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 2zkm_1_X DATA FIRST_RESID 11 DATA SEQUENCE PKVKAYLSQG ERFIKWDDET TVASPVILRV DPKGYYLYWT YQSKEMEFLD DATA SEQUENCE ITSIRDTRFG KFAKMPKSQK LRDVFNMDFP DNSFLLKTLT VVSGPDMVDL DATA SEQUENCE TFHNFVSYKE NVGKAWAEDV LALVKHPLTA NASRSTFLDK ILVKLKMQLN DATA SEQUENCE SEGKIPVKNF FQMFPADRKR VEAALSACHL PKGKNDAINP EDFPEPVYKS DATA SEQUENCE FLMSLCPRPE IDEIFTXXXX XXXXYMTKEH LTKFINQKQR XXXXXXXXXX DATA SEQUENCE XXXXXQVQGL IDKYEPSXXX XXXXXLSPEG MVWFLCGPEN SVLAQDKLLL DATA SEQUENCE HHDMTQPLNH YFINSSHNTY LTAGQFSGLS SAEMYRQVLL SGCRCVELDC DATA SEQUENCE WKGKPPDEEP IITHGFTMTT DIFFKEAIEA IAESAFKTSP YPIILSFENH DATA SEQUENCE VDSPRQQAKM AEYCRTIFGD MLLTEPLEKF PLKPGVPLPS PEDLRGKILI DATA SEQUENCE KNKKNXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXNLDEE EIKKMQSDEG TAGLEVTAYE EMSSLVNYIQ PTKFVSFEFS DATA SEQUENCE AQKNRSYVIS SFTELKAYDL LSKASVQFVD YNKRQMSRIY PKGTRMDSSN DATA SEQUENCE YMPQMFWNAG CQMVALNFQT MDLPMQQNMA VFEFNGQSGY LLKHEFMRRP DATA SEQUENCE DKQFNPFSVD RIDVVVATTL SITVISGQFL SERSVRTYVE VELFGLPGDP DATA SEQUENCE KRRYRTKLSP STNSINPVWK EEPFVFEKIL MPELASLRVA VMEEGNKFLG DATA SEQUENCE HRIIPINALN SGYHHLCLHS ESNMPLTMPA LFIFLEMKD 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 P HA 0.000 nan 4.420 nan 0.000 0.216 11 P C 0.000 177.202 177.300 -0.163 0.000 1.155 11 P CA 0.000 62.951 63.100 -0.249 0.000 0.800 11 P CB 0.000 31.495 31.700 -0.341 0.000 0.726 12 K N 0.796 121.118 120.400 -0.129 0.000 2.448 12 K HA 0.305 4.624 4.320 -0.001 0.000 0.278 12 K C 0.159 176.681 176.600 -0.129 0.000 1.009 12 K CA -0.389 55.827 56.287 -0.119 0.000 0.995 12 K CB 0.839 33.283 32.500 -0.093 0.000 0.917 12 K HN 0.098 nan 8.250 nan 0.000 0.481 13 V N 4.667 124.492 119.914 -0.147 0.000 2.470 13 V HA 0.001 4.121 4.120 -0.001 0.000 0.276 13 V C 0.459 176.442 176.094 -0.185 0.000 1.040 13 V CA -0.167 62.025 62.300 -0.181 0.000 1.008 13 V CB 0.268 31.980 31.823 -0.186 0.000 0.990 13 V HN 0.638 nan 8.190 nan 0.000 0.477 14 K N 3.575 123.840 120.400 -0.226 0.000 2.436 14 K HA 0.218 4.538 4.320 -0.001 0.000 0.275 14 K C 1.416 177.870 176.600 -0.243 0.000 0.999 14 K CA 0.342 56.514 56.287 -0.191 0.000 0.980 14 K CB 0.620 33.036 32.500 -0.141 0.000 0.919 14 K HN 0.782 nan 8.250 nan 0.000 0.484 15 A N 3.076 125.833 122.820 -0.104 0.000 1.940 15 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 15 A C 2.019 179.556 177.584 -0.079 0.000 1.176 15 A CA 1.771 53.764 52.037 -0.073 0.000 0.631 15 A CB -0.873 18.120 19.000 -0.011 0.000 0.814 15 A HN 0.922 nan 8.150 nan 0.000 0.446 16 Y N -0.521 119.709 120.300 -0.117 0.000 2.333 16 Y HA -0.039 4.511 4.550 -0.001 0.000 0.290 16 Y C 1.661 177.466 175.900 -0.157 0.000 1.144 16 Y CA 1.301 59.337 58.100 -0.107 0.000 1.228 16 Y CB -0.638 37.750 38.460 -0.121 0.000 0.985 16 Y HN 0.161 nan 8.280 nan 0.000 0.542 17 L N -0.104 120.478 121.223 -1.068 0.000 2.056 17 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 17 L C 2.490 179.166 176.870 -0.323 0.000 1.078 17 L CA 1.523 55.761 54.840 -1.004 0.000 0.749 17 L CB -0.569 40.860 42.059 -1.050 0.000 0.901 17 L HN 0.219 nan 8.230 nan 0.000 0.433 18 S N -1.026 114.542 115.700 -0.221 0.000 2.414 18 S HA -0.126 4.343 4.470 -0.001 0.000 0.227 18 S C 1.903 176.503 174.600 -0.000 0.000 1.022 18 S CA 0.688 58.847 58.200 -0.068 0.000 0.958 18 S CB -0.002 63.164 63.200 -0.056 0.000 0.797 18 S HN 0.402 nan 8.310 nan 0.000 0.493 19 Q N 0.420 120.224 119.800 0.007 0.000 2.079 19 Q HA 0.215 4.554 4.340 -0.001 0.000 0.200 19 Q C 1.049 177.109 176.000 0.100 0.000 0.974 19 Q CA 0.761 56.599 55.803 0.058 0.000 0.840 19 Q CB -0.071 28.711 28.738 0.073 0.000 0.898 19 Q HN 0.561 nan 8.270 nan 0.000 0.430 20 G N 0.599 109.509 108.800 0.182 0.000 2.612 20 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.686 20 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.686 20 G C -1.382 173.716 174.900 0.329 0.000 1.274 20 G CA -0.361 44.901 45.100 0.271 0.000 0.849 20 G HN 0.130 nan 8.290 nan 0.000 0.595 21 E N -0.664 119.687 120.200 0.253 0.000 2.356 21 E HA 0.683 5.033 4.350 -0.001 0.000 0.275 21 E C -0.093 176.435 176.600 -0.120 0.000 0.904 21 E CA -0.875 55.560 56.400 0.059 0.000 0.757 21 E CB 1.194 30.939 29.700 0.075 0.000 1.232 21 E HN 0.681 nan 8.360 nan 0.000 0.442 22 R N 2.514 122.877 120.500 -0.228 0.000 2.298 22 R HA 0.506 4.845 4.340 -0.001 0.000 0.310 22 R C -0.661 175.505 176.300 -0.223 0.000 1.068 22 R CA -0.020 56.011 56.100 -0.114 0.000 0.957 22 R CB 0.469 30.680 30.300 -0.149 0.000 1.003 22 R HN 0.333 nan 8.270 nan 0.000 0.454 23 F N 1.631 121.687 119.950 0.177 0.000 2.629 23 F HA 0.498 5.024 4.527 -0.001 0.000 0.316 23 F C -0.013 175.929 175.800 0.236 0.000 1.081 23 F CA -0.990 57.101 58.000 0.151 0.000 0.954 23 F CB 1.426 40.439 39.000 0.021 0.000 1.337 23 F HN 0.189 nan 8.300 nan 0.000 0.474 24 I N 1.950 122.737 120.570 0.361 0.000 2.330 24 I HA 0.290 4.459 4.170 -0.001 0.000 0.289 24 I C -0.423 175.902 176.117 0.346 0.000 1.001 24 I CA -0.635 60.871 61.300 0.344 0.000 1.193 24 I CB 1.495 39.704 38.000 0.349 0.000 1.345 24 I HN 0.398 nan 8.210 nan 0.000 0.461 25 K N 7.994 128.507 120.400 0.188 0.000 2.201 25 K HA 0.341 4.660 4.320 -0.001 0.000 0.278 25 K C -1.293 175.350 176.600 0.073 0.000 1.027 25 K CA -0.545 55.650 56.287 -0.153 0.000 0.909 25 K CB 1.137 33.375 32.500 -0.438 0.000 1.062 25 K HN 0.653 nan 8.250 nan 0.000 0.465 26 W N 3.149 124.384 121.300 -0.109 0.000 2.950 26 W HA 0.504 5.163 4.660 -0.001 0.000 0.340 26 W C -1.373 175.125 176.519 -0.036 0.000 1.139 26 W CA -0.928 56.432 57.345 0.026 0.000 1.188 26 W CB 0.910 30.495 29.460 0.209 0.000 1.426 26 W HN 0.454 nan 8.180 nan 0.000 0.531 27 D N 1.544 122.114 120.400 0.283 0.000 2.757 27 D HA 0.102 4.741 4.640 -0.001 0.000 0.249 27 D C 0.130 176.615 176.300 0.309 0.000 1.168 27 D CA -0.275 53.805 54.000 0.133 0.000 0.870 27 D CB 2.196 43.027 40.800 0.051 0.000 1.411 27 D HN 0.272 nan 8.370 nan 0.000 0.525 28 D N 2.067 122.659 120.400 0.320 0.000 2.144 28 D HA -0.100 4.540 4.640 -0.001 0.000 0.200 28 D C 1.256 177.639 176.300 0.139 0.000 0.978 28 D CA 0.982 55.145 54.000 0.270 0.000 0.833 28 D CB 0.502 41.460 40.800 0.264 0.000 0.961 28 D HN 0.593 nan 8.370 nan 0.000 0.470 29 E N -0.603 119.657 120.200 0.100 0.000 2.208 29 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 29 E C 1.768 178.405 176.600 0.061 0.000 0.988 29 E CA 1.267 57.707 56.400 0.066 0.000 0.828 29 E CB 0.183 29.913 29.700 0.049 0.000 0.763 29 E HN 0.317 nan 8.360 nan 0.000 0.478 30 T N -3.167 111.432 114.554 0.074 0.000 3.001 30 T HA -0.019 4.330 4.350 -0.001 0.000 0.251 30 T C 1.249 175.991 174.700 0.070 0.000 1.040 30 T CA 0.626 62.764 62.100 0.064 0.000 0.985 30 T CB 0.167 69.072 68.868 0.063 0.000 1.011 30 T HN 0.164 nan 8.240 nan 0.000 0.509 31 T N -0.074 114.538 114.554 0.096 0.000 5.060 31 T HA -0.196 4.153 4.350 -0.001 0.000 0.309 31 T C 0.085 174.837 174.700 0.087 0.000 1.248 31 T CA 0.591 62.744 62.100 0.088 0.000 2.322 31 T CB -2.957 65.933 68.868 0.037 0.000 1.982 31 T HN 0.499 nan 8.240 nan 0.000 0.955 32 V N 1.200 121.182 119.914 0.113 0.000 2.461 32 V HA 0.718 4.837 4.120 -0.001 0.000 0.275 32 V C 0.743 176.941 176.094 0.173 0.000 1.047 32 V CA -0.243 62.123 62.300 0.111 0.000 0.955 32 V CB 1.147 33.028 31.823 0.097 0.000 0.988 32 V HN 0.921 nan 8.190 nan 0.000 0.471 33 A N 4.193 127.101 122.820 0.147 0.000 2.311 33 A HA 0.768 5.088 4.320 -0.001 0.000 0.306 33 A C -0.125 177.575 177.584 0.193 0.000 1.189 33 A CA -0.397 51.764 52.037 0.207 0.000 0.791 33 A CB 0.998 20.055 19.000 0.095 0.000 1.172 33 A HN 0.706 nan 8.150 nan 0.000 0.481 34 S N 3.788 119.642 115.700 0.257 0.000 2.519 34 S HA 0.628 5.097 4.470 -0.001 0.000 0.309 34 S C -2.905 171.869 174.600 0.291 0.000 1.100 34 S CA -1.108 57.268 58.200 0.293 0.000 1.059 34 S CB 1.581 65.040 63.200 0.432 0.000 1.008 34 S HN 0.542 nan 8.310 nan 0.000 0.478 35 P HA 0.237 nan 4.420 nan 0.000 0.268 35 P C -0.724 176.704 177.300 0.213 0.000 1.204 35 P CA -0.269 63.011 63.100 0.300 0.000 0.768 35 P CB 0.467 32.340 31.700 0.288 0.000 0.842 36 V N 1.084 121.113 119.914 0.191 0.000 3.114 36 V HA 0.588 4.708 4.120 -0.001 0.000 0.308 36 V C -0.696 175.467 176.094 0.115 0.000 1.168 36 V CA -1.104 61.239 62.300 0.073 0.000 1.015 36 V CB 2.197 34.001 31.823 -0.030 0.000 1.050 36 V HN 0.230 nan 8.190 nan 0.000 0.433 37 I N 3.021 123.623 120.570 0.054 0.000 2.321 37 I HA 0.452 4.621 4.170 -0.001 0.000 0.291 37 I C -0.667 175.435 176.117 -0.025 0.000 0.998 37 I CA -0.551 60.770 61.300 0.035 0.000 1.227 37 I CB 1.582 39.592 38.000 0.016 0.000 1.368 37 I HN 0.531 nan 8.210 nan 0.000 0.466 38 L N 8.246 129.433 121.223 -0.062 0.000 2.289 38 L HA 0.570 4.909 4.340 -0.001 0.000 0.285 38 L C -0.409 176.370 176.870 -0.151 0.000 1.049 38 L CA 0.194 54.877 54.840 -0.263 0.000 0.804 38 L CB 0.592 42.192 42.059 -0.765 0.000 1.195 38 L HN 0.547 nan 8.230 nan 0.000 0.428 39 R N 2.972 123.306 120.500 -0.277 0.000 2.774 39 R HA 0.752 5.091 4.340 -0.001 0.000 0.272 39 R C -1.679 174.502 176.300 -0.199 0.000 1.000 39 R CA -1.018 54.938 56.100 -0.240 0.000 0.906 39 R CB 2.355 32.257 30.300 -0.664 0.000 1.227 39 R HN 0.389 nan 8.270 nan 0.000 0.468 40 V N 2.245 122.137 119.914 -0.037 0.000 2.495 40 V HA 0.141 4.261 4.120 -0.001 0.000 0.298 40 V C -0.021 176.152 176.094 0.130 0.000 1.031 40 V CA -0.887 61.447 62.300 0.058 0.000 0.871 40 V CB 1.606 33.396 31.823 -0.054 0.000 0.988 40 V HN 0.831 nan 8.190 nan 0.000 0.432 41 D N 5.370 125.962 120.400 0.320 0.000 2.400 41 D HA 0.078 4.718 4.640 -0.001 0.000 0.238 41 D C -2.009 174.291 176.300 -0.001 0.000 1.157 41 D CA -1.275 52.862 54.000 0.229 0.000 0.889 41 D CB 1.629 42.563 40.800 0.222 0.000 1.199 41 D HN 0.217 nan 8.370 nan 0.000 0.436 42 P HA -0.114 nan 4.420 nan 0.000 0.221 42 P C 0.927 178.106 177.300 -0.201 0.000 1.145 42 P CA 1.374 64.407 63.100 -0.111 0.000 0.795 42 P CB 0.143 31.792 31.700 -0.084 0.000 0.775 43 K N -2.021 118.185 120.400 -0.324 0.000 2.400 43 K HA 0.215 4.535 4.320 -0.001 0.000 0.194 43 K C 1.103 177.353 176.600 -0.583 0.000 1.033 43 K CA 0.608 56.552 56.287 -0.571 0.000 1.021 43 K CB -0.238 31.643 32.500 -1.032 0.000 0.808 43 K HN 0.087 nan 8.250 nan 0.000 0.505 44 G N 1.049 109.635 108.800 -0.357 0.000 2.160 44 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.244 44 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.244 44 G C 0.222 175.060 174.900 -0.104 0.000 1.022 44 G CA 0.130 45.116 45.100 -0.190 0.000 0.741 44 G HN 0.212 nan 8.290 nan 0.000 0.508 45 Y N -1.052 119.143 120.300 -0.175 0.000 2.347 45 Y HA 0.343 4.892 4.550 -0.001 0.000 0.294 45 Y C 1.271 176.796 175.900 -0.625 0.000 1.117 45 Y CA -0.123 57.698 58.100 -0.464 0.000 1.184 45 Y CB 0.008 38.092 38.460 -0.627 0.000 1.047 45 Y HN 0.429 nan 8.280 nan 0.000 0.546 46 Y N -0.800 119.648 120.300 0.246 0.000 2.442 46 Y HA 0.459 5.009 4.550 -0.001 0.000 0.344 46 Y C -0.933 175.131 175.900 0.275 0.000 0.976 46 Y CA -1.564 56.692 58.100 0.260 0.000 1.040 46 Y CB 1.762 40.430 38.460 0.348 0.000 1.228 46 Y HN -0.297 nan 8.280 nan 0.000 0.451 47 L N 5.652 127.096 121.223 0.369 0.000 2.281 47 L HA 0.452 4.791 4.340 -0.001 0.000 0.285 47 L C -1.133 175.904 176.870 0.278 0.000 1.074 47 L CA -0.505 54.507 54.840 0.286 0.000 0.817 47 L CB -0.295 41.904 42.059 0.233 0.000 1.168 47 L HN 0.574 nan 8.230 nan 0.000 0.434 48 Y N 2.860 123.160 120.300 0.001 0.000 2.553 48 Y HA 0.774 5.323 4.550 -0.001 0.000 0.347 48 Y C -1.627 174.181 175.900 -0.153 0.000 1.019 48 Y CA -1.673 56.193 58.100 -0.391 0.000 1.032 48 Y CB 0.753 38.735 38.460 -0.797 0.000 1.284 48 Y HN 0.634 nan 8.280 nan 0.000 0.466 49 W N 0.618 121.779 121.300 -0.232 0.000 2.819 49 W HA 0.834 5.494 4.660 -0.000 0.000 0.337 49 W C -1.859 174.523 176.519 -0.229 0.000 1.077 49 W CA -1.302 55.880 57.345 -0.271 0.000 1.226 49 W CB 1.756 31.087 29.460 -0.214 0.000 1.419 49 W HN 0.585 nan 8.180 nan 0.000 0.502 50 T N 2.811 117.351 114.554 -0.024 0.000 2.786 50 T HA 0.340 4.689 4.350 -0.001 0.000 0.283 50 T C -0.799 173.903 174.700 0.003 0.000 0.992 50 T CA -0.422 61.686 62.100 0.013 0.000 0.954 50 T CB 0.333 69.240 68.868 0.065 0.000 0.934 50 T HN 0.295 nan 8.240 nan 0.000 0.440 51 Y N 1.346 121.737 120.300 0.152 0.000 2.295 51 Y HA 0.160 4.709 4.550 -0.001 0.000 0.331 51 Y C 2.173 178.138 175.900 0.109 0.000 1.311 51 Y CA -0.465 57.727 58.100 0.153 0.000 1.430 51 Y CB 0.587 39.136 38.460 0.148 0.000 1.339 51 Y HN 0.636 nan 8.280 nan 0.000 0.552 52 Q N -0.023 119.940 119.800 0.273 0.000 2.170 52 Q HA -0.154 4.185 4.340 -0.001 0.000 0.203 52 Q C 1.849 177.933 176.000 0.140 0.000 0.976 52 Q CA 1.547 57.450 55.803 0.167 0.000 0.858 52 Q CB -0.117 28.707 28.738 0.143 0.000 0.907 52 Q HN 0.622 nan 8.270 nan 0.000 0.433 53 S N -0.437 115.358 115.700 0.157 0.000 2.701 53 S HA -0.021 4.449 4.470 -0.001 0.000 0.220 53 S C 0.190 174.854 174.600 0.105 0.000 0.954 53 S CA 0.182 58.445 58.200 0.105 0.000 0.936 53 S CB -0.053 63.192 63.200 0.074 0.000 0.777 53 S HN 0.214 nan 8.310 nan 0.000 0.518 54 K N -0.956 119.525 120.400 0.136 0.000 3.609 54 K HA -0.137 4.183 4.320 -0.001 0.000 0.277 54 K C -0.327 176.353 176.600 0.133 0.000 1.196 54 K CA 1.360 57.717 56.287 0.117 0.000 1.022 54 K CB -1.872 30.675 32.500 0.078 0.000 1.292 54 K HN 0.569 nan 8.250 nan 0.000 0.484 55 E N 1.086 121.382 120.200 0.161 0.000 2.415 55 E HA 0.330 4.680 4.350 -0.001 0.000 0.262 55 E C 0.408 177.153 176.600 0.243 0.000 1.038 55 E CA 0.561 57.055 56.400 0.157 0.000 0.921 55 E CB 0.365 30.116 29.700 0.085 0.000 0.950 55 E HN 0.133 nan 8.360 nan 0.000 0.438 56 M N 1.396 121.070 119.600 0.124 0.000 2.535 56 M HA 0.376 4.856 4.480 -0.001 0.000 0.314 56 M C -0.586 175.620 176.300 -0.158 0.000 1.153 56 M CA -0.456 54.810 55.300 -0.056 0.000 0.924 56 M CB 2.224 34.697 32.600 -0.211 0.000 1.710 56 M HN 0.357 nan 8.290 nan 0.000 0.451 57 E N 1.137 121.007 120.200 -0.550 0.000 2.266 57 E HA 0.625 4.974 4.350 -0.001 0.000 0.268 57 E C -1.739 174.164 176.600 -1.162 0.000 0.879 57 E CA -0.517 55.492 56.400 -0.651 0.000 0.762 57 E CB 2.403 31.808 29.700 -0.491 0.000 1.199 57 E HN 0.359 nan 8.360 nan 0.000 0.422 58 F N 1.748 121.351 119.950 -0.579 0.000 2.508 58 F HA 0.516 5.042 4.527 -0.001 0.000 0.325 58 F C -0.617 175.022 175.800 -0.267 0.000 1.090 58 F CA -0.999 56.740 58.000 -0.434 0.000 0.945 58 F CB 1.327 40.066 39.000 -0.435 0.000 1.156 58 F HN 0.218 nan 8.300 nan 0.000 0.463 59 L N 2.761 124.044 121.223 0.101 0.000 2.406 59 L HA 0.533 4.873 4.340 -0.001 0.000 0.272 59 L C -1.157 175.912 176.870 0.331 0.000 0.980 59 L CA -0.523 54.430 54.840 0.189 0.000 0.831 59 L CB 1.218 43.359 42.059 0.136 0.000 1.253 59 L HN 0.432 nan 8.230 nan 0.000 0.406 60 D N 4.968 125.552 120.400 0.307 0.000 2.487 60 D HA 0.069 4.709 4.640 -0.001 0.000 0.243 60 D C 1.581 177.948 176.300 0.112 0.000 1.154 60 D CA 0.057 54.173 54.000 0.194 0.000 0.876 60 D CB 0.873 41.749 40.800 0.127 0.000 1.161 60 D HN 0.388 nan 8.370 nan 0.000 0.478 61 I N 2.019 122.617 120.570 0.047 0.000 2.248 61 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 61 I C 2.366 178.511 176.117 0.046 0.000 1.107 61 I CA 1.496 62.825 61.300 0.050 0.000 1.373 61 I CB -1.356 36.656 38.000 0.020 0.000 1.055 61 I HN 0.490 nan 8.210 nan 0.000 0.418 62 T N -2.858 111.716 114.554 0.033 0.000 3.051 62 T HA -0.041 4.309 4.350 -0.001 0.000 0.269 62 T C 1.766 176.498 174.700 0.053 0.000 1.127 62 T CA 1.054 63.182 62.100 0.046 0.000 1.107 62 T CB -0.312 68.595 68.868 0.066 0.000 0.898 62 T HN 0.132 nan 8.240 nan 0.000 0.517 63 S N 0.483 116.224 115.700 0.069 0.000 2.558 63 S HA 0.356 4.826 4.470 -0.001 0.000 0.217 63 S C 0.683 175.328 174.600 0.075 0.000 0.975 63 S CA -0.303 57.942 58.200 0.076 0.000 0.912 63 S CB -0.297 62.964 63.200 0.102 0.000 0.776 63 S HN 0.536 nan 8.310 nan 0.000 0.526 64 I N 2.035 122.650 120.570 0.074 0.000 2.496 64 I HA 0.173 4.342 4.170 -0.001 0.000 0.285 64 I C 1.350 177.499 176.117 0.054 0.000 1.080 64 I CA -0.011 61.334 61.300 0.074 0.000 1.404 64 I CB 0.875 38.924 38.000 0.083 0.000 1.403 64 I HN 0.061 nan 8.210 nan 0.000 0.539 65 R N 2.386 122.911 120.500 0.041 0.000 2.250 65 R HA 0.222 4.561 4.340 -0.001 0.000 0.194 65 R C -0.339 175.983 176.300 0.036 0.000 0.927 65 R CA 0.078 56.195 56.100 0.029 0.000 1.052 65 R CB 0.387 30.689 30.300 0.003 0.000 1.055 65 R HN 0.609 nan 8.270 nan 0.000 0.537 66 D N -0.196 120.232 120.400 0.047 0.000 2.653 66 D HA 0.132 4.772 4.640 -0.001 0.000 0.258 66 D C -1.488 174.867 176.300 0.091 0.000 1.252 66 D CA -0.221 53.817 54.000 0.063 0.000 0.777 66 D CB 1.996 42.832 40.800 0.060 0.000 1.339 66 D HN 0.008 nan 8.370 nan 0.000 0.422 67 T N -0.760 113.857 114.554 0.105 0.000 2.900 67 T HA 0.895 5.244 4.350 -0.001 0.000 0.295 67 T C -0.523 174.274 174.700 0.162 0.000 1.044 67 T CA -0.881 61.302 62.100 0.139 0.000 0.995 67 T CB 1.719 70.669 68.868 0.138 0.000 1.072 67 T HN 0.398 nan 8.240 nan 0.000 0.473 68 R N 0.979 121.602 120.500 0.205 0.000 2.604 68 R HA 0.687 5.026 4.340 -0.001 0.000 0.281 68 R C -1.814 174.675 176.300 0.315 0.000 1.020 68 R CA -0.807 55.444 56.100 0.251 0.000 0.899 68 R CB 2.242 32.680 30.300 0.229 0.000 1.205 68 R HN 0.679 nan 8.270 nan 0.000 0.450 69 F N 1.080 121.144 119.950 0.189 0.000 2.577 69 F HA 0.648 5.174 4.527 -0.001 0.000 0.318 69 F C 0.755 176.612 175.800 0.096 0.000 1.065 69 F CA 0.608 58.687 58.000 0.131 0.000 0.929 69 F CB 1.697 40.776 39.000 0.132 0.000 1.237 69 F HN 0.755 nan 8.300 nan 0.000 0.468 70 G N 5.054 113.153 108.800 -1.169 0.000 2.556 70 G HA2 -0.420 3.539 3.960 -0.001 0.000 0.283 70 G HA3 -0.420 3.539 3.960 -0.001 0.000 0.283 70 G C 0.792 175.404 174.900 -0.481 0.000 1.177 70 G CA 0.544 45.044 45.100 -1.000 0.000 0.978 70 G HN 1.176 nan 8.290 nan 0.000 0.554 71 K N 0.298 120.429 120.400 -0.448 0.000 2.360 71 K HA 0.205 4.524 4.320 -0.001 0.000 0.201 71 K C 2.156 178.572 176.600 -0.307 0.000 1.046 71 K CA 2.111 58.163 56.287 -0.393 0.000 0.945 71 K CB -0.199 32.012 32.500 -0.482 0.000 0.750 71 K HN 0.462 nan 8.250 nan 0.000 0.464 72 F N 1.581 121.494 119.950 -0.060 0.000 2.743 72 F HA 0.229 4.755 4.527 -0.001 0.000 0.297 72 F C 1.412 177.214 175.800 0.003 0.000 1.131 72 F CA -0.619 57.378 58.000 -0.006 0.000 1.426 72 F CB 0.242 39.266 39.000 0.040 0.000 1.116 72 F HN 0.059 nan 8.300 nan 0.000 0.583 73 A N 0.754 123.640 122.820 0.110 0.000 2.346 73 A HA 0.229 4.548 4.320 -0.001 0.000 0.252 73 A C 0.366 177.992 177.584 0.070 0.000 1.089 73 A CA -0.558 51.528 52.037 0.083 0.000 0.797 73 A CB 0.360 19.364 19.000 0.007 0.000 1.047 73 A HN -0.051 nan 8.150 nan 0.000 0.494 74 K N 0.698 121.144 120.400 0.077 0.000 2.382 74 K HA 0.210 4.530 4.320 -0.001 0.000 0.275 74 K C -0.408 176.363 176.600 0.284 0.000 1.009 74 K CA 0.272 56.612 56.287 0.088 0.000 0.970 74 K CB 0.455 32.939 32.500 -0.026 0.000 0.934 74 K HN 0.574 nan 8.250 nan 0.000 0.479 75 M N 3.446 123.184 119.600 0.229 0.000 2.336 75 M HA 0.317 4.796 4.480 -0.001 0.000 0.342 75 M C -2.247 174.102 176.300 0.081 0.000 1.128 75 M CA -2.853 52.555 55.300 0.181 0.000 1.016 75 M CB 0.984 33.636 32.600 0.087 0.000 1.665 75 M HN 0.086 nan 8.290 nan 0.000 0.445 76 P HA 0.144 nan 4.420 nan 0.000 0.267 76 P C 0.031 177.206 177.300 -0.207 0.000 1.209 76 P CA 0.216 62.975 63.100 -0.567 0.000 0.763 76 P CB 0.671 31.869 31.700 -0.836 0.000 0.816 77 K N 0.852 121.205 120.400 -0.079 0.000 2.276 77 K HA 0.065 4.385 4.320 -0.001 0.000 0.198 77 K C 0.827 177.395 176.600 -0.053 0.000 1.052 77 K CA 0.310 56.570 56.287 -0.045 0.000 0.984 77 K CB 0.104 32.607 32.500 0.004 0.000 0.836 77 K HN 0.520 nan 8.250 nan 0.000 0.490 78 S N 0.898 116.571 115.700 -0.045 0.000 2.562 78 S HA -0.007 4.462 4.470 -0.001 0.000 0.281 78 S C 0.981 175.533 174.600 -0.080 0.000 1.333 78 S CA -0.495 57.679 58.200 -0.043 0.000 1.052 78 S CB 1.648 64.839 63.200 -0.015 0.000 0.884 78 S HN 0.070 nan 8.310 nan 0.000 0.506 79 Q N 2.017 121.776 119.800 -0.069 0.000 2.170 79 Q HA -0.094 4.246 4.340 -0.001 0.000 0.203 79 Q C 1.667 177.607 176.000 -0.100 0.000 0.976 79 Q CA 1.655 57.408 55.803 -0.084 0.000 0.858 79 Q CB -0.171 28.528 28.738 -0.064 0.000 0.907 79 Q HN 0.737 nan 8.270 nan 0.000 0.433 80 K N -0.046 120.303 120.400 -0.085 0.000 2.032 80 K HA -0.136 4.184 4.320 -0.001 0.000 0.209 80 K C 2.048 178.558 176.600 -0.150 0.000 1.048 80 K CA 1.342 57.571 56.287 -0.096 0.000 0.927 80 K CB -0.435 32.027 32.500 -0.063 0.000 0.712 80 K HN 0.330 nan 8.250 nan 0.000 0.441 81 L N 0.243 121.373 121.223 -0.156 0.000 2.209 81 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 81 L C 2.578 179.294 176.870 -0.258 0.000 1.094 81 L CA 0.575 55.277 54.840 -0.230 0.000 0.790 81 L CB -0.232 41.725 42.059 -0.171 0.000 0.932 81 L HN 0.110 nan 8.230 nan 0.000 0.447 82 R N 0.133 120.501 120.500 -0.220 0.000 2.120 82 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 82 R C 1.715 177.879 176.300 -0.228 0.000 1.123 82 R CA 1.378 57.334 56.100 -0.239 0.000 0.975 82 R CB -0.237 29.941 30.300 -0.203 0.000 0.866 82 R HN 0.359 nan 8.270 nan 0.000 0.446 83 D N -0.036 120.242 120.400 -0.203 0.000 2.117 83 D HA -0.100 4.539 4.640 -0.001 0.000 0.198 83 D C 1.965 178.131 176.300 -0.223 0.000 0.982 83 D CA 0.922 54.814 54.000 -0.180 0.000 0.828 83 D CB -0.183 40.532 40.800 -0.143 0.000 0.967 83 D HN -0.008 nan 8.370 nan 0.000 0.464 84 V N 0.345 120.059 119.914 -0.334 0.000 2.343 84 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 84 V C 1.776 177.575 176.094 -0.492 0.000 1.051 84 V CA 1.344 63.358 62.300 -0.476 0.000 1.036 84 V CB -0.521 30.864 31.823 -0.729 0.000 0.654 84 V HN 0.151 nan 8.190 nan 0.000 0.451 85 F N -0.169 119.639 119.950 -0.237 0.000 2.693 85 F HA 0.288 4.814 4.527 -0.001 0.000 0.303 85 F C 0.977 176.600 175.800 -0.295 0.000 1.097 85 F CA -0.291 57.548 58.000 -0.267 0.000 1.330 85 F CB -0.153 38.582 39.000 -0.442 0.000 1.067 85 F HN 0.165 nan 8.300 nan 0.000 0.565 86 N N 0.905 119.532 118.700 -0.122 0.000 2.714 86 N HA -0.235 4.505 4.740 -0.001 0.000 0.253 86 N C 0.649 176.058 175.510 -0.169 0.000 1.024 86 N CA 0.765 53.745 53.050 -0.115 0.000 0.726 86 N CB -1.471 36.987 38.487 -0.049 0.000 0.908 86 N HN 0.449 nan 8.380 nan 0.000 0.542 87 M N -0.551 118.887 119.600 -0.269 0.000 2.558 87 M HA -0.044 4.436 4.480 -0.001 0.000 0.255 87 M C 1.176 177.367 176.300 -0.182 0.000 1.113 87 M CA 1.480 56.586 55.300 -0.324 0.000 1.097 87 M CB 0.106 32.418 32.600 -0.480 0.000 1.426 87 M HN 0.291 nan 8.290 nan 0.000 0.488 88 D N 0.187 120.503 120.400 -0.141 0.000 3.139 88 D HA 0.500 5.140 4.640 -0.001 0.000 0.268 88 D C -0.635 175.621 176.300 -0.072 0.000 1.322 88 D CA -0.095 53.847 54.000 -0.097 0.000 0.940 88 D CB -0.813 39.933 40.800 -0.090 0.000 1.050 88 D HN 0.250 nan 8.370 nan 0.000 0.503 89 F N -1.288 118.623 119.950 -0.064 0.000 2.601 89 F HA 0.943 5.470 4.527 -0.001 0.000 0.309 89 F C -2.637 173.145 175.800 -0.030 0.000 1.089 89 F CA -2.161 55.814 58.000 -0.043 0.000 0.940 89 F CB 1.109 40.086 39.000 -0.037 0.000 1.273 89 F HN 0.317 nan 8.300 nan 0.000 0.450 90 P HA 0.514 nan 4.420 nan 0.000 0.281 90 P C -0.015 177.280 177.300 -0.008 0.000 1.252 90 P CA 1.227 64.317 63.100 -0.016 0.000 0.778 90 P CB 0.095 31.786 31.700 -0.015 0.000 0.895 91 D N 1.021 121.418 120.400 -0.005 0.000 2.708 91 D HA -0.203 4.437 4.640 -0.001 0.000 0.236 91 D C 0.310 176.617 176.300 0.010 0.000 1.146 91 D CA 1.123 55.124 54.000 0.002 0.000 0.662 91 D CB -2.310 38.491 40.800 0.002 0.000 1.059 91 D HN 1.039 nan 8.370 nan 0.000 0.428 92 N N -1.575 117.134 118.700 0.014 0.000 2.467 92 N HA 0.468 5.208 4.740 -0.001 0.000 0.262 92 N C 0.951 176.493 175.510 0.053 0.000 1.234 92 N CA 0.184 53.254 53.050 0.034 0.000 0.952 92 N CB 1.600 40.105 38.487 0.031 0.000 1.158 92 N HN 0.599 nan 8.380 nan 0.000 0.463 93 S N -0.677 115.066 115.700 0.072 0.000 2.561 93 S HA 0.113 4.583 4.470 -0.001 0.000 0.245 93 S C 0.673 175.317 174.600 0.073 0.000 1.001 93 S CA -0.883 57.353 58.200 0.059 0.000 1.002 93 S CB -1.050 62.178 63.200 0.048 0.000 0.805 93 S HN 0.593 nan 8.310 nan 0.000 0.458 94 F N 2.099 122.012 119.950 -0.061 0.000 2.134 94 F HA 0.062 4.589 4.527 -0.001 0.000 0.299 94 F C 1.617 177.336 175.800 -0.136 0.000 1.097 94 F CA 1.373 59.314 58.000 -0.098 0.000 1.264 94 F CB -0.089 38.846 39.000 -0.108 0.000 1.001 94 F HN 0.239 nan 8.300 nan 0.000 0.479 95 L N 0.183 121.297 121.223 -0.180 0.000 2.465 95 L HA -0.133 4.207 4.340 -0.001 0.000 0.224 95 L C 1.579 178.207 176.870 -0.405 0.000 1.145 95 L CA 0.416 55.047 54.840 -0.348 0.000 0.834 95 L CB -0.422 41.508 42.059 -0.215 0.000 0.944 95 L HN 0.266 nan 8.230 nan 0.000 0.451 96 L N -0.944 120.156 121.223 -0.204 0.000 