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 3jz4_1_D DATA FIRST_RESID 1 DATA SEQUENCE KLNDSNLFRQ QALINGEWLD ANNGEAIDVT NPANGDKLGS VPKMGADETR DATA SEQUENCE AAIDAANRAL PAWRALTAKE RATILRNWFN LMMEHQDDLA RLMTLEQGKP DATA SEQUENCE LAEAKGEISY AASFIEWFAE EGKRIYGDTI PGHQADKRLI VIKQPIGVTA DATA SEQUENCE AITPWNFPAA MITRKAGPAL AAGCTMVLKP ASQTPFSALA LAELAIRAGV DATA SEQUENCE PAGVFNVVTG SAGAVGNELT SNPLVRKLSF TGSTEIGRQL MEQCAKDIKK DATA SEQUENCE VSLELGGNAP FIVFDDADLD KAVEGALASK FRNAGQTCVC ANRLYVQDGV DATA SEQUENCE YDRFAEKLQQ AMSKLHIGDG LDNGVTIGPL IDEKAVAKVE EHIADALEKG DATA SEQUENCE ARVVCGGKAH ERGGNFFQPT ILVDVPANAK VSKEETFGPL APLFRFKDEA DATA SEQUENCE DVIAQANDTE FGLAAYFYAR DLSRVFRVGE ALEYGIVGIN TGIISNEVAP DATA SEQUENCE FGGIKASGLG REGSKYGIED YLEIKYMCIG L 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.548 176.600 -0.086 0.000 0.988 1 K CA 0.000 56.210 56.287 -0.129 0.000 0.838 1 K CB 0.000 32.414 32.500 -0.143 0.000 1.064 2 L N 0.579 121.759 121.223 -0.071 0.000 2.333 2 L HA 0.421 4.762 4.340 0.001 0.000 0.269 2 L C 1.020 177.888 176.870 -0.003 0.000 1.010 2 L CA -1.065 53.756 54.840 -0.032 0.000 0.818 2 L CB 1.201 43.244 42.059 -0.027 0.000 1.306 2 L HN -0.037 nan 8.230 nan 0.000 0.430 3 N N 0.305 119.017 118.700 0.021 0.000 2.120 3 N HA -0.135 4.606 4.740 0.001 0.000 0.188 3 N C 0.097 175.637 175.510 0.050 0.000 1.024 3 N CA 1.337 54.408 53.050 0.036 0.000 0.852 3 N CB 0.071 38.588 38.487 0.051 0.000 1.003 3 N HN 0.583 nan 8.380 nan 0.000 0.424 4 D N -0.310 120.130 120.400 0.066 0.000 2.461 4 D HA 0.349 4.989 4.640 0.001 0.000 0.240 4 D C 0.631 176.940 176.300 0.015 0.000 1.094 4 D CA -0.162 53.869 54.000 0.052 0.000 0.868 4 D CB 0.947 41.791 40.800 0.074 0.000 1.062 4 D HN 0.145 nan 8.370 nan 0.000 0.530 5 S N 3.646 119.350 115.700 0.007 0.000 2.423 5 S HA -0.156 4.315 4.470 0.001 0.000 0.231 5 S C 1.527 176.127 174.600 -0.000 0.000 1.014 5 S CA 0.750 58.956 58.200 0.009 0.000 0.965 5 S CB -0.144 63.058 63.200 0.005 0.000 0.785 5 S HN 0.405 nan 8.310 nan 0.000 0.495 6 N N 1.038 119.715 118.700 -0.037 0.000 2.573 6 N HA 0.057 4.798 4.740 0.001 0.000 0.187 6 N C 1.249 176.693 175.510 -0.110 0.000 1.107 6 N CA 0.313 53.308 53.050 -0.093 0.000 0.918 6 N CB -0.160 38.274 38.487 -0.088 0.000 0.966 6 N HN 0.529 nan 8.380 nan 0.000 0.448 7 L N -0.713 120.479 121.223 -0.053 0.000 2.240 7 L HA 0.022 4.363 4.340 0.001 0.000 0.211 7 L C 0.531 177.423 176.870 0.037 0.000 1.106 7 L CA 0.208 55.035 54.840 -0.021 0.000 0.793 7 L CB -0.182 41.871 42.059 -0.010 0.000 0.927 7 L HN 0.030 nan 8.230 nan 0.000 0.446 8 F N 2.423 122.281 119.950 -0.153 0.000 2.434 8 F HA 0.291 4.819 4.527 0.001 0.000 0.358 8 F C 0.307 175.963 175.800 -0.240 0.000 1.136 8 F CA -0.677 57.194 58.000 -0.214 0.000 1.157 8 F CB -0.011 38.836 39.000 -0.256 0.000 1.167 8 F HN -0.149 nan 8.300 nan 0.000 0.539 9 R N 5.436 125.607 120.500 -0.550 0.000 2.562 9 R HA 0.260 4.601 4.340 0.001 0.000 0.298 9 R C -0.292 175.737 176.300 -0.450 0.000 0.961 9 R CA -0.537 55.224 56.100 -0.566 0.000 0.881 9 R CB 1.753 31.770 30.300 -0.472 0.000 1.159 9 R HN 0.728 nan 8.270 nan 0.000 0.450 10 Q N 1.447 121.002 119.800 -0.408 0.000 2.165 10 Q HA 0.220 4.560 4.340 0.001 0.000 0.245 10 Q C -0.418 175.565 176.000 -0.030 0.000 0.841 10 Q CA 0.002 55.712 55.803 -0.155 0.000 1.078 10 Q CB 1.270 29.871 28.738 -0.230 0.000 1.169 10 Q HN 0.404 nan 8.270 nan 0.000 0.475 11 Q N -0.165 119.647 119.800 0.019 0.000 2.421 11 Q HA 0.681 5.022 4.340 0.001 0.000 0.280 11 Q C -1.160 175.024 176.000 0.305 0.000 1.085 11 Q CA -0.695 55.194 55.803 0.144 0.000 0.807 11 Q CB 2.267 31.108 28.738 0.172 0.000 1.405 11 Q HN 0.221 nan 8.270 nan 0.000 0.419 12 A N 1.069 124.013 122.820 0.206 0.000 2.287 12 A HA 0.552 4.872 4.320 0.001 0.000 0.273 12 A C -0.976 176.628 177.584 0.034 0.000 1.091 12 A CA -0.298 51.815 52.037 0.127 0.000 0.817 12 A CB 0.378 19.390 19.000 0.020 0.000 1.069 12 A HN 0.517 nan 8.150 nan 0.000 0.492 13 L N 1.718 122.807 121.223 -0.224 0.000 2.295 13 L HA 0.643 4.983 4.340 0.001 0.000 0.281 13 L C -1.092 175.537 176.870 -0.401 0.000 1.018 13 L CA 0.122 54.618 54.840 -0.572 0.000 0.841 13 L CB 0.485 41.983 42.059 -0.934 0.000 1.218 13 L HN 0.521 nan 8.230 nan 0.000 0.424 14 I N 5.087 125.462 120.570 -0.325 0.000 2.439 14 I HA 0.345 4.516 4.170 0.001 0.000 0.285 14 I C 0.109 176.091 176.117 -0.224 0.000 1.021 14 I CA -0.793 60.364 61.300 -0.238 0.000 1.091 14 I CB 1.576 39.483 38.000 -0.155 0.000 1.242 14 I HN 0.681 nan 8.210 nan 0.000 0.439 15 N N 4.969 123.539 118.700 -0.216 0.000 2.740 15 N HA -0.194 4.546 4.740 0.001 0.000 0.248 15 N C 0.832 176.228 175.510 -0.190 0.000 1.062 15 N CA 1.370 54.316 53.050 -0.174 0.000 0.704 15 N CB -0.720 37.694 38.487 -0.121 0.000 0.968 15 N HN 1.145 nan 8.380 nan 0.000 0.547 16 G N -1.727 106.915 108.800 -0.264 0.000 2.184 16 G HA2 -0.309 3.651 3.960 0.001 0.000 0.264 16 G HA3 -0.309 3.651 3.960 0.001 0.000 0.264 16 G C -0.330 174.385 174.900 -0.309 0.000 0.975 16 G CA 0.700 45.635 45.100 -0.275 0.000 0.642 16 G HN 0.536 nan 8.290 nan 0.000 0.536 17 E N -0.594 119.428 120.200 -0.296 0.000 2.179 17 E HA 0.461 4.812 4.350 0.001 0.000 0.275 17 E C -0.573 175.857 176.600 -0.283 0.000 0.945 17 E CA -0.827 55.446 56.400 -0.211 0.000 0.792 17 E CB 0.848 30.490 29.700 -0.096 0.000 1.125 17 E HN 0.350 nan 8.360 nan 0.000 0.397 18 W N 3.320 124.594 121.300 -0.043 0.000 2.335 18 W HA 0.373 5.033 4.660 0.001 0.000 0.306 18 W C -0.012 176.483 176.519 -0.039 0.000 1.216 18 W CA -0.277 57.042 57.345 -0.044 0.000 1.237 18 W CB 0.551 29.986 29.460 -0.042 0.000 1.243 18 W HN 0.181 nan 8.180 nan 0.000 0.493 19 L N 3.544 124.871 121.223 0.173 0.000 2.409 19 L HA 0.423 4.763 4.340 0.001 0.000 0.262 19 L C -0.153 176.761 176.870 0.073 0.000 0.992 19 L CA -1.178 53.712 54.840 0.083 0.000 0.817 19 L CB 1.903 43.973 42.059 0.019 0.000 1.350 19 L HN 0.243 nan 8.230 nan 0.000 0.411 20 D N 0.697 121.125 120.400 0.046 0.000 2.423 20 D HA 0.442 5.082 4.640 0.001 0.000 0.255 20 D C 0.035 176.346 176.300 0.017 0.000 1.174 20 D CA -0.246 53.773 54.000 0.031 0.000 1.008 20 D CB 1.530 42.344 40.800 0.023 0.000 1.101 20 D HN 0.579 nan 8.370 nan 0.000 0.516 21 A N 1.020 123.848 122.820 0.012 0.000 2.425 21 A HA 0.009 4.329 4.320 0.001 0.000 0.242 21 A C 1.335 178.921 177.584 0.003 0.000 1.077 21 A CA -0.301 51.739 52.037 0.004 0.000 0.781 21 A CB 0.029 19.031 19.000 0.003 0.000 1.020 21 A HN 0.660 nan 8.150 nan 0.000 0.494 22 N N 1.810 120.509 118.700 -0.002 0.000 2.137 22 N HA -0.250 4.491 4.740 0.001 0.000 0.190 22 N C 0.626 176.135 175.510 -0.000 0.000 1.017 22 N CA 2.225 55.274 53.050 -0.002 0.000 0.859 22 N CB -0.608 37.876 38.487 -0.005 0.000 1.002 22 N HN 0.746 nan 8.380 nan 0.000 0.428 23 N N -1.302 117.398 118.700 0.000 0.000 2.322 23 N HA 0.147 4.888 4.740 0.001 0.000 0.194 23 N C 1.176 176.688 175.510 0.003 0.000 1.126 23 N CA 0.495 53.545 53.050 0.001 0.000 0.845 23 N CB -0.366 38.121 38.487 0.000 0.000 0.976 23 N HN 0.437 nan 8.380 nan 0.000 0.475 24 G N -0.234 108.569 108.800 0.005 0.000 2.186 24 G HA2 -0.356 3.604 3.960 0.001 0.000 0.266 24 G HA3 -0.356 3.604 3.960 0.001 0.000 0.266 24 G C -0.228 174.677 174.900 0.008 0.000 0.982 24 G CA 0.478 45.582 45.100 0.007 0.000 0.670 24 G HN 0.549 nan 8.290 nan 0.000 0.533 25 E N 0.359 120.563 120.200 0.006 0.000 2.383 25 E HA 0.547 4.897 4.350 0.001 0.000 0.264 25 E C 0.498 177.103 176.600 0.009 0.000 1.050 25 E CA 0.416 56.820 56.400 0.007 0.000 0.896 25 E CB 0.918 30.620 29.700 0.004 0.000 0.982 25 E HN 0.682 nan 8.360 nan 0.000 0.424 26 A N 3.314 126.141 122.820 0.011 0.000 2.469 26 A HA 0.599 4.919 4.320 0.001 0.000 0.299 26 A C -0.872 176.717 177.584 0.010 0.000 1.098 26 A CA -0.705 51.340 52.037 0.013 0.000 0.737 26 A CB 0.964 19.978 19.000 0.023 0.000 1.312 26 A HN 0.556 nan 8.150 nan 0.000 0.414 27 I N 1.833 122.405 120.570 0.003 0.000 2.321 27 I HA 0.221 4.391 4.170 0.001 0.000 0.291 27 I C -0.778 175.340 176.117 0.002 0.000 0.998 27 I CA -0.593 60.704 61.300 -0.006 0.000 1.227 27 I CB 1.402 39.387 38.000 -0.025 0.000 1.368 27 I HN 0.504 nan 8.210 nan 0.000 0.466 28 D N 5.783 126.191 120.400 0.014 0.000 2.382 28 D HA 0.235 4.876 4.640 0.001 0.000 0.245 28 D C -0.385 175.927 176.300 0.020 0.000 1.120 28 D CA 0.152 54.175 54.000 0.038 0.000 0.890 28 D CB 1.651 42.473 40.800 0.038 0.000 1.201 28 D HN 0.039 nan 8.370 nan 0.000 0.433 29 V N 2.135 122.088 119.914 0.065 0.000 2.448 29 V HA 0.462 4.583 4.120 0.001 0.000 0.295 29 V C 0.436 176.599 176.094 0.115 0.000 1.025 29 V CA -0.712 61.615 62.300 0.044 0.000 0.859 29 V CB 1.695 33.486 31.823 -0.052 0.000 0.988 29 V HN 0.714 nan 8.190 nan 0.000 0.431 30 T N 0.512 115.099 114.554 0.056 0.000 2.932 30 T HA 0.453 4.804 4.350 0.001 0.000 0.289 30 T C -0.285 174.437 174.700 0.038 0.000 1.039 30 T CA -0.827 61.303 62.100 0.050 0.000 1.024 30 T CB 1.741 70.618 68.868 0.015 0.000 1.090 30 T HN 0.463 nan 8.240 nan 0.000 0.496 31 N N 2.699 121.419 118.700 0.033 0.000 2.411 31 N HA 0.222 4.962 4.740 0.001 0.000 0.259 31 N C -1.457 174.043 175.510 -0.018 0.000 1.103 31 N CA -2.311 50.749 53.050 0.016 0.000 0.954 31 N CB 1.197 39.696 38.487 0.020 0.000 1.085 31 N HN 0.388 nan 8.380 nan 0.000 0.485 32 P HA -0.050 nan 4.420 nan 0.000 0.230 32 P C 0.555 177.759 177.300 -0.160 0.000 1.158 32 P CA 0.622 63.646 63.100 -0.127 0.000 0.769 32 P CB 0.248 31.841 31.700 -0.178 0.000 0.807 33 A N 0.808 123.586 122.820 -0.070 0.000 2.072 33 A HA -0.072 4.249 4.320 0.001 0.000 0.216 33 A C 1.552 179.261 177.584 0.207 0.000 1.156 33 A CA 1.483 53.558 52.037 0.063 0.000 0.701 33 A CB -0.697 18.392 19.000 0.149 0.000 0.816 33 A HN 0.388 nan 8.150 nan 0.000 0.458 34 N N -4.779 113.978 118.700 0.096 0.000 1.952 34 N HA 0.233 4.973 4.740 0.001 0.000 0.228 34 N C 0.817 176.358 175.510 0.051 0.000 1.398 34 N CA 1.064 54.169 53.050 0.092 0.000 0.817 34 N CB -0.140 38.390 38.487 0.071 0.000 1.101 34 N HN 0.717 nan 8.380 nan 0.000 0.498 