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 3drh_1_A DATA FIRST_RESID 14 DATA SEQUENCE LKAGNFDVAY QNPDKAIKGG NLKVAYQSDS PMKAQWLSGL SNDATFATMS DATA SEQUENCE GPGGGQDGLF FTDSGFKFIK GGAADVALDK ESKTATITLR KDLKWSDGSE DATA SEQUENCE VTAKDYEFTY ETIANPAYGS DRWTDSLANI VGLSDYHTGK AKTISGITFP DATA SEQUENCE DGENGKVIKV QFKEMKPGMT QSGNGYFLET VAPYQYLKDV APKDLASSPK DATA SEQUENCE TTTKPLVTGP FKPENVVAGE SIKYVPNPYY WGEKPKLNSI TYEVVSTAKS DATA SEQUENCE VAALSSSKYD IINGMVSSQY KQVKNLKGYK VLGQQAMYIS LMYYNLGHYD DATA SEQUENCE AKNSINVQDR KTPLQDQNVR QAIGYARNVA EVDNKFSNGL STPANSLIPP DATA SEQUENCE IFKQFTSSSV KGYEKQDLDK ANKLLDEDGW KLNKSTGYRE KDGKELSLVY DATA SEQUENCE AARVGDANAE TIAQNYIQQW KKIGVKVSLY NGKLMEFNSW VDHMTTPPGA DATA SEQUENCE NDWDITDGSW SLASEPSQQD LFSAAAPYNF GHFNDSEITK DLNDIDSAKS DATA SEQUENCE ENPTYRKAAF VKYQEDMNKK AYVIPTNFML NYTPVNKRVV GMTLDYGAMN DATA SEQUENCE TWSEIGVSS 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 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.871 176.870 0.002 0.000 1.165 14 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 14 L CB 0.000 42.037 42.059 -0.036 0.000 0.961 15 K N 1.984 122.390 120.400 0.010 0.000 2.340 15 K HA 0.913 4.655 4.320 -0.963 0.000 0.244 15 K C -0.872 175.753 176.600 0.042 0.000 0.973 15 K CA -0.804 55.505 56.287 0.037 0.000 0.828 15 K CB 2.732 35.254 32.500 0.036 0.000 1.226 15 K HN 0.605 nan 8.250 nan 0.000 0.437 16 A N 0.897 123.770 122.820 0.089 0.000 2.522 16 A HA 0.608 4.350 4.320 -0.963 0.000 0.285 16 A C 0.479 178.178 177.584 0.192 0.000 1.198 16 A CA 0.144 52.239 52.037 0.096 0.000 0.742 16 A CB 0.430 19.457 19.000 0.045 0.000 1.176 16 A HN 0.804 nan 8.150 nan 0.000 0.444 17 G N 2.644 111.527 108.800 0.138 0.000 2.611 17 G HA2 -0.353 3.029 3.960 -0.963 0.000 0.301 17 G HA3 -0.353 3.029 3.960 -0.963 0.000 0.301 17 G C 0.695 175.643 174.900 0.080 0.000 1.233 17 G CA 0.622 45.802 45.100 0.132 0.000 0.993 17 G HN 0.783 nan 8.290 nan 0.000 0.553 18 N N 0.530 119.226 118.700 -0.006 0.000 2.515 18 N HA 0.142 4.304 4.740 -0.963 0.000 0.185 18 N C 0.696 176.109 175.510 -0.163 0.000 1.109 18 N CA 0.494 53.464 53.050 -0.134 0.000 0.903 18 N CB -0.153 38.183 38.487 -0.252 0.000 0.969 18 N HN 0.351 nan 8.380 nan 0.000 0.450 19 F N 1.380 121.325 119.950 -0.008 0.000 2.389 19 F HA 0.146 4.098 4.527 -0.959 0.000 0.337 19 F C 1.005 176.805 175.800 0.000 0.000 1.112 19 F CA -0.618 57.382 58.000 0.001 0.000 1.192 19 F CB 0.590 39.587 39.000 -0.005 0.000 1.185 19 F HN -0.216 nan 8.300 nan 0.000 0.552 20 D N 1.373 121.896 120.400 0.205 0.000 2.302 20 D HA 0.134 4.196 4.640 -0.963 0.000 0.248 20 D C 0.958 177.325 176.300 0.112 0.000 1.094 20 D CA -0.058 54.017 54.000 0.125 0.000 0.897 20 D CB 1.877 42.740 40.800 0.105 0.000 1.200 20 D HN 0.226 nan 8.370 nan 0.000 0.429 21 V N 0.917 120.857 119.914 0.044 0.000 2.649 21 V HA 0.026 3.568 4.120 -0.963 0.000 0.248 21 V C 0.869 176.950 176.094 -0.022 0.000 1.054 21 V CA 1.215 63.504 62.300 -0.019 0.000 1.073 21 V CB -0.193 31.592 31.823 -0.063 0.000 0.699 21 V HN 0.633 nan 8.190 nan 0.000 0.463 22 A N -1.295 121.532 122.820 0.011 0.000 2.355 22 A HA 0.656 4.398 4.320 -0.963 0.000 0.324 22 A C -1.336 176.313 177.584 0.110 0.000 1.117 22 A CA -0.443 51.606 52.037 0.020 0.000 0.785 22 A CB 0.987 19.973 19.000 -0.023 0.000 1.254 22 A HN 0.217 nan 8.150 nan 0.000 0.453 23 Y N 1.980 122.262 120.300 -0.030 0.000 2.454 23 Y HA 0.339 4.310 4.550 -0.966 0.000 0.345 23 Y C -0.078 175.807 175.900 -0.026 0.000 0.970 23 Y CA -0.909 57.181 58.100 -0.017 0.000 1.204 23 Y CB 0.638 39.091 38.460 -0.012 0.000 1.122 23 Y HN 0.646 nan 8.280 nan 0.000 0.514 24 Q N 5.353 125.080 119.800 -0.122 0.000 2.472 24 Q HA 0.084 3.846 4.340 -0.963 0.000 0.227 24 Q C -0.295 175.428 176.000 -0.462 0.000 1.156 24 Q CA -0.303 55.352 55.803 -0.248 0.000 0.924 24 Q CB 0.179 28.866 28.738 -0.085 0.000 1.354 24 Q HN 0.540 nan 8.270 nan 0.000 0.525 25 N N 3.927 122.159 118.700 -0.779 0.000 2.475 25 N HA 0.042 4.204 4.740 -0.963 0.000 0.267 25 N C -1.438 173.913 175.510 -0.264 0.000 1.169 25 N CA -1.361 51.277 53.050 -0.688 0.000 0.947 25 N CB 1.073 39.175 38.487 -0.642 0.000 1.061 25 N HN 0.330 nan 8.380 nan 0.000 0.466 26 P HA 0.064 nan 4.420 nan 0.000 0.233 26 P C -0.664 176.599 177.300 -0.061 0.000 1.167 26 P CA 0.627 63.684 63.100 -0.071 0.000 0.770 26 P CB 0.428 32.114 31.700 -0.025 0.000 0.837 27 D N 0.791 121.151 120.400 -0.067 0.000 2.193 27 D HA 0.186 4.248 4.640 -0.963 0.000 0.249 27 D C 0.505 176.771 176.300 -0.057 0.000 1.034 27 D CA -0.327 53.645 54.000 -0.047 0.000 0.902 27 D CB 1.446 42.230 40.800 -0.028 0.000 1.182 27 D HN -0.110 nan 8.370 nan 0.000 0.436 28 K N 0.493 120.869 120.400 -0.040 0.000 2.237 28 K HA 0.455 4.197 4.320 -0.963 0.000 0.270 28 K C -0.039 176.543 176.600 -0.031 0.000 1.015 28 K CA -0.504 55.761 56.287 -0.037 0.000 0.949 28 K CB 1.076 33.560 32.500 -0.026 0.000 0.976 28 K HN 0.467 nan 8.250 nan 0.000 0.472 29 A N 3.172 125.974 122.820 -0.030 0.000 2.407 29 A HA 0.270 4.012 4.320 -0.963 0.000 0.248 29 A C 0.713 178.293 177.584 -0.007 0.000 1.082 29 A CA -0.501 51.526 52.037 -0.017 0.000 0.785 29 A CB -0.249 18.743 19.000 -0.014 0.000 1.020 29 A HN 0.781 nan 8.150 nan 0.000 0.489 30 I N -1.104 119.466 120.570 0.001 0.000 3.211 30 I HA 0.378 3.970 4.170 -0.963 0.000 0.297 30 I C 0.050 176.173 176.117 0.011 0.000 1.095 30 I CA -0.794 60.509 61.300 0.005 0.000 1.239 30 I CB 0.570 38.575 38.000 0.009 0.000 1.455 30 I HN 0.514 nan 8.210 nan 0.000 0.630 31 K N 2.728 123.135 120.400 0.011 0.000 2.297 31 K HA 0.504 4.246 4.320 -0.963 0.000 0.286 31 K C 0.354 176.968 176.600 0.023 0.000 1.053 31 K CA 0.459 56.755 56.287 0.015 0.000 0.940 31 K CB 0.825 33.331 32.500 0.010 0.000 1.019 31 K HN 1.014 nan 8.250 nan 0.000 0.475 32 G N 1.676 110.496 108.800 0.034 0.000 2.584 32 G HA2 0.138 3.520 3.960 -0.963 0.000 0.229 32 G HA3 0.138 3.520 3.960 -0.963 0.000 0.229 32 G C 0.060 174.993 174.900 0.055 0.000 1.320 32 G CA -0.503 44.625 45.100 0.047 0.000 0.891 32 G HN 1.193 nan 8.290 nan 0.000 0.573 33 G N -1.291 107.543 108.800 0.056 0.000 2.570 33 G HA2 0.415 3.797 3.960 -0.963 0.000 0.686 33 G HA3 0.415 3.797 3.960 -0.963 0.000 0.686 33 G C -0.776 174.166 174.900 0.070 0.000 1.257 33 G CA 0.507 45.640 45.100 0.054 0.000 0.846 33 G HN 2.301 nan 8.290 nan 0.000 0.627 34 N N -0.897 117.837 118.700 0.058 0.000 2.354 34 N HA 0.662 4.824 4.740 -0.963 0.000 0.287 34 N C -0.691 174.846 175.510 0.045 0.000 1.016 34 N CA -0.749 52.335 53.050 0.057 0.000 0.871 34 N CB 1.639 40.158 38.487 0.053 0.000 1.299 34 N HN 0.811 nan 8.380 nan 0.000 0.482 35 L N 2.748 123.991 121.223 0.033 0.000 2.295 35 L HA 0.536 4.298 4.340 -0.963 0.000 0.285 35 L C -0.757 176.128 176.870 0.026 0.000 1.035 35 L CA -0.269 54.589 54.840 0.029 0.000 0.806 35 L CB 0.799 42.873 42.059 0.024 0.000 1.214 35 L HN 0.527 nan 8.230 nan 0.000 0.426 36 K N 4.894 125.330 120.400 0.060 0.000 2.334 36 K HA 0.584 4.326 4.320 -0.963 0.000 0.265 36 K C -1.321 175.346 176.600 0.112 0.000 1.039 36 K CA -0.590 55.769 56.287 0.121 0.000 0.920 36 K CB 1.604 34.211 32.500 0.178 0.000 1.160 36 K HN 0.358 nan 8.250 nan 0.000 0.451 37 V N 1.570 121.449 119.914 -0.059 0.000 2.628 37 V HA 0.774 4.316 4.120 -0.963 0.000 0.306 37 V C -0.289 175.578 176.094 -0.379 0.000 1.045 37 V CA -0.979 61.132 62.300 -0.315 0.000 0.905 37 V CB 1.641 33.002 31.823 -0.770 0.000 0.997 37 V HN 0.863 nan 8.190 nan 0.000 0.436 38 A N 2.905 125.469 122.820 -0.427 0.000 2.423 38 A HA 0.837 4.579 4.320 -0.963 0.000 0.304 38 A C -1.810 175.792 177.584 0.030 0.000 1.104 38 A CA -0.612 51.191 52.037 -0.391 0.000 0.757 38 A CB 1.548 19.832 19.000 -1.193 0.000 1.313 38 A HN 0.834 nan 8.150 nan 0.000 0.423 39 Y N 0.665 120.999 120.300 0.057 0.000 2.335 39 Y HA 0.461 4.459 4.550 -0.920 0.000 0.338 39 Y C 0.430 176.305 175.900 -0.041 0.000 0.977 39 Y CA -0.200 57.926 58.100 0.043 0.000 1.114 39 Y CB 1.580 40.062 38.460 0.038 0.000 1.182 39 Y HN 0.763 nan 8.280 nan 0.000 0.463 40 Q N 4.404 123.970 119.800 -0.390 0.000 2.307 40 Q HA 0.354 4.116 4.340 -0.963 0.000 0.261 40 Q C -1.172 174.817 176.000 -0.019 0.000 1.051 40 Q CA 0.155 55.844 55.803 -0.191 0.000 0.911 40 Q CB 0.476 29.068 28.738 -0.243 0.000 1.227 40 Q HN 0.632 nan 8.270 nan 0.000 0.418 41 S N 3.196 118.945 115.700 0.082 0.000 2.543 41 S HA 0.217 4.109 4.470 -0.963 0.000 0.271 41 S C -0.797 173.837 174.600 0.058 0.000 1.148 41 S CA -0.765 57.502 58.200 0.112 0.000 0.914 41 S CB 1.272 64.577 63.200 0.175 0.000 1.096 41 S HN 0.756 nan 8.310 nan 0.000 0.471 42 D N 2.023 122.446 120.400 0.038 0.000 2.339 42 D HA 0.217 4.279 4.640 -0.963 0.000 0.217 42 D C -0.089 176.225 176.300 0.024 0.000 1.050 42 D CA 0.351 54.366 54.000 0.026 0.000 0.856 42 D CB 0.700 41.508 40.800 0.013 0.000 0.922 42 D HN 0.278 nan 8.370 nan 0.000 0.518 43 S N 0.793 116.511 115.700 0.029 0.000 2.532 43 S HA 0.484 4.376 4.470 -0.963 0.000 0.301 43 S C -2.453 172.160 174.600 0.021 0.000 1.083 43 S CA -1.204 57.008 58.200 0.021 0.000 1.025 43 S CB 2.377 65.585 63.200 0.014 0.000 1.056 43 S HN -0.132 nan 8.310 nan 0.000 0.494 44 P HA 0.114 nan 4.420 nan 0.000 0.269 44 P C -0.163 177.134 177.300 -0.005 0.000 1.215 44 P CA -0.304 62.801 63.100 0.009 0.000 0.780 44 P CB 0.263 31.965 31.700 0.002 0.000 0.898 45 M N 1.169 120.766 119.600 -0.006 0.000 2.240 45 M HA 0.288 4.190 4.480 -0.963 0.000 0.333 45 M C -0.168 176.097 176.300 -0.059 0.000 1.110 45 M CA 0.295 55.584 55.300 -0.018 0.000 1.173 45 M CB 0.513 33.120 32.600 0.013 0.000 1.458 45 M HN -0.076 nan 8.290 nan 0.000 0.458 46 K N 3.333 123.673 120.400 -0.101 0.000 2.507 46 K HA 0.566 4.308 4.320 -0.963 0.000 0.253 46 K C -1.391 174.905 176.600 -0.506 0.000 0.969 46 K CA -0.245 55.920 56.287 -0.204 0.000 0.908 46 K CB 1.138 33.555 32.500 -0.137 0.000 1.127 46 K HN 0.773 nan 8.250 nan 0.000 0.437 47 A N 3.902 126.324 122.820 -0.664 0.000 2.484 47 A HA 0.375 4.117 4.320 -0.963 0.000 0.268 47 A C -0.553 176.417 177.584 -1.022 0.000 1.114 47 A CA 0.128 51.354 52.037 -1.351 0.000 0.780 47 A CB 0.037 18.653 19.000 -0.639 0.000 1.061 47 A HN 0.584 nan 8.150 nan 0.000 0.505 48 Q N 2.693 121.665 119.800 -1.380 0.000 2.406 48 Q HA 0.351 4.113 4.340 -0.963 0.000 0.244 48 Q C -0.971 174.849 176.000 -0.299 0.000 0.884 48 Q CA -0.345 55.151 55.803 -0.511 0.000 0.813 48 Q CB 0.308 28.896 28.738 -0.251 0.000 1.368 48 Q HN 0.711 nan 8.270 nan 0.000 0.439 49 W N 3.163 124.499 121.300 0.060 0.000 2.905 49 W HA 0.262 4.446 4.660 -0.793 0.000 0.251 49 W C 0.151 176.789 176.519 0.200 0.000 1.305 49 W CA -0.063 57.427 57.345 0.241 0.000 1.465 49 W CB 0.563 30.153 29.460 0.217 0.000 1.122 49 W HN 0.365 nan 8.180 nan 0.000 0.659 50 L N 1.013 122.402 121.223 0.278 0.000 2.265 50 L HA 0.137 3.899 4.340 -0.963 0.000 0.288 50 L C 1.834 178.777 176.870 0.120 0.000 1.058 50 L CA -0.267 54.687 54.840 0.190 0.000 0.809 50 L CB 1.297 43.421 42.059 0.108 0.000 1.179 50 L HN -0.181 nan 8.230 nan 0.000 0.429 51 S N 3.304 119.077 115.700 0.121 0.000 2.365 51 S HA -0.174 3.718 4.470 -0.963 0.000 0.225 51 S C 1.847 176.465 174.600 0.030 0.000 1.039 51 S CA 2.043 60.290 58.200 0.078 0.000 1.033 51 S CB -0.142 63.105 63.200 0.078 0.000 0.887 51 S HN 0.955 nan 8.310 nan 0.000 0.447 52 G N 0.504 109.301 108.800 -0.005 0.000 2.471 52 G HA2 -0.002 3.380 3.960 -0.963 0.000 0.219 52 G HA3 -0.002 3.380 3.960 -0.963 0.000 0.219 52 G C 1.218 176.115 174.900 -0.006 0.000 1.125 52 G CA 0.630 45.711 45.100 -0.032 0.000 0.775 52 G HN 0.554 nan 8.290 nan 0.000 0.548 53 L N 0.289 121.514 121.223 0.004 0.000 2.616 53 L HA 0.250 4.012 4.340 -0.963 0.000 0.229 53 L C 1.150 178.028 176.870 0.013 0.000 1.110 53 L CA -0.146 54.706 54.840 0.019 0.000 0.884 53 L CB 0.431 42.505 42.059 0.026 0.000 1.115 53 L HN 0.142 nan 8.230 nan 0.000 0.481 54 S N 0.495 116.204 115.700 0.014 0.000 2.489 54 S HA 0.247 4.139 4.470 -0.963 0.000 0.277 54 S C 0.525 175.132 174.600 0.011 0.000 1.230 54 S CA -0.393 57.810 58.200 0.005 0.000 1.053 54 S CB 0.504 63.727 63.200 0.039 0.000 0.955 54 S HN 0.335 nan 8.310 nan 0.000 0.488 55 N N 2.778 121.479 118.700 0.002 0.000 2.159 55 N HA 0.141 4.303 4.740 -0.963 0.000 0.217 55 N C -1.292 174.219 175.510 0.002 0.000 1.223 55 N CA -0.209 52.847 53.050 0.010 0.000 0.896 55 N CB 0.573 39.069 38.487 0.015 0.000 1.064 55 N HN 0.527 nan 8.380 nan 0.000 0.518 56 D N 0.507 120.904 120.400 -0.006 0.000 2.373 56 D HA 0.368 4.430 4.640 -0.963 0.000 0.227 56 D C 0.750 177.027 176.300 -0.038 0.000 1.091 56 D CA -0.511 53.478 54.000 -0.018 0.000 0.840 56 D CB 1.263 42.049 40.800 -0.023 0.000 1.060 56 D HN 0.125 nan 8.370 nan 0.000 0.502 57 A N 2.994 125.780 122.820 -0.058 0.000 1.972 57 A HA -0.137 3.605 4.320 -0.963 0.000 0.219 57 A C 2.015 179.442 177.584 -0.261 0.000 1.169 57 A CA 1.649 53.624 52.037 -0.104 0.000 0.635 57 A CB -0.578 18.394 19.000 -0.047 0.000 0.810 57 A HN 0.632 nan 8.150 nan 0.000 0.446 58 T N -0.819 113.560 114.554 -0.293 0.000 2.652 58 T HA -0.157 3.615 4.350 -0.963 0.000 0.267 58 T C 1.626 175.993 174.700 -0.555 0.000 1.039 58 T CA 1.702 63.450 62.100 -0.587 0.000 1.153 58 T CB -0.412 68.277 68.868 -0.299 0.000 0.863 58 T HN 0.514 nan 8.240 nan 0.000 0.428 59 F N 2.068 121.773 119.950 -0.408 0.000 2.186 59 F HA 0.089 4.460 4.527 -0.260 0.000 0.299 59 F C 2.396 177.951 175.800 -0.409 0.000 1.090 59 F CA 0.684 58.432 58.000 -0.419 0.000 1.307 59 F CB -0.631 38.145 39.000 -0.374 0.000 1.019 59 F HN 0.138 nan 8.300 nan 0.000 0.489 60 A N -0.467 122.128 122.820 -0.375 0.000 1.917 60 A HA -0.226 3.516 4.320 -0.963 0.000 0.219 60 A C 2.223 179.563 177.584 -0.407 0.000 1.182 60 A CA 2.481 54.315 52.037 -0.338 0.000 0.633 60 A CB -1.435 17.481 19.000 -0.141 0.000 0.819 60 A HN 0.434 nan 8.150 nan 0.000 0.448 61 T N -0.285 114.013 114.554 -0.426 0.000 2.812 61 T HA -0.034 3.738 4.350 -0.963 0.000 0.264 61 T C 1.881 176.316 174.700 -0.442 0.000 1.042 61 T CA 1.542 63.462 62.100 -0.300 0.000 1.140 61 T CB -0.266 68.438 68.868 -0.273 0.000 0.870 61 T HN 0.444 nan 8.240 nan 0.000 0.445 62 M N 1.745 120.852 119.600 -0.821 0.000 2.358 62 M HA -0.058 3.844 4.480 -0.963 0.000 0.264 62 M C 2.356 178.158 176.300 -0.829 0.000 1.064 62 M CA 1.037 55.615 55.300 -1.204 0.000 1.093 62 M CB -0.450 31.489 32.600 -1.101 0.000 1.401 62 M HN 0.288 nan 8.290 nan 0.000 0.440 63 S N -0.061 115.089 115.700 -0.916 0.000 2.603 63 S HA 0.011 3.903 4.470 -0.963 0.000 0.229 63 S C 1.854 176.353 174.600 -0.168 0.000 0.972 63 S CA 0.568 58.420 58.200 -0.581 0.000 0.935 63 S CB -0.906 61.830 63.200 -0.773 0.000 0.769 63 S HN 0.533 nan 8.310 nan 0.000 0.536 64 G N 3.198 111.876 108.800 -0.203 0.000 2.553 64 G HA2 -0.198 3.184 3.960 -0.963 0.000 0.218 64 G HA3 -0.198 3.184 3.960 -0.963 0.000 0.218 64 G C -0.670 173.937 174.900 -0.488 0.000 1.195 64 G CA 1.149 46.205 45.100 -0.073 0.000 0.779 64 G HN 0.550 nan 8.290 nan 0.000 0.577 65 P HA 0.018 nan 4.420 nan 0.000 0.220 65 P C 1.793 178.700 177.300 -0.656 0.000 1.148 65 P CA 1.565 63.724 63.100 -1.568 0.000 0.803 65 P CB -0.343 30.000 31.700 -2.261 0.000 0.782 66 G N -1.691 106.929 108.800 -0.300 0.000 2.920 66 G HA2 0.265 3.647 3.960 -0.963 0.000 0.208 66 G HA3 0.265 3.647 3.960 -0.963 0.000 0.208 66 G C 1.036 176.059 174.900 0.204 0.000 1.159 66 G CA 0.441 45.661 45.100 0.199 0.000 0.784 66 G HN 0.397 nan 8.290 nan 0.000 0.535 67 G N -1.556 107.321 108.800 0.129 0.000 2.192 67 G HA2 0.257 3.639 3.960 -0.963 0.000 0.193 67 G HA3 0.257 3.639 3.960 -0.963 0.000 0.193 67 G C 0.948 175.979 174.900 0.219 0.000 0.999 67 G CA 0.580 45.802 45.100 0.204 0.000 0.659 67 G HN 1.787 nan 8.290 nan 0.000 0.503 68 G N 0.036 108.940 108.800 0.173 0.000 2.272 68 G HA2 0.031 3.413 3.960 -0.963 0.000 0.280 68 G HA3 0.031 3.413 3.960 -0.963 0.000 0.280 68 G C 0.508 175.498 174.900 0.151 0.000 1.067 68 G CA 1.066 46.241 45.100 0.126 0.000 0.902 68 G HN 1.906 nan 8.290 nan 0.000 0.500 69 Q N -1.133 118.800 119.800 0.222 0.000 2.487 69 Q HA -0.173 3.589 4.340 -0.963 0.000 0.279 69 Q C 0.427 176.596 176.000 0.283 0.000 1.228 69 Q CA 0.796 56.772 55.803 0.287 0.000 0.873 69 Q CB -1.120 27.735 28.738 0.194 0.000 1.260 69 Q HN 0.862 nan 8.270 nan 0.000 0.471 70 D N -2.599 117.975 120.400 0.289 0.000 2.716 70 D HA -0.138 3.924 4.640 -0.963 0.000 0.239 70 D C 0.525 176.932 176.300 0.177 0.000 1.125 70 D CA 1.486 55.633 54.000 0.244 0.000 0.681 70 D CB -1.451 39.536 40.800 0.312 0.000 1.070 70 D HN 0.635 nan 8.370 nan 0.000 0.432 71 G N -0.325 108.583 108.800 0.180 0.000 2.432 71 G HA2 0.304 3.686 3.960 -0.963 0.000 0.239 71 G HA3 0.304 3.686 3.960 -0.963 0.000 0.239 71 G C 1.313 176.250 174.900 0.062 0.000 1.291 71 G CA -0.409 44.778 45.100 0.145 0.000 0.863 71 G HN 0.310 nan 8.290 nan 0.000 0.560 72 L N 0.667 121.779 121.223 -0.185 0.000 2.470 72 L HA 0.303 4.065 4.340 -0.963 0.000 0.219 72 L C -0.069 176.566 176.870 -0.392 0.000 1.071 72 L CA 0.174 54.713 54.840 -0.503 0.000 0.850 72 L CB 0.045 41.430 42.059 -1.122 0.000 1.040 72 L HN 0.329 nan 8.230 nan 0.000 0.475 73 F N -0.922 119.186 119.950 0.264 0.000 2.495 73 F HA 0.446 4.398 4.527 -0.958 0.000 0.327 73 F C 0.115 176.256 175.800 0.568 0.000 1.103 73 F CA -1.265 56.917 58.000 0.303 0.000 0.949 73 F CB 0.920 40.093 39.000 0.288 0.000 1.142 73 F HN -0.302 nan 8.300 nan 0.000 0.457 74 F N 1.042 121.264 119.950 0.452 0.000 2.380 74 F HA 0.524 4.469 4.527 -0.969 0.000 0.325 74 F C 0.838 176.874 175.800 0.393 0.000 1.136 74 F CA -1.017 57.200 58.000 0.363 0.000 1.171 74 F CB 1.154 40.320 39.000 0.277 0.000 1.230 74 F HN 0.497 nan 8.300 nan 0.000 0.554 75 T N -1.730 113.078 114.554 0.424 0.000 2.887 75 T HA 0.542 4.314 4.350 -0.963 0.000 0.292 75 T C -0.686 174.086 174.700 0.121 0.000 1.087 75 T CA -0.984 61.274 62.100 0.264 0.000 1.009 75 T CB 2.093 71.077 68.868 0.194 0.000 1.203 75 T HN 0.417 nan 8.240 nan 0.000 0.518 76 D N 0.010 120.435 120.400 0.042 0.000 2.398 76 D HA 0.207 4.269 4.640 -0.963 0.000 0.264 76 D C 1.634 177.821 176.300 -0.188 0.000 1.263 76 D CA -0.013 53.958 54.000 -0.049 0.000 1.037 76 D CB 0.022 40.796 40.800 -0.043 0.000 1.101 76 D HN 0.603 nan 8.370 nan 0.000 0.551 77 S N -2.279 113.289 115.700 -0.219 0.000 2.507 77 S HA 0.050 3.942 4.470 -0.963 0.000 0.235 77 S C 1.674 175.903 174.600 -0.618 0.000 0.988 77 S CA 0.377 58.383 58.200 -0.323 0.000 0.944 77 S CB -0.721 62.363 63.200 -0.192 0.000 0.762 77 S HN 0.710 nan 8.310 nan 0.000 0.526 78 G N -0.563 107.915 108.800 -0.537 0.000 3.393 78 G HA2 0.457 3.839 3.960 -0.963 0.000 0.255 78 G HA3 0.457 3.839 3.960 -0.963 0.000 0.255 78 G C 0.122 174.809 174.900 -0.357 0.000 1.097 78 G CA -0.594 44.182 45.100 -0.538 0.000 0.780 78 G HN 0.406 nan 8.290 nan 0.000 0.540 79 F N -1.103 118.788 119.950 -0.098 0.000 2.884 79 F HA -0.168 3.779 4.527 -0.966 0.000 0.294 79 F C 0.957 176.667 175.800 -0.150 0.000 0.723 79 F CA 0.569 58.512 58.000 -0.096 0.000 1.294 79 F CB -1.734 37.217 39.000 -0.082 0.000 1.551 79 F HN 0.252 nan 8.300 nan 0.000 0.363 80 K N 1.233 121.622 120.400 -0.019 0.000 2.249 80 K HA 0.408 4.150 4.320 -0.963 0.000 0.280 80 K C 0.213 176.822 176.600 0.016 0.000 1.033 80 K CA -0.536 55.726 56.287 -0.041 0.000 0.946 80 K CB 0.421 32.919 32.500 -0.003 0.000 1.005 80 K HN -0.098 nan 8.250 nan 0.000 0.469 81 F N 4.851 124.889 119.950 0.147 0.000 2.602 81 F HA 0.074 4.020 4.527 -0.968 0.000 0.367 81 F C 0.836 176.707 175.800 0.117 0.000 1.126 81 F CA -0.030 58.053 58.000 0.139 0.000 1.321 81 F CB 0.056 39.095 39.000 0.064 0.000 1.094 81 F HN 0.370 nan 8.300 nan 0.000 0.594 82 I N -0.391 120.403 120.570 0.372 0.000 3.206 82 I HA 0.620 4.212 4.170 -0.963 0.000 0.313 82 I C -0.818 175.433 