2.592 96 L HA 0.006 4.345 4.340 -0.001 0.000 0.227 96 L C 1.646 178.546 176.870 0.050 0.000 1.127 96 L CA 0.483 55.310 54.840 -0.022 0.000 0.884 96 L CB -0.067 42.028 42.059 0.061 0.000 1.065 96 L HN 0.161 nan 8.230 nan 0.000 0.457 97 K N -0.797 119.508 120.400 -0.158 0.000 2.440 97 K HA 0.123 4.442 4.320 -0.001 0.000 0.207 97 K C 0.462 176.974 176.600 -0.147 0.000 1.112 97 K CA 0.000 56.230 56.287 -0.096 0.000 1.036 97 K CB 0.953 33.365 32.500 -0.146 0.000 0.935 97 K HN 0.163 nan 8.250 nan 0.000 0.564 98 T N 0.388 114.714 114.554 -0.379 0.000 2.817 98 T HA 0.529 4.879 4.350 -0.001 0.000 0.293 98 T C -0.462 174.222 174.700 -0.026 0.000 0.964 98 T CA -0.709 61.191 62.100 -0.333 0.000 1.085 98 T CB 1.315 69.847 68.868 -0.560 0.000 0.921 98 T HN -0.047 nan 8.240 nan 0.000 0.502 99 L N 2.347 123.630 121.223 0.100 0.000 2.436 99 L HA 0.686 5.025 4.340 -0.001 0.000 0.268 99 L C -0.807 176.150 176.870 0.146 0.000 0.974 99 L CA -0.170 54.778 54.840 0.181 0.000 0.826 99 L CB 2.529 44.676 42.059 0.146 0.000 1.291 99 L HN 0.882 nan 8.230 nan 0.000 0.406 100 T N 3.984 118.632 114.554 0.157 0.000 2.824 100 T HA 0.678 5.027 4.350 -0.001 0.000 0.282 100 T C -1.070 173.741 174.700 0.185 0.000 0.993 100 T CA -0.416 61.772 62.100 0.145 0.000 0.967 100 T CB 1.761 70.720 68.868 0.152 0.000 0.960 100 T HN 0.349 nan 8.240 nan 0.000 0.441 101 V N 3.827 123.864 119.914 0.205 0.000 2.384 101 V HA 0.462 4.581 4.120 -0.001 0.000 0.287 101 V C -0.171 176.046 176.094 0.205 0.000 1.020 101 V CA -0.754 61.669 62.300 0.206 0.000 0.850 101 V CB 1.665 33.616 31.823 0.213 0.000 0.987 101 V HN 0.712 nan 8.190 nan 0.000 0.436 102 V N 4.706 124.684 119.914 0.106 0.000 2.394 102 V HA 0.694 4.814 4.120 -0.001 0.000 0.282 102 V C 0.278 176.361 176.094 -0.018 0.000 1.031 102 V CA -0.191 62.058 62.300 -0.085 0.000 0.881 102 V CB 1.606 33.345 31.823 -0.140 0.000 0.982 102 V HN 1.021 nan 8.190 nan 0.000 0.451 103 S N 2.851 118.528 115.700 -0.039 0.000 2.632 103 S HA 1.030 5.500 4.470 -0.001 0.000 0.289 103 S C -0.303 174.279 174.600 -0.029 0.000 1.115 103 S CA -0.201 58.028 58.200 0.048 0.000 0.889 103 S CB 2.377 65.712 63.200 0.224 0.000 1.116 103 S HN 1.723 nan 8.310 nan 0.000 0.486 104 G N 0.561 109.367 108.800 0.010 0.000 2.358 104 G HA2 0.441 4.401 3.960 -0.001 0.000 0.301 104 G HA3 0.441 4.401 3.960 -0.001 0.000 0.301 104 G C -3.052 171.856 174.900 0.014 0.000 1.539 104 G CA -0.601 44.497 45.100 -0.003 0.000 0.893 104 G HN 0.497 nan 8.290 nan 0.000 0.636 105 P HA 0.139 nan 4.420 nan 0.000 0.236 105 P C 0.007 177.312 177.300 0.009 0.000 1.177 105 P CA 1.382 64.495 63.100 0.022 0.000 0.773 105 P CB 0.198 31.914 31.700 0.026 0.000 0.878 106 D N -2.920 117.480 120.400 0.001 0.000 2.946 106 D HA 0.126 4.765 4.640 -0.001 0.000 0.337 106 D C 1.066 177.368 176.300 0.003 0.000 1.332 106 D CA -0.654 53.345 54.000 -0.002 0.000 0.935 106 D CB -0.354 40.435 40.800 -0.017 0.000 1.440 106 D HN -0.390 nan 8.370 nan 0.000 0.540 107 M N -0.087 119.523 119.600 0.016 0.000 2.394 107 M HA 0.055 4.535 4.480 -0.001 0.000 0.264 107 M C 1.224 177.529 176.300 0.009 0.000 1.073 107 M CA 0.777 56.093 55.300 0.028 0.000 1.111 107 M CB -0.247 32.393 32.600 0.067 0.000 1.401 107 M HN 0.357 nan 8.290 nan 0.000 0.448 108 V N -1.064 118.851 119.914 0.002 0.000 2.908 108 V HA 0.016 4.135 4.120 -0.001 0.000 0.240 108 V C 0.563 176.658 176.094 0.001 0.000 1.117 108 V CA 0.551 62.853 62.300 0.004 0.000 1.133 108 V CB -0.083 31.741 31.823 0.001 0.000 0.857 108 V HN 0.219 nan 8.190 nan 0.000 0.478 109 D N 1.821 122.216 120.400 -0.009 0.000 2.551 109 D HA 0.233 4.873 4.640 -0.001 0.000 0.223 109 D C -0.280 175.992 176.300 -0.046 0.000 1.144 109 D CA 0.220 54.213 54.000 -0.013 0.000 1.025 109 D CB -0.634 40.164 40.800 -0.004 0.000 1.085 109 D HN 0.264 nan 8.370 nan 0.000 0.506 110 L N 1.641 122.816 121.223 -0.079 0.000 2.325 110 L HA 0.477 4.816 4.340 -0.001 0.000 0.279 110 L C 0.545 177.240 176.870 -0.291 0.000 1.054 110 L CA -0.664 54.036 54.840 -0.233 0.000 0.804 110 L CB 1.913 43.758 42.059 -0.356 0.000 1.200 110 L HN 0.034 nan 8.230 nan 0.000 0.436 111 T N 1.819 116.130 114.554 -0.405 0.000 2.829 111 T HA 0.566 4.915 4.350 -0.001 0.000 0.280 111 T C -0.734 173.542 174.700 -0.707 0.000 0.999 111 T CA -0.310 61.541 62.100 -0.415 0.000 0.983 111 T CB 0.954 69.650 68.868 -0.287 0.000 0.968 111 T HN 0.105 nan 8.240 nan 0.000 0.446 112 F N 3.045 122.781 119.950 -0.356 0.000 2.388 112 F HA 0.336 4.863 4.527 -0.001 0.000 0.358 112 F C 0.913 176.375 175.800 -0.563 0.000 1.122 112 F CA -0.940 56.855 58.000 -0.342 0.000 1.056 112 F CB 0.919 39.781 39.000 -0.230 0.000 1.155 112 F HN 0.490 nan 8.300 nan 0.000 0.461 113 H N 3.509 122.490 119.070 -0.149 0.000 2.597 113 H HA 0.309 4.865 4.556 -0.001 0.000 0.303 113 H C -0.676 174.252 175.328 -0.667 0.000 1.057 113 H CA -0.565 55.218 56.048 -0.441 0.000 1.261 113 H CB 0.807 30.387 29.762 -0.304 0.000 1.397 113 H HN 0.501 nan 8.280 nan 0.000 0.461 114 N N 3.845 121.934 118.700 -1.019 0.000 2.392 114 N HA 0.287 5.026 4.740 -0.001 0.000 0.283 114 N C -0.828 173.958 175.510 -1.207 0.000 1.003 114 N CA -0.295 52.123 53.050 -1.053 0.000 0.892 114 N CB 1.552 39.028 38.487 -1.686 0.000 1.193 114 N HN 0.328 nan 8.380 nan 0.000 0.487 115 F N 0.102 119.850 119.950 -0.338 0.000 2.565 115 F HA 0.485 5.011 4.527 -0.001 0.000 0.313 115 F C 0.007 175.835 175.800 0.045 0.000 1.091 115 F CA -0.986 56.898 58.000 -0.193 0.000 0.915 115 F CB 1.799 40.465 39.000 -0.556 0.000 1.208 115 F HN -0.029 nan 8.300 nan 0.000 0.453 116 V N 2.104 122.210 119.914 0.321 0.000 2.407 116 V HA 0.389 4.508 4.120 -0.001 0.000 0.291 116 V C -0.291 175.900 176.094 0.161 0.000 1.018 116 V CA -0.967 61.390 62.300 0.096 0.000 0.842 116 V CB 1.551 33.204 31.823 -0.282 0.000 0.996 116 V HN 0.852 nan 8.190 nan 0.000 0.426 117 S N 3.757 119.517 115.700 0.100 0.000 2.592 117 S HA 0.344 4.814 4.470 -0.001 0.000 0.271 117 S C 0.617 175.108 174.600 -0.181 0.000 1.326 117 S CA -0.153 57.906 58.200 -0.235 0.000 1.024 117 S CB 0.653 63.648 63.200 -0.340 0.000 0.921 117 S HN 0.515 nan 8.310 nan 0.000 0.527 118 Y N 1.273 121.467 120.300 -0.177 0.000 2.243 118 Y HA 0.164 4.714 4.550 -0.001 0.000 0.293 118 Y C 1.366 177.228 175.900 -0.064 0.000 1.124 118 Y CA 0.877 58.936 58.100 -0.069 0.000 1.159 118 Y CB -0.055 38.363 38.460 -0.070 0.000 1.008 118 Y HN 0.531 nan 8.280 nan 0.000 0.527 119 K N 1.472 121.897 120.400 0.042 0.000 2.185 119 K HA 0.132 4.451 4.320 -0.001 0.000 0.271 119 K C -0.322 176.285 176.600 0.011 0.000 1.013 119 K CA -0.348 55.947 56.287 0.014 0.000 0.943 119 K CB 0.741 33.230 32.500 -0.017 0.000 0.998 119 K HN 0.151 nan 8.250 nan 0.000 0.468 120 E N 1.805 122.025 120.200 0.032 0.000 2.366 120 E HA 0.002 4.352 4.350 -0.001 0.000 0.266 120 E C 0.012 176.653 176.600 0.069 0.000 1.051 120 E CA -0.195 56.239 56.400 0.057 0.000 0.884 120 E CB 0.467 30.199 29.700 0.053 0.000 1.006 120 E HN 0.578 nan 8.360 nan 0.000 0.417 121 N N -0.190 118.593 118.700 0.139 0.000 2.951 121 N HA -0.232 4.507 4.740 -0.001 0.000 0.213 121 N C 1.215 176.710 175.510 -0.025 0.000 0.877 121 N CA 1.219 54.330 53.050 0.101 0.000 1.042 121 N CB -1.582 36.930 38.487 0.042 0.000 1.005 121 N HN 0.421 nan 8.380 nan 0.000 0.604 122 V N -1.734 118.202 119.914 0.037 0.000 2.626 122 V HA 0.065 4.184 4.120 -0.001 0.000 0.252 122 V C 2.391 178.600 176.094 0.192 0.000 1.067 122 V CA 2.400 64.749 62.300 0.081 0.000 1.081 122 V CB -1.147 30.735 31.823 0.098 0.000 0.686 122 V HN 0.312 nan 8.190 nan 0.000 0.468 123 G N 0.070 108.966 108.800 0.160 0.000 2.448 123 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.219 123 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.219 123 G C 1.565 176.364 174.900 -0.168 0.000 1.127 123 G CA 0.928 46.176 45.100 0.248 0.000 0.766 123 G HN 0.603 nan 8.290 nan 0.000 0.552 124 K N 0.521 120.339 120.400 -0.969 0.000 2.026 124 K HA 0.016 4.336 4.320 -0.001 0.000 0.208 124 K C 2.797 179.256 176.600 -0.235 0.000 1.048 124 K CA 1.324 57.081 56.287 -0.884 0.000 0.929 124 K CB -0.321 31.623 32.500 -0.925 0.000 0.713 124 K HN 0.187 nan 8.250 nan 0.000 0.439 125 A N 0.288 123.029 122.820 -0.130 0.000 1.902 125 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 125 A C 1.853 179.499 177.584 0.103 0.000 1.181 125 A CA 1.383 53.396 52.037 -0.039 0.000 0.623 125 A CB -1.005 17.894 19.000 -0.169 0.000 0.818 125 A HN 0.569 nan 8.150 nan 0.000 0.443 126 W N -0.206 121.155 121.300 0.101 0.000 2.355 126 W HA -0.079 4.580 4.660 -0.001 0.000 0.309 126 W C 2.823 179.372 176.519 0.050 0.000 1.206 126 W CA 1.827 59.252 57.345 0.133 0.000 1.284 126 W CB -0.379 29.164 29.460 0.138 0.000 1.145 126 W HN 0.384 nan 8.180 nan 0.000 0.502 127 A N 0.145 123.123 122.820 0.264 0.000 1.877 127 A HA -0.240 4.079 4.320 -0.001 0.000 0.216 127 A C 1.790 179.446 177.584 0.120 0.000 1.186 127 A CA 1.998 54.147 52.037 0.186 0.000 0.620 127 A CB -0.847 18.277 19.000 0.206 0.000 0.822 127 A HN 0.389 nan 8.150 nan 0.000 0.443 128 E N -0.352 119.898 120.200 0.083 0.000 2.047 128 E HA -0.169 4.181 4.350 -0.001 0.000 0.191 128 E C 1.512 178.135 176.600 0.037 0.000 0.987 128 E CA 1.205 57.637 56.400 0.053 0.000 0.799 128 E CB -0.175 29.542 29.700 0.028 0.000 0.752 128 E HN 0.530 nan 8.360 nan 0.000 0.449 129 D N 0.182 120.595 120.400 0.022 0.000 2.149 129 D HA -0.092 4.548 4.640 -0.001 0.000 0.201 129 D C 2.101 178.375 176.300 -0.044 0.000 0.972 129 D CA 0.607 54.592 54.000 -0.025 0.000 0.835 129 D CB -0.101 40.662 40.800 -0.061 0.000 0.966 129 D HN 0.001 nan 8.370 nan 0.000 0.476 130 V N 1.164 121.067 119.914 -0.018 0.000 2.295 130 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 130 V C 2.482 178.595 176.094 0.031 0.000 1.049 130 V CA 1.026 63.329 62.300 0.006 0.000 1.024 130 V CB -0.379 31.487 31.823 0.071 0.000 0.648 130 V HN 0.127 nan 8.190 nan 0.000 0.447 131 L N 0.695 121.949 121.223 0.051 0.000 2.083 131 L HA -0.069 4.270 4.340 -0.001 0.000 0.209 131 L C 2.448 179.347 176.870 0.049 0.000 1.083 131 L CA 2.200 57.073 54.840 0.055 0.000 0.752 131 L CB -0.887 41.210 42.059 0.063 0.000 0.899 131 L HN 0.240 nan 8.230 nan 0.000 0.433 132 A N -0.841 122.004 122.820 0.041 0.000 1.940 132 A HA -0.216 4.104 4.320 -0.001 0.000 0.219 132 A C 2.218 179.837 177.584 0.059 0.000 1.176 132 A CA 1.947 54.014 52.037 0.050 0.000 0.631 132 A CB -0.911 18.110 19.000 0.036 0.000 0.814 132 A HN 0.454 nan 8.150 nan 0.000 0.446 133 L N -0.134 121.103 121.223 0.023 0.000 2.056 133 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 133 L C 2.383 179.276 176.870 0.040 0.000 1.078 133 L CA 1.845 56.690 54.840 0.008 0.000 0.749 133 L CB -0.506 41.532 42.059 -0.035 0.000 0.901 133 L HN 0.153 nan 8.230 nan 0.000 0.433 134 V N -0.394 119.545 119.914 0.043 0.000 2.343 134 V HA -0.205 3.915 4.120 -0.001 0.000 0.247 134 V C 2.434 178.564 176.094 0.060 0.000 1.051 134 V CA 1.577 63.906 62.300 0.049 0.000 1.036 134 V CB -0.733 31.120 31.823 0.050 0.000 0.654 134 V HN 0.364 nan 8.190 nan 0.000 0.451 135 K N -1.116 119.324 120.400 0.067 0.000 2.426 135 K HA 0.066 4.385 4.320 -0.001 0.000 0.193 135 K C 0.880 177.516 176.600 0.060 0.000 1.028 135 K CA -0.069 56.252 56.287 0.057 0.000 1.047 135 K CB -0.358 32.170 32.500 0.047 0.000 0.821 135 K HN 0.519 nan 8.250 nan 0.000 0.513 136 H N 2.440 121.516 119.070 0.010 0.000 3.004 136 H HA -0.001 4.554 4.556 -0.001 0.000 0.316 136 H C -1.778 173.552 175.328 0.003 0.000 1.014 136 H CA -1.086 54.967 56.048 0.008 0.000 1.454 136 H CB 1.327 31.090 29.762 0.001 0.000 1.472 136 H HN -0.164 nan 8.280 nan 0.000 0.571 137 P HA -0.140 nan 4.420 nan 0.000 0.220 137 P C 1.365 178.681 177.300 0.028 0.000 1.144 137 P CA 1.077 64.114 63.100 -0.106 0.000 0.800 137 P CB 0.212 31.802 31.700 -0.183 0.000 0.772 138 L N -2.568 118.800 121.223 0.241 0.000 2.416 138 L HA 0.012 4.351 4.340 -0.001 0.000 0.216 138 L C 2.114 179.068 176.870 0.140 0.000 1.098 138 L CA 0.813 55.781 54.840 0.214 0.000 0.840 138 L CB -1.172 41.043 42.059 0.260 0.000 0.981 138 L HN -0.040 nan 8.230 nan 0.000 0.462 139 T N 0.721 115.361 114.554 0.144 0.000 2.684 139 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 139 T C 1.923 176.658 174.700 0.059 0.000 1.036 139 T CA 1.720 63.857 62.100 0.063 0.000 1.148 139 T CB -0.114 68.792 68.868 0.064 0.000 0.863 139 T HN 0.447 nan 8.240 nan 0.000 0.436 140 A N 1.086 123.958 122.820 0.087 0.000 2.167 140 A HA 0.083 4.403 4.320 -0.001 0.000 0.214 140 A C 1.610 179.344 177.584 0.249 0.000 1.151 140 A CA 0.806 52.921 52.037 0.131 0.000 0.735 140 A CB -0.326 18.675 19.000 0.003 0.000 0.802 140 A HN 0.518 nan 8.150 nan 0.000 0.467 141 N N -0.210 118.603 118.700 0.188 0.000 2.273 141 N HA 0.426 5.166 4.740 -0.001 0.000 0.231 141 N C 0.222 175.859 175.510 0.212 0.000 1.134 141 N CA 0.335 53.516 53.050 0.218 0.000 0.856 141 N CB 0.600 39.159 38.487 0.121 0.000 1.068 141 N HN 0.435 nan 8.380 nan 0.000 0.510 142 A N 0.599 123.524 122.820 0.175 0.000 2.429 142 A HA 0.342 4.661 4.320 -0.001 0.000 0.242 142 A C 0.854 178.568 177.584 0.218 0.000 1.088 142 A CA -0.396 51.681 52.037 0.066 0.000 0.784 142 A CB 0.076 18.939 19.000 -0.228 0.000 1.038 142 A HN 0.365 nan 8.150 nan 0.000 0.501 143 S N -0.047 115.746 115.700 0.155 0.000 2.589 143 S HA 0.201 4.670 4.470 -0.001 0.000 0.265 143 S C 1.104 175.892 174.600 0.312 0.000 1.342 143 S CA 0.226 58.557 58.200 0.219 0.000 1.005 143 S CB 0.648 63.947 63.200 0.166 0.000 0.909 143 S HN 0.826 nan 8.310 nan 0.000 0.555 144 R N 1.687 122.375 120.500 0.313 0.000 2.103 144 R HA -0.153 4.186 4.340 -0.001 0.000 0.242 144 R C 2.425 178.886 176.300 0.268 0.000 1.142 144 R CA 2.403 58.695 56.100 0.320 0.000 0.960 144 R CB -1.581 28.834 30.300 0.193 0.000 0.858 144 R HN 0.906 nan 8.270 nan 0.000 0.439 145 S N -1.675 114.144 115.700 0.197 0.000 2.383 145 S HA -0.153 4.316 4.470 -0.001 0.000 0.229 145 S C 1.931 176.603 174.600 0.120 0.000 1.030 145 S CA 1.673 59.978 58.200 0.175 0.000 1.002 145 S CB -0.789 62.522 63.200 0.186 0.000 0.829 145 S HN 0.420 nan 8.310 nan 0.000 0.467 146 T N 1.475 116.064 114.554 0.058 0.000 2.777 146 T HA 0.110 4.459 4.350 -0.001 0.000 0.266 146 T C 1.294 175.825 174.700 -0.283 0.000 1.040 146 T CA 1.360 63.401 62.100 -0.099 0.000 1.141 146 T CB -0.546 68.210 68.868 -0.186 0.000 0.868 146 T HN 0.475 nan 8.240 nan 0.000 0.444 147 F N 1.071 120.996 119.950 -0.041 0.000 2.186 147 F HA 0.081 4.608 4.527 -0.001 0.000 0.299 147 F C 2.107 177.878 175.800 -0.048 0.000 1.090 147 F CA 0.683 58.632 58.000 -0.086 0.000 1.307 147 F CB -0.546 38.455 39.000 0.002 0.000 1.019 147 F HN 0.064 nan 8.300 nan 0.000 0.489 148 L N -0.357 121.002 121.223 0.228 0.000 2.083 148 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 148 L C 2.002 179.013 176.870 0.234 0.000 1.083 148 L CA 1.454 56.461 54.840 0.278 0.000 0.752 148 L CB -0.576 41.671 42.059 0.314 0.000 0.899 148 L HN 0.091 nan 8.230 nan 0.000 0.433 149 D N 0.213 120.662 120.400 0.081 0.000 2.178 149 D HA -0.204 4.436 4.640 -0.001 0.000 0.202 149 D C 2.191 178.401 176.300 -0.149 0.000 0.974 149 D CA 0.983 54.989 54.000 0.010 0.000 0.841 149 D CB 0.139 40.989 40.800 0.084 0.000 0.953 149 D HN 0.052 nan 8.370 nan 0.000 0.478 150 K N -0.076 120.038 120.400 -0.476 0.000 2.103 150 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 150 K C 2.081 178.586 176.600 -0.158 0.000 1.048 150 K CA 1.089 56.986 56.287 -0.650 0.000 0.930 150 K CB -0.123 31.910 32.500 -0.777 0.000 0.716 150 K HN 0.219 nan 8.250 nan 0.000 0.444 151 I N 0.787 121.290 120.570 -0.111 0.000 2.179 151 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 151 I C 2.294 178.271 176.117 -0.233 0.000 1.088 151 I CA 0.630 61.859 61.300 -0.118 0.000 1.357 151 I CB -0.292 37.710 38.000 0.002 0.000 1.051 151 I HN 0.203 nan 8.210 nan 0.000 0.409 152 L N 0.544 121.545 121.223 -0.370 0.000 2.012 152 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 152 L C 2.428 179.133 176.870 -0.275 0.000 1.073 152 L CA 1.814 56.316 54.840 -0.564 0.000 0.748 152 L CB -0.533 41.027 42.059 -0.831 0.000 0.891 152 L HN -0.008 nan 8.230 nan 0.000 0.431 153 V N -0.223 119.620 119.914 -0.119 0.000 2.332 153 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 153 V C 2.684 178.681 176.094 -0.162 0.000 1.055 153 V CA 2.065 64.357 62.300 -0.015 0.000 1.038 153 V CB -0.716 31.267 31.823 0.267 0.000 0.651 153 V HN 0.486 nan 8.190 nan 0.000 0.450 154 K N 0.380 120.639 120.400 -0.234 0.000 2.032 154 K HA -0.147 4.172 4.320 -0.001 0.000 0.209 154 K C 1.929 178.195 176.600 -0.556 0.000 1.048 154 K CA 1.736 57.664 56.287 -0.598 0.000 0.927 154 K CB -0.626 31.541 32.500 -0.555 0.000 0.712 154 K HN 0.400 nan 8.250 nan 0.000 0.441 155 L N 0.335 121.292 121.223 -0.444 0.000 2.079 155 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 155 L C 2.156 178.814 176.870 -0.354 0.000 1.081 155 L CA 1.577 56.133 54.840 -0.474 0.000 0.752 155 L CB -0.288 41.430 42.059 -0.568 0.000 0.896 155 L HN 0.175 nan 8.230 nan 0.000 0.433 156 K N -0.877 119.370 120.400 -0.254 0.000 2.365 156 K HA 0.045 4.365 4.320 -0.001 0.000 0.197 156 K C 1.895 178.403 176.600 -0.153 0.000 1.042 156 K CA 0.689 56.885 56.287 -0.152 0.000 0.987 156 K CB 0.176 32.628 32.500 -0.080 0.000 0.779 156 K HN 0.327 nan 8.250 nan 0.000 0.484 157 M N -0.224 119.237 119.600 -0.232 0.000 2.534 157 M HA 0.004 4.484 4.480 -0.001 0.000 0.263 157 M C 0.744 176.969 176.300 -0.125 0.000 1.152 157 M CA 0.525 55.719 55.300 -0.176 0.000 1.145 157 M CB 0.504 32.974 32.600 -0.216 0.000 1.333 157 M HN -0.028 nan 8.290 nan 0.000 0.477 158 Q N 2.323 121.951 119.800 -0.286 0.000 2.844 158 Q HA 0.370 4.709 4.340 -0.001 0.000 0.235 158 Q C -1.230 174.691 176.000 -0.133 0.000 1.336 158 Q CA -0.166 55.515 55.803 -0.204 0.000 1.026 158 Q CB 0.050 28.551 28.738 -0.395 0.000 1.513 158 Q HN 0.391 nan 8.270 nan 0.000 0.577 159 L N 1.748 122.936 121.223 -0.059 0.000 2.352 159 L HA 0.458 4.798 4.340 -0.001 0.000 0.269 159 L C 0.498 177.354 176.870 -0.024 0.000 1.034 159 L CA -1.223 53.587 54.840 -0.049 0.000 0.806 159 L CB 0.961 43.002 42.059 -0.031 0.000 1.244 159 L HN 0.565 nan 8.230 nan 0.000 0.447 160 N N -0.677 118.008 118.700 -0.025 0.000 2.374 160 N HA 0.084 4.823 4.740 -0.001 0.000 0.284 160 N C 0.609 176.120 175.510 0.001 0.000 1.280 160 N CA -0.474 52.569 53.050 -0.011 0.000 0.963 160 N CB 0.109 38.586 38.487 -0.015 0.000 1.141 160 N HN 0.468 nan 8.380 nan 0.000 0.565 161 S N -0.930 114.773 115.700 0.006 0.000 2.419 161 S HA -0.119 4.351 4.470 -0.001 0.000 0.235 161 S C 0.760 175.367 174.600 0.010 0.000 1.019 161 S CA 1.295 59.502 58.200 0.012 0.000 0.982 161 S CB -0.371 62.837 63.200 0.012 0.000 0.789 161 S HN 0.633 nan 8.310 nan 0.000 0.490 162 E N 0.016 120.219 120.200 0.005 0.000 2.479 162 E HA 0.315 4.665 4.350 -0.001 0.000 0.193 162 E C 1.135 177.737 176.600 0.003 0.000 1.049 162 E CA 0.330 56.733 56.400 0.004 0.000 0.870 162 E CB 0.024 29.725 29.700 0.002 0.000 0.944 162 E HN 0.411 nan 8.360 nan 0.000 0.492 163 G N 1.110 109.911 108.800 0.002 0.000 2.147 163 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.244 163 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.244 163 G C 0.022 174.916 174.900 -0.009 0.000 1.005 163 G CA 0.364 45.463 45.100 -0.000 0.000 0.713 163 G HN 0.207 nan 8.290 nan 0.000 0.515 164 K N -0.715 119.676 120.400 -0.016 0.000 2.238 164 K HA 0.702 5.021 4.320 -0.001 0.000 0.239 164 K C 0.270 176.845 176.600 -0.042 0.000 0.987 164 K CA -1.114 55.159 56.287 -0.023 0.000 0.857 164 K CB 1.681 34.169 32.500 -0.019 0.000 1.154 164 K HN 0.146 nan 8.250 nan 0.000 0.439 165 I N 3.432 123.971 120.570 -0.051 0.000 2.301 165 I HA 0.174 4.344 4.170 -0.001 0.000 0.292 165 I C -2.219 173.865 176.117 -0.055 0.000 1.046 165 I CA -2.314 58.939 61.300 -0.079 0.000 1.282 165 I CB 0.714 38.658 38.000 -0.093 0.000 1.409 165 I HN 0.175 nan 8.210 nan 0.000 0.484 166 P HA 0.012 nan 4.420 nan 0.000 0.268 166 P C 1.071 178.336 177.300 -0.060 0.000 1.204 166 P CA -0.115 62.948 63.100 -0.063 0.000 0.768 166 P CB 0.872 32.535 31.700 -0.062 0.000 0.842 167 V N 3.934 123.780 119.914 -0.112 0.000 2.469 167 V HA -0.270 3.849 4.120 -0.001 0.000 0.251 167 V C 2.114 177.932 176.094 -0.459 0.000 1.064 167 V CA 1.837 63.981 62.300 -0.260 0.000 1.066 167 V CB -0.954 30.664 31.823 -0.341 0.000 0.667 167 V HN 0.648 nan 8.190 nan 0.000 0.461 168 K N 0.107 120.348 120.400 -0.265 0.000 2.211 168 K HA -0.192 4.128 4.320 -0.001 0.000 0.204 168 K C 1.893 178.454 176.600 -0.065 0.000 1.047 168 K CA 1.545 57.763 56.287 -0.115 0.000 0.935 168 K CB -0.257 32.270 32.500 0.045 0.000 0.728 168 K HN 0.473 nan 8.250 nan 0.000 0.452 169 N N 0.263 118.896 118.700 -0.111 0.000 2.244 169 N HA -0.099 4.641 4.740 -0.001 0.000 0.183 169 N C 1.382 176.775 175.510 -0.196 0.000 1.016 169 N CA 1.014 53.965 53.050 -0.165 0.000 0.866 169 N CB -0.238 38.098 38.487 -0.252 0.000 0.980 169 N HN 0.101 nan 8.380 nan 0.000 0.430 170 F N -0.077 119.741 119.950 -0.221 0.000 2.146 170 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 170 F C 1.665 177.590 175.800 0.208 0.000 1.096 170 F CA 0.788 58.758 58.000 -0.051 0.000 1.275 170 F CB -0.317 38.558 39.000 -0.208 0.000 1.008 170 F HN -0.047 nan 8.300 nan 0.000 0.480 171 F N 0.341 120.468 119.950 0.295 0.000 2.186 171 F HA -0.168 4.358 4.527 -0.001 0.000 0.299 171 F C 2.379 178.263 175.800 0.141 0.000 1.090 171 F CA 0.933 59.065 58.000 0.219 0.000 1.307 171 F CB -1.506 37.581 39.000 0.146 0.000 1.019 171 F HN 0.068 nan 8.300 nan 0.000 0.489 172 Q N -1.072 118.868 119.800 0.233 0.000 2.123 172 Q HA -0.199 4.141 4.340 -0.001 0.000 0.199 172 Q C 2.207 178.199 176.000 -0.013 0.000 0.966 172 Q CA 1.436 57.291 55.803 0.087 0.000 0.845 172 Q CB -0.312 28.434 28.738 0.014 0.000 0.907 172 Q HN 0.296 nan 8.270 nan 0.000 0.439 173 M N -0.323 119.215 119.600 -0.103 0.000 2.200 173 M HA -0.045 4.434 4.480 -0.001 0.000 0.265 173 M C -0.262 175.714 176.300 -0.539 0.000 1.066 173 M CA 1.493 56.552 55.300 -0.403 0.000 1.127 173 M CB 0.451 32.682 32.600 -0.615 0.000 1.379 173 M HN -0.008 nan 8.290 nan 0.000 0.420 174 F N 0.253 120.286 119.950 0.137 0.000 2.449 174 F HA 0.406 4.932 4.527 -0.001 0.000 0.344 174 F C -1.793 174.140 175.800 0.223 0.000 1.180 174 F CA -1.661 56.453 58.000 0.189 0.000 1.209 174 F CB 0.377 39.552 39.000 0.292 0.000 1.440 174 F HN 0.099 nan 8.300 nan 0.000 0.526 175 P HA 0.009 nan 4.420 nan 0.000 0.240 175 P C 1.384 178.787 177.300 0.172 0.000 1.190 175 P CA 0.653 63.873 63.100 0.200 0.000 0.781 175 P CB 0.430 32.206 31.700 0.127 0.000 0.931 176 A N -0.050 122.894 122.820 0.206 0.000 1.902 176 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 176 A C 1.194 178.843 177.584 0.107 0.000 1.181 176 A CA 1.492 53.620 52.037 0.151 0.000 0.623 176 A CB -0.692 18.411 19.000 0.171 0.000 0.818 176 A HN 0.135 nan 8.150 nan 0.000 0.443 177 D N -2.106 118.369 120.400 0.125 0.000 2.336 177 D HA 0.223 4.863 4.640 -0.001 0.000 0.248 177 D C 0.735 177.070 176.300 0.058 0.000 1.326 177 D CA -0.456 53.583 54.000 0.065 0.000 0.973 177 D CB 0.804 41.632 40.800 0.046 0.000 1.255 177 D HN 0.230 nan 8.370 nan 0.000 0.558 178 R N 2.890 123.374 120.500 -0.025 0.000 2.081 178 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 178 R C 1.437 177.687 176.300 -0.084 0.000 1.131 178 R CA 1.306 57.316 56.100 -0.151 0.000 0.960 178 R CB 0.300 30.356 30.300 -0.406 0.000 0.856 178 R HN 0.230 nan 8.270 nan 0.000 0.436 179 K N -0.131 120.233 120.400 -0.060 0.000 2.103 179 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 179 K C 2.270 178.872 176.600 0.004 0.000 1.048 179 K CA 1.691 57.961 56.287 -0.029 0.000 0.930 179 K CB -0.080 32.400 32.500 -0.033 0.000 0.716 179 K HN 0.217 nan 8.250 nan 0.000 0.444 180 R N 0.349 120.853 120.500 0.008 0.000 2.090 180 R HA -0.053 4.286 4.340 -0.001 0.000 0.228 180 R C 2.281 178.590 176.300 0.015 0.000 1.110 180 R CA 0.880 56.976 56.100 -0.006 0.000 0.973 180 R CB -0.241 30.046 30.300 -0.021 0.000 0.869 180 R HN -0.004 nan 8.270 nan 0.000 0.440 181 V N 1.308 121.292 119.914 0.118 0.000 2.307 181 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 181 V C 1.956 178.210 176.094 0.267 0.000 1.045 181 V CA 1.809 64.258 62.300 0.249 0.000 1.024 181 V CB -0.431 31.703 31.823 0.517 0.000 0.651 181 V HN 0.327 nan 8.190 nan 0.000 0.449 182 E N 0.449 120.809 120.200 0.267 0.000 2.058 182 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 182 E C 2.318 178.969 176.600 0.085 0.000 0.997 182 E CA 1.493 58.015 56.400 0.205 0.000 0.801 182 E CB -0.395 29.397 29.700 0.154 0.000 0.746 182 E HN 0.598 nan 8.360 nan 0.000 0.450 183 A N 1.202 124.046 122.820 0.040 0.000 1.933 183 