35 G N -0.101 108.715 108.800 0.028 0.000 2.176 35 G HA2 -0.258 3.702 3.960 0.001 0.000 0.253 35 G HA3 -0.258 3.702 3.960 0.001 0.000 0.253 35 G C -0.842 174.070 174.900 0.020 0.000 0.979 35 G CA 0.190 45.300 45.100 0.017 0.000 0.641 35 G HN 0.408 nan 8.290 nan 0.000 0.530 36 D N 0.766 121.180 120.400 0.023 0.000 2.455 36 D HA 0.283 4.924 4.640 0.001 0.000 0.241 36 D C 0.764 177.085 176.300 0.035 0.000 1.138 36 D CA 0.306 54.320 54.000 0.024 0.000 0.877 36 D CB 0.805 41.615 40.800 0.017 0.000 1.187 36 D HN 0.406 nan 8.370 nan 0.000 0.451 37 K N 2.575 122.999 120.400 0.041 0.000 2.379 37 K HA 0.091 4.411 4.320 0.001 0.000 0.284 37 K C 0.801 177.449 176.600 0.080 0.000 1.044 37 K CA -0.225 56.102 56.287 0.067 0.000 0.974 37 K CB 0.405 32.943 32.500 0.063 0.000 0.962 37 K HN 0.397 nan 8.250 nan 0.000 0.474 38 L N 2.901 124.206 121.223 0.137 0.000 2.298 38 L HA 0.219 4.559 4.340 0.001 0.000 0.209 38 L C 1.193 178.201 176.870 0.230 0.000 1.084 38 L CA 0.594 55.514 54.840 0.134 0.000 0.816 38 L CB 0.169 42.358 42.059 0.217 0.000 0.967 38 L HN 1.000 nan 8.230 nan 0.000 0.460 39 G N -0.878 108.136 108.800 0.356 0.000 2.368 39 G HA2 0.282 4.242 3.960 0.001 0.000 0.269 39 G HA3 0.282 4.242 3.960 0.001 0.000 0.269 39 G C -1.498 173.644 174.900 0.404 0.000 1.291 39 G CA 0.085 45.430 45.100 0.408 0.000 0.903 39 G HN 0.134 nan 8.290 nan 0.000 0.483 40 S N -1.858 114.063 115.700 0.369 0.000 2.638 40 S HA 0.901 5.372 4.470 0.001 0.000 0.274 40 S C -0.746 173.949 174.600 0.159 0.000 1.157 40 S CA 0.050 58.369 58.200 0.199 0.000 0.826 40 S CB 1.473 64.736 63.200 0.104 0.000 1.139 40 S HN 2.315 nan 8.310 nan 0.000 0.474 41 V N -2.783 117.155 119.914 0.040 0.000 2.962 41 V HA 0.810 4.931 4.120 0.001 0.000 0.313 41 V C -3.292 172.809 176.094 0.012 0.000 1.099 41 V CA -2.893 59.419 62.300 0.020 0.000 0.971 41 V CB 1.079 32.871 31.823 -0.051 0.000 1.028 41 V HN 0.741 nan 8.190 nan 0.000 0.430 42 P HA 0.140 nan 4.420 nan 0.000 0.266 42 P C -0.839 176.464 177.300 0.004 0.000 1.195 42 P CA 0.104 63.213 63.100 0.015 0.000 0.768 42 P CB 0.314 32.027 31.700 0.021 0.000 0.838 43 K N 4.239 124.641 120.400 0.003 0.000 2.265 43 K HA 0.248 4.569 4.320 0.001 0.000 0.242 43 K C -0.122 176.477 176.600 -0.002 0.000 1.137 43 K CA -0.114 56.172 56.287 -0.001 0.000 1.082 43 K CB -0.433 32.067 32.500 -0.000 0.000 1.731 43 K HN 0.457 nan 8.250 nan 0.000 0.392 44 M N 0.678 120.275 119.600 -0.004 0.000 2.283 44 M HA 0.334 4.814 4.480 0.001 0.000 0.314 44 M C 0.817 177.112 176.300 -0.008 0.000 1.153 44 M CA -0.334 54.962 55.300 -0.008 0.000 1.084 44 M CB 1.530 34.122 32.600 -0.013 0.000 1.468 44 M HN 0.579 nan 8.290 nan 0.000 0.474 45 G N -0.579 108.215 108.800 -0.010 0.000 3.247 45 G HA2 0.607 4.568 3.960 0.001 0.000 0.226 45 G HA3 0.607 4.568 3.960 0.001 0.000 0.226 45 G C 0.374 175.266 174.900 -0.013 0.000 1.220 45 G CA 0.033 45.127 45.100 -0.010 0.000 0.875 45 G HN 0.752 nan 8.290 nan 0.000 0.606 46 A N -0.414 122.398 122.820 -0.013 0.000 1.883 46 A HA -0.055 4.266 4.320 0.001 0.000 0.217 46 A C 1.967 179.541 177.584 -0.017 0.000 1.186 46 A CA 2.632 54.661 52.037 -0.014 0.000 0.624 46 A CB -0.720 18.272 19.000 -0.013 0.000 0.822 46 A HN 0.576 nan 8.150 nan 0.000 0.444 47 D N -0.270 120.121 120.400 -0.015 0.000 2.092 47 D HA -0.171 4.469 4.640 0.001 0.000 0.193 47 D C 1.794 178.080 176.300 -0.022 0.000 0.994 47 D CA 1.879 55.869 54.000 -0.017 0.000 0.828 47 D CB -0.267 40.525 40.800 -0.014 0.000 0.963 47 D HN 0.514 nan 8.370 nan 0.000 0.450 48 E N -0.637 119.549 120.200 -0.023 0.000 2.077 48 E HA -0.089 4.262 4.350 0.001 0.000 0.193 48 E C 2.244 178.820 176.600 -0.039 0.000 0.989 48 E CA 1.588 57.970 56.400 -0.031 0.000 0.800 48 E CB -0.406 29.276 29.700 -0.028 0.000 0.746 48 E HN 0.273 nan 8.360 nan 0.000 0.452 49 T N 0.480 115.014 114.554 -0.034 0.000 2.788 49 T HA -0.165 4.186 4.350 0.001 0.000 0.268 49 T C 1.814 176.493 174.700 -0.035 0.000 1.044 49 T CA 1.336 63.415 62.100 -0.036 0.000 1.139 49 T CB -0.134 68.718 68.868 -0.026 0.000 0.867 49 T HN 0.110 nan 8.240 nan 0.000 0.454 50 R N 0.890 121.373 120.500 -0.029 0.000 2.066 50 R HA -0.002 4.339 4.340 0.001 0.000 0.232 50 R C 2.658 178.939 176.300 -0.031 0.000 1.131 50 R CA 1.335 57.419 56.100 -0.026 0.000 0.955 50 R CB -0.452 29.836 30.300 -0.020 0.000 0.851 50 R HN 0.371 nan 8.270 nan 0.000 0.432 51 A N 0.648 123.447 122.820 -0.035 0.000 1.933 51 A HA -0.117 4.203 4.320 0.001 0.000 0.218 51 A C 2.300 179.852 177.584 -0.054 0.000 1.175 51 A CA 1.709 53.721 52.037 -0.041 0.000 0.628 51 A CB -0.657 18.318 19.000 -0.041 0.000 0.814 51 A HN 0.544 nan 8.150 nan 0.000 0.444 52 A N -0.114 122.669 122.820 -0.063 0.000 1.898 52 A HA -0.029 4.292 4.320 0.001 0.000 0.216 52 A C 2.099 179.640 177.584 -0.070 0.000 1.181 52 A CA 1.410 53.397 52.037 -0.083 0.000 0.620 52 A CB -0.552 18.390 19.000 -0.097 0.000 0.819 52 A HN 0.489 nan 8.150 nan 0.000 0.442 53 I N -0.315 120.225 120.570 -0.050 0.000 2.226 53 I HA -0.247 3.924 4.170 0.001 0.000 0.245 53 I C 2.271 178.369 176.117 -0.031 0.000 1.100 53 I CA 1.879 63.158 61.300 -0.035 0.000 1.374 53 I CB -0.384 37.602 38.000 -0.023 0.000 1.057 53 I HN 0.359 nan 8.210 nan 0.000 0.413 54 D N 0.873 121.255 120.400 -0.031 0.000 2.144 54 D HA -0.176 4.465 4.640 0.001 0.000 0.199 54 D C 2.167 178.448 176.300 -0.032 0.000 0.984 54 D CA 1.471 55.455 54.000 -0.026 0.000 0.834 54 D CB 0.082 40.867 40.800 -0.025 0.000 0.955 54 D HN 0.308 nan 8.370 nan 0.000 0.465 55 A N 0.424 123.215 122.820 -0.048 0.000 1.902 55 A HA 0.025 4.346 4.320 0.001 0.000 0.217 55 A C 2.371 179.919 177.584 -0.059 0.000 1.181 55 A CA 2.142 54.143 52.037 -0.060 0.000 0.623 55 A CB -1.080 17.870 19.000 -0.084 0.000 0.818 55 A HN 0.315 nan 8.150 nan 0.000 0.443 56 A N 0.234 123.018 122.820 -0.060 0.000 1.902 56 A HA -0.232 4.089 4.320 0.001 0.000 0.217 56 A C 1.990 179.563 177.584 -0.018 0.000 1.181 56 A CA 2.185 54.192 52.037 -0.051 0.000 0.623 56 A CB -0.757 18.216 19.000 -0.045 0.000 0.818 56 A HN 0.604 nan 8.150 nan 0.000 0.443 57 N N -0.610 118.084 118.700 -0.010 0.000 2.120 57 N HA -0.177 4.563 4.740 0.001 0.000 0.188 57 N C 1.836 177.351 175.510 0.010 0.000 1.024 57 N CA 1.720 54.773 53.050 0.006 0.000 0.852 57 N CB -0.265 38.223 38.487 0.002 0.000 1.003 57 N HN 0.383 nan 8.380 nan 0.000 0.424 58 R N -0.098 120.401 120.500 -0.002 0.000 2.092 58 R HA 0.140 4.480 4.340 0.001 0.000 0.231 58 R C 1.811 178.118 176.300 0.011 0.000 1.119 58 R CA 1.408 57.508 56.100 0.001 0.000 0.970 58 R CB -0.555 29.738 30.300 -0.011 0.000 0.864 58 R HN 0.293 nan 8.270 nan 0.000 0.440 59 A N -0.045 122.778 122.820 0.005 0.000 2.167 59 A HA -0.004 4.317 4.320 0.001 0.000 0.214 59 A C 1.820 179.452 177.584 0.080 0.000 1.151 59 A CA 0.562 52.612 52.037 0.022 0.000 0.735 59 A CB -0.403 18.579 19.000 -0.030 0.000 0.802 59 A HN 0.337 nan 8.150 nan 0.000 0.467 60 L N 0.750 122.019 121.223 0.077 0.000 1.994 60 L HA -0.022 4.318 4.340 0.001 0.000 0.208 60 L C -0.818 176.137 176.870 0.142 0.000 1.071 60 L CA 2.397 57.315 54.840 0.129 0.000 0.745 60 L CB -1.258 40.857 42.059 0.093 0.000 0.892 60 L HN 0.133 nan 8.230 nan 0.000 0.431 61 P HA -0.159 nan 4.420 nan 0.000 0.216 61 P C 1.449 178.794 177.300 0.075 0.000 1.153 61 P CA 2.155 65.296 63.100 0.068 0.000 0.858 61 P CB -0.222 31.505 31.700 0.044 0.000 0.789 62 A N -1.628 121.250 122.820 0.096 0.000 2.016 62 A HA -0.134 4.186 4.320 0.001 0.000 0.217 62 A C 2.156 179.828 177.584 0.146 0.000 1.162 62 A CA 0.691 52.785 52.037 0.095 0.000 0.662 62 A CB -1.699 17.355 19.000 0.089 0.000 0.812 62 A HN 0.300 nan 8.150 nan 0.000 0.450 63 W N 0.788 122.085 121.300 -0.004 0.000 2.407 63 W HA -0.123 4.538 4.660 0.001 0.000 0.305 63 W C 2.258 178.776 176.519 -0.001 0.000 1.196 63 W CA 1.382 58.725 57.345 -0.004 0.000 1.311 63 W CB -0.270 29.189 29.460 -0.002 0.000 1.135 63 W HN 0.369 nan 8.180 nan 0.000 0.514 64 R N 0.931 121.461 120.500 0.049 0.000 2.117 64 R HA -0.197 4.144 4.340 0.001 0.000 0.243 64 R C 2.206 178.440 176.300 -0.110 0.000 1.143 64 R CA 2.212 58.281 56.100 -0.052 0.000 0.968 64 R CB -0.624 29.702 30.300 0.044 0.000 0.863 64 R HN 0.126 nan 8.270 nan 0.000 0.444 65 A N 0.596 123.375 122.820 -0.068 0.000 2.169 65 A HA 0.145 4.466 4.320 0.001 0.000 0.212 65 A C 0.895 178.416 177.584 -0.105 0.000 1.153 65 A CA 0.042 52.039 52.037 -0.065 0.000 0.756 65 A CB -0.132 18.854 19.000 -0.024 0.000 0.813 65 A HN 0.215 nan 8.150 nan 0.000 0.471 66 L N 0.968 122.088 121.223 -0.173 0.000 2.482 66 L HA 0.133 4.473 4.340 0.001 0.000 0.273 66 L C 1.306 178.056 176.870 -0.200 0.000 1.228 66 L CA -0.060 54.660 54.840 -0.200 0.000 0.827 66 L CB 0.222 42.091 42.059 -0.317 0.000 1.099 66 L HN 0.410 nan 8.230 nan 0.000 0.494 67 T N -1.354 113.106 114.554 -0.157 0.000 2.860 67 T HA 0.284 4.634 4.350 0.001 0.000 0.299 67 T C 1.117 175.711 174.700 -0.177 0.000 1.045 67 T CA -0.259 61.759 62.100 -0.137 0.000 1.071 67 T CB 1.375 70.186 68.868 -0.094 0.000 0.985 67 T HN 0.658 nan 8.240 nan 0.000 0.537 68 A N 1.258 123.986 122.820 -0.153 0.000 1.940 68 A HA -0.107 4.213 4.320 0.001 0.000 0.219 68 A C 2.345 179.849 177.584 -0.132 0.000 1.176 68 A CA 1.993 53.935 52.037 -0.157 0.000 0.631 68 A CB -0.894 18.025 19.000 -0.134 0.000 0.814 68 A HN 0.986 nan 8.150 nan 0.000 0.446 69 K N 0.253 120.591 120.400 -0.103 0.000 2.097 69 K HA -0.187 4.133 4.320 0.001 0.000 0.205 69 K C 1.988 178.546 176.600 -0.070 0.000 1.050 69 K CA 1.540 57.782 56.287 -0.076 0.000 0.938 69 K CB -0.185 32.281 32.500 -0.056 0.000 0.718 69 K HN 0.767 nan 8.250 nan 0.000 0.442 70 E N 0.160 120.306 120.200 -0.091 0.000 2.150 70 E HA -0.198 4.153 4.350 0.001 0.000 0.193 70 E C 2.010 178.551 176.600 -0.099 0.000 0.985 70 E CA 0.623 56.976 56.400 -0.079 0.000 0.814 70 E CB -0.171 29.485 29.700 -0.075 0.000 0.752 70 E HN 0.251 nan 8.360 nan 0.000 0.466 71 R N 0.798 121.174 120.500 -0.207 0.000 2.075 71 R HA -0.033 4.308 4.340 0.001 0.000 0.232 71 R C 2.539 178.831 176.300 -0.012 0.000 1.126 71 R CA 1.269 57.224 56.100 -0.242 0.000 0.963 71 R CB -0.384 29.636 30.300 -0.467 0.000 0.858 71 R HN 0.253 nan 8.270 nan 0.000 0.435 72 A N 0.354 123.154 122.820 -0.034 0.000 1.940 72 A HA -0.168 4.152 4.320 0.001 0.000 0.219 72 A C 2.147 179.762 177.584 0.050 0.000 1.176 72 A CA 1.990 54.031 52.037 0.006 0.000 0.631 72 A CB -0.770 18.206 19.000 -0.039 0.000 0.814 72 A HN 0.279 nan 8.150 nan 0.000 0.446 73 T N 0.238 114.816 114.554 0.040 0.000 2.708 73 T HA -0.093 4.257 4.350 0.001 0.000 0.266 73 T C 1.799 176.567 174.700 0.115 0.000 1.037 73 T CA 1.555 63.694 62.100 0.065 0.000 1.146 73 T CB -0.394 68.499 68.868 0.042 0.000 0.865 73 T HN 0.436 nan 8.240 nan 0.000 0.435 74 I N 0.662 121.314 120.570 0.138 0.000 2.179 74 I HA -0.131 4.039 4.170 0.001 0.000 0.242 74 I C 2.235 178.502 176.117 0.251 0.000 1.088 74 I CA 1.220 62.635 61.300 0.191 0.000 1.357 74 I CB -0.369 37.788 38.000 0.261 0.000 1.051 74 I HN 0.185 nan 8.210 nan 0.000 0.409 75 L N 0.078 121.470 121.223 0.283 0.000 2.093 75 L HA -0.192 4.149 4.340 0.001 0.000 0.208 75 L C 2.735 179.804 176.870 0.331 0.000 1.085 75 L CA 1.228 56.282 54.840 0.358 0.000 0.755 75 L CB -0.558 41.683 42.059 0.302 0.000 0.904 75 L HN 0.200 nan 8.230 nan 0.000 0.435 76 R N 0.294 120.933 120.500 0.233 0.000 2.092 76 R HA -0.145 4.195 4.340 0.001 0.000 0.231 76 R C 2.143 178.630 176.300 0.311 0.000 1.119 76 R CA 1.378 57.626 56.100 0.246 0.000 0.970 76 R CB -0.054 30.335 30.300 0.147 0.000 0.864 76 R HN 0.348 nan 8.270 nan 0.000 0.440 77 N N 0.076 118.929 118.700 0.254 0.000 2.104 77 N HA -0.229 4.511 4.740 0.001 0.000 0.190 77 N C 1.164 176.864 175.510 0.317 0.000 1.024 77 N CA 1.265 54.456 53.050 0.235 0.000 0.853 77 N CB -0.545 38.050 38.487 0.179 0.000 1.008 77 N HN 0.353 nan 8.380 nan 0.000 0.424 78 W N 1.440 122.823 121.300 0.138 0.000 2.355 78 W HA -0.098 4.563 4.660 0.001 0.000 0.309 78 W C 2.164 178.775 176.519 0.153 0.000 1.206 78 W CA 0.482 57.900 57.345 0.122 0.000 1.284 78 W CB -1.212 28.302 29.460 0.090 0.000 1.145 78 W HN 0.049 nan 8.180 nan 0.000 0.502 79 F N 2.281 122.329 119.950 0.164 0.000 2.069 79 F HA -0.305 4.223 4.527 0.001 0.000 0.298 79 F C 2.084 177.923 175.800 0.065 0.000 1.113 79 F CA 2.562 60.578 58.000 0.026 0.000 1.214 79 F CB -1.034 37.982 39.000 0.027 0.000 0.978 79 F HN -0.220 nan 8.300 nan 0.000 0.474 80 N N 0.970 119.661 118.700 -0.016 0.000 2.104 80 N HA -0.187 4.553 4.740 0.001 0.000 0.190 80 N C 2.072 177.527 175.510 -0.091 0.000 1.024 80 N CA 1.780 54.745 53.050 -0.141 0.000 0.853 80 N CB -0.734 37.790 38.487 0.062 0.000 1.008 80 N HN 0.383 nan 8.380 nan 0.000 0.424 81 L N 0.462 121.732 121.223 0.078 0.000 2.046 81 L HA -0.095 4.246 4.340 0.001 0.000 0.208 81 L C 2.383 179.369 176.870 0.192 0.000 1.077 81 L CA 0.934 55.891 54.840 0.195 0.000 0.747 81 L CB -0.289 41.955 42.059 0.308 0.000 0.896 81 L HN 0.163 nan 8.230 nan 0.000 0.432 82 M N -1.474 118.174 119.600 0.080 0.000 2.108 82 M HA -0.262 4.219 4.480 0.001 0.000 0.261 82 M C 2.313 178.581 176.300 -0.054 0.000 1.066 82 M CA 1.665 56.977 55.300 0.019 0.000 1.107 82 M CB -0.275 32.275 32.600 -0.084 0.000 1.356 82 M HN 0.245 nan 8.290 nan 0.000 0.406 83 M N -0.489 118.981 119.600 -0.216 0.000 2.200 83 M HA -0.138 4.343 4.480 0.001 0.000 0.265 83 M C 1.952 178.166 176.300 -0.143 0.000 1.066 83 M CA 1.498 56.664 55.300 -0.222 0.000 1.127 83 M CB -1.330 31.033 32.600 -0.396 0.000 1.379 83 M HN 0.346 nan 8.290 nan 0.000 0.420 84 E N -0.121 119.986 120.200 -0.156 0.000 2.077 84 E HA -0.204 4.147 4.350 0.001 0.000 0.193 84 E C 0.951 177.366 176.600 -0.308 0.000 0.989 84 E CA 1.017 57.274 56.400 -0.238 0.000 0.800 84 E CB 0.101 29.619 29.700 -0.304 0.000 0.746 84 E HN 0.559 nan 8.360 nan 0.000 0.452 85 H N 0.004 119.072 119.070 -0.004 0.000 2.507 85 H HA 0.068 4.625 4.556 0.001 0.000 0.294 85 H C 1.438 176.776 175.328 0.016 0.000 1.064 85 H CA 0.034 56.092 56.048 0.017 0.000 1.138 85 H CB 0.467 30.255 29.762 0.044 0.000 1.515 85 H HN 0.369 nan 8.280 nan 0.000 0.547 86 Q N 1.064 120.898 119.800 0.057 0.000 2.077 86 Q HA -0.174 4.166 4.340 0.001 0.000 0.206 86 Q C 0.901 176.934 176.000 0.055 0.000 0.989 86 Q CA 1.830 57.661 55.803 0.045 0.000 0.853 86 Q CB 0.324 29.066 28.738 0.007 0.000 0.907 86 Q HN 0.332 nan 8.270 nan 0.000 0.418 87 D N 0.444 120.870 120.400 0.042 0.000 2.097 87 D HA -0.145 4.495 4.640 0.001 0.000 0.195 87 D C 1.538 177.866 176.300 0.048 0.000 0.989 87 D CA 1.278 55.300 54.000 0.037 0.000 0.827 87 D CB -0.359 40.455 40.800 0.023 0.000 0.966 87 D HN 0.313 nan 8.370 nan 0.000 0.456 88 D N 0.172 120.614 120.400 0.070 0.000 2.117 88 D HA -0.079 4.562 4.640 0.001 0.000 0.197 88 D C 2.365 178.707 176.300 0.070 0.000 0.987 88 D CA 0.409 54.450 54.000 0.067 0.000 0.829 88 D CB -0.297 40.561 40.800 0.096 0.000 0.961 88 D HN 0.212 nan 8.370 nan 0.000 0.460 89 L N 0.515 121.795 121.223 0.095 0.000 2.046 89 L HA -0.134 4.207 4.340 0.001 0.000 0.208 89 L C 2.529 179.452 176.870 0.090 0.000 1.077 89 L CA 1.082 55.983 54.840 0.103 0.000 0.747 89 L CB -0.433 41.695 42.059 0.115 0.000 0.896 89 L HN -0.024 nan 8.230 nan 0.000 0.432 90 A N 0.219 123.083 122.820 0.074 0.000 1.877 90 A HA -0.261 4.060 4.320 0.001 0.000 0.216 90 A C 2.434 180.048 177.584 0.049 0.000 1.186 90 A CA 1.921 53.996 52.037 0.063 0.000 0.620 90 A CB -0.595 18.437 19.000 0.052 0.000 0.822 90 A HN 0.356 nan 8.150 nan 0.000 0.443 91 R N -0.979 119.543 120.500 0.036 0.000 2.073 91 R HA -0.128 4.212 4.340 0.001 0.000 0.234 91 R C 2.030 178.338 176.300 0.013 0.000 1.134 91 R CA 1.650 57.759 56.100 0.015 0.000 0.952 91 R CB -0.451 29.847 30.300 -0.003 0.000 0.850 91 R HN 0.389 nan 8.270 nan 0.000 0.433 92 L N 1.021 122.260 121.223 0.027 0.000 2.042 92 L HA -0.193 4.148 4.340 0.001 0.000 0.210 92 L C 2.434 179.365 176.870 0.102 0.000 1.076 92 L CA 2.010 56.879 54.840 0.048 0.000 0.749 92 L CB -0.433 41.681 42.059 0.093 0.000 0.893 92 L HN 0.359 nan 8.230 nan 0.000 0.432 93 M N -2.012 117.649 119.600 0.101 0.000 2.099 93 M HA -0.197 4.284 4.480 0.001 0.000 0.262 93 M C 2.063 178.406 176.300 0.072 0.000 1.067 93 M CA 2.148 57.511 55.300 0.105 0.000 1.124 93 M CB -0.258 32.402 32.600 0.099 0.000 1.353 93 M HN 0.214 nan 8.290 nan 0.000 0.410 94 T N 1.758 116.340 114.554 0.048 0.000 2.720 94 T HA -0.169 4.181 4.350 0.001 0.000 0.268 94 T C 1.728 176.443 174.700 0.025 0.000 1.037 94 T CA 1.740 63.856 62.100 0.027 0.000 1.144 94 T CB -0.451 68.427 68.868 0.018 0.000 0.864 94 T HN 0.387 nan 8.240 nan 0.000 0.444 95 L N 0.791 122.031 121.223 0.028 0.000 2.012 95 L HA -0.165 4.176 4.340 0.001 0.000 0.210 95 L C 2.833 179.737 176.870 0.057 0.000 1.073 95 L CA 1.857 56.712 54.840 0.024 0.000 0.748 95 L CB -0.520 41.535 42.059 -0.008 0.000 0.891 95 L HN 0.527 nan 8.230 nan 0.000 0.431 96 E N -0.238 120.026 120.200 0.106 0.000 2.190 96 E HA -0.225 4.125 4.350 0.001 0.000 0.191 96 E C 1.971 178.609 176.600 0.064 0.000 0.978 96 E CA 0.854 57.332 56.400 0.131 0.000 0.839 96 E CB -0.035 29.809 29.700 0.241 0.000 0.787 96 E HN 0.539 nan 8.360 nan 0.000 0.473 97 Q N 0.126 119.960 119.800 0.057 0.000 2.402 97 Q HA 0.262 4.602 4.340 0.001 0.000 0.231 97 Q C 1.490 177.483 176.000 -0.011 0.000 0.888 97 Q CA 1.233 57.060 55.803 0.041 0.000 0.938 97 Q CB 0.965 29.762 28.738 0.098 0.000 1.086 97 Q HN 0.288 nan 8.270 nan 0.000 0.543 98 G N 0.917 109.706 108.800 -0.018 0.000 2.278 98 G HA2 -0.305 3.656 3.960 0.001 0.000 0.210 98 G HA3 -0.305 3.656 3.960 0.001 0.000 0.210 98 G C -0.130 174.746 174.900 -0.041 0.000 1.000 98 G CA -0.076 44.993 45.100 -0.052 0.000 0.635 98 G HN 0.616 nan 8.290 nan 0.000 0.495 99 K N 1.377 121.756 120.400 -0.034 0.000 2.380 99 K HA 0.439 4.760 4.320 0.001 0.000 0.267 99 K C -2.561 174.032 176.600 -0.012 0.000 0.990 99 K CA -0.964 55.302 56.287 -0.034 0.000 0.946 99 K CB 0.332 32.794 32.500 -0.062 0.000 0.937 99 K HN 0.114 nan 8.250 nan 0.000 0.491 100 P HA -0.102 nan 4.420 nan 0.000 0.267 100 P C 0.550 177.857 177.300 0.012 0.000 1.200 100 P CA -0.290 62.813 63.100 0.004 0.000 0.772 100 P CB 0.390 32.095 31.700 0.008 0.000 0.855 101 L N 4.079 125.311 121.223 0.014 0.000 2.043 101 L HA -0.261 4.080 4.340 0.001 0.000 0.212 101 L C 2.156 179.042 176.870 0.027 0.000 1.075 101 L CA 2.497 57.349 54.840 0.020 0.000 0.752 101 L CB -1.403 40.665 42.059 0.016 0.000 0.891 101 L HN 0.449 nan 8.230 nan 0.000 0.432 102 A N -1.352 121.483 122.820 0.025 0.000 1.933 102 A HA -0.215 4.105 4.320 0.001 0.000 0.218 102 A C 2.217 179.823 177.584 0.037 0.000 1.175 102 A CA 1.707 53.762 52.037 0.030 0.000 0.628 102 A CB -0.551 18.465 19.000 0.027 0.000 0.814 102 A HN 0.584 nan 8.150 nan 0.000 0.444 103 E N -0.410 119.810 120.200 0.034 0.000 2.072 103 E HA -0.115 4.236 4.350 0.001 0.000 0.191 103 E C 2.339 178.974 176.600 0.058 0.000 0.985 103 E CA 0.882 57.306 56.400 0.041 0.000 0.801 103 E CB -0.226 29.487 29.700 0.021 0.000 0.750 103 E HN 0.622 nan 8.360 nan 0.000 0.452 104 A N 1.590 124.438 122.820 0.048 0.000 1.898 104 A HA -0.204 4.117 4.320 0.001 0.000 0.216 104 A C 1.955 179.587 177.584 0.080 0.000 1.181 104 A CA 1.386 53.461 52.037 0.063 0.000 0.620 104 A CB -0.261 18.769 19.000 0.049 0.000 0.819 104 A HN 0.044 nan 8.150 nan 0.000 0.442 105 K N -0.712 119.726 120.400 0.064 0.000 2.063 105 K HA -0.123 4.198 4.320 0.001 0.000 0.208 105 K C 2.119 178.767 176.600 0.080 0.000 1.048 105 K CA 1.188 57.513 56.287 0.063 0.000 0.928 105 K CB -0.500 32.028 32.500 0.045 0.000 0.713 105 K HN 0.475 nan 8.250 nan 0.000 0.442 106 G N 1.251 110.100 108.800 0.082 0.000 2.440 106 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 106 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 106 G C 1.356 176.351 174.900 0.158 0.000 1.154 106 G CA 0.889 46.047 45.100 0.096 0.000 0.767 106 G HN 0.410 nan 8.290 nan 0.000 0.552 107 E N -0.087 120.226 120.200 0.187 0.000 2.106 107 E HA -0.106 4.244 4.350 0.001 0.000 0.192 107 E C 2.447 179.202 176.600 0.259 0.000 