176.117 0.222 0.000 1.103 82 I CA -1.455 59.995 61.300 0.250 0.000 0.985 82 I CB 1.828 39.961 38.000 0.222 0.000 1.240 82 I HN 0.127 nan 8.210 nan 0.000 0.464 83 K N 1.073 121.558 120.400 0.141 0.000 2.087 83 K HA 0.581 4.323 4.320 -0.963 0.000 0.255 83 K C 0.537 177.167 176.600 0.051 0.000 0.988 83 K CA 0.013 56.338 56.287 0.063 0.000 0.915 83 K CB 1.017 33.529 32.500 0.021 0.000 1.043 83 K HN 1.131 nan 8.250 nan 0.000 0.457 84 G N -0.044 108.695 108.800 -0.102 0.000 2.192 84 G HA2 -0.182 3.200 3.960 -0.963 0.000 0.193 84 G HA3 -0.182 3.200 3.960 -0.963 0.000 0.193 84 G C 0.562 175.069 174.900 -0.655 0.000 0.999 84 G CA -0.067 44.917 45.100 -0.193 0.000 0.659 84 G HN 0.827 nan 8.290 nan 0.000 0.503 85 G N -0.149 108.070 108.800 -0.969 0.000 2.489 85 G HA2 0.614 3.996 3.960 -0.963 0.000 0.271 85 G HA3 0.614 3.996 3.960 -0.963 0.000 0.271 85 G C 1.562 175.826 174.900 -1.061 0.000 1.427 85 G CA 1.106 45.273 45.100 -1.554 0.000 1.057 85 G HN 1.231 nan 8.290 nan 0.000 0.532 86 A N -1.133 121.304 122.820 -0.639 0.000 1.978 86 A HA 0.416 4.158 4.320 -0.963 0.000 0.220 86 A C 1.436 178.650 177.584 -0.618 0.000 1.170 86 A CA 2.310 53.917 52.037 -0.716 0.000 0.636 86 A CB -0.571 18.321 19.000 -0.180 0.000 0.810 86 A HN 1.710 nan 8.150 nan 0.000 0.448 87 A N -1.206 121.356 122.820 -0.429 0.000 2.532 87 A HA 0.636 4.378 4.320 -0.963 0.000 0.290 87 A C -1.773 175.802 177.584 -0.015 0.000 1.143 87 A CA -0.709 51.174 52.037 -0.256 0.000 0.728 87 A CB 0.949 19.796 19.000 -0.256 0.000 1.317 87 A HN 0.107 nan 8.150 nan 0.000 0.414 88 D N -0.138 120.272 120.400 0.015 0.000 2.269 88 D HA 0.524 4.586 4.640 -0.963 0.000 0.244 88 D C -1.137 175.132 176.300 -0.051 0.000 0.992 88 D CA -0.120 53.886 54.000 0.011 0.000 0.894 88 D CB 2.132 42.889 40.800 -0.072 0.000 1.248 88 D HN 0.380 nan 8.370 nan 0.000 0.468 89 V N 0.301 120.019 119.914 -0.328 0.000 2.604 89 V HA 0.797 4.339 4.120 -0.963 0.000 0.305 89 V C -1.300 174.602 176.094 -0.319 0.000 1.043 89 V CA -0.455 61.543 62.300 -0.503 0.000 0.888 89 V CB 1.458 32.611 31.823 -1.117 0.000 0.995 89 V HN 0.697 nan 8.190 nan 0.000 0.429 90 A N 6.967 129.643 122.820 -0.241 0.000 2.371 90 A HA 0.866 4.608 4.320 -0.963 0.000 0.311 90 A C -1.251 176.255 177.584 -0.130 0.000 1.068 90 A CA -0.691 51.261 52.037 -0.142 0.000 0.744 90 A CB 1.400 20.342 19.000 -0.097 0.000 1.239 90 A HN 0.870 nan 8.150 nan 0.000 0.435 91 L N 1.635 122.816 121.223 -0.070 0.000 2.307 91 L HA 0.467 4.229 4.340 -0.963 0.000 0.284 91 L C -0.842 176.018 176.870 -0.018 0.000 1.023 91 L CA -0.598 54.221 54.840 -0.036 0.000 0.810 91 L CB 1.810 43.867 42.059 -0.003 0.000 1.231 91 L HN 0.807 nan 8.230 nan 0.000 0.423 92 D N 2.018 122.414 120.400 -0.006 0.000 2.462 92 D HA 0.138 4.200 4.640 -0.963 0.000 0.245 92 D C 0.756 177.059 176.300 0.005 0.000 1.122 92 D CA -0.505 53.491 54.000 -0.006 0.000 0.864 92 D CB 1.463 42.254 40.800 -0.015 0.000 1.098 92 D HN 0.444 nan 8.370 nan 0.000 0.541 93 K N 2.887 123.285 120.400 -0.003 0.000 2.044 93 K HA -0.188 3.554 4.320 -0.963 0.000 0.210 93 K C 1.063 177.660 176.600 -0.004 0.000 1.049 93 K CA 1.303 57.586 56.287 -0.008 0.000 0.927 93 K CB 0.199 32.688 32.500 -0.018 0.000 0.713 93 K HN 0.419 nan 8.250 nan 0.000 0.443 94 E N 0.312 120.507 120.200 -0.007 0.000 2.150 94 E HA -0.118 3.654 4.350 -0.963 0.000 0.193 94 E C 1.876 178.473 176.600 -0.005 0.000 0.985 94 E CA 1.574 57.969 56.400 -0.009 0.000 0.814 94 E CB 0.052 29.746 29.700 -0.011 0.000 0.752 94 E HN 0.506 nan 8.360 nan 0.000 0.466 95 S N -0.372 115.326 115.700 -0.003 0.000 2.539 95 S HA 0.156 4.048 4.470 -0.963 0.000 0.221 95 S C 0.429 175.037 174.600 0.012 0.000 0.987 95 S CA -0.367 57.830 58.200 -0.005 0.000 0.929 95 S CB 0.135 63.325 63.200 -0.018 0.000 0.832 95 S HN 0.078 nan 8.310 nan 0.000 0.492 96 K N 1.012 121.436 120.400 0.040 0.000 3.150 96 K HA -0.113 3.629 4.320 -0.963 0.000 0.267 96 K C -0.963 175.745 176.600 0.180 0.000 1.028 96 K CA 0.889 57.243 56.287 0.111 0.000 0.753 96 K CB -2.400 30.158 32.500 0.098 0.000 1.288 96 K HN 0.527 nan 8.250 nan 0.000 0.473 97 T N 0.005 114.635 114.554 0.128 0.000 2.893 97 T HA 0.595 4.367 4.350 -0.963 0.000 0.293 97 T C -0.629 174.120 174.700 0.082 0.000 1.027 97 T CA -0.451 61.671 62.100 0.038 0.000 0.988 97 T CB 1.865 70.698 68.868 -0.059 0.000 1.043 97 T HN 0.316 nan 8.240 nan 0.000 0.461 98 A N 2.246 125.094 122.820 0.046 0.000 2.292 98 A HA 0.691 4.433 4.320 -0.963 0.000 0.319 98 A C 0.135 177.608 177.584 -0.184 0.000 1.206 98 A CA -0.572 51.399 52.037 -0.109 0.000 0.835 98 A CB 0.359 19.198 19.000 -0.269 0.000 1.164 98 A HN 0.709 nan 8.150 nan 0.000 0.505 99 T N 3.203 117.647 114.554 -0.183 0.000 2.772 99 T HA 0.486 4.258 4.350 -0.963 0.000 0.288 99 T C -0.472 174.120 174.700 -0.180 0.000 0.994 99 T CA 0.068 62.076 62.100 -0.153 0.000 0.951 99 T CB 0.243 69.045 68.868 -0.110 0.000 0.933 99 T HN 0.372 nan 8.240 nan 0.000 0.447 100 I N 3.407 123.880 120.570 -0.161 0.000 2.312 100 I HA 0.282 3.874 4.170 -0.963 0.000 0.290 100 I C 0.545 176.588 176.117 -0.123 0.000 1.008 100 I CA -0.151 61.052 61.300 -0.161 0.000 1.226 100 I CB 1.422 39.239 38.000 -0.306 0.000 1.371 100 I HN 0.515 nan 8.210 nan 0.000 0.468 101 T N 7.422 121.916 114.554 -0.100 0.000 2.821 101 T HA 0.533 4.305 4.350 -0.963 0.000 0.307 101 T C 0.113 174.732 174.700 -0.135 0.000 1.034 101 T CA -0.539 61.500 62.100 -0.102 0.000 0.953 101 T CB 0.139 68.950 68.868 -0.095 0.000 0.968 101 T HN 0.225 nan 8.240 nan 0.000 0.462 102 L N 2.992 124.128 121.223 -0.145 0.000 2.426 102 L HA 0.393 4.155 4.340 -0.963 0.000 0.271 102 L C 1.223 177.964 176.870 -0.215 0.000 1.169 102 L CA -0.757 53.965 54.840 -0.196 0.000 0.836 102 L CB 0.403 42.366 42.059 -0.159 0.000 1.112 102 L HN 0.381 nan 8.230 nan 0.000 0.465 103 R N 1.697 122.008 120.500 -0.315 0.000 2.640 103 R HA -0.075 3.687 4.340 -0.963 0.000 0.270 103 R C 1.293 177.469 176.300 -0.208 0.000 1.024 103 R CA 0.078 55.984 56.100 -0.323 0.000 1.085 103 R CB 0.475 30.451 30.300 -0.539 0.000 0.963 103 R HN 0.543 nan 8.270 nan 0.000 0.426 104 K N 1.955 122.265 120.400 -0.151 0.000 2.089 104 K HA -0.219 3.523 4.320 -0.963 0.000 0.210 104 K C 0.484 177.038 176.600 -0.076 0.000 1.048 104 K CA 2.352 58.583 56.287 -0.094 0.000 0.926 104 K CB 0.070 32.529 32.500 -0.069 0.000 0.714 104 K HN 0.660 nan 8.250 nan 0.000 0.448 105 D N 0.363 120.717 120.400 -0.077 0.000 2.427 105 D HA 0.017 4.079 4.640 -0.963 0.000 0.224 105 D C -0.154 176.144 176.300 -0.004 0.000 1.157 105 D CA -0.398 53.592 54.000 -0.017 0.000 0.828 105 D CB -0.113 40.703 40.800 0.027 0.000 0.974 105 D HN 0.086 nan 8.370 nan 0.000 0.498 106 L N 1.017 122.180 121.223 -0.099 0.000 2.433 106 L HA 0.278 4.040 4.340 -0.963 0.000 0.275 106 L C -0.301 176.501 176.870 -0.113 0.000 1.128 106 L CA 0.397 55.170 54.840 -0.111 0.000 0.875 106 L CB 0.014 41.922 42.059 -0.252 0.000 1.171 106 L HN -0.090 nan 8.230 nan 0.000 0.463 107 K N 3.904 124.265 120.400 -0.065 0.000 2.395 107 K HA 0.364 4.106 4.320 -0.963 0.000 0.247 107 K C -1.166 175.332 176.600 -0.171 0.000 0.973 107 K CA -0.716 55.515 56.287 -0.092 0.000 0.828 107 K CB 1.391 33.907 32.500 0.025 0.000 1.272 107 K HN 0.440 nan 8.250 nan 0.000 0.439 108 W N 0.591 121.895 121.300 0.005 0.000 2.093 108 W HA -0.019 4.054 4.660 -0.979 0.000 0.352 108 W C 1.661 178.161 176.519 -0.032 0.000 1.294 108 W CA -0.100 57.236 57.345 -0.015 0.000 1.290 108 W CB 0.475 29.886 29.460 -0.082 0.000 1.149 108 W HN 0.698 nan 8.180 nan 0.000 0.606 109 S N -0.408 115.457 115.700 0.276 0.000 2.547 109 S HA -0.211 3.681 4.470 -0.963 0.000 0.235 109 S C 0.920 175.611 174.600 0.152 0.000 0.980 109 S CA 1.280 59.608 58.200 0.215 0.000 0.941 109 S CB -0.432 62.852 63.200 0.140 0.000 0.763 109 S HN 0.628 nan 8.310 nan 0.000 0.532 110 D N -0.092 120.302 120.400 -0.011 0.000 2.349 110 D HA 0.255 4.317 4.640 -0.963 0.000 0.214 110 D C 1.381 177.439 176.300 -0.404 0.000 1.063 110 D CA 0.522 54.457 54.000 -0.109 0.000 0.847 110 D CB -0.351 40.370 40.800 -0.132 0.000 0.933 110 D HN 0.499 nan 8.370 nan 0.000 0.513 111 G N 0.584 108.883 108.800 -0.835 0.000 2.217 111 G HA2 -0.294 3.088 3.960 -0.963 0.000 0.246 111 G HA3 -0.294 3.088 3.960 -0.963 0.000 0.246 111 G C 0.445 175.087 174.900 -0.431 0.000 0.990 111 G CA 0.348 44.674 45.100 -1.289 0.000 0.627 111 G HN 0.817 nan 8.290 nan 0.000 0.522 112 S N 0.711 116.311 115.700 -0.166 0.000 2.579 112 S HA 0.533 4.425 4.470 -0.963 0.000 0.275 112 S C 0.189 174.860 174.600 0.118 0.000 1.345 112 S CA -0.318 57.890 58.200 0.013 0.000 1.031 112 S CB 1.617 64.860 63.200 0.070 0.000 0.892 112 S HN 0.321 nan 8.310 nan 0.000 0.529 113 E N 1.101 121.363 120.200 0.104 0.000 2.373 113 E HA 0.211 3.983 4.350 -0.963 0.000 0.267 113 E C -0.444 176.241 176.600 0.142 0.000 1.032 113 E CA -0.275 56.168 56.400 0.072 0.000 0.889 113 E CB 1.192 30.915 29.700 0.037 0.000 0.984 113 E HN 0.514 nan 8.360 nan 0.000 0.425 114 V N 3.685 123.562 119.914 -0.061 0.000 2.461 114 V HA 0.191 3.733 4.120 -0.963 0.000 0.275 114 V C 0.710 176.813 176.094 0.015 0.000 1.047 114 V CA -0.104 62.143 62.300 -0.089 0.000 0.955 114 V CB 0.889 32.465 31.823 -0.413 0.000 0.988 114 V HN 0.790 nan 8.190 nan 0.000 0.471 115 T N 1.708 116.333 114.554 0.117 0.000 2.907 115 T HA 0.676 4.448 4.350 -0.963 0.000 0.290 115 T C 1.153 175.897 174.700 0.074 0.000 1.066 115 T CA -0.073 62.060 62.100 0.056 0.000 1.012 115 T CB 1.959 70.844 68.868 0.027 0.000 1.184 115 T HN 0.616 nan 8.240 nan 0.000 0.522 116 A N 0.818 123.643 122.820 0.008 0.000 1.958 116 A HA -0.143 3.599 4.320 -0.963 0.000 0.221 116 A C 2.179 179.780 177.584 0.030 0.000 1.178 116 A CA 2.491 54.566 52.037 0.063 0.000 0.642 116 A CB -1.078 17.928 19.000 0.009 0.000 0.816 116 A HN 0.871 nan 8.150 nan 0.000 0.453 117 K N 0.308 120.583 120.400 -0.208 0.000 2.147 117 K HA -0.146 3.596 4.320 -0.963 0.000 0.205 117 K C 1.220 177.890 176.600 0.117 0.000 1.049 117 K CA 1.852 58.025 56.287 -0.190 0.000 0.936 117 K CB -0.371 31.949 32.500 -0.300 0.000 0.722 117 K HN 0.457 nan 8.250 nan 0.000 0.446 118 D N -0.844 119.710 120.400 0.257 0.000 2.178 118 D HA -0.170 3.892 4.640 -0.963 0.000 0.201 118 D C 1.618 178.213 176.300 0.491 0.000 0.980 118 D CA 0.954 55.229 54.000 0.458 0.000 0.842 118 D CB -0.234 40.920 40.800 0.590 0.000 0.948 118 D HN 0.280 nan 8.370 nan 0.000 0.472 119 Y N 1.751 122.234 120.300 0.304 0.000 2.184 119 Y HA -0.111 3.858 4.550 -0.968 0.000 0.290 119 Y C 2.196 178.352 175.900 0.427 0.000 1.129 119 Y CA 1.314 59.608 58.100 0.323 0.000 1.144 119 Y CB -0.062 38.561 38.460 0.272 0.000 0.995 119 Y HN -0.172 nan 8.280 nan 0.000 0.513 120 E N -0.224 120.173 120.200 0.328 0.000 2.118 120 E HA -0.256 3.516 4.350 -0.963 0.000 0.195 120 E C 2.114 178.871 176.600 0.262 0.000 0.992 120 E CA 1.305 57.847 56.400 0.237 0.000 0.804 120 E CB -0.629 29.291 29.700 0.367 0.000 0.741 120 E HN 0.501 nan 8.360 nan 0.000 0.458 121 F N 1.771 121.784 119.950 0.104 0.000 2.234 121 F HA -0.127 3.821 4.527 -0.964 0.000 0.299 121 F C 2.248 178.086 175.800 0.063 0.000 1.087 121 F CA 1.700 59.749 58.000 0.083 0.000 1.340 121 F CB -0.657 38.432 39.000 0.148 0.000 1.031 121 F HN -0.054 nan 8.300 nan 0.000 0.500 122 T N -0.116 114.444 114.554 0.010 0.000 2.665 122 T HA -0.298 3.474 4.350 -0.963 0.000 0.268 122 T C 1.726 176.285 174.700 -0.234 0.000 1.035 122 T CA 2.274 64.269 62.100 -0.175 0.000 1.151 122 T CB -0.819 67.959 68.868 -0.151 0.000 0.862 122 T HN 0.368 nan 8.240 nan 0.000 0.438 123 Y N 1.599 121.798 120.300 -0.168 0.000 2.165 123 Y HA -0.132 3.844 4.550 -0.958 0.000 0.286 123 Y C 2.620 178.501 175.900 -0.031 0.000 1.155 123 Y CA 1.214 59.258 58.100 -0.094 0.000 1.164 123 Y CB -0.311 38.080 38.460 -0.115 0.000 0.978 123 Y HN 0.367 nan 8.280 nan 0.000 0.513 124 E N -0.611 119.628 120.200 0.065 0.000 2.106 124 E HA -0.180 3.592 4.350 -0.963 0.000 0.192 124 E C 2.241 178.792 176.600 -0.081 0.000 0.984 124 E CA 1.738 58.237 56.400 0.166 0.000 0.806 124 E CB -0.387 29.471 29.700 0.264 0.000 0.750 124 E HN 0.584 nan 8.360 nan 0.000 0.458 125 T N -0.477 113.715 114.554 -0.603 0.000 2.881 125 T HA -0.113 3.659 4.350 -0.963 0.000 0.270 125 T C 1.892 176.449 174.700 -0.238 0.000 1.068 125 T CA 0.876 62.447 62.100 -0.882 0.000 1.131 125 T CB -0.188 68.185 68.868 -0.825 0.000 0.871 125 T HN 0.081 nan 8.240 nan 0.000 0.479 126 I N 0.530 121.068 120.570 -0.053 0.000 2.628 126 I HA 0.256 3.848 4.170 -0.963 0.000 0.255 126 I C 2.963 179.254 176.117 0.290 0.000 1.119 126 I CA 0.748 62.109 61.300 0.102 0.000 1.448 126 I CB -0.198 37.829 38.000 0.044 0.000 1.133 126 I HN 0.329 nan 8.210 nan 0.000 0.438 127 A N -0.016 123.035 122.820 0.384 0.000 1.997 127 A HA 0.019 3.761 4.320 -0.963 0.000 0.212 127 A C 1.168 179.009 177.584 0.428 0.000 1.178 127 A CA 0.295 52.633 52.037 0.502 0.000 0.698 127 A CB -0.257 19.151 19.000 0.679 0.000 0.842 127 A HN 0.337 nan 8.150 nan 0.000 0.458 128 N N 0.972 119.934 118.700 0.436 0.000 2.405 128 N HA 0.184 4.346 4.740 -0.963 0.000 0.260 128 N C -2.214 173.427 175.510 0.218 0.000 1.152 128 N CA -2.008 51.181 53.050 0.233 0.000 0.948 128 N CB 1.190 39.928 38.487 0.419 0.000 1.111 128 N HN -0.023 nan 8.380 nan 0.000 0.485 129 P HA -0.030 nan 4.420 nan 0.000 0.228 129 P C 0.746 178.052 177.300 0.010 0.000 1.151 129 P CA 0.629 63.745 63.100 0.027 0.000 0.770 129 P CB 0.162 31.804 31.700 -0.096 0.000 0.786 130 A N -1.197 121.585 122.820 -0.062 0.000 2.019 130 A HA -0.206 3.536 4.320 -0.963 0.000 0.219 130 A C 1.685 179.168 177.584 -0.169 0.000 1.164 130 A CA 1.322 53.261 52.037 -0.164 0.000 0.644 130 A CB -1.707 17.122 19.000 -0.284 0.000 0.805 130 A HN 0.187 nan 8.150 nan 0.000 0.449 131 Y N -0.955 119.365 120.300 0.034 0.000 2.516 131 Y HA 0.275 4.248 4.550 -0.960 0.000 0.291 131 Y C 1.972 177.890 175.900 0.029 0.000 1.131 131 Y CA 0.484 58.605 58.100 0.036 0.000 1.281 131 Y CB -0.215 38.266 38.460 0.034 0.000 1.013 131 Y HN 0.448 nan 8.280 nan 0.000 0.554 132 G N 0.390 109.288 108.800 0.163 0.000 2.147 132 G HA2 -0.309 3.073 3.960 -0.963 0.000 0.244 132 G HA3 -0.309 3.073 3.960 -0.963 0.000 0.244 132 G C 0.320 175.288 174.900 0.113 0.000 1.005 132 G CA 0.328 45.492 45.100 0.106 0.000 0.713 132 G HN 0.391 nan 8.290 nan 0.000 0.515 133 S N -0.566 115.219 115.700 0.143 0.000 2.568 133 S HA 0.364 4.256 4.470 -0.963 0.000 0.282 133 S C 1.032 175.704 174.600 0.120 0.000 1.338 133 S CA 0.446 58.716 58.200 0.117 0.000 1.045 133 S CB 0.529 63.801 63.200 0.119 0.000 0.873 133 S HN 0.221 nan 8.310 nan 0.000 0.516 134 D N 2.862 123.320 120.400 0.096 0.000 2.349 134 D HA 0.145 4.207 4.640 -0.963 0.000 0.214 134 D C 1.056 177.420 176.300 0.107 0.000 1.063 134 D CA 0.197 54.258 54.000 0.101 0.000 0.847 134 D CB 0.191 41.036 40.800 0.076 0.000 0.933 134 D HN 0.527 nan 8.370 nan 0.000 0.513 135 R N -0.225 120.336 120.500 0.102 0.000 2.359 135 R HA 0.061 3.823 4.340 -0.963 0.000 0.231 135 R C 0.677 177.014 176.300 0.061 0.000 0.913 135 R CA -0.434 55.700 56.100 0.058 0.000 1.075 135 R CB 0.526 30.836 30.300 0.016 0.000 1.087 135 R HN 0.186 nan 8.270 nan 0.000 0.515 136 W N 3.430 124.703 121.300 -0.046 0.000 2.257 136 W HA -0.027 4.055 4.660 -0.965 0.000 0.337 136 W C -0.374 176.090 176.519 -0.090 0.000 1.321 136 W CA 1.045 58.324 57.345 -0.110 0.000 1.267 136 W CB 0.600 29.943 29.460 -0.195 0.000 1.187 136 W HN -0.032 nan 8.180 nan 0.000 0.565 137 T N 1.946 115.984 114.554 -0.860 0.000 2.916 137 T HA 0.156 3.928 4.350 -0.963 0.000 0.292 137 T C 0.520 174.673 174.700 -0.913 0.000 1.055 137 T CA -0.720 60.996 62.100 -0.639 0.000 1.009 137 T CB 1.827 70.436 68.868 -0.431 0.000 1.118 137 T HN 0.348 nan 8.240 nan 0.000 0.497 138 D N 1.001 121.167 120.400 -0.389 0.000 2.221 138 D HA -0.060 4.002 4.640 -0.963 0.000 0.204 138 D C 2.081 178.245 176.300 -0.227 0.000 0.982 138 D CA 1.133 55.018 54.000 -0.191 0.000 0.857 138 D CB -0.276 40.494 40.800 -0.050 0.000 0.934 138 D HN 0.554 nan 8.370 nan 0.000 0.475 139 S N 0.053 115.561 115.700 -0.321 0.000 2.400 139 S HA -0.080 3.812 4.470 -0.963 0.000 0.232 139 S C 2.062 176.574 174.600 -0.147 0.000 1.025 139 S CA 0.460 58.503 58.200 -0.262 0.000 0.993 139 S CB -0.108 62.728 63.200 -0.607 0.000 0.808 139 S HN 0.322 nan 8.310 nan 0.000 0.478 140 L N 1.021 122.005 121.223 -0.399 0.000 2.275 140 L HA -0.038 3.724 4.340 -0.963 0.000 0.215 140 L C 2.590 179.404 176.870 -0.094 0.000 1.119 140 L CA 0.763 55.407 54.840 -0.328 0.000 0.790 140 L CB -0.636 40.947 42.059 -0.794 0.000 0.919 140 L HN 0.308 nan 8.230 nan 0.000 0.443 141 A N 0.313 123.105 122.820 -0.048 0.000 2.125 141 A HA -0.239 3.503 4.320 -0.963 0.000 0.219 141 A C 1.953 179.653 177.584 0.193 0.000 1.156 141 A CA 1.835 54.001 52.037 0.214 0.000 0.671 141 A CB -0.707 18.444 19.000 0.252 0.000 0.794 141 A HN 0.492 nan 8.150 nan 0.000 0.459 142 N N -0.364 118.453 118.700 0.196 0.000 2.494 142 N HA 0.030 4.192 4.740 -0.963 0.000 0.182 142 N C 0.170 175.861 175.510 0.302 0.000 1.076 142 N CA 0.207 53.402 53.050 0.241 0.000 0.908 142 N CB -0.372 38.281 38.487 0.276 0.000 0.967 142 N HN 0.500 nan 8.380 nan 0.000 0.449 143 I N 1.257 121.989 120.570 0.269 0.000 2.396 143 I HA 0.045 3.637 4.170 -0.963 0.000 0.289 143 I C 0.052 176.213 176.117 0.073 0.000 1.056 143 I CA -0.718 60.661 61.300 0.132 0.000 1.365 143 I CB 1.188 39.236 38.000 0.079 0.000 1.407 143 I HN -0.201 nan 8.210 nan 0.000 0.509 144 V N 6.947 126.860 119.914 -0.002 0.000 2.584 144 V HA 0.028 3.570 4.120 -0.963 0.000 0.303 144 V C 1.380 177.478 176.094 0.006 0.000 1.035 144 V CA 1.542 63.844 62.300 0.004 0.000 1.172 144 V CB 0.137 31.937 31.823 -0.038 0.000 0.896 144 V HN 1.190 nan 8.190 nan 0.000 0.486 145 G N 3.744 112.576 108.800 0.054 0.000 2.234 145 G HA2 -0.284 3.098 3.960 -0.963 0.000 0.260 145 G HA3 -0.284 3.098 3.960 -0.963 0.000 0.260 145 G C 0.576 175.562 174.900 0.143 0.000 0.987 145 G CA 0.495 45.638 45.100 0.071 0.000 0.625 145 G HN 0.722 nan 8.290 nan 0.000 0.532 146 L N 1.439 122.771 121.223 0.181 0.000 2.131 146 L HA 0.318 4.080 4.340 -0.963 0.000 0.206 146 L C 2.695 179.825 176.870 0.432 0.000 1.087 146 L CA 2.881 57.907 54.840 0.310 0.000 0.767 146 L CB -0.699 41.557 42.059 0.329 0.000 0.917 146 L HN 0.226 nan 8.230 nan 0.000 0.441 147 S N -0.137 115.796 115.700 0.389 0.000 2.370 147 S HA -0.188 3.704 4.470 -0.963 0.000 0.226 147 S C 1.547 176.263 174.600 0.193 0.000 1.033 147 S CA 1.493 59.896 58.200 0.338 0.000 1.011 147 S CB -0.394 62.979 63.200 0.287 0.000 0.852 147 S HN 0.513 nan 8.310 nan 0.000 0.457 148 D N -0.169 120.333 120.400 0.170 0.000 2.178 148 D HA -0.062 4.000 4.640 -0.963 0.000 0.202 148 D C 1.552 177.920 176.300 0.114 0.000 0.974 148 D CA 0.737 54.801 54.000 0.108 0.000 0.841 148 D CB -0.291 40.567 40.800 0.098 0.000 0.953 148 D HN 0.476 nan 8.370 nan 0.000 0.478 149 Y N 0.586 120.930 120.300 0.073 0.000 2.145 149 Y HA -0.251 3.720 4.550 -0.964 0.000 0.286 149 Y C 2.427 178.355 175.900 0.046 0.000 1.145 149 Y CA 1.969 60.113 58.100 0.073 0.000 1.148 149 Y CB -0.472 38.056 38.460 0.114 0.000 0.981 149 Y HN 0.072 nan 8.280 nan 0.000 0.507 150 H N -0.436 118.585 119.070 -0.083 0.000 2.421 150 H HA -0.099 3.879 4.556 -0.963 0.000 0.298 150 H C 1.959 177.074 175.328 -0.355 0.000 1.087 150 H CA 2.125 57.965 56.048 -0.346 0.000 1.330 150 H CB -0.426 28.863 29.762 -0.788 0.000 1.388 150 H HN 0.410 nan 8.280 nan 0.000 0.526 151 T N -3.757 110.593 114.554 -0.341 0.000 3.107 151 T HA 0.229 4.001 4.350 -0.963 0.000 0.249 151 T C 1.691 176.246 174.700 -0.242 0.000 1.096 151 T CA 0.460 62.362 62.100 -0.331 0.000 1.012 151 T CB -0.245 68.511 68.868 -0.187 0.000 0.977 151 T HN 0.575 nan 8.240 nan 0.000 0.527 