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 183 A C 2.341 179.910 177.584 -0.024 0.000 1.175 183 A CA 1.679 53.711 52.037 -0.009 0.000 0.628 183 A CB -0.555 18.427 19.000 -0.031 0.000 0.814 183 A HN 0.302 nan 8.150 nan 0.000 0.444 184 A N -0.440 122.359 122.820 -0.035 0.000 1.929 184 A HA 0.080 4.399 4.320 -0.001 0.000 0.216 184 A C 2.141 179.799 177.584 0.123 0.000 1.176 184 A CA 1.244 53.234 52.037 -0.079 0.000 0.628 184 A CB -0.484 18.251 19.000 -0.441 0.000 0.816 184 A HN 0.457 nan 8.150 nan 0.000 0.444 185 L N -0.891 120.429 121.223 0.162 0.000 2.017 185 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 185 L C 2.912 179.786 176.870 0.007 0.000 1.073 185 L CA 1.561 56.439 54.840 0.064 0.000 0.745 185 L CB -0.486 41.506 42.059 -0.113 0.000 0.894 185 L HN 0.474 nan 8.230 nan 0.000 0.432 186 S N -0.286 115.404 115.700 -0.018 0.000 2.383 186 S HA -0.189 4.281 4.470 -0.001 0.000 0.229 186 S C 2.051 176.567 174.600 -0.140 0.000 1.030 186 S CA 1.233 59.389 58.200 -0.073 0.000 1.002 186 S CB -0.125 63.039 63.200 -0.060 0.000 0.829 186 S HN 0.441 nan 8.310 nan 0.000 0.467 187 A N -0.536 122.235 122.820 -0.081 0.000 2.067 187 A HA -0.029 4.290 4.320 -0.001 0.000 0.219 187 A C 2.011 179.573 177.584 -0.036 0.000 1.158 187 A CA 1.281 53.265 52.037 -0.087 0.000 0.661 187 A CB -0.817 18.157 19.000 -0.042 0.000 0.801 187 A HN 0.686 nan 8.150 nan 0.000 0.452 188 C N -0.833 118.492 119.300 0.042 0.000 2.780 188 C HA 0.283 4.743 4.460 -0.001 0.000 0.287 188 C C 0.433 175.550 174.990 0.212 0.000 1.288 188 C CA -0.285 58.830 59.018 0.162 0.000 1.713 188 C CB -1.790 26.094 27.740 0.240 0.000 1.955 188 C HN 0.741 nan 8.230 nan 0.000 0.613 189 H N -0.382 118.716 119.070 0.047 0.000 2.770 189 H HA -0.153 4.403 4.556 -0.000 0.000 0.309 189 H C -0.171 175.167 175.328 0.016 0.000 1.206 189 H CA 0.757 56.821 56.048 0.028 0.000 1.147 189 H CB -1.646 28.133 29.762 0.028 0.000 1.422 189 H HN 0.479 nan 8.280 nan 0.000 0.420 190 L N 1.195 122.448 121.223 0.050 0.000 2.330 190 L HA 0.467 4.806 4.340 -0.001 0.000 0.271 190 L C -1.678 175.155 176.870 -0.061 0.000 1.013 190 L CA -1.932 52.897 54.840 -0.018 0.000 0.816 190 L CB 1.501 43.503 42.059 -0.094 0.000 1.287 190 L HN -0.105 nan 8.230 nan 0.000 0.435 191 P HA 0.080 nan 4.420 nan 0.000 0.271 191 P C -0.871 176.364 177.300 -0.107 0.000 1.218 191 P CA -0.271 62.787 63.100 -0.070 0.000 0.780 191 P CB 0.667 32.330 31.700 -0.061 0.000 0.901 192 K N 0.460 120.832 120.400 -0.046 0.000 2.438 192 K HA 0.283 4.602 4.320 -0.001 0.000 0.206 192 K C 0.837 177.487 176.600 0.083 0.000 1.081 192 K CA -0.490 55.797 56.287 0.001 0.000 1.053 192 K CB 0.038 32.569 32.500 0.052 0.000 0.908 192 K HN 0.391 nan 8.250 nan 0.000 0.556 193 G N 1.977 110.801 108.800 0.040 0.000 2.380 193 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.242 193 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.242 193 G C 0.291 175.251 174.900 0.099 0.000 1.298 193 G CA -0.334 44.808 45.100 0.071 0.000 0.878 193 G HN 0.259 nan 8.290 nan 0.000 0.542 194 K N 1.443 121.947 120.400 0.173 0.000 2.127 194 K HA -0.134 4.185 4.320 -0.001 0.000 0.208 194 K C 1.266 177.933 176.600 0.112 0.000 1.047 194 K CA 1.586 58.014 56.287 0.236 0.000 0.927 194 K CB 0.075 32.692 32.500 0.195 0.000 0.716 194 K HN 0.505 nan 8.250 nan 0.000 0.450 195 N N 1.100 119.838 118.700 0.063 0.000 2.238 195 N HA 0.030 4.770 4.740 -0.001 0.000 0.222 195 N C -0.942 174.571 175.510 0.006 0.000 1.133 195 N CA 0.083 53.152 53.050 0.032 0.000 0.854 195 N CB 0.529 39.036 38.487 0.033 0.000 1.041 195 N HN 0.168 nan 8.380 nan 0.000 0.510 196 D N 0.837 121.232 120.400 -0.009 0.000 2.387 196 D HA 0.544 5.183 4.640 -0.001 0.000 0.251 196 D C 0.044 176.313 176.300 -0.051 0.000 1.141 196 D CA -0.119 53.863 54.000 -0.029 0.000 0.987 196 D CB 1.620 42.398 40.800 -0.038 0.000 1.116 196 D HN 0.100 nan 8.370 nan 0.000 0.491 197 A N 0.412 123.203 122.820 -0.049 0.000 2.515 197 A HA 0.734 5.053 4.320 -0.001 0.000 0.296 197 A C -1.048 176.503 177.584 -0.055 0.000 1.094 197 A CA -0.615 51.391 52.037 -0.052 0.000 0.718 197 A CB 1.137 20.116 19.000 -0.034 0.000 1.307 197 A HN 0.464 nan 8.150 nan 0.000 0.408 198 I N 1.487 122.023 120.570 -0.056 0.000 2.465 198 I HA 0.249 4.418 4.170 -0.001 0.000 0.291 198 I C -0.696 175.408 176.117 -0.021 0.000 1.014 198 I CA -0.954 60.313 61.300 -0.055 0.000 1.093 198 I CB 2.052 39.984 38.000 -0.114 0.000 1.267 198 I HN 0.554 nan 8.210 nan 0.000 0.431 199 N N 8.215 126.915 118.700 -0.001 0.000 2.447 199 N HA 0.057 4.796 4.740 -0.001 0.000 0.263 199 N C -1.586 173.950 175.510 0.043 0.000 1.226 199 N CA -1.426 51.634 53.050 0.017 0.000 0.906 199 N CB 0.490 38.991 38.487 0.023 0.000 1.060 199 N HN 0.375 nan 8.380 nan 0.000 0.468 200 P HA -0.127 nan 4.420 nan 0.000 0.219 200 P C 0.410 177.764 177.300 0.090 0.000 1.146 200 P CA 1.162 64.302 63.100 0.067 0.000 0.808 200 P CB 0.456 32.170 31.700 0.024 0.000 0.779 201 E N -0.138 120.098 120.200 0.060 0.000 2.265 201 E HA -0.134 4.215 4.350 -0.001 0.000 0.196 201 E C 1.293 177.937 176.600 0.072 0.000 0.996 201 E CA 0.944 57.375 56.400 0.052 0.000 0.832 201 E CB -0.696 29.023 29.700 0.033 0.000 0.756 201 E HN 0.246 nan 8.360 nan 0.000 0.491 202 D N -1.073 119.389 120.400 0.103 0.000 2.340 202 D HA 0.014 4.654 4.640 -0.001 0.000 0.220 202 D C -0.552 175.896 176.300 0.247 0.000 1.039 202 D CA 0.252 54.331 54.000 0.131 0.000 0.866 202 D CB 0.183 41.048 40.800 0.107 0.000 0.913 202 D HN 0.061 nan 8.370 nan 0.000 0.523 203 F N 1.589 121.553 119.950 0.024 0.000 2.597 203 F HA 0.288 4.814 4.527 -0.001 0.000 0.336 203 F C -2.364 173.452 175.800 0.026 0.000 1.432 203 F CA -2.393 55.632 58.000 0.041 0.000 1.120 203 F CB 0.867 39.899 39.000 0.054 0.000 1.253 203 F HN -0.207 nan 8.300 nan 0.000 0.546 204 P HA 0.074 nan 4.420 nan 0.000 0.277 204 P C 0.854 178.042 177.300 -0.188 0.000 1.271 204 P CA -0.010 63.031 63.100 -0.098 0.000 0.795 204 P CB 1.056 32.728 31.700 -0.048 0.000 1.101 205 E N 0.761 120.883 120.200 -0.130 0.000 2.086 205 E HA -0.201 4.149 4.350 -0.001 0.000 0.200 205 E C -0.763 175.756 176.600 -0.135 0.000 1.012 205 E CA 2.091 58.424 56.400 -0.111 0.000 0.812 205 E CB -1.336 28.309 29.700 -0.092 0.000 0.743 205 E HN 0.363 nan 8.360 nan 0.000 0.453 206 P HA -0.119 nan 4.420 nan 0.000 0.218 206 P C 1.512 178.768 177.300 -0.074 0.000 1.149 206 P CA 0.984 64.028 63.100 -0.093 0.000 0.817 206 P CB -0.001 31.672 31.700 -0.046 0.000 0.785 207 V N -0.985 118.865 119.914 -0.106 0.000 2.379 207 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 207 V C 2.547 178.539 176.094 -0.170 0.000 1.044 207 V CA 1.467 63.716 62.300 -0.085 0.000 1.036 207 V CB -1.549 30.242 31.823 -0.052 0.000 0.664 207 V HN -0.030 nan 8.190 nan 0.000 0.453 208 Y N 1.588 121.496 120.300 -0.652 0.000 2.165 208 Y HA -0.266 4.283 4.550 -0.001 0.000 0.286 208 Y C 2.448 178.323 175.900 -0.042 0.000 1.155 208 Y CA 1.752 59.506 58.100 -0.577 0.000 1.164 208 Y CB -0.374 37.719 38.460 -0.612 0.000 0.978 208 Y HN 0.178 nan 8.280 nan 0.000 0.513 209 K N -0.523 119.736 120.400 -0.236 0.000 2.063 209 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 209 K C 2.305 178.991 176.600 0.143 0.000 1.048 209 K CA 1.697 57.870 56.287 -0.189 0.000 0.928 209 K CB -0.310 31.979 32.500 -0.352 0.000 0.713 209 K HN 0.212 nan 8.250 nan 0.000 0.442 210 S N 0.833 116.600 115.700 0.112 0.000 2.368 210 S HA -0.154 4.316 4.470 -0.001 0.000 0.225 210 S C 1.608 176.294 174.600 0.145 0.000 1.030 210 S CA 1.184 59.466 58.200 0.137 0.000 0.999 210 S CB -0.332 62.941 63.200 0.122 0.000 0.844 210 S HN 0.322 nan 8.310 nan 0.000 0.459 211 F N 2.400 122.382 119.950 0.054 0.000 2.095 211 F HA -0.096 4.430 4.527 -0.001 0.000 0.298 211 F C 1.791 177.603 175.800 0.020 0.000 1.104 211 F CA 1.333 59.388 58.000 0.092 0.000 1.232 211 F CB -0.398 38.785 39.000 0.306 0.000 0.987 211 F HN 0.086 nan 8.300 nan 0.000 0.475 212 L N -0.385 120.827 121.223 -0.017 0.000 2.083 212 L HA -0.250 4.090 4.340 -0.001 0.000 0.209 212 L C 2.465 179.294 176.870 -0.069 0.000 1.083 212 L CA 0.933 55.725 54.840 -0.079 0.000 0.752 212 L CB -0.621 41.484 42.059 0.078 0.000 0.899 212 L HN 0.237 nan 8.230 nan 0.000 0.433 213 M N -1.143 118.456 119.600 -0.001 0.000 2.296 213 M HA -0.142 4.337 4.480 -0.001 0.000 0.265 213 M C 2.513 178.737 176.300 -0.127 0.000 1.064 213 M CA 1.312 56.571 55.300 -0.069 0.000 1.109 213 M CB -1.168 31.419 32.600 -0.021 0.000 1.396 213 M HN 0.181 nan 8.290 nan 0.000 0.430 214 S N 0.505 116.117 115.700 -0.146 0.000 2.362 214 S HA -0.052 4.418 4.470 -0.001 0.000 0.221 214 S C 1.815 176.277 174.600 -0.231 0.000 1.032 214 S CA 0.637 58.736 58.200 -0.169 0.000 0.973 214 S CB -0.114 63.000 63.200 -0.144 0.000 0.849 214 S HN 0.352 nan 8.310 nan 0.000 0.465 215 L N 1.226 122.232 121.223 -0.361 0.000 2.056 215 L HA 0.216 4.556 4.340 -0.001 0.000 0.207 215 L C 1.212 177.941 176.870 -0.235 0.000 1.078 215 L CA 1.530 56.163 54.840 -0.345 0.000 0.749 215 L CB -0.550 41.163 42.059 -0.575 0.000 0.901 215 L HN 0.535 nan 8.230 nan 0.000 0.433 216 C N 1.721 120.889 119.300 -0.220 0.000 3.169 216 C HA 0.507 4.966 4.460 -0.001 0.000 0.232 216 C C -2.328 172.530 174.990 -0.220 0.000 1.316 216 C CA -2.106 56.758 59.018 -0.256 0.000 1.545 216 C CB -0.884 26.676 27.740 -0.299 0.000 1.785 216 C HN 0.229 nan 8.230 nan 0.000 0.454 217 P HA 0.221 nan 4.420 nan 0.000 0.269 217 P C -0.336 176.835 177.300 -0.216 0.000 1.215 217 P CA 0.367 63.348 63.100 -0.198 0.000 0.780 217 P CB 0.429 32.027 31.700 -0.170 0.000 0.898 218 R N 2.884 123.244 120.500 -0.234 0.000 2.835 218 R HA 0.203 4.542 4.340 -0.001 0.000 0.290 218 R C -1.998 174.170 176.300 -0.220 0.000 1.410 218 R CA -1.518 54.432 56.100 -0.250 0.000 1.590 218 R CB 0.365 30.468 30.300 -0.328 0.000 1.288 218 R HN 0.419 nan 8.270 nan 0.000 0.637 219 P HA -0.164 nan 4.420 nan 0.000 0.222 219 P C 1.022 178.257 177.300 -0.108 0.000 1.147 219 P CA 1.016 64.031 63.100 -0.142 0.000 0.790 219 P CB 0.408 32.038 31.700 -0.118 0.000 0.780 220 E N 0.630 120.774 120.200 -0.094 0.000 2.268 220 E HA -0.118 4.232 4.350 -0.001 0.000 0.195 220 E C 1.942 178.527 176.600 -0.026 0.000 0.995 220 E CA 0.809 57.194 56.400 -0.025 0.000 0.836 220 E CB -0.975 28.752 29.700 0.045 0.000 0.763 220 E HN 0.308 nan 8.360 nan 0.000 0.491 221 I N 1.594 122.082 120.570 -0.135 0.000 2.480 221 I HA -0.174 3.996 4.170 -0.001 0.000 0.251 221 I C 1.451 177.546 176.117 -0.036 0.000 1.124 221 I CA 1.045 62.251 61.300 -0.158 0.000 1.444 221 I CB -0.159 37.653 38.000 -0.314 0.000 1.098 221 I HN -0.083 nan 8.210 nan 0.000 0.428 222 D N 0.803 121.144 120.400 -0.098 0.000 2.221 222 D HA -0.244 4.395 4.640 -0.001 0.000 0.204 222 D C 1.890 178.206 176.300 0.027 0.000 0.982 222 D CA 1.023 54.951 54.000 -0.119 0.000 0.857 222 D CB -0.240 40.430 40.800 -0.216 0.000 0.934 222 D HN 0.395 nan 8.370 nan 0.000 0.475 223 E N -0.138 120.069 120.200 0.012 0.000 2.347 223 E HA -0.045 4.304 4.350 -0.001 0.000 0.196 223 E C 1.862 178.485 176.600 0.039 0.000 1.008 223 E CA 0.124 56.538 56.400 0.024 0.000 0.852 223 E CB 0.046 29.750 29.700 0.007 0.000 0.783 223 E HN 0.290 nan 8.360 nan 0.000 0.505 224 I N 0.175 120.756 120.570 0.018 0.000 2.676 224 I HA -0.167 4.003 4.170 -0.001 0.000 0.259 224 I C 0.428 176.473 176.117 -0.120 0.000 1.194 224 I CA 0.457 61.693 61.300 -0.108 0.000 1.473 224 I CB -0.001 37.786 38.000 -0.355 0.000 1.096 224 I HN 0.026 nan 8.210 nan 0.000 0.443 225 F N 2.192 122.057 119.950 -0.142 0.000 2.662 225 F HA 0.068 4.595 4.527 -0.000 0.000 0.365 225 F C 1.048 176.812 175.800 -0.060 0.000 1.222 225 F CA -0.163 57.765 58.000 -0.120 0.000 1.315 225 F CB -0.575 38.328 39.000 -0.161 0.000 1.711 225 F HN 0.044 nan 8.300 nan 0.000 0.651 236 M N 2.602 122.372 119.600 0.283 0.000 2.393 236 M HA 0.506 4.986 4.480 -0.001 0.000 0.316 236 M C -0.318 176.052 176.300 0.116 0.000 1.087 236 M CA -0.734 54.615 55.300 0.082 0.000 0.937 236 M CB 2.420 34.994 32.600 -0.043 0.000 1.668 236 M HN 0.804 nan 8.290 nan 0.000 0.438 237 T N -1.239 113.377 114.554 0.104 0.000 2.888 237 T HA 0.433 4.783 4.350 -0.001 0.000 0.283 237 T C 0.983 175.732 174.700 0.081 0.000 1.013 237 T CA -0.769 61.387 62.100 0.093 0.000 0.938 237 T CB 1.150 70.068 68.868 0.083 0.000 1.298 237 T HN 0.621 nan 8.240 nan 0.000 0.580 238 K N 0.302 120.738 120.400 0.061 0.000 2.009 238 K HA -0.180 4.140 4.320 -0.001 0.000 0.210 238 K C 2.363 178.995 176.600 0.054 0.000 1.049 238 K CA 1.880 58.194 56.287 0.045 0.000 0.929 238 K CB -0.287 32.234 32.500 0.035 0.000 0.714 238 K HN 0.764 nan 8.250 nan 0.000 0.440 239 E N 0.194 120.433 120.200 0.064 0.000 2.085 239 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 239 E C 2.002 178.640 176.600 0.064 0.000 0.994 239 E CA 1.430 57.864 56.400 0.058 0.000 0.801 239 E CB -0.016 29.720 29.700 0.060 0.000 0.743 239 E HN 0.366 nan 8.360 nan 0.000 0.453 240 H N -0.738 118.342 119.070 0.016 0.000 2.395 240 H HA -0.054 4.502 4.556 -0.001 0.000 0.299 240 H C 1.892 177.227 175.328 0.010 0.000 1.070 240 H CA 1.264 57.317 56.048 0.008 0.000 1.356 240 H CB 0.164 29.923 29.762 -0.006 0.000 1.401 240 H HN 0.160 nan 8.280 nan 0.000 0.524 241 L N -0.126 121.169 121.223 0.120 0.000 2.156 241 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 241 L C 2.028 178.960 176.870 0.103 0.000 1.095 241 L CA 1.681 56.566 54.840 0.075 0.000 0.770 241 L CB -0.645 41.403 42.059 -0.019 0.000 0.914 241 L HN 0.239 nan 8.230 nan 0.000 0.439 242 T N -0.757 113.832 114.554 0.058 0.000 2.788 242 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 242 T C 1.885 176.607 174.700 0.036 0.000 1.044 242 T CA 1.616 63.743 62.100 0.044 0.000 1.139 242 T CB -0.181 68.703 68.868 0.027 0.000 0.867 242 T HN 0.304 nan 8.240 nan 0.000 0.454 243 K N 0.160 120.567 120.400 0.011 0.000 2.057 243 K HA -0.105 4.215 4.320 -0.001 0.000 0.207 243 K C 2.062 178.674 176.600 0.019 0.000 1.049 243 K CA 1.178 57.447 56.287 -0.030 0.000 0.931 243 K CB -0.294 32.120 32.500 -0.143 0.000 0.714 243 K HN 0.322 nan 8.250 nan 0.000 0.440 244 F N 1.544 121.453 119.950 -0.069 0.000 2.102 244 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 244 F C 1.741 177.580 175.800 0.065 0.000 1.105 244 F CA 1.433 59.426 58.000 -0.011 0.000 1.239 244 F CB -0.216 38.769 39.000 -0.025 0.000 0.991 244 F HN -0.047 nan 8.300 nan 0.000 0.474 245 I N 0.621 121.181 120.570 -0.016 0.000 2.226 245 I HA -0.334 3.835 4.170 -0.001 0.000 0.245 245 I C 1.900 177.963 176.117 -0.089 0.000 1.100 245 I CA 1.355 62.619 61.300 -0.060 0.000 1.374 245 I CB -0.607 37.468 38.000 0.125 0.000 1.057 245 I HN 0.210 nan 8.210 nan 0.000 0.413 246 N N 0.184 118.856 118.700 -0.047 0.000 2.300 246 N HA -0.108 4.632 4.740 -0.001 0.000 0.179 246 N C 1.798 177.275 175.510 -0.055 0.000 1.016 246 N CA 0.993 54.021 53.050 -0.037 0.000 0.876 246 N CB -0.039 38.439 38.487 -0.015 0.000 0.979 246 N HN 0.514 nan 8.380 nan 0.000 0.432 247 Q N -0.062 119.693 119.800 -0.075 0.000 2.200 247 Q HA 0.146 4.486 4.340 -0.001 0.000 0.197 247 Q C 1.513 177.475 176.000 -0.064 0.000 0.953 247 Q CA 0.574 56.343 55.803 -0.055 0.000 0.851 247 Q CB 0.360 29.078 28.738 -0.034 0.000 0.938 247 Q HN 0.079 nan 8.270 nan 0.000 0.488 248 K N 0.267 120.573 120.400 -0.157 0.000 2.141 248 K HA 0.041 4.361 4.320 -0.001 0.000 0.202 248 K C 1.862 178.385 176.600 -0.128 0.000 1.045 248 K CA 0.701 56.926 56.287 -0.103 0.000 0.971 248 K CB 0.183 32.574 32.500 -0.182 0.000 0.795 248 K HN 0.097 nan 8.250 nan 0.000 0.459 249 Q N 0.631 120.264 119.800 -0.278 0.000 2.472 249 Q HA 0.044 4.384 4.340 -0.001 0.000 0.208 249 Q C 0.577 176.518 176.000 -0.099 0.000 0.958 249 Q CA 0.417 56.110 55.803 -0.183 0.000 0.932 249 Q CB 0.414 29.056 28.738 -0.160 0.000 1.007 249 Q HN 0.217 nan 8.270 nan 0.000 0.508 267 V N 1.476 121.402 119.914 0.021 0.000 2.453 267 V HA -0.217 3.902 4.120 -0.001 0.000 0.247 267 V C 2.105 178.195 176.094 -0.008 0.000 1.048 267 V CA 2.376 64.674 62.300 -0.003 0.000 1.049 267 V CB -0.278 31.545 31.823 -0.000 0.000 0.672 267 V HN 0.254 nan 8.190 nan 0.000 0.457 268 Q N 1.328 121.133 119.800 0.009 0.000 2.170 268 Q HA -0.084 4.256 4.340 -0.001 0.000 0.203 268 Q C 2.140 178.149 176.000 0.016 0.000 0.976 268 Q CA 2.076 57.887 55.803 0.014 0.000 0.858 268 Q CB -0.920 27.829 28.738 0.018 0.000 0.907 268 Q HN 0.534 nan 8.270 nan 0.000 0.433 269 G N 0.208 109.019 108.800 0.019 0.000 2.432 269 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.219 269 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.219 269 G C 1.303 176.218 174.900 0.025 0.000 1.135 269 G CA 0.835 45.947 45.100 0.019 0.000 0.767 269 G HN 0.396 nan 8.290 nan 0.000 0.550 270 L N -0.049 121.199 121.223 0.042 0.000 2.109 270 L HA 0.066 4.405 4.340 -0.001 0.000 0.207 270 L C 2.782 179.718 176.870 0.110 0.000 1.086 270 L CA 0.460 55.359 54.840 0.098 0.000 0.760 270 L CB -0.285 41.765 42.059 -0.015 0.000 0.910 270 L HN 0.191 nan 8.230 nan 0.000 0.437 271 I N -0.198 120.396 120.570 0.040 0.000 2.179 271 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 271 I C 2.084 178.241 176.117 0.066 0.000 1.088 271 I CA 1.203 62.539 61.300 0.060 0.000 1.357 271 I CB -0.419 37.604 38.000 0.038 0.000 1.051 271 I HN 0.249 nan 8.210 nan 0.000 0.409 272 D N 0.868 121.288 120.400 0.032 0.000 2.182 272 D HA -0.212 4.428 4.640 -0.001 0.000 0.201 272 D C 2.075 178.361 176.300 -0.023 0.000 0.986 272 D CA 1.234 55.241 54.000 0.011 0.000 0.847 272 D CB -0.152 40.648 40.800 0.001 0.000 0.942 272 D HN 0.329 nan 8.370 nan 0.000 0.467 273 K N -0.689 119.667 120.400 -0.074 0.000 2.076 273 K HA -0.091 4.228 4.320 -0.001 0.000 0.204 273 K C 1.556 177.978 176.600 -0.296 0.000 1.051 273 K CA 0.841 56.977 56.287 -0.251 0.000 0.949 273 K CB 0.118 32.361 32.500 -0.428 0.000 0.726 273 K HN 0.190 nan 8.250 nan 0.000 0.443 274 Y N -0.013 120.358 120.300 0.118 0.000 2.498 274 Y HA 0.131 4.681 4.550 -0.001 0.000 0.259 274 Y C 0.198 176.211 175.900 0.189 0.000 1.086 274 Y CA -0.600 57.612 58.100 0.186 0.000 1.287 274 Y CB 0.608 39.230 38.460 0.269 0.000 1.146 274 Y HN 0.016 nan 8.280 nan 0.000 0.523 275 E N 2.280 122.627 120.200 0.246 0.000 2.299 275 E HA 0.054 4.404 4.350 -0.001 0.000 0.272 275 E C -1.956 174.733 176.600 0.148 0.000 1.043 275 E CA -1.831 54.678 56.400 0.182 0.000 0.895 275 E CB 0.947 30.723 29.700 0.126 0.000 1.011 275 E HN 0.073 nan 8.360 nan 0.000 0.432 276 P HA -0.059 nan 4.420 nan 0.000 0.217 276 P C 0.126 177.475 177.300 0.083 0.000 1.151 276 P CA 0.566 63.737 63.100 0.119 0.000 0.828 276 P CB 0.227 32.014 31.700 0.146 0.000 0.788 287 S N 3.442 118.971 115.700 -0.284 0.000 2.669 287 S HA 0.659 5.128 4.470 -0.001 0.000 0.270 287 S C -2.120 172.169 174.600 -0.519 0.000 1.225 287 S CA -0.872 56.880 58.200 -0.746 0.000 0.991 287 S CB 1.148 64.033 63.200 -0.525 0.000 0.987 287 S HN 0.579 nan 8.310 nan 0.000 0.552 288 P HA -0.157 nan 4.420 nan 0.000 0.216 288 P C 1.428 178.505 177.300 -0.371 0.000 1.153 288 P CA 1.452 64.133 63.100 -0.698 0.000 0.858 288 P CB 0.021 31.288 31.700 -0.721 0.000 0.789 289 E N -0.600 119.395 120.200 -0.342 0.000 2.077 289 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 289 E C 2.204 178.635 176.600 -0.281 0.000 0.989 289 E CA 1.366 57.564 56.400 -0.338 0.000 0.800 289 E CB -0.922 28.691 29.700 -0.146 0.000 0.746 289 E HN 0.144 nan 8.360 nan 0.000 0.452 290 G N 1.094 109.858 108.800 -0.061 0.000 2.440 290 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.218 290 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.218 290 G C 1.478 176.432 174.900 0.091 0.000 1.154 290 G CA 1.137 46.307 45.100 0.116 0.000 0.767 290 G HN 0.276 nan 8.290 nan 0.000 0.552 291 M N 0.588 120.202 119.600 0.024 0.000 2.175 291 M HA 0.044 4.523 4.480 -0.001 0.000 0.264 291 M C 2.464 178.718 176.300 -0.076 0.000 1.063 291 M CA 1.096 56.424 55.300 0.047 0.000 1.119 291 M CB -0.351 32.299 32.600 0.084 0.000 1.377 291 M HN 0.019 nan 8.290 nan 0.000 0.415 292 V N -0.551 119.182 119.914 -0.302 0.000 2.255 292 V HA -0.320 3.799 4.120 -0.001 0.000 0.247 292 V C 2.016 177.858 176.094 -0.421 0.000 1.051 292 V CA 2.441 64.427 62.300 -0.524 0.000 1.018 292 V CB -1.207 30.045 31.823 -0.951 0.000 0.641 292 V HN 0.673 nan 8.190 nan 0.000 0.445 293 W N -1.024 120.235 121.300 -0.068 0.000 2.388 293 W HA -0.142 4.517 4.660 -0.001 0.000 0.294 293 W C 2.401 178.675 176.519 -0.408 0.000 1.212 293 W CA 0.617 57.915 57.345 -0.078 0.000 1.271 293 W CB -0.574 28.973 29.460 0.145 0.000 1.126 293 W HN 0.268 nan 8.180 nan 0.000 0.535 294 F N 1.203 120.857 119.950 -0.494 0.000 2.095 294 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 294 F C 1.923 177.515 175.800 -0.347 0.000 1.104 294 F CA 1.666 59.142 58.000 -0.874 0.000 1.232 294 F CB -0.850 37.931 39.000 -0.365 0.000 0.987 294 F HN -0.228 nan 8.300 nan 0.000 0.475 295 L N -0.790 120.211 121.223 -0.369 0.000 2.275 295 L HA -0.209 4.130 4.340 -0.001 0.000 0.215 295 L C 2.199 179.058 176.870 -0.019 0.000 1.119 295 L CA 0.653 55.361 54.840 -0.219 0.000 0.790 295 L CB -0.776 41.351 42.059 0.115 0.000 0.919 295 L HN 0.266 nan 8.230 nan 0.000 0.443 296 C N -0.205 119.008 119.300 -0.145 0.000 2.618 296 C HA 0.216 4.675 4.460 -0.001 0.000 0.264 296 C C 1.666 176.678 174.990 0.037 0.000 1.334 296 C CA -0.468 58.485 59.018 -0.109 0.000 1.731 296 C CB -1.292 26.408 27.740 -0.067 0.000 1.852 296 C HN 0.481 nan 8.230 nan 0.000 0.566 297 G N 1.534 110.313 108.800 -0.036 0.000 2.562 297 G HA2 0.351 4.311 3.960 -0.001 0.000 0.275 297 G HA3 0.351 4.311 3.960 -0.001 0.000 0.275 297 G C -1.132 173.845 174.900 0.128 0.000 1.196 297 G CA -0.481 44.686 45.100 0.111 0.000 0.908 297 G HN 0.131 nan 8.290 nan 0.000 0.524 298 P HA -0.014 nan 4.420 nan 0.000 0.226 298 P C 0.828 178.220 177.300 0.154 0.000 1.153 298 P CA 0.828 64.024 63.100 0.159 0.000 0.777 298 P CB 0.418 32.209 31.700 0.151 0.000 0.794 299 E N -0.234 120.079 120.200 0.189 0.000 2.268 299 E HA -0.047 4.303 4.350 -0.001 0.000 0.195 299 E C 0.546 177.217 176.600 0.119 0.000 0.995 299 E CA 0.693 57.209 56.400 0.194 0.000 0.836 299 E CB -0.421 29.483 29.700 0.341 0.000 0.763 299 E HN 0.328 nan 8.360 nan 0.000 0.491 300 N N 0.611 119.335 118.700 0.039 0.000 2.469 300 N HA 0.170 4.909 4.740 -0.001 0.000 0.253 300 N C -1.294 174.335 175.510 0.198 0.000 0.970 300 N CA -0.051 53.044 53.050 0.075 0.000 0.940 300 N CB 1.813 40.237 38.487 -0.105 0.000 1.128 300 N HN -0.115 nan 8.380 nan 0.000 0.503 301 S N 1.518 117.346 115.700 0.213 0.000 2.519 301 S HA 0.217 4.687 4.470 -0.001 0.000 0.309 301 S C 0.954 175.477 174.600 -0.128 0.000 1.100 301 S CA -0.645 57.616 58.200 0.103 0.000 1.059 301 S CB 1.610 64.856 63.200 0.076 0.000 1.008 301 S HN 0.281 nan 8.310 nan 0.000 0.478 302 V N 5.976 125.731 119.914 -0.265 0.000 2.626 302 V HA 0.204 4.323 4.120 -0.001 0.000 0.252 302 V C 0.370 176.276 176.094 -0.313 0.000 1.067 302 V CA 1.526 63.462 62.300 -0.607 0.000 1.081 302 V CB -0.319 31.307 31.823 -0.329 0.000 0.686 302 V HN 0.720 nan 8.190 nan 0.000 0.468 303 L N 0.475 121.630 121.223 -0.115 0.000 2.334 303 L HA 0.620 4.960 4.340 -0.001 0.000 0.275 303 L C 0.372 177.244 176.870 0.003 0.000 1.036 303 L CA -0.348 54.484 54.840 -0.013 0.000 0.807 303 L CB 1.350 43.465 42.059 0.092 0.000 1.231 303 L HN 0.092 nan 8.230 nan 0.000 0.438 304 A N 2.338 125.166 122.820 0.013 0.000 2.545 304 A HA 0.132 4.451 4.320 -0.001 0.000 0.297 304 A C 0.934 178.548 177.584 0.049 0.000 1.340 304 A CA -0.119 51.928 52.037 0.016 0.000 1.016 304 A CB -0.082 18.912 19.000 -0.011 0.000 1.122 304 A HN 0.917 nan 8.150 nan 0.000 0.537 305 Q N 1.331 121.158 119.800 0.045 0.000 2.364 305 Q HA -0.162 4.178 4.340 -0.001 0.000 0.207 305 Q C 1.223 177.241 176.000 0.029 0.000 0.970 305 Q CA 1.250 57.084 55.803 0.052 0.000 0.888 305 Q CB 0.049 28.821 28.738 0.057 0.000 0.951 305 Q HN 1.001 nan 8.270 nan 0.000 0.469 306 D N 0.872 121.269 120.400 -0.004 0.000 2.263 306 D HA -0.202 4.437 4.640 -0.001 0.000 0.208 306 D C 1.115 177.319 176.300 -0.160 0.000 0.971 306 D CA 0.938 54.904 54.000 -0.056 0.000 0.867 306 D CB -0.072 40.684 40.800 -0.074 0.000 0.929 306 D HN 0.203 nan 8.370 nan 0.000 0.492 307 K N 0.027 120.357 120.400 -0.117 0.000 2.366 307 K HA 0.088 4.408 4.320 -0.001 0.000 0.198 307 K C 2.257 179.039 176.600 0.304 0.000 1.044 307 K CA 0.109 56.345 56.287 -0.084 0.000 0.973 307 K CB 0.146 32.722 32.500 0.126 0.000 0.767 307 K HN 0.208 nan 8.250 nan 0.000 0.475 308 L N 0.974 122.277 121.223 0.132 0.000 2.313 308 L HA -0.011 4.329 4.340 -0.001 0.000 0.214 308 L C 0.954 177.839 176.870 0.026 0.000 1.119 308 L CA 0.359 55.176 54.840 -0.039 0.000 0.809 308 L CB -0.172 41.797 42.059 -0.150 0.000 0.933 308 L HN 0.083 