 0.557 nan 8.270 nan 0.000 0.440 405 V N 1.949 121.802 119.914 -0.102 0.000 2.557 405 V HA 0.031 4.150 4.120 -0.001 0.000 0.301 405 V C 1.100 177.089 176.094 -0.175 0.000 1.026 405 V CA 0.876 63.156 62.300 -0.035 0.000 1.137 405 V CB 0.320 32.152 31.823 0.015 0.000 0.917 405 V HN 0.383 nan 8.190 nan 0.000 0.484 406 R N 3.674 124.090 120.500 -0.140 0.000 2.734 406 R HA 0.871 5.210 4.340 -0.001 0.000 0.271 406 R C -0.417 175.817 176.300 -0.109 0.000 1.021 406 R CA -0.570 55.413 56.100 -0.195 0.000 0.893 406 R CB 2.253 32.314 30.300 -0.399 0.000 1.244 406 R HN 0.918 nan 8.270 nan 0.000 0.464 407 G N 0.582 109.278 108.800 -0.174 0.000 2.325 407 G HA2 0.392 4.351 3.960 -0.001 0.000 0.297 407 G HA3 0.392 4.351 3.960 -0.001 0.000 0.297 407 G C -1.967 172.960 174.900 0.045 0.000 1.448 407 G CA -1.023 44.081 45.100 0.007 0.000 0.838 407 G HN 0.609 nan 8.290 nan 0.000 0.579 408 R N -0.121 120.490 120.500 0.185 0.000 2.533 408 R HA 0.575 4.915 4.340 -0.001 0.000 0.288 408 R C 0.831 177.196 176.300 0.107 0.000 1.039 408 R CA 0.757 56.914 56.100 0.095 0.000 0.909 408 R CB 1.482 31.827 30.300 0.076 0.000 1.195 408 R HN 2.411 nan 8.270 nan 0.000 0.438 409 G N 1.442 110.272 108.800 0.051 0.000 2.582 409 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.288 409 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.288 409 G C 0.712 175.650 174.900 0.063 0.000 1.247 409 G CA 0.642 45.781 45.100 0.065 0.000 0.972 409 G HN 0.767 nan 8.290 nan 0.000 0.557 410 T N -2.310 112.279 114.554 0.058 0.000 3.148 410 T HA 0.316 4.666 4.350 -0.001 0.000 0.253 410 T C 1.226 175.921 174.700 -0.007 0.000 1.134 410 T CA 1.093 63.175 62.100 -0.030 0.000 1.051 410 T CB -0.021 68.776 68.868 -0.118 0.000 0.959 410 T HN 0.641 nan 8.240 nan 0.000 0.525 411 F N 2.720 122.652 119.950 -0.031 0.000 2.678 411 F HA 0.370 4.897 4.527 -0.001 0.000 0.358 411 F C 0.012 175.864 175.800 0.086 0.000 1.256 411 F CA -0.942 57.072 58.000 0.023 0.000 1.278 411 F CB -0.819 38.209 39.000 0.046 0.000 1.681 411 F HN 0.247 nan 8.300 nan 0.000 0.661 412 C N 0.942 120.304 119.300 0.104 0.000 2.505 412 C HA 0.890 5.350 4.460 -0.001 0.000 0.358 412 C C -0.064 175.059 174.990 0.222 0.000 1.226 412 C CA -0.424 58.666 59.018 0.119 0.000 1.900 412 C CB 1.467 29.149 27.740 -0.097 0.000 2.306 412 C HN 0.726 nan 8.230 nan 0.000 0.512 413 S N 0.125 115.956 115.700 0.219 0.000 2.615 413 S HA 0.859 5.329 4.470 -0.001 0.000 0.268 413 S C -1.206 173.533 174.600 0.231 0.000 1.146 413 S CA -0.725 57.576 58.200 0.169 0.000 0.818 413 S CB 1.117 64.342 63.200 0.041 0.000 1.111 413 S HN 1.351 nan 8.310 nan 0.000 0.465 414 F N -1.103 118.877 119.950 0.049 0.000 2.713 414 F HA 0.854 5.381 4.527 -0.001 0.000 0.311 414 F C -1.705 174.104 175.800 0.015 0.000 1.141 414 F CA -0.948 57.061 58.000 0.016 0.000 0.939 414 F CB 0.396 39.434 39.000 0.063 0.000 1.325 414 F HN 0.465 nan 8.300 nan 0.000 0.453 415 D N 0.721 121.255 120.400 0.223 0.000 2.217 415 D HA 0.552 5.192 4.640 -0.001 0.000 0.248 415 D C -0.190 176.278 176.300 0.280 0.000 1.008 415 D CA -0.097 53.983 54.000 0.134 0.000 0.914 415 D CB 2.017 42.877 40.800 0.101 0.000 1.182 415 D HN 0.840 nan 8.370 nan 0.000 0.451 416 T N -2.630 112.031 114.554 0.179 0.000 2.940 416 T HA 0.509 4.858 4.350 -0.001 0.000 0.288 416 T C -2.113 172.690 174.700 0.172 0.000 1.045 416 T CA -1.855 60.380 62.100 0.226 0.000 1.018 416 T CB 1.846 70.823 68.868 0.183 0.000 1.151 416 T HN -0.064 nan 8.240 nan 0.000 0.529 417 P HA 0.115 nan 4.420 nan 0.000 0.220 417 P C -0.268 177.104 177.300 0.120 0.000 1.148 417 P CA 1.135 64.331 63.100 0.161 0.000 0.803 417 P CB -0.111 31.709 31.700 0.199 0.000 0.782 418 D N -3.962 116.507 120.400 0.114 0.000 2.671 418 D HA 0.042 4.681 4.640 -0.001 0.000 0.273 418 D C 0.554 176.891 176.300 0.061 0.000 1.264 418 D CA -0.821 53.227 54.000 0.079 0.000 0.788 418 D CB 0.049 40.895 40.800 0.077 0.000 1.324 418 D HN -0.171 nan 8.370 nan 0.000 0.424 419 E N -0.159 120.064 120.200 0.038 0.000 2.160 419 E HA -0.252 4.097 4.350 -0.001 0.000 0.195 419 E C 1.353 177.965 176.600 0.021 0.000 0.991 419 E CA 1.680 58.091 56.400 0.017 0.000 0.810 419 E CB 0.074 29.780 29.700 0.010 0.000 0.742 419 E HN 0.361 nan 8.360 nan 0.000 0.466 420 S N -0.238 115.486 115.700 0.041 0.000 2.371 420 S HA -0.071 4.398 4.470 -0.001 0.000 0.224 420 S C 1.926 176.570 174.600 0.074 0.000 1.029 420 S CA 0.835 59.063 58.200 0.048 0.000 0.978 420 S CB -0.177 63.055 63.200 0.052 0.000 0.833 420 S HN 0.334 nan 8.310 nan 0.000 0.466 421 I N 1.291 121.927 120.570 0.111 0.000 2.394 421 I HA -0.086 4.083 4.170 -0.001 0.000 0.251 421 I C 2.928 179.067 176.117 0.037 0.000 1.136 421 I CA 0.777 62.171 61.300 0.156 0.000 1.425 421 I CB -0.337 37.802 38.000 0.233 0.000 1.079 421 I HN 0.255 nan 8.210 nan 0.000 0.425 422 R N 1.485 121.997 120.500 0.021 0.000 2.080 422 R HA -0.181 4.159 4.340 -0.001 0.000 0.236 422 R C 1.882 178.144 176.300 -0.064 0.000 1.137 422 R CA 1.906 57.986 56.100 -0.034 0.000 0.943 422 R CB -0.634 29.636 30.300 -0.051 0.000 0.846 422 R HN 0.348 nan 8.270 nan 0.000 0.431 423 N N 0.590 119.263 118.700 -0.046 0.000 2.244 423 N HA -0.142 4.598 4.740 -0.001 0.000 0.183 423 N C 1.739 177.222 175.510 -0.044 0.000 1.016 423 N CA 1.095 54.109 53.050 -0.059 0.000 0.866 423 N CB -0.321 38.141 38.487 -0.041 0.000 0.980 423 N HN 0.101 nan 8.380 nan 0.000 0.430 424 K N 0.978 121.374 120.400 -0.007 0.000 2.057 424 K HA 0.102 4.421 4.320 -0.001 