152 G N 1.981 110.634 108.800 -0.245 0.000 2.159 152 G HA2 -0.346 3.036 3.960 -0.963 0.000 0.256 152 G HA3 -0.346 3.036 3.960 -0.963 0.000 0.256 152 G C 0.669 175.502 174.900 -0.113 0.000 0.977 152 G CA 0.606 45.584 45.100 -0.205 0.000 0.652 152 G HN 0.675 nan 8.290 nan 0.000 0.531 153 K N 0.278 120.633 120.400 -0.075 0.000 2.228 153 K HA 0.506 4.248 4.320 -0.963 0.000 0.202 153 K C 1.183 177.786 176.600 0.006 0.000 1.051 153 K CA 1.309 57.579 56.287 -0.028 0.000 0.960 153 K CB -0.053 32.439 32.500 -0.013 0.000 0.743 153 K HN 0.938 nan 8.250 nan 0.000 0.458 154 A N 0.574 123.413 122.820 0.032 0.000 2.365 154 A HA 0.359 4.101 4.320 -0.963 0.000 0.318 154 A C -0.142 177.529 177.584 0.145 0.000 1.091 154 A CA -0.823 51.270 52.037 0.092 0.000 0.763 154 A CB 1.480 20.558 19.000 0.131 0.000 1.248 154 A HN 0.078 nan 8.150 nan 0.000 0.442 155 K N 0.353 120.843 120.400 0.151 0.000 2.361 155 K HA 0.053 3.795 4.320 -0.963 0.000 0.196 155 K C 0.565 177.371 176.600 0.342 0.000 1.039 155 K CA 1.423 57.828 56.287 0.197 0.000 1.001 155 K CB 0.151 32.723 32.500 0.121 0.000 0.795 155 K HN 0.921 nan 8.250 nan 0.000 0.495 156 T N -2.458 112.261 114.554 0.275 0.000 2.887 156 T HA 0.562 4.334 4.350 -0.963 0.000 0.292 156 T C -0.151 174.575 174.700 0.043 0.000 1.087 156 T CA -0.856 61.321 62.100 0.129 0.000 1.009 156 T CB 1.621 70.524 68.868 0.059 0.000 1.203 156 T HN -0.080 nan 8.240 nan 0.000 0.518 157 I N 3.007 123.480 120.570 -0.163 0.000 2.291 157 I HA 0.212 3.804 4.170 -0.963 0.000 0.290 157 I C 1.661 177.692 176.117 -0.143 0.000 1.050 157 I CA -0.656 60.544 61.300 -0.166 0.000 1.245 157 I CB 1.455 39.271 38.000 -0.307 0.000 1.405 157 I HN 0.948 nan 8.210 nan 0.000 0.478 158 S N 3.702 119.356 115.700 -0.076 0.000 2.402 158 S HA -0.092 3.800 4.470 -0.963 0.000 0.229 158 S C 1.882 176.397 174.600 -0.142 0.000 1.021 158 S CA 0.859 59.006 58.200 -0.087 0.000 0.974 158 S CB -0.313 62.864 63.200 -0.037 0.000 0.800 158 S HN 0.756 nan 8.310 nan 0.000 0.484 159 G N 0.817 109.524 108.800 -0.157 0.000 2.679 159 G HA2 0.257 3.639 3.960 -0.963 0.000 0.212 159 G HA3 0.257 3.639 3.960 -0.963 0.000 0.212 159 G C 0.416 175.127 174.900 -0.315 0.000 1.137 159 G CA -0.015 44.956 45.100 -0.215 0.000 0.787 159 G HN 0.569 nan 8.290 nan 0.000 0.534 160 I N 2.012 122.364 120.570 -0.364 0.000 2.355 160 I HA 0.324 3.916 4.170 -0.963 0.000 0.288 160 I C 0.066 175.800 176.117 -0.639 0.000 0.999 160 I CA -0.509 60.498 61.300 -0.487 0.000 1.163 160 I CB 1.852 39.531 38.000 -0.535 0.000 1.316 160 I HN -0.003 nan 8.210 nan 0.000 0.454 161 T N 1.987 116.159 114.554 -0.636 0.000 2.930 161 T HA 0.666 4.438 4.350 -0.963 0.000 0.290 161 T C -0.707 173.571 174.700 -0.705 0.000 1.052 161 T CA -0.655 61.046 62.100 -0.665 0.000 1.017 161 T CB 1.722 70.404 68.868 -0.310 0.000 1.137 161 T HN 0.135 nan 8.240 nan 0.000 0.511 162 F N 1.172 121.098 119.950 -0.040 0.000 2.443 162 F HA 0.435 4.383 4.527 -0.965 0.000 0.369 162 F C -1.928 173.856 175.800 -0.027 0.000 1.090 162 F CA -2.523 55.461 58.000 -0.026 0.000 1.129 162 F CB 1.089 40.079 39.000 -0.017 0.000 1.367 162 F HN 0.381 nan 8.300 nan 0.000 0.465 163 P HA -0.179 nan 4.420 nan 0.000 0.217 163 P C 0.291 177.625 177.300 0.057 0.000 1.151 163 P CA 1.610 64.737 63.100 0.045 0.000 0.849 163 P CB 0.293 32.002 31.700 0.015 0.000 0.787 164 D N -1.414 119.031 120.400 0.076 0.000 2.670 164 D HA 0.344 4.406 4.640 -0.963 0.000 0.255 164 D C 0.945 177.272 176.300 0.045 0.000 1.286 164 D CA 0.302 54.330 54.000 0.046 0.000 0.830 164 D CB 0.343 41.156 40.800 0.022 0.000 1.065 164 D HN 0.103 nan 8.370 nan 0.000 0.486 165 G N 1.323 110.178 108.800 0.092 0.000 2.795 165 G HA2 -0.272 3.110 3.960 -0.963 0.000 0.664 165 G HA3 -0.272 3.110 3.960 -0.963 0.000 0.664 165 G C 0.628 175.450 174.900 -0.130 0.000 1.381 165 G CA -0.577 44.547 45.100 0.040 0.000 0.853 165 G HN 0.162 nan 8.290 nan 0.000 0.545 166 E N 0.082 120.093 120.200 -0.315 0.000 2.204 166 E HA -0.106 3.666 4.350 -0.963 0.000 0.194 166 E C 1.978 178.376 176.600 -0.337 0.000 0.989 166 E CA 1.437 57.456 56.400 -0.635 0.000 0.824 166 E CB -0.042 29.365 29.700 -0.489 0.000 0.756 166 E HN 0.508 nan 8.360 nan 0.000 0.477 167 N N -0.012 118.588 118.700 -0.167 0.000 2.280 167 N HA 0.052 4.214 4.740 -0.963 0.000 0.192 167 N C 0.433 175.909 175.510 -0.056 0.000 1.109 167 N CA -0.016 52.984 53.050 -0.082 0.000 0.855 167 N CB 0.927 39.387 38.487 -0.045 0.000 0.974 167 N HN 0.006 nan 8.380 nan 0.000 0.482 168 G N 0.210 108.972 108.800 -0.063 0.000 2.535 168 G HA2 0.108 3.490 3.960 -0.963 0.000 0.282 168 G HA3 0.108 3.490 3.960 -0.963 0.000 0.282 168 G C 0.647 175.534 174.900 -0.021 0.000 1.350 168 G CA -0.263 44.821 45.100 -0.027 0.000 1.039 168 G HN 0.024 nan 8.290 nan 0.000 0.509 169 K N -1.134 119.259 120.400 -0.012 0.000 2.402 169 K HA 0.259 4.001 4.320 -0.963 0.000 0.204 169 K C -0.150 176.442 176.600 -0.013 0.000 1.056 169 K CA 0.057 56.329 56.287 -0.025 0.000 1.069 169 K CB 1.228 33.697 32.500 -0.052 0.000 0.888 169 K HN 0.165 nan 8.250 nan 0.000 0.546 170 V N 2.070 122.000 119.914 0.028 0.000 2.628 170 V HA 0.481 4.023 4.120 -0.963 0.000 0.306 170 V C -0.517 175.650 176.094 0.121 0.000 1.045 170 V CA -0.992 61.327 62.300 0.031 0.000 0.905 170 V CB 1.872 33.700 31.823 0.009 0.000 0.997 170 V HN -0.041 nan 8.190 nan 0.000 0.436 171 I N 3.759 124.376 120.570 0.079 0.000 2.533 171 I HA 0.497 4.089 4.170 -0.963 0.000 0.290 171 I C -0.215 175.885 176.117 -0.027 0.000 1.056 171 I CA -0.453 60.916 61.300 0.114 0.000 1.057 171 I CB 1.938 40.101 38.000 0.271 0.000 1.240 171 I HN 0.416 nan 8.210 nan 0.000 0.423 172 K N 4.544 124.879 120.400 -0.109 0.000 2.206 172 K HA 0.780 4.522 4.320 -0.963 0.000 0.264 172 K C -1.262 175.192 176.600 -0.242 0.000 0.967 172 K CA -0.798 55.392 56.287 -0.162 0.000 0.844 172 K CB 2.382 34.791 32.500 -0.150 0.000 1.099 172 K HN 0.315 nan 8.250 nan 0.000 0.441 173 V N 3.198 122.938 119.914 -0.290 0.000 2.444 173 V HA 0.180 3.722 4.120 -0.963 0.000 0.294 173 V C -0.546 175.130 176.094 -0.697 0.000 1.022 173 V CA -0.833 61.187 62.300 -0.467 0.000 0.850 173 V CB 1.440 33.008 31.823 -0.424 0.000 0.992 173 V HN 0.669 nan 8.190 nan 0.000 0.426 174 Q N 3.820 123.262 119.800 -0.596 0.000 2.271 174 Q HA 0.634 4.396 4.340 -0.963 0.000 0.258 174 Q C -1.455 174.227 176.000 -0.529 0.000 0.936 174 Q CA -0.071 55.457 55.803 -0.460 0.000 0.909 174 Q CB 1.187 29.783 28.738 -0.237 0.000 1.253 174 Q HN 0.532 nan 8.270 nan 0.000 0.440 175 F N 1.801 121.741 119.950 -0.017 0.000 2.483 175 F HA 0.441 4.389 4.527 -0.965 0.000 0.329 175 F C 1.160 176.956 175.800 -0.006 0.000 1.064 175 F CA -0.791 57.211 58.000 0.003 0.000 0.986 175 F CB 1.345 40.344 39.000 -0.001 0.000 1.218 175 F HN 0.580 nan 8.300 nan 0.000 0.484 176 K N -0.005 120.519 120.400 0.206 0.000 2.062 176 K HA 0.024 3.766 4.320 -0.963 0.000 0.205 176 K C -0.187 176.461 176.600 0.080 0.000 1.051 176 K CA 1.111 57.464 56.287 0.109 0.000 0.941 176 K CB 0.111 32.666 32.500 0.092 0.000 0.719 176 K HN 0.440 nan 8.250 nan 0.000 0.440 177 E N 0.094 120.335 120.200 0.069 0.000 2.331 177 E HA 0.239 4.011 4.350 -0.963 0.000 0.275 177 E C -0.656 175.871 176.600 -0.123 0.000 0.895 177 E CA -0.531 55.855 56.400 -0.025 0.000 0.753 177 E CB 1.700 31.361 29.700 -0.064 0.000 1.216 177 E HN -0.067 nan 8.360 nan 0.000 0.434 178 M N 1.303 120.817 119.600 -0.145 0.000 2.255 178 M HA 0.340 4.242 4.480 -0.963 0.000 0.336 178 M C 0.050 176.157 176.300 -0.321 0.000 1.135 178 M CA -0.174 54.971 55.300 -0.258 0.000 1.145 178 M CB 0.151 32.664 32.600 -0.145 0.000 1.473 178 M HN 0.134 nan 8.290 nan 0.000 0.462 179 K N 2.502 122.654 120.400 -0.414 0.000 2.427 179 K HA 0.387 4.129 4.320 -0.963 0.000 0.252 179 K C -2.019 174.456 176.600 -0.208 0.000 0.931 179 K CA -1.569 54.484 56.287 -0.390 0.000 0.793 179 K CB 1.980 34.023 32.500 -0.762 0.000 1.211 179 K HN 0.220 nan 8.250 nan 0.000 0.426 180 P HA -0.115 nan 4.420 nan 0.000 0.222 180 P C 1.104 178.428 177.300 0.039 0.000 1.147 180 P CA 0.904 63.990 63.100 -0.023 0.000 0.790 180 P CB 0.223 31.918 31.700 -0.009 0.000 0.780 181 G N -0.288 108.525 108.800 0.021 0.000 2.625 181 G HA2 -0.154 3.228 3.960 -0.963 0.000 0.214 181 G HA3 -0.154 3.228 3.960 -0.963 0.000 0.214 181 G C 1.398 176.384 174.900 0.144 0.000 1.132 181 G CA 0.081 45.232 45.100 0.086 0.000 0.782 181 G HN 0.214 nan 8.290 nan 0.000 0.538 182 M N 1.285 120.968 119.600 0.139 0.000 2.539 182 M HA -0.041 3.861 4.480 -0.963 0.000 0.261 182 M C 2.458 179.026 176.300 0.447 0.000 1.069 182 M CA 1.452 56.930 55.300 0.297 0.000 1.081 182 M CB -0.100 32.626 32.600 0.210 0.000 1.412 182 M HN 0.312 nan 8.290 nan 0.000 0.482 183 T N -3.034 111.702 114.554 0.303 0.000 3.129 183 T HA 0.106 3.878 4.350 -0.963 0.000 0.251 183 T C 0.662 175.408 174.700 0.076 0.000 1.117 183 T CA -0.041 62.262 62.100 0.338 0.000 1.034 183 T CB 0.124 69.133 68.868 0.235 0.000 0.968 183 T HN 0.137 nan 8.240 nan 0.000 0.526 184 Q N 1.933 121.715 119.800 -0.030 0.000 2.271 184 Q HA 0.452 4.214 4.340 -0.963 0.000 0.258 184 Q C -0.245 175.427 176.000 -0.547 0.000 0.936 184 Q CA -0.228 55.442 55.803 -0.222 0.000 0.909 184 Q CB 1.939 30.713 28.738 0.060 0.000 1.253 184 Q HN 0.341 nan 8.270 nan 0.000 0.440 185 S N 0.706 115.901 115.700 -0.841 0.000 2.558 185 S HA 0.278 4.170 4.470 -0.963 0.000 0.288 185 S C 1.054 175.567 174.600 -0.145 0.000 1.318 185 S CA 1.252 59.189 58.200 -0.438 0.000 1.056 185 S CB 0.032 63.154 63.200 -0.130 0.000 0.853 185 S HN 0.901 nan 8.310 nan 0.000 0.505 186 G N 3.827 112.594 108.800 -0.055 0.000 2.136 186 G HA2 -0.322 3.060 3.960 -0.963 0.000 0.242 186 G HA3 -0.322 3.060 3.960 -0.963 0.000 0.242 186 G C 0.440 175.261 174.900 -0.131 0.000 0.989 186 G CA 0.809 45.856 45.100 -0.087 0.000 0.682 186 G HN 1.013 nan 8.290 nan 0.000 0.522 187 N N -0.385 118.229 118.700 -0.142 0.000 2.309 187 N HA 0.292 4.455 4.740 -0.963 0.000 0.182 187 N C 2.021 177.338 175.510 -0.322 0.000 1.018 187 N CA 1.854 54.817 53.050 -0.144 0.000 0.876 187 N CB -0.349 38.137 38.487 -0.002 0.000 0.972 187 N HN 1.634 nan 8.380 nan 0.000 0.434 188 G N -1.236 107.373 108.800 -0.319 0.000 2.184 188 G HA2 -0.356 3.026 3.960 -0.963 0.000 0.264 188 G HA3 -0.356 3.026 3.960 -0.963 0.000 0.264 188 G C 0.535 175.198 174.900 -0.396 0.000 0.975 188 G CA 0.684 45.561 45.100 -0.372 0.000 0.642 188 G HN 0.442 nan 8.290 nan 0.000 0.536 189 Y N -0.075 120.158 120.300 -0.112 0.000 2.420 189 Y HA 0.418 4.391 4.550 -0.962 0.000 0.292 189 Y C 1.433 177.553 175.900 0.367 0.000 1.119 189 Y CA 1.059 59.191 58.100 0.053 0.000 1.229 189 Y CB -0.022 38.417 38.460 -0.036 0.000 1.026 189 Y HN 0.545 nan 8.280 nan 0.000 0.554 190 F N -2.262 117.929 119.950 0.402 0.000 2.613 190 F HA 0.701 4.650 4.527 -0.963 0.000 0.314 190 F C -1.289 174.713 175.800 0.336 0.000 1.075 190 F CA -2.283 56.009 58.000 0.487 0.000 0.945 190 F CB 0.764 40.144 39.000 0.633 0.000 1.310 190 F HN -0.403 nan 8.300 nan 0.000 0.467 191 L N 1.015 122.490 121.223 0.421 0.000 2.416 191 L HA 0.498 4.260 4.340 -0.963 0.000 0.262 191 L C 0.190 177.395 176.870 0.558 0.000 1.093 191 L CA -0.521 54.413 54.840 0.157 0.000 0.801 191 L CB 1.394 43.219 42.059 -0.390 0.000 1.191 191 L HN 0.809 nan 8.230 nan 0.000 0.459 192 E N -0.169 120.269 120.200 0.397 0.000 2.758 192 E HA 0.116 3.888 4.350 -0.963 0.000 0.215 192 E C -0.610 176.111 176.600 0.202 0.000 0.985 192 E CA -0.072 56.603 56.400 0.458 0.000 1.102 192 E CB 1.079 31.085 29.700 0.510 0.000 1.042 192 E HN 0.752 nan 8.360 nan 0.000 0.480 193 T N -1.845 112.857 114.554 0.246 0.000 2.906 193 T HA 0.628 4.400 4.350 -0.963 0.000 0.295 193 T C -0.053 174.822 174.700 0.292 0.000 1.075 193 T CA -0.890 61.328 62.100 0.198 0.000 1.005 193 T CB 1.955 70.921 68.868 0.164 0.000 1.136 193 T HN -0.040 nan 8.240 nan 0.000 0.498 194 V N -1.269 118.824 119.914 0.298 0.000 2.769 194 V HA 1.005 4.547 4.120 -0.963 0.000 0.312 194 V C -0.113 176.323 176.094 0.571 0.000 1.058 194 V CA -1.252 61.301 62.300 0.422 0.000 0.952 194 V CB 0.913 32.946 31.823 0.349 0.000 1.019 194 V HN 1.483 nan 8.190 nan 0.000 0.445 195 A N 3.472 126.663 122.820 0.619 0.000 2.371 195 A HA 0.905 4.647 4.320 -0.963 0.000 0.311 195 A C -2.866 174.988 177.584 0.451 0.000 1.068 195 A CA -1.973 50.382 52.037 0.529 0.000 0.744 195 A CB 1.919 21.142 19.000 0.373 0.000 1.239 195 A HN 0.758 nan 8.150 nan 0.000 0.435 196 P HA 0.053 nan 4.420 nan 0.000 0.260 196 P C -0.008 177.183 177.300 -0.182 0.000 1.651 196 P CA 0.145 62.814 63.100 -0.719 0.000 1.139 196 P CB -0.016 30.777 31.700 -1.511 0.000 1.756 197 Y N 4.144 124.351 120.300 -0.154 0.000 2.165 197 Y HA -0.267 3.703 4.550 -0.966 0.000 0.286 197 Y C 2.164 177.874 175.900 -0.317 0.000 1.155 197 Y CA 1.943 59.760 58.100 -0.472 0.000 1.164 197 Y CB -0.309 37.868 38.460 -0.470 0.000 0.978 197 Y HN 0.189 nan 8.280 nan 0.000 0.513 198 Q N -1.278 118.374 119.800 -0.247 0.000 2.226 198 Q HA -0.224 3.538 4.340 -0.963 0.000 0.204 198 Q C 2.036 177.906 176.000 -0.216 0.000 0.975 198 Q CA 1.552 57.205 55.803 -0.251 0.000 0.866 198 Q CB -0.779 27.912 28.738 -0.080 0.000 0.915 198 Q HN 0.685 nan 8.270 nan 0.000 0.440 199 Y N 0.165 120.253 120.300 -0.352 0.000 2.395 199 Y HA -0.028 3.943 4.550 -0.965 0.000 0.293 199 Y C 1.618 177.371 175.900 -0.245 0.000 1.123 199 Y CA 0.948 58.875 58.100 -0.288 0.000 1.227 199 Y CB 0.230 38.490 38.460 -0.334 0.000 1.012 199 Y HN -0.010 nan 8.280 nan 0.000 0.552 200 L N -0.027 121.041 121.223 -0.257 0.000 2.731 200 L HA 0.075 3.837 4.340 -0.963 0.000 0.240 200 L C 2.000 178.719 176.870 -0.251 0.000 1.120 200 L CA 0.112 54.832 54.840 -0.200 0.000 0.913 200 L CB -0.059 42.041 42.059 0.069 0.000 1.213 200 L HN 0.018 nan 8.230 nan 0.000 0.515 201 K N -0.640 119.440 120.400 -0.535 0.000 2.280 201 K HA -0.124 3.618 4.320 -0.963 0.000 0.202 201 K C 0.411 176.859 176.600 -0.254 0.000 1.047 201 K CA 1.360 57.262 56.287 -0.643 0.000 0.942 201 K CB -0.028 31.802 32.500 -1.118 0.000 0.739 201 K HN 0.160 nan 8.250 nan 0.000 0.457 202 D N 1.139 121.419 120.400 -0.201 0.000 2.369 202 D HA 0.070 4.132 4.640 -0.963 0.000 0.211 202 D C -0.171 176.085 176.300 -0.075 0.000 1.077 202 D CA 0.035 53.965 54.000 -0.117 0.000 0.842 202 D CB 0.545 41.270 40.800 -0.125 0.000 0.947 202 D HN -0.036 nan 8.370 nan 0.000 0.509 203 V N 1.705 121.583 119.914 -0.060 0.000 2.530 203 V HA 0.367 3.909 4.120 -0.963 0.000 0.282 203 V C 0.787 176.902 176.094 0.035 0.000 1.048 203 V CA -1.114 61.178 62.300 -0.014 0.000 0.997 203 V CB 0.960 32.782 31.823 -0.001 0.000 0.987 203 V HN 0.101 nan 8.190 nan 0.000 0.477 204 A N 7.019 129.843 122.820 0.007 0.000 2.511 204 A HA 0.351 4.093 4.320 -0.963 0.000 0.242 204 A C -1.080 176.494 177.584 -0.018 0.000 1.069 204 A CA -0.802 51.228 52.037 -0.011 0.000 0.763 204 A CB -0.086 18.897 19.000 -0.029 0.000 1.001 204 A HN 0.735 nan 8.150 nan 0.000 0.498 205 P HA -0.256 nan 4.420 nan 0.000 0.216 205 P C 1.284 178.491 177.300 -0.155 0.000 1.157 205 P CA 2.179 65.057 63.100 -0.371 0.000 0.880 205 P CB 0.028 31.148 31.700 -0.967 0.000 0.791 206 K N -1.123 119.201 120.400 -0.126 0.000 2.360 206 K HA -0.125 3.618 4.320 -0.963 0.000 0.201 206 K C 0.752 177.351 176.600 -0.002 0.000 1.046 206 K CA 1.575 57.832 56.287 -0.050 0.000 0.945 206 K CB -0.543 31.925 32.500 -0.054 0.000 0.750 206 K HN 0.101 nan 8.250 nan 0.000 0.464 207 D N 0.511 120.915 120.400 0.007 0.000 2.369 207 D HA 0.007 4.069 4.640 -0.963 0.000 0.211 207 D C 1.503 177.834 176.300 0.052 0.000 1.077 207 D CA 0.007 54.019 54.000 0.021 0.000 0.842 207 D CB 0.314 41.117 40.800 0.004 0.000 0.947 207 D HN 0.094 nan 8.370 nan 0.000 0.509 208 L N 1.603 122.889 121.223 0.105 0.000 2.017 208 L HA -0.064 3.698 4.340 -0.963 0.000 0.208 208 L C 2.158 179.092 176.870 0.108 0.000 1.073 208 L CA 1.588 56.517 54.840 0.148 0.000 0.745 208 L CB -0.726 41.510 42.059 0.295 0.000 0.894 208 L HN -0.030 nan 8.230 nan 0.000 0.432 209 A N -1.309 121.570 122.820 0.099 0.000 1.972 209 A HA -0.175 3.567 4.320 -0.963 0.000 0.219 209 A C 2.303 179.906 177.584 0.033 0.000 1.169 209 A CA 1.851 53.924 52.037 0.061 0.000 0.635 209 A CB -0.820 18.211 19.000 0.051 0.000 0.810 209 A HN 0.639 nan 8.150 nan 0.000 0.446 210 S N -1.308 114.409 115.700 0.029 0.000 2.556 210 S HA 0.210 4.102 4.470 -0.963 0.000 0.216 210 S C 0.819 175.427 174.600 0.013 0.000 0.970 210 S CA 0.456 58.663 58.200 0.012 0.000 0.912 210 S CB -0.463 62.741 63.200 0.006 0.000 0.790 210 S HN 0.400 nan 8.310 nan 0.000 0.504 211 S N 2.888 118.601 115.700 0.022 0.000 2.562 211 S HA 0.266 4.159 4.470 -0.963 0.000 0.281 211 S C -1.515 173.096 174.600 0.018 0.000 1.333 211 S CA -1.186 57.020 58.200 0.009 0.000 1.052 211 S CB 0.669 63.869 63.200 0.001 0.000 0.884 211 S HN 0.083 nan 8.310 nan 0.000 0.506 212 P HA -0.146 nan 4.420 nan 0.000 0.217 212 P C 0.671 178.000 177.300 0.048 0.000 1.151 212 P CA 1.582 64.695 63.100 0.022 0.000 0.849 212 P CB 0.047 31.747 31.700 0.001 0.000 0.787 213 K N -1.232 119.172 120.400 0.008 0.000 2.515 213 K HA -0.023 3.719 4.320 -0.963 0.000 0.196 213 K C 1.307 178.010 176.600 0.171 0.000 1.038 213 K CA 1.564 57.882 56.287 0.052 0.000 0.967 213 K CB -0.533 31.805 32.500 -0.270 0.000 0.780 213 K HN 0.342 nan 8.250 nan 0.000 0.483 214 T N -3.645 111.001 114.554 0.155 0.000 3.091 214 T HA 0.095 3.867 4.350 -0.963 0.000 0.277 214 T C 1.235 176.141 174.700 0.343 0.000 0.996 214 T CA 0.204 62.450 62.100 0.242 0.000 0.897 214 T CB 0.409 69.383 68.868 0.178 0.000 1.109 214 T HN 0.152 nan 8.240 nan 0.000 0.534 215 T N -0.760 113.959 114.554 0.275 0.000 3.425 215 T HA 0.116 3.888 4.350 -0.963 0.000 0.225 215 T C 1.976 176.847 174.700 0.285 0.000 0.992 215 T CA 0.842 63.072 62.100 0.217 0.000 1.174 215 T CB -0.172 68.727 68.868 0.052 0.000 1.240 215 T HN 0.241 nan 8.240 nan 0.000 0.350 216 T N -0.385 114.256 114.554 0.146 0.000 3.044 216 T HA 0.358 4.130 4.350 -0.963 0.000 0.255 216 T C 0.684 175.414 174.700 0.049 0.000 1.073 216 T CA 0.286 62.451 62.100 0.108 0.000 1.125 216 T CB -0.140 68.764 68.868 0.059 0.000 0.908 216 T HN 0.207 nan 8.240 nan 0.000 0.480 217 K N 2.487 122.910 120.400 0.038 0.000 3.084 217 K HA 0.393 4.135 4.320 -0.963 0.000 0.172 217 K C -2.860 173.765 176.600 0.042 0.000 1.078 217 K CA -2.110 54.187 56.287 0.017 0.000 0.875 217 K CB 1.692 34.234 32.500 0.069 0.000 1.064 217 K HN 0.298 nan 8.250 nan 0.000 0.597 218 P HA 0.214 nan 4.420 nan 0.000 0.278 218 P C -0.486 176.631 177.300 -0.305 0.000 1.266 218 P CA -0.541 62.455 63.100 -0.174 0.000 0.807 218 P CB 1.267 32.618 31.700 -0.581 0.000 1.094 219 L N 0.790 121.793 121.223 -0.368 0.000 2.325 219 L HA 0.554 4.316 4.340 -0.963 0.000 0.279 219 L C 0.714 177.625 176.870 0.068 0.000 1.054 219 L CA -0.877 53.778 54.840 -0.308 0.000 0.804 219 L CB 1.517 43.218 42.059 -0.596 0.000 1.200 219 L HN 0.251 nan 8.230 nan 0.000 0.436 220 V N -0.992 119.061 119.914 0.231 0.000 3.158 220 V HA 0.618 4.160 4.120 -0.963 0.000 0.311 220 V C 0.331 176.635 176.094 0.350 0.000 1.181 220 V CA -0.064 62.451 62.300 0.358 0.000 1.054 220 V CB 1.804 33.722 31.823 0.159 0.000 1.085 220 V HN 0.832 nan 8.190 nan 0.000 0.446 221 T N -2.427 112.257 114.554 0.216 0.000 3.040 221 T HA 0.439 4.211 4.350 -0.963 0.000 0.266 221 T C 0.848 175.691 174.700 0.237 0.000 1.005 221 T CA 0.509 62.674 62.100 0.109 0.000 0.906 221 T CB -0.173 68.649 68.868 -0.076 0.000 1.082 221 T HN 1.418 nan 8.240 nan 0.000 0.531 222 G N 2.415 111.318 108.800 0.171 0.000 2.621 222 G HA2 0.467 3.849 3.960 -0.963 0.000 0.271 222 G HA3 0.467 3.849 3.960 -0.963 0.000 0.271 222 G C -1.323 173.391 174.900 -0.310 0.000 1.236 222 G CA -1.343 43.773 45.100 0.026 0.000 0.958 222 G