nan 8.230 nan 0.000 0.449 309 L N 0.045 121.315 121.223 0.078 0.000 2.456 309 L HA 0.139 4.479 4.340 -0.001 0.000 0.257 309 L C 0.051 177.053 176.870 0.219 0.000 1.162 309 L CA -0.922 53.969 54.840 0.084 0.000 0.808 309 L CB 0.574 42.669 42.059 0.061 0.000 1.136 309 L HN -0.081 nan 8.230 nan 0.000 0.466 310 L N 2.761 124.067 121.223 0.138 0.000 2.562 310 L HA -0.002 4.337 4.340 -0.001 0.000 0.271 310 L C 0.812 177.808 176.870 0.211 0.000 1.167 310 L CA 0.956 55.876 54.840 0.134 0.000 0.917 310 L CB -0.457 41.674 42.059 0.120 0.000 1.187 310 L HN 0.729 nan 8.230 nan 0.000 0.482 311 H N 2.163 121.296 119.070 0.105 0.000 3.854 311 H HA 0.172 4.727 4.556 -0.001 0.000 0.264 311 H C -0.160 175.300 175.328 0.219 0.000 1.170 311 H CA -0.451 55.685 56.048 0.148 0.000 1.167 311 H CB -0.324 29.525 29.762 0.144 0.000 1.558 311 H HN 0.667 nan 8.280 nan 0.000 0.751 312 H N 1.902 120.728 119.070 -0.407 0.000 2.690 312 H HA 0.031 4.586 4.556 -0.001 0.000 0.365 312 H C -0.244 175.036 175.328 -0.079 0.000 1.142 312 H CA -0.246 55.649 56.048 -0.256 0.000 1.417 312 H CB 1.299 30.945 29.762 -0.193 0.000 1.446 312 H HN 0.171 nan 8.280 nan 0.000 0.599 313 D N 2.645 123.078 120.400 0.055 0.000 2.389 313 D HA -0.067 4.573 4.640 -0.001 0.000 0.263 313 D C 0.391 176.777 176.300 0.142 0.000 1.255 313 D CA 0.029 54.065 54.000 0.061 0.000 0.914 313 D CB 0.579 41.386 40.800 0.011 0.000 1.116 313 D HN 0.347 nan 8.370 nan 0.000 0.502 314 M N 2.924 122.561 119.600 0.062 0.000 2.493 314 M HA 0.020 4.499 4.480 -0.001 0.000 0.244 314 M C 1.339 177.630 176.300 -0.015 0.000 1.182 314 M CA 0.230 55.493 55.300 -0.061 0.000 0.981 314 M CB -0.779 31.657 32.600 -0.272 0.000 1.551 314 M HN 0.458 nan 8.290 nan 0.000 0.476 315 T N -3.193 111.409 114.554 0.081 0.000 3.054 315 T HA 0.215 4.565 4.350 -0.001 0.000 0.255 315 T C 0.691 175.442 174.700 0.084 0.000 1.035 315 T CA -0.210 61.925 62.100 0.058 0.000 0.941 315 T CB 0.571 69.469 68.868 0.050 0.000 1.026 315 T HN 0.107 nan 8.240 nan 0.000 0.533 316 Q N 2.048 121.953 119.800 0.175 0.000 2.256 316 Q HA 0.430 4.770 4.340 -0.001 0.000 0.232 316 Q C -2.637 173.439 176.000 0.128 0.000 0.965 316 Q CA -2.714 53.169 55.803 0.134 0.000 0.908 316 Q CB 0.435 29.218 28.738 0.075 0.000 1.209 316 Q HN 0.179 nan 8.270 nan 0.000 0.489 317 P HA -0.080 nan 4.420 nan 0.000 0.266 317 P C 0.772 178.079 177.300 0.012 0.000 1.193 317 P CA -0.037 62.946 63.100 -0.196 0.000 0.770 317 P CB 0.461 31.881 31.700 -0.467 0.000 0.836 318 L N 3.840 125.049 121.223 -0.022 0.000 2.081 318 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 318 L C 1.611 178.656 176.870 0.290 0.000 1.080 318 L CA 2.200 57.111 54.840 0.117 0.000 0.754 318 L CB -1.192 40.870 42.059 0.005 0.000 0.893 318 L HN 0.481 nan 8.230 nan 0.000 0.433 319 N N -3.117 115.677 118.700 0.158 0.000 2.521 319 N HA -0.138 4.602 4.740 -0.001 0.000 0.188 319 N C 1.198 176.872 175.510 0.273 0.000 1.146 319 N CA 0.649 53.822 53.050 0.205 0.000 0.893 319 N CB -0.480 38.092 38.487 0.143 0.000 0.975 319 N HN 0.527 nan 8.380 nan 0.000 0.451 320 H N -1.424 117.672 119.070 0.045 0.000 2.524 320 H HA 0.122 4.678 4.556 -0.001 0.000 0.280 320 H C -0.633 174.372 175.328 -0.538 0.000 1.018 320 H CA -0.349 55.559 56.048 -0.233 0.000 1.165 320 H CB 0.202 29.789 29.762 -0.290 0.000 1.411 320 H HN 0.259 nan 8.280 nan 0.000 0.569 321 Y N -0.333 119.985 120.300 0.030 0.000 2.485 321 Y HA 0.232 4.781 4.550 -0.001 0.000 0.345 321 Y C -0.364 175.502 175.900 -0.057 0.000 0.998 321 Y CA -1.309 56.784 58.100 -0.012 0.000 1.059 321 Y CB 0.981 39.597 38.460 0.261 0.000 1.234 321 Y HN -0.064 nan 8.280 nan 0.000 0.461 322 F N 3.285 123.395 119.950 0.267 0.000 2.456 322 F HA 0.388 4.914 4.527 -0.001 0.000 0.358 322 F C 0.056 176.055 175.800 0.331 0.000 1.095 322 F CA -0.118 58.030 58.000 0.247 0.000 1.216 322 F CB 0.370 39.334 39.000 -0.060 0.000 1.125 322 F HN 0.130 nan 8.300 nan 0.000 0.549 323 I N 3.174 124.000 120.570 0.426 0.000 2.418 323 I HA 0.158 4.327 4.170 -0.001 0.000 0.287 323 I C -0.261 175.767 176.117 -0.149 0.000 1.008 323 I CA -0.999 60.268 61.300 -0.054 0.000 1.104 323 I CB 1.396 39.306 38.000 -0.151 0.000 1.264 323 I HN 0.499 nan 8.210 nan 0.000 0.438 324 N N 4.196 122.445 118.700 -0.752 0.000 2.440 324 N HA 0.088 4.828 4.740 -0.001 0.000 0.265 324 N C -1.056 174.289 175.510 -0.274 0.000 1.239 324 N CA 0.655 53.141 53.050 -0.941 0.000 0.909 324 N CB 0.532 38.330 38.487 -1.147 0.000 1.066 324 N HN 0.538 nan 8.380 nan 0.000 0.474 325 S N 1.034 116.729 115.700 -0.008 0.000 2.547 325 S HA 0.377 4.847 4.470 -0.001 0.000 0.281 325 S C -0.775 173.914 174.600 0.148 0.000 1.118 325 S CA -0.838 57.395 58.200 0.056 0.000 0.947 325 S CB 1.511 64.793 63.200 0.136 0.000 1.053 325 S HN 0.535 nan 8.310 nan 0.000 0.482 326 S N 2.019 117.686 115.700 -0.056 0.000 2.475 326 S HA 0.436 4.905 4.470 -0.001 0.000 0.298 326 S C -0.826 173.799 174.600 0.043 0.000 1.119 326 S CA -0.633 57.508 58.200 -0.097 0.000 1.085 326 S CB 0.634 63.486 63.200 -0.580 0.000 1.028 326 S HN 0.808 nan 8.310 nan 0.000 0.489 327 H N 3.886 122.966 119.070 0.018 0.000 2.467 327 H HA 0.259 4.815 4.556 -0.001 0.000 0.331 327 H C -0.180 175.078 175.328 -0.116 0.000 1.120 327 H CA -0.123 55.925 56.048 -0.001 0.000 1.270 327 H CB 0.381 30.187 29.762 0.074 0.000 1.466 327 H HN 0.837 nan 8.280 nan 0.000 0.504 328 N N 3.434 121.619 118.700 -0.858 0.000 2.678 328 N HA -0.162 4.577 4.740 -0.001 0.000 0.268 328 N C 0.788 175.792 175.510 -0.844 0.000 1.010 328 N CA 1.232 53.739 53.050 -0.906 0.000 0.784 328 N CB -0.849 36.933 38.487 -1.175 0.000 0.905 328 N HN 0.690 nan 8.380 nan 0.000 0.552 329 T N -1.334 112.911 114.554 -0.516 0.000 2.759 329 T HA -0.221 4.129 4.350 -0.001 0.000 0.269 329 T C 1.576 175.863 174.700 -0.689 0.000 1.042 329 T CA 1.690 63.451 62.100 -0.565 0.000 1.140 329 T CB -0.296 68.218 68.868 -0.590 0.000 0.864 329 T HN 0.698 nan 8.240 nan 0.000 0.455 330 Y N 1.058 121.067 120.300 -0.486 0.000 2.483 330 Y HA 0.258 4.807 4.550 -0.001 0.000 0.291 330 Y C 0.680 176.473 175.900 -0.179 0.000 1.143 330 Y CA -0.282 57.633 58.100 -0.308 0.000 1.289 330 Y CB -1.115 37.332 38.460 -0.022 0.000 0.983 330 Y HN 0.111 nan 8.280 nan 0.000 0.556 331 L N 2.068 122.944 121.223 -0.578 0.000 2.305 331 L HA 0.173 4.513 4.340 -0.001 0.000 0.281 331 L C 1.389 178.150 176.870 -0.182 0.000 1.085 331 L CA 0.165 54.815 54.840 -0.317 0.000 0.813 331 L CB 1.382 43.203 42.059 -0.397 0.000 1.157 331 L HN 0.312 nan 8.230 nan 0.000 0.436 332 T N -1.157 113.347 114.554 -0.084 0.000 3.057 332 T HA 0.344 4.693 4.350 -0.001 0.000 0.254 332 T C 0.648 175.330 174.700 -0.031 0.000 1.094 332 T CA 0.477 62.547 62.100 -0.049 0.000 1.088 332 T CB 0.554 69.413 68.868 -0.016 0.000 0.934 332 T HN 0.669 nan 8.240 nan 0.000 0.497 333 A N 1.021 123.825 122.820 -0.027 0.000 3.069 333 A HA 0.842 5.161 4.320 -0.001 0.000 0.173 333 A C 0.847 178.438 177.584 0.010 0.000 0.939 333 A CA -0.149 51.886 52.037 -0.004 0.000 1.472 333 A CB -0.226 18.779 19.000 0.009 0.000 2.157 333 A HN 0.514 nan 8.150 nan 0.000 0.821 334 G N -0.879 107.944 108.800 0.038 0.000 2.634 334 G HA2 0.418 4.378 3.960 -0.001 0.000 0.255 334 G HA3 0.418 4.378 3.960 -0.001 0.000 0.255 334 G C 0.107 175.070 174.900 0.105 0.000 1.205 334 G CA -0.046 45.100 45.100 0.077 0.000 0.884 334 G HN 0.394 nan 8.290 nan 0.000 0.549 335 Q N -0.350 119.555 119.800 0.175 0.000 2.269 335 Q HA 0.016 4.355 4.340 -0.001 0.000 0.201 335 Q C 1.746 177.969 176.000 0.373 0.000 0.946 335 Q CA 0.655 56.630 55.803 0.287 0.000 0.877 335 Q CB 0.081 29.022 28.738 0.338 0.000 0.963 335 Q HN 0.635 nan 8.270 nan 0.000 0.472 336 F N 0.788 120.807 119.950 0.114 0.000 2.622 336 F HA 0.089 4.616 4.527 -0.001 0.000 0.288 336 F C 0.646 176.461 175.800 0.025 0.000 1.120 336 F CA 0.153 58.179 58.000 0.044 0.000 1.423 336 F CB 0.641 39.654 39.000 0.022 0.000 1.127 336 F HN -0.105 nan 8.300 nan 0.000 0.588 337 S N -0.736 114.983 115.700 0.033 0.000 2.607 337 S HA 0.828 5.297 4.470 -0.001 0.000 0.273 337 S C -0.278 174.323 174.600 0.003 0.000 1.148 337 S CA -0.291 57.877 58.200 -0.053 0.000 0.833 337 S CB 1.462 64.679 63.200 0.028 0.000 1.130 337 S HN 0.920 nan 8.310 nan 0.000 0.470 338 G N -0.278 108.511 108.800 -0.018 0.000 2.462 338 G HA2 0.285 4.245 3.960 -0.001 0.000 0.685 338 G HA3 0.285 4.245 3.960 -0.001 0.000 0.685 338 G C -1.434 173.463 174.900 -0.006 0.000 1.295 338 G CA -0.548 44.552 45.100 -0.001 0.000 0.941 338 G HN 1.505 nan 8.290 nan 0.000 0.554 339 L N 0.829 122.052 121.223 0.001 0.000 2.367 339 L HA 0.681 5.021 4.340 -0.001 0.000 0.275 339 L C 0.758 177.641 176.870 0.022 0.000 1.129 339 L CA 0.091 54.934 54.840 0.004 0.000 0.839 339 L CB 1.107 43.170 42.059 0.007 0.000 1.133 339 L HN 0.691 nan 8.230 nan 0.000 0.453 340 S N 2.964 118.691 115.700 0.044 0.000 2.554 340 S HA 0.657 5.126 4.470 -0.001 0.000 0.278 340 S C -0.437 174.203 174.600 0.068 0.000 1.242 340 S CA -0.563 57.699 58.200 0.104 0.000 1.051 340 S CB 1.282 64.590 63.200 0.180 0.000 0.986 340 S HN 0.729 nan 8.310 nan 0.000 0.502 341 S N 0.822 116.569 115.700 0.078 0.000 2.546 341 S HA 0.559 5.029 4.470 -0.001 0.000 0.272 341 S C 0.549 175.216 174.600 0.112 0.000 1.140 341 S CA -0.303 57.938 58.200 0.070 0.000 0.920 341 S CB 1.146 64.374 63.200 0.047 0.000 1.083 341 S HN 0.779 nan 8.310 nan 0.000 0.476 342 A N 2.848 125.755 122.820 0.146 0.000 2.067 342 A HA 0.007 4.326 4.320 -0.001 0.000 0.219 342 A C 1.696 179.404 177.584 0.207 0.000 1.158 342 A CA 1.902 54.087 52.037 0.247 0.000 0.661 342 A CB -0.698 18.381 19.000 0.132 0.000 0.801 342 A HN 0.877 nan 8.150 nan 0.000 0.452 343 E N -0.264 120.007 120.200 0.118 0.000 2.204 343 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 343 E C 1.827 178.460 176.600 0.055 0.000 0.990 343 E CA 1.305 57.769 56.400 0.106 0.000 0.821 343 E CB -0.311 29.469 29.700 0.134 0.000 0.750 343 E HN 0.462 nan 8.360 nan 0.000 0.477 344 M N -0.426 119.162 119.600 -0.019 0.000 2.149 344 M HA -0.175 4.305 4.480 -0.001 0.000 0.261 344 M C 1.822 177.997 176.300 -0.209 0.000 1.064 344 M CA 1.469 56.679 55.300 -0.150 0.000 1.102 344 M CB -1.210 31.220 32.600 -0.282 0.000 1.369 344 M HN 0.238 nan 8.290 nan 0.000 0.408 345 Y N 0.298 120.565 120.300 -0.056 0.000 2.181 345 Y HA -0.173 4.377 4.550 -0.001 0.000 0.288 345 Y C 2.624 178.470 175.900 -0.090 0.000 1.146 345 Y CA 1.445 59.492 58.100 -0.088 0.000 1.164 345 Y CB -0.668 37.747 38.460 -0.075 0.000 0.982 345 Y HN 0.240 nan 8.280 nan 0.000 0.515 346 R N -0.166 120.390 120.500 0.093 0.000 2.080 346 R HA -0.201 4.139 4.340 -0.001 0.000 0.236 346 R C 2.187 178.488 176.300 0.002 0.000 1.137 346 R CA 1.557 57.674 56.100 0.029 0.000 0.943 346 R CB -0.463 29.862 30.300 0.042 0.000 0.846 346 R HN 0.360 nan 8.270 nan 0.000 0.431 347 Q N 0.336 120.138 119.800 0.004 0.000 2.061 347 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 347 Q C 2.443 178.439 176.000 -0.007 0.000 0.984 347 Q CA 1.936 57.742 55.803 0.006 0.000 0.846 347 Q CB -0.601 28.146 28.738 0.015 0.000 0.902 347 Q HN 0.419 nan 8.270 nan 0.000 0.421 348 V N -1.742 118.120 119.914 -0.087 0.000 2.358 348 V HA -0.174 3.945 4.120 -0.001 0.000 0.246 348 V C 2.288 178.297 176.094 -0.140 0.000 1.047 348 V CA 1.307 63.492 62.300 -0.192 0.000 1.035 348 V CB -0.932 30.526 31.823 -0.608 0.000 0.658 348 V HN 0.182 nan 8.190 nan 0.000 0.452 349 L N -0.446 120.708 121.223 -0.115 0.000 2.131 349 L HA -0.066 4.274 4.340 -0.001 0.000 0.210 349 L C 2.637 179.477 176.870 -0.050 0.000 1.092 349 L CA 1.535 56.316 54.840 -0.098 0.000 0.759 349 L CB -0.493 41.500 42.059 -0.111 0.000 0.903 349 L HN 0.305 nan 8.230 nan 0.000 0.435 350 L N -1.317 119.892 121.223 -0.023 0.000 2.275 350 L HA -0.110 4.230 4.340 -0.001 0.000 0.215 350 L C 2.032 178.923 176.870 0.035 0.000 1.119 350 L CA 0.604 55.448 54.840 0.007 0.000 0.790 350 L CB -0.194 41.874 42.059 0.014 0.000 0.919 350 L HN 0.097 nan 8.230 nan 0.000 0.443 351 S N -0.595 115.137 115.700 0.053 0.000 2.597 351 S HA 0.236 4.705 4.470 -0.001 0.000 0.224 351 S C 1.330 175.988 174.600 0.095 0.000 0.955 351 S CA 0.584 58.842 58.200 0.096 0.000 0.933 351 S CB 0.471 63.769 63.200 0.164 0.000 0.788 351 S HN 0.607 nan 8.310 nan 0.000 0.488 352 G N 0.892 109.722 108.800 0.050 0.000 2.141 352 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.242 352 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.242 352 G C 0.397 175.277 174.900 -0.033 0.000 0.982 352 G CA -0.014 45.110 45.100 0.040 0.000 0.662 352 G HN 0.611 nan 8.290 nan 0.000 0.527 353 C N 0.908 120.170 119.300 -0.063 0.000 2.611 353 C HA 0.557 5.016 4.460 -0.001 0.000 0.416 353 C C 1.713 176.603 174.990 -0.166 0.000 1.366 353 C CA 0.276 59.185 59.018 -0.181 0.000 1.761 353 C CB 0.068 27.564 27.740 -0.406 0.000 2.619 353 C HN 0.475 nan 8.230 nan 0.000 0.606 354 R N 2.917 123.307 120.500 -0.184 0.000 2.509 354 R HA 0.226 4.565 4.340 -0.001 0.000 0.297 354 R C -0.242 176.012 176.300 -0.077 0.000 0.951 354 R CA 0.117 56.150 56.100 -0.111 0.000 1.103 354 R CB 0.014 30.225 30.300 -0.148 0.000 1.283 354 R HN 0.719 nan 8.270 nan 0.000 0.534 355 C N 1.708 120.951 119.300 -0.094 0.000 2.505 355 C HA 0.652 5.112 4.460 -0.001 0.000 0.342 355 C C -0.161 174.803 174.990 -0.042 0.000 1.121 355 C CA -0.577 58.425 59.018 -0.025 0.000 1.306 355 C CB 0.400 28.150 27.740 0.017 0.000 1.897 355 C HN 0.200 nan 8.230 nan 0.000 0.446 356 V N 2.815 122.735 119.914 0.011 0.000 3.113 356 V HA 0.765 4.885 4.120 -0.001 0.000 0.316 356 V C -0.749 175.414 176.094 0.115 0.000 1.125 356 V CA -0.575 61.746 62.300 0.034 0.000 1.026 356 V CB 1.880 33.777 31.823 0.124 0.000 1.080 356 V HN 0.924 nan 8.190 nan 0.000 0.444 357 E N 1.056 121.333 120.200 0.128 0.000 2.222 357 E HA 0.682 5.032 4.350 -0.001 0.000 0.267 357 E C -2.021 174.732 176.600 0.256 0.000 0.884 357 E CA -0.846 55.638 56.400 0.140 0.000 0.764 357 E CB 1.931 31.655 29.700 0.040 0.000 1.169 357 E HN 0.706 nan 8.360 nan 0.000 0.413 358 L N 4.028 125.324 121.223 0.123 0.000 2.343 358 L HA 0.350 4.690 4.340 -0.001 0.000 0.278 358 L C -1.136 175.723 176.870 -0.019 0.000 0.996 358 L CA -0.634 54.215 54.840 0.016 0.000 0.831 358 L CB 1.697 43.536 42.059 -0.366 0.000 1.232 358 L HN 0.459 nan 8.230 nan 0.000 0.413 359 D N 2.243 122.650 120.400 0.011 0.000 2.380 359 D HA 0.324 4.964 4.640 -0.001 0.000 0.230 359 D C -0.706 175.603 176.300 0.015 0.000 1.154 359 D CA -0.068 53.974 54.000 0.069 0.000 0.859 359 D CB 0.903 41.864 40.800 0.268 0.000 1.045 359 D HN 0.387 nan 8.370 nan 0.000 0.495 360 C N 3.434 122.683 119.300 -0.085 0.000 2.319 360 C HA 0.595 5.054 4.460 -0.001 0.000 0.335 360 C C -0.257 174.586 174.990 -0.245 0.000 1.274 360 C CA -0.964 58.016 59.018 -0.064 0.000 1.806 360 C CB -0.644 27.046 27.740 -0.084 0.000 2.329 360 C HN 0.570 nan 8.230 nan 0.000 0.524 361 W N 1.121 122.432 121.300 0.020 0.000 2.962 361 W HA 0.516 5.176 4.660 -0.001 0.000 0.341 361 W C -0.068 176.451 176.519 -0.000 0.000 1.155 361 W CA -0.854 56.497 57.345 0.009 0.000 1.165 361 W CB 0.853 30.266 29.460 -0.079 0.000 1.435 361 W HN 0.449 nan 8.180 nan 0.000 0.546 362 K N 0.984 121.532 120.400 0.246 0.000 2.380 362 K HA 0.331 4.650 4.320 -0.001 0.000 0.267 362 K C 0.711 177.393 176.600 0.136 0.000 0.990 362 K CA -0.105 56.273 56.287 0.151 0.000 0.946 362 K CB 0.250 32.826 32.500 0.126 0.000 0.937 362 K HN 0.706 nan 8.250 nan 0.000 0.491 363 G N 1.823 110.691 108.800 0.114 0.000 2.484 363 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.235 363 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.235 363 G C -0.592 174.341 174.900 0.056 0.000 1.282 363 G CA -0.348 44.811 45.100 0.099 0.000 0.857 363 G HN 0.458 nan 8.290 nan 0.000 0.571 364 K N 3.524 123.937 120.400 0.021 0.000 2.284 364 K HA 0.203 4.523 4.320 -0.001 0.000 0.287 364 K C -2.081 174.524 176.600 0.009 0.000 1.081 364 K CA -1.375 54.907 56.287 -0.008 0.000 0.910 364 K CB 1.200 33.669 32.500 -0.052 0.000 1.088 364 K HN 0.323 nan 8.250 nan 0.000 0.478 365 P HA -0.063 nan 4.420 nan 0.000 0.264 365 P C -1.821 175.485 177.300 0.011 0.000 1.183 365 P CA -0.754 62.356 63.100 0.018 0.000 0.763 365 P CB 0.098 31.808 31.700 0.017 0.000 0.807 366 P HA 0.005 nan 4.420 nan 0.000 0.242 366 P C -0.258 177.062 177.300 0.034 0.000 1.197 366 P CA 0.564 63.677 63.100 0.021 0.000 0.765 366 P CB 0.251 31.961 31.700 0.018 0.000 0.936 367 D N 1.666 122.092 120.400 0.045 0.000 2.414 367 D HA 0.056 4.696 4.640 -0.001 0.000 0.242 367 D C 0.933 177.277 176.300 0.073 0.000 1.129 367 D CA 0.523 54.568 54.000 0.075 0.000 0.885 367 D CB 0.750 41.610 40.800 0.100 0.000 1.198 367 D HN 0.114 nan 8.370 nan 0.000 0.437 368 E N 1.007 121.255 120.200 0.080 0.000 3.105 368 E HA 0.080 4.430 4.350 -0.001 0.000 0.198 368 E C -0.450 176.200 176.600 0.083 0.000 0.976 368 E CA -0.362 56.078 56.400 0.067 0.000 1.219 368 E CB 0.669 30.392 29.700 0.039 0.000 1.081 368 E HN 0.385 nan 8.360 nan 0.000 0.464 369 E N 2.285 122.568 120.200 0.138 0.000 2.187 369 E HA 0.319 4.669 4.350 -0.001 0.000 0.268 369 E C -2.632 174.108 176.600 0.234 0.000 0.896 369 E CA -2.699 53.806 56.400 0.176 0.000 0.766 369 E CB 1.659 31.463 29.700 0.173 0.000 1.142 369 E HN -0.205 nan 8.360 nan 0.000 0.408 370 P HA 0.109 nan 4.420 nan 0.000 0.268 370 P C -0.399 177.068 177.300 0.279 0.000 1.205 370 P CA 0.148 63.350 63.100 0.169 0.000 0.771 370 P CB 0.370 32.080 31.700 0.017 0.000 0.858 371 I N -0.353 120.345 120.570 0.213 0.000 3.067 371 I HA 0.626 4.796 4.170 -0.001 0.000 0.312 371 I C -0.534 175.670 176.117 0.145 0.000 1.073 371 I CA -1.728 59.665 61.300 0.155 0.000 1.016 371 I CB 2.157 40.169 38.000 0.021 0.000 1.227 371 I HN 0.087 nan 8.210 nan 0.000 0.456 372 I N 1.831 122.415 120.570 0.023 0.000 2.433 372 I HA 0.614 4.783 4.170 -0.001 0.000 0.292 372 I C -0.228 175.726 176.117 -0.271 0.000 1.001 372 I CA -0.176 61.057 61.300 -0.112 0.000 1.119 372 I CB 2.049 39.933 38.000 -0.193 0.000 1.289 372 I HN 0.780 nan 8.210 nan 0.000 0.438 373 T N 3.078 117.435 114.554 -0.328 0.000 2.733 373 T HA 0.189 4.539 4.350 -0.001 0.000 0.312 373 T C -1.619 173.043 174.700 -0.063 0.000 1.590 373 T CA -0.590 61.341 62.100 -0.282 0.000 1.005 373 T CB 1.154 69.872 68.868 -0.251 0.000 1.528 373 T HN 0.649 nan 8.240 nan 0.000 0.496 374 H N 0.635 119.741 119.070 0.059 0.000 2.846 374 H HA 0.488 5.044 4.556 -0.001 0.000 0.278 374 H C 0.952 176.148 175.328 -0.220 0.000 1.117 374 H CA -0.367 55.762 56.048 0.135 0.000 1.406 374 H CB 0.031 29.919 29.762 0.211 0.000 1.445 374 H HN 0.792 nan 8.280 nan 0.000 0.469 375 G N 3.074 111.701 108.800 -0.288 0.000 2.414 375 G HA2 0.001 3.960 3.960 -0.001 0.000 0.236 375 G HA3 0.001 3.960 3.960 -0.001 0.000 0.236 375 G C -0.195 174.384 174.900 -0.535 0.000 1.293 375 G CA -0.227 44.179 45.100 -1.156 0.000 0.869 375 G HN 0.870 nan 8.290 nan 0.000 0.556 376 F N -0.680 118.957 119.950 -0.523 0.000 3.057 376 F HA -0.238 4.288 4.527 -0.001 0.000 0.287 376 F C 1.434 177.086 175.800 -0.246 0.000 0.834 376 F CA 1.202 59.032 58.000 -0.284 0.000 1.147 376 F CB -2.337 36.575 39.000 -0.146 0.000 1.245 376 F HN 0.932 nan 8.300 nan 0.000 0.509 377 T N -4.212 110.153 114.554 -0.316 0.000 2.693 377 T HA 0.748 5.098 4.350 -0.001 0.000 0.278 377 T C 0.598 174.914 174.700 -0.641 0.000 0.994 377 T CA -0.716 61.030 62.100 -0.590 0.000 1.033 377 T CB 1.671 70.192 68.868 -0.579 0.000 1.342 377 T HN 0.075 nan 8.240 nan 0.000 0.538 378 M N 1.442 120.509 119.600 -0.889 0.000 2.383 378 M HA 0.197 4.677 4.480 -0.001 0.000 0.247 378 M C 0.685 176.791 176.300 -0.323 0.000 1.117 378 M CA -0.381 54.606 55.300 -0.522 0.000 0.995 378 M CB 0.193 32.499 32.600 -0.491 0.000 1.480 378 M HN 0.869 nan 8.290 nan 0.000 0.485 379 T N -0.071 114.316 114.554 -0.278 0.000 2.932 379 T HA 0.141 4.490 4.350 -0.001 0.000 0.312 379 T C 0.756 175.387 174.700 -0.116 0.000 1.071 379 T CA -0.441 61.587 62.100 -0.119 0.000 1.128 379 T CB 0.615 69.490 68.868 0.012 0.000 0.984 379 T HN 0.395 nan 8.240 nan 0.000 0.549 380 T N 0.442 114.952 114.554 -0.073 0.000 2.766 380 T HA 0.314 4.664 4.350 -0.001 0.000 0.295 380 T C -0.530 174.113 174.700 -0.095 0.000 1.024 380 T CA -0.794 61.253 62.100 -0.089 0.000 1.018 380 T CB 0.345 69.173 68.868 -0.067 0.000 1.002 380 T HN 0.685 nan 8.240 nan 0.000 0.532 381 D N 0.592 120.907 120.400 -0.142 0.000 2.198 381 D HA 0.593 5.233 4.640 -0.001 0.000 0.247 381 D C 0.165 176.342 176.300 -0.205 0.000 1.010 381 D CA -0.496 53.395 54.000 -0.183 0.000 0.880 381 D CB 1.556 42.215 40.800 -0.235 0.000 1.209 381 D HN 0.826 nan 8.370 nan 0.000 0.451 382 I N -2.854 117.603 120.570 -0.188 0.000 2.957 382 I HA 0.563 4.732 4.170 -0.001 0.000 0.310 382 I C -0.714 175.275 176.117 -0.214 0.000 1.063 382 I CA -1.106 60.077 61.300 -0.195 0.000 1.033 382 I CB 1.426 39.399 38.000 -0.045 0.000 1.230 382 I HN 0.043 nan 8.210 nan 0.000 0.447 383 F N 2.231 122.168 119.950 -0.023 0.000 2.443 383 F HA 0.201 4.728 4.527 -0.001 0.000 0.353 383 F C 1.115 176.893 175.800 -0.036 0.000 1.101 383 F CA -0.138 57.854 58.000 -0.014 0.000 1.226 383 F CB 0.727 39.701 39.000 -0.042 0.000 1.140 383 F HN 0.553 nan 8.300 nan 0.000 0.557 384 F N 3.018 123.019 119.950 0.084 0.000 2.087 384 F HA -0.281 4.246 4.527 -0.001 0.000 0.299 384 F C 2.425 178.118 175.800 -0.178 0.000 1.100 384 F CA 2.082 60.050 58.000 -0.053 0.000 1.226 384 F CB -0.192 38.814 39.000 0.009 0.000 0.983 384 F HN 0.496 nan 8.300 nan 0.000 0.479 385 K N 0.363 120.648 120.400 -0.191 0.000 2.074 385 K HA -0.295 4.024 4.320 -0.001 0.000 0.209 385 K C 2.245 178.602 176.600 -0.404 0.000 1.048 385 K CA 2.015 57.936 56.287 -0.609 0.000 0.926 385 K CB -0.449 31.521 32.500 -0.883 0.000 0.713 385 K HN 0.497 nan 8.250 nan 0.000 0.444 386 E N -0.372 119.710 120.200 -0.197 0.000 2.110 386 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 386 E C 1.794 178.277 176.600 -0.195 0.000 0.988 386 E CA 0.952 57.278 56.400 -0.123 0.000 0.804 386 E CB -0.082 29.624 29.700 0.009 0.000 0.745 386 E HN 0.456 nan 8.360 nan 0.000 0.458 387 A N 1.297 123.929 122.820 -0.314 0.000 1.902 387 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 387 A C 2.056 179.305 177.584 -0.557 0.000 1.181 387 A CA 1.161 52.888 52.037 -0.516 0.000 0.623 387 A CB -0.443 18.112 19.000 -0.741 0.000 0.818 387 A HN 0.256 nan 8.150 nan 0.000 0.443 388 I N 0.253 120.460 120.570 -0.606 0.000 2.226 388 I HA -0.218 3.952 4.170 -0.001 0.000 0.245 388 I C 2.283 178.206 176.117 -0.325 0.000 1.100 388 I CA 1.547 62.531 61.300 -0.527 0.000 1.374 388 I CB -1.756 35.826 38.000 -0.697 0.000 1.057 388 I HN 0.469 nan 8.210 nan 0.000 0.413 389 E N 0.970 121.013 120.200 -0.260 0.000 2.110 389 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 389 E C 2.351 178.931 176.600 -0.033 0.000 0.988 389 E CA 1.400 57.740 56.400 -0.100 0.000 0.804 389 E CB -0.123 29.539 29.700 -0.064 0.000 0.745 389 E HN 0.503 nan 8.360 nan 0.000 0.458 390 A N 1.111 123.889 122.820 -0.071 0.000 1.873 390 A HA -0.158 4.162 4.320 -0.001 0.000 0.215 390 A C 2.178 179.737 177.584 -0.041 0.000 1.186 390 A CA 1.047 53.064 52.037 -0.034 0.000 0.616 390 A CB -0.550 18.460 19.000 0.017 0.000 0.823 390 A HN 0.125 nan 8.150 nan 0.000 0.442 391 I N -0.107 120.431 120.570 -0.052 0.000 2.226 391 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 391 I C 2.948 179.095 176.117 0.050 0.000 1.100 391 I CA 1.100 62.396 61.300 -0.007 0.000 1.374 391 I CB -0.335 37.678 38.000 0.023 0.000 1.057 391 I HN 0.345 nan 8.210 nan 0.000 0.413 392 A N 0.150 123.101 122.820 0.219 0.000 1.933 392 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 392 A C 2.340 179.953 177.584 0.048 0.000 1.175 392 A CA 1.947 54.139 52.037 0.257 0.000 0.628 392 A CB -0.620 18.559 19.000 0.299 0.000 0.814 392 A HN 0.534 nan 8.150 nan 0.000 0.444 393 E N -0.289 119.855 120.200 -0.093 0.000 2.047 393 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 393 E C 1.656 178.094 176.600 -0.270 0.000 0.987 393 E CA 1.470 57.644 56.400 -0.377 0.000 0.799 393 E CB -0.012 29.264 29.700 -0.708 0.000 0.752 393 E HN 0.543 nan 8.360 nan 0.000 0.449 394 S N -0.105 115.480 115.700 -0.192 0.000 2.511 394 S HA 0.224 4.694 4.470 -0.001 0.000 0.214 394 S C 1.667 176.151 174.600 -0.194 0.000 0.997 394 S CA 0.272 58.379 58.200 -0.156 0.000 0.908 394 S CB 0.709 63.844 63.200 -0.107 0.000 0.803 394 S HN 0.414 nan 8.310 nan 0.000 0.504 395 A N 1.460 124.092 122.820 -0.313 0.000 1.903 395 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 395 A C 1.092 178.203 177.584 -0.789 0.000 1.191 395 A CA 1.662 53.295 52.037 -0.673 0.000 0.638 395 A CB -0.557 17.812 19.000 -1.052 0.000 0.823 395 A HN 0.515 nan 8.150 nan 0.000 0.451 396 F N -1.050 118.882 