0.984 107 E CA 0.497 57.076 56.400 0.298 0.000 0.806 107 E CB -0.059 29.834 29.700 0.320 0.000 0.750 107 E HN 0.311 nan 8.360 nan 0.000 0.458 108 I N 0.889 121.560 120.570 0.168 0.000 2.179 108 I HA -0.228 3.943 4.170 0.001 0.000 0.242 108 I C 2.584 178.768 176.117 0.112 0.000 1.088 108 I CA 1.080 62.452 61.300 0.121 0.000 1.357 108 I CB -1.483 36.568 38.000 0.085 0.000 1.051 108 I HN 0.143 nan 8.210 nan 0.000 0.409 109 S N -0.110 115.663 115.700 0.123 0.000 2.368 109 S HA -0.247 4.224 4.470 0.001 0.000 0.225 109 S C 2.207 176.913 174.600 0.176 0.000 1.030 109 S CA 1.292 59.564 58.200 0.121 0.000 0.999 109 S CB -0.456 62.807 63.200 0.105 0.000 0.844 109 S HN 0.468 nan 8.310 nan 0.000 0.459 110 Y N 2.061 122.403 120.300 0.070 0.000 2.163 110 Y HA 0.055 4.605 4.550 0.001 0.000 0.288 110 Y C 2.345 178.352 175.900 0.178 0.000 1.136 110 Y CA 1.175 59.313 58.100 0.064 0.000 1.147 110 Y CB -1.082 37.418 38.460 0.066 0.000 0.987 110 Y HN 0.269 nan 8.280 nan 0.000 0.509 111 A N 0.916 123.791 122.820 0.092 0.000 1.883 111 A HA -0.150 4.170 4.320 0.001 0.000 0.217 111 A C 2.471 180.097 177.584 0.069 0.000 1.186 111 A CA 2.270 54.333 52.037 0.043 0.000 0.624 111 A CB -1.629 17.401 19.000 0.049 0.000 0.822 111 A HN 0.645 nan 8.150 nan 0.000 0.444 112 A N 0.313 123.177 122.820 0.074 0.000 1.940 112 A HA -0.125 4.195 4.320 0.001 0.000 0.219 112 A C 2.489 180.243 177.584 0.284 0.000 1.176 112 A CA 2.447 54.575 52.037 0.152 0.000 0.631 112 A CB -1.045 18.017 19.000 0.103 0.000 0.814 112 A HN 1.123 nan 8.150 nan 0.000 0.446 113 S N -0.901 114.872 115.700 0.122 0.000 2.419 113 S HA -0.158 4.313 4.470 0.001 0.000 0.233 113 S C 1.673 176.119 174.600 -0.256 0.000 1.016 113 S CA 1.430 59.571 58.200 -0.099 0.000 0.974 113 S CB -0.834 62.236 63.200 -0.218 0.000 0.786 113 S HN 0.404 nan 8.310 nan 0.000 0.492 114 F N 1.829 121.703 119.950 -0.126 0.000 2.186 114 F HA 0.065 4.592 4.527 0.001 0.000 0.299 114 F C 2.343 178.201 175.800 0.097 0.000 1.090 114 F CA 0.658 58.642 58.000 -0.027 0.000 1.307 114 F CB -0.403 38.568 39.000 -0.049 0.000 1.019 114 F HN 0.190 nan 8.300 nan 0.000 0.489 115 I N 0.209 120.866 120.570 0.145 0.000 2.202 115 I HA -0.257 3.914 4.170 0.001 0.000 0.242 115 I C 2.407 178.537 176.117 0.021 0.000 1.091 115 I CA 1.473 62.814 61.300 0.069 0.000 1.368 115 I CB -1.401 36.537 38.000 -0.104 0.000 1.058 115 I HN 0.269 nan 8.210 nan 0.000 0.410 116 E N 0.700 120.779 120.200 -0.203 0.000 2.038 116 E HA -0.286 4.064 4.350 0.001 0.000 0.195 116 E C 2.346 178.799 176.600 -0.246 0.000 1.000 116 E CA 1.741 57.852 56.400 -0.481 0.000 0.803 116 E CB -0.393 28.586 29.700 -1.201 0.000 0.750 116 E HN 0.571 nan 8.360 nan 0.000 0.448 117 W N 0.465 121.528 121.300 -0.395 0.000 2.335 117 W HA -0.247 4.413 4.660 0.001 0.000 0.311 117 W C 1.580 177.858 176.519 -0.403 0.000 1.213 117 W CA 1.348 58.421 57.345 -0.454 0.000 1.274 117 W CB -0.519 28.549 29.460 -0.653 0.000 1.148 117 W HN 0.147 nan 8.180 nan 0.000 0.498 118 F N 0.910 120.854 119.950 -0.009 0.000 2.293 118 F HA -0.035 4.493 4.527 0.001 0.000 0.297 118 F C 2.786 178.503 175.800 -0.138 0.000 1.089 118 F CA 1.393 59.339 58.000 -0.090 0.000 1.377 118 F CB -1.056 37.981 39.000 0.063 0.000 1.051 118 F HN -0.121 nan 8.300 nan 0.000 0.511 119 A N 0.577 123.425 122.820 0.046 0.000 1.892 119 A HA -0.272 4.049 4.320 0.001 0.000 0.218 119 A C 2.042 179.554 177.584 -0.120 0.000 1.188 119 A CA 2.229 54.261 52.037 -0.009 0.000 0.631 119 A CB -0.798 18.200 19.000 -0.004 0.000 0.822 119 A HN 0.459 nan 8.150 nan 0.000 0.447 120 E N -1.116 118.941 120.200 -0.239 0.000 2.072 120 E HA -0.184 4.167 4.350 0.001 0.000 0.191 120 E C 2.062 178.430 176.600 -0.388 0.000 0.985 120 E CA 1.138 57.345 56.400 -0.323 0.000 0.801 120 E CB -0.120 29.328 29.700 -0.420 0.000 0.750 120 E HN 0.643 nan 8.360 nan 0.000 0.452 121 E N 0.596 120.500 120.200 -0.492 0.000 2.150 121 E HA -0.100 4.250 4.350 0.001 0.000 0.193 121 E C 2.034 178.496 176.600 -0.229 0.000 0.985 121 E CA 1.208 57.350 56.400 -0.429 0.000 0.814 121 E CB -0.516 28.944 29.700 -0.400 0.000 0.752 121 E HN 0.279 nan 8.360 nan 0.000 0.466 122 G N 0.330 109.048 108.800 -0.137 0.000 2.462 122 G HA2 -0.302 3.659 3.960 0.001 0.000 0.220 122 G HA3 -0.302 3.659 3.960 0.001 0.000 0.220 122 G C 1.349 176.148 174.900 -0.170 0.000 1.121 122 G CA 0.929 45.962 45.100 -0.112 0.000 0.758 122 G HN 0.252 nan 8.290 nan 0.000 0.559 123 K N -0.406 119.876 120.400 -0.197 0.000 2.487 123 K HA 0.163 4.483 4.320 0.001 0.000 0.192 123 K C 1.361 177.785 176.600 -0.293 0.000 1.027 123 K CA 0.190 56.360 56.287 -0.196 0.000 1.054 123 K CB 0.274 32.681 32.500 -0.155 0.000 0.824 123 K HN 0.159 nan 8.250 nan 0.000 0.510 124 R N 0.378 120.621 120.500 -0.430 0.000 2.642 124 R HA 0.269 4.609 4.340 0.001 0.000 0.435 124 R C -0.619 175.083 176.300 -0.998 0.000 1.046 124 R CA -0.181 55.406 56.100 -0.856 0.000 1.103 124 R CB 0.545 30.516 30.300 -0.548 0.000 1.425 124 R HN 0.019 nan 8.270 nan 0.000 0.586 125 I N 2.442 122.671 120.570 -0.568 0.000 2.311 125 I HA 0.064 4.235 4.170 0.001 0.000 0.297 125 I C -0.497 175.441 176.117 -0.299 0.000 1.131 125 I CA -0.136 60.966 61.300 -0.330 0.000 1.289 125 I CB -0.076 37.833 38.000 -0.152 0.000 1.446 125 I HN 0.020 nan 8.210 nan 0.000 0.524 126 Y N 4.679 124.973 120.300 -0.010 0.000 2.327 126 Y HA 0.486 5.037 4.550 0.001 0.000 0.336 126 Y C 1.047 176.952 175.900 0.008 0.000 1.035 126 Y CA -0.664 57.432 58.100 -0.006 0.000 1.165 126 Y CB 0.919 39.371 38.460 -0.013 0.000 1.181 126 Y HN 0.525 nan 8.280 nan 0.000 0.494 127 G N 1.914 110.814 108.800 0.167 0.000 2.535 127 G HA2 0.388 4.349 3.960 0.001 0.000 0.282 127 G HA3 0.388 4.349 3.960 0.001 0.000 0.282 127 G C -0.762 174.201 174.900 0.104 0.000 1.350 127 G CA -0.655 44.512 45.100 0.113 0.000 1.039 127 G HN 0.560 nan 8.290 nan 0.000 0.509 128 D N -1.197 119.250 120.400 0.079 0.000 2.547 128 D HA 0.485 5.125 4.640 0.001 0.000 0.231 128 D C -0.411 175.924 176.300 0.058 0.000 1.099 128 D CA -0.213 53.822 54.000 0.058 0.000 0.901 128 D CB 1.998 42.828 40.800 0.049 0.000 1.478 128 D HN 0.532 nan 8.370 nan 0.000 0.471 129 T N -1.820 112.760 114.554 0.043 0.000 2.855 129 T HA 0.758 5.109 4.350 0.001 0.000 0.281 129 T C -0.174 174.550 174.700 0.040 0.000 1.007 129 T CA -0.691 61.438 62.100 0.048 0.000 1.009 129 T CB 0.876 69.766 68.868 0.037 0.000 0.983 129 T HN 0.286 nan 8.240 nan 0.000 0.455 130 I N 2.929 123.530 120.570 0.052 0.000 2.498 130 I HA 0.390 4.560 4.170 0.001 0.000 0.290 130 I C -2.464 173.683 176.117 0.050 0.000 1.032 130 I CA -2.863 58.460 61.300 0.038 0.000 1.073 130 I CB 2.342 40.355 38.000 0.021 0.000 1.251 130 I HN 0.435 nan 8.210 nan 0.000 0.426 131 P HA 0.036 nan 4.420 nan 0.000 0.262 131 P C 0.227 177.568 177.300 0.067 0.000 1.182 131 P CA 0.011 63.135 63.100 0.040 0.000 0.761 131 P CB 0.391 32.107 31.700 0.026 0.000 0.795 132 G N 2.004 110.846 108.800 0.070 0.000 2.569 132 G HA2 0.051 4.011 3.960 0.001 0.000 0.249 132 G HA3 0.051 4.011 3.960 0.001 0.000 0.249 132 G C 0.986 175.953 174.900 0.111 0.000 1.216 132 G CA -0.328 44.837 45.100 0.110 0.000 0.845 132 G HN 0.698 nan 8.290 nan 0.000 0.568 133 H N -0.486 118.602 119.070 0.030 0.000 2.502 133 H HA 0.073 4.630 4.556 0.001 0.000 0.283 133 H C 0.510 175.851 175.328 0.020 0.000 1.015 133 H CA 0.715 56.776 56.048 0.022 0.000 1.298 133 H CB 0.332 30.109 29.762 0.026 0.000 1.411 133 H HN 0.510 nan 8.280 nan 0.000 0.556 134 Q N -1.134 118.441 119.800 -0.376 0.000 2.456 134 Q HA 0.629 4.969 4.340 0.001 0.000 0.283 134 Q C 0.428 176.334 176.000 -0.158 0.000 1.084 134 Q CA -0.270 55.386 55.803 -0.244 0.000 0.801 134 Q CB 2.396 30.948 28.738 -0.309 0.000 1.434 134 Q HN 0.132 nan 8.270 nan 0.000 0.419 135 A N 1.080 123.847 122.820 -0.090 0.000 2.019 135 A HA -0.169 4.152 4.320 0.001 0.000 0.219 135 A C 0.930 178.480 177.584 -0.056 0.000 1.164 135 A CA 2.024 54.028 52.037 -0.056 0.000 0.644 135 A CB -0.276 18.702 19.000 -0.036 0.000 0.805 135 A HN 0.790 nan 8.150 nan 0.000 0.449 136 D N -1.119 119.237 120.400 -0.073 0.000 2.395 136 D HA 0.123 4.764 4.640 0.001 0.000 0.226 136 D C -0.084 176.177 176.300 -0.066 0.000 1.146 136 D CA 0.033 53.999 54.000 -0.056 0.000 0.830 136 D CB 0.121 40.894 40.800 -0.045 0.000 0.958 136 D HN 0.055 nan 8.370 nan 0.000 0.501 137 K N 0.697 121.040 120.400 -0.095 0.000 2.316 137 K HA 0.500 4.820 4.320 0.001 0.000 0.251 137 K C -0.163 176.436 176.600 -0.003 0.000 0.934 137 K CA -0.687 55.558 56.287 -0.070 0.000 0.802 137 K CB 2.568 34.941 32.500 -0.212 0.000 1.171 137 K HN -0.069 nan 8.250 nan 0.000 0.426 138 R N 2.091 122.619 120.500 0.046 0.000 2.621 138 R HA 0.537 4.878 4.340 0.001 0.000 0.292 138 R C -0.562 175.810 176.300 0.120 0.000 0.969 138 R CA -0.782 55.358 56.100 0.067 0.000 0.887 138 R CB 1.213 31.536 30.300 0.039 0.000 1.180 138 R HN 0.522 nan 8.270 nan 0.000 0.450 139 L N 4.460 125.772 121.223 0.149 0.000 2.325 139 L HA 0.647 4.987 4.340 0.001 0.000 0.281 139 L C -0.140 176.832 176.870 0.171 0.000 1.004 139 L CA -0.618 54.360 54.840 0.229 0.000 0.823 139 L CB 1.380 43.598 42.059 0.264 0.000 1.236 139 L HN 0.412 nan 8.230 nan 0.000 0.415 140 I N 3.351 124.031 120.570 0.184 0.000 2.582 140 I HA 0.489 4.660 4.170 0.001 0.000 0.292 140 I C -0.692 175.528 176.117 0.171 0.000 1.066 140 I CA -0.886 60.492 61.300 0.131 0.000 1.053 140 I CB 2.726 40.773 38.000 0.077 0.000 1.241 140 I HN 0.201 nan 8.210 nan 0.000 0.421 141 V N 6.463 126.459 119.914 0.136 0.000 2.448 141 V HA 0.547 4.667 4.120 0.001 0.000 0.295 141 V C -0.110 176.040 176.094 0.093 0.000 1.025 141 V CA -0.543 61.836 62.300 0.132 0.000 0.859 141 V CB 1.797 33.686 31.823 0.110 0.000 0.988 141 V HN 0.591 nan 8.190 nan 0.000 0.431 142 I N 1.706 122.325 120.570 0.082 0.000 2.846 142 I HA 0.748 4.919 4.170 0.001 0.000 0.307 142 I C -0.724 175.428 176.117 0.058 0.000 1.053 142 I CA -0.991 60.345 61.300 0.061 0.000 1.050 142 I CB 2.381 40.407 38.000 0.044 0.000 1.239 142 I HN 0.397 nan 