HN 0.037 nan 8.290 nan 0.000 0.512 223 P HA 0.006 nan 4.420 nan 0.000 0.220 223 P C -0.118 176.781 177.300 -0.669 0.000 1.148 223 P CA 0.986 63.435 63.100 -1.085 0.000 0.803 223 P CB 0.144 31.282 31.700 -0.935 0.000 0.782 224 F N 0.401 120.186 119.950 -0.275 0.000 2.561 224 F HA 0.423 4.373 4.527 -0.962 0.000 0.321 224 F C 0.941 176.764 175.800 0.038 0.000 1.065 224 F CA -1.085 56.847 58.000 -0.112 0.000 0.934 224 F CB 1.899 40.778 39.000 -0.202 0.000 1.215 224 F HN -0.354 nan 8.300 nan 0.000 0.471 225 K N 1.403 121.990 120.400 0.312 0.000 2.328 225 K HA 0.612 4.354 4.320 -0.963 0.000 0.246 225 K C -3.195 173.526 176.600 0.201 0.000 0.955 225 K CA -2.089 54.321 56.287 0.205 0.000 0.817 225 K CB 2.176 34.724 32.500 0.079 0.000 1.208 225 K HN 0.146 nan 8.250 nan 0.000 0.432 226 P HA 0.043 nan 4.420 nan 0.000 0.284 226 P C -0.272 176.952 177.300 -0.127 0.000 1.343 226 P CA 0.029 62.987 63.100 -0.236 0.000 0.826 226 P CB 1.399 32.868 31.700 -0.384 0.000 0.956 227 E N 3.410 123.577 120.200 -0.054 0.000 2.230 227 E HA -0.077 3.695 4.350 -0.963 0.000 0.192 227 E C -0.277 176.313 176.600 -0.018 0.000 0.987 227 E CA 0.841 57.232 56.400 -0.015 0.000 0.841 227 E CB 0.321 30.037 29.700 0.026 0.000 0.783 227 E HN 0.378 nan 8.360 nan 0.000 0.481 228 N N -0.913 117.770 118.700 -0.028 0.000 2.369 228 N HA 0.211 4.373 4.740 -0.963 0.000 0.287 228 N C -1.984 173.530 175.510 0.005 0.000 1.067 228 N CA -0.475 52.574 53.050 -0.003 0.000 0.888 228 N CB 2.185 40.679 38.487 0.012 0.000 1.616 228 N HN -0.250 nan 8.380 nan 0.000 0.482 229 V N 2.750 122.688 119.914 0.039 0.000 2.407 229 V HA 0.449 3.991 4.120 -0.963 0.000 0.291 229 V C -0.458 175.668 176.094 0.054 0.000 1.018 229 V CA -0.811 61.534 62.300 0.076 0.000 0.842 229 V CB 1.639 33.553 31.823 0.152 0.000 0.996 229 V HN 0.472 nan 8.190 nan 0.000 0.426 230 V N 4.539 124.483 119.914 0.049 0.000 2.348 230 V HA 0.546 4.088 4.120 -0.963 0.000 0.270 230 V C 0.891 177.004 176.094 0.032 0.000 1.037 230 V CA -0.542 61.782 62.300 0.039 0.000 0.872 230 V CB 1.342 33.190 31.823 0.042 0.000 1.002 230 V HN 1.001 nan 8.190 nan 0.000 0.464 231 A N 4.266 127.097 122.820 0.018 0.000 2.546 231 A HA 0.474 4.216 4.320 -0.963 0.000 0.243 231 A C 1.633 179.216 177.584 -0.001 0.000 1.063 231 A CA 0.763 52.798 52.037 -0.003 0.000 0.757 231 A CB -0.455 18.540 19.000 -0.009 0.000 0.991 231 A HN 2.125 nan 8.150 nan 0.000 0.503 232 G N 1.623 110.414 108.800 -0.016 0.000 2.245 232 G HA2 -0.288 3.094 3.960 -0.963 0.000 0.264 232 G HA3 -0.288 3.094 3.960 -0.963 0.000 0.264 232 G C 0.565 175.475 174.900 0.018 0.000 0.985 232 G CA 1.054 46.151 45.100 -0.005 0.000 0.625 232 G HN 0.796 nan 8.290 nan 0.000 0.536 233 E N -0.935 119.284 120.200 0.032 0.000 2.629 233 E HA 0.342 4.114 4.350 -0.963 0.000 0.197 233 E C 0.853 177.495 176.600 0.070 0.000 0.955 233 E CA 0.734 57.165 56.400 0.052 0.000 1.191 233 E CB 0.816 30.549 29.700 0.055 0.000 1.175 233 E HN 0.796 nan 8.360 nan 0.000 0.501 234 S N 0.149 115.891 115.700 0.070 0.000 2.588 234 S HA 0.644 4.536 4.470 -0.963 0.000 0.269 234 S C -1.166 173.477 174.600 0.072 0.000 1.157 234 S CA -0.926 57.326 58.200 0.088 0.000 0.824 234 S CB 1.473 64.733 63.200 0.100 0.000 1.126 234 S HN 0.131 nan 8.310 nan 0.000 0.464 235 I N 0.856 121.461 120.570 0.059 0.000 2.533 235 I HA 0.507 4.099 4.170 -0.963 0.000 0.290 235 I C -0.927 175.146 176.117 -0.073 0.000 1.056 235 I CA -0.721 60.548 61.300 -0.052 0.000 1.057 235 I CB 2.329 40.197 38.000 -0.220 0.000 1.240 235 I HN 0.683 nan 8.210 nan 0.000 0.423 236 K N 5.965 126.313 120.400 -0.087 0.000 2.253 236 K HA 0.408 4.150 4.320 -0.963 0.000 0.277 236 K C -1.723 174.832 176.600 -0.074 0.000 1.053 236 K CA -0.072 56.199 56.287 -0.028 0.000 0.892 236 K CB 0.365 32.876 32.500 0.019 0.000 1.102 236 K HN 0.369 nan 8.250 nan 0.000 0.469 237 Y N 3.342 123.667 120.300 0.040 0.000 2.323 237 Y HA 0.410 4.312 4.550 -1.080 0.000 0.331 237 Y C 0.219 176.213 175.900 0.155 0.000 1.092 237 Y CA -0.684 57.449 58.100 0.054 0.000 1.150 237 Y CB 1.618 39.999 38.460 -0.132 0.000 1.200 237 Y HN 0.402 nan 8.280 nan 0.000 0.472 238 V N 0.943 121.118 119.914 0.436 0.000 3.040 238 V HA 0.703 4.245 4.120 -0.963 0.000 0.312 238 V C -3.037 173.240 176.094 0.305 0.000 1.115 238 V CA -3.506 59.016 62.300 0.369 0.000 0.998 238 V CB 1.990 33.919 31.823 0.178 0.000 1.042 238 V HN 0.452 nan 8.190 nan 0.000 0.433 239 P HA 0.134 nan 4.420 nan 0.000 0.265 239 P C -0.838 176.378 177.300 -0.140 0.000 1.193 239 P CA 0.348 63.278 63.100 -0.283 0.000 0.765 239 P CB 0.138 31.689 31.700 -0.247 0.000 0.823 240 N N 4.833 123.424 118.700 -0.181 0.000 2.415 240 N HA 0.140 4.302 4.740 -0.963 0.000 0.246 240 N C -1.697 173.768 175.510 -0.075 0.000 1.078 240 N CA -2.372 50.651 53.050 -0.045 0.000 0.942 240 N CB 0.149 38.646 38.487 0.016 0.000 1.140 240 N HN 0.132 nan 8.380 nan 0.000 0.501 241 P HA -0.120 nan 4.420 nan 0.000 0.218 241 P C 0.106 177.157 177.300 -0.414 0.000 1.146 241 P CA 1.416 64.305 63.100 -0.352 0.000 0.813 241 P CB -0.017 31.345 31.700 -0.564 0.000 0.778 242 Y N -3.944 116.380 120.300 0.040 0.000 2.457 242 Y HA 0.148 4.118 4.550 -0.967 0.000 0.263 242 Y C 0.957 176.900 175.900 0.072 0.000 1.164 242 Y CA -0.935 57.196 58.100 0.051 0.000 1.274 242 Y CB -1.063 37.433 38.460 0.059 0.000 1.097 242 Y HN -0.122 nan 8.280 nan 0.000 0.523 243 Y N 2.330 122.636 120.300 0.009 0.000 2.805 243 Y HA -0.213 3.766 4.550 -0.952 0.000 0.331 243 Y C 1.403 177.240 175.900 -0.106 0.000 1.241 243 Y CA -0.691 57.347 58.100 -0.103 0.000 1.546 243 Y CB 0.391 38.709 38.460 -0.238 0.000 1.248 243 Y HN 0.408 nan 8.280 nan 0.000 0.559 244 W N 4.926 125.888 121.300 -0.564 0.000 2.465 244 W HA 0.117 4.197 4.660 -0.968 0.000 0.268 244 W C 0.430 176.626 176.519 -0.539 0.000 1.242 244 W CA 0.527 57.597 57.345 -0.458 0.000 1.248 244 W CB -1.062 28.177 29.460 -0.369 0.000 1.118 244 W HN 0.674 nan 8.180 nan 0.000 0.587 245 G N 1.700 109.428 108.800 -1.787 0.000 2.695 245 G HA2 0.270 3.652 3.960 -0.963 0.000 0.213 245 G HA3 0.270 3.652 3.960 -0.963 0.000 0.213 245 G C -0.729 173.935 174.900 -0.394 0.000 1.406 245 G CA -0.851 43.520 45.100 -1.215 0.000 1.049 245 G HN 0.234 nan 8.290 nan 0.000 0.573 246 E N 0.443 120.572 120.200 -0.119 0.000 2.344 246 E HA 0.234 4.006 4.350 -0.963 0.000 0.270 246 E C -0.112 176.514 176.600 0.043 0.000 1.021 246 E CA -0.524 55.874 56.400 -0.004 0.000 0.887 246 E CB 1.268 30.982 29.700 0.023 0.000 0.997 246 E HN 0.312 nan 8.360 nan 0.000 0.429 247 K N 4.049 124.446 120.400 -0.005 0.000 2.484 247 K HA 0.068 3.810 4.320 -0.963 0.000 0.280 247 K C -2.120 174.437 176.600 -0.071 0.000 1.013 247 K CA -1.439 54.819 56.287 -0.048 0.000 1.029 247 K CB 0.286 32.753 32.500 -0.056 0.000 0.902 247 K HN 0.348 nan 8.250 nan 0.000 0.481 248 P HA 0.035 nan 4.420 nan 0.000 0.272 248 P C -0.180 177.108 177.300 -0.020 0.000 1.223 248 P CA -0.105 62.929 63.100 -0.111 0.000 0.784 248 P CB 0.621 32.107 31.700 -0.357 0.000 0.923 249 K N 0.618 121.048 120.400 0.051 0.000 2.062 249 K HA -0.003 3.739 4.320 -0.963 0.000 0.205 249 K C 0.760 177.413 176.600 0.089 0.000 1.051 249 K CA 0.851 57.172 56.287 0.056 0.000 0.941 249 K CB -0.329 32.205 32.500 0.056 0.000 0.719 249 K HN 0.377 nan 8.250 nan 0.000 0.440 250 L N 1.875 123.205 121.223 0.179 0.000 2.417 250 L HA 0.025 3.787 4.340 -0.963 0.000 0.268 250 L C 1.200 178.205 176.870 0.226 0.000 1.158 250 L CA -0.489 54.480 54.840 0.215 0.000 0.819 250 L CB 0.493 42.723 42.059 0.285 0.000 1.112 250 L HN 0.082 nan 8.230 nan 0.000 0.458 251 N N 0.027 118.829 118.700 0.169 0.000 2.300 251 N HA -0.031 4.131 4.740 -0.963 0.000 0.179 251 N C 0.067 175.714 175.510 0.228 0.000 1.016 251 N CA 0.646 53.787 53.050 0.152 0.000 0.876 251 N CB 0.218 38.762 38.487 0.095 0.000 0.979 251 N HN 0.732 nan 8.380 nan 0.000 0.432 252 S N -0.963 114.873 115.700 0.227 0.000 2.587 252 S HA 0.656 4.548 4.470 -0.963 0.000 0.269 252 S C -1.120 173.501 174.600 0.036 0.000 1.154 252 S CA -0.973 57.346 58.200 0.197 0.000 0.824 252 S CB 1.564 64.848 63.200 0.139 0.000 1.118 252 S HN -0.016 nan 8.310 nan 0.000 0.462 253 I N 1.661 122.184 120.570 -0.077 0.000 2.533 253 I HA 0.511 4.103 4.170 -0.963 0.000 0.290 253 I C -0.401 175.744 176.117 0.046 0.000 1.056 253 I CA -0.634 60.588 61.300 -0.131 0.000 1.057 253 I CB 2.712 40.432 38.000 -0.466 0.000 1.240 253 I HN 0.908 nan 8.210 nan 0.000 0.423 254 T N 1.803 116.394 114.554 0.060 0.000 2.824 254 T HA 0.534 4.306 4.350 -0.963 0.000 0.280 254 T C -1.016 173.770 174.700 0.144 0.000 0.995 254 T CA -0.680 61.493 62.100 0.122 0.000 1.009 254 T CB 1.418 70.357 68.868 0.118 0.000 0.955 254 T HN 0.495 nan 8.240 nan 0.000 0.452 255 Y N 1.121 121.474 120.300 0.088 0.000 2.329 255 Y HA 0.447 4.501 4.550 -0.826 0.000 0.328 255 Y C -0.268 175.658 175.900 0.044 0.000 0.992 255 Y CA -0.796 57.344 58.100 0.067 0.000 1.151 255 Y CB 1.349 39.873 38.460 0.106 0.000 1.150 255 Y HN 0.780 nan 8.280 nan 0.000 0.450 256 E N 3.615 124.011 120.200 0.326 0.000 2.343 256 E HA 0.400 4.172 4.350 -0.963 0.000 0.270 256 E C -1.337 175.327 176.600 0.107 0.000 0.895 256 E CA -1.211 55.293 56.400 0.174 0.000 0.767 256 E CB 3.066 32.871 29.700 0.175 0.000 1.248 256 E HN 0.277 nan 8.360 nan 0.000 0.440 257 V N 1.965 121.935 119.914 0.094 0.000 2.614 257 V HA 0.176 3.718 4.120 -0.963 0.000 0.291 257 V C -0.128 176.001 176.094 0.058 0.000 1.049 257 V CA -0.183 62.167 62.300 0.083 0.000 1.038 257 V CB 1.263 33.132 31.823 0.078 0.000 0.980 257 V HN 0.380 nan 8.190 nan 0.000 0.481 258 V N 5.347 125.277 119.914 0.028 0.000 2.709 258 V HA 0.644 4.186 4.120 -0.963 0.000 0.308 258 V C 0.229 176.348 176.094 0.041 0.000 1.062 258 V CA -0.241 62.091 62.300 0.053 0.000 0.901 258 V CB 2.701 34.554 31.823 0.051 0.000 1.003 258 V HN 1.063 nan 8.190 nan 0.000 0.425 259 S N 3.236 118.967 115.700 0.052 0.000 2.603 259 S HA 0.158 4.050 4.470 -0.963 0.000 0.268 259 S C 1.482 176.094 174.600 0.019 0.000 1.317 259 S CA 0.326 58.546 58.200 0.034 0.000 1.012 259 S CB 1.236 64.457 63.200 0.035 0.000 0.926 259 S HN 1.342 nan 8.310 nan 0.000 0.539 260 T N -0.732 113.825 114.554 0.006 0.000 2.720 260 T HA -0.150 3.622 4.350 -0.963 0.000 0.268 260 T C 1.876 176.580 174.700 0.005 0.000 1.037 260 T CA 1.231 63.329 62.100 -0.003 0.000 1.144 260 T CB -1.086 67.777 68.868 -0.008 0.000 0.864 260 T HN 0.950 nan 8.240 nan 0.000 0.444 261 A N 1.453 124.279 122.820 0.010 0.000 2.119 261 A HA 0.126 3.868 4.320 -0.963 0.000 0.217 261 A C 2.218 179.812 177.584 0.016 0.000 1.153 261 A CA 0.961 53.004 52.037 0.010 0.000 0.692 261 A CB -0.341 18.665 19.000 0.010 0.000 0.799 261 A HN 0.630 nan 8.150 nan 0.000 0.458 262 K N -0.875 119.542 120.400 0.028 0.000 2.355 262 K HA 0.189 3.931 4.320 -0.963 0.000 0.198 262 K C 1.697 178.329 176.600 0.053 0.000 1.039 262 K CA 0.433 56.745 56.287 0.041 0.000 1.075 262 K CB 0.438 32.974 32.500 0.060 0.000 0.870 262 K HN 0.299 nan 8.250 nan 0.000 0.540 263 S N 0.927 116.651 115.700 0.041 0.000 2.356 263 S HA -0.119 3.773 4.470 -0.963 0.000 0.223 263 S C 2.011 176.620 174.600 0.016 0.000 1.032 263 S CA 1.174 59.399 58.200 0.041 0.000 1.005 263 S CB -0.081 63.119 63.200 0.001 0.000 0.867 263 S HN 0.028 nan 8.310 nan 0.000 0.449 264 V N 2.067 121.977 119.914 -0.007 0.000 2.295 264 V HA -0.195 3.347 4.120 -0.963 0.000 0.246 264 V C 2.648 178.720 176.094 -0.037 0.000 1.049 264 V CA 1.680 63.958 62.300 -0.037 0.000 1.024 264 V CB -1.242 30.560 31.823 -0.035 0.000 0.648 264 V HN 0.537 nan 8.190 nan 0.000 0.447 265 A N 0.065 122.876 122.820 -0.015 0.000 1.948 265 A HA -0.191 3.551 4.320 -0.963 0.000 0.220 265 A C 2.402 179.978 177.584 -0.014 0.000 1.177 265 A CA 2.256 54.285 52.037 -0.013 0.000 0.636 265 A CB -0.770 18.227 19.000 -0.004 0.000 0.815 265 A HN 0.603 nan 8.150 nan 0.000 0.449 266 A N -0.480 122.343 122.820 0.005 0.000 1.969 266 A HA 0.023 3.765 4.320 -0.963 0.000 0.218 266 A C 2.139 179.718 177.584 -0.008 0.000 1.169 266 A CA 1.403 53.438 52.037 -0.004 0.000 0.635 266 A CB -0.495 18.581 19.000 0.127 0.000 0.810 266 A HN 0.489 nan 8.150 nan 0.000 0.445 267 L N -0.695 120.499 121.223 -0.049 0.000 2.072 267 L HA -0.122 3.640 4.340 -0.963 0.000 0.205 267 L C 2.813 179.659 176.870 -0.039 0.000 1.079 267 L CA 1.343 56.069 54.840 -0.190 0.000 0.752 267 L CB -0.526 41.255 42.059 -0.463 0.000 0.906 267 L HN 0.293 nan 8.230 nan 0.000 0.436 268 S N -0.054 115.626 115.700 -0.033 0.000 2.383 268 S HA -0.174 3.718 4.470 -0.963 0.000 0.229 268 S C 2.053 176.676 174.600 0.037 0.000 1.030 268 S CA 1.714 59.921 58.200 0.011 0.000 1.002 268 S CB -0.272 62.922 63.200 -0.011 0.000 0.829 268 S HN 0.619 nan 8.310 nan 0.000 0.467 269 S N 0.274 115.984 115.700 0.017 0.000 2.558 269 S HA 0.196 4.088 4.470 -0.963 0.000 0.217 269 S C 0.666 175.277 174.600 0.019 0.000 0.975 269 S CA 0.431 58.635 58.200 0.006 0.000 0.912 269 S CB -0.166 63.018 63.200 -0.027 0.000 0.776 269 S HN 0.227 nan 8.310 nan 0.000 0.526 270 S N 0.867 116.615 115.700 0.080 0.000 3.635 270 S HA -0.190 3.702 4.470 -0.963 0.000 0.328 270 S C 0.875 175.476 174.600 0.001 0.000 1.135 270 S CA 0.965 59.236 58.200 0.119 0.000 0.942 270 S CB -1.910 61.332 63.200 0.070 0.000 0.930 270 S HN 0.793 nan 8.310 nan 0.000 0.512 271 K N -0.335 119.992 120.400 -0.123 0.000 2.147 271 K HA -0.085 3.657 4.320 -0.963 0.000 0.205 271 K C -0.186 176.125 176.600 -0.481 0.000 1.049 271 K CA 1.276 57.337 56.287 -0.376 0.000 0.936 271 K CB 0.083 32.208 32.500 -0.626 0.000 0.722 271 K HN 0.513 nan 8.250 nan 0.000 0.446 272 Y N 0.276 120.630 120.300 0.090 0.000 2.409 272 Y HA 0.177 4.156 4.550 -0.951 0.000 0.343 272 Y C 0.450 176.440 175.900 0.151 0.000 0.973 272 Y CA -1.439 56.712 58.100 0.085 0.000 1.064 272 Y CB 1.861 40.353 38.460 0.053 0.000 1.207 272 Y HN -0.072 nan 8.280 nan 0.000 0.452 273 D N 1.782 122.338 120.400 0.260 0.000 2.149 273 D HA 0.056 4.118 4.640 -0.963 0.000 0.201 273 D C 0.088 176.524 176.300 0.226 0.000 0.972 273 D CA 1.671 55.783 54.000 0.187 0.000 0.835 273 D CB 0.668 41.526 40.800 0.095 0.000 0.966 273 D HN 0.382 nan 8.370 nan 0.000 0.476 274 I N 0.882 121.551 120.570 0.164 0.000 2.569 274 I HA 0.297 3.889 4.170 -0.963 0.000 0.290 274 I C -0.763 175.364 176.117 0.018 0.000 1.088 274 I CA -0.589 60.764 61.300 0.089 0.000 1.047 274 I CB 2.924 40.932 38.000 0.014 0.000 1.237 274 I HN -0.318 nan 8.210 nan 0.000 0.421 275 I N 5.414 125.975 120.570 -0.014 0.000 2.389 275 I HA 0.362 3.954 4.170 -0.963 0.000 0.288 275 I C -0.550 175.472 176.117 -0.158 0.000 0.999 275 I CA -0.655 60.579 61.300 -0.110 0.000 1.129 275 I CB 1.384 39.320 38.000 -0.106 0.000 1.288 275 I HN 0.499 nan 8.210 nan 0.000 0.444 276 N N 3.966 122.558 118.700 -0.179 0.000 2.487 276 N HA 0.394 4.556 4.740 -0.963 0.000 0.292 276 N C 0.828 175.953 175.510 -0.641 0.000 1.108 276 N CA 0.294 53.190 53.050 -0.257 0.000 0.956 276 N CB 1.953 40.455 38.487 0.024 0.000 1.176 276 N HN 0.935 nan 8.380 nan 0.000 0.484 277 G N 0.686 109.133 108.800 -0.589 0.000 2.136 277 G HA2 -0.261 3.121 3.960 -0.963 0.000 0.242 277 G HA3 -0.261 3.121 3.960 -0.963 0.000 0.242 277 G C 0.173 174.786 174.900 -0.479 0.000 0.989 277 G CA -0.139 44.568 45.100 -0.657 0.000 0.682 277 G HN 0.469 nan 8.290 nan 0.000 0.522 278 M N 0.554 119.867 119.600 -0.478 0.000 2.248 278 M HA 0.404 4.306 4.480 -0.963 0.000 0.337 278 M C 1.232 177.346 176.300 -0.309 0.000 1.121 278 M CA -0.011 55.071 55.300 -0.363 0.000 1.155 278 M CB 1.020 33.409 32.600 -0.351 0.000 1.514 278 M HN 0.401 nan 8.290 nan 0.000 0.452 279 V N 0.122 119.993 119.914 -0.072 0.000 2.837 279 V HA 0.336 3.878 4.120 -0.963 0.000 0.310 279 V C 0.854 177.063 176.094 0.191 0.000 1.059 279 V CA -0.623 61.679 62.300 0.004 0.000 1.004 279 V CB 1.352 33.167 31.823 -0.014 0.000 1.045 279 V HN 0.957 nan 8.190 nan 0.000 0.465 280 S N 1.820 117.610 115.700 0.151 0.000 2.400 280 S HA -0.183 3.709 4.470 -0.963 0.000 0.232 280 S C 2.057 176.754 174.600 0.161 0.000 1.025 280 S CA 1.821 60.140 58.200 0.199 0.000 0.993 280 S CB -0.486 62.752 63.200 0.064 0.000 0.808 280 S HN 1.224 nan 8.310 nan 0.000 0.478 281 S N 1.816 117.579 115.700 0.104 0.000 2.399 281 S HA -0.144 3.748 4.470 -0.963 0.000 0.231 281 S C 1.622 176.270 174.600 0.080 0.000 1.022 281 S CA 0.840 59.084 58.200 0.074 0.000 0.983 281 S CB -0.472 62.749 63.200 0.035 0.000 0.803 281 S HN 0.563 nan 8.310 nan 0.000 0.480 282 Q N -0.651 119.217 119.800 0.114 0.000 2.444 282 Q HA 0.111 3.873 4.340 -0.963 0.000 0.206 282 Q C 1.439 177.461 176.000 0.036 0.000 0.948 282 Q CA 0.497 56.351 55.803 0.085 0.000 0.946 282 Q CB -0.313 28.496 28.738 0.118 0.000 1.027 282 Q HN 0.784 nan 8.270 nan 0.000 0.513 283 Y N 2.637 122.856 120.300 -0.135 0.000 2.165 283 Y HA -0.319 3.652 4.550 -0.965 0.000 0.286 283 Y C 2.063 177.831 175.900 -0.220 0.000 1.155 283 Y CA 2.076 59.924 58.100 -0.420 0.000 1.164 283 Y CB -0.010 38.107 38.460 -0.571 0.000 0.978 283 Y HN 0.033 nan 8.280 nan 0.000 0.513 284 K N -0.254 120.009 120.400 -0.228 0.000 2.152 284 K HA -0.254 3.488 4.320 -0.963 0.000 0.206 284 K C 1.798 178.247 176.600 -0.252 0.000 1.048 284 K CA 2.080 58.216 56.287 -0.252 0.000 0.933 284 K CB -0.542 31.912 32.500 -0.077 0.000 0.721 284 K HN 0.418 nan 8.250 nan 0.000 0.447 285 Q N 0.699 120.390 119.800 -0.182 0.000 2.297 285 Q HA -0.013 3.749 4.340 -0.963 0.000 0.204 285 Q C 1.950 177.843 176.000 -0.179 0.000 0.962 285 Q CA 1.021 56.739 55.803 -0.142 0.000 0.879 285 Q CB 0.292 28.981 28.738 -0.082 0.000 0.947 285 Q HN 0.174 nan 8.270 nan 0.000 0.462 286 V N 0.064 119.822 119.914 -0.260 0.000 2.685 286 V HA -0.111 3.431 4.120 -0.963 0.000 0.244 286 V C 1.986 177.898 176.094 -0.302 0.000 1.054 286 V CA 1.157 63.311 62.300 -0.243 0.000 1.076 286 V CB -0.186 31.546 31.823 -0.153 0.000 0.725 286 V HN 0.157 nan 8.190 nan 0.000 0.467 287 K N 2.909 122.983 120.400 -0.542 0.000 2.044 287 K HA -0.236 3.506 4.320 -0.963 0.000 0.210 287 K C 1.743 178.207 176.600 -0.227 0.000 1.049 287 K CA 2.405 58.407 56.287 -0.475 0.000 0.927 287 K CB -0.661 31.436 32.500 -0.672 0.000 0.713 287 K HN 0.660 nan 8.250 nan 0.000 0.443 288 N N 0.836 119.416 118.700 -0.199 0.000 2.459 288 N HA -0.118 4.044 4.740 -0.963 0.000 0.181 288 N C 0.142 175.610 175.510 -0.070 0.000 1.046 288 N CA 0.419 53.400 53.050 -0.116 0.000 0.904 288 N CB -0.536 37.889 38.487 -0.104 0.000 0.964 288 N HN 0.234 nan 8.380 nan 0.000 0.444 289 L N 1.173 122.355 121.223 -0.068 0.000 2.534 289 L HA 0.066 3.828 4.340 -0.963 0.000 0.271 289 L C 0.764 177.669 176.870 0.058 0.000 1.178 289 L CA -0.186 54.648 54.840 -0.009 0.000 0.907 289 L CB 0.136 42.170 42.059 -0.042 0.000 1.164 289 L HN -0.048 nan 8.230 nan 0.000 0.482 290 K N 1.837 122.268 120.400 0.051 0.000 2.355 290 K HA 0.334 4.076 4.320 -0.963 0.000 0.270 290 K C 0.929 177.586 176.600 0.095 0.000 1.003 290 K CA 1.070 57.385 56.287 0.046 0.000 0.957 290 K CB 0.769 33.279 32.500 0.016 0.000 0.939 290 K HN 0.695 nan 8.250 nan 0.000 0.482 291 G N 1.124 109.929 108.800 0.008 0.000 2.175 291 G HA2 -0.262 3.120 3.960 -0.963 0.000 0.244 291 G HA3 -0.262 3.120 3.960 -0.963 0.000 0.244 291 G C -0.596 174.103 174.900 -0.335 0.000 0.982 291 G CA 0.113 45.142 45.100 -0.117 0.000 0.641 291 G HN 0.469 nan 8.290 nan 0.000 0.527 292 Y N -0.323 119.922 120.300 -0.090 0.000 2.485 292 Y HA 0.679 4.650 4.550 -0.966 0.000 0.345 292 Y C 0.223 176.018 175.900 -0.175 0.000 0.998 292 Y CA -1.121 56.908 58.100 -0.119 0.000 1.059 292 Y CB 2.013 40.436 38.460 -0.062 0.000 1.234 292 Y HN 0.060 nan 8.280 nan 0.000 0.461 293 K N 1.701 122.009 120.400 -0.154 0.000 2.213 293 K HA 0.593 4.335 4.320 -0.963 0.000 0.270 293 K C -1.785 174.817 176.600 0.004 0.000 1.002 