119.950 -0.030 0.000 2.764 396 F HA 0.305 4.831 4.527 -0.001 0.000 0.310 396 F C 1.463 177.248 175.800 -0.025 0.000 1.124 396 F CA -0.585 57.396 58.000 -0.032 0.000 1.252 396 F CB 0.280 39.251 39.000 -0.048 0.000 1.010 396 F HN 0.071 nan 8.300 nan 0.000 0.518 397 K N 0.015 120.453 120.400 0.063 0.000 2.097 397 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 397 K C 1.830 178.464 176.600 0.056 0.000 1.050 397 K CA 1.970 58.287 56.287 0.050 0.000 0.938 397 K CB -0.119 32.386 32.500 0.009 0.000 0.718 397 K HN 0.367 nan 8.250 nan 0.000 0.442 398 T N -3.938 110.650 114.554 0.056 0.000 2.958 398 T HA 0.108 4.457 4.350 -0.001 0.000 0.256 398 T C 0.480 175.230 174.700 0.083 0.000 0.983 398 T CA -0.438 61.697 62.100 0.059 0.000 0.924 398 T CB 0.713 69.609 68.868 0.047 0.000 1.136 398 T HN -0.032 nan 8.240 nan 0.000 0.506 399 S N 2.038 117.808 115.700 0.117 0.000 2.547 399 S HA 0.579 5.048 4.470 -0.001 0.000 0.281 399 S C -2.528 172.189 174.600 0.195 0.000 1.118 399 S CA -1.469 56.831 58.200 0.168 0.000 0.947 399 S CB 2.316 65.654 63.200 0.230 0.000 1.053 399 S HN 0.004 nan 8.310 nan 0.000 0.482 400 P HA 0.149 nan 4.420 nan 0.000 0.255 400 P C -0.422 176.685 177.300 -0.322 0.000 1.248 400 P CA 0.102 63.072 63.100 -0.216 0.000 0.807 400 P CB -0.100 31.307 31.700 -0.487 0.000 1.150 401 Y N 2.318 122.686 120.300 0.112 0.000 2.301 401 Y HA 0.294 4.844 4.550 -0.001 0.000 0.328 401 Y C -1.507 174.533 175.900 0.234 0.000 1.242 401 Y CA -2.755 55.349 58.100 0.007 0.000 1.323 401 Y CB -0.483 37.863 38.460 -0.189 0.000 1.266 401 Y HN -0.090 nan 8.280 nan 0.000 0.527 402 P HA 0.081 nan 4.420 nan 0.000 0.269 402 P C -0.634 176.878 177.300 0.353 0.000 1.215 402 P CA 0.185 63.470 63.100 0.309 0.000 0.780 402 P CB 0.784 32.568 31.700 0.140 0.000 0.898 403 I N -0.856 119.857 120.570 0.239 0.000 2.648 403 I HA 0.609 4.778 4.170 -0.001 0.000 0.304 403 I C -0.527 175.635 176.117 0.075 0.000 1.009 403 I CA -1.493 59.864 61.300 0.096 0.000 1.114 403 I CB 1.815 39.769 38.000 -0.076 0.000 1.293 403 I HN 0.097 nan 8.210 nan 0.000 0.449 404 I N 5.325 125.935 120.570 0.068 0.000 2.406 404 I HA 0.358 4.528 4.170 -0.001 0.000 0.290 404 I C -0.672 175.503 176.117 0.097 0.000 0.999 404 I CA -0.578 60.775 61.300 0.089 0.000 1.124 404 I CB 1.908 39.974 38.000 0.110 0.000 1.289 404 I HN 0.426 nan 8.210 nan 0.000 0.441 405 L N 5.324 126.632 121.223 0.142 0.000 2.262 405 L HA 0.343 4.683 4.340 -0.001 0.000 0.288 405 L C 0.418 177.495 176.870 0.346 0.000 1.035 405 L CA -0.277 54.714 54.840 0.253 0.000 0.820 405 L CB 1.283 43.584 42.059 0.403 0.000 1.204 405 L HN 0.549 nan 8.230 nan 0.000 0.424 406 S N 3.817 119.678 115.700 0.268 0.000 2.416 406 S HA 0.375 4.844 4.470 -0.001 0.000 0.302 406 S C -0.309 174.485 174.600 0.324 0.000 1.120 406 S CA -0.562 57.788 58.200 0.250 0.000 1.067 406 S CB -0.282 63.003 63.200 0.142 0.000 1.057 406 S HN 0.252 nan 8.310 nan 0.000 0.518 407 F N 3.379 123.365 119.950 0.060 0.000 2.438 407 F HA 0.319 4.845 4.527 -0.001 0.000 0.356 407 F C 0.953 176.743 175.800 -0.015 0.000 1.099 407 F CA -0.922 57.110 58.000 0.054 0.000 1.185 407 F CB 0.836 39.869 39.000 0.055 0.000 1.115 407 F HN 0.537 nan 8.300 nan 0.000 0.526 408 E N 3.471 123.719 120.200 0.080 0.000 2.063 408 E HA 0.129 4.478 4.350 -0.001 0.000 0.265 408 E C -0.982 175.484 176.600 -0.224 0.000 0.919 408 E CA -0.563 55.808 56.400 -0.049 0.000 0.756 408 E CB 0.388 30.107 29.700 0.032 0.000 1.120 408 E HN 0.512 nan 8.360 nan 0.000 0.414 409 N N 2.621 121.117 118.700 -0.340 0.000 2.422 409 N HA 0.110 4.850 4.740 -0.001 0.000 0.266 409 N C -0.467 174.610 175.510 -0.722 0.000 1.007 409 N CA -0.142 52.687 53.050 -0.369 0.000 0.941 409 N CB 0.605 39.003 38.487 -0.148 0.000 1.115 409 N HN 0.499 nan 8.380 nan 0.000 0.492 410 H N 2.061 120.835 119.070 -0.494 0.000 2.785 410 H HA 0.203 4.759 4.556 -0.001 0.000 0.268 410 H C -0.298 174.856 175.328 -0.291 0.000 1.153 410 H CA -0.048 55.659 56.048 -0.569 0.000 1.111 410 H CB 0.741 29.646 29.762 -1.429 0.000 1.633 410 H HN 0.216 nan 8.280 nan 0.000 0.576 411 V N 4.543 124.382 119.914 -0.125 0.000 2.276 411 V HA -0.039 4.081 4.120 -0.001 0.000 0.249 411 V C 0.485 176.596 176.094 0.028 0.000 1.160 411 V CA -0.255 62.032 62.300 -0.022 0.000 1.042 411 V CB -0.069 31.729 31.823 -0.042 0.000 1.224 411 V HN 0.341 nan 8.190 nan 0.000 0.496 412 D N 2.542 122.984 120.400 0.070 0.000 2.994 412 D HA 0.087 4.727 4.640 -0.001 0.000 0.240 412 D C 0.234 176.646 176.300 0.187 0.000 1.195 412 D CA 0.050 54.130 54.000 0.134 0.000 0.957 412 D CB 0.909 41.772 40.800 0.106 0.000 1.105 412 D HN 0.402 nan 8.370 nan 0.000 0.477 413 S N 0.763 116.589 115.700 0.209 0.000 2.776 413 S HA 0.418 4.888 4.470 -0.001 0.000 0.284 413 S C -2.223 172.429 174.600 0.087 0.000 1.160 413 S CA -1.185 57.079 58.200 0.107 0.000 1.051 413 S CB 1.964 65.198 63.200 0.057 0.000 1.037 413 S HN -0.184 nan 8.310 nan 0.000 0.485 414 P HA -0.132 nan 4.420 nan 0.000 0.216 414 P C 1.534 178.777 177.300 -0.096 0.000 1.153 414 P CA 0.884 63.818 63.100 -0.277 0.000 0.858 414 P CB 0.094 31.476 31.700 -0.529 0.000 0.789 415 R N 0.046 120.496 120.500 -0.083 0.000 2.073 415 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 415 R C 2.244 178.515 176.300 -0.048 0.000 1.134 415 R CA 1.717 57.779 56.100 -0.063 0.000 0.952 415 R CB -0.498 29.771 30.300 -0.052 0.000 0.850 415 R HN 0.214 nan 8.270 nan 0.000 0.433 416 Q N -0.268 119.518 119.800 -0.023 0.000 2.172 416 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 416 Q C 2.203 178.168 176.000 -0.058 0.000 0.964 416 Q CA 1.214 57.001 55.803 -0.027 0.000 0.855 416 Q CB 0.110 28.851 28.738 0.004 0.000 0.918 416 Q HN 0.502 nan 8.270 nan 0.000 0.444 417 Q N 0.046 119.839 119.800 -0.013 0.000 2.124 417 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 417 Q C 2.090 178.070 176.000 -0.034 0.000 0.977 417 Q CA 1.226 57.023 55.803 -0.010 0.000 0.850 417 Q CB -0.125 28.681 28.738 0.114 0.000 0.901 417 Q HN 0.361 nan 8.270 nan 0.000 0.429 418 A N 1.443 124.241 122.820 -0.037 0.000 1.933 418 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 418 A C 1.905 179.417 177.584 -0.121 0.000 1.175 418 A CA 1.408 53.407 52.037 -0.062 0.000 0.628 418 A CB -0.242 18.718 19.000 -0.067 0.000 0.814 418 A HN 0.186 nan 8.150 nan 0.000 0.444 419 K N -0.854 119.450 120.400 -0.161 0.000 2.026 419 K HA -0.101 4.219 4.320 -0.001 0.000 0.208 419 K C 2.100 178.524 176.600 -0.293 0.000 1.048 419 K CA 1.727 57.829 56.287 -0.308 0.000 0.929 419 K CB -0.327 32.032 32.500 -0.234 0.000 0.713 419 K HN 0.490 nan 8.250 nan 0.000 0.439 420 M N 0.533 120.038 119.600 -0.159 0.000 2.073 420 M HA -0.224 4.255 4.480 -0.001 0.000 0.258 420 M C 2.471 178.850 176.300 0.131 0.000 1.070 420 M CA 1.932 57.138 55.300 -0.158 0.000 1.103 420 M CB -0.444 31.846 32.600 -0.518 0.000 1.321 420 M HN 0.250 nan 8.290 nan 0.000 0.405 421 A N -0.364 122.478 122.820 0.038 0.000 1.902 421 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 421 A C 1.993 179.615 177.584 0.062 0.000 1.181 421 A CA 2.014 54.094 52.037 0.071 0.000 0.623 421 A CB -0.824 18.188 19.000 0.019 0.000 0.818 421 A HN 0.590 nan 8.150 nan 0.000 0.443 422 E N -1.506 118.675 120.200 -0.031 0.000 2.072 422 E HA -0.210 4.139 4.350 -0.001 0.000 0.191 422 E C 1.745 178.341 176.600 -0.007 0.000 0.985 422 E CA 1.206 57.567 56.400 -0.066 0.000 0.801 422 E CB -0.248 29.349 29.700 -0.172 0.000 0.750 422 E HN 0.670 nan 8.360 nan 0.000 0.452 423 Y N 0.552 120.890 120.300 0.063 0.000 2.128 423 Y HA -0.308 4.242 4.550 -0.001 0.000 0.284 423 Y C 2.666 178.527 175.900 -0.065 0.000 1.154 423 Y CA 1.131 59.253 58.100 0.036 0.000 1.149 423 Y CB -1.030 37.528 38.460 0.163 0.000 0.976 423 Y HN 0.258 nan 8.280 nan 0.000 0.505 424 C N -0.217 119.201 119.300 0.197 0.000 2.413 424 C HA -0.209 4.251 4.460 -0.001 0.000 0.277 424 C C 2.777 177.832 174.990 0.108 0.000 1.228 424 C CA 1.078 60.135 59.018 0.064 0.000 1.731 424 C CB -1.121 26.825 27.740 0.344 0.000 2.042 424 C HN 0.498 nan 8.230 nan 0.000 0.468 425 R N 0.670 121.250 120.500 0.133 0.000 2.081 425 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 425 R C 2.330 178.690 176.300 0.100 0.000 1.131 425 R CA 2.163 58.338 56.100 0.125 0.000 0.960 425 R CB -0.850 29.498 30.300 0.081 0.000 0.856 425 R HN 0.781 nan 8.270 nan 0.000 0.436 426 T N -1.036 113.557 114.554 0.065 0.000 2.851 426 T HA 0.022 4.372 4.350 -0.001 0.000 0.262 426 T C 2.009 176.739 174.700 0.050 0.000 1.043 426 T CA 0.751 62.885 62.100 0.056 0.000 1.140 426 T CB -0.203 68.694 68.868 0.048 0.000 0.872 426 T HN 0.090 nan 8.240 nan 0.000 0.446 427 I N -0.304 120.259 120.570 -0.012 0.000 2.333 427 I HA 0.052 4.221 4.170 -0.001 0.000 0.246 427 I C 2.076 178.206 176.117 0.021 0.000 1.106 427 I CA 0.995 62.255 61.300 -0.067 0.000 1.411 427 I CB -0.295 37.572 38.000 -0.221 0.000 1.082 427 I HN 0.090 nan 8.210 nan 0.000 0.420 428 F N 1.133 121.141 119.950 0.097 0.000 2.293 428 F HA 0.156 4.682 4.527 -0.001 0.000 0.297 428 F C 2.065 177.923 175.800 0.097 0.000 1.089 428 F CA 0.517 58.576 58.000 0.098 0.000 1.377 428 F CB -1.394 37.667 39.000 0.102 0.000 1.051 428 F HN 0.175 nan 8.300 nan 0.000 0.511 429 G N 0.880 109.833 108.800 0.255 0.000 2.651 429 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.315 429 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.315 429 G C 0.898 175.893 174.900 0.159 0.000 1.258 429 G CA 0.760 45.962 45.100 0.169 0.000 1.002 429 G HN 0.239 nan 8.290 nan 0.000 0.551 430 D N 0.633 121.105 120.400 0.120 0.000 2.350 430 D HA 0.035 4.675 4.640 -0.001 0.000 0.216 430 D C 2.612 178.960 176.300 0.081 0.000 0.968 430 D CA 1.121 55.171 54.000 0.084 0.000 0.894 430 D CB -0.152 40.681 40.800 0.055 0.000 0.909 430 D HN 0.465 nan 8.370 nan 0.000 0.520 431 M N -0.215 119.460 119.600 0.125 0.000 2.254 431 M HA -0.063 4.417 4.480 -0.001 0.000 0.265 431 M C 0.617 176.965 176.300 0.080 0.000 1.066 431 M CA 0.190 55.560 55.300 0.116 0.000 1.123 431 M CB 0.078 32.808 32.600 0.216 0.000 1.388 431 M HN -0.028 nan 8.290 nan 0.000 0.425 432 L N 1.700 122.995 121.223 0.120 0.000 2.410 432 L HA 0.183 4.522 4.340 -0.001 0.000 0.273 432 L C -0.451 176.467 176.870 0.079 0.000 1.144 432 L CA -0.021 54.880 54.840 0.101 0.000 0.863 432 L CB 0.393 42.590 42.059 0.231 0.000 1.140 432 L HN 0.057 nan 8.230 nan 0.000 0.463 433 L N 5.097 126.357 121.223 0.061 0.000 2.363 433 L HA 0.245 4.585 4.340 -0.001 0.000 0.286 433 L C 1.208 178.109 176.870 0.051 0.000 1.106 433 L CA 0.703 55.582 54.840 0.066 0.000 0.859 433 L CB 0.555 42.670 42.059 0.093 0.000 1.223 433 L HN 0.918 nan 8.230 nan 0.000 0.446 434 T N 0.263 114.843 114.554 0.043 0.000 3.044 434 T HA 0.189 4.538 4.350 -0.001 0.000 0.250 434 T C 0.282 174.977 174.700 -0.008 0.000 1.081 434 T CA 0.290 62.404 62.100 0.024 0.000 1.040 434 T CB -0.165 68.724 68.868 0.035 0.000 0.962 434 T HN 0.654 nan 8.240 nan 0.000 0.506 435 E N 0.620 120.815 120.200 -0.008 0.000 2.390 435 E HA 0.533 4.883 4.350 -0.001 0.000 0.277 435 E C -3.251 173.324 176.600 -0.042 0.000 0.939 435 E CA -2.681 53.694 56.400 -0.042 0.000 0.769 435 E CB 1.244 30.931 29.700 -0.022 0.000 1.251 435 E HN -0.063 nan 8.360 nan 0.000 0.450 436 P HA 0.062 nan 4.420 nan 0.000 0.270 436 P C -0.140 177.235 177.300 0.125 0.000 1.223 436 P CA -0.189 62.844 63.100 -0.111 0.000 0.785 436 P CB 0.638 32.175 31.700 -0.270 0.000 0.923 437 L N 1.170 122.598 121.223 0.341 0.000 2.439 437 L HA 0.091 4.431 4.340 -0.001 0.000 0.269 437 L C 2.177 179.172 176.870 0.208 0.000 1.179 437 L CA 0.017 55.022 54.840 0.275 0.000 0.828 437 L CB -0.147 42.126 42.059 0.357 0.000 1.106 437 L HN 0.502 nan 8.230 nan 0.000 0.467 438 E N 1.629 121.898 120.200 0.115 0.000 2.110 438 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 438 E C 1.885 178.487 176.600 0.003 0.000 0.988 438 E CA 1.381 57.810 56.400 0.048 0.000 0.804 438 E CB 0.172 29.885 29.700 0.021 0.000 0.745 438 E HN 0.521 nan 8.360 nan 0.000 0.458 439 K N -0.682 119.697 120.400 -0.035 0.000 2.288 439 K HA -0.065 4.254 4.320 -0.001 0.000 0.201 439 K C -0.392 175.882 176.600 -0.544 0.000 1.048 439 K CA 0.573 56.675 56.287 -0.310 0.000 0.956 439 K CB 0.169 32.416 32.500 -0.422 0.000 0.746 439 K HN 0.036 nan 8.250 nan 0.000 0.461 440 F N 2.209 122.210 119.950 0.085 0.000 2.550 440 F HA 0.324 4.851 4.527 -0.001 0.000 0.348 440 F C -2.264 173.647 175.800 0.184 0.000 1.219 440 F CA -2.546 55.536 58.000 0.135 0.000 1.203 440 F CB 1.103 40.173 39.000 0.117 0.000 1.436 440 F HN -0.078 nan 8.300 nan 0.000 0.541 441 P HA 0.083 nan 4.420 nan 0.000 0.272 441 P C -0.109 177.228 177.300 0.061 0.000 1.230 441 P CA -0.225 62.924 63.100 0.082 0.000 0.788 441 P CB 1.460 33.179 31.700 0.030 0.000 0.949 442 L N 1.888 123.027 121.223 -0.139 0.000 2.391 442 L HA 0.208 4.548 4.340 -0.001 0.000 0.249 442 L C 0.804 177.573 176.870 -0.168 0.000 1.308 442 L CA 0.170 54.747 54.840 -0.438 0.000 1.209 442 L CB -0.766 40.778 42.059 -0.858 0.000 1.401 442 L HN 0.158 nan 8.230 nan 0.000 0.416 443 K N 1.367 121.851 120.400 0.141 0.000 2.443 443 K HA 0.579 4.899 4.320 -0.001 0.000 0.251 443 K C -2.593 174.173 176.600 0.276 0.000 0.972 443 K CA -2.287 54.118 56.287 0.197 0.000 0.833 443 K CB 1.790 34.350 32.500 0.099 0.000 1.317 443 K HN -0.172 nan 8.250 nan 0.000 0.441 444 P HA 0.060 nan 4.420 nan 0.000 0.266 444 P C 0.673 178.033 177.300 0.100 0.000 1.195 444 P CA 0.854 64.026 63.100 0.120 0.000 0.768 444 P CB 0.385 32.123 31.700 0.064 0.000 0.838 445 G N 0.820 109.670 108.800 0.084 0.000 2.199 445 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.254 445 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.254 445 G C 0.004 174.962 174.900 0.096 0.000 0.982 445 G CA -0.036 45.108 45.100 0.073 0.000 0.632 445 G HN 0.537 nan 8.290 nan 0.000 0.529 446 V N 3.672 123.671 119.914 0.140 0.000 2.432 446 V HA 0.495 4.615 4.120 -0.001 0.000 0.275 446 V C -0.966 175.255 176.094 0.212 0.000 1.043 446 V CA -1.286 61.121 62.300 0.178 0.000 0.925 446 V CB 1.395 33.346 31.823 0.213 0.000 0.985 446 V HN 0.271 nan 8.190 nan 0.000 0.466 447 P HA 0.237 nan 4.420 nan 0.000 0.274 447 P C -0.282 177.093 177.300 0.126 0.000 1.246 447 P CA -0.484 62.697 63.100 0.135 0.000 0.795 447 P CB 0.985 32.745 31.700 0.100 0.000 1.006 448 L N 1.998 123.200 121.223 -0.035 0.000 2.467 448 L HA 0.159 4.499 4.340 -0.001 0.000 0.270 448 L C -1.757 174.757 176.870 -0.593 0.000 1.205 448 L CA -1.563 53.144 54.840 -0.222 0.000 0.828 448 L CB -0.444 41.521 42.059 -0.156 0.000 1.101 448 L HN 0.291 nan 8.230 nan 0.000 0.479 449 P HA 0.043 nan 4.420 nan 0.000 0.271 449 P C -0.819 176.084 177.300 -0.661 0.000 1.244 449 P CA -0.462 61.788 63.100 -1.417 0.000 0.793 449 P CB 0.553 31.481 31.700 -1.286 0.000 0.984 450 S N 0.379 115.797 115.700 -0.470 0.000 2.652 450 S HA 0.327 4.796 4.470 -0.001 0.000 0.270 450 S C -1.811 172.614 174.600 -0.292 0.000 1.243 450 S CA -1.084 56.963 58.200 -0.256 0.000 0.999 450 S CB 0.209 63.333 63.200 -0.127 0.000 0.973 450 S HN 0.204 nan 8.310 nan 0.000 0.544 451 P HA -0.116 nan 4.420 nan 0.000 0.216 451 P C 1.356 178.580 177.300 -0.126 0.000 1.150 451 P CA 1.288 64.110 63.100 -0.463 0.000 0.843 451 P CB 0.047 31.112 31.700 -1.059 0.000 0.787 452 E N -0.255 119.899 120.200 -0.077 0.000 2.077 452 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 452 E C 1.581 178.152 176.600 -0.048 0.000 0.989 452 E CA 1.303 57.719 56.400 0.027 0.000 0.800 452 E CB -0.967 28.756 29.700 0.038 0.000 0.746 452 E HN 0.153 nan 8.360 nan 0.000 0.452 453 D N -0.493 119.856 120.400 -0.084 0.000 2.218 453 D HA -0.126 4.514 4.640 -0.001 0.000 0.204 453 D C 0.881 177.120 176.300 -0.103 0.000 0.976 453 D CA 0.849 54.801 54.000 -0.080 0.000 0.853 453 D CB 0.134 40.851 40.800 -0.139 0.000 0.939 453 D HN 0.271 nan 8.370 nan 0.000 0.481 454 L N 0.167 121.308 121.223 -0.136 0.000 3.066 454 L HA 0.190 4.529 4.340 -0.001 0.000 0.265 454 L C 0.729 177.518 176.870 -0.135 0.000 1.232 454 L CA -0.471 54.297 54.840 -0.121 0.000 1.031 454 L CB 0.509 42.489 42.059 -0.131 0.000 1.379 454 L HN -0.239 nan 8.230 nan 0.000 0.563 455 R N 1.138 121.535 120.500 -0.173 0.000 2.537 455 R HA 0.115 4.454 4.340 -0.001 0.000 0.281 455 R C 1.157 177.211 176.300 -0.411 0.000 0.988 455 R CA 1.223 57.143 56.100 -0.301 0.000 1.077 455 R CB 0.248 30.359 30.300 -0.315 0.000 0.932 455 R HN 0.385 nan 8.270 nan 0.000 0.409 456 G N 3.142 111.510 108.800 -0.719 0.000 2.153 456 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.252 456 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.252 456 G C -0.388 174.038 174.900 -0.790 0.000 0.994 456 G CA 0.278 44.580 45.100 -1.330 0.000 0.698 456 G HN 0.494 nan 8.290 nan 0.000 0.521 457 K N -0.160 120.078 120.400 -0.270 0.000 2.156 457 K HA 0.691 5.011 4.320 -0.001 0.000 0.254 457 K C 0.243 176.971 176.600 0.212 0.000 0.950 457 K CA -0.852 55.444 56.287 0.014 0.000 0.849 457 K CB 1.884 34.380 32.500 -0.006 0.000 1.100 457 K HN 0.232 nan 8.250 nan 0.000 0.434 458 I N 3.442 124.072 120.570 0.100 0.000 2.354 458 I HA 0.241 4.410 4.170 -0.001 0.000 0.292 458 I C -0.679 175.430 176.117 -0.014 0.000 0.989 458 I CA -1.012 60.266 61.300 -0.036 0.000 1.188 458 I CB 0.951 38.711 38.000 -0.399 0.000 1.342 458 I HN 0.151 nan 8.210 nan 0.000 0.457 459 L N 7.256 128.495 121.223 0.027 0.000 2.322 459 L HA 0.460 4.800 4.340 -0.001 0.000 0.281 459 L C -0.333 176.564 176.870 0.044 0.000 1.014 459 L CA -0.399 54.477 54.840 0.060 0.000 0.815 459 L CB 1.404 43.530 42.059 0.111 0.000 1.247 459 L HN 0.344 nan 8.230 nan 0.000 0.421 460 I N 3.190 123.763 120.570 0.005 0.000 2.315 460 I HA 0.236 4.406 4.170 -0.001 0.000 0.291 460 I C 0.289 176.363 176.117 -0.072 0.000 1.006 460 I CA -0.411 60.838 61.300 -0.084 0.000 1.265 460 I CB 1.094 38.952 38.000 -0.237 0.000 1.387 460 I HN 0.614 nan 8.210 nan 0.000 0.475 461 K N 6.444 126.835 120.400 -0.015 0.000 2.268 461 K HA 0.391 4.710 4.320 -0.001 0.000 0.276 461 K C -0.899 175.689 176.600 -0.020 0.000 1.080 461 K CA -0.190 56.111 56.287 0.024 0.000 0.910 461 K CB 0.684 33.245 32.500 0.100 0.000 1.163 461 K HN 0.703 nan 8.250 nan 0.000 0.465 462 N N 2.461 121.117 118.700 -0.072 0.000 2.591 462 N HA 0.178 4.917 4.740 -0.001 0.000 0.263 462 N C -1.736 173.740 175.510 -0.057 0.000 1.308 462 N CA -0.780 52.222 53.050 -0.080 0.000 0.837 462 N CB 1.393 39.744 38.487 -0.226 0.000 1.548 462 N HN 0.310 nan 8.380 nan 0.000 0.493 463 K N 1.410 121.777 120.400 -0.055 0.000 2.527 463 K HA 0.011 4.330 4.320 -0.001 0.000 0.278 463 K C -0.497 176.067 176.600 -0.061 0.000 0.981 463 K CA 0.580 56.836 56.287 -0.053 0.000 1.009 463 K CB 0.462 32.915 32.500 -0.078 0.000 0.895 463 K HN 0.345 nan 8.250 nan 0.000 0.493 464 K N 2.574 122.954 120.400 -0.034 0.000 2.427 464 K HA 0.201 4.521 4.320 -0.001 0.000 0.252 464 K C -0.694 175.895 176.600 -0.018 0.000 0.931 464 K CA -0.766 55.503 56.287 -0.031 0.000 0.793 464 K CB 1.089 33.580 32.500 -0.015 0.000 1.211 464 K HN 0.485 nan 8.250 nan 0.000 0.426 517 L N 1.756 122.974 121.223 -0.009 0.000 2.068 517 L HA 0.090 4.430 4.340 -0.001 0.000 0.204 517 L C 0.661 177.519 176.870 -0.020 0.000 1.076 517 L CA 1.398 56.231 54.840 -0.012 0.000 0.753 517 L CB -0.504 41.556 42.059 0.002 0.000 0.910 517 L HN 0.334 nan 8.230 nan 0.000 0.439 518 D N -1.565 118.826 120.400 -0.014 0.000 2.423 518 D HA 0.019 4.659 4.640 -0.001 0.000 0.255 518 D C 0.950 177.238 176.300 -0.021 0.000 1.174 518 D CA -0.349 53.642 54.000 -0.014 0.000 1.008 518 D CB 0.422 41.217 40.800 -0.007 0.000 1.101 518 D HN 0.116 nan 8.370 nan 0.000 0.516 519 E N -0.502 119.687 120.200 -0.018 0.000 2.085 519 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 519 E C 1.534 178.123 176.600 -0.019 0.000 0.994 519 E CA 1.439 57.827 56.400 -0.021 0.000 0.801 519 E CB 0.005 29.696 29.700 -0.015 0.000 0.743 519 E HN 0.498 nan 8.360 nan 0.000 0.453 520 E N 0.830 121.022 120.200 -0.013 0.000 2.072 520 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 520 E C 1.817 178.412 176.600 -0.008 0.000 0.985 520 E CA 1.014 57.408 56.400 -0.010 0.000 0.801 520 E CB -0.023 29.674 29.700 -0.007 0.000 0.750 520 E HN 0.292 nan 8.360 nan 0.000 0.452 521 E N 0.098 120.293 120.200 -0.009 0.000 2.106 521 E HA -0.113 4.237 4.350 -0.001 0.000 0.192 521 E C 2.076 178.671 176.600 -0.010 0.000 0.984 521 E CA 0.715 57.112 56.400 -0.005 0.000 0.806 521 E CB -0.112 29.586 29.700 -0.004 0.000 0.750 521 E HN 0.243 nan 8.360 nan 0.000 0.458 522 I N 1.298 121.853 120.570 -0.026 0.000 2.179 522 I HA -0.306 3.864 4.170 -0.001 0.000 0.242 522 I C 2.277 178.381 176.117 -0.022 0.000 1.088 522 I CA 1.316 62.591 61.300 -0.043 0.000 1.357 522 I CB -0.158 37.798 38.000 -0.072 0.000 1.051 522 I HN 0.012 nan 8.210 nan 0.000 0.409 523 K N 0.596 120.986 120.400 -0.017 0.000 2.057 523 K HA -0.241 4.078 4.320 -0.001 0.000 0.207 523 K C 2.185 178.787 176.600 0.004 0.000 1.049 523 K CA 1.387 57.668 56.287 -0.010 0.000 0.931 523 K CB -0.158 32.334 32.500 -0.014 0.000 0.714 523 K HN 0.206 nan 8.250 nan 0.000 0.440 524 K N 1.058 121.461 120.400 0.006 0.000 2.026 524 K HA -0.134 4.185 4.320 -0.001 0.000 0.208 524 K C 2.216 178.835 176.600 0.032 0.000 1.048 524 K CA 1.346 57.642 56.287 0.016 0.000 0.929 524 K CB -0.039 32.469 32.500 0.013 0.000 0.713 524 K HN 0.075 nan 8.250 nan 0.000 0.439 525 M N 0.836 120.458 119.600 0.037 0.000 2.117 525 M HA -0.227 4.252 4.480 -0.001 0.000 0.262 525 M C 2.000 178.353 176.300 0.088 0.000 1.065 525 M CA 1.669 57.008 55.300 0.066 0.000 1.114 525 M CB 0.041 32.678 32.600 0.062 0.000 1.361 525 M HN 0.209 nan 8.290 nan 0.000 0.408 526 Q N -0.479 119.360 119.800 0.066 0.000 2.170 526 Q HA -0.164 4.175 4.340 -0.001 0.000 0.203 526 Q C 2.019 178.072 176.000 0.089 0.000 0.976 526 Q CA 1.944 57.799 55.803 0.086 0.000 0.858 526 Q CB -0.166 28.600 28.738 0.047 0.000 0.907 526 Q HN 0.700 nan 8.270 nan 0.000 0.433 527 S N -0.655 115.080 115.700 0.059 0.000 2.489 527 S HA -0.078 4.392 4.470 -0.001 0.000 0.228 527 S C 0.919 175.549 174.600 0.050 0.000 0.995 527 S CA 1.028 59.255 58.200 0.045 0.000 0.934 527 S CB 0.293 63.506 63.200 0.021 0.000 0.771 527 S HN 0.245 nan 8.310 nan 0.000 0.522 528 D N 1.188 121.629 120.400 0.068 0.000 3.100 528 D HA 0.059 4.698 4.640 -0.001 0.000 0.197 528 D C 1.806 178.171 176.300 0.107 0.000 1.362 528 D CA 0.622 54.654 54.000 0.053 0.000 1.477 528 D CB -0.200 40.623 40.800 0.038 0.000 1.048 528 D HN 0.256 nan 8.370 nan 0.000 0.186 529 E N 1.217 121.507 120.200 0.150 0.000 2.347 529 E HA 0.105 4.454 4.350 -0.001 0.000 0.196 529 E C 1.278 178.090 176.600 0.354 0.000 1.008 529 E CA 1.069 57.639 56.400 0.282 0.000 0.852 529 E CB -0.222 29.632 29.700 0.257 0.000 0.783 529 E HN 0.455 nan 8.360 nan 0.000 0.505 530 G N 1.472 110.438 108.800 0.278 0.000 2.582 530 G HA2 -0.458 3.501 3.960 -0.001 0.000 0.288 530 G HA3 -0.458 3.501 3.960 -0.001 0.000 0.288 530 G C 0.998 176.101 174.900 0.337 0.000 1.247 530 G CA 1.933 47.223 45.100 0.317 0.000 0.972 530 G HN 0.448 nan 8.290 nan 0.000 0.557 531 T N -1.213 113.602 114.554 0.436 0.000 3.051 531 T HA 0.294 4.644 4.350 -0.001 0.000 0.269 531 T C 2.484 177.456 174.700 0.453 0.000 1.127 531 T CA 2.010 64.402 62.100 0.487 0.000 1.107 531 T CB -0.332 68.910 68.868 0.623 0.000 0.898 531 T HN 1.935 nan 8.240 nan 0.000 0.517 532 A N 1.477 124.494 122.820 0.329 0.000 2.125 532 A HA 0.267 4.587 4.320 -0.001 0.000 0.219 532 A C 2.439 180.132 177.584 0.182 0.000 1.156 532 A CA 1.137 53.293 52.037 0.199 0.000 0.671 532 A CB -1.234 17.828 19.000 0.102 0.000 0.794 532 A HN 0.624 nan 8.150 nan 0.000 0.459 533 G N -1.271 107.660 108.800 0.218 0.000 2.920 533 G HA2 0.301 4.261 3.960 -0.001 0.000 0.208 533 G HA3 0.301 4.261 3.960 -0.001 0.000 0.208 533 G C 0.787 175.782 174.900 0.157 0.000 1.159 533 G CA 0.263 45.462 45.100 0.164 0.000 0.784 533 G HN 0.437 nan 8.290 nan 0.000 0.535 534 L N 0.193 121.551 121.223 0.225 0.000 3.168 534 L HA 0.310 4.649 4.340 -0.001 0.000 0.277 534 L C 0.311 177.266 176.870 0.142 0.000 1.245 534 L CA -0.278 54.713 54.840 0.252 0.000 1.035 534 L CB 0.491 42.796 42.059 0.410 0.000 1.399 534 L HN 0.094 nan 8.230 nan 0.000 0.580 535 E N 1.265 121.429 120.200 -0.060 0.000 2.404 535 E HA 0.228 4.577 4.350 -0.001 0.000 0.261 535 E C -0.253 176.243 176.600 -0.173 0.000 1.074 535 E CA -0.100 56.118 56.400 -0.304 0.000 0.917 535 E CB 1.899 31.441 29.700 -0.263 0.000 0.965 535 E HN 0.081 nan 8.360 nan 0.000 0.433 536 V N -0.640 119.138 119.914 -0.227 0.000 3.093 536 V HA 0.418 4.537 4.120 -0.001 0.000 0.320 536 V C 0.186 176.163 176.094 -0.194 0.000 1.093 536 V CA -0.948 61.261 62.300 -0.152 0.000 1.016 536 V CB 1.652 33.403 31.823 -0.119 0.000 1.096 536 V HN 