0.000 0.206 424 K C 2.244 178.816 176.600 -0.047 0.000 1.050 424 K CA 0.422 56.723 56.287 0.022 0.000 0.935 424 K CB -0.623 31.964 32.500 0.145 0.000 0.715 424 K HN 0.230 nan 8.250 nan 0.000 0.439 425 L N 0.046 121.186 121.223 -0.138 0.000 2.093 425 L HA 0.009 4.349 4.340 -0.001 0.000 0.208 425 L C 2.518 179.383 176.870 -0.009 0.000 1.085 425 L CA 1.345 56.080 54.840 -0.174 0.000 0.755 425 L CB -0.356 41.602 42.059 -0.168 0.000 0.904 425 L HN 0.240 nan 8.230 nan 0.000 0.435 426 I N -0.995 119.546 120.570 -0.048 0.000 2.226 426 I HA -0.318 3.852 4.170 -0.001 0.000 0.245 426 I C 2.809 178.892 176.117 -0.057 0.000 1.100 426 I CA 1.507 62.760 61.300 -0.078 0.000 1.374 426 I CB -0.233 37.668 38.000 -0.165 0.000 1.057 426 I HN 0.237 nan 8.210 nan 0.000 0.413 427 S N 0.900 116.566 115.700 -0.058 0.000 2.383 427 S HA -0.103 4.366 4.470 -0.001 0.000 0.227 427 S C 2.042 176.630 174.600 -0.021 0.000 1.026 427 S CA 0.879 59.052 58.200 -0.045 0.000 0.981 427 S CB -0.049 63.127 63.200 -0.039 0.000 0.818 427 S HN 0.222 nan 8.310 nan 0.000 0.472 428 I N 2.273 122.833 120.570 -0.016 0.000 2.202 428 I HA -0.042 4.128 4.170 -0.001 0.000 0.242 428 I C 2.930 179.053 176.117 0.010 0.000 1.091 428 I CA 1.280 62.573 61.300 -0.013 0.000 1.368 428 I CB -2.034 35.940 38.000 -0.044 0.000 1.058 428 I HN 0.374 nan 8.210 nan 0.000 0.410 429 A N 0.896 123.748 122.820 0.054 0.000 1.883 429 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 429 A C 2.568 180.203 177.584 0.086 0.000 1.186 429 A CA 1.813 53.929 52.037 0.132 0.000 0.624 429 A CB -0.744 18.400 19.000 0.239 0.000 0.822 429 A HN 0.326 nan 8.150 nan 0.000 0.444 430 R N -0.408 120.117 120.500 0.041 0.000 2.091 430 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 430 R C 1.501 177.795 176.300 -0.011 0.000 1.136 430 R CA 1.770 57.881 56.100 0.018 0.000 0.959 430 R CB -0.331 29.969 30.300 0.000 0.000 0.856 430 R HN 0.515 nan 8.270 nan 0.000 0.437 431 N N 0.530 119.220 118.700 -0.016 0.000 2.381 431 N HA -0.091 4.648 4.740 -0.001 0.000 0.182 431 N C 0.945 176.448 175.510 -0.012 0.000 1.025 431 N CA 0.863 53.896 53.050 -0.028 0.000 0.888 431 N CB 0.087 38.559 38.487 -0.026 0.000 0.965 431 N HN 0.128 nan 8.380 nan 0.000 0.438 432 K N -0.379 120.030 120.400 0.014 0.000 2.404 432 K HA 0.189 4.509 4.320 -0.001 0.000 0.194 432 K C 0.710 177.344 176.600 0.056 0.000 1.023 432 K CA 0.186 56.491 56.287 0.029 0.000 1.094 432 K CB 0.520 33.041 32.500 0.036 0.000 0.841 432 K HN 0.233 nan 8.250 nan 0.000 0.523 433 G N 0.654 109.488 108.800 0.057 0.000 2.143 433 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.175 433 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.175 433 G C -0.294 174.689 174.900 0.139 0.000 1.004 