293 K CA -0.463 55.704 56.287 -0.199 0.000 0.868 293 K CB 0.996 33.114 32.500 -0.636 0.000 1.093 293 K HN 0.449 nan 8.250 nan 0.000 0.454 294 V N 6.699 126.675 119.914 0.103 0.000 2.348 294 V HA 0.324 3.866 4.120 -0.963 0.000 0.270 294 V C 0.061 176.326 176.094 0.285 0.000 1.037 294 V CA -0.742 61.697 62.300 0.231 0.000 0.872 294 V CB 0.452 32.477 31.823 0.338 0.000 1.002 294 V HN 0.670 nan 8.190 nan 0.000 0.464 295 L N 4.131 125.467 121.223 0.189 0.000 2.421 295 L HA 0.846 4.608 4.340 -0.963 0.000 0.263 295 L C 0.805 177.667 176.870 -0.013 0.000 1.122 295 L CA -0.125 54.796 54.840 0.135 0.000 0.804 295 L CB 1.262 43.350 42.059 0.048 0.000 1.150 295 L HN 0.726 nan 8.230 nan 0.000 0.457 296 G N 0.614 109.354 108.800 -0.100 0.000 2.619 296 G HA2 0.607 3.989 3.960 -0.963 0.000 0.296 296 G HA3 0.607 3.989 3.960 -0.963 0.000 0.296 296 G C -1.871 172.891 174.900 -0.230 0.000 1.334 296 G CA -0.203 44.624 45.100 -0.455 0.000 0.934 296 G HN 0.396 nan 8.290 nan 0.000 0.476 297 Q N -0.461 119.185 119.800 -0.256 0.000 2.435 297 Q HA 0.356 4.118 4.340 -0.963 0.000 0.282 297 Q C -1.007 174.940 176.000 -0.088 0.000 1.020 297 Q CA -0.570 55.125 55.803 -0.180 0.000 0.820 297 Q CB 1.668 30.226 28.738 -0.300 0.000 1.436 297 Q HN 0.579 nan 8.270 nan 0.000 0.395 298 Q N 1.418 121.217 119.800 -0.003 0.000 2.271 298 Q HA 0.549 4.311 4.340 -0.963 0.000 0.273 298 Q C -0.547 175.540 176.000 0.144 0.000 1.051 298 Q CA 0.155 55.991 55.803 0.055 0.000 0.901 298 Q CB 0.966 29.723 28.738 0.031 0.000 1.174 298 Q HN 0.639 nan 8.270 nan 0.000 0.385 299 A N 3.613 126.498 122.820 0.108 0.000 2.332 299 A HA 0.309 4.051 4.320 -0.963 0.000 0.258 299 A C 0.135 177.808 177.584 0.148 0.000 1.087 299 A CA -0.404 51.721 52.037 0.148 0.000 0.802 299 A CB 0.398 19.457 19.000 0.099 0.000 1.042 299 A HN 0.821 nan 8.150 nan 0.000 0.489 300 M N 2.342 122.022 119.600 0.132 0.000 3.396 300 M HA 0.237 4.139 4.480 -0.963 0.000 0.255 300 M C -1.113 175.359 176.300 0.286 0.000 1.398 300 M CA 0.522 55.892 55.300 0.116 0.000 1.554 300 M CB -0.874 31.706 32.600 -0.032 0.000 1.070 300 M HN 0.685 nan 8.290 nan 0.000 0.587 301 Y N 1.741 122.157 120.300 0.193 0.000 2.513 301 Y HA 0.659 4.630 4.550 -0.965 0.000 0.340 301 Y C -2.101 173.997 175.900 0.330 0.000 1.055 301 Y CA -1.380 56.864 58.100 0.239 0.000 1.020 301 Y CB 1.501 40.072 38.460 0.185 0.000 1.301 301 Y HN 0.424 nan 8.280 nan 0.000 0.453 302 I N 4.859 125.311 120.570 -0.197 0.000 2.656 302 I HA 0.636 4.228 4.170 -0.963 0.000 0.292 302 I C -1.447 174.440 176.117 -0.383 0.000 1.144 302 I CA -0.218 61.060 61.300 -0.037 0.000 1.038 302 I CB 2.208 40.361 38.000 0.255 0.000 1.244 302 I HN 0.640 nan 8.210 nan 0.000 0.420 303 S N 7.656 123.264 115.700 -0.153 0.000 2.532 303 S HA 0.977 4.869 4.470 -0.963 0.000 0.301 303 S C -0.782 173.850 174.600 0.054 0.000 1.083 303 S CA -0.645 57.529 58.200 -0.044 0.000 1.025 303 S CB 1.594 64.852 63.200 0.096 0.000 1.056 303 S HN 0.943 nan 8.310 nan 0.000 0.494 304 L N -0.721 120.553 121.223 0.085 0.000 2.568 304 L HA 0.692 4.454 4.340 -0.963 0.000 0.257 304 L C -0.989 175.890 176.870 0.014 0.000 1.024 304 L CA -1.208 53.635 54.840 0.005 0.000 0.854 304 L CB 2.059 44.090 42.059 -0.046 0.000 1.460 304 L HN 0.804 nan 8.230 nan 0.000 0.409 305 M N 1.686 121.213 119.600 -0.121 0.000 2.238 305 M HA 0.527 4.429 4.480 -0.963 0.000 0.350 305 M C -1.810 174.331 176.300 -0.265 0.000 1.138 305 M CA -0.272 54.965 55.300 -0.105 0.000 1.040 305 M CB 1.014 33.484 32.600 -0.217 0.000 1.639 305 M HN 0.622 nan 8.290 nan 0.000 0.451 306 Y N 3.286 123.589 120.300 0.004 0.000 2.420 306 Y HA 0.472 4.443 4.550 -0.964 0.000 0.334 306 Y C -1.136 174.816 175.900 0.086 0.000 1.094 306 Y CA -0.376 57.796 58.100 0.120 0.000 1.126 306 Y CB 1.261 39.984 38.460 0.437 0.000 1.217 306 Y HN 0.474 nan 8.280 nan 0.000 0.462 307 Y N 0.940 121.497 120.300 0.429 0.000 2.360 307 Y HA 0.247 4.219 4.550 -0.962 0.000 0.337 307 Y C 0.010 176.012 175.900 0.171 0.000 1.039 307 Y CA -1.835 56.418 58.100 0.255 0.000 1.109 307 Y CB 1.026 39.547 38.460 0.102 0.000 1.201 307 Y HN 0.506 nan 8.280 nan 0.000 0.458 308 N N 3.196 121.872 118.700 -0.039 0.000 2.406 308 N HA 0.228 4.390 4.740 -0.963 0.000 0.251 308 N C -0.435 175.002 175.510 -0.123 0.000 1.069 308 N CA 0.252 53.034 53.050 -0.448 0.000 0.947 308 N CB 0.256 37.868 38.487 -1.459 0.000 1.111 308 N HN 0.757 nan 8.380 nan 0.000 0.497 309 L N 1.775 123.032 121.223 0.056 0.000 3.016 309 L HA 0.501 4.263 4.340 -0.963 0.000 0.267 309 L C 1.043 177.987 176.870 0.123 0.000 1.182 309 L CA -0.256 54.644 54.840 0.099 0.000 0.997 309 L CB 0.305 42.460 42.059 0.159 0.000 1.354 309 L HN 0.638 nan 8.230 nan 0.000 0.569 310 G N -0.882 108.028 108.800 0.184 0.000 2.435 310 G HA2 0.247 3.629 3.960 -0.963 0.000 0.228 310 G HA3 0.247 3.629 3.960 -0.963 0.000 0.228 310 G C -1.789 173.200 174.900 0.148 0.000 1.198 310 G CA -0.341 44.862 45.100 0.172 0.000 0.948 310 G HN 0.107 nan 8.290 nan 0.000 0.487 311 H N -1.389 117.563 119.070 -0.197 0.000 3.008 311 H HA 0.638 4.616 4.556 -0.963 0.000 0.354 311 H C -2.239 172.784 175.328 -0.509 0.000 1.252 311 H CA -0.833 54.898 56.048 -0.529 0.000 1.117 311 H CB 1.825 31.453 29.762 -0.223 0.000 1.857 311 H HN 0.594 nan 8.280 nan 0.000 0.547 312 Y N 1.691 121.634 120.300 -0.595 0.000 2.331 312 Y HA 0.214 4.187 4.550 -0.962 0.000 0.338 312 Y C -0.541 175.310 175.900 -0.081 0.000 0.992 312 Y CA -0.768 57.157 58.100 -0.292 0.000 1.121 312 Y CB 1.284 39.692 38.460 -0.087 0.000 1.184 312 Y HN 0.703 nan 8.280 nan 0.000 0.469 313 D N 5.080 125.091 120.400 -0.648 0.000 2.441 313 D HA 0.283 4.345 4.640 -0.963 0.000 0.221 313 D C 0.620 176.499 176.300 -0.701 0.000 1.156 313 D CA 0.304 54.037 54.000 -0.444 0.000 0.896 313 D CB 1.167 41.798 40.800 -0.282 0.000 1.028 313 D HN 0.778 nan 8.370 nan 0.000 0.509 314 A N 4.959 127.526 122.820 -0.422 0.000 1.898 314 A HA -0.166 3.576 4.320 -0.963 0.000 0.216 314 A C 2.019 179.514 177.584 -0.149 0.000 1.181 314 A CA 1.255 53.155 52.037 -0.229 0.000 0.620 314 A CB -0.332 18.692 19.000 0.039 0.000 0.819 314 A HN 0.590 nan 8.150 nan 0.000 0.442 315 K N -0.395 119.935 120.400 -0.117 0.000 2.057 315 K HA -0.148 3.594 4.320 -0.963 0.000 0.207 315 K C 0.661 177.209 176.600 -0.087 0.000 1.049 315 K CA 1.627 57.871 56.287 -0.072 0.000 0.931 315 K CB -0.182 32.286 32.500 -0.053 0.000 0.714 315 K HN 0.427 nan 8.250 nan 0.000 0.440 316 N N 0.757 119.375 118.700 -0.135 0.000 2.230 316 N HA 0.021 4.183 4.740 -0.963 0.000 0.202 316 N C -0.773 174.645 175.510 -0.153 0.000 1.119 316 N CA 0.276 53.253 53.050 -0.122 0.000 0.851 316 N CB 0.806 39.226 38.487 -0.111 0.000 0.990 316 N HN 0.032 nan 8.380 nan 0.000 0.497 317 S N 0.970 116.541 115.700 -0.216 0.000 3.447 317 S HA -0.215 3.678 4.470 -0.963 0.000 0.371 317 S C -0.259 174.241 174.600 -0.166 0.000 0.951 317 S CA 0.395 58.491 58.200 -0.173 0.000 1.269 317 S CB -1.201 62.000 63.200 0.001 0.000 0.919 317 S HN 0.458 nan 8.310 nan 0.000 0.516 318 I N 1.085 121.417 120.570 -0.397 0.000 2.722 318 I HA 0.355 3.947 4.170 -0.963 0.000 0.292 318 I C -0.853 175.114 176.117 -0.250 0.000 1.267 318 I CA -0.627 60.553 61.300 -0.200 0.000 1.036 318 I CB 1.589 39.498 38.000 -0.153 0.000 1.281 318 I HN 0.185 nan 8.210 nan 0.000 0.423 319 N N 5.498 124.189 118.700 -0.015 0.000 2.514 319 N HA 0.453 4.615 4.740 -0.963 0.000 0.277 319 N C -1.213 174.204 175.510 -0.156 0.000 1.126 319 N CA -0.136 52.910 53.050 -0.008 0.000 0.978 319 N CB 1.897 40.432 38.487 0.081 0.000 1.106 319 N HN 0.281 nan 8.380 nan 0.000 0.461 320 V N 2.390 122.125 119.914 -0.298 0.000 2.443 320 V HA 0.172 3.714 4.120 -0.963 0.000 0.293 320 V C 0.389 176.405 176.094 -0.130 0.000 1.021 320 V CA -0.707 61.437 62.300 -0.261 0.000 0.848 320 V CB 1.720 33.293 31.823 -0.417 0.000 0.998 320 V HN 0.602 nan 8.190 nan 0.000 0.424 321 Q N 3.436 123.220 119.800 -0.028 0.000 3.247 321 Q HA 0.111 3.873 4.340 -0.963 0.000 0.326 321 Q C 0.054 176.088 176.000 0.056 0.000 1.402 321 Q CA -0.154 55.670 55.803 0.035 0.000 0.994 321 Q CB 0.173 28.927 28.738 0.027 0.000 1.647 321 Q HN 0.938 nan 8.270 nan 0.000 0.523 322 D N 0.237 120.686 120.400 0.082 0.000 2.538 322 D HA 0.036 4.098 4.640 -0.963 0.000 0.231 322 D C -0.029 176.318 176.300 0.078 0.000 1.229 322 D CA -0.415 53.639 54.000 0.089 0.000 0.828 322 D CB 0.079 40.950 40.800 0.118 0.000 1.035 322 D HN 0.177 nan 8.370 nan 0.000 0.495 323 R N 1.133 121.675 120.500 0.069 0.000 2.340 323 R HA 0.237 3.999 4.340 -0.963 0.000 0.300 323 R C -0.261 176.054 176.300 0.024 0.000 1.069 323 R CA -0.514 55.608 56.100 0.037 0.000 0.984 323 R CB 0.687 30.997 30.300 0.017 0.000 1.003 323 R HN -0.179 nan 8.270 nan 0.000 0.459 324 K N 2.748 123.157 120.400 0.015 0.000 2.378 324 K HA 0.079 3.821 4.320 -0.963 0.000 0.288 324 K C -0.538 176.067 176.600 0.009 0.000 1.057 324 K CA 0.415 56.713 56.287 0.018 0.000 0.971 324 K CB 1.139 33.649 32.500 0.017 0.000 0.975 324 K HN 0.568 nan 8.250 nan 0.000 0.475 325 T N 2.376 116.939 114.554 0.016 0.000 3.003 325 T HA 0.211 3.983 4.350 -0.963 0.000 0.354 325 T C -2.447 172.261 174.700 0.013 0.000 1.651 325 T CA -1.368 60.729 62.100 -0.004 0.000 1.103 325 T CB 1.174 70.012 68.868 -0.050 0.000 1.450 325 T HN 0.169 nan 8.240 nan 0.000 0.484 326 P HA 0.102 nan 4.420 nan 0.000 0.223 326 P C 1.431 178.676 177.300 -0.091 0.000 1.144 326 P CA 0.690 63.805 63.100 0.026 0.000 0.783 326 P CB 0.047 31.665 31.700 -0.136 0.000 0.771 327 L N -0.903 120.223 121.223 -0.160 0.000 2.551 327 L HA -0.108 3.654 4.340 -0.963 0.000 0.228 327 L C 2.187 178.993 176.870 -0.106 0.000 1.153 327 L CA 0.723 55.417 54.840 -0.244 0.000 0.851 327 L CB -0.651 41.223 42.059 -0.309 0.000 0.959 327 L HN -0.012 nan 8.230 nan 0.000 0.451 328 Q N -0.177 119.614 119.800 -0.016 0.000 2.364 328 Q HA -0.041 3.721 4.340 -0.963 0.000 0.207 328 Q C 0.047 176.078 176.000 0.051 0.000 0.970 328 Q CA 0.785 56.617 55.803 0.048 0.000 0.888 328 Q CB -0.163 28.612 28.738 0.062 0.000 0.951 328 Q HN 0.478 nan 8.270 nan 0.000 0.469 329 D N 0.973 121.389 120.400 0.026 0.000 2.295 329 D HA -0.005 4.057 4.640 -0.963 0.000 0.248 329 D C 0.959 177.248 176.300 -0.018 0.000 1.154 329 D CA 0.011 54.035 54.000 0.038 0.000 0.857 329 D CB 1.321 42.182 40.800 0.102 0.000 1.117 329 D HN 0.138 nan 8.370 nan 0.000 0.468 330 Q N 3.032 122.826 119.800 -0.010 0.000 2.112 330 Q HA -0.248 3.514 4.340 -0.963 0.000 0.206 330 Q C 0.964 176.942 176.000 -0.037 0.000 0.987 330 Q CA 1.582 57.354 55.803 -0.052 0.000 0.858 330 Q CB 0.177 28.886 28.738 -0.049 0.000 0.905 330 Q HN 0.312 nan 8.270 nan 0.000 0.420 331 N N -0.374 118.332 118.700 0.009 0.000 2.104 331 N HA -0.158 4.004 4.740 -0.963 0.000 0.190 331 N C 1.659 177.165 175.510 -0.006 0.000 1.024 331 N CA 1.516 54.588 53.050 0.037 0.000 0.853 331 N CB -0.335 38.198 38.487 0.076 0.000 1.008 331 N HN 0.096 nan 8.380 nan 0.000 0.424 332 V N 1.102 120.974 119.914 -0.070 0.000 2.307 332 V HA -0.183 3.359 4.120 -0.963 0.000 0.245 332 V C 2.224 178.142 176.094 -0.294 0.000 1.045 332 V CA 1.506 63.683 62.300 -0.205 0.000 1.024 332 V CB -0.380 31.265 31.823 -0.296 0.000 0.651 332 V HN 0.299 nan 8.190 nan 0.000 0.449 333 R N -0.184 120.113 120.500 -0.338 0.000 2.083 333 R HA -0.209 3.553 4.340 -0.963 0.000 0.237 333 R C 2.415 178.585 176.300 -0.216 0.000 1.137 333 R CA 1.802 57.620 56.100 -0.471 0.000 0.951 333 R CB -0.405 29.694 30.300 -0.336 0.000 0.851 333 R HN 0.613 nan 8.270 nan 0.000 0.434 334 Q N 0.159 119.895 119.800 -0.106 0.000 2.050 334 Q HA -0.098 3.664 4.340 -0.963 0.000 0.202 334 Q C 2.282 178.347 176.000 0.107 0.000 0.980 334 Q CA 1.499 57.304 55.803 0.004 0.000 0.840 334 Q CB -0.186 28.683 28.738 0.217 0.000 0.898 334 Q HN 0.367 nan 8.270 nan 0.000 0.424 335 A N 0.956 123.853 122.820 0.128 0.000 1.908 335 A HA -0.200 3.542 4.320 -0.963 0.000 0.218 335 A C 2.033 179.704 177.584 0.145 0.000 1.181 335 A CA 1.339 53.484 52.037 0.180 0.000 0.627 335 A CB -0.672 18.377 19.000 0.081 0.000 0.818 335 A HN 0.325 nan 8.150 nan 0.000 0.445 336 I N -0.435 120.135 120.570 0.000 0.000 2.394 336 I HA -0.153 3.439 4.170 -0.963 0.000 0.251 336 I C 2.592 178.834 176.117 0.208 0.000 1.136 336 I CA 0.897 62.213 61.300 0.027 0.000 1.425 336 I CB -0.375 37.438 38.000 -0.311 0.000 1.079 336 I HN 0.399 nan 8.210 nan 0.000 0.425 337 G N -0.003 108.774 108.800 -0.039 0.000 2.404 337 G HA2 -0.256 3.126 3.960 -0.963 0.000 0.215 337 G HA3 -0.256 3.126 3.960 -0.963 0.000 0.215 337 G C 1.409 176.313 174.900 0.007 0.000 1.174 337 G CA 0.527 45.461 45.100 -0.276 0.000 0.780 337 G HN 0.258 nan 8.290 nan 0.000 0.537 338 Y N 1.353 121.810 120.300 0.261 0.000 2.352 338 Y HA 0.117 4.090 4.550 -0.963 0.000 0.292 338 Y C 3.011 179.006 175.900 0.158 0.000 1.136 338 Y CA 0.330 58.582 58.100 0.252 0.000 1.227 338 Y CB -0.339 38.242 38.460 0.203 0.000 0.991 338 Y HN 0.270 nan 8.280 nan 0.000 0.545 339 A N 0.126 123.131 122.820 0.309 0.000 1.969 339 A HA -0.074 3.668 4.320 -0.963 0.000 0.218 339 A C 1.466 179.093 177.584 0.072 0.000 1.169 339 A CA 0.283 52.453 52.037 0.222 0.000 0.635 339 A CB -0.362 18.850 19.000 0.354 0.000 0.810 339 A HN 0.200 nan 8.150 nan 0.000 0.445 340 R N 1.049 121.562 120.500 0.022 0.000 2.694 340 R HA 0.083 3.845 4.340 -0.963 0.000 0.268 340 R C -0.551 175.776 176.300 0.045 0.000 1.061 340 R CA 0.311 56.336 56.100 -0.125 0.000 1.133 340 R CB 0.145 30.223 30.300 -0.370 0.000 1.020 340 R HN 0.600 nan 8.270 nan 0.000 0.475 341 N N 1.749 120.545 118.700 0.159 0.000 3.040 341 N HA 0.030 4.192 4.740 -0.963 0.000 0.305 341 N C 0.506 176.136 175.510 0.200 0.000 1.611 341 N CA -0.193 52.942 53.050 0.142 0.000 1.049 341 N CB 0.716 39.254 38.487 0.084 0.000 1.342 341 N HN 0.202 nan 8.380 nan 0.000 0.497 342 V N 0.646 120.670 119.914 0.183 0.000 2.295 342 V HA -0.236 3.306 4.120 -0.963 0.000 0.246 342 V C 2.625 178.792 176.094 0.121 0.000 1.049 342 V CA 2.290 64.707 62.300 0.194 0.000 1.024 342 V CB -0.883 31.002 31.823 0.104 0.000 0.648 342 V HN 0.594 nan 8.190 nan 0.000 0.447 343 A N -0.235 122.630 122.820 0.076 0.000 1.883 343 A HA -0.316 3.426 4.320 -0.963 0.000 0.217 343 A C 2.301 179.900 177.584 0.025 0.000 1.186 343 A CA 2.262 54.327 52.037 0.046 0.000 0.624 343 A CB -0.562 18.459 19.000 0.035 0.000 0.822 343 A HN 0.652 nan 8.150 nan 0.000 0.444 344 E N -0.355 119.858 120.200 0.021 0.000 2.051 344 E HA -0.130 3.642 4.350 -0.963 0.000 0.192 344 E C 1.896 178.455 176.600 -0.068 0.000 0.991 344 E CA 1.385 57.769 56.400 -0.027 0.000 0.799 344 E CB -0.179 29.509 29.700 -0.020 0.000 0.748 344 E HN 0.278 nan 8.360 nan 0.000 0.449 345 V N 1.938 121.852 119.914 -0.000 0.000 2.282 345 V HA -0.299 3.243 4.120 -0.963 0.000 0.249 345 V C 1.875 178.012 176.094 0.071 0.000 1.057 345 V CA 2.296 64.630 62.300 0.056 0.000 1.032 345 V CB -0.550 31.343 31.823 0.118 0.000 0.645 345 V HN 0.343 nan 8.190 nan 0.000 0.447 346 D N -0.156 120.287 120.400 0.071 0.000 2.117 346 D HA -0.120 3.942 4.640 -0.963 0.000 0.197 346 D C 2.071 178.371 176.300 0.000 0.000 0.987 346 D CA 1.056 55.097 54.000 0.069 0.000 0.829 346 D CB -0.441 40.398 40.800 0.066 0.000 0.961 346 D HN 0.390 nan 8.370 nan 0.000 0.460 347 N N 0.781 119.451 118.700 -0.050 0.000 2.188 347 N HA -0.092 4.070 4.740 -0.963 0.000 0.184 347 N C 1.634 177.043 175.510 -0.168 0.000 1.018 347 N CA 0.710 53.710 53.050 -0.083 0.000 0.858 347 N CB -0.047 38.395 38.487 -0.074 0.000 0.989 347 N HN 0.275 nan 8.380 nan 0.000 0.426 348 K N -0.583 119.612 120.400 -0.342 0.000 2.057 348 K HA -0.019 3.723 4.320 -0.963 0.000 0.206 348 K C 1.019 177.304 176.600 -0.523 0.000 1.050 348 K CA 1.080 56.992 56.287 -0.626 0.000 0.935 348 K CB -0.032 31.708 32.500 -1.266 0.000 0.715 348 K HN 0.142 nan 8.250 nan 0.000 0.439 349 F N -0.849 119.091 119.950 -0.016 0.000 2.712 349 F HA 0.077 4.025 4.527 -0.964 0.000 0.297 349 F C 2.249 178.047 175.800 -0.003 0.000 1.114 349 F CA 0.136 58.127 58.000 -0.014 0.000 1.305 349 F CB 0.037 39.020 39.000 -0.027 0.000 1.086 349 F HN -0.070 nan 8.300 nan 0.000 0.599 350 S N -0.989 114.796 115.700 0.142 0.000 2.517 350 S HA 0.037 3.929 4.470 -0.963 0.000 0.214 350 S C 0.790 175.420 174.600 0.049 0.000 0.991 350 S CA 0.205 58.463 58.200 0.096 0.000 0.906 350 S CB -0.412 62.835 63.200 0.079 0.000 0.789 350 S HN 0.356 nan 8.310 nan 0.000 0.513 351 N N 1.234 119.964 118.700 0.049 0.000 2.741 351 N HA -0.174 3.988 4.740 -0.963 0.000 0.250 351 N C 0.790 176.277 175.510 -0.038 0.000 1.115 351 N CA 0.999 54.077 53.050 0.046 0.000 0.724 351 N CB -1.787 36.792 38.487 0.154 0.000 1.090 351 N HN 1.097 nan 8.380 nan 0.000 0.558 352 G N -0.858 107.938 108.800 -0.007 0.000 2.148 352 G HA2 -0.324 3.058 3.960 -0.963 0.000 0.254 352 G HA3 -0.324 3.058 3.960 -0.963 0.000 0.254 352 G C 0.822 175.754 174.900 0.053 0.000 0.981 352 G CA 0.604 45.715 45.100 0.018 0.000 0.670 352 G HN 0.446 nan 8.290 nan 0.000 0.528 353 L N 0.143 121.363 121.223 -0.006 0.000 2.554 353 L HA 0.308 4.070 4.340 -0.963 0.000 0.225 353 L C 1.025 177.893 176.870 -0.004 0.000 1.104 353 L CA 0.592 55.414 54.840 -0.029 0.000 0.866 353 L CB 0.417 42.426 42.059 -0.084 0.000 1.047 353 L HN 0.198 nan 8.230 nan 0.000 0.468 354 S N -0.774 114.944 115.700 0.030 0.000 2.482 354 S HA 0.520 4.412 4.470 -0.963 0.000 0.303 354 S C -0.262 174.390 174.600 0.087 0.000 1.091 354 S CA -0.353 57.883 58.200 0.060 0.000 1.057 354 S CB 2.396 65.636 63.200 0.067 0.000 1.031 354 S HN 0.037 nan 8.310 nan 0.000 0.485 355 T N 3.345 117.972 114.554 0.122 0.000 2.893 355 T HA 0.577 4.349 4.350 -0.963 0.000 0.293 355 T C -3.026 171.708 174.700 0.057 0.000 1.027 355 T CA -2.353 59.816 62.100 0.115 0.000 0.988 355 T CB 1.178 70.148 68.868 0.170 0.000 1.043 355 T HN 0.155 nan 8.240 nan 0.000 0.461 356 P HA 0.298 nan 4.420 nan 0.000 0.264 356 P C -1.130 175.983 177.300 -0.312 0.000 1.193 356 P CA -0.221 62.825 63.100 -0.089 0.000 0.763 356 P CB 0.296 31.983 31.700 -0.023 0.000 0.810 357 A N 3.518 125.970 122.820 -0.614 0.000 2.409 357 A HA 0.146 3.888 4.320 -0.963 0.000 0.262 357 A C 1.342 178.674 177.584 -0.420 0.000 1.113 357 A CA -0.407 50.901 52.037 -1.216 0.000 0.790 357 A CB -0.143 18.183 19.000 -1.123 0.000 1.046 357 A HN 0.670 nan 8.150 nan 0.000 0.496 358 N N 0.935 119.545 118.700 -0.151 0.000 2.373 358 N HA -0.007 4.155 4.740 -0.963 0.000 0.181 358 N C 0.137 175.686 175.510 0.065 0.000 1.082 358 N CA 0.872 53.937 53.050 0.026 0.000 0.885 358 N CB 0.037 38.592 38.487 0.115 0.000 0.977 358 N HN 0.716 nan 8.380 nan 0.000 0.462 359 S N -1.340 114.449 115.700 0.149 0.000 2.643 359 S HA 0.416 4.308 4.470 -0.963 0.000 0.270 359 S C 0.334 175.071 174.600 0.229 0.000 1.166 359 S CA -0.886 57.406 58.200 0.153 0.000 0.815 359 S CB 0.572 63.880 63.200 0.180 0.000 1.139 359 S HN -0.039 nan 8.310 nan 0.000 0.472 360 L N 0.160 121.476 121.223 0.156 0.000 2.313 360 L HA 0.286 4.048 4.340 -0.963 0.000 0.214 360 L C -0.046 177.014 176.870 0.317 0.000 1.119 360 L CA 0.605 55.566 54.840 0.202 0.000 0.809 360 L CB -0.154 41.952 42.059 0.079 0.000 0.933 360 L HN 0.529 nan 8.230 nan 0.000 0.449 361 I N 1.054 121.804 120.570 0.300 0.000 2.315 361 I HA 0.277 3.869 4.170 -0.963 0.000 0.291 361 I C -2.171 174.078 176.117 0.220 0.000 1.006 361 I CA -2.566 58.875 61.300 0.236 0.000 1.265 361 I CB 0.684 38.752 38.000 0.113 0.000 1.387 361 I HN -0.283 nan 8.210 nan 0.000 0.475 362 P HA 0.098 nan 4.420 nan 0.000 0.266 362 P C -1.881 175.280 177.300 -0.232 0.000 1.195 362 P CA -0.942 62.039 63.100 -0.200 0.000 0.768 362 P CB -0.008 31.747 31.700 0.093 0.000 0.838 363 P HA -0.100 nan 4.420 nan 0.000 0.226 363 P C 1.385 178.585 177.300 -0.167 0.000 1.153 363 P CA 0.516 63.448 63.100 -0.279 