0.573 nan 8.190 nan 0.000 0.452 537 T N 2.468 116.896 114.554 -0.211 0.000 2.940 537 T HA 0.508 4.858 4.350 -0.001 0.000 0.309 537 T C 0.286 174.677 174.700 -0.515 0.000 1.056 537 T CA 0.640 62.561 62.100 -0.299 0.000 1.137 537 T CB 0.736 69.442 68.868 -0.270 0.000 0.976 537 T HN 1.362 nan 8.240 nan 0.000 0.547 538 A N 3.235 125.810 122.820 -0.409 0.000 2.309 538 A HA 0.637 4.956 4.320 -0.001 0.000 0.298 538 A C -0.566 176.741 177.584 -0.461 0.000 1.165 538 A CA -0.690 51.106 52.037 -0.401 0.000 0.821 538 A CB 0.181 19.064 19.000 -0.196 0.000 1.102 538 A HN 0.833 nan 8.150 nan 0.000 0.500 539 Y N -0.140 120.139 120.300 -0.034 0.000 2.453 539 Y HA 0.276 4.825 4.550 -0.001 0.000 0.344 539 Y C 1.741 177.621 175.900 -0.032 0.000 1.323 539 Y CA -0.204 57.877 58.100 -0.030 0.000 1.526 539 Y CB 0.541 38.983 38.460 -0.030 0.000 1.603 539 Y HN 0.872 nan 8.280 nan 0.000 0.563 540 E N 0.371 120.666 120.200 0.158 0.000 2.077 540 E HA -0.246 4.104 4.350 -0.001 0.000 0.193 540 E C 1.399 178.020 176.600 0.035 0.000 0.989 540 E CA 1.804 58.242 56.400 0.063 0.000 0.800 540 E CB 0.099 29.826 29.700 0.044 0.000 0.746 540 E HN 0.727 nan 8.360 nan 0.000 0.452 541 E N -0.070 120.156 120.200 0.044 0.000 2.051 541 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 541 E C 1.969 178.571 176.600 0.003 0.000 0.991 541 E CA 1.349 57.760 56.400 0.017 0.000 0.799 541 E CB -0.077 29.630 29.700 0.012 0.000 0.748 541 E HN 0.265 nan 8.360 nan 0.000 0.449 542 M N 0.087 119.688 119.600 0.002 0.000 2.156 542 M HA -0.025 4.455 4.480 -0.001 0.000 0.264 542 M C 2.226 178.486 176.300 -0.067 0.000 1.067 542 M CA 1.212 56.487 55.300 -0.042 0.000 1.131 542 M CB -0.810 31.760 32.600 -0.050 0.000 1.368 542 M HN -0.006 nan 8.290 nan 0.000 0.416 543 S N 1.106 116.777 115.700 -0.048 0.000 2.383 543 S HA -0.117 4.352 4.470 -0.001 0.000 0.229 543 S C 1.952 176.523 174.600 -0.050 0.000 1.030 543 S CA 1.703 59.872 58.200 -0.052 0.000 1.002 543 S CB -0.436 62.743 63.200 -0.035 0.000 0.829 543 S HN 0.676 nan 8.310 nan 0.000 0.467 544 S N 1.326 117.005 115.700 -0.036 0.000 2.474 544 S HA 0.098 4.567 4.470 -0.001 0.000 0.235 544 S C 1.479 176.054 174.600 -0.042 0.000 0.997 544 S CA 0.545 58.724 58.200 -0.035 0.000 0.949 544 S CB -0.482 62.707 63.200 -0.019 0.000 0.766 544 S HN 0.469 nan 8.310 nan 0.000 0.517 545 L N 1.309 122.502 121.223 -0.050 0.000 2.558 545 L HA 0.282 4.622 4.340 -0.001 0.000 0.225 545 L C -0.081 176.747 176.870 -0.070 0.000 1.128 545 L CA -0.132 54.679 54.840 -0.048 0.000 0.868 545 L CB 0.132 42.160 42.059 -0.051 0.000 1.006 545 L HN 0.195 nan 8.230 nan 0.000 0.454 546 V N 1.164 121.028 119.914 -0.084 0.000 2.439 546 V HA 0.211 4.330 4.120 -0.001 0.000 0.282 546 V C -0.062 175.969 176.094 -0.104 0.000 1.039 546 V CA -0.312 61.940 62.300 -0.081 0.000 0.913 546 V CB 1.392 33.173 31.823 -0.071 0.000 0.983 546 V HN 0.408 nan 8.190 nan 0.000 0.460 547 N N 2.668 121.296 118.700 -0.121 0.000 3.458 547 N HA 0.073 4.812 4.740 -0.001 0.000 0.228 547 N C 0.935 176.288 175.510 -0.262 0.000 1.248 547 N CA -0.183 52.693 53.050 -0.290 0.000 1.187 547 N CB 0.038 38.258 38.487 -0.444 0.000 1.130 547 N HN 0.335 nan 8.380 nan 0.000 0.812 548 Y N 0.813 121.137 120.300 0.040 0.000 2.519 548 Y HA 0.403 4.952 4.550 -0.001 0.000 0.287 548 Y C 0.254 176.242 175.900 0.147 0.000 1.128 548 Y CA 0.072 58.234 58.100 0.103 0.000 1.282 548 Y CB 0.368 38.862 38.460 0.058 0.000 1.027 548 Y HN 0.189 nan 8.280 nan 0.000 0.551 549 I N 1.427 122.132 120.570 0.225 0.000 2.778 549 I HA 0.212 4.381 4.170 -0.001 0.000 0.285 549 I C -0.714 175.486 176.117 0.138 0.000 1.236 549 I CA -0.495 60.915 61.300 0.184 0.000 1.089 549 I CB -0.147 37.946 38.000 0.154 0.000 1.601 549 I HN 0.075 nan 8.210 nan 0.000 0.573 550 Q N 6.037 125.940 119.800 0.171 0.000 2.360 550 Q HA 0.338 4.678 4.340 -0.001 0.000 0.254 550 Q C -2.311 173.759 176.000 0.117 0.000 0.975 550 Q CA -1.670 54.216 55.803 0.138 0.000 0.912 550 Q CB 1.754 30.614 28.738 0.204 0.000 1.212 550 Q HN 0.289 nan 8.270 nan 0.000 0.452 551 P HA 0.042 nan 4.420 nan 0.000 0.281 551 P C -0.685 176.652 177.300 0.061 0.000 1.252 551 P CA -0.051 63.089 63.100 0.066 0.000 0.778 551 P CB 1.213 32.937 31.700 0.039 0.000 0.895 552 T N -0.386 114.213 114.554 0.075 0.000 2.903 552 T HA 0.377 4.727 4.350 -0.001 0.000 0.299 552 T C -0.368 174.374 174.700 0.071 0.000 1.093 552 T CA -1.161 60.983 62.100 0.073 0.000 1.002 552 T CB 1.480 70.409 68.868 0.100 0.000 1.127 552 T HN 0.273 nan 8.240 nan 0.000 0.488 553 K N 1.724 122.153 120.400 0.048 0.000 2.447 553 K HA 0.196 4.515 4.320 -0.001 0.000 0.281 553 K C -0.538 176.107 176.600 0.075 0.000 1.031 553 K CA -0.588 55.727 56.287 0.048 0.000 1.019 553 K CB 0.057 32.561 32.500 0.006 0.000 0.918 553 K HN 0.573 nan 8.250 nan 0.000 0.476 554 F N 5.171 125.094 119.950 -0.044 0.000 2.484 554 F HA 0.048 4.574 4.527 -0.001 0.000 0.360 554 F C 0.539 176.277 175.800 -0.102 0.000 1.101 554 F CA -0.071 57.908 58.000 -0.035 0.000 1.251 554 F CB 0.800 39.828 39.000 0.047 0.000 1.132 554 F HN 0.322 nan 8.300 nan 0.000 0.570 555 V N 2.914 122.325 119.914 -0.838 0.000 2.735 555 V HA 0.220 4.339 4.120 -0.001 0.000 0.234 555 V C 0.193 175.686 176.094 -1.002 0.000 1.121 555 V CA 1.027 62.854 62.300 -0.788 0.000 1.160 555 V CB 0.151 31.422 31.823 -0.920 0.000 0.908 555 V HN 0.868 nan 8.190 nan 0.000 0.495 556 S N -2.297 112.708 115.700 -1.159 0.000 2.595 556 S HA 0.443 4.913 4.470 -0.001 0.000 0.270 556 S C -0.032 174.268 174.600 -0.501 0.000 1.145 556 S CA -0.529 57.137 58.200 -0.889 0.000 0.825 556 S CB 0.465 63.483 63.200 -0.304 0.000 1.107 556 S HN 0.064 nan 8.310 nan 0.000 0.461 557 F N 1.060 121.040 119.950 0.050 0.000 2.171 557 F HA -0.029 4.498 4.527 -0.001 0.000 0.300 557 F C 2.438 178.344 175.800 0.175 0.000 1.090 557 F CA 1.506 59.648 58.000 0.237 0.000 1.293 557 F CB -0.229 38.903 39.000 0.220 0.000 1.013 557 F HN 0.628 nan 8.300 nan 0.000 0.486 558 E N 0.095 120.455 120.200 0.267 0.000 2.051 558 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 558 E C 1.853 178.549 176.600 0.161 0.000 0.991 558 E CA 1.350 57.859 56.400 0.183 0.000 0.799 558 E CB -0.557 29.219 29.700 0.126 0.000 0.748 558 E HN 0.394 nan 8.360 nan 0.000 0.449 559 F N 1.067 121.010 119.950 -0.011 0.000 2.102 559 F HA -0.223 4.304 4.527 -0.001 0.000 0.298 559 F C 2.244 178.060 175.800 0.027 0.000 1.105 559 F CA 1.467 59.448 58.000 -0.031 0.000 1.239 559 F CB -0.195 38.733 39.000 -0.120 0.000 0.991 559 F HN -0.102 nan 8.300 nan 0.000 0.474 560 S N 0.399 116.266 115.700 0.278 0.000 2.370 560 S HA -0.213 4.256 4.470 -0.001 0.000 0.226 560 S C 2.274 176.968 174.600 0.156 0.000 1.033 560 S CA 1.108 59.477 58.200 0.282 0.000 1.011 560 S CB -0.879 62.670 63.200 0.581 0.000 0.852 560 S HN 0.533 nan 8.310 nan 0.000 0.457 561 A N 1.229 124.158 122.820 0.182 0.000 1.902 561 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 561 A C 2.116 179.710 177.584 0.017 0.000 1.181 561 A CA 1.914 54.018 52.037 0.113 0.000 0.623 561 A CB -0.760 18.325 19.000 0.141 0.000 0.818 561 A HN 0.486 nan 8.150 nan 0.000 0.443 562 Q N -0.057 119.718 119.800 -0.041 0.000 2.050 562 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 562 Q C 1.789 177.698 176.000 -0.150 0.000 0.980 562 Q CA 2.032 57.770 55.803 -0.108 0.000 0.840 562 Q CB -0.125 28.508 28.738 -0.176 0.000 0.898 562 Q HN 0.416 nan 8.270 nan 0.000 0.424 563 K N 0.458 120.720 120.400 -0.230 0.000 2.155 563 K HA -0.064 4.255 4.320 -0.001 0.000 0.203 563 K C 0.648 177.187 176.600 -0.102 0.000 1.052 563 K CA 0.916 57.079 56.287 -0.206 0.000 0.948 563 K CB -0.373 31.963 32.500 -0.274 0.000 0.728 563 K HN 0.409 nan 8.250 nan 0.000 0.448 564 N N 1.201 119.861 118.700 -0.067 0.000 2.758 564 N HA -0.180 4.560 4.740 -0.001 0.000 0.248 564 N C -1.333 174.143 175.510 -0.056 0.000 1.076 564 N CA 0.413 53.443 53.050 -0.034 0.000 0.696 564 N CB -1.069 37.412 38.487 -0.011 0.000 0.979 564 N HN 0.202 nan 8.380 nan 0.000 0.550 565 R N -0.007 120.410 120.500 -0.139 0.000 2.246 565 R HA 0.298 4.638 4.340 -0.001 0.000 0.332 565 R C 1.487 177.601 176.300 -0.311 0.000 0.974 565 R CA 0.149 56.042 56.100 -0.345 0.000 0.837 565 R CB 0.797 30.704 30.300 -0.656 0.000 1.145 565 R HN 0.372 nan 8.270 nan 0.000 0.467 566 S N 2.035 117.657 115.700 -0.130 0.000 2.481 566 S HA -0.163 4.307 4.470 -0.001 0.000 0.231 566 S C 1.308 175.941 174.600 0.055 0.000 0.996 566 S CA 0.473 58.667 58.200 -0.010 0.000 0.942 566 S CB -0.237 63.018 63.200 0.093 0.000 0.768 566 S HN 0.777 nan 8.310 nan 0.000 0.520 567 Y N 0.249 120.626 120.300 0.128 0.000 2.470 567 Y HA 0.697 5.247 4.550 -0.001 0.000 0.284 567 Y C 0.011 175.988 175.900 0.128 0.000 1.188 567 Y CA -1.084 57.110 58.100 0.157 0.000 1.269 567 Y CB -0.512 38.042 38.460 0.157 0.000 1.094 567 Y HN 0.028 nan 8.280 nan 0.000 0.518 568 V N 3.345 123.223 119.914 -0.060 0.000 2.398 568 V HA 0.288 4.407 4.120 -0.001 0.000 0.286 568 V C -0.208 175.974 176.094 0.146 0.000 1.026 568 V CA -1.162 61.163 62.300 0.042 0.000 0.868 568 V CB 1.883 33.694 31.823 -0.020 0.000 0.982 568 V HN 0.394 nan 8.190 nan 0.000 0.443 569 I N 3.835 124.509 120.570 0.173 0.000 2.460 569 I HA 0.557 4.726 4.170 -0.001 0.000 0.298 569 I C 0.014 176.231 176.117 0.167 0.000 0.989 569 I CA 0.220 61.642 61.300 0.204 0.000 1.173 569 I CB 1.814 39.915 38.000 0.169 0.000 1.338 569 I HN 0.623 nan 8.210 nan 0.000 0.456 570 S N 4.373 120.170 115.700 0.163 0.000 2.472 570 S HA 0.533 5.003 4.470 -0.001 0.000 0.303 570 S C -0.762 173.551 174.600 -0.479 0.000 1.099 570 S CA -0.604 57.489 58.200 -0.179 0.000 1.077 570 S CB 1.696 64.742 63.200 -0.257 0.000 1.031 570 S HN 0.628 nan 8.310 nan 0.000 0.487 571 S N 2.140 117.466 115.700 -0.623 0.000 2.500 571 S HA 0.749 5.219 4.470 -0.001 0.000 0.301 571 S C -1.147 173.114 174.600 -0.565 0.000 1.092 571 S CA -0.586 57.376 58.200 -0.397 0.000 1.030 571 S CB 0.465 63.659 63.200 -0.010 0.000 1.031 571 S HN 0.574 nan 8.310 nan 0.000 0.483 572 F N 0.870 120.873 119.950 0.089 0.000 2.578 572 F HA 0.422 4.949 4.527 -0.001 0.000 0.311 572 F C 0.955 176.469 175.800 -0.477 0.000 1.094 572 F CA -1.084 56.843 58.000 -0.122 0.000 0.923 572 F CB 1.661 40.576 39.000 -0.141 0.000 1.230 572 F HN 0.535 nan 8.300 nan 0.000 0.450 573 T N -2.323 111.943 114.554 -0.481 0.000 2.802 573 T HA 0.090 4.439 4.350 -0.001 0.000 0.305 573 T C 1.140 175.543 174.700 -0.496 0.000 1.053 573 T CA -0.112 61.512 62.100 -0.793 0.000 1.058 573 T CB 0.921 69.487 68.868 -0.505 0.000 0.988 573 T HN 0.878 nan 8.240 nan 0.000 0.539 574 E N 1.035 120.861 120.200 -0.623 0.000 2.171 574 E HA -0.176 4.174 4.350 -0.001 0.000 0.197 574 E C 1.928 178.459 176.600 -0.116 0.000 0.997 574 E CA 1.179 57.235 56.400 -0.574 0.000 0.810 574 E CB -0.550 28.708 29.700 -0.736 0.000 0.738 574 E HN 0.718 nan 8.360 nan 0.000 0.467 575 L N 0.464 121.614 121.223 -0.122 0.000 2.044 575 L HA -0.093 4.246 4.340 -0.001 0.000 0.205 575 L C 2.724 179.623 176.870 0.049 0.000 1.075 575 L CA 1.306 56.140 54.840 -0.009 0.000 0.747 575 L CB -0.360 41.675 42.059 -0.041 0.000 0.903 575 L HN 0.076 nan 8.230 nan 0.000 0.435 576 K N 0.880 121.268 120.400 -0.020 0.000 2.057 576 K HA -0.098 4.222 4.320 -0.001 0.000 0.206 576 K C 2.009 178.540 176.600 -0.114 0.000 1.050 576 K CA 1.651 57.909 56.287 -0.048 0.000 0.935 576 K CB -0.381 32.114 32.500 -0.009 0.000 0.715 576 K HN 0.198 nan 8.250 nan 0.000 0.439 577 A N -0.438 122.358 122.820 -0.039 0.000 1.930 577 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 577 A C 2.203 179.981 177.584 0.323 0.000 1.175 577 A CA 1.518 53.616 52.037 0.102 0.000 0.627 577 A CB -0.961 18.196 19.000 0.261 0.000 0.815 577 A HN 0.549 nan 8.150 nan 0.000 0.443 578 Y N 0.888 121.320 120.300 0.220 0.000 2.181 578 Y HA -0.235 4.314 4.550 -0.001 0.000 0.288 578 Y C 1.987 177.903 175.900 0.027 0.000 1.146 578 Y CA 2.092 60.256 58.100 0.106 0.000 1.164 578 Y CB -0.384 38.111 38.460 0.058 0.000 0.982 578 Y HN 0.428 nan 8.280 nan 0.000 0.515 579 D N -0.146 120.261 120.400 0.012 0.000 2.123 579 D HA -0.202 4.438 4.640 -0.001 0.000 0.196 579 D C 2.079 178.285 176.300 -0.158 0.000 0.992 579 D CA 1.822 55.757 54.000 -0.107 0.000 0.833 579 D CB -0.294 40.486 40.800 -0.033 0.000 0.954 579 D HN 0.462 nan 8.370 nan 0.000 0.455 580 L N -0.174 120.970 121.223 -0.131 0.000 2.056 580 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 580 L C 2.392 179.326 176.870 0.107 0.000 1.078 580 L CA 0.739 55.518 54.840 -0.101 0.000 0.749 580 L CB -0.571 41.229 42.059 -0.432 0.000 0.901 580 L HN 0.231 nan 8.230 nan 0.000 0.433 581 L N -3.595 117.748 121.223 0.200 0.000 2.313 581 L HA 0.068 4.408 4.340 -0.001 0.000 0.214 581 L C 2.165 178.975 176.870 -0.100 0.000 1.119 581 L CA 1.342 56.309 54.840 0.212 0.000 0.809 581 L CB -0.816 41.337 42.059 0.157 0.000 0.933 581 L HN -0.062 nan 8.230 nan 0.000 0.449 582 S N -0.135 115.360 115.700 -0.341 0.000 2.425 582 S HA 0.060 4.530 4.470 -0.001 0.000 0.225 582 S C 1.752 176.099 174.600 -0.422 0.000 1.024 582 S CA 1.018 58.867 58.200 -0.586 0.000 0.951 582 S CB -0.057 62.685 63.200 -0.764 0.000 0.796 582 S HN 0.536 nan 8.310 nan 0.000 0.498 583 K N 0.430 120.683 120.400 -0.245 0.000 2.367 583 K HA 0.375 4.695 4.320 -0.001 0.000 0.195 583 K C 0.366 176.922 176.600 -0.073 0.000 1.060 583 K CA 0.343 56.536 56.287 -0.156 0.000 1.022 583 K CB 0.749 33.178 32.500 -0.118 0.000 0.894 583 K HN 0.169 nan 8.250 nan 0.000 0.540 584 A N 0.828 123.640 122.820 -0.014 0.000 3.234 584 A HA 0.174 4.493 4.320 -0.001 0.000 0.247 584 A C 0.862 178.476 177.584 0.050 0.000 0.938 584 A CA -0.369 51.705 52.037 0.062 0.000 1.039 584 A CB 0.210 19.344 19.000 0.223 0.000 1.197 584 A HN 0.035 nan 8.150 nan 0.000 0.498 585 S N -0.475 115.230 115.700 0.008 0.000 2.359 585 S HA -0.166 4.304 4.470 -0.001 0.000 0.222 585 S C 1.912 176.529 174.600 0.030 0.000 1.038 585 S CA 2.525 60.758 58.200 0.054 0.000 1.051 585 S CB -0.222 63.006 63.200 0.046 0.000 0.944 585 S HN 0.564 nan 8.310 nan 0.000 0.433 586 V N 1.967 121.872 119.914 -0.015 0.000 2.343 586 V HA -0.190 3.930 4.120 -0.001 0.000 0.247 586 V C 2.707 178.781 176.094 -0.033 0.000 1.051 586 V CA 2.113 64.400 62.300 -0.020 0.000 1.036 586 V CB -0.864 30.946 31.823 -0.023 0.000 0.654 586 V HN 0.560 nan 8.190 nan 0.000 0.451 587 Q N -1.393 118.351 119.800 -0.093 0.000 2.124 587 Q HA -0.193 4.147 4.340 -0.001 0.000 0.202 587 Q C 2.229 177.873 176.000 -0.594 0.000 0.977 587 Q CA 1.605 57.265 55.803 -0.238 0.000 0.850 587 Q CB -0.218 28.431 28.738 -0.147 0.000 0.901 587 Q HN 0.591 nan 8.270 nan 0.000 0.429 588 F N 0.751 120.223 119.950 -0.797 0.000 2.113 588 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 588 F C 2.148 177.860 175.800 -0.147 0.000 1.103 588 F CA 0.627 58.198 58.000 -0.715 0.000 1.248 588 F CB -0.546 38.286 39.000 -0.278 0.000 0.999 588 F HN -0.202 nan 8.300 nan 0.000 0.475 589 V N 0.214 120.224 119.914 0.160 0.000 2.332 589 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 589 V C 2.159 178.360 176.094 0.179 0.000 1.055 589 V CA 2.195 64.601 62.300 0.177 0.000 1.038 589 V CB -0.697 31.239 31.823 0.188 0.000 0.651 589 V HN 0.189 nan 8.190 nan 0.000 0.450 590 D N -1.168 119.306 120.400 0.122 0.000 2.117 590 D HA -0.189 4.450 4.640 -0.001 0.000 0.197 590 D C 1.903 178.306 176.300 0.171 0.000 0.987 590 D CA 1.489 55.561 54.000 0.120 0.000 0.829 590 D CB -0.370 40.479 40.800 0.081 0.000 0.961 590 D HN 0.603 nan 8.370 nan 0.000 0.460 591 Y N 1.849 122.197 120.300 0.080 0.000 2.114 591 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 591 Y C 1.688 177.747 175.900 0.265 0.000 1.165 591 Y CA 1.643 59.870 58.100 0.212 0.000 1.148 591 Y CB -0.222 38.411 38.460 0.289 0.000 0.972 591 Y HN -0.089 nan 8.280 nan 0.000 0.504 592 N N 0.536 119.487 118.700 0.419 0.000 2.512 592 N HA -0.099 4.640 4.740 -0.001 0.000 0.183 592 N C 1.274 176.895 175.510 0.185 0.000 1.073 592 N CA 0.976 54.218 53.050 0.320 0.000 0.911 592 N CB -0.148 38.567 38.487 0.380 0.000 0.964 592 N HN 0.538 nan 8.380 nan 0.000 0.447 593 K N 0.203 120.693 120.400 0.150 0.000 2.296 593 K HA 0.021 4.341 4.320 -0.001 0.000 0.200 593 K C 1.907 178.644 176.600 0.227 0.000 1.048 593 K CA 0.494 56.884 56.287 0.172 0.000 0.966 593 K CB 0.407 32.974 32.500 0.112 0.000 0.754 593 K HN 0.104 nan 8.250 nan 0.000 0.466 594 R N 0.219 120.760 120.500 0.068 0.000 2.191 594 R HA 0.101 4.440 4.340 -0.001 0.000 0.196 594 R C 0.262 176.517 176.300 -0.075 0.000 0.991 594 R CA 0.353 56.452 56.100 -0.001 0.000 1.075 594 R CB 0.719 31.000 30.300 -0.031 0.000 1.040 594 R HN 0.037 nan 8.270 nan 0.000 0.526 595 Q N -0.265 119.406 119.800 -0.216 0.000 2.552 595 Q HA 0.395 4.735 4.340 -0.001 0.000 0.289 595 Q C -1.073 174.905 176.000 -0.036 0.000 1.097 595 Q CA -1.052 54.610 55.803 -0.234 0.000 0.812 595 Q CB 2.365 30.760 28.738 -0.572 0.000 1.460 595 Q HN 0.011 nan 8.270 nan 0.000 0.452 596 M N 1.318 121.002 119.600 0.140 0.000 2.277 596 M HA 0.352 4.832 4.480 -0.001 0.000 0.350 596 M C -0.385 176.222 176.300 0.512 0.000 1.180 596 M CA -0.094 55.387 55.300 0.301 0.000 1.103 596 M CB 1.103 33.850 32.600 0.245 0.000 1.577 596 M HN 0.699 nan 8.290 nan 0.000 0.459 597 S N 3.070 119.098 115.700 0.547 0.000 2.513 597 S HA 0.800 5.269 4.470 -0.001 0.000 0.299 597 S C -0.727 174.089 174.600 0.360 0.000 1.087 597 S CA -1.052 57.457 58.200 0.516 0.000 1.012 597 S CB 2.856 66.522 63.200 0.777 0.000 1.044 597 S HN 0.768 nan 8.310 nan 0.000 0.485 598 R N 2.022 122.669 120.500 0.246 0.000 2.534 598 R HA 0.618 4.957 4.340 -0.001 0.000 0.301 598 R C -1.307 175.121 176.300 0.214 0.000 0.961 598 R CA -0.752 55.483 56.100 0.225 0.000 0.871 598 R CB 0.729 31.141 30.300 0.187 0.000 1.170 598 R HN 0.688 nan 8.270 nan 0.000 0.446 599 I N 5.226 125.895 120.570 0.164 0.000 2.493 599 I HA 0.404 4.573 4.170 -0.001 0.000 0.298 599 I C -0.568 175.604 176.117 0.091 0.000 0.998 599 I CA -0.914 60.366 61.300 -0.034 0.000 1.137 599 I CB 1.097 38.828 38.000 -0.447 0.000 1.310 599 I HN 0.677 nan 8.210 nan 0.000 0.445 600 Y N 3.846 124.061 120.300 -0.143 0.000 2.588 600 Y HA 0.779 5.329 4.550 -0.001 0.000 0.343 600 Y C -3.165 172.613 175.900 -0.204 0.000 1.065 600 Y CA -3.252 54.789 58.100 -0.099 0.000 1.038 600 Y CB 0.885 39.319 38.460 -0.044 0.000 1.297 600 Y HN 0.273 nan 8.280 nan 0.000 0.467 601 P HA 0.114 nan 4.420 nan 0.000 0.271 601 P C -0.905 176.319 177.300 -0.127 0.000 1.218 601 P CA -0.415 62.647 63.100 -0.064 0.000 0.780 601 P CB 0.704 32.394 31.700 -0.017 0.000 0.901 602 K N 0.833 121.169 120.400 -0.107 0.000 2.276 602 K HA 0.211 4.530 4.320 -0.001 0.000 0.259 602 K C 1.350 177.984 176.600 0.056 0.000 1.001 602 K CA -0.089 56.168 56.287 -0.051 0.000 0.927 602 K CB -0.235 32.230 32.500 -0.059 0.000 0.969 602 K HN 0.475 nan 8.250 nan 0.000 0.490 603 G N 0.622 109.482 108.800 0.100 0.000 2.509 603 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.218 603 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.218 603 G C 1.381 176.354 174.900 0.121 0.000 1.124 603 G CA 0.952 46.148 45.100 0.160 0.000 0.776 603 G HN 0.861 nan 8.290 nan 0.000 0.547 604 T N -1.199 113.397 114.554 0.070 0.000 3.007 604 T HA 0.027 4.376 4.350 -0.001 0.000 0.270 604 T C 1.600 176.331 174.700 0.053 0.000 1.107 604 T CA 0.095 62.223 62.100 0.046 0.000 1.118 604 T CB -0.115 68.765 68.868 0.020 0.000 0.889 604 T HN 0.240 nan 8.240 nan 0.000 0.506 605 R N 0.984 121.528 120.500 0.072 0.000 4.556 605 R HA 0.355 4.694 4.340 -0.001 0.000 0.197 605 R C 1.088 177.451 176.300 0.104 0.000 1.791 605 R CA -0.227 55.917 56.100 0.074 0.000 1.526 605 R CB -0.398 29.946 30.300 0.073 0.000 1.410 605 R HN 0.466 nan 8.270 nan 0.000 0.826 606 M N 0.764 120.422 119.600 0.097 0.000 2.374 606 M HA -0.127 4.352 4.480 -0.001 0.000 0.264 606 M C 0.931 177.302 176.300 0.118 0.000 1.067 606 M CA 1.338 56.715 55.300 0.130 0.000 1.103 606 M CB -0.057 32.598 32.600 0.091 0.000 1.402 606 M HN 0.273 nan 8.290 nan 0.000 0.444 607 D N -0.959 119.488 120.400 0.078 0.000 2.336 607 D HA 0.010 4.650 4.640 -0.001 0.000 0.229 607 D C 0.219 176.551 176.300 0.053 0.000 1.061 607 D CA 0.256 54.292 54.000 0.061 0.000 0.875 607 D CB -0.226 40.597 40.800 0.038 0.000 0.904 607 D HN 0.125 nan 8.370 nan 0.000 0.525 608 S N -1.071 114.672 115.700 0.072 0.000 3.586 608 S HA -0.213 4.257 4.470 -0.001 0.000 0.309 608 S C 0.477 175.096 174.600 0.032 0.000 1.195 608 S CA 0.617 58.856 58.200 0.065 0.000 0.895 608 S CB -2.467 60.761 63.200 0.046 0.000 0.983 608 S HN 0.805 nan 8.310 nan 0.000 0.563 609 S N 1.414 117.130 115.700 0.025 0.000 2.580 609 S HA 0.460 4.930 4.470 -0.001 0.000 0.266 609 S C -0.005 174.587 174.600 -0.013 0.000 1.354 609 S CA -0.431 57.768 58.200 -0.002 0.000 1.008 609 S CB 0.560 63.762 63.200 0.004 0.000 0.898 609 S HN 0.398 nan 8.310 nan 0.000 0.555 610 N N 0.708 119.370 118.700 -0.064 0.000 2.335 610 N HA 0.391 5.130 4.740 -0.001 0.000 0.304 610 N C -0.918 174.523 175.510 -0.117 0.000 1.135 610 N CA -0.510 52.448 53.050 -0.153 0.000 0.817 610 N CB 1.364 39.694 38.487 -0.261 0.000 1.294 610 N HN 0.815 nan 8.380 nan 0.000 0.497 611 Y N -0.770 119.491 120.300 -0.065 0.000 2.316 611 Y HA 0.485 5.034 4.550 -0.001 0.000 0.324 611 Y C 0.467 176.325 175.900 -0.070 0.000 1.267 611 Y CA -1.079 56.994 58.100 -0.045 0.000 1.311 611 Y CB 0.531 38.989 38.460 -0.002 0.000 1.267 611 Y HN 0.174 nan 8.280 nan 0.000 0.516 612 M N 4.116 123.756 119.600 0.066 0.000 2.227 612 M HA 0.108 4.587 4.480 -0.001 0.000 0.349 612 M C -1.642 174.644 176.300 -0.024 0.000 1.443 612 M CA -2.270 52.975 55.300 -0.092 0.000 1.110 612 M CB 0.673 33.214 32.600 -0.098 0.000 1.773 612 M HN 0.633 nan 8.290 nan 0.000 0.463 613 P HA -0.111 nan 4.420 nan 0.000 0.227 613 P C 1.103 178.054 177.300 -0.583 0.000 1.161 613 P CA 0.871 63.662 63.100 -0.516 0.000 0.788 613 P CB 0.249 31.174 31.700 -1.292 0.000 0.822 614 Q N 1.535 121.108 119.800 -0.378 0.000 2.112 614 Q HA -0.185 4.155 4.340 -0.001 0.000 0.206 614 Q C 2.366 178.285 176.000 -0.136 0.000 0.987 614 Q CA 2.295 58.021 55.803 -0.129 0.000 0.858 614 Q CB -1.102 27.613 28.738 -0.039 0.000 0.905 614 Q HN 0.317 nan 8.270 nan 0.000 0.420 615 M N -2.162 117.274 119.600 -0.274 0.000 2.279 615 M HA -0.062 4.417 4.480 -0.001 0.000 0.264 615 M C 1.215 177.254 176.300 -0.436 0.000 1.062 615 M CA 1.576 56.646 55.300 -0.384 0.000 1.099 615 M CB -0.466 31.844 32.600 -0.483 0.000 1.394 615 M HN 0.122 nan 8.290 nan 0.000 0.426 616 F N -0.437 119.453 119.950 -0.100 0.000 2.219 616 F HA 0.009 4.535 4.527 -0.001 0.000 0.294 616 F C 2.034 177.844 175.800 0.016 0.000 1.086 616 F CA 0.509 58.446 58.000 -0.105 0.000 1.330 616 F CB -0.652 38.275 39.000 -0.122 0.000 1.047 616 F HN 0.154 nan 8.300 nan 0.000 0.495 617 W N 1.137 122.506 121.300 0.115 0.000 2.342 617 W HA -0.156 4.504 4.660 -0.001 0.000 0.297 617 W C 1.960 178.537 176.519 0.097 0.000 1.213 617 W CA 0.856 58.183 57.345 -0.030 0.000 1.251 617 W CB -1.495 27.645 29.460 -0.532 0.000 1.136 617 W HN 0.067 nan 8.180 nan 0.000 0.526 618 N N 0.288 119.119 118.700 0.218 0.000 2.272 618 N HA -0.119 4.621 4.740 -0.001 0.000 0.185 618 N C 1.631 177.254 175.510 0.188 0.000 1.014 618 N CA 1.801 54.948 53.050 0.162 0.000 0.870 618 N CB -0.685 37.792 38.487 -0.016 0.000 0.975 618 N HN 0.043 nan 8.380 nan 0.000 0.433 619 A N -0.658 122.220 122.820 0.098 0.000 2.275 619 A HA 0.472 4.792 4.320 -0.001 0.000 0.212 619 A C 1.435 179.060 177.584 0.068 0.000 1.201 619 A CA 0.609 52.643 52.037 -0.004 0.000 0.843 619 A CB -0.265 18.545 19.000 -0.317 0.000 0.873 619 A HN 0.282 nan 8.150 nan 0.000 0.492 620 G N -1.557 107.408 108.800 0.276 0.000 2.159 620 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.256 620 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.256 620 G C 0.285 175.409 174.900 0.373 0.000 0.977 620 G CA 0.007 45.303 45.100 0.327 0.000 0.652 620 G HN 0.631 nan 8.290 nan 0.000 0.531 621 C N 0.723 120.243 119.300 0.367 0.000 2.634 621 C HA 0.406 4.866 4.460 -0.001 0.000 0.418 621 C C 1.851 177.216 174.990 0.624 0.000 1.373 621 C CA 0.517 59.779 59.018 0.406 0.000 1.756 621 C CB 0.846 28.766 27.740 0.300 0.000 2.589 621 C HN 0.684 nan 8.230 nan 0.000 0.602 622 Q N 1.551 121.660 119.800 0.516 0.000 2.226 622 Q HA 0.202 4.541 4.340 -0.001 0.000 0.199 622 Q C 0.359 176.668 176.000 0.515 0.000 0.945 622 Q CA 0.990 57.109 55.803 0.527 0.000 0.861 622 Q CB 0.073 29.029 28.738 0.363 0.000 0.953 622 Q HN 0.750 nan 8.270 nan 0.000 0.490 623 M N 1.295 121.135 119.600 0.400 0.000 2.268 623 M HA 0.277 4.756 4.480 -0.001 0.000 0.340 623 M C -1.232 175.251 176.300 0.305 0.000 1.099 623 M CA -0.352 55.140 55.300 0.320 0.000 1.053 623 M CB 1.434 34.175 32.600 