433 G CA -0.195 44.956 45.100 0.086 0.000 0.671 433 G HN 0.050 nan 8.290 nan 0.000 0.512 434 V N 1.709 121.706 119.914 0.139 0.000 2.447 434 V HA 0.524 4.643 4.120 -0.001 0.000 0.292 434 V C 0.507 176.667 176.094 0.110 0.000 1.021 434 V CA -0.724 61.678 62.300 0.172 0.000 0.850 434 V CB 1.716 33.715 31.823 0.294 0.000 1.005 434 V HN 0.329 nan 8.190 nan 0.000 0.426 435 M N 6.033 125.686 119.600 0.090 0.000 2.220 435 M HA 0.436 4.916 4.480 -0.001 0.000 0.343 435 M C -0.796 175.465 176.300 -0.065 0.000 1.470 435 M CA 0.281 55.620 55.300 0.064 0.000 1.161 435 M CB 0.383 33.075 32.600 0.153 0.000 1.737 435 M HN 0.497 nan 8.290 nan 0.000 0.464 436 L N 1.940 123.050 121.223 -0.188 0.000 2.313 436 L HA 0.867 5.206 4.340 -0.001 0.000 0.268 436 L C 0.579 177.078 176.870 -0.619 0.000 1.010 436 L CA -0.918 53.663 54.840 -0.432 0.000 0.814 436 L CB 1.948 43.718 42.059 -0.482 0.000 1.304 436 L HN 0.644 nan 8.230 nan 0.000 0.441 437 G N -0.795 107.498 108.800 -0.846 0.000 2.454 437 G HA2 0.653 4.612 3.960 -0.001 0.000 0.329 437 G HA3 0.653 4.612 3.960 -0.001 0.000 0.329 437 G C -0.851 173.639 174.900 -0.683 0.000 1.177 437 G CA -0.536 43.859 45.100 -1.174 0.000 0.951 437 G HN 0.737 nan 8.290 nan 0.000 0.485 438 G N -1.628 106.862 108.800 -0.517 0.000 2.454 438 G HA2 0.645 4.604 3.960 -0.001 0.000 0.329 438 G HA3 0.645 4.604 3.960 -0.001 0.000 0.329 438 G C -0.343 174.424 174.900 -0.221 0.000 1.177 438 G CA -0.112 44.791 45.100 -0.329 0.000 0.951 438 G HN 1.533 nan 8.290 nan 0.000 0.485 439 C N -1.004 118.191 119.300 -0.176 0.000 3.288 439 C HA 0.991 5.451 4.460 -0.001 0.000 0.318 439 C C 1.079 176.026 174.990 -0.071 0.000 1.356 439 C CA 0.138 59.094 59.018 -0.104 0.000 1.359 439 C CB 1.114 28.795 27.740 -0.097 0.000 1.688 439 C HN 2.528 nan 8.230 nan 0.000 0.467 440 G N 1.994 110.778 108.800 -0.026 0.000 2.575 440 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.267 440 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.267 440 G C -0.160 174.733 174.900 -0.013 0.000 1.264 440 G CA 1.134 46.232 45.100 -0.004 0.000 0.935 440 G HN 1.038 nan 8.290 nan 0.000 0.568 441 D N 0.428 120.825 120.400 -0.005 0.000 2.216 441 D HA 0.174 4.813 4.640 -0.001 0.000 0.208 441 D C 1.731 178.021 176.300 -0.016 0.000 0.960 441 D CA 1.441 55.437 54.000 -0.007 0.000 0.861 441 D CB 0.042 40.847 40.800 0.008 0.000 0.985 441 D HN 0.735 nan 8.370 nan 0.000 0.493 442 K N -0.446 119.942 120.400 -0.020 0.000 2.665 442 K HA 0.355 4.675 4.320 -0.001 0.000 0.194 442 K C -0.582 175.981 176.600 -0.061 0.000 1.135 442 K CA -0.359 55.915 56.287 -0.022 0.000 1.089 442 K CB 0.841 33.354 32.500 0.021 0.000 0.817 442 K HN -0.170 nan 8.250 nan 0.000 0.506 443 S N 1.457 117.090 115.700 -0.111 