0.000 0.777 363 P CB -0.153 31.361 31.700 -0.310 0.000 0.794 364 I N -0.463 119.976 120.570 -0.217 0.000 2.335 364 I HA -0.153 3.439 4.170 -0.963 0.000 0.251 364 I C 0.659 176.581 176.117 -0.326 0.000 1.129 364 I CA 0.826 61.969 61.300 -0.262 0.000 1.402 364 I CB -0.945 36.865 38.000 -0.316 0.000 1.069 364 I HN -0.271 nan 8.210 nan 0.000 0.424 365 F N 1.999 121.910 119.950 -0.064 0.000 2.661 365 F HA 0.170 4.119 4.527 -0.964 0.000 0.356 365 F C 1.556 177.247 175.800 -0.182 0.000 1.244 365 F CA -0.265 57.675 58.000 -0.101 0.000 1.290 365 F CB -0.512 38.505 39.000 0.028 0.000 1.677 365 F HN -0.119 nan 8.300 nan 0.000 0.649 366 K N 0.999 121.344 120.400 -0.092 0.000 2.209 366 K HA -0.166 3.576 4.320 -0.963 0.000 0.204 366 K C 2.030 178.555 176.600 -0.127 0.000 1.048 366 K CA 0.828 57.059 56.287 -0.092 0.000 0.940 366 K CB -0.174 32.264 32.500 -0.103 0.000 0.729 366 K HN 0.564 nan 8.250 nan 0.000 0.451 367 Q N -0.520 119.107 119.800 -0.289 0.000 2.482 367 Q HA -0.044 3.718 4.340 -0.963 0.000 0.209 367 Q C 0.324 176.120 176.000 -0.340 0.000 0.961 367 Q CA 0.914 56.481 55.803 -0.393 0.000 0.945 367 Q CB 0.132 28.502 28.738 -0.613 0.000 1.012 367 Q HN 0.224 nan 8.270 nan 0.000 0.515 368 F N -0.269 119.645 119.950 -0.061 0.000 2.838 368 F HA 0.410 4.358 4.527 -0.965 0.000 0.329 368 F C 0.420 176.139 175.800 -0.134 0.000 1.116 368 F CA -0.424 57.431 58.000 -0.243 0.000 1.155 368 F CB 0.943 39.434 39.000 -0.849 0.000 1.106 368 F HN -0.052 nan 8.300 nan 0.000 0.538 369 T N -1.272 113.352 114.554 0.118 0.000 2.731 369 T HA 0.663 4.435 4.350 -0.963 0.000 0.300 369 T C -1.533 173.218 174.700 0.085 0.000 1.283 369 T CA -0.419 61.751 62.100 0.117 0.000 1.005 369 T CB 1.689 70.626 68.868 0.114 0.000 1.420 369 T HN -0.092 nan 8.240 nan 0.000 0.503 370 S N -0.433 115.319 115.700 0.086 0.000 2.533 370 S HA 0.465 4.357 4.470 -0.963 0.000 0.271 370 S C 0.924 175.570 174.600 0.076 0.000 1.143 370 S CA 0.243 58.482 58.200 0.066 0.000 0.891 370 S CB 1.347 64.583 63.200 0.060 0.000 1.105 370 S HN 1.066 nan 8.310 nan 0.000 0.468 371 S N 2.225 117.965 115.700 0.066 0.000 2.555 371 S HA -0.056 3.836 4.470 -0.963 0.000 0.230 371 S C 1.746 176.385 174.600 0.064 0.000 0.978 371 S CA 1.158 59.406 58.200 0.081 0.000 0.934 371 S CB -0.582 62.660 63.200 0.070 0.000 0.766 371 S HN 1.086 nan 8.310 nan 0.000 0.533 372 S N 0.806 116.536 115.700 0.050 0.000 2.481 372 S HA 0.096 3.988 4.470 -0.963 0.000 0.231 372 S C 0.619 175.238 174.600 0.031 0.000 0.996 372 S CA -0.012 58.210 58.200 0.036 0.000 0.942 372 S CB -0.768 62.450 63.200 0.029 0.000 0.768 372 S HN 0.325 nan 8.310 nan 0.000 0.520 373 V N 3.485 123.426 119.914 0.044 0.000 2.521 373 V HA 0.227 3.769 4.120 -0.963 0.000 0.286 373 V C 0.171 176.275 176.094 0.016 0.000 1.034 373 V CA -0.112 62.206 62.300 0.031 0.000 1.045 373 V CB 0.398 32.252 31.823 0.051 0.000 0.974 373 V HN 0.320 nan 8.190 nan 0.000 0.480 374 K N 4.139 124.526 120.400 -0.022 0.000 2.185 374 K HA 0.652 4.394 4.320 -0.963 0.000 0.269 374 K C 0.450 176.973 176.600 -0.129 0.000 0.987 374 K CA -0.099 56.155 56.287 -0.055 0.000 0.865 374 K CB 2.037 34.503 32.500 -0.056 0.000 1.090 374 K HN 0.784 nan 8.250 nan 0.000 0.450 375 G N 0.723 109.422 108.800 -0.168 0.000 3.392 375 G HA2 0.235 3.617 3.960 -0.963 0.000 0.185 375 G HA3 0.235 3.617 3.960 -0.963 0.000 0.185 375 G C -0.658 173.888 174.900 -0.590 0.000 1.206 375 G CA -0.193 44.712 45.100 -0.325 0.000 0.776 375 G HN 0.491 nan 8.290 nan 0.000 0.697 376 Y N 1.409 121.630 120.300 -0.132 0.000 2.720 376 Y HA 0.229 4.201 4.550 -0.964 0.000 0.277 376 Y C 2.128 177.996 175.900 -0.053 0.000 1.144 376 Y CA -0.138 57.873 58.100 -0.148 0.000 1.221 376 Y CB 0.754 39.048 38.460 -0.277 0.000 1.163 376 Y HN 0.472 nan 8.280 nan 0.000 0.537 377 E N 1.029 121.247 120.200 0.029 0.000 2.418 377 E HA -0.120 3.652 4.350 -0.963 0.000 0.197 377 E C 0.211 176.841 176.600 0.050 0.000 1.026 377 E CA 0.572 56.986 56.400 0.024 0.000 0.862 377 E CB 0.235 29.934 29.700 -0.002 0.000 0.799 377 E HN 0.330 nan 8.360 nan 0.000 0.518 378 K N 1.461 121.905 120.400 0.074 0.000 2.358 378 K HA 0.116 3.858 4.320 -0.963 0.000 0.260 378 K C -0.568 176.112 176.600 0.134 0.000 0.956 378 K CA -0.587 55.749 56.287 0.081 0.000 0.834 378 K CB 1.503 34.037 32.500 0.057 0.000 1.102 378 K HN -0.087 nan 8.250 nan 0.000 0.431 379 Q N 2.668 122.535 119.800 0.112 0.000 2.315 379 Q HA -0.079 3.683 4.340 -0.963 0.000 0.289 379 Q C -1.043 175.028 176.000 0.119 0.000 1.044 379 Q CA 0.815 56.697 55.803 0.132 0.000 0.920 379 Q CB 0.584 29.375 28.738 0.088 0.000 1.214 379 Q HN 0.493 nan 8.270 nan 0.000 0.392 380 D N 4.705 125.197 120.400 0.153 0.000 2.429 380 D HA 0.147 4.209 4.640 -0.963 0.000 0.255 380 D C 0.295 176.632 176.300 0.061 0.000 1.257 380 D CA -0.173 53.856 54.000 0.048 0.000 0.890 380 D CB 0.435 41.181 40.800 -0.090 0.000 1.267 380 D HN 0.671 nan 8.370 nan 0.000 0.521 381 L N 1.130 122.390 121.223 0.062 0.000 2.093 381 L HA -0.079 3.683 4.340 -0.963 0.000 0.208 381 L C 1.604 178.498 176.870 0.040 0.000 1.085 381 L CA 0.850 55.732 54.840 0.070 0.000 0.755 381 L CB -0.002 42.093 42.059 0.059 0.000 0.904 381 L HN 0.221 nan 8.230 nan 0.000 0.435 382 D N 0.252 120.656 120.400 0.008 0.000 2.104 382 D HA -0.227 3.835 4.640 -0.963 0.000 0.194 382 D C 2.112 178.397 176.300 -0.025 0.000 0.994 382 D CA 1.281 55.276 54.000 -0.008 0.000 0.830 382 D CB -0.077 40.710 40.800 -0.023 0.000 0.959 382 D HN 0.204 nan 8.370 nan 0.000 0.452 383 K N 0.428 120.782 120.400 -0.078 0.000 2.057 383 K HA -0.099 3.643 4.320 -0.963 0.000 0.207 383 K C 2.011 178.585 176.600 -0.044 0.000 1.049 383 K CA 1.276 57.478 56.287 -0.142 0.000 0.931 383 K CB -0.070 32.193 32.500 -0.395 0.000 0.714 383 K HN 0.049 nan 8.250 nan 0.000 0.440 384 A N 1.755 124.600 122.820 0.041 0.000 1.865 384 A HA -0.211 3.531 4.320 -0.963 0.000 0.217 384 A C 1.892 179.534 177.584 0.096 0.000 1.191 384 A CA 1.832 53.953 52.037 0.140 0.000 0.623 384 A CB -0.769 18.350 19.000 0.199 0.000 0.826 384 A HN 0.395 nan 8.150 nan 0.000 0.444 385 N N -0.237 118.507 118.700 0.074 0.000 2.104 385 N HA -0.182 3.980 4.740 -0.963 0.000 0.190 385 N C 1.781 177.327 175.510 0.060 0.000 1.024 385 N CA 1.722 54.812 53.050 0.067 0.000 0.853 385 N CB -0.321 38.198 38.487 0.053 0.000 1.008 385 N HN 0.718 nan 8.380 nan 0.000 0.424 386 K N 1.191 121.614 120.400 0.039 0.000 2.057 386 K HA -0.037 3.705 4.320 -0.963 0.000 0.206 386 K C 2.178 178.807 176.600 0.049 0.000 1.050 386 K CA 0.669 56.975 56.287 0.032 0.000 0.935 386 K CB -0.136 32.367 32.500 0.005 0.000 0.715 386 K HN 0.060 nan 8.250 nan 0.000 0.439 387 L N 1.023 122.280 121.223 0.057 0.000 2.042 387 L HA -0.214 3.548 4.340 -0.963 0.000 0.210 387 L C 2.428 179.360 176.870 0.104 0.000 1.076 387 L CA 1.160 56.046 54.840 0.078 0.000 0.749 387 L CB -0.311 41.808 42.059 0.100 0.000 0.893 387 L HN 0.267 nan 8.230 nan 0.000 0.432 388 L N -1.000 120.291 121.223 0.113 0.000 2.044 388 L HA -0.190 3.572 4.340 -0.963 0.000 0.205 388 L C 2.252 179.245 176.870 0.205 0.000 1.075 388 L CA 0.894 55.838 54.840 0.173 0.000 0.747 388 L CB -0.670 41.468 42.059 0.131 0.000 0.903 388 L HN 0.244 nan 8.230 nan 0.000 0.435 389 D N 0.790 121.271 120.400 0.135 0.000 2.137 389 D HA -0.221 3.842 4.640 -0.963 0.000 0.189 389 D C 1.407 177.756 176.300 0.081 0.000 0.998 389 D CA 1.484 55.544 54.000 0.100 0.000 0.839 389 D CB -0.204 40.636 40.800 0.066 0.000 0.962 389 D HN 0.387 nan 8.370 nan 0.000 0.446 390 E N -0.114 120.128 120.200 0.071 0.000 2.301 390 E HA 0.038 3.810 4.350 -0.963 0.000 0.195 390 E C -0.088 176.549 176.600 0.061 0.000 1.171 390 E CA 0.036 56.467 56.400 0.050 0.000 1.142 390 E CB 0.172 29.894 29.700 0.037 0.000 1.218 390 E HN 0.203 nan 8.360 nan 0.000 0.448 391 D N -1.291 119.163 120.400 0.089 0.000 2.530 391 D HA 0.114 4.176 4.640 -0.963 0.000 0.253 391 D C 0.977 177.289 176.300 0.021 0.000 1.338 391 D CA 0.576 54.634 54.000 0.095 0.000 0.806 391 D CB 0.563 41.478 40.800 0.192 0.000 1.160 391 D HN 0.166 nan 8.370 nan 0.000 0.514 392 G N 0.264 109.055 108.800 -0.014 0.000 2.175 392 G HA2 -0.269 3.113 3.960 -0.963 0.000 0.244 392 G HA3 -0.269 3.113 3.960 -0.963 0.000 0.244 392 G C -0.091 174.675 174.900 -0.224 0.000 0.982 392 G CA -0.123 44.892 45.100 -0.143 0.000 0.641 392 G HN 0.221 nan 8.290 nan 0.000 0.527 393 W N 2.308 123.615 121.300 0.011 0.000 2.497 393 W HA 0.566 4.648 4.660 -0.963 0.000 0.354 393 W C 0.847 177.381 176.519 0.024 0.000 1.111 393 W CA -0.309 57.046 57.345 0.017 0.000 1.510 393 W CB 0.534 30.003 29.460 0.016 0.000 1.466 393 W HN 0.140 nan 8.180 nan 0.000 0.409 394 K N 3.387 123.880 120.400 0.155 0.000 2.156 394 K HA 0.377 4.119 4.320 -0.963 0.000 0.271 394 K C -0.437 176.242 176.600 0.131 0.000 0.995 394 K CA -0.953 55.398 56.287 0.107 0.000 0.890 394 K CB 0.987 33.509 32.500 0.037 0.000 1.073 394 K HN 0.292 nan 8.250 nan 0.000 0.454 395 L N 3.391 124.679 121.223 0.109 0.000 2.464 395 L HA 0.169 3.931 4.340 -0.963 0.000 0.264 395 L C -0.116 176.800 176.870 0.077 0.000 1.199 395 L CA 0.401 55.300 54.840 0.099 0.000 0.818 395 L CB 0.691 42.790 42.059 0.067 0.000 1.102 395 L HN 0.690 nan 8.230 nan 0.000 0.473 396 N N 1.526 120.272 118.700 0.075 0.000 2.492 396 N HA 0.100 4.262 4.740 -0.963 0.000 0.289 396 N C 0.191 175.720 175.510 0.032 0.000 1.133 396 N CA -0.548 52.538 53.050 0.060 0.000 0.961 396 N CB 1.931 40.468 38.487 0.083 0.000 1.186 396 N HN 0.521 nan 8.380 nan 0.000 0.493 397 K N 0.872 121.289 120.400 0.029 0.000 1.980 397 K HA -0.049 3.693 4.320 -0.963 0.000 0.208 397 K C 2.024 178.635 176.600 0.018 0.000 1.043 397 K CA 1.303 57.601 56.287 0.018 0.000 0.938 397 K CB -0.656 31.855 32.500 0.019 0.000 0.724 397 K HN 0.420 nan 8.250 nan 0.000 0.438 398 S N -0.341 115.377 115.700 0.031 0.000 2.349 398 S HA -0.098 3.794 4.470 -0.963 0.000 0.216 398 S C 0.708 175.334 174.600 0.042 0.000 1.033 398 S CA 1.591 59.812 58.200 0.036 0.000 1.021 398 S CB -0.846 62.381 63.200 0.044 0.000 0.968 398 S HN 0.671 nan 8.310 nan 0.000 0.426 399 T N -1.358 113.239 114.554 0.070 0.000 2.882 399 T HA 0.576 4.348 4.350 -0.963 0.000 0.287 399 T C 0.760 175.455 174.700 -0.009 0.000 1.014 399 T CA -0.161 61.998 62.100 0.097 0.000 1.049 399 T CB 1.365 70.380 68.868 0.245 0.000 1.001 399 T HN 0.284 nan 8.240 nan 0.000 0.525 400 G N 0.822 109.491 108.800 -0.218 0.000 3.496 400 G HA2 0.396 3.778 3.960 -0.963 0.000 0.273 400 G HA3 0.396 3.778 3.960 -0.963 0.000 0.273 400 G C -0.826 173.760 174.900 -0.524 0.000 1.279 400 G CA -0.363 44.517 45.100 -0.368 0.000 1.041 400 G HN 0.657 nan 8.290 nan 0.000 0.539 401 Y N -0.758 119.583 120.300 0.069 0.000 2.536 401 Y HA 0.558 4.530 4.550 -0.963 0.000 0.347 401 Y C 0.596 176.557 175.900 0.102 0.000 1.000 401 Y CA -1.357 56.790 58.100 0.078 0.000 1.051 401 Y CB 1.576 40.078 38.460 0.071 0.000 1.259 401 Y HN -0.072 nan 8.280 nan 0.000 0.468 402 R N 1.344 122.026 120.500 0.303 0.000 2.459 402 R HA 0.484 4.246 4.340 -0.963 0.000 0.281 402 R C -0.892 175.652 176.300 0.406 0.000 1.050 402 R CA -0.671 55.612 56.100 0.305 0.000 1.055 402 R CB 1.039 31.532 30.300 0.321 0.000 1.045 402 R HN 0.698 nan 8.270 nan 0.000 0.495 403 E N 0.957 121.368 120.200 0.351 0.000 2.369 403 E HA 0.374 4.146 4.350 -0.963 0.000 0.270 403 E C -1.267 175.320 176.600 -0.021 0.000 0.909 403 E CA -0.949 55.608 56.400 0.263 0.000 0.775 403 E CB 2.707 32.487 29.700 0.133 0.000 1.270 403 E HN 0.271 nan 8.360 nan 0.000 0.445 404 K N 1.764 121.967 120.400 -0.329 0.000 2.565 404 K HA 0.133 3.875 4.320 -0.963 0.000 0.251 404 K C -1.361 174.995 176.600 -0.407 0.000 0.956 404 K CA -0.455 55.436 56.287 -0.661 0.000 0.809 404 K CB 1.046 32.529 32.500 -1.695 0.000 1.267 404 K HN 0.465 nan 8.250 nan 0.000 0.438 405 D N 3.513 123.753 120.400 -0.266 0.000 2.702 405 D HA -0.216 3.846 4.640 -0.963 0.000 0.233 405 D C 0.675 176.919 176.300 -0.093 0.000 1.164 405 D CA 2.077 55.986 54.000 -0.151 0.000 0.638 405 D CB -1.005 39.712 40.800 -0.139 0.000 1.041 405 D HN 1.116 nan 8.370 nan 0.000 0.422 406 G N -0.621 108.135 108.800 -0.073 0.000 2.184 406 G HA2 -0.361 3.021 3.960 -0.963 0.000 0.264 406 G HA3 -0.361 3.021 3.960 -0.963 0.000 0.264 406 G C 0.265 175.175 174.900 0.017 0.000 0.975 406 G CA 0.777 45.866 45.100 -0.019 0.000 0.642 406 G HN 0.480 nan 8.290 nan 0.000 0.536 407 K N 0.597 121.013 120.400 0.026 0.000 2.182 407 K HA 0.450 4.192 4.320 -0.963 0.000 0.262 407 K C -0.005 176.729 176.600 0.223 0.000 0.957 407 K CA -0.670 55.678 56.287 0.102 0.000 0.842 407 K CB 2.004 34.570 32.500 0.110 0.000 1.099 407 K HN 0.321 nan 8.250 nan 0.000 0.438 408 E N 2.236 122.549 120.200 0.188 0.000 2.373 408 E HA 0.018 3.790 4.350 -0.963 0.000 0.267 408 E C -0.785 175.930 176.600 0.192 0.000 1.032 408 E CA -0.630 55.894 56.400 0.207 0.000 0.889 408 E CB 0.633 30.390 29.700 0.095 0.000 0.984 408 E HN 0.208 nan 8.360 nan 0.000 0.425 409 L N 4.224 125.523 121.223 0.127 0.000 2.401 409 L HA 0.191 3.953 4.340 -0.963 0.000 0.283 409 L C -0.752 176.011 176.870 -0.178 0.000 1.151 409 L CA 0.615 55.324 54.840 -0.218 0.000 0.942 409 L CB 0.035 41.778 42.059 -0.526 0.000 1.283 409 L HN 0.277 nan 8.230 nan 0.000 0.442 410 S N 4.835 120.445 115.700 -0.149 0.000 2.532 410 S HA 0.832 4.724 4.470 -0.963 0.000 0.299 410 S C -0.826 173.706 174.600 -0.113 0.000 1.105 410 S CA -0.583 57.533 58.200 -0.140 0.000 1.018 410 S CB 0.725 63.859 63.200 -0.109 0.000 1.021 410 S HN 0.473 nan 8.310 nan 0.000 0.483 411 L N 3.500 124.664 121.223 -0.097 0.000 2.393 411 L HA 0.691 4.453 4.340 -0.963 0.000 0.260 411 L C -1.030 175.864 176.870 0.040 0.000 1.002 411 L CA -1.137 53.666 54.840 -0.062 0.000 0.818 411 L CB 2.289 44.255 42.059 -0.155 0.000 1.369 411 L HN 0.336 nan 8.230 nan 0.000 0.412 412 V N 1.258 121.246 119.914 0.123 0.000 2.398 412 V HA 0.276 3.818 4.120 -0.963 0.000 0.286 412 V C -1.145 175.180 176.094 0.386 0.000 1.026 412 V CA -0.533 61.914 62.300 0.244 0.000 0.868 412 V CB 1.464 33.455 31.823 0.279 0.000 0.982 412 V HN 0.456 nan 8.190 nan 0.000 0.443 413 Y N 4.803 125.247 120.300 0.241 0.000 2.417 413 Y HA 0.644 4.616 4.550 -0.964 0.000 0.336 413 Y C 0.450 176.511 175.900 0.269 0.000 0.961 413 Y CA -2.004 56.258 58.100 0.270 0.000 1.215 413 Y CB 1.107 39.743 38.460 0.294 0.000 1.120 413 Y HN 0.670 nan 8.280 nan 0.000 0.499 414 A N 6.241 129.252 122.820 0.317 0.000 3.063 414 A HA 0.609 4.351 4.320 -0.963 0.000 0.263 414 A C 0.576 178.066 177.584 -0.157 0.000 1.736 414 A CA 0.154 52.199 52.037 0.013 0.000 1.408 414 A CB -1.445 17.429 19.000 -0.209 0.000 1.108 414 A HN 0.876 nan 8.150 nan 0.000 0.621 415 A N 2.224 124.735 122.820 -0.515 0.000 2.386 415 A HA 0.637 4.379 4.320 -0.963 0.000 0.248 415 A C 0.750 178.149 177.584 -0.309 0.000 1.082 415 A CA -0.398 51.276 52.037 -0.605 0.000 0.789 415 A CB 0.284 18.741 19.000 -0.905 0.000 1.025 415 A HN 0.946 nan 8.150 nan 0.000 0.490 416 R N 0.503 120.833 120.500 -0.284 0.000 2.867 416 R HA 0.676 4.438 4.340 -0.963 0.000 0.268 416 R C -1.352 174.842 176.300 -0.177 0.000 1.014 416 R CA -0.789 55.166 56.100 -0.242 0.000 0.946 416 R CB 0.771 30.831 30.300 -0.401 0.000 1.208 416 R HN 0.333 nan 8.270 nan 0.000 0.477 417 V N 0.781 120.622 119.914 -0.121 0.000 2.963 417 V HA 0.350 3.892 4.120 -0.963 0.000 0.306 417 V C 1.167 177.200 176.094 -0.101 0.000 1.077 417 V CA 1.471 63.716 62.300 -0.091 0.000 1.124 417 V CB 0.853 32.645 31.823 -0.050 0.000 0.987 417 V HN 1.147 nan 8.190 nan 0.000 0.487 418 G N 2.461 111.201 108.800 -0.101 0.000 4.455 418 G HA2 -0.103 3.279 3.960 -0.963 0.000 0.182 418 G HA3 -0.103 3.279 3.960 -0.963 0.000 0.182 418 G C 0.064 174.904 174.900 -0.100 0.000 1.631 418 G CA 0.088 45.120 45.100 -0.114 0.000 0.878 418 G HN 0.673 nan 8.290 nan 0.000 0.295 419 D N 1.954 122.298 120.400 -0.094 0.000 2.443 419 D HA 0.455 4.517 4.640 -0.963 0.000 0.239 419 D C 1.751 177.993 176.300 -0.097 0.000 1.136 419 D CA 0.551 54.501 54.000 -0.084 0.000 0.879 419 D CB 1.525 42.279 40.800 -0.077 0.000 1.195 419 D HN 0.486 nan 8.370 nan 0.000 0.443 420 A N 4.124 126.893 122.820 -0.085 0.000 2.070 420 A HA -0.192 3.550 4.320 -0.963 0.000 0.220 420 A C 1.316 178.822 177.584 -0.131 0.000 1.159 420 A CA 1.171 53.157 52.037 -0.086 0.000 0.656 420 A CB -0.332 18.636 19.000 -0.054 0.000 0.800 420 A HN 0.752 nan 8.150 nan 0.000 0.453 421 N N -0.918 117.661 118.700 -0.201 0.000 2.389 421 N HA 0.444 4.606 4.740 -0.963 0.000 0.260 421 N C 1.072 176.397 175.510 -0.309 0.000 1.191 421 N CA 0.339 53.189 53.050 -0.335 0.000 0.885 421 N CB 0.616 38.704 38.487 -0.664 0.000 1.162 421 N HN 0.359 nan 8.380 nan 0.000 0.512 422 A N 0.975 123.679 122.820 -0.194 0.000 1.908 422 A HA -0.201 3.541 4.320 -0.963 0.000 0.218 422 A C 2.094 179.588 177.584 -0.151 0.000 1.181 422 A CA 1.322 53.266 52.037 -0.154 0.000 0.627 422 A CB -0.108 18.819 19.000 -0.121 0.000 0.818 422 A HN 0.265 nan 8.150 nan 0.000 0.445 423 E N -0.624 119.490 120.200 -0.144 0.000 2.072 423 E HA -0.122 3.650 4.350 -0.963 0.000 0.191 423 E C 2.170 178.693 176.600 -0.128 0.000 0.985 423 E CA 1.732 58.064 56.400 -0.114 0.000 0.801 423 E CB -0.653 28.994 29.700 -0.090 0.000 0.750 423 E HN 0.633 nan 8.360 nan 0.000 0.452 424 T N 1.661 116.097 114.554 -0.196 0.000 2.777 424 T HA -0.076 3.696 4.350 -0.963 0.000 0.266 424 T C 2.159 176.714 174.700 -0.241 0.000 1.040 424 T CA 0.835 62.805 62.100 -0.218 0.000 1.141 424 T CB -0.176 68.490 68.868 -0.337 0.000 0.868 424 T HN 0.072 nan 8.240 nan 0.000 0.444 425 I N 1.555 121.930 120.570 -0.326 0.000 2.179 425 I HA -0.149 3.443 4.170 -0.963 0.000 0.242 425 I C 2.923 178.848 176.117 -0.321 0.000 1.088 425 I CA 1.176 62.265 61.300 -0.351 0.000 1.357 425 I CB -0.508 37.328 38.000 -0.274 0.000 1.051 425 I HN 0.170 nan 8.210 nan 0.000 0.409 426 A N -0.127 122.643 122.820 -0.082 0.000 1.908 426 A HA -0.237 3.505 4.320 -0.963 0.000 0.218 426 A C 2.308 179.971 177.584 0.132 0.000 1.181 426 A CA 1.474 53.605 52.037 0.157 0.000 0.627 426 A CB -0.481 18.550 19.000 0.053 0.000 0.818 426 A HN 0.381 nan 8.150 nan 0.000 0.445 427 Q N -0.350 119.457 119.800 0.012 0.000 2.119 427 Q HA -0.173 3.589 4.340 -0.963 0.000 0.201 427 Q C 1.940 177.932 176.000 -0.014 0.000 0.972 427 Q CA 1.748 57.571 55.803 0.033 0.000 0.847 427 Q CB -0.592 28.150 28.738 0.007 0.000 0.903 427 Q HN 0.851 nan 8.270 nan 0.000 0.433 428 N N -0.390 118.238 118.700 -0.120 0.000 2.104 428 N HA -0.198 3.964 4.740 -0.963 0.000 0.190 428 N C 1.451 176.839 175.510 -0.204 0.000 1.024 428 N CA 1.338 54.285 53.050 -0.173 0.000 0.853 428 N CB -0.137 38.193 38.487 -0.262 0.000 1.008 428 N HN 0.119 nan 8.380 nan 0.000 0.424 429 Y N 0.732 120.893 120.300 -0.232 0.000 2.200 429 Y HA 0.012 3.983 4.550 -0.964 0.000 0.290 429 Y C 2.177 177.646 175.900 -0.719 0.000 1.137 429 Y CA 0.506 58.191 58.100 -0.693 0.000 1.163 429 Y CB -0.652 37.294 38.460 -0.856 0.000 0.988 429 Y HN 0.128 nan 8.280 nan 0.000 0.518 430 I N -0.290 120.295 120.570 0.026 0.000 2.194 430 I HA -0.345 3.247 4.170 -0.963 0.000 0.246 430 I C 2.284 178.515 176.117 0.189 0.000 1.093 430 I CA 1.321 62.795 61.300 0.289 0.000 1.355 430 I CB -0.310 37.882 38.000 0.319 0.000 1.046 430 I HN 0.217 nan 8.210 nan 0.000 0.413 431 Q N 0.187 120.032 119.800 0.075 0.000 2.167 431 Q HA -0.177 3.585 4.340 -0.963 0.000 0.202 431 Q C 2.209 178.233 176.000 0.040 0.000 0.970 431 Q CA 1.210 57.053 55.803 0.067 0.000 0.855 431 Q CB -0.315 28.442 28.738 0.032 0.000 0.911 431 Q HN 0.512 nan 8.270 nan 0.000 0.438 432 Q N -1.021 118.744 119.800 -0.060 0.000 2.119 432 Q HA -0.117 3.645 4.340 -0.963 0.000 0.201 432 Q C 1.832 177.848 176.000 0.027 0.000 0.972 432 Q CA 0.872 56.626 55.803 -0.082 0.000 0.847 432 Q