8.210 nan 0.000 0.439 143 K N 3.737 124.165 120.400 0.047 0.000 2.413 143 K HA 0.528 4.849 4.320 0.001 0.000 0.257 143 K C -1.235 175.385 176.600 0.033 0.000 0.946 143 K CA -0.577 55.737 56.287 0.045 0.000 0.823 143 K CB 2.162 34.689 32.500 0.046 0.000 1.109 143 K HN 0.596 nan 8.250 nan 0.000 0.427 144 Q N 2.472 122.295 119.800 0.039 0.000 2.413 144 Q HA 0.403 4.744 4.340 0.001 0.000 0.276 144 Q C -2.504 173.526 176.000 0.051 0.000 1.099 144 Q CA -2.477 53.347 55.803 0.035 0.000 0.814 144 Q CB 2.183 30.940 28.738 0.031 0.000 1.379 144 Q HN 0.342 nan 8.270 nan 0.000 0.436 145 P HA -0.072 nan 4.420 nan 0.000 0.265 145 P C 0.183 177.535 177.300 0.085 0.000 1.187 145 P CA 0.504 63.657 63.100 0.088 0.000 0.766 145 P CB 0.799 32.559 31.700 0.099 0.000 0.820 146 I N 0.961 121.591 120.570 0.099 0.000 2.546 146 I HA -0.048 4.122 4.170 0.001 0.000 0.255 146 I C 1.150 177.309 176.117 0.071 0.000 1.163 146 I CA 1.863 63.206 61.300 0.072 0.000 1.457 146 I CB -0.335 37.696 38.000 0.052 0.000 1.092 146 I HN 0.734 nan 8.210 nan 0.000 0.434 147 G N -0.409 108.448 108.800 0.095 0.000 2.348 147 G HA2 -0.151 3.809 3.960 0.001 0.000 0.199 147 G HA3 -0.151 3.809 3.960 0.001 0.000 0.199 147 G C -0.630 174.327 174.900 0.095 0.000 1.235 147 G CA -0.226 44.926 45.100 0.086 0.000 1.264 147 G HN -0.008 nan 8.290 nan 0.000 0.543 148 V N 2.384 122.339 119.914 0.068 0.000 2.508 148 V HA 0.539 4.660 4.120 0.001 0.000 0.281 148 V C 1.055 177.191 176.094 0.071 0.000 1.041 148 V CA 0.849 63.185 62.300 0.060 0.000 1.016 148 V CB 0.541 32.384 31.823 0.033 0.000 0.984 148 V HN 1.366 nan 8.190 nan 0.000 0.478 149 T N 2.323 116.933 114.554 0.094 0.000 2.908 149 T HA 0.871 5.221 4.350 0.001 0.000 0.290 149 T C -0.498 174.262 174.700 0.101 0.000 1.034 149 T CA -0.504 61.667 62.100 0.119 0.000 1.010 149 T CB 2.102 71.110 68.868 0.234 0.000 1.068 149 T HN 1.000 nan 8.240 nan 0.000 0.481 150 A N 0.983 123.860 122.820 0.095 0.000 2.365 150 A HA 0.951 5.272 4.320 0.001 0.000 0.318 150 A C -0.338 177.315 177.584 0.116 0.000 1.091 150 A CA -0.843 51.243 52.037 0.081 0.000 0.763 150 A CB 1.273 20.303 19.000 0.050 0.000 1.248 150 A HN 1.646 nan 8.150 nan 0.000 0.442 151 A N 1.744 124.635 122.820 0.118 0.000 2.393 151 A HA 0.763 5.084 4.320 0.001 0.000 0.306 151 A C -1.027 176.636 177.584 0.132 0.000 1.050 151 A CA -0.319 51.802 52.037 0.140 0.000 0.724 151 A CB 0.793 19.887 19.000 0.157 0.000 1.248 151 A HN 0.746 nan 8.150 nan 0.000 0.424 152 I N 2.493 123.166 120.570 0.172 0.000 2.418 152 I HA 0.451 4.622 4.170 0.001 0.000 0.287 152 I C 0.103 176.288 176.117 0.113 0.000 1.008 152 I CA -0.342 61.081 61.300 0.205 0.000 1.104 152 I CB 2.411 40.635 38.000 0.373 0.000 1.264 152 I HN 0.756 nan 8.210 nan 0.000 0.438 153 T N 3.850 118.441 114.554 0.061 0.000 2.885 153 T HA 0.691 5.042 4.350 0.001 0.000 0.285 153 T C -2.719 171.963 174.700 -0.030 0.000 1.019 153 T CA -2.041 60.044 62.100 -0.026 0.000 1.010 153 T CB 2.323 71.201 68.868 0.016 0.000 1.022 153 T HN 0.221 nan 8.240 nan 0.000 0.466 154 P HA 0.316 nan 4.420 nan 0.000 0.297 154 P C 0.658 177.908 177.300 -0.083 0.000 1.307 154 P CA -0.853 62.148 63.100 -0.165 0.000 0.773 154 P CB 0.955 32.420 31.700 -0.391 0.000 1.265 155 W N 0.499 121.824 121.300 0.043 0.000 3.077 155 W HA 0.051 4.712 4.660 0.001 0.000 0.266 155 W C 0.809 177.335 176.519 0.013 0.000 1.300 155 W CA 0.295 57.657 57.345 0.029 0.000 1.586 155 W CB -1.507 27.961 29.460 0.013 0.000 1.103 155 W HN 0.231 nan 8.180 nan 0.000 0.652 156 N N 1.736 120.207 118.700 -0.383 0.000 2.333 156 N HA -0.113 4.628 4.740 0.001 0.000 0.178 156 N C -0.209 175.019 175.510 -0.469 0.000 1.018 156 N CA 0.547 53.358 53.050 -0.398 0.000 0.882 156 N CB -1.091 36.977 38.487 -0.699 0.000 0.984 156 N HN 0.035 nan 8.380 nan 0.000 0.434 157 F N 0.432 120.339 119.950 -0.071 0.000 2.564 157 F HA 0.450 4.978 4.527 0.001 0.000 0.361 157 F C -1.809 174.002 175.800 0.019 0.000 1.161 157 F CA -2.120 55.879 58.000 -0.001 0.000 1.198 157 F CB 2.197 41.196 39.000 -0.002 0.000 1.424 157 F HN -0.115 nan 8.300 nan 0.000 0.517 158 P HA -0.082 nan 4.420 nan 0.000 0.226 158 P C 1.144 178.531 177.300 0.144 0.000 1.153 158 P CA 0.989 64.173 63.100 0.141 0.000 0.777 158 P CB 0.441 32.226 31.700 0.142 0.000 0.794 159 A N -0.287 122.626 122.820 0.154 0.000 1.944 159 A HA 0.381 4.702 4.320 0.001 0.000 0.207 159 A C 2.231 179.855 177.584 0.066 0.000 1.265 159 A CA 0.920 53.030 52.037 0.121 0.000 0.712 159 A CB -1.206 17.869 19.000 0.125 0.000 0.915 159 A HN 0.109 nan 8.150 nan 0.000 0.470 160 A N -0.286 122.595 122.820 0.101 0.000 1.930 160 A HA -0.087 4.234 4.320 0.001 0.000 0.217 160 A C 2.135 179.605 177.584 -0.190 0.000 1.175 160 A CA 1.852 53.860 52.037 -0.047 0.000 0.627 160 A CB -0.548 18.498 19.000 0.077 0.000 0.815 160 A HN 0.403 nan 8.150 nan 0.000 0.443 161 M N -0.231 119.331 119.600 -0.063 0.000 2.149 161 M HA -0.135 4.345 4.480 0.001 0.000 0.261 161 M C 1.979 178.226 176.300 -0.088 0.000 1.064 161 M CA 1.229 56.468 55.300 -0.101 0.000 1.102 161 M CB -1.209 31.372 32.600 -0.031 0.000 1.369 161 M HN 0.317 nan 8.290 nan 0.000 0.408 162 I N 0.352 120.909 120.570 -0.022 0.000 2.133 162 I HA -0.214 3.957 4.170 0.001 0.000 0.238 162 I C 2.709 178.783 176.117 -0.072 0.000 1.074 162 I CA 2.220 63.542 61.300 0.037 0.000 1.342 162 I CB -2.178 35.900 38.000 0.131 0.000 1.053 162 I HN 0.353 nan 8.210 nan 0.000 0.404 163 T N -0.954 113.499 114.554 -0.169 0.000 2.867 163 T HA -0.149 4.201 4.350 0.001 0.000 0.268 163 T C 2.049 176.595 174.700 -0.256 0.000 1.057 163 T CA 0.871 62.826 62.100 -0.243 0.000 1.136 163 T CB -0.442 68.290 68.868 -0.226 0.000 0.874 163 T HN 0.204 nan 8.240 nan 0.000 0.466 164 R N 1.004 121.215 120.500 -0.481 0.000 2.193 164 R HA 0.069 4.410 4.340 0.001 0.000 0.229 164 R C 2.372 178.507 176.300 -0.276 0.000 1.110 164 R CA 1.273 57.004 56.100 -0.615 0.000 0.988 164 R CB -0.027 29.797 30.300 -0.793 0.000 0.871 164 R HN 0.501 nan 8.270 nan 0.000 0.458 165 K N -1.403 118.882 120.400 -0.191 0.000 2.286 165 K HA 0.216 4.537 4.320 0.001 0.000 0.203 165 K C 1.913 178.381 176.600 -0.220 0.000 1.078 165 K CA 0.582 56.802 56.287 -0.112 0.000 0.957 165 K CB 0.226 32.754 32.500 0.046 0.000 1.018 165 K HN 0.010 nan 8.250 nan 0.000 0.484 166 A N 1.647 124.396 122.820 -0.120 0.000 1.969 166 A HA -0.030 4.291 4.320 0.001 0.000 0.218 166 A C 2.247 179.739 177.584 -0.152 0.000 1.169 166 A CA 1.816 53.792 52.037 -0.103 0.000 0.635 166 A CB -1.190 17.734 19.000 -0.126 0.000 0.810 166 A HN 0.374 nan 8.150 nan 0.000 0.445 167 G N 0.654 109.354 108.800 -0.168 0.000 2.511 167 G HA2 -0.203 3.757 3.960 0.001 0.000 0.216 167 G HA3 -0.203 3.757 3.960 0.001 0.000 0.216 167 G C 0.012 174.743 174.900 -0.281 0.000 1.218 167 G CA 1.334 46.403 45.100 -0.052 0.000 0.788 167 G HN 0.534 nan 8.290 nan 0.000 0.560 168 P HA -0.003 nan 4.420 nan 0.000 0.219 168 P C 2.023 178.857 177.300 -0.778 0.000 1.150 168 P CA 1.927 64.326 63.100 -1.168 0.000 0.814 168 P CB -0.134 30.665 31.700 -1.503 0.000 0.787 169 A N 0.845 123.101 122.820 -0.940 0.000 1.858 169 A HA -0.137 4.184 4.320 0.001 0.000 0.216 169 A C 2.460 179.997 177.584 -0.079 0.000 1.190 169 A CA 1.535 53.233 52.037 -0.564 0.000 0.617 169 A CB -1.577 17.215 19.000 -0.347 0.000 0.827 169 A HN 0.091 nan 8.150 nan 0.000 0.443 170 L N -0.971 120.258 121.223 0.010 0.000 2.093 170 L HA -0.156 4.185 4.340 0.001 0.000 0.208 170 L C 3.037 180.146 176.870 0.398 0.000 1.085 170 L CA 1.194 56.224 54.840 0.317 0.000 0.755 170 L CB -0.842 41.368 42.059 0.253 0.000 0.904 170 L HN 0.474 nan 8.230 nan 0.000 0.435 171 A N 0.243 123.160 122.820 0.161 0.000 2.015 171 A HA -0.052 4.269 4.320 0.001 0.000 0.219 171 A C 2.467 180.072 177.584 0.034 0.000 1.163 171 A CA 1.419 53.514 52.037 0.097 0.000 0.646 171 A CB -0.421 18.644 19.000 0.108 0.000 0.806 171 A HN 0.386 nan 8.150 nan 0.000 0.448 172 A N -1.795 121.042 122.820 0.030 0.000 2.119 172 A HA 0.354 4.675 4.320 0.001 0.000 0.217 172 A C 1.904 179.522 177.584 0.057 0.000 1.153 172 A CA 1.490 53.554 52.037 0.044 0.000 0.692 172 A CB -0.788 18.264 19.000 0.086 0.000 0.799 172 A HN 1.859 nan 8.150 nan 0.000 0.458 173 G N -2.587 106.281 108.800 0.113 0.000 2.159 173 G HA2 -0.226 3.735 3.960 0.001 0.000 0.227 173 G HA3 -0.226 3.735 3.960 0.001 0.000 0.227 173 G C 0.204 175.305 174.900 0.335 0.000 0.986 173 G CA -0.045 45.116 45.100 0.101 0.000 0.651 173 G HN 0.610 nan 8.290 nan 0.000 0.523 174 C N 1.305 120.797 119.300 0.321 0.000 2.500 174 C HA 0.831 5.291 4.460 0.001 0.000 0.367 174 C C 1.266 176.386 174.990 0.217 0.000 1.283 174 C CA 0.451 59.624 59.018 0.258 0.000 2.456 174 C CB 0.888 28.754 27.740 0.211 0.000 2.457 174 C HN 0.845 nan 8.230 nan 0.000 0.632 175 T N -0.136 114.482 114.554 0.106 0.000 2.950 175 T HA 0.731 5.081 4.350 0.001 0.000 0.288 175 T C -0.762 173.957 174.700 0.033 0.000 1.035 175 T CA -0.662 61.426 62.100 -0.021 0.000 1.028 175 T CB 1.509 70.347 68.868 -0.050 0.000 1.109 175 T HN 0.779 nan 8.240 nan 0.000 0.514 176 M N 1.539 121.151 119.600 0.020 0.000 2.433 176 M HA 0.619 5.099 4.480 0.001 0.000 0.290 176 M C -2.286 174.009 176.300 -0.009 0.000 1.173 176 M CA -0.800 54.547 55.300 0.077 0.000 0.905 176 M CB 2.158 34.884 32.600 0.209 0.000 1.692 176 M HN 0.549 nan 8.290 nan 0.000 0.462 177 V N 5.243 125.149 119.914 -0.015 0.000 2.378 177 V HA 0.532 4.653 4.120 0.001 0.000 0.288 177 V C -0.961 175.107 176.094 -0.043 0.000 1.016 177 V CA -0.638 61.612 62.300 -0.083 0.000 0.840 177 V CB 1.542 33.327 31.823 -0.063 0.000 0.994 177 V HN 0.829 nan 8.190 nan 0.000 0.431 178 L N 4.994 126.151 121.223 -0.111 0.000 2.322 178 L HA 0.618 4.959 4.340 0.001 0.000 0.281 178 L C -0.134 176.716 176.870 -0.034 0.000 1.014 178 L CA -0.337 54.489 54.840 -0.024 0.000 0.815 178 L CB 1.345 43.419 42.059 0.024 0.000 1.247 178 L HN 0.570 nan 8.230 nan 0.000 0.421 179 K N 7.453 127.868 120.400 0.025 0.000 2.389 179 K HA 0.506 4.827 4.320 0.001 0.000 0.261 179 K C -2.708 