0.000 2.565 443 S HA 0.528 4.997 4.470 -0.001 0.000 0.290 443 S C -0.119 174.272 174.600 -0.348 0.000 1.150 443 S CA -0.703 57.374 58.200 -0.203 0.000 1.058 443 S CB 1.262 64.378 63.200 -0.139 0.000 1.032 443 S HN 0.220 nan 8.310 nan 0.000 0.510 444 I N 3.120 123.315 120.570 -0.625 0.000 2.412 444 I HA 0.514 4.683 4.170 -0.001 0.000 0.296 444 I C 0.326 176.006 176.117 -0.728 0.000 0.987 444 I CA -0.682 60.156 61.300 -0.770 0.000 1.180 444 I CB 1.279 38.636 38.000 -1.073 0.000 1.340 444 I HN 0.581 nan 8.210 nan 0.000 0.455 445 R N 4.765 124.869 120.500 -0.661 0.000 2.854 445 R HA 0.641 4.980 4.340 -0.001 0.000 0.271 445 R C -2.107 173.762 176.300 -0.720 0.000 0.994 445 R CA -0.594 55.214 56.100 -0.488 0.000 0.945 445 R CB 1.829 31.936 30.300 -0.321 0.000 1.194 445 R HN 0.279 nan 8.270 nan 0.000 0.476 446 F N 0.842 120.571 119.950 -0.368 0.000 2.493 446 F HA 0.529 5.056 4.527 -0.001 0.000 0.329 446 F C 0.270 175.811 175.800 -0.433 0.000 1.126 446 F CA -0.911 56.846 58.000 -0.404 0.000 0.937 446 F CB 2.001 40.736 39.000 -0.442 0.000 1.146 446 F HN 0.294 nan 8.300 nan 0.000 0.442 447 R N 2.804 123.165 120.500 -0.232 0.000 2.644 447 R HA 0.304 4.644 4.340 -0.001 0.000 0.271 447 R C -3.068 173.068 176.300 -0.273 0.000 1.687 447 R CA -1.811 54.118 56.100 -0.285 0.000 1.655 447 R CB 0.758 30.889 30.300 -0.281 0.000 1.285 447 R HN 0.268 nan 8.270 nan 0.000 0.643 448 P HA 0.059 nan 4.420 nan 0.000 0.275 448 P C 0.469 177.609 177.300 -0.267 0.000 1.228 448 P CA -0.052 62.780 63.100 -0.446 0.000 0.786 448 P CB 0.651 31.698 31.700 -1.088 0.000 0.927 449 T N -0.481 113.956 114.554 -0.195 0.000 2.748 449 T HA 0.097 4.447 4.350 -0.001 0.000 0.304 449 T C 1.329 175.989 174.700 -0.066 0.000 1.041 449 T CA -0.329 61.681 62.100 -0.149 0.000 1.033 449 T CB -0.144 68.619 68.868 -0.174 0.000 0.995 449 T HN 0.206 nan 8.240 nan 0.000 0.536 450 L N 1.256 122.440 121.223 -0.064 0.000 2.551 450 L HA 0.060 4.399 4.340 -0.001 0.000 0.228 450 L C 1.994 178.885 176.870 0.034 0.000 1.153 450 L CA 0.173 55.000 54.840 -0.022 0.000 0.851 450 L CB -0.447 41.570 42.059 -0.069 0.000 0.959 450 L HN 0.744 nan 8.230 nan 0.000 0.451 451 V N -4.373 115.565 119.914 0.039 0.000 3.331 451 V HA 0.104 4.223 4.120 -0.001 0.000 0.332 451 V C 0.421 176.558 176.094 0.072 0.000 1.341 451 V CA -0.503 61.838 62.300 0.069 0.000 1.218 451 V CB -1.199 30.673 31.823 0.081 0.000 1.152 451 V HN 0.101 nan 8.190 nan 0.000 0.445 452 F N 2.997 122.894 119.950 -0.088 0.000 2.467 452 F HA 0.629 5.156 4.527 -0.001 0.000 0.362 452 F C 0.653 176.470 175.800 0.027 0.000 1.090 452 F CA -0.512 57.428 58.000 -0.099 0.000 1.202 452 F CB 0.427 39.351 39.000 -0.127 0.000 1.113 452 F HN 0.070 nan 8.300 nan 0.000 