CB -0.337 28.269 28.738 -0.219 0.000 0.903 432 Q HN 0.485 nan 8.270 nan 0.000 0.433 433 W N 1.320 122.687 121.300 0.112 0.000 2.436 433 W HA 0.003 4.084 4.660 -0.964 0.000 0.284 433 W C 2.057 178.647 176.519 0.118 0.000 1.225 433 W CA 0.509 57.908 57.345 0.089 0.000 1.271 433 W CB -0.537 28.964 29.460 0.069 0.000 1.114 433 W HN 0.231 nan 8.180 nan 0.000 0.559 434 K N 1.242 121.842 120.400 0.334 0.000 2.097 434 K HA -0.181 3.561 4.320 -0.963 0.000 0.206 434 K C 1.849 178.518 176.600 0.114 0.000 1.049 434 K CA 1.415 57.857 56.287 0.257 0.000 0.933 434 K CB -0.111 32.519 32.500 0.218 0.000 0.717 434 K HN -0.011 nan 8.250 nan 0.000 0.442 435 K N 0.554 121.017 120.400 0.105 0.000 2.211 435 K HA -0.129 3.613 4.320 -0.963 0.000 0.204 435 K C 1.813 178.459 176.600 0.077 0.000 1.047 435 K CA 1.549 57.875 56.287 0.065 0.000 0.935 435 K CB -0.180 32.356 32.500 0.060 0.000 0.728 435 K HN 0.438 nan 8.250 nan 0.000 0.452 436 I N -3.885 116.763 120.570 0.129 0.000 3.928 436 I HA 0.335 3.927 4.170 -0.963 0.000 0.335 436 I C 0.642 176.828 176.117 0.116 0.000 1.325 436 I CA 0.025 61.399 61.300 0.123 0.000 1.107 436 I CB 0.543 38.636 38.000 0.156 0.000 1.014 436 I HN 0.115 nan 8.210 nan 0.000 0.400 437 G N 1.460 110.331 108.800 0.119 0.000 2.137 437 G HA2 -0.191 3.191 3.960 -0.963 0.000 0.237 437 G HA3 -0.191 3.191 3.960 -0.963 0.000 0.237 437 G C -0.045 175.041 174.900 0.310 0.000 1.002 437 G CA 0.092 45.277 45.100 0.141 0.000 0.702 437 G HN 0.319 nan 8.290 nan 0.000 0.515 438 V N 0.639 120.726 119.914 0.289 0.000 2.398 438 V HA 0.503 4.045 4.120 -0.963 0.000 0.286 438 V C 0.594 176.846 176.094 0.263 0.000 1.026 438 V CA -0.769 61.636 62.300 0.175 0.000 0.868 438 V CB 1.813 33.629 31.823 -0.011 0.000 0.982 438 V HN 0.341 nan 8.190 nan 0.000 0.443 439 K N 4.257 124.651 120.400 -0.009 0.000 2.262 439 K HA 0.614 4.356 4.320 -0.963 0.000 0.282 439 K C -1.309 175.255 176.600 -0.059 0.000 1.066 439 K CA -0.284 55.873 56.287 -0.217 0.000 0.901 439 K CB 1.177 33.213 32.500 -0.772 0.000 1.089 439 K HN 0.526 nan 8.250 nan 0.000 0.476 440 V N 3.117 123.090 119.914 0.098 0.000 2.540 440 V HA 0.381 3.923 4.120 -0.963 0.000 0.302 440 V C -0.708 175.509 176.094 0.204 0.000 1.035 440 V CA -0.755 61.638 62.300 0.155 0.000 0.873 440 V CB 1.967 33.968 31.823 0.296 0.000 0.992 440 V HN 0.834 nan 8.190 nan 0.000 0.428 441 S N 4.147 119.958 115.700 0.184 0.000 2.568 441 S HA 0.727 4.619 4.470 -0.963 0.000 0.293 441 S C -0.552 174.181 174.600 0.222 0.000 1.089 441 S CA -0.752 57.552 58.200 0.173 0.000 0.945 441 S CB 1.800 65.055 63.200 0.091 0.000 1.077 441 S HN 0.523 nan 8.310 nan 0.000 0.485 442 L N 2.004 123.331 121.223 0.172 0.000 2.461 442 L HA 0.229 3.991 4.340 -0.963 0.000 0.272 442 L C -0.081 176.866 176.870 0.128 0.000 1.197 442 L CA -0.473 54.448 54.840 0.135 0.000 0.836 442 L CB 0.085 42.178 42.059 0.058 0.000 1.105 442 L HN 0.702 nan 8.230 nan 0.000 0.477 443 Y N 4.236 124.554 120.300 0.031 0.000 2.677 443 Y HA -0.136 3.837 4.550 -0.963 0.000 0.335 443 Y C 1.159 177.052 175.900 -0.012 0.000 1.162 443 Y CA 0.470 58.583 58.100 0.021 0.000 1.483 443 Y CB -0.132 38.316 38.460 -0.020 0.000 1.209 443 Y HN 0.757 nan 8.280 nan 0.000 0.528 444 N N 4.042 122.448 118.700 -0.488 0.000 2.693 444 N HA -0.224 3.938 4.740 -0.963 0.000 0.249 444 N C 0.774 176.218 175.510 -0.110 0.000 1.119 444 N CA 1.630 54.495 53.050 -0.308 0.000 0.717 444 N CB -1.328 36.971 38.487 -0.313 0.000 1.071 444 N HN 1.370 nan 8.380 nan 0.000 0.555 445 G N -1.020 107.745 108.800 -0.058 0.000 2.187 445 G HA2 -0.357 3.025 3.960 -0.963 0.000 0.261 445 G HA3 -0.357 3.025 3.960 -0.963 0.000 0.261 445 G C -0.063 174.834 174.900 -0.005 0.000 1.000 445 G CA 1.400 46.491 45.100 -0.015 0.000 0.718 445 G HN 1.039 nan 8.290 nan 0.000 0.519 446 K N -1.256 119.143 120.400 -0.001 0.000 2.548 446 K HA 0.743 4.485 4.320 -0.963 0.000 0.282 446 K C -0.102 176.493 176.600 -0.008 0.000 1.006 446 K CA -1.440 54.844 56.287 -0.005 0.000 0.892 446 K CB 1.124 33.620 32.500 -0.007 0.000 1.499 446 K HN 0.076 nan 8.250 nan 0.000 0.433 447 L N 1.705 122.907 121.223 -0.035 0.000 2.461 447 L HA 0.208 3.970 4.340 -0.963 0.000 0.272 447 L C 0.415 177.264 176.870 -0.035 0.000 1.197 447 L CA -0.213 54.589 54.840 -0.064 0.000 0.836 447 L CB 0.252 42.262 42.059 -0.082 0.000 1.105 447 L HN 0.509 nan 8.230 nan 0.000 0.477 448 M N 2.259 121.828 119.600 -0.052 0.000 2.216 448 M HA 0.169 4.071 4.480 -0.963 0.000 0.356 448 M C 0.138 176.421 176.300 -0.028 0.000 1.205 448 M CA -0.538 54.742 55.300 -0.034 0.000 1.122 448 M CB 0.977 33.542 32.600 -0.059 0.000 1.571 448 M HN 0.461 nan 8.290 nan 0.000 0.464 449 E N 1.425 121.624 120.200 -0.002 0.000 2.404 449 E HA -0.039 3.733 4.350 -0.963 0.000 0.261 449 E C 0.396 177.033 176.600 0.061 0.000 1.074 449 E CA 0.114 56.532 56.400 0.029 0.000 0.917 449 E CB 0.530 30.249 29.700 0.031 0.000 0.965 449 E HN 0.596 nan 8.360 nan 0.000 0.433 450 F N 3.236 123.164 119.950 -0.037 0.000 2.102 450 F HA -0.235 3.715 4.527 -0.961 0.000 0.298 450 F C 1.531 177.368 175.800 0.062 0.000 1.105 450 F CA 1.704 59.695 58.000 -0.015 0.000 1.239 450 F CB 0.022 38.983 39.000 -0.064 0.000 0.991 450 F HN 0.334 nan 8.300 nan 0.000 0.474 451 N N -0.105 118.583 118.700 -0.019 0.000 2.188 451 N HA -0.180 3.982 4.740 -0.963 0.000 0.184 451 N C 2.181 177.594 175.510 -0.162 0.000 1.018 451 N CA 1.326 54.302 53.050 -0.124 0.000 0.858 451 N CB -0.873 37.627 38.487 0.022 0.000 0.989 451 N HN 0.363 nan 8.380 nan 0.000 0.426 452 S N -0.043 115.602 115.700 -0.092 0.000 2.359 452 S HA -0.175 3.717 4.470 -0.963 0.000 0.224 452 S C 1.766 176.258 174.600 -0.179 0.000 1.035 452 S CA 1.326 59.467 58.200 -0.099 0.000 1.018 452 S CB -0.402 62.764 63.200 -0.056 0.000 0.876 452 S HN 0.577 nan 8.310 nan 0.000 0.448 453 W N 1.711 122.773 121.300 -0.397 0.000 2.355 453 W HA -0.106 3.975 4.660 -0.964 0.000 0.309 453 W C 1.977 178.141 176.519 -0.591 0.000 1.206 453 W CA 1.608 58.649 57.345 -0.507 0.000 1.284 453 W CB -0.686 28.473 29.460 -0.502 0.000 1.145 453 W HN 0.107 nan 8.180 nan 0.000 0.502 454 V N 1.346 120.903 119.914 -0.595 0.000 2.287 454 V HA -0.352 3.190 4.120 -0.963 0.000 0.248 454 V C 2.079 177.806 176.094 -0.611 0.000 1.053 454 V CA 2.443 64.278 62.300 -0.776 0.000 1.027 454 V CB -1.091 30.370 31.823 -0.603 0.000 0.646 454 V HN 0.098 nan 8.190 nan 0.000 0.447 455 D N -1.000 119.166 120.400 -0.390 0.000 2.104 455 D HA -0.202 3.860 4.640 -0.963 0.000 0.194 455 D C 2.117 178.242 176.300 -0.291 0.000 0.994 455 D CA 1.781 55.628 54.000 -0.255 0.000 0.830 455 D CB -0.353 40.360 40.800 -0.145 0.000 0.959 455 D HN 0.594 nan 8.370 nan 0.000 0.452 456 H N -0.758 118.025 119.070 -0.478 0.000 2.387 456 H HA -0.006 3.972 4.556 -0.964 0.000 0.299 456 H C 1.766 176.769 175.328 -0.541 0.000 1.090 456 H CA 1.271 57.038 56.048 -0.468 0.000 1.332 456 H CB 0.163 29.574 29.762 -0.585 0.000 1.386 456 H HN -0.015 nan 8.280 nan 0.000 0.516 457 M N -0.801 118.301 119.600 -0.830 0.000 2.476 457 M HA 0.021 3.923 4.480 -0.963 0.000 0.262 457 M C 1.809 177.808 176.300 -0.502 0.000 1.111 457 M CA 1.293 56.008 55.300 -0.976 0.000 1.127 457 M CB -0.585 30.728 32.600 -2.144 0.000 1.376 457 M HN 0.457 nan 8.290 nan 0.000 0.465 458 T N -3.846 110.474 114.554 -0.389 0.000 3.010 458 T HA 0.131 3.903 4.350 -0.963 0.000 0.257 458 T C 0.608 175.288 174.700 -0.033 0.000 1.020 458 T CA -0.079 61.961 62.100 -0.100 0.000 0.938 458 T CB -0.261 68.578 68.868 -0.050 0.000 1.049 458 T HN 0.097 nan 8.240 nan 0.000 0.522 459 T N 5.111 119.617 114.554 -0.081 0.000 2.727 459 T HA 0.423 4.195 4.350 -0.963 0.000 0.295 459 T C -2.584 172.131 174.700 0.025 0.000 0.915 459 T CA -0.943 61.140 62.100 -0.029 0.000 1.066 459 T CB 0.943 69.773 68.868 -0.063 0.000 0.891 459 T HN 0.222 nan 8.240 nan 0.000 0.516 460 P HA 0.186 nan 4.420 nan 0.000 0.272 460 P C -1.584 175.755 177.300 0.066 0.000 1.223 460 P CA -1.304 61.880 63.100 0.141 0.000 0.784 460 P CB 0.206 32.050 31.700 0.240 0.000 0.923 461 P HA 0.164 nan 4.420 nan 0.000 0.255 461 P C 0.114 177.440 177.300 0.044 0.000 1.248 461 P CA 0.320 63.469 63.100 0.082 0.000 0.807 461 P CB 0.061 31.788 31.700 0.045 0.000 1.150 462 G N -0.027 108.813 108.800 0.066 0.000 2.697 462 G HA2 0.222 3.604 3.960 -0.963 0.000 0.686 462 G HA3 0.222 3.604 3.960 -0.963 0.000 0.686 462 G C -0.549 174.396 174.900 0.074 0.000 1.179 462 G CA -0.549 44.638 45.100 0.145 0.000 0.765 462 G HN 0.357 nan 8.290 nan 0.000 0.649 463 A N 0.310 123.181 122.820 0.086 0.000 2.287 463 A HA 0.759 4.501 4.320 -0.963 0.000 0.273 463 A C 0.990 178.618 177.584 0.074 0.000 1.091 463 A CA 0.402 52.469 52.037 0.050 0.000 0.817 463 A CB 1.052 20.016 19.000 -0.059 0.000 1.069 463 A HN 1.476 nan 8.150 nan 0.000 0.492 464 N N -0.813 117.923 118.700 0.060 0.000 2.204 464 N HA 0.049 4.211 4.740 -0.963 0.000 0.219 464 N C -0.169 175.364 175.510 0.039 0.000 1.151 464 N CA 0.567 53.612 53.050 -0.007 0.000 0.867 464 N CB 0.437 38.925 38.487 0.002 0.000 1.043 464 N HN 0.634 nan 8.380 nan 0.000 0.516 465 D N -0.870 119.651 120.400 0.201 0.000 2.462 465 D HA 0.038 4.100 4.640 -0.963 0.000 0.221 465 D C -0.106 176.503 176.300 0.516 0.000 1.173 465 D CA -0.523 53.674 54.000 0.329 0.000 0.831 465 D CB -0.530 40.519 40.800 0.415 0.000 1.001 465 D HN 0.253 nan 8.370 nan 0.000 0.499 466 W N 0.134 121.595 121.300 0.269 0.000 2.962 466 W HA 0.557 4.640 4.660 -0.962 0.000 0.341 466 W C -0.827 175.801 176.519 0.183 0.000 1.155 466 W CA -0.693 56.796 57.345 0.241 0.000 1.165 466 W CB 0.899 30.458 29.460 0.164 0.000 1.435 466 W HN -0.342 nan 8.180 nan 0.000 0.546 467 D N 0.784 121.362 120.400 0.296 0.000 2.531 467 D HA 0.241 4.303 4.640 -0.963 0.000 0.263 467 D C 0.310 176.828 176.300 0.363 0.000 1.057 467 D CA 0.673 54.724 54.000 0.085 0.000 0.909 467 D CB 1.789 42.613 40.800 0.039 0.000 1.236 467 D HN 0.165 nan 8.370 nan 0.000 0.494 468 I N 0.402 121.335 120.570 0.604 0.000 2.545 468 I HA 0.299 3.891 4.170 -0.963 0.000 0.292 468 I C -0.268 176.283 176.117 0.724 0.000 1.040 468 I CA -0.267 61.381 61.300 0.580 0.000 1.068 468 I CB 2.708 40.807 38.000 0.166 0.000 1.251 468 I HN -0.248 nan 8.210 nan 0.000 0.424 469 T N 3.116 118.019 114.554 0.581 0.000 2.816 469 T HA 0.392 4.164 4.350 -0.963 0.000 0.299 469 T C -1.871 173.087 174.700 0.430 0.000 1.230 469 T CA -0.609 61.727 62.100 0.392 0.000 1.007 469 T CB 1.738 70.557 68.868 -0.081 0.000 1.289 469 T HN 0.502 nan 8.240 nan 0.000 0.508 470 D N 0.469 121.059 120.400 0.317 0.000 2.252 470 D HA 0.618 4.680 4.640 -0.963 0.000 0.245 470 D C -0.135 176.241 176.300 0.128 0.000 1.009 470 D CA -0.222 53.924 54.000 0.242 0.000 0.870 470 D CB 1.919 42.801 40.800 0.136 0.000 1.251 470 D HN 0.744 nan 8.370 nan 0.000 0.460 471 G N -0.599 108.378 108.800 0.294 0.000 2.605 471 G HA2 0.618 4.000 3.960 -0.963 0.000 0.296 471 G HA3 0.618 4.000 3.960 -0.963 0.000 0.296 471 G C -1.211 173.655 174.900 -0.057 0.000 1.304 471 G CA -0.746 44.448 45.100 0.156 0.000 0.941 471 G HN 0.451 nan 8.290 nan 0.000 0.475 472 S N -1.055 114.404 115.700 -0.403 0.000 2.543 472 S HA 0.687 4.579 4.470 -0.963 0.000 0.271 472 S C -1.889 172.360 174.600 -0.586 0.000 1.148 472 S CA -0.896 57.065 58.200 -0.399 0.000 0.914 472 S CB 1.163 64.233 63.200 -0.217 0.000 1.096 472 S HN 0.676 nan 8.310 nan 0.000 0.471 473 W N 1.036 122.224 121.300 -0.188 0.000 2.819 473 W HA 0.627 4.707 4.660 -0.967 0.000 0.337 473 W C -0.384 176.108 176.519 -0.045 0.000 1.077 473 W CA -0.658 56.659 57.345 -0.048 0.000 1.226 473 W CB 2.376 31.838 29.460 0.003 0.000 1.419 473 W HN 0.646 nan 8.180 nan 0.000 0.502 474 S N 3.280 119.173 115.700 0.321 0.000 2.411 474 S HA 0.464 4.356 4.470 -0.963 0.000 0.294 474 S C -0.266 174.479 174.600 0.241 0.000 1.115 474 S CA -0.646 57.718 58.200 0.274 0.000 1.071 474 S CB 0.005 63.336 63.200 0.217 0.000 0.967 474 S HN 0.231 nan 8.310 nan 0.000 0.488 475 L N 2.870 124.220 121.223 0.212 0.000 2.350 475 L HA 0.527 4.289 4.340 -0.963 0.000 0.275 475 L C 0.869 177.790 176.870 0.084 0.000 1.099 475 L CA -0.747 54.182 54.840 0.149 0.000 0.808 475 L CB 0.691 42.870 42.059 0.200 0.000 1.149 475 L HN 0.641 nan 8.230 nan 0.000 0.442 476 A N 1.562 124.391 122.820 0.014 0.000 2.386 476 A HA 0.209 3.951 4.320 -0.963 0.000 0.246 476 A C 1.111 178.672 177.584 -0.039 0.000 1.089 476 A CA 0.123 52.131 52.037 -0.049 0.000 0.790 476 A CB 0.263 19.215 19.000 -0.081 0.000 1.042 476 A HN 0.862 nan 8.150 nan 0.000 0.497 477 S N -0.789 114.818 115.700 -0.155 0.000 2.607 477 S HA 0.059 3.951 4.470 -0.963 0.000 0.224 477 S C 0.355 174.997 174.600 0.070 0.000 0.969 477 S CA 0.800 58.904 58.200 -0.161 0.000 0.927 477 S CB -0.196 62.567 63.200 -0.728 0.000 0.772 477 S HN 0.746 nan 8.310 nan 0.000 0.533 478 E N 3.013 123.184 120.200 -0.050 0.000 2.063 478 E HA 0.312 4.084 4.350 -0.963 0.000 0.265 478 E C -2.714 173.758 176.600 -0.213 0.000 0.919 478 E CA -2.676 53.670 56.400 -0.090 0.000 0.756 478 E CB 1.122 30.781 29.700 -0.069 0.000 1.120 478 E HN 0.036 nan 8.360 nan 0.000 0.414 479 P HA 0.055 nan 4.420 nan 0.000 0.218 479 P C -0.375 176.786 177.300 -0.232 0.000 1.793 479 P CA -0.255 62.568 63.100 -0.463 0.000 0.941 479 P CB -0.132 30.958 31.700 -1.016 0.000 1.919 480 S N 1.317 116.913 115.700 -0.173 0.000 2.544 480 S HA -0.013 3.879 4.470 -0.963 0.000 0.290 480 S C 1.248 175.762 174.600 -0.142 0.000 1.276 480 S CA -0.043 58.072 58.200 -0.142 0.000 1.075 480 S CB 0.217 63.329 63.200 -0.148 0.000 0.849 480 S HN 0.170 nan 8.310 nan 0.000 0.494 481 Q N 3.103 122.825 119.800 -0.130 0.000 2.402 481 Q HA 0.060 3.822 4.340 -0.963 0.000 0.206 481 Q C 1.905 177.848 176.000 -0.094 0.000 0.919 481 Q CA 0.445 56.218 55.803 -0.051 0.000 0.923 481 Q CB -0.063 28.609 28.738 -0.110 0.000 1.048 481 Q HN 0.765 nan 8.270 nan 0.000 0.515 482 Q N 1.254 120.960 119.800 -0.157 0.000 2.096 482 Q HA -0.160 3.602 4.340 -0.963 0.000 0.204 482 Q C 1.446 177.334 176.000 -0.187 0.000 0.982 482 Q CA 1.597 57.315 55.803 -0.141 0.000 0.850 482 Q CB -0.130 28.529 28.738 -0.132 0.000 0.901 482 Q HN 0.600 nan 8.270 nan 0.000 0.422 483 D N -0.365 119.888 120.400 -0.246 0.000 2.348 483 D HA -0.100 3.962 4.640 -0.963 0.000 0.216 483 D C 1.733 177.772 176.300 -0.434 0.000 0.970 483 D CA 0.487 54.295 54.000 -0.319 0.000 0.889 483 D CB -0.082 40.529 40.800 -0.315 0.000 0.912 483 D HN 0.266 nan 8.370 nan 0.000 0.524 484 L N -1.656 119.239 121.223 -0.546 0.000 2.388 484 L HA 0.170 3.932 4.340 -0.963 0.000 0.209 484 L C 1.097 177.412 176.870 -0.925 0.000 1.061 484 L CA 0.350 54.618 54.840 -0.954 0.000 0.834 484 L CB 0.107 41.283 42.059 -1.471 0.000 1.029 484 L HN -0.131 nan 8.230 nan 0.000 0.473 485 F N -0.937 118.960 119.950 -0.087 0.000 2.856 485 F HA 0.177 4.127 4.527 -0.963 0.000 0.338 485 F C 1.380 177.097 175.800 -0.138 0.000 1.100 485 F CA -0.787 57.205 58.000 -0.012 0.000 1.150 485 F CB -0.043 39.128 39.000 0.286 0.000 1.101 485 F HN -0.140 nan 8.300 nan 0.000 0.548 486 S N 0.545 116.230 115.700 -0.025 0.000 2.608 486 S HA 0.507 4.399 4.470 -0.963 0.000 0.261 486 S C 1.566 176.086 174.600 -0.134 0.000 1.314 486 S CA -0.060 58.106 58.200 -0.057 0.000 0.992 486 S CB 1.500 64.663 63.200 -0.062 0.000 0.935 486 S HN 0.189 nan 8.310 nan 0.000 0.564 487 A N 1.095 123.856 122.820 -0.100 0.000 2.019 487 A HA 0.239 3.981 4.320 -0.963 0.000 0.219 487 A C 2.136 179.711 177.584 -0.016 0.000 1.164 487 A CA 1.413 53.392 52.037 -0.096 0.000 0.644 487 A CB -1.312 17.652 19.000 -0.059 0.000 0.805 487 A HN 1.343 nan 8.150 nan 0.000 0.449 488 A N -0.911 121.908 122.820 -0.001 0.000 2.238 488 A HA 0.614 4.356 4.320 -0.963 0.000 0.210 488 A C 1.234 178.877 177.584 0.098 0.000 1.179 488 A CA 0.598 52.680 52.037 0.075 0.000 0.827 488 A CB -0.534 18.481 19.000 0.025 0.000 0.856 488 A HN 0.883 nan 8.150 nan 0.000 0.488 489 A N 0.996 123.787 122.820 -0.048 0.000 2.404 489 A HA 0.525 4.267 4.320 -0.963 0.000 0.273 489 A C -1.291 176.073 177.584 -0.367 0.000 1.144 489 A CA -1.162 50.754 52.037 -0.201 0.000 0.806 489 A CB 0.189 19.040 19.000 -0.248 0.000 1.080 489 A HN 0.160 nan 8.150 nan 0.000 0.509 490 P HA -0.128 nan 4.420 nan 0.000 0.222 490 P C 0.500 177.660 177.300 -0.234 0.000 1.147 490 P CA 1.171 63.789 63.100 -0.803 0.000 0.790 490 P CB 0.048 31.410 31.700 -0.564 0.000 0.780 491 Y N -0.962 119.111 120.300 -0.377 0.000 2.529 491 Y HA 0.098 4.069 4.550 -0.965 0.000 0.290 491 Y C 1.120 176.535 175.900 -0.809 0.000 1.177 491 Y CA -0.717 57.067 58.100 -0.526 0.000 1.305 491 Y CB -1.453 36.706 38.460 -0.503 0.000 1.047 491 Y HN -0.001 nan 8.280 nan 0.000 0.522 492 N N 1.090 119.604 118.700 -0.309 0.000 2.819 492 N HA -0.054 4.108 4.740 -0.963 0.000 0.284 492 N C 0.474 175.898 175.510 -0.143 0.000 1.196 492 N CA 0.069 53.004 53.050 -0.192 0.000 1.114 492 N CB -0.648 37.728 38.487 -0.185 0.000 1.437 492 N HN -0.083 nan 8.380 nan 0.000 0.518 493 F N 0.454 120.346 119.950 -0.098 0.000 2.216 493 F HA 0.059 4.007 4.527 -0.965 0.000 0.300 493 F C 2.332 177.909 175.800 -0.371 0.000 1.085 493 F CA 1.043 58.849 58.000 -0.322 0.000 1.326 493 F CB -0.709 37.953 39.000 -0.563 0.000 1.027 493 F HN 0.501 nan 8.300 nan 0.000 0.497 494 G N -2.537 106.361 108.800 0.162 0.000 2.986 494 G HA2 -0.014 3.368 3.960 -0.963 0.000 0.213 494 G HA3 -0.014 3.368 3.960 -0.963 0.000 0.213 494 G C -0.052 174.882 174.900 0.056 0.000 1.156 494 G CA 0.209 45.422 45.100 0.190 0.000 0.763 494 G HN 0.538 nan 8.290 nan 0.000 0.547 495 H N -1.055 118.157 119.070 0.236 0.000 2.886 495 H HA -0.175 3.804 4.556 -0.963 0.000 0.294 495 H C 0.243 175.573 175.328 0.004 0.000 1.246 495 H CA 0.832 56.923 56.048 0.072 0.000 1.142 495 H CB -2.696 27.117 29.762 0.085 0.000 1.358 495 H HN 0.615 nan 8.280 nan 0.000 0.406 496 F N 0.295 120.260 119.950 0.024 0.000 2.410 496 F HA 0.552 4.501 4.527 -0.964 0.000 0.334 496 F C 0.392 176.094 175.800 -0.163 0.000 1.134 496 F CA -0.914 56.949 58.000 -0.228 0.000 1.227 496 F CB 0.848 39.457 39.000 -0.651 0.000 1.194 496 F HN 0.062 nan 8.300 nan 0.000 0.571 497 N N 2.278 120.949 118.700 -0.048 0.000 2.571 497 N HA 0.176 4.338 4.740 -0.963 0.000 0.286 497 N C -2.516 173.038 175.510 0.074 0.000 1.138 497 N CA -0.396 52.632 53.050 -0.036 0.000 0.859 497 N CB 1.169 39.625 38.487 -0.052 0.000 1.414 497 N HN 0.896 nan 8.380 nan 0.000 0.529 498 D N 1.980 122.487 120.400 0.177 0.000 2.788 498 D HA 0.278 4.340 4.640 -0.963 0.000 0.247 498 D C 0.149 176.559 176.300 0.183 0.000 1.236 498 D CA -0.255 53.880 54.000 0.225 0.000 0.898 498 D CB 1.862 42.900 40.800 0.396 0.000 1.401 498 D HN 0.322 nan 8.370 nan 0.000 0.549 499 S N 2.591 118.369 115.700 0.131 0.000 2.382 499 S HA -0.167 3.725 4.470 -0.963 0.000 0.228 499 S C 1.534 176.196 174.600 0.103 0.000 1.027 499 S CA 1.014 59.272 58.200 0.096 0.000 0.991 499 S CB 0.094 63.337 63.200 0.072 0.000 0.823 499 S HN 0.691 nan 8.310 nan 0.000 0.469 500 E N 0.630 120.901 120.200 0.119 0.000 2.072 500 E HA -0.111 3.661 4.350 -0.963 0.000 0.191 500 E C 1.767 178.447 176.600 0.134 0.000 0.985 500 E CA 0.895 57.358 56.400 0.105 0.000 0.801 500 E CB -0.003 29.750 29.700 0.087 0.000 0.750 500 E HN 0.314 nan 8.360 nan 0.000 0.452 501 I N 1.239 121.927 120.570 0.198 0.000 2.252 501 I HA -0.180 3.412 4.170 -0.963 0.000 0.245 501 I C 2.345 178.598 176.117 0.227 0.000 1.102 501 I CA 1.184 62.644 61.300 0.266 0.000 1.385 501 I CB -1.473 36.778 38.000 0.417 0.000 1.064 501 I HN 0.164 nan 8.210 nan 0.000 0.414 502 T N 0.942 115.600 114.554 0.173 0.000 2.720 502 T HA -0.225 3.547 4.350 -0.963 0.000 0.268 502 T C 2.008 176.743 174.700 0.059 0.000 1.037 502 T CA 1.497 63.656 62.100 0.098 0.000 1.144 502 T CB -0.133 68.776 68.868 0.068 0.000 0.864 502 T HN 