0.235 0.000 1.284 623 M HN -0.193 nan 8.290 nan 0.000 0.410 624 V N 2.659 122.786 119.914 0.355 0.000 2.284 624 V HA 0.417 4.537 4.120 -0.001 0.000 0.260 624 V C 0.535 176.756 176.094 0.211 0.000 1.084 624 V CA -0.616 61.816 62.300 0.220 0.000 0.894 624 V CB 0.372 32.206 31.823 0.018 0.000 1.119 624 V HN 0.780 nan 8.190 nan 0.000 0.484 625 A N 6.964 129.925 122.820 0.235 0.000 2.362 625 A HA 0.782 5.102 4.320 -0.001 0.000 0.276 625 A C -0.402 177.283 177.584 0.168 0.000 1.153 625 A CA -0.161 52.016 52.037 0.233 0.000 0.813 625 A CB 0.257 19.419 19.000 0.271 0.000 1.081 625 A HN 0.773 nan 8.150 nan 0.000 0.507 626 L N 2.015 123.336 121.223 0.163 0.000 2.333 626 L HA 0.403 4.743 4.340 -0.001 0.000 0.263 626 L C -0.293 176.706 176.870 0.214 0.000 1.014 626 L CA -1.168 53.692 54.840 0.033 0.000 0.820 626 L CB 1.673 43.657 42.059 -0.125 0.000 1.352 626 L HN 0.589 nan 8.230 nan 0.000 0.421 627 N N 1.195 119.964 118.700 0.116 0.000 2.399 627 N HA 0.097 4.836 4.740 -0.001 0.000 0.259 627 N C 0.413 176.000 175.510 0.129 0.000 1.160 627 N CA 0.024 53.158 53.050 0.140 0.000 0.946 627 N CB 0.709 39.248 38.487 0.085 0.000 1.156 627 N HN 0.463 nan 8.380 nan 0.000 0.489 628 F N 1.436 121.341 119.950 -0.075 0.000 2.451 628 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 628 F C 2.453 178.208 175.800 -0.074 0.000 1.101 628 F CA 0.774 58.730 58.000 -0.073 0.000 1.436 628 F CB 0.044 38.995 39.000 -0.082 0.000 1.074 628 F HN 0.511 nan 8.300 nan 0.000 0.553 629 Q N -0.284 119.562 119.800 0.076 0.000 2.472 629 Q HA -0.019 4.320 4.340 -0.001 0.000 0.208 629 Q C -0.261 175.726 176.000 -0.021 0.000 0.958 629 Q CA 0.858 56.667 55.803 0.011 0.000 0.932 629 Q CB -0.776 27.954 28.738 -0.014 0.000 1.007 629 Q HN 0.195 nan 8.270 nan 0.000 0.508 630 T N 2.703 117.234 114.554 -0.040 0.000 2.893 630 T HA 0.372 4.721 4.350 -0.001 0.000 0.324 630 T C 0.041 174.672 174.700 -0.115 0.000 1.082 630 T CA -0.479 61.581 62.100 -0.066 0.000 0.983 630 T CB 0.650 69.487 68.868 -0.051 0.000 1.005 630 T HN 0.106 nan 8.240 nan 0.000 0.475 631 M N 4.194 123.717 119.600 -0.128 0.000 3.607 631 M HA 0.153 4.632 4.480 -0.001 0.000 0.206 631 M C 0.308 176.488 176.300 -0.199 0.000 1.314 631 M CA -0.511 54.685 55.300 -0.174 0.000 1.526 631 M CB -1.505 30.991 32.600 -0.175 0.000 1.101 631 M HN 0.584 nan 8.290 nan 0.000 0.539 632 D N -0.626 119.674 120.400 -0.167 0.000 2.447 632 D HA 0.061 4.701 4.640 -0.001 0.000 0.265 632 D C 1.164 177.367 176.300 -0.161 0.000 1.250 632 D CA -0.674 53.233 54.000 -0.154 0.000 1.046 632 D CB 0.847 41.581 40.800 -0.111 0.000 1.095 632 D HN 0.108 nan 8.370 nan 0.000 0.555 633 L N 0.091 121.240 121.223 -0.123 0.000 2.013 633 L HA -0.078 4.262 4.340 -0.001 0.000 0.212 633 L C -1.030 175.751 176.870 -0.148 0.000 1.073 633 L CA 2.077 56.858 54.840 -0.099 0.000 0.753 633 L CB -1.765 40.279 42.059 -0.026 0.000 0.890 633 L HN 0.360 nan 8.230 nan 0.000 0.432 634 P HA -0.195 nan 4.420 nan 0.000 0.216 634 P C 1.984 179.161 177.300 -0.205 0.000 1.153 634 P CA 1.618 64.569 63.100 -0.248 0.000 0.858 634 P CB -0.130 31.390 31.700 -0.299 0.000 0.789 635 M N -1.268 118.209 119.600 -0.206 0.000 2.254 635 M HA -0.094 4.385 4.480 -0.001 0.000 0.265 635 M C 2.040 178.257 176.300 -0.139 0.000 1.066 635 M CA 1.618 56.783 55.300 -0.224 0.000 1.123 635 M CB -1.313 31.116 32.600 -0.286 0.000 1.388 635 M HN 0.059 nan 8.290 nan 0.000 0.425 636 Q N -0.386 119.348 119.800 -0.109 0.000 2.096 636 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 636 Q C 2.081 178.160 176.000 0.132 0.000 0.982 636 Q CA 1.634 57.429 55.803 -0.013 0.000 0.850 636 Q CB -0.226 28.434 28.738 -0.130 0.000 0.901 636 Q HN 0.577 nan 8.270 nan 0.000 0.422 637 Q N 0.643 120.480 119.800 0.062 0.000 2.046 637 Q HA -0.213 4.126 4.340 -0.001 0.000 0.200 637 Q C 1.780 177.882 176.000 0.169 0.000 0.975 637 Q CA 1.510 57.373 55.803 0.099 0.000 0.836 637 Q CB -0.003 28.675 28.738 -0.100 0.000 0.896 637 Q HN 0.273 nan 8.270 nan 0.000 0.428 638 N N -0.543 118.261 118.700 0.173 0.000 2.069 638 N HA -0.171 4.569 4.740 -0.001 0.000 0.191 638 N C 1.766 177.449 175.510 0.289 0.000 1.031 638 N CA 1.866 55.112 53.050 0.327 0.000 0.852 638 N CB -0.009 38.592 38.487 0.190 0.000 1.018 638 N HN 0.213 nan 8.380 nan 0.000 0.423 639 M N 0.176 119.850 119.600 0.124 0.000 2.117 639 M HA -0.053 4.426 4.480 -0.001 0.000 0.262 639 M C 2.212 178.633 176.300 0.201 0.000 1.065 639 M CA 1.400 56.779 55.300 0.133 0.000 1.114 639 M CB -1.462 31.173 32.600 0.058 0.000 1.361 639 M HN 0.315 nan 8.290 nan 0.000 0.408 640 A N 0.409 123.354 122.820 0.209 0.000 1.873 640 A HA -0.084 4.235 4.320 -0.001 0.000 0.215 640 A C 2.273 180.014 177.584 0.263 0.000 1.186 640 A CA 2.226 54.402 52.037 0.230 0.000 0.616 640 A CB -1.112 18.024 19.000 0.226 0.000 0.823 640 A HN 0.407 nan 8.150 nan 0.000 0.442 641 V N -4.537 115.461 119.914 0.141 0.000 2.548 641 V HA -0.033 4.086 4.120 -0.001 0.000 0.249 641 V C 2.008 178.076 176.094 -0.044 0.000 1.055 641 V CA 1.536 63.820 62.300 -0.027 0.000 1.065 641 V CB -1.099 30.505 31.823 -0.366 0.000 0.681 641 V HN 0.306 nan 8.190 nan 0.000 0.462 642 F N 1.038 121.055 119.950 0.111 0.000 2.811 642 F HA 0.260 4.786 4.527 -0.001 0.000 0.301 642 F C 2.297 178.156 175.800 0.099 0.000 1.151 642 F CA 0.867 58.923 58.000 0.094 0.000 1.412 642 F CB -0.284 38.765 39.000 0.081 0.000 1.113 642 F HN 0.255 nan 8.300 nan 0.000 0.579 643 E N 0.115 120.452 120.200 0.229 0.000 2.150 643 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 643 E C 0.517 177.064 176.600 -0.088 0.000 0.985 643 E CA 0.395 56.813 56.400 0.029 0.000 0.814 643 E CB 0.102 29.739 29.700 -0.106 0.000 0.752 643 E HN 0.210 nan 8.360 nan 0.000 0.466 644 F N 0.683 120.662 119.950 0.047 0.000 2.399 644 F HA 0.080 4.607 4.527 -0.001 0.000 0.313 644 F C 1.267 177.057 175.800 -0.016 0.000 1.202 644 F CA 0.129 58.151 58.000 0.037 0.000 1.192 644 F CB 0.181 39.204 39.000 0.037 0.000 1.256 644 F HN -0.058 nan 8.300 nan 0.000 0.558 645 N N 0.842 119.643 118.700 0.168 0.000 2.727 645 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 645 N C 0.477 175.991 175.510 0.007 0.000 1.048 645 N CA 0.987 53.981 53.050 -0.093 0.000 0.714 645 N CB -1.130 36.960 38.487 -0.662 0.000 0.959 645 N HN 1.132 nan 8.380 nan 0.000 0.544 646 G N -0.116 108.717 108.800 0.054 0.000 2.153 646 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.252 646 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.252 646 G C 0.106 175.034 174.900 0.048 0.000 0.994 646 G CA 0.978 46.098 45.100 0.034 0.000 0.698 646 G HN 0.981 nan 8.290 nan 0.000 0.521 647 Q N -1.137 118.702 119.800 0.066 0.000 2.457 647 Q HA -0.310 4.029 4.340 -0.001 0.000 0.283 647 Q C 1.804 177.890 176.000 0.143 0.000 1.234 647 Q CA 1.434 57.303 55.803 0.110 0.000 0.877 647 Q CB -1.424 27.359 28.738 0.074 0.000 1.250 647 Q HN 1.559 nan 8.270 nan 0.000 0.481 648 S N -2.397 113.406 115.700 0.171 0.000 2.453 648 S HA 0.138 4.608 4.470 -0.001 0.000 0.231 648 S C 1.488 176.261 174.600 0.288 0.000 1.005 648 S CA 1.022 59.376 58.200 0.256 0.000 0.949 648 S CB 0.515 63.853 63.200 0.230 0.000 0.774 648 S HN 1.217 nan 8.310 nan 0.000 0.510 649 G N -0.484 108.445 108.800 0.215 0.000 2.176 649 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.253 649 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.253 649 G C -0.233 174.627 174.900 -0.066 0.000 0.979 649 G CA 0.272 45.379 45.100 0.012 0.000 0.641 649 G HN 0.565 nan 8.290 nan 0.000 0.530 650 Y N -0.560 119.841 120.300 0.168 0.000 2.391 650 Y HA 0.723 5.273 4.550 -0.001 0.000 0.341 650 Y C 0.314 176.339 175.900 0.208 0.000 0.965 650 Y CA -0.973 57.223 58.100 0.160 0.000 1.067 650 Y CB 1.851 40.184 38.460 -0.212 0.000 1.199 650 Y HN 0.112 nan 8.280 nan 0.000 0.450 651 L N 4.754 126.263 121.223 0.477 0.000 2.406 651 L HA 0.396 4.736 4.340 -0.001 0.000 0.272 651 L C -0.974 176.132 176.870 0.392 0.000 0.980 651 L CA -1.032 54.026 54.840 0.363 0.000 0.831 651 L CB 1.807 43.957 42.059 0.151 0.000 1.253 651 L HN 0.451 nan 8.230 nan 0.000 0.406 652 L N 4.327 125.802 121.223 0.420 0.000 2.499 652 L HA 0.126 4.465 4.340 -0.001 0.000 0.273 652 L C 0.358 177.031 176.870 -0.328 0.000 1.195 652 L CA 0.557 55.271 54.840 -0.211 0.000 0.882 652 L CB 0.123 42.014 42.059 -0.279 0.000 1.133 652 L HN 0.462 nan 8.230 nan 0.000 0.483 653 K N 3.264 123.328 120.400 -0.560 0.000 2.180 653 K HA 0.055 4.375 4.320 -0.001 0.000 0.251 653 K C -0.254 176.135 176.600 -0.352 0.000 1.014 653 K CA -0.464 55.474 56.287 -0.582 0.000 0.913 653 K CB 0.274 32.337 32.500 -0.728 0.000 1.008 653 K HN 0.679 nan 8.250 nan 0.000 0.490 654 H N 1.201 120.082 119.070 -0.314 0.000 3.038 654 H HA -0.121 4.434 4.556 -0.001 0.000 0.338 654 H C 1.322 176.422 175.328 -0.380 0.000 1.041 654 H CA 0.880 56.718 56.048 -0.350 0.000 1.394 654 H CB 0.701 30.238 29.762 -0.376 0.000 1.357 654 H HN 0.705 nan 8.280 nan 0.000 0.600 655 E N 3.731 123.539 120.200 -0.653 0.000 2.114 655 E HA -0.264 4.086 4.350 -0.001 0.000 0.199 655 E C 1.084 177.677 176.600 -0.012 0.000 1.008 655 E CA 1.711 57.879 56.400 -0.386 0.000 0.810 655 E CB -0.126 29.245 29.700 -0.548 0.000 0.739 655 E HN 0.804 nan 8.360 nan 0.000 0.456 656 F N -0.631 119.374 119.950 0.091 0.000 2.748 656 F HA 0.033 4.560 4.527 -0.001 0.000 0.299 656 F C 2.009 177.741 175.800 -0.115 0.000 1.154 656 F CA -0.237 57.735 58.000 -0.047 0.000 1.446 656 F CB 0.111 39.021 39.000 -0.150 0.000 1.112 656 F HN 0.028 nan 8.300 nan 0.000 0.584 657 M N -0.687 118.911 119.600 -0.002 0.000 2.495 657 M HA 0.078 4.557 4.480 -0.001 0.000 0.237 657 M C 1.381 177.568 176.300 -0.189 0.000 1.131 657 M CA 0.703 55.978 55.300 -0.042 0.000 1.032 657 M CB 0.214 32.769 32.600 -0.075 0.000 1.513 657 M HN 0.069 nan 8.290 nan 0.000 0.488 658 R N 0.213 120.562 120.500 -0.251 0.000 2.342 658 R HA 0.197 4.537 4.340 -0.001 0.000 0.179 658 R C 0.612 176.752 176.300 -0.266 0.000 0.989 658 R CA -0.164 55.592 56.100 -0.574 0.000 1.125 658 R CB 0.256 30.177 30.300 -0.632 0.000 1.211 658 R HN 0.291 nan 8.270 nan 0.000 0.568 659 R N 4.130 124.585 120.500 -0.076 0.000 2.537 659 R HA 0.132 4.471 4.340 -0.001 0.000 0.280 659 R C -2.034 174.288 176.300 0.036 0.000 1.058 659 R CA -1.078 55.032 56.100 0.018 0.000 1.057 659 R CB 0.306 30.643 30.300 0.062 0.000 0.973 659 R HN -0.007 nan 8.270 nan 0.000 0.438 660 P HA -0.104 nan 4.420 nan 0.000 0.231 660 P C -0.117 177.201 177.300 0.029 0.000 1.168 660 P CA 0.873 64.001 63.100 0.047 0.000 0.779 660 P CB 0.131 31.866 31.700 0.057 0.000 0.844 661 D N -1.496 118.914 120.400 0.017 0.000 2.340 661 D HA 0.035 4.675 4.640 -0.001 0.000 0.217 661 D C 0.441 176.713 176.300 -0.046 0.000 1.081 661 D CA 0.075 54.072 54.000 -0.005 0.000 0.842 661 D CB 0.119 40.919 40.800 0.001 0.000 0.934 661 D HN -0.017 nan 8.370 nan 0.000 0.511 662 K N 1.384 121.745 120.400 -0.065 0.000 2.604 662 K HA 0.187 4.507 4.320 -0.001 0.000 0.247 662 K C -0.784 175.763 176.600 -0.088 0.000 0.956 662 K CA -0.284 55.898 56.287 -0.176 0.000 0.896 662 K CB 1.566 33.802 32.500 -0.441 0.000 1.131 662 K HN 0.041 nan 8.250 nan 0.000 0.440 663 Q N 2.721 122.490 119.800 -0.053 0.000 2.304 663 Q HA 0.194 4.533 4.340 -0.001 0.000 0.260 663 Q C -0.825 175.222 176.000 0.079 0.000 0.965 663 Q CA -0.032 55.783 55.803 0.021 0.000 0.898 663 Q CB 0.787 29.527 28.738 0.004 0.000 1.196 663 Q HN 0.378 nan 8.270 nan 0.000 0.402 664 F N 3.506 123.440 119.950 -0.026 0.000 2.529 664 F HA 0.407 4.934 4.527 -0.001 0.000 0.320 664 F C -1.007 174.807 175.800 0.023 0.000 1.118 664 F CA -0.993 57.008 58.000 0.001 0.000 0.915 664 F CB 1.393 40.428 39.000 0.059 0.000 1.161 664 F HN 0.374 nan 8.300 nan 0.000 0.445 665 N N 7.625 125.822 118.700 -0.837 0.000 2.491 665 N HA 0.403 5.143 4.740 -0.001 0.000 0.274 665 N C -2.274 172.640 175.510 -0.993 0.000 1.023 665 N CA -2.568 50.080 53.050 -0.670 0.000 0.902 665 N CB 2.349 40.680 38.487 -0.260 0.000 1.267 665 N HN 0.292 nan 8.380 nan 0.000 0.503 666 P HA -0.058 nan 4.420 nan 0.000 0.222 666 P C 0.802 177.849 177.300 -0.422 0.000 1.147 666 P CA 0.983 63.720 63.100 -0.604 0.000 0.790 666 P CB 0.062 31.578 31.700 -0.307 0.000 0.780 667 F N -0.469 119.336 119.950 -0.242 0.000 2.743 667 F HA 0.146 4.673 4.527 -0.001 0.000 0.297 667 F C 1.363 177.086 175.800 -0.129 0.000 1.131 667 F CA 0.566 58.479 58.000 -0.146 0.000 1.426 667 F CB 0.189 39.113 39.000 -0.127 0.000 1.116 667 F HN -0.137 nan 8.300 nan 0.000 0.583 668 S N 0.971 116.650 115.700 -0.034 0.000 2.386 668 S HA 0.349 4.818 4.470 -0.001 0.000 0.152 668 S C -0.546 174.013 174.600 -0.069 0.000 1.511 668 S CA -0.747 57.433 58.200 -0.033 0.000 1.246 668 S CB -0.483 62.704 63.200 -0.022 0.000 1.338 668 S HN 0.010 nan 8.310 nan 0.000 0.409 669 V N 1.819 121.714 119.914 -0.032 0.000 2.963 669 V HA 0.664 4.784 4.120 -0.001 0.000 0.306 669 V C 0.101 176.218 176.094 0.038 0.000 1.077 669 V CA -0.259 62.061 62.300 0.034 0.000 1.124 669 V CB 0.615 32.489 31.823 0.085 0.000 0.987 669 V HN 0.756 nan 8.190 nan 0.000 0.487 670 D N 2.577 123.016 120.400 0.065 0.000 2.621 670 D HA 0.415 5.054 4.640 -0.001 0.000 0.255 670 D C 0.940 177.276 176.300 0.060 0.000 1.122 670 D CA -0.936 53.090 54.000 0.044 0.000 1.096 670 D CB 0.937 41.750 40.800 0.021 0.000 1.282 670 D HN 0.358 nan 8.370 nan 0.000 0.619 671 R N -0.579 119.946 120.500 0.042 0.000 2.105 671 R HA -0.047 4.293 4.340 -0.001 0.000 0.239 671 R C 2.011 178.353 176.300 0.070 0.000 1.135 671 R CA 1.312 57.440 56.100 0.046 0.000 0.967 671 R CB -0.634 29.684 30.300 0.030 0.000 0.861 671 R HN 0.523 nan 8.270 nan 0.000 0.442 672 I N 0.811 121.423 120.570 0.070 0.000 2.315 672 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 672 I C 1.581 177.849 176.117 0.251 0.000 1.117 672 I CA 1.081 62.447 61.300 0.110 0.000 1.404 672 I CB -0.290 37.715 38.000 0.009 0.000 1.071 672 I HN 0.048 nan 8.210 nan 0.000 0.419 673 D N 0.672 121.219 120.400 0.245 0.000 2.144 673 D HA -0.118 4.521 4.640 -0.001 0.000 0.199 673 D C 1.993 178.411 176.300 0.197 0.000 0.984 673 D CA 1.537 55.740 54.000 0.339 0.000 0.834 673 D CB -0.104 40.886 40.800 0.317 0.000 0.955 673 D HN 0.368 nan 8.370 nan 0.000 0.465 674 V N -1.541 118.454 119.914 0.134 0.000 3.421 674 V HA 0.119 4.238 4.120 -0.001 0.000 0.316 674 V C 1.919 178.051 176.094 0.063 0.000 1.347 674 V CA -0.044 62.305 62.300 0.080 0.000 1.183 674 V CB -0.112 31.748 31.823 0.062 0.000 1.092 674 V HN -0.135 nan 8.190 nan 0.000 0.433 675 V N 1.388 121.350 119.914 0.080 0.000 2.380 675 V HA -0.187 3.933 4.120 -0.001 0.000 0.251 675 V C 2.123 178.233 176.094 0.027 0.000 1.063 675 V CA 2.501 64.835 62.300 0.057 0.000 1.055 675 V CB -0.112 31.756 31.823 0.074 0.000 0.657 675 V HN 0.791 nan 8.190 nan 0.000 0.455 676 V N -2.240 117.684 119.914 0.016 0.000 3.043 676 V HA 0.701 4.820 4.120 -0.001 0.000 0.357 676 V C 0.666 176.756 176.094 -0.007 0.000 1.372 676 V CA -0.433 61.863 62.300 -0.006 0.000 1.214 676 V CB -0.474 31.333 31.823 -0.028 0.000 1.224 676 V HN 0.255 nan 8.190 nan 0.000 0.507 677 A N 0.541 123.364 122.820 0.005 0.000 2.520 677 A HA 0.534 4.853 4.320 -0.001 0.000 0.235 677 A C 0.418 178.001 177.584 -0.003 0.000 1.065 677 A CA 1.145 53.184 52.037 0.004 0.000 0.764 677 A CB 0.336 19.346 19.000 0.016 0.000 1.002 677 A HN 0.721 nan 8.150 nan 0.000 0.502 678 T N 0.051 114.603 114.554 -0.004 0.000 2.883 678 T HA 0.603 4.953 4.350 -0.001 0.000 0.301 678 T C -0.681 174.023 174.700 0.007 0.000 1.158 678 T CA -0.299 61.796 62.100 -0.008 0.000 1.007 678 T CB 1.399 70.251 68.868 -0.027 0.000 1.186 678 T HN 0.653 nan 8.240 nan 0.000 0.499 679 T N 3.450 118.008 114.554 0.007 0.000 2.770 679 T HA 0.597 4.947 4.350 -0.001 0.000 0.283 679 T C -0.919 173.793 174.700 0.020 0.000 0.988 679 T CA -0.434 61.683 62.100 0.028 0.000 0.957 679 T CB 0.828 69.709 68.868 0.021 0.000 0.930 679 T HN 0.457 nan 8.240 nan 0.000 0.443 680 L N 3.460 124.721 121.223 0.064 0.000 2.307 680 L HA 0.714 5.054 4.340 -0.001 0.000 0.284 680 L C -0.450 176.478 176.870 0.097 0.000 1.023 680 L CA 0.047 54.916 54.840 0.049 0.000 0.810 680 L CB 1.624 43.700 42.059 0.028 0.000 1.231 680 L HN 0.509 nan 8.230 nan 0.000 0.423 681 S N 6.146 121.848 115.700 0.003 0.000 2.473 681 S HA 0.641 5.111 4.470 -0.001 0.000 0.307 681 S C -0.730 173.829 174.600 -0.070 0.000 1.094 681 S CA -0.431 57.758 58.200 -0.019 0.000 1.070 681 S CB 1.216 64.389 63.200 -0.046 0.000 1.019 681 S HN 0.664 nan 8.310 nan 0.000 0.480 682 I N 2.930 123.475 120.570 -0.042 0.000 2.447 682 I HA 0.420 4.589 4.170 -0.001 0.000 0.287 682 I C -0.993 174.992 176.117 -0.220 0.000 1.023 682 I CA -0.191 61.048 61.300 -0.101 0.000 1.083 682 I CB 1.522 39.514 38.000 -0.015 0.000 1.245 682 I HN 0.469 nan 8.210 nan 0.000 0.434 683 T N 6.764 121.191 114.554 -0.213 0.000 2.749 683 T HA 0.330 4.679 4.350 -0.001 0.000 0.287 683 T C -0.240 174.297 174.700 -0.270 0.000 0.970 683 T CA -0.360 61.561 62.100 -0.299 0.000 0.980 683 T CB 1.401 70.179 68.868 -0.150 0.000 0.924 683 T HN 0.290 nan 8.240 nan 0.000 0.456 684 V N 5.820 125.507 119.914 -0.379 0.000 2.372 684 V HA 0.218 4.337 4.120 -0.001 0.000 0.261 684 V C 1.036 177.106 176.094 -0.040 0.000 1.055 684 V CA -0.013 62.161 62.300 -0.210 0.000 0.930 684 V CB -0.065 31.587 31.823 -0.285 0.000 1.031 684 V HN 0.869 nan 8.190 nan 0.000 0.479 685 I N 3.070 123.685 120.570 0.074 0.000 2.499 685 I HA 0.099 4.268 4.170 -0.001 0.000 0.243 685 I C 1.035 177.382 176.117 0.383 0.000 1.085 685 I CA 0.791 62.206 61.300 0.191 0.000 1.422 685 I CB 0.284 38.380 38.000 0.159 0.000 1.165 685 I HN 0.749 nan 8.210 nan 0.000 0.440 686 S N -0.675 115.288 115.700 0.439 0.000 2.615 686 S HA 0.763 5.232 4.470 -0.001 0.000 0.269 686 S C -0.617 174.225 174.600 0.404 0.000 1.161 686 S CA -0.479 57.926 58.200 0.343 0.000 0.817 686 S CB 1.719 65.014 63.200 0.159 0.000 1.131 686 S HN 0.239 nan 8.310 nan 0.000 0.467 687 G N -0.310 108.597 108.800 0.179 0.000 2.619 687 G HA2 0.650 4.610 3.960 -0.001 0.000 0.296 687 G HA3 0.650 4.610 3.960 -0.001 0.000 0.296 687 G C -2.093 172.821 174.900 0.023 0.000 1.334 687 G CA -0.769 44.453 45.100 0.205 0.000 0.934 687 G HN 0.610 nan 8.290 nan 0.000 0.476 688 Q N -0.268 119.571 119.800 0.064 0.000 2.323 688 Q HA 0.559 4.899 4.340 -0.001 0.000 0.271 688 Q C -0.674 175.374 176.000 0.080 0.000 1.048 688 Q CA -0.772 54.989 55.803 -0.069 0.000 0.792 688 Q CB 2.132 30.875 28.738 0.007 0.000 1.280 688 Q HN 0.580 nan 8.270 nan 0.000 0.441 689 F N 1.118 121.132 119.950 0.107 0.000 2.943 689 F HA -0.303 4.224 4.527 -0.001 0.000 0.258 689 F C 0.300 176.162 175.800 0.104 0.000 0.995 689 F CA 0.049 58.129 58.000 0.134 0.000 0.896 689 F CB -1.256 37.864 39.000 0.200 0.000 0.821 689 F HN 0.611 nan 8.300 nan 0.000 0.828 690 L N -1.345 119.985 121.223 0.178 0.000 2.156 690 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 690 L C 1.409 178.348 176.870 0.115 0.000 1.095 690 L CA 1.442 56.363 54.840 0.135 0.000 0.770 690 L CB -0.064 42.063 42.059 0.114 0.000 0.914 690 L HN 0.404 nan 8.230 nan 0.000 0.439 691 S N -1.177 114.600 115.700 0.129 0.000 2.595 691 S HA 0.170 4.639 4.470 -0.001 0.000 0.281 691 S C 0.496 175.176 174.600 0.133 0.000 1.117 691 S CA -0.716 57.549 58.200 0.110 0.000 0.873 691 S CB 1.692 64.944 63.200 0.086 0.000 1.108 691 S HN 0.373 nan 8.310 nan 0.000 0.477 692 E N 1.861 122.127 120.200 0.110 0.000 2.482 692 E HA 0.047 4.397 4.350 -0.001 0.000 0.196 692 E C 0.660 177.323 176.600 0.106 0.000 1.047 692 E CA 0.155 56.620 56.400 0.109 0.000 0.869 692 E CB 0.051 29.799 29.700 0.081 0.000 0.836 692 E HN 0.479 nan 8.360 nan 0.000 0.520 693 R N 0.053 120.609 120.500 0.095 0.000 2.888 693 R HA 0.411 4.750 4.340 -0.001 0.000 0.264 693 R C -1.079 175.266 176.300 0.074 0.000 1.045 693 R CA -0.921 55.228 56.100 0.080 0.000 0.962 693 R CB 0.908 31.246 30.300 0.065 0.000 1.210 693 R HN -0.127 nan 8.270 nan 0.000 0.479 694 S N 0.510 116.245 115.700 0.059 0.000 2.430 694 S HA 0.340 4.810 4.470 -0.001 0.000 0.282 694 S C -0.378 174.248 174.600 0.043 0.000 1.186 694 S CA -0.510 57.717 58.200 0.044 0.000 1.060 694 S CB 0.265 63.483 63.200 0.029 0.000 0.966 694 S HN 0.402 nan 8.310 nan 0.000 0.501 695 V N 4.713 124.655 119.914 0.047 0.000 3.120 695 V HA 0.472 4.591 4.120 -0.001 0.000 0.303 695 V C -0.955 175.179 176.094 0.067 0.000 1.238 695 V CA -1.193 61.141 62.300 0.058 0.000 1.008 695 V CB 2.107 33.970 31.823 0.068 0.000 1.064 695 V HN 0.844 nan 8.190 nan 0.000 0.434 696 R N 2.459 123.008 120.500 0.083 0.000 2.643 696 R HA 0.554 4.894 4.340 -0.001 0.000 0.270 696 R C -0.192 176.216 176.300 0.180 0.000 1.061 696 R CA 0.384 56.553 56.100 0.116 0.000 1.107 696 R CB 0.861 31.235 30.300 0.123 0.000 0.999 696 R HN 0.907 nan 8.270 nan 0.000 0.460 697 T N -0.712 113.994 114.554 0.253 0.000 2.901 697 T HA 0.625 4.974 4.350 -0.001 0.000 0.293 697 T C -0.976 174.065 174.700 0.569 0.000 1.084 697 T CA -0.954 61.339 62.100 0.322 0.000 1.008 697 T CB 1.437 70.475 68.868 0.283 0.000 1.170 697 T HN 0.679 nan 8.240 nan 0.000 0.509 698 Y N -1.428 119.034 120.300 0.269 0.000 2.655 698 Y HA 0.808 5.358 4.550 -0.001 0.000 0.336 698 Y C -1.999 173.827 175.900 -0.122 0.000 1.154 698 Y CA -1.628 56.523 58.100 0.085 0.000 1.055 698 Y CB 0.875 39.369 38.460 0.057 0.000 1.295 698 Y HN 0.565 nan 8.280 nan 0.000 0.465 699 V N 1.534 121.311 119.914 -0.228 0.000 2.540 699 V HA 0.433 4.553 4.120 -0.001 0.000 0.302 699 V C -0.823 175.286 176.094 0.024 0.000 1.035 699 V CA -0.782 61.375 62.300 -0.238 0.000 0.873 699 V CB 1.532 33.130 31.823 -0.374 0.000 0.992 699 V HN 0.836 nan 8.190 nan 0.000 0.428 700 E N 3.061 123.272 120.200 0.019 0.000 2.179 700 E HA 0.723 5.072 4.350 -0.001 0.000 0.275 700 E C -1.720 174.911 176.600 0.053 0.000 0.945 700 E CA -0.470 55.980 56.400 0.082 0.000 0.792 700 E CB 2.017 31.790 29.700 0.122 0.000 1.125 700 E HN 0.495 nan 8.360 nan 0.000 0.397 701 V N 4.555 124.505 119.914 0.059 0.000 2.638 701 V HA 0.432 4.552 4.120 -0.001 0.000 0.306 701 V C -0.619 175.578 176.094 0.171 0.000 1.052 701 V CA -0.647 61.725 62.300 0.120 0.000 0.885 701 V CB 1.524 33.514 31.823 0.278 0.000 0.999 701 V HN 0.854 nan 8.190 nan 0.000 0.424 702 E N 4.247 124.449 120.200 0.004 0.000 2.445 702 E HA 0.776 5.125 4.350 -0.001 0.000 0.279 702 E C -1.952 174.355 176.600 -0.488 0.000 1.018 702 E CA -1.084 55.270 56.400 -0.076 0.000 0.816 702 E CB 2.706 32.306 29.700 -0.167 0.000 1.356 702 E HN 0.420 nan 8.360 nan 0.000 0.462 703 L N 1.320 122.257 121.223 -0.476 0.000 2.362 703 L HA 0.570 4.910 4.340 -0.001 0.000 0.275 703 L C -1.750 174.848 176.870 -0.453 0.000 0.998 703 L CA -0.378 54.116 54.840 -0.577 0.000 0.820 703 L CB 1.181 42.939 42.059 -0.501 0.000 1.270 703 L HN 0.602 nan 8.230 nan 0.000 0.415 704 F N 4.012 123.911 119.950 -0.085 0.000 2.421 704 F HA 0.814 5.340 4.527 -0.001 0.000 0.337 704 F C 0.984 176.752 175.800 -0.052 0.000 1.105 704 F CA 0.236 58.211 58.000 -0.042 0.000 1.049 704 F CB 1.750 40.745 39.000 -0.008 0.000 1.139 704 F HN 0.659 nan 8.300 nan 0.000 0.479 705 G N 2.141 111.029 108.800 0.147 0.000 2.512 705 G HA2 0.308 4.268 3.960 -0.001 0.000 0.186 705 G HA3 0.308 4.268 3.960 -0.001 0.000 0.186 705 G C -1.427 173.480 174.900 0.011 0.000 1.189 705 G CA -1.030 44.103 45.100 0.055 0.000 0.994 705 G HN 0.446 nan 8.290 nan 0.000 0.506 706 L N 1.719 122.930 121.223 -0.019 0.000 2.453 706 L HA 0.259 4.598 4.340 -0.001 0.000 0.261 706 L C -1.177 175.620 176.870 -0.121 0.000 1.179 706 L CA -1.427 53.364 54.840 -0.080 0.000 0.813 706 L CB 1.350 43.382 42.059 -0.045 0.000 1.110 706 L HN 0.295 nan 8.230 nan 0.000 0.466 707 P HA -0.171 nan 4.420 nan 0.000 0.217 707 P C 1.158 178.408 177.300 -0.083 0.000 1.151 707 P CA 1.398 64.371 63.100 -0.213 0.000 0.849 707 P CB 0.142 31.583 31.700 -0.432 0.000 0.787 708 G N -1.839 106.918 108.800 -0.072 0.000 2.920 708 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.208 708 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.208 708 G C 0.313 175.213 174.900 -0.001 0.000 1.159 708 G CA -0.040 45.048 45.100 -0.020 0.000 0.784 708 G HN 0.186 nan 8.290 nan 0.000 0.535 709 D N 1.191 121.589 120.400 -0.003 0.000 2.357 709 D HA 0.206 4.846 4.640 -0.001 0.000 0.242 709 D C -2.071 174.257 176.300 0.046 0.000 1.153 709 D CA -1.345 52.668 54.000 0.022 0.000 0.918 709 D CB 1.151 41.959 40.800 0.014 0.000 1.181 709 D HN 0.030 nan 8.370 nan 0.000 0.435 710 P HA 0.004 nan 4.420 nan 0.000 0.263 710 P C 0.142 177.515 177.300 0.121 0.000 1.195 710 P CA 0.004 63.176 63.100 0.121 0.000 0.762 710 P CB 0.675 32.513 31.700 0.231 0.000 0.799 711 K N 1.943 122.370 120.400 0.045 0.000 2.358 711 K HA 0.082 4.401 4.320 -0.001 0.000 0.200 711 K C 0.971 177.546 176.600 -0.042 0.000 