0.541 453 R N 3.653 123.904 120.500 -0.415 0.000 2.943 453 R HA 0.203 4.542 4.340 -0.001 0.000 0.246 453 R C 0.613 176.495 176.300 -0.696 0.000 1.201 453 R CA -0.277 55.579 56.100 -0.408 0.000 1.056 453 R CB 0.657 30.770 30.300 -0.312 0.000 1.243 453 R HN 0.677 nan 8.270 nan 0.000 0.498 454 D N -0.161 120.011 120.400 -0.379 0.000 2.219 454 D HA -0.186 4.453 4.640 -0.001 0.000 0.205 454 D C 1.527 177.680 176.300 -0.246 0.000 0.970 454 D CA 1.479 55.266 54.000 -0.356 0.000 0.851 454 D CB -0.518 40.141 40.800 -0.235 0.000 0.943 454 D HN 0.700 nan 8.370 nan 0.000 0.488 455 H N -0.142 118.826 119.070 -0.170 0.000 2.423 455 H HA -0.044 4.511 4.556 -0.001 0.000 0.297 455 H C 1.196 176.402 175.328 -0.203 0.000 1.075 455 H CA 1.318 57.296 56.048 -0.117 0.000 1.342 455 H CB -0.751 28.917 29.762 -0.157 0.000 1.395 455 H HN 0.303 nan 8.280 nan 0.000 0.530 456 H N 1.184 119.932 119.070 -0.536 0.000 2.389 456 H HA 0.093 4.649 4.556 -0.001 0.000 0.299 456 H C 2.600 177.833 175.328 -0.157 0.000 1.081 456 H CA 1.350 57.192 56.048 -0.345 0.000 1.345 456 H CB 0.112 29.525 29.762 -0.581 0.000 1.393 456 H HN 0.542 nan 8.280 nan 0.000 0.520 457 A N 0.929 123.566 122.820 -0.305 0.000 1.877 457 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 457 A C 1.795 179.421 177.584 0.070 0.000 1.186 457 A CA 1.715 53.753 52.037 0.002 0.000 0.620 457 A CB -0.542 18.335 19.000 -0.206 0.000 0.822 457 A HN 0.476 nan 8.150 nan 0.000 0.443 458 H N -0.778 118.336 119.070 0.073 0.000 2.387 458 H HA -0.060 4.496 4.556 -0.001 0.000 0.299 458 H C 2.121 177.519 175.328 0.117 0.000 1.090 458 H CA 1.472 57.570 56.048 0.084 0.000 1.332 458 H CB -0.453 29.336 29.762 0.046 0.000 1.386 458 H HN 0.452 nan 8.280 nan 0.000 0.516 459 L N 0.112 121.493 121.223 0.264 0.000 2.017 459 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 459 L C 2.540 179.564 176.870 0.257 0.000 1.073 459 L CA 1.275 56.266 54.840 0.252 0.000 0.745 459 L CB -0.349 41.889 42.059 0.299 0.000 0.894 459 L HN 0.115 nan 8.230 nan 0.000 0.432 460 F N 0.062 120.134 119.950 0.204 0.000 2.102 460 F HA -0.241 4.286 4.527 -0.001 0.000 0.298 460 F C 2.009 177.934 175.800 0.208 0.000 1.105 460 F CA 1.706 59.832 58.000 0.211 0.000 1.239 460 F CB -0.367 38.771 39.000 0.230 0.000 0.991 460 F HN -0.056 nan 8.300 nan 0.000 0.474 461 L N 0.406 121.562 121.223 -0.112 0.000 2.017 461 L HA -0.254 4.086 4.340 -0.001 0.000 0.208 461 L C 2.351 179.149 176.870 -0.120 0.000 1.073 461 L CA 1.373 56.092 54.840 -0.203 0.000 0.745 461 L CB -0.950 41.162 42.059 0.088 0.000 0.894 461 L HN 0.175 nan 8.230 nan 0.000 0.432 462 N N 0.436 119.134 118.700 -0.004 0.000 2.036 462 N HA -0.203 4.537 4.740 -0.001 0.000 0.195 462 N C 1.861 177.354 175.510 -0.028 