0.290 nan 8.240 nan 0.000 0.444 503 K N 0.644 121.083 120.400 0.064 0.000 2.057 503 K HA -0.180 3.562 4.320 -0.963 0.000 0.207 503 K C 1.749 178.367 176.600 0.031 0.000 1.049 503 K CA 1.715 58.027 56.287 0.041 0.000 0.931 503 K CB -0.158 32.370 32.500 0.047 0.000 0.714 503 K HN 0.208 nan 8.250 nan 0.000 0.440 504 D N 0.952 121.390 120.400 0.064 0.000 2.097 504 D HA -0.141 3.921 4.640 -0.963 0.000 0.195 504 D C 2.055 178.322 176.300 -0.054 0.000 0.989 504 D CA 0.959 54.994 54.000 0.059 0.000 0.827 504 D CB -0.213 40.706 40.800 0.198 0.000 0.966 504 D HN 0.206 nan 8.370 nan 0.000 0.456 505 L N 0.797 121.985 121.223 -0.058 0.000 2.046 505 L HA -0.178 3.584 4.340 -0.963 0.000 0.208 505 L C 2.032 178.792 176.870 -0.182 0.000 1.077 505 L CA 0.922 55.636 54.840 -0.210 0.000 0.747 505 L CB -0.419 41.564 42.059 -0.127 0.000 0.896 505 L HN -0.011 nan 8.230 nan 0.000 0.432 506 N N -0.277 118.367 118.700 -0.093 0.000 2.166 506 N HA -0.201 3.961 4.740 -0.963 0.000 0.186 506 N C 1.533 176.993 175.510 -0.083 0.000 1.019 506 N CA 1.318 54.320 53.050 -0.080 0.000 0.856 506 N CB -0.371 38.092 38.487 -0.038 0.000 0.993 506 N HN 0.290 nan 8.380 nan 0.000 0.426 507 D N 0.706 121.066 120.400 -0.065 0.000 2.144 507 D HA 0.025 4.087 4.640 -0.963 0.000 0.200 507 D C 1.947 178.215 176.300 -0.055 0.000 0.978 507 D CA 0.391 54.386 54.000 -0.008 0.000 0.833 507 D CB -0.101 40.711 40.800 0.019 0.000 0.961 507 D HN 0.193 nan 8.370 nan 0.000 0.470 508 I N 0.375 120.807 120.570 -0.230 0.000 2.335 508 I HA -0.210 3.382 4.170 -0.963 0.000 0.251 508 I C 0.940 176.880 176.117 -0.296 0.000 1.129 508 I CA 1.154 62.198 61.300 -0.427 0.000 1.402 508 I CB -0.021 37.470 38.000 -0.849 0.000 1.069 508 I HN -0.047 nan 8.210 nan 0.000 0.424 509 D N 0.082 120.353 120.400 -0.215 0.000 2.368 509 D HA 0.090 4.152 4.640 -0.963 0.000 0.218 509 D C 0.784 177.015 176.300 -0.114 0.000 1.112 509 D CA 0.159 54.063 54.000 -0.160 0.000 0.834 509 D CB 0.215 40.922 40.800 -0.154 0.000 0.953 509 D HN 0.253 nan 8.370 nan 0.000 0.505 510 S N -0.554 115.098 115.700 -0.080 0.000 2.645 510 S HA 0.496 4.388 4.470 -0.963 0.000 0.266 510 S C 1.591 176.135 174.600 -0.093 0.000 1.258 510 S CA -0.208 57.949 58.200 -0.073 0.000 0.990 510 S CB 2.084 65.259 63.200 -0.041 0.000 0.967 510 S HN 0.010 nan 8.310 nan 0.000 0.556 511 A N 1.264 124.019 122.820 -0.108 0.000 1.940 511 A HA -0.081 3.661 4.320 -0.963 0.000 0.219 511 A C 2.133 179.616 177.584 -0.168 0.000 1.176 511 A CA 1.506 53.472 52.037 -0.117 0.000 0.631 511 A CB -0.874 18.065 19.000 -0.102 0.000 0.814 511 A HN 0.904 nan 8.150 nan 0.000 0.446 512 K N -0.105 120.131 120.400 -0.273 0.000 2.211 512 K HA -0.059 3.683 4.320 -0.963 0.000 0.204 512 K C 1.722 178.025 176.600 -0.495 0.000 1.047 512 K CA 1.326 57.271 56.287 -0.570 0.000 0.935 512 K CB -0.142 31.727 32.500 -1.052 0.000 0.728 512 K HN 0.376 nan 8.250 nan 0.000 0.452 513 S N 1.116 116.730 115.700 -0.144 0.000 2.607 513 S HA -0.016 3.876 4.470 -0.963 0.000 0.224 513 S C 0.989 175.634 174.600 0.075 0.000 0.969 513 S CA 0.408 58.683 58.200 0.126 0.000 0.927 513 S CB -0.064 63.217 63.200 0.135 0.000 0.772 513 S HN 0.299 nan 8.310 nan 0.000 0.533 514 E N 1.753 121.951 120.200 -0.003 0.000 2.265 514 E HA -0.066 3.706 4.350 -0.963 0.000 0.196 514 E C 0.866 177.500 176.600 0.055 0.000 0.996 514 E CA 0.309 56.721 56.400 0.020 0.000 0.832 514 E CB 0.013 29.702 29.700 -0.019 0.000 0.756 514 E HN 0.341 nan 8.360 nan 0.000 0.491 515 N N 1.035 119.768 118.700 0.056 0.000 2.408 515 N HA 0.014 4.176 4.740 -0.963 0.000 0.257 515 N C -2.078 173.534 175.510 0.171 0.000 1.064 515 N CA -1.651 51.457 53.050 0.096 0.000 0.952 515 N CB 1.270 39.808 38.487 0.085 0.000 1.093 515 N HN -0.218 nan 8.380 nan 0.000 0.490 516 P HA -0.080 nan 4.420 nan 0.000 0.216 516 P C 1.061 178.477 177.300 0.193 0.000 1.150 516 P CA 1.425 64.636 63.100 0.185 0.000 0.837 516 P CB 0.258 32.030 31.700 0.120 0.000 0.786 517 T N -1.755 112.893 114.554 0.157 0.000 2.777 517 T HA -0.184 3.588 4.350 -0.963 0.000 0.266 517 T C 1.637 176.436 174.700 0.165 0.000 1.040 517 T CA 1.091 63.274 62.100 0.138 0.000 1.141 517 T CB -1.076 67.856 68.868 0.106 0.000 0.868 517 T HN 0.094 nan 8.240 nan 0.000 0.444 518 Y N 1.825 122.173 120.300 0.080 0.000 2.145 518 Y HA -0.140 3.832 4.550 -0.964 0.000 0.286 518 Y C 2.745 178.700 175.900 0.092 0.000 1.145 518 Y CA 1.521 59.663 58.100 0.069 0.000 1.148 518 Y CB -0.100 38.386 38.460 0.043 0.000 0.981 518 Y HN -0.046 nan 8.280 nan 0.000 0.507 519 R N 0.556 121.253 120.500 0.328 0.000 2.096 519 R HA -0.205 3.557 4.340 -0.963 0.000 0.235 519 R C 2.433 178.934 176.300 0.334 0.000 1.127 519 R CA 1.870 58.142 56.100 0.287 0.000 0.968 519 R CB -0.245 30.271 30.300 0.360 0.000 0.861 519 R HN 0.321 nan 8.270 nan 0.000 0.440 520 K N -0.162 120.444 120.400 0.343 0.000 2.026 520 K HA -0.123 3.619 4.320 -0.963 0.000 0.208 520 K C 1.913 178.647 176.600 0.223 0.000 1.048 520 K CA 1.479 57.977 56.287 0.351 0.000 0.929 520 K CB -0.181 32.449 32.500 0.216 0.000 0.713 520 K HN 0.222 nan 8.250 nan 0.000 0.439 521 A N 1.006 123.873 122.820 0.079 0.000 1.908 521 A HA -0.146 3.596 4.320 -0.963 0.000 0.218 521 A C 2.328 179.885 177.584 -0.046 0.000 1.181 521 A CA 2.018 54.045 52.037 -0.017 0.000 0.627 521 A CB -0.872 18.053 19.000 -0.125 0.000 0.818 521 A HN 0.515 nan 8.150 nan 0.000 0.445 522 A N -1.398 121.352 122.820 -0.117 0.000 1.898 522 A HA 0.038 3.780 4.320 -0.963 0.000 0.216 522 A C 1.947 179.512 177.584 -0.031 0.000 1.181 522 A CA 1.443 53.394 52.037 -0.144 0.000 0.620 522 A CB -0.705 18.163 19.000 -0.220 0.000 0.819 522 A HN 0.440 nan 8.150 nan 0.000 0.442 523 F N -0.169 119.798 119.950 0.029 0.000 2.171 523 F HA -0.144 3.805 4.527 -0.963 0.000 0.300 523 F C 2.466 178.363 175.800 0.162 0.000 1.090 523 F CA 1.521 59.579 58.000 0.097 0.000 1.293 523 F CB -0.432 38.620 39.000 0.087 0.000 1.013 523 F HN 0.033 nan 8.300 nan 0.000 0.486 524 V N -0.015 120.079 119.914 0.299 0.000 2.307 524 V HA -0.310 3.232 4.120 -0.963 0.000 0.245 524 V C 2.445 178.609 176.094 0.117 0.000 1.045 524 V CA 2.066 64.476 62.300 0.183 0.000 1.024 524 V CB -0.580 31.319 31.823 0.125 0.000 0.651 524 V HN 0.248 nan 8.190 nan 0.000 0.449 525 K N -0.651 119.801 120.400 0.086 0.000 2.032 525 K HA -0.273 3.469 4.320 -0.963 0.000 0.209 525 K C 2.287 178.926 176.600 0.064 0.000 1.048 525 K CA 2.229 58.544 56.287 0.047 0.000 0.927 525 K CB -0.452 32.059 32.500 0.018 0.000 0.712 525 K HN 0.532 nan 8.250 nan 0.000 0.441 526 Y N 1.735 122.030 120.300 -0.009 0.000 2.114 526 Y HA -0.288 3.683 4.550 -0.964 0.000 0.282 526 Y C 2.034 177.936 175.900 0.003 0.000 1.165 526 Y CA 2.115 60.209 58.100 -0.010 0.000 1.148 526 Y CB -0.312 38.129 38.460 -0.032 0.000 0.972 526 Y HN 0.227 nan 8.280 nan 0.000 0.504 527 Q N 0.011 119.723 119.800 -0.147 0.000 2.119 527 Q HA -0.183 3.579 4.340 -0.963 0.000 0.201 527 Q C 2.145 178.033 176.000 -0.186 0.000 0.972 527 Q CA 1.789 57.449 55.803 -0.238 0.000 0.847 527 Q CB -0.163 28.585 28.738 0.017 0.000 0.903 527 Q HN 0.648 nan 8.270 nan 0.000 0.433 528 E N 0.756 120.900 120.200 -0.094 0.000 2.058 528 E HA -0.204 3.568 4.350 -0.963 0.000 0.194 528 E C 1.567 178.093 176.600 -0.122 0.000 0.997 528 E CA 1.299 57.650 56.400 -0.083 0.000 0.801 528 E CB 0.007 29.684 29.700 -0.039 0.000 0.746 528 E HN 0.322 nan 8.360 nan 0.000 0.450 529 D N 0.116 120.435 120.400 -0.135 0.000 2.117 529 D HA -0.126 3.936 4.640 -0.963 0.000 0.198 529 D C 1.930 178.093 176.300 -0.229 0.000 0.982 529 D CA 0.935 54.853 54.000 -0.137 0.000 0.828 529 D CB -0.088 40.667 40.800 -0.075 0.000 0.967 529 D HN 0.108 nan 8.370 nan 0.000 0.464 530 M N 0.582 119.973 119.600 -0.348 0.000 2.117 530 M HA -0.111 3.791 4.480 -0.963 0.000 0.262 530 M C 1.596 177.705 176.300 -0.317 0.000 1.065 530 M CA 1.018 56.062 55.300 -0.426 0.000 1.114 530 M CB -0.837 31.381 32.600 -0.637 0.000 1.361 530 M HN -0.001 nan 8.290 nan 0.000 0.408 531 N N 0.502 119.077 118.700 -0.209 0.000 2.142 531 N HA -0.139 4.023 4.740 -0.963 0.000 0.186 531 N C 1.646 177.143 175.510 -0.022 0.000 1.023 531 N CA 1.033 54.053 53.050 -0.050 0.000 0.852 531 N CB -0.378 38.081 38.487 -0.047 0.000 0.998 531 N HN 0.408 nan 8.380 nan 0.000 0.424 532 K N 1.448 121.787 120.400 -0.101 0.000 2.001 532 K HA -0.072 3.670 4.320 -0.963 0.000 0.208 532 K C 1.559 178.061 176.600 -0.163 0.000 1.048 532 K CA 1.217 57.453 56.287 -0.085 0.000 0.932 532 K CB 0.041 32.491 32.500 -0.084 0.000 0.715 532 K HN 0.055 nan 8.250 nan 0.000 0.437 533 K N -0.188 120.024 120.400 -0.314 0.000 2.097 533 K HA -0.037 3.705 4.320 -0.963 0.000 0.206 533 K C 0.915 177.105 176.600 -0.683 0.000 1.049 533 K CA 0.904 56.831 56.287 -0.601 0.000 0.933 533 K CB -0.133 31.816 32.500 -0.919 0.000 0.717 533 K HN 0.378 nan 8.250 nan 0.000 0.442 534 A N 0.152 122.680 122.820 -0.487 0.000 2.872 534 A HA -0.221 3.521 4.320 -0.963 0.000 0.273 534 A C 0.559 178.018 177.584 -0.208 0.000 1.442 534 A CA 0.990 52.838 52.037 -0.315 0.000 0.801 534 A CB -2.528 16.351 19.000 -0.203 0.000 1.031 534 A HN 0.405 nan 8.150 nan 0.000 0.582 535 Y N -0.976 119.194 120.300 -0.217 0.000 2.274 535 Y HA 0.154 4.126 4.550 -0.964 0.000 0.290 535 Y C 1.574 177.405 175.900 -0.115 0.000 1.145 535 Y CA 1.654 59.656 58.100 -0.163 0.000 1.203 535 Y CB -0.478 37.590 38.460 -0.653 0.000 0.984 535 Y HN 0.997 nan 8.280 nan 0.000 0.533 536 V N -2.478 117.325 119.914 -0.186 0.000 3.040 536 V HA 0.612 4.154 4.120 -0.963 0.000 0.312 536 V C -0.820 175.038 176.094 -0.394 0.000 1.115 536 V CA -1.444 60.647 62.300 -0.348 0.000 0.998 536 V CB 3.009 34.602 31.823 -0.383 0.000 1.042 536 V HN -0.124 nan 8.190 nan 0.000 0.433 537 I N 2.097 122.408 120.570 -0.432 0.000 2.439 537 I HA 0.521 4.113 4.170 -0.963 0.000 0.285 537 I C -2.768 173.203 176.117 -0.244 0.000 1.021 537 I CA -2.155 58.910 61.300 -0.390 0.000 1.091 537 I CB 1.779 39.463 38.000 -0.527 0.000 1.242 537 I HN 0.500 nan 8.210 nan 0.000 0.439 538 P HA 0.212 nan 4.420 nan 0.000 0.268 538 P C 0.272 177.506 177.300 -0.110 0.000 1.205 538 P CA 0.260 63.300 63.100 -0.100 0.000 0.771 538 P CB 1.126 32.782 31.700 -0.073 0.000 0.858 539 T N 0.821 115.318 114.554 -0.095 0.000 3.391 539 T HA 0.146 3.918 4.350 -0.963 0.000 0.233 539 T C 0.158 174.806 174.700 -0.087 0.000 0.960 539 T CA 0.418 62.479 62.100 -0.065 0.000 1.342 539 T CB -0.212 68.656 68.868 0.001 0.000 1.124 539 T HN 0.386 nan 8.240 nan 0.000 0.396 540 N N -0.193 118.490 118.700 -0.028 0.000 2.229 540 N HA 0.596 4.758 4.740 -0.963 0.000 0.298 540 N C -1.697 173.889 175.510 0.127 0.000 1.114 540 N CA -0.629 52.423 53.050 0.003 0.000 0.776 540 N CB 1.915 40.504 38.487 0.169 0.000 1.501 540 N HN 0.030 nan 8.380 nan 0.000 0.474 541 F N 0.866 120.964 119.950 0.247 0.000 2.411 541 F HA 0.603 4.552 4.527 -0.963 0.000 0.324 541 F C 0.476 176.393 175.800 0.195 0.000 1.086 541 F CA -0.546 57.624 58.000 0.284 0.000 1.028 541 F CB 0.714 39.828 39.000 0.189 0.000 1.284 541 F HN 0.093 nan 8.300 nan 0.000 0.501 542 M N 1.199 121.001 119.600 0.337 0.000 2.631 542 M HA 0.543 4.445 4.480 -0.963 0.000 0.288 542 M C -1.521 174.798 176.300 0.031 0.000 1.260 542 M CA -0.692 54.627 55.300 0.032 0.000 0.842 542 M CB 3.026 35.405 32.600 -0.368 0.000 1.743 542 M HN 0.306 nan 8.290 nan 0.000 0.461 543 L N 1.541 122.741 121.223 -0.039 0.000 2.346 543 L HA 0.543 4.305 4.340 -0.963 0.000 0.274 543 L C -0.636 176.144 176.870 -0.150 0.000 1.007 543 L CA -1.043 53.742 54.840 -0.090 0.000 0.818 543 L CB 1.794 43.780 42.059 -0.121 0.000 1.284 543 L HN 0.607 nan 8.230 nan 0.000 0.424 544 N N 1.315 119.913 118.700 -0.170 0.000 2.487 544 N HA 0.428 4.590 4.740 -0.963 0.000 0.292 544 N C -1.158 174.186 175.510 -0.277 0.000 1.108 544 N CA -0.334 52.596 53.050 -0.199 0.000 0.956 544 N CB 1.819 40.210 38.487 -0.160 0.000 1.176 544 N HN 0.444 nan 8.380 nan 0.000 0.484 545 Y N -1.978 118.124 120.300 -0.330 0.000 2.524 545 Y HA 0.738 4.715 4.550 -0.955 0.000 0.344 545 Y C -0.776 175.028 175.900 -0.160 0.000 1.012 545 Y CA -0.865 57.032 58.100 -0.338 0.000 1.068 545 Y CB 1.445 39.714 38.460 -0.318 0.000 1.249 545 Y HN 0.210 nan 8.280 nan 0.000 0.468 546 T N 4.616 119.146 114.554 -0.041 0.000 3.031 546 T HA 0.353 4.125 4.350 -0.963 0.000 0.305 546 T C -3.119 171.639 174.700 0.095 0.000 0.985 546 T CA -1.385 60.680 62.100 -0.058 0.000 1.008 546 T CB 1.606 70.422 68.868 -0.087 0.000 1.005 546 T HN 0.481 nan 8.240 nan 0.000 0.444 547 P HA 0.406 nan 4.420 nan 0.000 0.276 547 P C -0.971 176.454 177.300 0.209 0.000 1.230 547 P CA -0.391 62.802 63.100 0.155 0.000 0.776 547 P CB 0.976 32.689 31.700 0.022 0.000 0.888 548 V N 3.535 123.601 119.914 0.254 0.000 2.483 548 V HA 0.253 3.795 4.120 -0.963 0.000 0.297 548 V C 0.569 176.677 176.094 0.023 0.000 1.027 548 V CA -0.960 61.437 62.300 0.161 0.000 0.855 548 V CB 1.483 33.348 31.823 0.069 0.000 0.995 548 V HN 0.612 nan 8.190 nan 0.000 0.424 549 N N 3.628 122.256 118.700 -0.120 0.000 2.412 549 N HA 0.041 4.203 4.740 -0.963 0.000 0.254 549 N C 1.017 176.357 175.510 -0.284 0.000 1.232 549 N CA 0.215 52.919 53.050 -0.577 0.000 0.880 549 N CB 0.937 39.188 38.487 -0.392 0.000 1.076 549 N HN 0.632 nan 8.380 nan 0.000 0.458 550 K N 2.226 122.422 120.400 -0.341 0.000 2.442 550 K HA -0.151 3.591 4.320 -0.963 0.000 0.198 550 K C 1.685 178.368 176.600 0.139 0.000 1.044 550 K CA 0.849 57.067 56.287 -0.116 0.000 0.948 550 K CB 0.073 32.492 32.500 -0.134 0.000 0.762 550 K HN 0.616 nan 8.250 nan 0.000 0.472 551 R N 0.294 120.807 120.500 0.022 0.000 2.276 551 R HA 0.024 3.786 4.340 -0.963 0.000 0.203 551 R C 0.256 176.598 176.300 0.070 0.000 1.017 551 R CA 0.233 56.358 56.100 0.041 0.000 1.010 551 R CB -0.120 30.176 30.300 -0.007 0.000 0.900 551 R HN -0.166 nan 8.270 nan 0.000 0.469 552 V N 2.195 122.184 119.914 0.124 0.000 2.614 552 V HA 0.147 3.689 4.120 -0.963 0.000 0.291 552 V C 0.090 176.205 176.094 0.035 0.000 1.049 552 V CA -0.364 61.990 62.300 0.090 0.000 1.038 552 V CB 1.603 33.490 31.823 0.107 0.000 0.980 552 V HN 0.015 nan 8.190 nan 0.000 0.481 553 V N 3.414 123.307 119.914 -0.035 0.000 2.495 553 V HA 0.763 4.305 4.120 -0.963 0.000 0.298 553 V C 0.889 176.923 176.094 -0.099 0.000 1.031 553 V CA 0.392 62.623 62.300 -0.115 0.000 0.871 553 V CB 1.018 32.789 31.823 -0.086 0.000 0.988 553 V HN 1.168 nan 8.190 nan 0.000 0.432 554 G N 4.078 112.794 108.800 -0.140 0.000 2.136 554 G HA2 -0.244 3.138 3.960 -0.963 0.000 0.242 554 G HA3 -0.244 3.138 3.960 -0.963 0.000 0.242 554 G C -0.132 174.700 174.900 -0.115 0.000 0.989 554 G CA 0.340 45.371 45.100 -0.115 0.000 0.682 554 G HN 0.698 nan 8.290 nan 0.000 0.522 555 M N 1.500 121.046 119.600 -0.091 0.000 2.211 555 M HA 0.709 4.611 4.480 -0.963 0.000 0.356 555 M C 0.267 176.523 176.300 -0.073 0.000 1.216 555 M CA 0.092 55.341 55.300 -0.086 0.000 1.134 555 M CB 1.253 33.850 32.600 -0.006 0.000 1.564 555 M HN 0.473 nan 8.290 nan 0.000 0.463 556 T N 4.417 118.895 114.554 -0.126 0.000 2.942 556 T HA 0.479 4.251 4.350 -0.963 0.000 0.327 556 T C 0.034 174.630 174.700 -0.173 0.000 1.360 556 T CA -0.750 61.278 62.100 -0.120 0.000 1.055 556 T CB 0.692 69.487 68.868 -0.121 0.000 1.261 556 T HN 0.690 nan 8.240 nan 0.000 0.485 557 L N 1.720 122.833 121.223 -0.183 0.000 2.592 557 L HA 0.285 4.047 4.340 -0.963 0.000 0.227 557 L C 0.709 177.349 176.870 -0.383 0.000 1.127 557 L CA -0.116 54.561 54.840 -0.273 0.000 0.884 557 L CB -0.060 41.839 42.059 -0.267 0.000 1.065 557 L HN 0.650 nan 8.230 nan 0.000 0.457 558 D N -0.220 120.019 120.400 -0.269 0.000 2.520 558 D HA -0.159 3.903 4.640 -0.963 0.000 0.243 558 D C 0.858 177.025 176.300 -0.222 0.000 1.160 558 D CA 0.432 54.288 54.000 -0.240 0.000 0.877 558 D CB 0.584 41.295 40.800 -0.149 0.000 1.150 558 D HN 0.042 nan 8.370 nan 0.000 0.494 559 Y N 2.131 122.340 120.300 -0.151 0.000 2.483 559 Y HA 0.040 4.007 4.550 -0.971 0.000 0.291 559 Y C 2.446 178.231 175.900 -0.191 0.000 1.143 559 Y CA 1.159 59.162 58.100 -0.161 0.000 1.289 559 Y CB -0.027 38.243 38.460 -0.317 0.000 0.983 559 Y HN 0.581 nan 8.280 nan 0.000 0.556 560 G N -0.692 108.069 108.800 -0.066 0.000 2.985 560 G HA2 0.211 3.593 3.960 -0.963 0.000 0.209 560 G HA3 0.211 3.593 3.960 -0.963 0.000 0.209 560 G C 0.492 175.332 174.900 -0.100 0.000 1.165 560 G CA 0.259 45.306 45.100 -0.089 0.000 0.776 560 G HN 0.335 nan 8.290 nan 0.000 0.541 561 A N 0.952 123.704 122.820 -0.112 0.000 2.410 561 A HA 0.584 4.326 4.320 -0.963 0.000 0.292 561 A C 1.196 178.667 177.584 -0.187 0.000 1.232 561 A CA -0.178 51.774 52.037 -0.142 0.000 0.893 561 A CB 0.221 19.130 19.000 -0.151 0.000 1.131 561 A HN 0.150 nan 8.150 nan 0.000 0.530 562 M N 1.349 120.784 119.600 -0.275 0.000 2.465 562 M HA 0.105 4.007 4.480 -0.963 0.000 0.249 562 M C 0.305 176.403 176.300 -0.338 0.000 1.130 562 M CA 0.583 55.576 55.300 -0.513 0.000 1.067 562 M CB -0.345 31.510 32.600 -1.242 0.000 1.394 562 M HN 0.675 nan 8.290 nan 0.000 0.483 563 N N 0.068 118.667 118.700 -0.167 0.000 2.416 563 N HA 0.152 4.314 4.740 -0.963 0.000 0.267 563 N C 0.715 176.187 175.510 -0.064 0.000 1.294 563 N CA 0.138 53.168 53.050 -0.033 0.000 0.891 563 N CB 0.640 39.150 38.487 0.038 0.000 1.238 563 N HN 0.120 nan 8.380 nan 0.000 0.508 564 T N -0.866 113.578 114.554 -0.183 0.000 2.788 564 T HA -0.112 3.660 4.350 -0.963 0.000 0.268 564 T C 1.482 176.030 174.700 -0.252 0.000 1.044 564 T CA 1.129 63.053 62.100 -0.293 0.000 1.139 564 T CB -0.111 68.472 68.868 -0.475 0.000 0.867 564 T HN 0.457 nan 8.240 nan 0.000 0.454 565 W N 1.372 122.672 121.300 0.000 0.000 2.425 565 W HA 0.008 4.120 4.660 -0.913 0.000 0.277 565 W C 2.737 179.337 176.519 0.134 0.000 1.231 565 W CA 0.110 57.488 57.345 0.056 0.000 1.248 565 W CB -0.253 29.241 29.460 0.056 0.000 1.117 565 W HN 0.137 nan 8.180 nan 0.000 0.568 566 S N -0.084 115.737 115.700 0.202 0.000 2.425 566 S HA -0.088 3.804 4.470 -0.963 0.000 0.225 566 S C 1.355 175.999 174.600 0.073 0.000 1.024 566 S CA 0.935 59.192 58.200 0.095 0.000 0.951 566 S CB -0.096 63.127 63.200 0.038 0.000 0.796 566 S HN 0.332 nan 8.310 nan 0.000 0.498 567 E N 0.548 120.771 120.200 0.040 0.000 2.250 567 E HA 0.174 3.946 4.350 -0.963 0.000 0.192 567 E C 0.583 177.184 176.600 0.002 0.000 0.986 567 E CA -0.048 56.355 56.400 0.005 0.000 0.849 567 E CB 0.181 29.862 29.700 -0.032 0.000 0.797 567 E HN 0.409 nan 8.360 nan 0.000 0.482 568 I N 0.969 121.544 120.570 0.009 0.000 2.692 568 I HA 0.132 3.724 4.170 -0.963 0.000 0.284 568 I C 0.327 176.472 176.117 0.047 0.000 1.159 568 I CA 0.280 61.579 61.300 -0.001 0.000 1.423 568 I CB 0.521 38.500 38.000 -0.033 0.000 1.380 568 I HN -0.005 nan 8.210 nan 0.000 0.580 569 G N 5.767 114.581 108.800 0.022 0.000 2.749 569 G HA2 0.616 3.998 3.960 -0.963 0.000 0.300 569 G HA3 0.616 3.998 3.960 -0.963 0.000 0.300 569 G C -1.339 173.574 174.900 0.020 0.000 1.352 569 G CA -0.217 44.903 45.100 0.033 0.000 0.789 569 G HN 0.736 nan 8.290 nan 0.000 0.509 570 V N -2.050 117.876 119.914 0.021 0.000 2.914 570 V HA 0.753 4.295 4.120 -0.963 0.000 0.314 570 V C 0.915 177.012 176.094 0.005 0.000 1.084 570 V CA 0.281 62.591 62.300 0.016 0.000 0.963 570 V CB 1.498 33.335 31.823 0.023 0.000 1.025 570 V HN 1.282 nan 8.190 nan 0.000 0.432 571 S N 1.180 116.880 115.700 0.001 0.000 2.501 571 S HA 0.263 4.155 4.470 -0.963 0.000 0.220 571 S C 0.772 175.371 174.600 -0.001 0.000 0.997 571 S CA 0.456 58.652 58.200 -0.005 0.000 0.919 571 S CB -0.491 62.703 63.200 -0.009 0.000 0.778 571 S HN 1.792 nan 8.310 nan 0.000 0.523 572 S N 0.000 115.701 115.700 0.002 0.000 2.498 572 S HA 0.000 3.892 4.470 -0.963 0.000 0.327 572 S CA 0.000 58.201 58.200 0.002 0.000 1.107 572 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517