173.928 176.600 0.060 0.000 1.014 179 K CA -1.827 54.479 56.287 0.031 0.000 0.920 179 K CB 1.512 34.036 32.500 0.040 0.000 1.149 179 K HN 0.320 nan 8.250 nan 0.000 0.444 180 P HA 0.150 nan 4.420 nan 0.000 0.278 180 P C -0.814 176.529 177.300 0.073 0.000 1.266 180 P CA -0.538 62.605 63.100 0.072 0.000 0.807 180 P CB 0.851 32.595 31.700 0.073 0.000 1.094 181 A N 1.266 124.144 122.820 0.096 0.000 2.520 181 A HA 0.137 4.457 4.320 0.001 0.000 0.245 181 A C 1.628 179.253 177.584 0.069 0.000 1.072 181 A CA 0.119 52.233 52.037 0.128 0.000 0.761 181 A CB -0.769 18.368 19.000 0.228 0.000 1.004 181 A HN 0.496 nan 8.150 nan 0.000 0.499 182 S N 1.292 117.021 115.700 0.050 0.000 2.442 182 S HA -0.149 4.321 4.470 0.001 0.000 0.236 182 S C 1.748 176.318 174.600 -0.050 0.000 1.007 182 S CA 1.755 59.948 58.200 -0.013 0.000 0.965 182 S CB -0.151 63.046 63.200 -0.005 0.000 0.773 182 S HN 0.818 nan 8.310 nan 0.000 0.504 183 Q N 0.344 120.137 119.800 -0.011 0.000 2.331 183 Q HA 0.022 4.362 4.340 0.001 0.000 0.203 183 Q C 0.612 176.593 176.000 -0.033 0.000 0.944 183 Q CA 1.018 56.791 55.803 -0.051 0.000 0.892 183 Q CB 0.295 28.966 28.738 -0.113 0.000 0.983 183 Q HN 0.584 nan 8.270 nan 0.000 0.482 184 T N -3.164 111.399 114.554 0.014 0.000 3.734 184 T HA 0.259 4.610 4.350 0.001 0.000 0.238 184 T C -2.567 172.132 174.700 -0.002 0.000 1.205 184 T CA -1.341 60.778 62.100 0.031 0.000 1.606 184 T CB 1.015 69.969 68.868 0.144 0.000 0.832 184 T HN -0.087 nan 8.240 nan 0.000 0.655 185 P HA 0.201 nan 4.420 nan 0.000 0.234 185 P C 1.064 178.366 177.300 0.004 0.000 1.175 185 P CA -0.026 63.006 63.100 -0.114 0.000 0.801 185 P CB -0.097 31.469 31.700 -0.224 0.000 0.891 186 F N 0.982 121.017 119.950 0.142 0.000 2.171 186 F HA -0.087 4.441 4.527 0.001 0.000 0.300 186 F C 2.545 178.447 175.800 0.171 0.000 1.090 186 F CA 1.029 59.130 58.000 0.167 0.000 1.293 186 F CB -1.702 37.444 39.000 0.245 0.000 1.013 186 F HN -0.086 nan 8.300 nan 0.000 0.486 187 S N -0.003 115.895 115.700 0.330 0.000 2.368 187 S HA -0.179 4.292 4.470 0.001 0.000 0.225 187 S C 2.401 177.152 174.600 0.251 0.000 1.030 187 S CA 1.089 59.442 58.200 0.254 0.000 0.999 187 S CB -0.687 62.634 63.200 0.202 0.000 0.844 187 S HN 0.366 nan 8.310 nan 0.000 0.459 188 A N 1.292 124.254 122.820 0.237 0.000 1.877 188 A HA -0.000 4.320 4.320 0.001 0.000 0.216 188 A C 2.102 179.873 177.584 0.312 0.000 1.186 188 A CA 1.172 53.364 52.037 0.258 0.000 0.620 188 A CB -0.682 18.434 19.000 0.194 0.000 0.822 188 A HN 0.460 nan 8.150 nan 0.000 0.443 189 L N -0.884 120.517 121.223 0.297 0.000 2.109 189 L HA -0.125 4.216 4.340 0.001 0.000 0.207 189 L C 3.067 180.165 176.870 0.380 0.000 1.086 189 L CA 0.836 55.890 54.840 0.358 0.000 0.760 189 L CB -0.543 41.720 42.059 0.340 0.000 0.910 189 L HN 0.428 nan 8.230 nan 0.000 0.437 190 A N 0.082 123.084 122.820 0.303 0.000 1.902 190 A HA -0.197 4.124 4.320 0.001 0.000 0.217 190 A C 2.154 179.924 177.584 0.310 0.000 1.181 190 A CA 1.481 53.668 52.037 0.249 0.000 0.623 190 A CB -0.581 18.546 19.000 0.210 0.000 0.818 190 A HN 0.242 nan 8.150 nan 0.000 0.443 191 L N -0.370 121.075 121.223 0.370 0.000 2.046 191 L HA -0.136 4.204 4.340 0.001 0.000 0.208 191 L C 3.000 180.250 176.870 0.633 0.000 1.077 191 L CA 1.832 56.982 54.840 0.517 0.000 0.747 191 L CB -1.337 40.999 42.059 0.462 0.000 0.896 191 L HN 0.423 nan 8.230 nan 0.000 0.432 192 A N -0.553 122.606 122.820 0.565 0.000 1.883 192 A HA -0.286 4.034 4.320 0.001 0.000 0.217 192 A C 2.294 180.060 177.584 0.304 0.000 1.186 192 A CA 1.926 54.228 52.037 0.443 0.000 0.624 192 A CB -0.614 18.551 19.000 0.275 0.000 0.822 192 A HN 0.456 nan 8.150 nan 0.000 0.444 193 E N 0.353 120.822 120.200 0.447 0.000 2.058 193 E HA -0.167 4.184 4.350 0.001 0.000 0.194 193 E C 1.769 178.492 176.600 0.205 0.000 0.997 193 E CA 1.649 58.297 56.400 0.413 0.000 0.801 193 E CB -0.500 29.368 29.700 0.280 0.000 0.746 193 E HN 0.595 nan 8.360 nan 0.000 0.450 194 L N -0.148 121.202 121.223 0.211 0.000 2.141 194 L HA -0.026 4.315 4.340 0.001 0.000 0.209 194 L C 2.527 179.384 176.870 -0.022 0.000 1.094 194 L CA 0.795 55.750 54.840 0.191 0.000 0.763 194 L CB -0.584 41.703 42.059 0.379 0.000 0.908 194 L HN 0.248 nan 8.230 nan 0.000 0.437 195 A N 0.634 123.261 122.820 -0.322 0.000 1.902 195 A HA -0.189 4.132 4.320 0.001 0.000 0.217 195 A C 2.142 179.491 177.584 -0.391 0.000 1.181 195 A CA 1.349 52.851 52.037 -0.891 0.000 0.623 195 A CB -0.436 17.912 19.000 -1.088 0.000 0.818 195 A HN 0.236 nan 8.150 nan 0.000 0.443 196 I N 0.055 120.521 120.570 -0.173 0.000 2.118 196 I HA -0.256 3.914 4.170 0.001 0.000 0.241 196 I C 2.525 178.620 176.117 -0.036 0.000 1.070 196 I CA 1.669 62.920 61.300 -0.082 0.000 1.327 196 I CB -1.538 36.471 38.000 0.016 0.000 1.034 196 I HN 0.364 nan 8.210 nan 0.000 0.405 197 R N 0.650 121.154 120.500 0.007 0.000 2.120 197 R HA -0.087 4.254 4.340 0.001 0.000 0.234 197 R C 2.208 178.531 176.300 0.039 0.000 1.123 197 R CA 1.417 57.543 56.100 0.042 0.000 0.975 197 R CB -0.398 29.948 30.300 0.077 0.000 0.866 197 R HN 0.393 nan 8.270 nan 0.000 0.446 198 A N 0.040 122.864 122.820 0.006 0.000 2.119 198 A HA 0.102 4.423 4.320 0.001 0.000 0.217 198 A C 1.499 179.100 177.584 0.028 0.000 1.153 198 A CA 1.155 53.217 52.037 0.041 0.000 0.692 198 A CB -0.122 18.904 19.000 0.043 0.000 0.799 198 A HN 0.485 nan 8.150 nan 0.000 0.458 199 G N -1.933 106.859 108.800 -0.014 0.000 2.134 199 G HA2 -0.149 3.811 3.960 0.001 0.000 0.209 199 G HA3 -0.149 3.811 3.960 0.001 0.000 0.209 199 G C 0.061 174.957 174.900 -0.008 0.000 0.993 199 G CA -0.068 45.037 45.100 0.009 0.000 0.669 199 G HN 0.741 nan 8.290 nan 0.000 0.519 200 V N 2.217 122.057 119.914 -0.123 0.000 2.450 200 V HA 0.285 4.406 4.120 0.001 0.000 0.281 200 V C -0.936 175.044 176.094 -0.190 0.000 1.019 200 V CA -0.699 61.463 62.300 -0.229 0.000 1.062 200 V CB 0.771 32.319 31.823 -0.458 0.000 0.979 200 V HN 0.219 nan 8.190 nan 0.000 0.477 201 P HA 0.185 nan 4.420 nan 0.000 0.270 201 P C -0.231 176.979 177.300 -0.149 0.000 1.223 201 P CA -0.198 62.850 63.100 -0.085 0.000 0.785 201 P CB 0.462 32.167 31.700 0.010 0.000 0.923 202 A N 1.931 124.683 122.820 -0.115 0.000 2.548 202 A HA 0.396 4.716 4.320 0.001 0.000 0.247 202 A C 1.530 179.030 177.584 -0.140 0.000 1.067 202 A CA 0.886 52.840 52.037 -0.139 0.000 0.757 202 A CB -1.511 17.424 19.000 -0.108 0.000 0.996 202 A HN 0.882 nan 8.150 nan 0.000 0.504 203 G N 1.110 109.805 108.800 -0.174 0.000 2.234 203 G HA2 -0.263 3.698 3.960 0.001 0.000 0.235 203 G HA3 -0.263 3.698 3.960 0.001 0.000 0.235 203 G C 0.925 175.718 174.900 -0.178 0.000 0.997 203 G CA 0.520 45.526 45.100 -0.157 0.000 0.623 203 G HN 1.199 nan 8.290 nan 0.000 0.514 204 V N -0.462 119.306 119.914 -0.244 0.000 2.453 204 V HA 0.343 4.464 4.120 0.001 0.000 0.247 204 V C 0.915 176.866 176.094 -0.238 0.000 1.048 204 V CA 2.052 64.128 62.300 -0.374 0.000 1.049 204 V CB -0.153 31.213 31.823 -0.761 0.000 0.672 204 V HN 0.540 nan 8.190 nan 0.000 0.457 205 F N 1.730 121.458 119.950 -0.370 0.000 2.553 205 F HA 0.515 5.042 4.527 0.001 0.000 0.335 205 F C -0.548 175.113 175.800 -0.232 0.000 1.148 205 F CA -1.255 56.577 58.000 -0.281 0.000 0.963 205 F CB 0.959 39.759 39.000 -0.333 0.000 1.217 205 F HN 0.017 nan 8.300 nan 0.000 0.441 206 N N 5.127 123.432 118.700 -0.658 0.000 2.269 206 N HA 0.592 5.333 4.740 0.001 0.000 0.304 206 N C -1.688 173.418 175.510 -0.675 0.000 1.072 206 N CA -0.664 52.043 53.050 -0.572 0.000 0.802 206 N CB 2.988 41.283 38.487 -0.321 0.000 1.348 206 N HN 0.268 nan 8.380 nan 0.000 0.484 207 V N 1.933 121.534 119.914 -0.522 0.000 2.376 207 V HA 0.301 4.421 4.120 0.001 0.000 0.287 207 V C -0.188 175.798 176.094 -0.180 0.000 1.015 207 V CA -0.734 61.361 62.300 -0.342 0.000 0.834 207 V CB 1.675 33.343 31.823 -0.258 0.000 1.001 207 V HN 0.364 nan 8.190 nan 0.000 0.428 208 V N 4.478 124.317 119.914 -0.124 0.000 2.357 208 V HA 0.495 4.616 4.120 0.001 0.000 0.284 208 V C 0.490 176.563 176.094 -0.035 0.000 1.018 208 V CA -0.412 61.845 62.300 -0.073 0.000 0.841 208 V CB 1.993 33.775 31.823 -0.068 0.000 0.991 208 V HN 0.982 nan 8.190 nan 0.000 0.437 209 T N 1.651 116.194 114.554 -0.018 0.000 2.875 209 T HA 0.896 5.246 4.350 0.001 0.000 0.284 209 T C 0.146 174.842 174.700 -0.008 0.000 0.995 209 T CA -0.119 61.976 62.100 -0.008 0.000 1.060 209 T CB 1.841 70.705 68.868 -0.008 0.000 0.967 209 T HN 1.283 nan 8.240 nan 0.000 0.476 210 G N 0.072 108.870 108.800 -0.004 0.000 2.328 210 G HA2 0.424 4.385 3.960 0.001 0.000 0.295 210 G HA3 0.424 4.385 3.960 0.001 0.000 0.295 210 G C -1.220 173.684 174.900 0.006 0.000 1.413 210 G CA -0.648 44.451 45.100 -0.001 0.000 0.817 210 G HN 0.880 nan 8.290 nan 0.000 0.546 211 S N 0.330 116.033 115.700 0.006 0.000 2.415 211 S HA 0.632 5.103 4.470 0.001 0.000 0.313 211 S C 1.235 175.845 174.600 0.017 0.000 1.067 211 S CA 1.235 59.442 58.200 0.011 0.000 1.099 211 S CB -0.211 62.992 63.200 0.005 0.000 0.991 211 S HN 2.494 nan 8.310 nan 0.000 0.491 212 A N 5.046 127.885 122.820 0.031 0.000 5.251 212 A HA -0.264 4.056 4.320 0.001 0.000 0.334 212 A C 1.811 179.405 177.584 0.016 0.000 1.764 212 A CA 1.557 53.616 52.037 0.035 0.000 0.708 212 A CB -2.103 16.916 19.000 0.032 0.000 1.420 212 A HN 1.660 nan 8.150 nan 0.000 0.394 213 G N -1.624 107.177 108.800 0.002 0.000 2.448 213 G HA2 0.188 4.148 3.960 0.001 0.000 0.219 213 G HA3 0.188 4.148 3.960 0.001 0.000 0.219 213 G C 1.814 176.708 174.900 -0.010 0.000 1.127 213 G CA 2.628 47.721 45.100 -0.011 0.000 0.766 213 G HN 1.950 nan 8.290 nan 0.000 0.552 214 A N 0.379 123.196 122.820 -0.005 0.000 1.859 214 A HA -0.062 4.259 4.320 0.001 0.000 0.217 214 A C 2.617 180.197 177.584 -0.008 0.000 1.198 214 A CA 2.223 54.256 52.037 -0.006 0.000 0.629 214 A CB -0.877 18.120 19.000 -0.004 0.000 0.830 214 A HN 0.289 nan 8.150 nan 0.000 0.446 215 V N -0.207 119.705 119.914 -0.004 0.000 2.307 215 V HA -0.124 3.997 4.120 0.001 0.000 0.245 215 V C 2.841 178.932 176.094 -0.005 