0.000 1.037 462 N CA 1.579 54.635 53.050 0.011 0.000 0.855 462 N CB -0.396 38.123 38.487 0.053 0.000 1.033 462 N HN 0.285 nan 8.380 nan 0.000 0.423 463 I N -0.356 120.195 120.570 -0.032 0.000 2.226 463 I HA -0.257 3.913 4.170 -0.001 0.000 0.245 463 I C 1.946 178.021 176.117 -0.070 0.000 1.100 463 I CA 0.943 62.230 61.300 -0.021 0.000 1.374 463 I CB -0.201 37.827 38.000 0.046 0.000 1.057 463 I HN 0.000 nan 8.210 nan 0.000 0.413 464 F N 0.615 120.340 119.950 -0.375 0.000 2.259 464 F HA -0.182 4.345 4.527 -0.001 0.000 0.298 464 F C 2.776 178.407 175.800 -0.281 0.000 1.088 464 F CA 1.377 59.144 58.000 -0.390 0.000 1.358 464 F CB -0.253 38.313 39.000 -0.724 0.000 1.040 464 F HN -0.069 nan 8.300 nan 0.000 0.505 465 S N -0.212 115.401 115.700 -0.144 0.000 2.368 465 S HA -0.183 4.287 4.470 -0.001 0.000 0.225 465 S C 1.822 176.332 174.600 -0.150 0.000 1.030 465 S CA 1.735 59.869 58.200 -0.110 0.000 0.999 465 S CB -0.409 62.799 63.200 0.013 0.000 0.844 465 S HN 0.390 nan 8.310 nan 0.000 0.459 466 D N 1.086 121.413 120.400 -0.122 0.000 2.144 466 D HA -0.006 4.634 4.640 -0.001 0.000 0.200 466 D C 1.890 178.094 176.300 -0.161 0.000 0.978 466 D CA 0.893 54.837 54.000 -0.094 0.000 0.833 466 D CB -0.346 40.421 40.800 -0.054 0.000 0.961 466 D HN 0.443 nan 8.370 nan 0.000 0.470 467 I N 0.729 121.141 120.570 -0.263 0.000 2.226 467 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 467 I C 2.453 178.321 176.117 -0.415 0.000 1.100 467 I CA 0.740 61.839 61.300 -0.334 0.000 1.374 467 I CB -0.129 37.585 38.000 -0.477 0.000 1.057 467 I HN -0.021 nan 8.210 nan 0.000 0.413 468 L N 0.352 121.198 121.223 -0.628 0.000 2.083 468 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 468 L C 2.790 179.407 176.870 -0.421 0.000 1.083 468 L CA 1.202 55.588 54.840 -0.757 0.000 0.752 468 L CB -0.640 40.672 42.059 -1.244 0.000 0.899 468 L HN 0.254 nan 8.230 nan 0.000 0.433 469 A N -0.657 122.035 122.820 -0.213 0.000 2.019 469 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 469 A C 1.726 179.355 177.584 0.075 0.000 1.164 469 A CA 1.766 53.853 52.037 0.083 0.000 0.644 469 A CB -0.287 18.779 19.000 0.111 0.000 0.805 469 A HN 0.335 nan 8.150 nan 0.000 0.449 470 D N -2.106 118.299 120.400 0.008 0.000 2.367 470 D HA 0.176 4.816 4.640 -0.001 0.000 0.207 470 D C 0.422 176.741 176.300 0.031 0.000 1.034 470 D CA -0.153 53.858 54.000 0.017 0.000 0.861 470 D CB -0.035 40.759 40.800 -0.010 0.000 0.943 470 D HN 0.364 nan 8.370 nan 0.000 0.515 471 F N 0.000 119.850 119.950 -0.167 0.000 2.286 471 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 471 F CA 0.000 57.845 58.000 -0.258 0.000 1.383 471 F CB 0.000 38.638 39.000 -0.604 0.000 1.145 471 F HN 0.000 nan 8.300 nan 0.000 0.574