1.030 711 K CA -0.204 56.092 56.287 0.016 0.000 1.097 711 K CB 0.386 32.885 32.500 -0.001 0.000 0.862 711 K HN 0.434 nan 8.250 nan 0.000 0.534 712 R N 1.867 122.299 120.500 -0.113 0.000 2.522 712 R HA 0.035 4.375 4.340 -0.001 0.000 0.284 712 R C -0.461 175.632 176.300 -0.346 0.000 1.032 712 R CA 0.280 56.184 56.100 -0.328 0.000 1.049 712 R CB 0.454 30.410 30.300 -0.573 0.000 0.956 712 R HN -0.061 nan 8.270 nan 0.000 0.422 713 R N 4.035 124.315 120.500 -0.367 0.000 2.295 713 R HA 0.196 4.535 4.340 -0.001 0.000 0.324 713 R C -1.114 174.914 176.300 -0.454 0.000 0.968 713 R CA -0.527 55.415 56.100 -0.263 0.000 0.837 713 R CB 1.170 31.389 30.300 -0.135 0.000 1.133 713 R HN 0.518 nan 8.270 nan 0.000 0.450 714 Y N 1.541 121.628 120.300 -0.356 0.000 2.387 714 Y HA 0.436 4.986 4.550 -0.001 0.000 0.330 714 Y C 0.615 176.207 175.900 -0.514 0.000 1.133 714 Y CA -0.578 57.108 58.100 -0.691 0.000 1.152 714 Y CB 1.509 39.012 38.460 -1.595 0.000 1.215 714 Y HN 0.233 nan 8.280 nan 0.000 0.466 715 R N 0.628 120.979 120.500 -0.249 0.000 2.574 715 R HA 0.350 4.689 4.340 -0.001 0.000 0.288 715 R C -0.627 175.709 176.300 0.060 0.000 1.004 715 R CA -0.869 55.200 56.100 -0.051 0.000 0.895 715 R CB 1.929 32.193 30.300 -0.061 0.000 1.191 715 R HN 0.819 nan 8.270 nan 0.000 0.444 716 T N -0.553 114.091 114.554 0.150 0.000 2.802 716 T HA 0.105 4.454 4.350 -0.001 0.000 0.305 716 T C 0.555 175.295 174.700 0.066 0.000 1.053 716 T CA -0.504 61.645 62.100 0.081 0.000 1.058 716 T CB 1.018 69.630 68.868 -0.428 0.000 0.988 716 T HN 0.422 nan 8.240 nan 0.000 0.539 717 K N 0.584 121.064 120.400 0.133 0.000 2.286 717 K HA 0.216 4.535 4.320 -0.001 0.000 0.256 717 K C 0.258 177.034 176.600 0.295 0.000 0.999 717 K CA -0.540 55.846 56.287 0.165 0.000 0.908 717 K CB 0.114 32.732 32.500 0.196 0.000 0.981 717 K HN 0.566 nan 8.250 nan 0.000 0.500 718 L N 2.477 123.844 121.223 0.240 0.000 2.506 718 L HA -0.041 4.299 4.340 -0.001 0.000 0.281 718 L C 0.650 177.765 176.870 0.408 0.000 1.228 718 L CA -0.105 54.939 54.840 0.341 0.000 0.850 718 L CB 0.619 42.793 42.059 0.192 0.000 1.110 718 L HN 0.822 nan 8.230 nan 0.000 0.496 719 S N 1.990 117.945 115.700 0.425 0.000 2.559 719 S HA 0.033 4.502 4.470 -0.001 0.000 0.282 719 S C -1.742 172.844 174.600 -0.023 0.000 1.336 719 S CA -1.038 57.163 58.200 0.002 0.000 1.037 719 S CB 0.331 63.443 63.200 -0.148 0.000 0.853 719 S HN 0.464 nan 8.310 nan 0.000 0.523 720 P HA -0.050 nan 4.420 nan 0.000 0.216 720 P C 0.639 177.914 177.300 -0.042 0.000 1.150 720 P CA 1.655 64.717 63.100 -0.064 0.000 0.843 720 P CB -0.027 31.610 31.700 -0.105 0.000 0.787 721 S N -4.139 111.526 115.700 -0.058 0.000 2.819 721 S HA 0.287 4.757 4.470 -0.001 0.000 0.299 721 S C 0.860 175.445 174.600 -0.025 0.000 1.192 721 S CA 0.057 58.236 58.200 -0.034 0.000 0.847 721 S CB 0.289 63.462 63.200 -0.045 0.000 1.224 721 S HN 0.027 nan 8.310 nan 0.000 0.537 722 T N -1.238 113.309 114.554 -0.012 0.000 3.160 722 T HA 0.082 4.431 4.350 -0.001 0.000 0.257 722 T C 0.642 175.333 174.700 -0.015 0.000 1.147 722 T CA 0.374 62.475 62.100 0.001 0.000 1.064 722 T CB -1.227 67.649 68.868 0.012 0.000 0.949 722 T HN 0.697 nan 8.240 nan 0.000 0.526 723 N N 1.997 120.668 118.700 -0.047 0.000 2.417 723 N HA -0.037 4.703 4.740 -0.001 0.000 0.272 723 N C 0.927 176.385 175.510 -0.087 0.000 1.304 723 N CA 0.297 53.304 53.050 -0.072 0.000 0.906 723 N CB 0.423 38.845 38.487 -0.108 0.000 1.135 723 N HN 0.484 nan 8.380 nan 0.000 0.483 724 S N 3.484 119.154 115.700 -0.050 0.000 2.523 724 S HA 0.112 4.582 4.470 -0.001 0.000 0.217 724 S C 1.613 176.170 174.600 -0.073 0.000 0.996 724 S CA -0.463 57.717 58.200 -0.034 0.000 0.921 724 S CB 0.059 63.282 63.200 0.037 0.000 0.829 724 S HN 0.613 nan 8.310 nan 0.000 0.495 725 I N 2.846 123.339 120.570 -0.129 0.000 2.233 725 I HA -0.052 4.118 4.170 -0.001 0.000 0.243 725 I C 0.751 176.576 176.117 -0.488 0.000 1.093 725 I CA 1.056 62.160 61.300 -0.326 0.000 1.380 725 I CB -0.139 37.714 38.000 -0.245 0.000 1.067 725 I HN 0.497 nan 8.210 nan 0.000 0.413 726 N N -0.259 118.242 118.700 -0.332 0.000 2.651 726 N HA 0.196 4.935 4.740 -0.001 0.000 0.277 726 N C -2.886 172.449 175.510 -0.291 0.000 1.787 726 N CA -1.469 51.395 53.050 -0.311 0.000 0.818 726 N CB -0.358 37.946 38.487 -0.306 0.000 1.316 726 N HN -0.014 nan 8.380 nan 0.000 0.503 727 P HA 0.102 nan 4.420 nan 0.000 0.268 727 P C -0.418 176.514 177.300 -0.612 0.000 1.205 727 P CA -0.127 62.658 63.100 -0.525 0.000 0.771 727 P CB 1.482 32.752 31.700 -0.716 0.000 0.858 728 V N 4.144 123.743 119.914 -0.525 0.000 2.444 728 V HA 0.297 4.416 4.120 -0.001 0.000 0.294 728 V C 0.185 176.083 176.094 -0.327 0.000 1.022 728 V CA -0.624 61.479 62.300 -0.329 0.000 0.850 728 V CB 1.453 33.189 31.823 -0.146 0.000 0.992 728 V HN 0.587 nan 8.190 nan 0.000 0.426 729 W N 2.882 124.193 121.300 0.018 0.000 2.332 729 W HA 0.509 5.168 4.660 -0.000 0.000 0.351 729 W C 0.229 176.748 176.519 0.001 0.000 1.195 729 W CA -0.974 56.382 57.345 0.018 0.000 1.334 729 W CB 1.346 30.823 29.460 0.029 0.000 1.206 729 W HN 0.414 nan 8.180 nan 0.000 0.637 730 K N 2.172 122.713 120.400 0.235 0.000 2.533 730 K HA 0.183 4.503 4.320 -0.001 0.000 0.207 730 K C -0.310 176.345 176.600 0.092 0.000 1.052 730 K CA -0.268 56.090 56.287 0.118 0.000 1.030 730 K CB 0.967 33.513 32.500 0.076 0.000 1.522 730 K HN 0.180 nan 8.250 nan 0.000 0.543 731 E N 1.710 121.938 120.200 0.046 0.000 2.207 731 E HA 0.216 4.566 4.350 -0.001 0.000 0.270 731 E C -0.127 176.402 176.600 -0.117 0.000 0.927 731 E CA -0.739 55.635 56.400 -0.044 0.000 0.799 731 E CB 1.831 31.425 29.700 -0.176 0.000 1.172 731 E HN 0.243 nan 8.360 nan 0.000 0.404 732 E N 1.654 121.794 120.200 -0.100 0.000 2.374 732 E HA 0.261 4.610 4.350 -0.001 0.000 0.260 732 E C -2.143 174.295 176.600 -0.269 0.000 1.101 732 E CA -2.072 54.259 56.400 -0.115 0.000 0.907 732 E CB -0.356 29.326 29.700 -0.030 0.000 1.014 732 E HN 0.125 nan 8.360 nan 0.000 0.427 733 P HA 0.002 nan 4.420 nan 0.000 0.266 733 P C -0.561 176.561 177.300 -0.297 0.000 1.195 733 P CA 0.542 63.471 63.100 -0.285 0.000 0.768 733 P CB 0.122 31.741 31.700 -0.134 0.000 0.838 734 F N 1.530 121.218 119.950 -0.437 0.000 2.421 734 F HA 0.251 4.777 4.527 -0.001 0.000 0.358 734 F C 0.523 175.879 175.800 -0.741 0.000 1.115 734 F CA -0.989 56.425 58.000 -0.977 0.000 1.160 734 F CB 0.749 39.079 39.000 -1.117 0.000 1.123 734 F HN -0.053 nan 8.300 nan 0.000 0.508 735 V N 4.965 124.566 119.914 -0.521 0.000 2.398 735 V HA 0.258 4.378 4.120 -0.001 0.000 0.286 735 V C -0.480 175.382 176.094 -0.386 0.000 1.026 735 V CA -0.746 61.397 62.300 -0.262 0.000 0.868 735 V CB 1.373 33.134 31.823 -0.102 0.000 0.982 735 V HN 0.459 nan 8.190 nan 0.000 0.443 736 F N 2.810 122.777 119.950 0.029 0.000 2.307 736 F HA 0.377 4.903 4.527 -0.001 0.000 0.369 736 F C 0.626 176.435 175.800 0.015 0.000 1.076 736 F CA -0.394 57.633 58.000 0.045 0.000 1.149 736 F CB 0.898 39.908 39.000 0.017 0.000 1.410 736 F HN 0.497 nan 8.300 nan 0.000 0.481 737 E N 4.515 124.783 120.200 0.113 0.000 2.316 737 E HA 0.086 4.435 4.350 -0.001 0.000 0.275 737 E C -0.130 176.513 176.600 0.071 0.000 1.029 737 E CA -0.412 56.029 56.400 0.068 0.000 0.871 737 E CB 0.510 30.230 29.700 0.034 0.000 1.022 737 E HN 0.308 nan 8.360 nan 0.000 0.418 738 K N 3.399 123.830 120.400 0.051 0.000 4.007 738 K HA -0.189 4.130 4.320 -0.001 0.000 0.279 738 K C -0.395 176.232 176.600 0.044 0.000 0.919 738 K CA 0.641 56.951 56.287 0.039 0.000 0.800 738 K CB -1.816 30.702 32.500 0.031 0.000 1.572 738 K HN 0.595 nan 8.250 nan 0.000 0.443 739 I N 2.437 123.033 120.570 0.043 0.000 2.581 739 I HA -0.097 4.072 4.170 -0.001 0.000 0.285 739 I C 2.156 178.279 176.117 0.009 0.000 1.129 739 I CA -0.158 61.155 61.300 0.022 0.000 1.397 739 I CB 0.282 38.280 38.000 -0.004 0.000 1.399 739 I HN 0.265 nan 8.210 nan 0.000 0.537 740 L N 6.081 127.311 121.223 0.011 0.000 2.044 740 L HA 0.014 4.354 4.340 -0.001 0.000 0.205 740 L C 0.885 177.759 176.870 0.007 0.000 1.075 740 L CA 1.387 56.237 54.840 0.017 0.000 0.747 740 L CB -0.174 41.902 42.059 0.029 0.000 0.903 740 L HN 0.610 nan 8.230 nan 0.000 0.435 741 M N -0.836 118.756 119.600 -0.014 0.000 1.949 741 M HA 0.236 4.716 4.480 -0.001 0.000 0.234 741 M C -2.031 174.247 176.300 -0.038 0.000 0.855 741 M CA -1.304 53.972 55.300 -0.040 0.000 0.800 741 M CB 1.913 34.434 32.600 -0.132 0.000 1.697 741 M HN -0.261 nan 8.290 nan 0.000 0.357 742 P HA -0.210 nan 4.420 nan 0.000 0.218 742 P C 1.153 178.410 177.300 -0.072 0.000 1.146 742 P CA 1.258 64.322 63.100 -0.060 0.000 0.813 742 P CB 0.195 31.855 31.700 -0.066 0.000 0.778 743 E N -0.156 120.011 120.200 -0.055 0.000 2.160 743 E HA -0.176 4.173 4.350 -0.001 0.000 0.195 743 E C 1.422 177.989 176.600 -0.055 0.000 0.991 743 E CA 0.910 57.273 56.400 -0.063 0.000 0.810 743 E CB -0.424 29.253 29.700 -0.038 0.000 0.742 743 E HN 0.241 nan 8.360 nan 0.000 0.466 744 L N 0.024 121.227 121.223 -0.034 0.000 2.567 744 L HA 0.248 4.588 4.340 -0.001 0.000 0.225 744 L C 0.819 177.663 176.870 -0.043 0.000 1.119 744 L CA -0.192 54.630 54.840 -0.031 0.000 0.871 744 L CB 0.301 42.356 42.059 -0.005 0.000 1.036 744 L HN 0.034 nan 8.230 nan 0.000 0.459 745 A N -0.586 122.199 122.820 -0.058 0.000 2.306 745 A HA 0.759 5.078 4.320 -0.001 0.000 0.330 745 A C -0.222 177.316 177.584 -0.077 0.000 1.146 745 A CA -0.241 51.766 52.037 -0.050 0.000 0.827 745 A CB 1.166 20.124 19.000 -0.069 0.000 1.178 745 A HN 0.052 nan 8.150 nan 0.000 0.490 746 S N -0.218 115.460 115.700 -0.037 0.000 2.541 746 S HA 0.556 5.025 4.470 -0.001 0.000 0.280 746 S C -1.290 173.225 174.600 -0.141 0.000 1.112 746 S CA -0.431 57.739 58.200 -0.050 0.000 0.925 746 S CB 1.479 64.729 63.200 0.083 0.000 1.067 746 S HN 0.771 nan 8.310 nan 0.000 0.479 747 L N 3.082 124.187 121.223 -0.196 0.000 2.282 747 L HA 0.596 4.936 4.340 -0.001 0.000 0.288 747 L C -0.034 176.714 176.870 -0.203 0.000 1.033 747 L CA -0.265 54.390 54.840 -0.308 0.000 0.807 747 L CB 0.872 42.744 42.059 -0.312 0.000 1.209 747 L HN 0.693 nan 8.230 nan 0.000 0.423 748 R N 4.262 124.600 120.500 -0.270 0.000 2.294 748 R HA 0.701 5.041 4.340 -0.001 0.000 0.319 748 R C -1.808 174.453 176.300 -0.064 0.000 0.984 748 R CA -0.562 55.478 56.100 -0.099 0.000 0.861 748 R CB 1.227 31.454 30.300 -0.122 0.000 1.104 748 R HN 0.545 nan 8.270 nan 0.000 0.451 749 V N 3.845 123.752 119.914 -0.010 0.000 2.409 749 V HA 0.615 4.735 4.120 -0.001 0.000 0.290 749 V C -0.649 175.457 176.094 0.021 0.000 1.017 749 V CA -0.714 61.581 62.300 -0.008 0.000 0.841 749 V CB 1.391 33.189 31.823 -0.042 0.000 1.003 749 V HN 0.925 nan 8.190 nan 0.000 0.426 750 A N 4.824 127.650 122.820 0.009 0.000 2.356 750 A HA 0.889 5.208 4.320 -0.001 0.000 0.310 750 A C -0.873 176.608 177.584 -0.173 0.000 1.075 750 A CA -0.565 51.456 52.037 -0.026 0.000 0.746 750 A CB 1.758 20.794 19.000 0.060 0.000 1.221 750 A HN 0.617 nan 8.150 nan 0.000 0.443 751 V N 4.015 123.764 119.914 -0.275 0.000 2.427 751 V HA 0.582 4.702 4.120 -0.001 0.000 0.286 751 V C -0.111 175.743 176.094 -0.400 0.000 1.034 751 V CA -0.322 61.798 62.300 -0.299 0.000 0.893 751 V CB 1.264 32.982 31.823 -0.175 0.000 0.982 751 V HN 0.904 nan 8.190 nan 0.000 0.452 752 M N 2.900 122.210 119.600 -0.484 0.000 2.572 752 M HA 0.543 5.022 4.480 -0.001 0.000 0.299 752 M C -0.341 175.795 176.300 -0.274 0.000 1.205 752 M CA -0.588 54.437 55.300 -0.458 0.000 0.876 752 M CB 2.396 34.518 32.600 -0.797 0.000 1.728 752 M HN 0.605 nan 8.290 nan 0.000 0.458 753 E N 0.964 121.119 120.200 -0.075 0.000 2.373 753 E HA 0.133 4.483 4.350 -0.001 0.000 0.263 753 E C -0.359 176.339 176.600 0.163 0.000 1.073 753 E CA -0.391 56.042 56.400 0.055 0.000 0.894 753 E CB 1.016 30.758 29.700 0.070 0.000 1.008 753 E HN 0.523 nan 8.360 nan 0.000 0.420 754 E N 0.291 120.625 120.200 0.223 0.000 2.608 754 E HA -0.104 4.245 4.350 -0.001 0.000 0.259 754 E C 0.580 177.291 176.600 0.186 0.000 0.951 754 E CA 1.059 57.606 56.400 0.245 0.000 0.945 754 E CB -0.050 29.750 29.700 0.166 0.000 0.916 754 E HN 0.731 nan 8.360 nan 0.000 0.477 755 G N 4.391 113.307 108.800 0.193 0.000 2.195 755 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.224 755 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.224 755 G C 0.104 175.104 174.900 0.166 0.000 0.990 755 G CA -0.023 45.162 45.100 0.141 0.000 0.639 755 G HN 0.754 nan 8.290 nan 0.000 0.514 756 N N -0.772 118.079 118.700 0.252 0.000 2.862 756 N HA -0.137 4.603 4.740 -0.001 0.000 0.246 756 N C 0.004 175.597 175.510 0.139 0.000 1.111 756 N CA 1.704 54.894 53.050 0.233 0.000 0.688 756 N CB -1.216 37.405 38.487 0.224 0.000 1.018 756 N HN 0.978 nan 8.380 nan 0.000 0.556 757 K N 0.595 121.062 120.400 0.111 0.000 2.248 757 K HA 0.296 4.616 4.320 -0.001 0.000 0.281 757 K C -0.207 176.456 176.600 0.105 0.000 1.054 757 K CA -0.585 55.769 56.287 0.111 0.000 0.903 757 K CB 0.426 32.985 32.500 0.097 0.000 1.077 757 K HN 0.074 nan 8.250 nan 0.000 0.474 758 F N 5.593 125.541 119.950 -0.005 0.000 2.578 758 F HA 0.008 4.535 4.527 -0.001 0.000 0.381 758 F C 0.306 176.108 175.800 0.003 0.000 1.069 758 F CA 0.327 58.317 58.000 -0.017 0.000 1.231 758 F CB 0.457 39.443 39.000 -0.023 0.000 1.086 758 F HN 0.586 nan 8.300 nan 0.000 0.564 759 L N 4.432 125.365 121.223 -0.483 0.000 2.445 759 L HA 0.473 4.813 4.340 -0.001 0.000 0.207 759 L C 0.975 177.577 176.870 -0.447 0.000 1.053 759 L CA 0.385 55.050 54.840 -0.292 0.000 0.841 759 L CB -0.010 41.945 42.059 -0.172 0.000 1.074 759 L HN 0.788 nan 8.230 nan 0.000 0.479 760 G N -1.376 106.858 108.800 -0.943 0.000 2.489 760 G HA2 0.460 4.420 3.960 -0.001 0.000 0.291 760 G HA3 0.460 4.420 3.960 -0.001 0.000 0.291 760 G C -2.119 172.540 174.900 -0.400 0.000 1.487 760 G CA -0.400 44.404 45.100 -0.493 0.000 0.795 760 G HN 0.144 nan 8.290 nan 0.000 0.513 761 H N -0.345 118.655 119.070 -0.117 0.000 2.981 761 H HA 0.785 5.340 4.556 -0.001 0.000 0.327 761 H C -1.482 173.840 175.328 -0.010 0.000 1.342 761 H CA -1.046 54.990 56.048 -0.021 0.000 1.123 761 H CB 1.734 31.610 29.762 0.190 0.000 1.851 761 H HN 0.602 nan 8.280 nan 0.000 0.531 762 R N 1.206 121.463 120.500 -0.404 0.000 2.673 762 R HA 0.527 4.867 4.340 -0.001 0.000 0.281 762 R C -0.769 175.359 176.300 -0.287 0.000 0.991 762 R CA -0.782 54.994 56.100 -0.540 0.000 0.896 762 R CB 2.039 32.127 30.300 -0.353 0.000 1.201 762 R HN 0.662 nan 8.270 nan 0.000 0.457 763 I N 4.119 124.571 120.570 -0.197 0.000 2.418 763 I HA 0.469 4.639 4.170 -0.001 0.000 0.287 763 I C -0.344 175.793 176.117 0.033 0.000 1.008 763 I CA -0.526 60.796 61.300 0.037 0.000 1.104 763 I CB 1.580 39.720 38.000 0.233 0.000 1.264 763 I HN 0.360 nan 8.210 nan 0.000 0.438 764 I N 7.888 128.446 120.570 -0.020 0.000 2.478 764 I HA 0.366 4.535 4.170 -0.001 0.000 0.287 764 I C -2.477 173.545 176.117 -0.160 0.000 1.042 764 I CA -2.159 59.110 61.300 -0.052 0.000 1.067 764 I CB 2.141 40.105 38.000 -0.061 0.000 1.233 764 I HN 0.205 nan 8.210 nan 0.000 0.431 765 P HA 0.039 nan 4.420 nan 0.000 0.264 765 P C 0.935 178.074 177.300 -0.267 0.000 1.183 765 P CA -0.095 62.806 63.100 -0.331 0.000 0.763 765 P CB 0.544 31.911 31.700 -0.555 0.000 0.807 766 I N 2.251 122.699 120.570 -0.203 0.000 2.208 766 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 766 I C 1.501 177.521 176.117 -0.162 0.000 1.097 766 I CA 1.728 62.924 61.300 -0.173 0.000 1.363 766 I CB -1.315 36.597 38.000 -0.146 0.000 1.051 766 I HN 0.409 nan 8.210 nan 0.000 0.413 767 N N 0.915 119.515 118.700 -0.167 0.000 2.550 767 N HA -0.013 4.727 4.740 -0.001 0.000 0.186 767 N C 1.539 176.964 175.510 -0.141 0.000 1.110 767 N CA 0.919 53.885 53.050 -0.140 0.000 0.912 767 N CB 0.024 38.434 38.487 -0.127 0.000 0.968 767 N HN 0.364 nan 8.380 nan 0.000 0.448 768 A N -0.292 122.416 122.820 -0.187 0.000 2.267 768 A HA 0.237 4.556 4.320 -0.001 0.000 0.213 768 A C 0.702 178.231 177.584 -0.093 0.000 1.192 768 A CA -0.202 51.753 52.037 -0.137 0.000 0.851 768 A CB 0.134 18.992 19.000 -0.237 0.000 0.881 768 A HN 0.116 nan 8.150 nan 0.000 0.494 769 L N 1.317 122.464 121.223 -0.126 0.000 2.349 769 L HA 0.203 4.542 4.340 -0.001 0.000 0.275 769 L C -0.119 176.670 176.870 -0.135 0.000 1.115 769 L CA -0.297 54.459 54.840 -0.141 0.000 0.820 769 L CB 0.908 42.873 42.059 -0.156 0.000 1.135 769 L HN 0.323 nan 8.230 nan 0.000 0.445 770 N N 0.411 119.008 118.700 -0.171 0.000 2.492 770 N HA 0.309 5.049 4.740 -0.001 0.000 0.289 770 N C -0.490 174.973 175.510 -0.079 0.000 1.133 770 N CA -0.551 52.431 53.050 -0.114 0.000 0.961 770 N CB 1.357 39.788 38.487 -0.093 0.000 1.186 770 N HN 0.655 nan 8.380 nan 0.000 0.493 771 S N 0.457 116.133 115.700 -0.041 0.000 2.652 771 S HA 0.831 5.301 4.470 -0.001 0.000 0.270 771 S C 0.653 175.205 174.600 -0.080 0.000 1.243 771 S CA -0.006 58.114 58.200 -0.133 0.000 0.999 771 S CB 1.235 64.324 63.200 -0.184 0.000 0.973 771 S HN 0.929 nan 8.310 nan 0.000 0.544 772 G N 0.005 108.550 108.800 -0.425 0.000 2.483 772 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.521 772 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.521 772 G C -1.305 173.300 174.900 -0.492 0.000 1.278 772 G CA -0.864 43.965 45.100 -0.451 0.000 0.965 772 G HN 0.816 nan 8.290 nan 0.000 0.504 773 Y N 1.950 122.142 120.300 -0.181 0.000 2.402 773 Y HA 0.567 5.117 4.550 -0.000 0.000 0.333 773 Y C 1.199 176.808 175.900 -0.486 0.000 1.076 773 Y CA 0.310 58.301 58.100 -0.183 0.000 1.299 773 Y CB 0.877 39.411 38.460 0.124 0.000 1.197 773 Y HN 0.502 nan 8.280 nan 0.000 0.517 774 H N 1.636 120.711 119.070 0.008 0.000 2.895 774 H HA 0.282 4.837 4.556 -0.001 0.000 0.373 774 H C -0.946 174.435 175.328 0.088 0.000 1.174 774 H CA -0.922 55.176 56.048 0.082 0.000 1.144 774 H CB 1.708 31.472 29.762 0.004 0.000 1.793 774 H HN 0.651 nan 8.280 nan 0.000 0.551 775 H N 2.375 121.676 119.070 0.386 0.000 2.690 775 H HA 0.078 4.633 4.556 -0.001 0.000 0.289 775 H C -0.214 175.241 175.328 0.211 0.000 1.089 775 H CA -0.618 55.626 56.048 0.327 0.000 1.299 775 H CB 1.585 31.512 29.762 0.276 0.000 1.405 775 H HN 0.167 nan 8.280 nan 0.000 0.463 776 L N 4.784 126.135 121.223 0.213 0.000 2.295 776 L HA 0.146 4.486 4.340 -0.001 0.000 0.288 776 L C -0.204 176.713 176.870 0.077 0.000 1.079 776 L CA -0.274 54.622 54.840 0.093 0.000 0.830 776 L CB -0.261 41.810 42.059 0.019 0.000 1.200 776 L HN 0.614 nan 8.230 nan 0.000 0.438 777 C N 5.516 124.849 119.300 0.054 0.000 2.637 777 C HA 0.318 4.777 4.460 -0.001 0.000 0.418 777 C C 0.560 175.488 174.990 -0.103 0.000 1.319 777 C CA -0.843 58.161 59.018 -0.024 0.000 1.949 777 C CB -0.585 27.116 27.740 -0.065 0.000 2.639 777 C HN 0.656 nan 8.230 nan 0.000 0.594 778 L N 3.933 125.112 121.223 -0.072 0.000 2.343 778 L HA 0.484 4.824 4.340 -0.001 0.000 0.275 778 L C 0.009 176.971 176.870 0.154 0.000 1.056 778 L CA -0.311 54.499 54.840 -0.050 0.000 0.804 778 L CB 0.682 42.727 42.059 -0.024 0.000 1.203 778 L HN 0.653 nan 8.230 nan 0.000 0.440 779 H N -0.401 118.679 119.070 0.015 0.000 2.651 779 H HA 0.419 4.975 4.556 -0.001 0.000 0.353 779 H C -0.082 175.448 175.328 0.335 0.000 1.178 779 H CA -1.260 54.850 56.048 0.105 0.000 1.224 779 H CB 1.775 31.575 29.762 0.062 0.000 1.702 779 H HN 0.621 nan 8.280 nan 0.000 0.550 780 S N 0.215 116.164 115.700 0.415 0.000 2.626 780 S HA 0.032 4.502 4.470 -0.001 0.000 0.257 780 S C 1.021 175.830 174.600 0.348 0.000 1.288 780 S CA -0.372 58.075 58.200 0.411 0.000 0.980 780 S CB 0.784 64.102 63.200 0.197 0.000 0.975 780 S HN 0.613 nan 8.310 nan 0.000 0.577 781 E N 0.873 121.023 120.200 -0.084 0.000 2.118 781 E HA -0.100 4.249 4.350 -0.001 0.000 0.195 781 E C 1.917 178.454 176.600 -0.105 0.000 0.992 781 E CA 1.635 57.797 56.400 -0.396 0.000 0.804 781 E CB -0.318 29.013 29.700 -0.616 0.000 0.741 781 E HN 0.774 nan 8.360 nan 0.000 0.458 782 S N -0.257 115.431 115.700 -0.020 0.000 2.671 782 S HA 0.038 4.507 4.470 -0.001 0.000 0.220 782 S C 0.707 175.357 174.600 0.082 0.000 0.951 782 S CA 0.190 58.395 58.200 0.008 0.000 0.932 782 S CB -0.344 62.849 63.200 -0.012 0.000 0.777 782 S HN 0.410 nan 8.310 nan 0.000 0.508 783 N N -0.181 118.635 118.700 0.193 0.000 2.850 783 N HA -0.153 4.587 4.740 -0.001 0.000 0.249 783 N C -0.727 174.788 175.510 0.008 0.000 1.060 783 N CA 0.430 53.615 53.050 0.225 0.000 0.825 783 N CB -1.293 37.315 38.487 0.202 0.000 1.132 783 N HN 0.541 nan 8.380 nan 0.000 0.564 784 M N 1.499 121.103 119.600 0.006 0.000 2.235 784 M HA 0.311 4.790 4.480 -0.001 0.000 0.351 784 M C -2.127 174.068 176.300 -0.175 0.000 1.178 784 M CA -1.344 53.905 55.300 -0.086 0.000 1.143 784 M CB 0.760 33.359 32.600 -0.001 0.000 1.530 784 M HN -0.033 nan 8.290 nan 0.000 0.461 785 P HA 0.213 nan 4.420 nan 0.000 0.276 785 P C -1.245 176.001 177.300 -0.090 0.000 1.235 785 P CA 0.084 63.039 63.100 -0.242 0.000 0.772 785 P CB 0.365 32.030 31.700 -0.058 0.000 0.871 786 L N 2.962 124.125 121.223 -0.100 0.000 2.334 786 L HA 0.272 4.611 4.340 -0.001 0.000 0.277 786 L C 1.780 178.518 176.870 -0.221 0.000 1.075 786 L CA -0.364 54.432 54.840 -0.073 0.000 0.804 786 L CB 0.724 42.789 42.059 0.011 0.000 1.174 786 L HN 0.312 nan 8.230 nan 0.000 0.438 787 T N 1.220 115.732 114.554 -0.070 0.000 2.809 787 T HA -0.029 4.321 4.350 -0.001 0.000 0.260 787 T C 1.803 176.506 174.700 0.006 0.000 1.039 787 T CA 0.948 63.048 62.100 0.001 0.000 1.141 787 T CB 0.038 68.959 68.868 0.087 0.000 0.869 787 T HN 0.436 nan 8.240 nan 0.000 0.437 788 M N 0.810 120.421 119.600 0.018 0.000 2.098 788 M HA 0.114 4.593 4.480 -0.001 0.000 0.262 788 M C -1.633 174.773 176.300 0.176 0.000 1.072 788 M CA 0.512 55.855 55.300 0.072 0.000 1.133 788 M CB -1.685 30.944 32.600 0.048 0.000 1.344 788 M HN 0.062 nan 8.290 nan 0.000 0.414 789 P HA 0.406 nan 4.420 nan 0.000 0.285 789 P C -1.401 175.974 177.300 0.125 0.000 1.259 789 P CA 0.049 63.243 63.100 0.156 0.000 0.794 789 P CB 1.440 33.198 31.700 0.097 0.000 0.940 790 A N 3.402 126.329 122.820 0.177 0.000 2.587 790 A HA 0.727 5.046 4.320 -0.001 0.000 0.293 790 A C -1.295 176.411 177.584 0.205 0.000 1.087 790 A CA -0.768 51.376 52.037 0.178 0.000 0.692 790 A CB 1.163 20.309 19.000 0.244 0.000 1.291 790 A HN 0.453 nan 8.150 nan 0.000 0.407 791 L N 0.676 122.013 121.223 0.190 0.000 2.334 791 L HA 0.602 4.942 4.340 -0.001 0.000 0.273 791 L C -1.077 175.934 176.870 0.235 0.000 1.013 791 L CA -0.581 54.385 54.840 0.210 0.000 0.816 791 L CB 1.807 43.942 42.059 0.126 0.000 1.278 791 L HN 0.743 nan 8.230 nan 0.000 0.431 792 F N 4.491 124.459 119.950 0.029 0.000 2.411 792 F HA 0.648 5.174 4.527 -0.000 0.000 0.352 792 F C -0.210 175.595 175.800 0.007 0.000 1.123 792 F CA -0.975 56.956 58.000 -0.116 0.000 1.044 792 F CB 0.819 39.708 39.000 -0.185 0.000 1.135 792 F HN 0.250 nan 8.300 nan 0.000 0.461 793 I N 2.814 123.122 120.570 -0.438 0.000 3.042 793 I HA 0.637 4.806 4.170 -0.001 0.000 0.310 793 I C -2.146 173.745 176.117 -0.376 0.000 1.117 793 I CA -1.070 60.038 61.300 -0.320 0.000 1.003 793 I CB 2.581 40.491 38.000 -0.151 0.000 1.228 793 I HN 0.500 nan 8.210 nan 0.000 0.443 794 F N 4.118 123.799 119.950 -0.450 0.000 2.477 794 F HA 0.716 5.243 4.527 -0.001 0.000 0.335 794 F C -1.614 173.985 175.800 -0.334 0.000 1.130 794 F CA -0.695 56.985 58.000 -0.534 0.000 0.948 794 F CB 1.524 40.095 39.000 -0.715 0.000 1.154 794 F HN 0.364 nan 8.300 nan 0.000 0.439 795 L N 5.296 125.958 121.223 -0.935 0.000 2.329 795 L HA 0.571 4.910 4.340 -0.001 0.000 0.279 795 L C -0.821 175.505 176.870 -0.906 0.000 1.014 795 L CA -0.558 53.878 54.840 -0.674 0.000 0.814 795 L CB 2.001 43.852 42.059 -0.346 0.000 1.257 795 L HN 0.633 nan 8.230 nan 0.000 0.424 796 E N 3.619 123.496 120.200 -0.538 0.000 2.290 796 E HA 0.573 4.923 4.350 -0.001 0.000 0.274 796 E C -1.584 174.903 176.600 -0.188 0.000 0.889 796 E CA -0.607 55.570 56.400 -0.371 0.000 0.760 796 E CB 1.848 31.401 29.700 -0.245 0.000 1.206 796 E HN 0.474 nan 8.360 nan 0.000 0.419 797 M N 3.809 123.323 119.600 -0.143 0.000 2.395 797 M HA 0.464 4.943 4.480 -0.001 0.000 0.307 797 M C -0.969 175.294 176.300 -0.062 0.000 1.091 797 M CA -0.887 54.359 55.300 -0.089 0.000 0.919 797 M CB 2.231 34.776 32.600 -0.092 0.000 1.662 797 M HN 0.393 nan 8.290 nan 0.000 0.440 798 K N 0.212 120.589 120.400 -0.040 0.000 2.477 798 K HA 0.616 4.936 4.320 -0.001 0.000 0.255 798 K C -1.500 175.089 176.600 -0.019 0.000 0.952 798 K CA -1.012 55.258 56.287 -0.027 0.000 0.826 798 K CB 1.909 34.397 32.500 -0.019 0.000 1.331 798 K HN 0.335 nan 8.250 nan 0.000 0.437 799 D N 0.000 120.391 120.400 -0.016 0.000 6.856 799 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 799 D CA 0.000 53.994 54.000 -0.011 0.000 0.868 799 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 799 D HN 0.000 nan 8.370 nan 0.000 0.683