0.000 1.045 215 V CA 1.910 64.207 62.300 -0.005 0.000 1.024 215 V CB -1.547 30.276 31.823 0.000 0.000 0.651 215 V HN 0.650 nan 8.190 nan 0.000 0.449 216 G N 0.258 109.056 108.800 -0.004 0.000 2.440 216 G HA2 -0.281 3.679 3.960 0.001 0.000 0.218 216 G HA3 -0.281 3.679 3.960 0.001 0.000 0.218 216 G C 1.413 176.298 174.900 -0.025 0.000 1.154 216 G CA 1.001 46.093 45.100 -0.014 0.000 0.767 216 G HN 0.516 nan 8.290 nan 0.000 0.552 217 N N 0.536 119.222 118.700 -0.024 0.000 2.149 217 N HA -0.083 4.658 4.740 0.001 0.000 0.188 217 N C 2.066 177.563 175.510 -0.021 0.000 1.019 217 N CA 1.395 54.430 53.050 -0.025 0.000 0.857 217 N CB -0.261 38.213 38.487 -0.022 0.000 0.997 217 N HN 0.426 nan 8.380 nan 0.000 0.426 218 E N 0.837 121.027 120.200 -0.017 0.000 2.072 218 E HA 0.032 4.383 4.350 0.001 0.000 0.190 218 E C 1.974 178.565 176.600 -0.014 0.000 0.982 218 E CA 0.639 57.030 56.400 -0.015 0.000 0.803 218 E CB -0.311 29.380 29.700 -0.015 0.000 0.755 218 E HN 0.285 nan 8.360 nan 0.000 0.453 219 L N 0.398 121.614 121.223 -0.012 0.000 2.042 219 L HA -0.179 4.161 4.340 0.001 0.000 0.210 219 L C 2.528 179.392 176.870 -0.010 0.000 1.076 219 L CA 1.906 56.742 54.840 -0.007 0.000 0.749 219 L CB -0.880 41.180 42.059 0.002 0.000 0.893 219 L HN 0.338 nan 8.230 nan 0.000 0.432 220 T N -4.720 109.823 114.554 -0.019 0.000 3.043 220 T HA -0.040 4.310 4.350 0.001 0.000 0.263 220 T C 1.791 176.479 174.700 -0.020 0.000 1.094 220 T CA 0.779 62.865 62.100 -0.024 0.000 1.127 220 T CB -0.079 68.766 68.868 -0.039 0.000 0.905 220 T HN 0.394 nan 8.240 nan 0.000 0.490 221 S N 0.458 116.147 115.700 -0.018 0.000 2.511 221 S HA 0.177 4.648 4.470 0.001 0.000 0.214 221 S C 0.770 175.362 174.600 -0.012 0.000 0.997 221 S CA -0.574 57.617 58.200 -0.016 0.000 0.908 221 S CB -0.483 62.707 63.200 -0.016 0.000 0.803 221 S HN 0.375 nan 8.310 nan 0.000 0.504 222 N N 3.604 122.297 118.700 -0.011 0.000 2.411 222 N HA 0.253 4.994 4.740 0.001 0.000 0.259 222 N C -1.914 173.592 175.510 -0.006 0.000 1.103 222 N CA -1.759 51.286 53.050 -0.009 0.000 0.954 222 N CB 1.587 40.069 38.487 -0.009 0.000 1.085 222 N HN 0.118 nan 8.380 nan 0.000 0.485 223 P HA -0.067 nan 4.420 nan 0.000 0.230 223 P C 1.456 178.757 177.300 0.001 0.000 1.158 223 P CA 0.655 63.754 63.100 -0.002 0.000 0.769 223 P CB 0.465 32.163 31.700 -0.002 0.000 0.807 224 L N -0.900 120.324 121.223 0.001 0.000 2.201 224 L HA -0.034 4.306 4.340 0.001 0.000 0.212 224 L C 0.951 177.827 176.870 0.010 0.000 1.105 224 L CA 0.585 55.428 54.840 0.005 0.000 0.775 224 L CB -0.543 41.518 42.059 0.002 0.000 0.913 224 L HN -0.206 nan 8.230 nan 0.000 0.440 225 V N 0.906 120.824 119.914 0.007 0.000 2.439 225 V HA 0.041 4.161 4.120 0.001 0.000 0.271 225 V C 1.146 177.247 176.094 0.011 0.000 1.040 225 V CA 0.233 62.541 62.300 0.012 0.000 1.002 225 V CB 0.961 32.790 31.823 0.009 0.000 1.000 225 V HN 0.307 nan 8.190 nan 0.000 0.477 226 R N 2.678 123.188 120.500 0.017 0.000 2.334 226 R HA 0.226 4.567 4.340 0.001 0.000 0.212 226 R C 0.246 176.544 176.300 -0.003 0.000 0.897 226 R CA -0.105 56.001 56.100 0.010 0.000 1.056 226 R CB 0.505 30.816 30.300 0.018 0.000 1.046 226 R HN 0.587 nan 8.270 nan 0.000 0.513 227 K N 0.797 121.196 120.400 -0.002 0.000 2.561 227 K HA 0.271 4.592 4.320 0.001 0.000 0.254 227 K C -2.162 174.431 176.600 -0.012 0.000 0.942 227 K CA -0.678 55.589 56.287 -0.034 0.000 0.818 227 K CB 1.511 33.968 32.500 -0.071 0.000 1.306 227 K HN -0.058 nan 8.250 nan 0.000 0.435 228 L N 2.407 123.617 121.223 -0.022 0.000 2.362 228 L HA 0.735 5.076 4.340 0.001 0.000 0.275 228 L C -1.319 175.566 176.870 0.025 0.000 0.998 228 L CA 0.027 54.879 54.840 0.020 0.000 0.820 228 L CB 2.269 44.341 42.059 0.020 0.000 1.270 228 L HN 0.679 nan 8.230 nan 0.000 0.415 229 S N 4.464 120.214 115.700 0.084 0.000 2.502 229 S HA 0.740 5.211 4.470 0.001 0.000 0.304 229 S C -1.361 173.356 174.600 0.194 0.000 1.097 229 S CA -0.425 57.841 58.200 0.110 0.000 1.045 229 S CB 0.639 63.915 63.200 0.126 0.000 1.019 229 S HN 0.529 nan 8.310 nan 0.000 0.481 230 F N 3.266 123.226 119.950 0.016 0.000 2.569 230 F HA 0.664 5.192 4.527 0.001 0.000 0.312 230 F C -0.813 174.993 175.800 0.009 0.000 1.109 230 F CA -0.168 57.840 58.000 0.014 0.000 0.919 230 F CB 2.100 41.105 39.000 0.008 0.000 1.211 230 F HN 0.447 nan 8.300 nan 0.000 0.446 231 T N 4.491 118.507 114.554 -0.897 0.000 2.841 231 T HA 0.808 5.159 4.350 0.001 0.000 0.285 231 T C -0.157 173.754 174.700 -1.315 0.000 0.991 231 T CA -0.186 61.417 62.100 -0.827 0.000 0.966 231 T CB 1.222 69.864 68.868 -0.378 0.000 0.962 231 T HN 1.135 nan 8.240 nan 0.000 0.438 232 G N 1.850 110.042 108.800 -1.013 0.000 2.441 232 G HA2 0.452 4.412 3.960 0.001 0.000 0.225 232 G HA3 0.452 4.412 3.960 0.001 0.000 0.225 232 G C -0.563 174.286 174.900 -0.084 0.000 1.200 232 G CA -0.241 44.544 45.100 -0.526 0.000 0.947 232 G HN 0.929 nan 8.290 nan 0.000 0.484 233 S N -0.353 115.425 115.700 0.130 0.000 2.585 233 S HA 0.425 4.895 4.470 0.001 0.000 0.273 233 S C 1.396 176.125 174.600 0.215 0.000 1.339 233 S CA 1.069 59.333 58.200 0.105 0.000 1.028 233 S CB 1.257 64.507 63.200 0.084 0.000 0.906 233 S HN 0.848 nan 8.310 nan 0.000 0.528 234 T N 1.306 115.958 114.554 0.163 0.000 2.720 234 T HA -0.122 4.229 4.350 0.001 0.000 0.268 234 T C 1.658 176.434 174.700 0.127 0.000 1.037 234 T CA 1.838 64.049 62.100 0.184 0.000 1.144 234 T CB -0.516 68.502 68.868 0.250 0.000 0.864 234 T HN 0.797 nan 8.240 nan 0.000 0.444 235 E N 0.946 121.205 120.200 0.099 0.000 2.077 235 E HA -0.075 4.276 4.350 0.001 0.000 0.193 235 E C 1.967 178.570 176.600 0.005 0.000 0.989 235 E CA 0.783 57.212 56.400 0.048 0.000 0.800 235 E CB -0.406 29.321 29.700 0.044 0.000 0.746 235 E HN 0.313 nan 8.360 nan 0.000 0.452 236 I N 0.183 120.756 120.570 0.006 0.000 2.353 236 I HA -0.050 4.120 4.170 0.001 0.000 0.248 236 I C 2.278 178.195 176.117 -0.334 0.000 1.119 236 I CA 1.287 62.501 61.300 -0.144 0.000 1.417 236 I CB -1.672 36.265 38.000 -0.104 0.000 1.078 236 I HN 0.225 nan 8.210 nan 0.000 0.421 237 G N 1.137 109.848 108.800 -0.149 0.000 2.476 237 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 237 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 237 G C 1.899 176.750 174.900 -0.081 0.000 1.164 237 G CA 0.521 45.570 45.100 -0.085 0.000 0.768 237 G HN 0.312 nan 8.290 nan 0.000 0.560 238 R N 0.009 120.488 120.500 -0.035 0.000 2.083 238 R HA -0.095 4.245 4.340 0.001 0.000 0.237 238 R C 2.898 179.159 176.300 -0.065 0.000 1.137 238 R CA 1.748 57.828 56.100 -0.033 0.000 0.951 238 R CB -0.430 29.862 30.300 -0.013 0.000 0.851 238 R HN 0.475 nan 8.270 nan 0.000 0.434 239 Q N 0.464 120.210 119.800 -0.090 0.000 2.084 239 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 239 Q C 2.297 178.225 176.000 -0.121 0.000 0.978 239 Q CA 1.267 57.013 55.803 -0.096 0.000 0.844 239 Q CB -0.137 28.542 28.738 -0.099 0.000 0.898 239 Q HN 0.354 nan 8.270 nan 0.000 0.426 240 L N 0.041 121.148 121.223 -0.194 0.000 2.056 240 L HA -0.176 4.164 4.340 0.001 0.000 0.207 240 L C 2.584 179.385 176.870 -0.115 0.000 1.078 240 L CA 0.938 55.659 54.840 -0.198 0.000 0.749 240 L CB -0.337 41.511 42.059 -0.352 0.000 0.901 240 L HN 0.351 nan 8.230 nan 0.000 0.433 241 M N -0.051 119.493 119.600 -0.092 0.000 2.117 241 M HA -0.251 4.230 4.480 0.001 0.000 0.262 241 M C 2.096 178.370 176.300 -0.043 0.000 1.065 241 M CA 1.824 57.094 55.300 -0.050 0.000 1.114 241 M CB -0.017 32.566 32.600 -0.030 0.000 1.361 241 M HN 0.177 nan 8.290 nan 0.000 0.408 242 E N -0.125 120.046 120.200 -0.047 0.000 2.058 242 E HA -0.278 4.073 4.350 0.001 0.000 0.194 242 E C 2.020 178.597 176.600 -0.038 0.000 0.997 242 E CA 1.900 58.277 56.400 -0.038 0.000 0.801 242 E CB -0.183 29.494 29.700 -0.038 0.000 0.746 242 E HN 0.654 nan 8.360 nan 0.000 0.450 243 Q N -0.404 119.367 119.800 -0.048 0.000 2.170 243 Q HA -0.141 4.199 4.340 0.001 0.000 0.203 243 Q C 2.147 178.126 176.000 -0.036 0.000 0.976 243 Q CA 1.130 56.907 55.803 -0.043 0.000 0.858 243 Q CB -0.073 28.633 28.738 -0.054 0.000 0.907 243 Q HN 0.331 nan 8.270 nan 0.000 0.433 244 C N 0.036 119.313 119.300 -0.037 0.000 2.472 244 C HA 0.078 4.538 4.460 0.001 0.000 0.278 244 C C 2.573 177.550 174.990 -0.022 0.000 1.447 244 C CA 0.271 59.272 59.018 -0.028 0.000 1.773 244 C CB -1.154 26.568 27.740 -0.029 0.000 1.793 244 C HN 0.561 nan 8.230 nan 0.000 0.544 245 A N 0.827 123.633 122.820 -0.022 0.000 1.969 245 A HA -0.192 4.128 4.320 0.001 0.000 0.218 245 A C 2.237 179.812 177.584 -0.015 0.000 1.169 245 A CA 1.715 53.741 52.037 -0.018 0.000 0.635 245 A CB -0.495 18.494 19.000 -0.018 0.000 0.810 245 A HN 0.666 nan 8.150 nan 0.000 0.445 246 K N -0.258 120.133 120.400 -0.016 0.000 2.059 246 K HA -0.226 4.094 4.320 0.001 0.000 0.212 246 K C 0.502 177.096 176.600 -0.010 0.000 1.050 246 K CA 1.986 58.265 56.287 -0.013 0.000 0.927 246 K CB -0.174 32.317 32.500 -0.014 0.000 0.714 246 K HN 0.412 nan 8.250 nan 0.000 0.447 247 D N 0.315 120.708 120.400 -0.011 0.000 2.349 247 D HA 0.053 4.694 4.640 0.001 0.000 0.214 247 D C 0.247 176.543 176.300 -0.007 0.000 1.063 247 D CA 0.134 54.129 54.000 -0.008 0.000 0.847 247 D CB 0.398 41.194 40.800 -0.007 0.000 0.933 247 D HN 0.220 nan 8.370 nan 0.000 0.513 248 I N 1.064 121.628 120.570 -0.009 0.000 6.532 248 I HA -0.327 3.843 4.170 0.001 0.000 0.126 248 I C 0.211 176.322 176.117 -0.010 0.000 1.811 248 I CA 0.618 61.913 61.300 -0.009 0.000 2.115 248 I CB -2.296 35.701 38.000 -0.006 0.000 3.474 248 I HN 0.050 nan 8.210 nan 0.000 0.192 249 K N 1.530 121.923 120.400 -0.013 0.000 2.414 249 K HA 0.119 4.439 4.320 0.001 0.000 0.272 249 K C 0.738 177.325 176.600 -0.021 0.000 0.993 249 K CA -0.285 55.992 56.287 -0.015 0.000 0.964 249 K CB 0.914 33.405 32.500 -0.016 0.000 0.925 249 K HN 0.189 nan 8.250 nan 0.000 0.487 250 K N 1.986 122.369 120.400 -0.029 0.000 2.416 250 K HA 0.078 4.398 4.320 0.001 0.000 0.283 250 K C -0.961 175.605 176.600 -0.056 0.000 1.037 250 K CA -0.188 56.072 56.287 -0.045 0.000 0.995 250 K CB 0.520 32.982 32.500 -0.062 0.000 0.938 250 K HN 0.245 nan 8.250 nan 0.000 0.475 251 V N 3.224 123.111 119.914 -0.044 0.000 2.483 251 V HA 0.244 4.365 4.120 0.001 0.000 0.297 251 V C -0.581 175.498 176.094 -0.025 0.000 1.027 251 V CA -0.866 61.417 62.300 -0.030 0.000 0.855 251 V CB 1.809 33.626 31.823 -0.010 0.000 0.995 251 V HN 0.744 nan 8.190 nan 0.000 0.424 252 S N 5.604 121.289 115.700 -0.025 0.000 2.489 252 S HA 0.838 5.308 4.470 0.001 0.000 0.291 252 S C -0.611 174.032 174.600 0.071 0.000 1.151 252 S CA -0.512 57.690 58.200 0.004 0.000 1.082 252 S CB 1.023 64.206 63.200 -0.030 0.000 1.019 252 S HN 0.542 nan 8.310 nan 0.000 0.492 253 L N 2.805 124.077 121.223 0.083 0.000 2.464 253 L HA 0.506 4.847 4.340 0.001 0.000 0.266 253 L C -0.714 176.208 176.870 0.087 0.000 0.965 253 L CA -0.541 54.380 54.840 0.135 0.000 0.833 253 L CB 1.996 44.149 42.059 0.155 0.000 1.296 253 L HN 0.489 nan 8.230 nan 0.000 0.405 254 E N 5.128 125.354 120.200 0.044 0.000 2.182 254 E HA 0.550 4.900 4.350 0.001 0.000 0.258 254 E C -0.790 175.803 176.600 -0.012 0.000 0.879 254 E CA -0.322 56.085 56.400 0.012 0.000 0.754 254 E CB 2.644 32.329 29.700 -0.026 0.000 1.162 254 E HN 0.467 nan 8.360 nan 0.000 0.419 255 L N 0.232 121.483 121.223 0.047 0.000 2.755 255 L HA 0.568 4.909 4.340 0.001 0.000 0.243 255 L C 1.137 178.013 176.870 0.009 0.000 1.579 255 L CA -1.227 53.650 54.840 0.061 0.000 1.669 255 L CB 0.070 42.220 42.059 0.151 0.000 2.294 255 L HN 0.476 nan 8.230 nan 0.000 0.588 256 G N -0.944 107.858 108.800 0.004 0.000 2.559 256 G HA2 0.408 4.369 3.960 0.001 0.000 0.235 256 G HA3 0.408 4.369 3.960 0.001 0.000 0.235 256 G C -0.294 174.364 174.900 -0.404 0.000 1.266 256 G CA 0.383 45.340 45.100 -0.239 0.000 0.847 256 G HN 0.723 nan 8.290 nan 0.000 0.583 257 G N -0.624 107.870 108.800 -0.510 0.000 2.642 257 G HA2 0.459 4.420 3.960 0.001 0.000 0.293 257 G HA3 0.459 4.420 3.960 0.001 0.000 0.293 257 G C -1.039 173.613 174.900 -0.413 0.000 1.341 257 G CA -0.731 44.147 45.100 -0.369 0.000 0.916 257 G HN 0.734 nan 8.290 nan 0.000 0.474 258 N N -0.450 118.220 118.700 -0.050 0.000 2.722 258 N HA 0.453 5.194 4.740 0.001 0.000 0.242 258 N C -0.169 175.471 175.510 0.217 0.000 1.398 258 N CA -0.292 52.832 53.050 0.124 0.000 0.755 258 N CB 0.963 39.637 38.487 0.311 0.000 1.268 258 N HN 0.716 nan 8.380 nan 0.000 0.522 259 A N 2.923 125.843 122.820 0.167 0.000 2.451 259 A HA 0.450 4.771 4.320 0.001 0.000 0.266 259 A C -2.241 175.442 177.584 0.165 0.000 1.119 259 A CA -0.854 51.266 52.037 0.138 0.000 0.786 259 A CB -0.112 19.029 19.000 0.235 0.000 1.061 259 A HN 0.468 nan 8.150 nan 0.000 0.503 260 P HA 0.336 nan 4.420 nan 0.000 0.284 260 P C -1.041 176.436 177.300 0.294 0.000 1.253 260 P CA -0.084 63.139 63.100 0.204 0.000 0.800 260 P CB 0.715 32.469 31.700 0.089 0.000 0.961 261 F N 4.016 124.103 119.950 0.227 0.000 2.500 261 F HA 0.503 5.031 4.527 0.001 0.000 0.349 261 F C -0.748 175.175 175.800 0.204 0.000 1.127 261 F CA -0.906 57.237 58.000 0.239 0.000 0.998 261 F CB 0.665 39.747 39.000 0.138 0.000 1.237 261 F HN 0.094 nan 8.300 nan 0.000 0.439 262 I N 7.004 127.621 120.570 0.077 0.000 2.362 262 I HA 0.406 4.576 4.170 0.001 0.000 0.289 262 I C -0.986 175.158 176.117 0.045 0.000 0.994 262 I CA -1.098 60.233 61.300 0.050 0.000 1.158 262 I CB 1.687 39.592 38.000 -0.158 0.000 1.315 262 I HN 0.189 nan 8.210 nan 0.000 0.451 263 V N 6.797 126.729 119.914 0.031 0.000 2.334 263 V HA 0.389 4.510 4.120 0.001 0.000 0.281 263 V C -0.161 175.938 176.094 0.009 0.000 1.016 263 V CA -0.478 61.840 62.300 0.029 0.000 0.832 263 V CB 0.873 32.550 31.823 -0.244 0.000 0.999 263 V HN 0.399 nan 8.190 nan 0.000 0.439 264 F N 2.741 122.849 119.950 0.264 0.000 2.370 264 F HA 0.295 4.823 4.527 0.001 0.000 0.319 264 F C 1.717 177.585 175.800 0.114 0.000 1.129 264 F CA -0.468 57.663 58.000 0.218 0.000 1.109 264 F CB 0.814 39.961 39.000 0.245 0.000 1.262 264 F HN 0.683 nan 8.300 nan 0.000 0.534 265 D N -0.264 120.299 120.400 0.272 0.000 2.190 265 D HA -0.237 4.404 4.640 0.001 0.000 0.200 265 D C 0.951 177.352 176.300 0.168 0.000 0.992 265 D CA 1.660 55.754 54.000 0.156 0.000 0.854 265 D CB -0.771 40.096 40.800 0.111 0.000 0.936 265 D HN 0.600 nan 8.370 nan 0.000 0.462 266 D N 0.073 120.598 120.400 0.209 0.000 2.342 266 D HA 0.204 4.845 4.640 0.001 0.000 0.221 266 D C 0.475 176.886 176.300 0.184 0.000 1.101 266 D CA -0.287 53.810 54.000 0.161 0.000 0.837 266 D CB -0.395 40.478 40.800 0.123 0.000 0.938 266 D HN 0.290 nan 8.370 nan 0.000 0.508 267 A N 0.625 123.588 122.820 0.239 0.000 2.425 267 A HA 0.143 4.463 4.320 0.001 0.000 0.242 267 A C 0.257 177.966 177.584 0.208 0.000 1.077 267 A CA -0.345 51.851 52.037 0.265 0.000 0.781 267 A CB 0.292 19.488 19.000 0.327 0.000 1.020 267 A HN 0.113 nan 8.150 nan 0.000 0.494 268 D N 1.960 122.494 120.400 0.222 0.000 2.344 268 D HA 0.125 4.766 4.640 0.001 0.000 0.253 268 D C 1.059 177.461 176.300 0.170 0.000 1.255 268 D CA 0.086 54.192 54.000 0.177 0.000 0.894 268 D CB 0.284 41.187 40.800 0.172 0.000 1.067 268 D HN 0.466 nan 8.370 nan 0.000 0.492 269 L N 2.995 124.305 121.223 0.144 0.000 2.046 269 L HA -0.166 4.175 4.340 0.001 0.000 0.208 269 L C 1.666 178.595 176.870 0.098 0.000 1.077 269 L CA 0.887 55.822 54.840 0.158 0.000 0.747 269 L CB -0.121 42.031 42.059 0.155 0.000 0.896 269 L HN 0.367 nan 8.230 nan 0.000 0.432 270 D N 0.176 120.613 120.400 0.062 0.000 2.144 270 D HA -0.163 4.478 4.640 0.001 0.000 0.199 270 D C 2.183 178.502 176.300 0.030 0.000 0.984 270 D CA 1.171 55.184 54.000 0.022 0.000 0.834 270 D CB 0.024 40.838 40.800 0.024 0.000 0.955 270 D HN 0.287 nan 8.370 nan 0.000 0.465 271 K N 0.539 120.985 120.400 0.078 0.000 2.062 271 K HA 0.020 4.340 4.320 0.001 0.000 0.205 271 K C 2.154 178.749 176.600 -0.009 0.000 1.051 271 K CA 0.870 57.234 56.287 0.128 0.000 0.941 271 K CB -0.006 32.644 32.500 0.250 0.000 0.719 271 K HN -0.009 nan 8.250 nan 0.000 0.440 272 A N 1.101 123.782 122.820 -0.232 0.000 1.908 272 A HA -0.149 4.172 4.320 0.001 0.000 0.218 272 A C 2.355 179.915 177.584 -0.041 0.000 1.181 272 A CA 1.551 53.219 52.037 -0.615 0.000 0.627 272 A CB -0.739 18.141 19.000 -0.201 0.000 0.818 272 A HN 0.070 nan 8.150 nan 0.000 0.445 273 V N -0.287 119.632 119.914 0.009 0.000 2.295 273 V HA -0.231 3.889 4.120 0.001 0.000 0.246 273 V C 2.712 178.745 176.094 -0.102 0.000 1.049 273 V CA 2.253 64.456 62.300 -0.163 0.000 1.024 273 V CB -0.983 30.656 31.823 -0.307 0.000 0.648 273 V HN 0.664 nan 8.190 nan 0.000 0.447 274 E N 0.075 120.250 120.200 -0.041 0.000 2.058 274 E HA -0.198 4.152 4.350 0.001 0.000 0.194 274 E C 2.320 178.945 176.600 0.042 0.000 0.997 274 E CA 1.112 57.515 56.400 0.004 0.000 0.801 274 E CB -1.252 28.471 29.700 0.038 0.000 0.746 274 E HN 0.813 nan 8.360 nan 0.000 0.450 275 G N 0.453 109.319 108.800 0.110 0.000 2.440 275 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 275 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 275 G C 1.756 176.706 174.900 0.084 0.000 1.154 275 G CA 1.161 46.412 45.100 0.251 0.000 0.767 275 G HN 0.593 nan 8.290 nan 0.000 0.552 276 A N 0.306 123.022 122.820 -0.174 0.000 1.877 276 A HA 0.075 4.395 4.320 0.001 0.000 0.216 276 A C 2.381 179.781 177.584 -0.306 0.000 1.186 276 A CA 1.595 53.214 52.037 -0.697 0.000 0.620 276 A CB -0.501 18.133 19.000 -0.609 0.000 0.822 276 A HN 0.357 nan 8.150 nan 0.000 0.443 277 L N -0.324 120.846 121.223 -0.088 0.000 2.012 277 L HA -0.143 4.198 4.340 0.001 0.000 0.210 277 L C 2.829 179.759 176.870 0.100 0.000 1.073 277 L CA 2.133 57.036 54.840 0.106 0.000 0.748 277 L CB -0.560 41.525 42.059 0.043 0.000 0.891 277 L HN 0.373 nan 8.230 nan 0.000 0.431 278 A N -2.270 120.563 122.820 0.022 0.000 1.930 278 A HA -0.196 4.125 4.320 0.001 0.000 0.217 278 A C 2.518 180.085 177.584 -0.028 0.000 1.175 278 A CA 1.868 53.919 52.037 0.023 0.000 0.627 278 A CB -0.864 18.157 19.000 0.036 0.000 0.815 278 A HN 0.473 nan 8.150 nan 0.000 0.443 279 S N -0.846 114.784 115.700 -0.116 0.000 2.377 279 S HA -0.110 4.361 4.470 0.001 0.000 0.223 279 S C 2.100 176.560 174.600 -0.234 0.000 1.030 279 S CA 1.789 59.868 58.200 -0.203 0.000 0.970 279 S CB -0.180 62.787 63.200 -0.388 0.000 0.830 279 S HN 0.527 nan 8.310 nan 0.000 0.473 280 K N 0.184 120.373 120.400 -0.352 0.000 2.076 280 K HA 0.153 4.474 4.320 0.001 0.000 0.204 280 K C 1.011 177.258 176.600 -0.589 0.000 1.051 280 K CA 1.493 57.437 56.287 -0.572 0.000 0.949 280 K CB -0.426 31.528 32.500 -0.910 0.000 0.726 280 K HN 0.421 nan 8.250 nan 0.000 0.443 281 F N 0.957 120.859 119.950 -0.081 0.000 2.695 281 F HA 0.324 4.852 4.527 0.001 0.000 0.303 281 F C 0.517 176.288 175.800 -0.047 0.000 1.091 281 F CA -0.457 57.510 58.000 -0.055 0.000 1.300 281 F CB -0.001 38.971 39.000 -0.046 0.000 1.071 281 F HN -0.111 nan 8.300 nan 0.000 0.578 282 R N 1.717 122.253 120.500 0.060 0.000 2.522 282 R HA -0.072 4.269 4.340 0.001 0.000 0.284 282 R C 0.651 176.946 176.300 -0.008 0.000 1.032 282 R CA 0.283 56.405 56.100 0.038 0.000 1.049 282 R CB -0.015 30.308 30.300 0.039 0.000 0.956 282 R HN 0.184 nan 8.270 nan 0.000 0.422 283 N N 2.756 121.438 118.700 -0.031 0.000 2.721 283 N HA -0.284 4.456 4.740 0.001 0.000 0.249 283 N C -0.290 175.175 175.510 -0.075 0.000 1.072 283 N CA 1.359 54.344 53.050 -0.108 0.000 0.710 283 N CB -1.069 37.262 38.487 -0.260 0.000 0.993 283 N HN 0.922 nan 8.380 nan 0.000 0.547 284 A N -1.904 120.917 122.820 0.002 0.000 2.799 284 A HA 0.040 4.361 4.320 0.001 0.000 0.287 284 A C 2.035 179.616 177.584 -0.005 0.000 1.484 284 A CA 1.847 53.916 52.037 0.053 0.000 0.813 284 A CB -1.887 17.133 19.000 0.033 0.000 1.009 284 A HN 2.159 nan 8.150 nan 0.000 0.545 285 G N -2.337 106.410 108.800 -0.088 0.000 2.148 285 G HA2 -0.281 3.679 3.960 0.001 0.000 0.254 285 G HA3 -0.281 3.679 3.960 0.001 0.000 0.254 285 G C 0.066 174.744 174.900 -0.369 0.000 0.981 285 G CA 0.794 45.771 45.100 -0.205 0.000 0.670 285 G HN 1.414 nan 8.290 nan 0.000 0.528 286 Q N 0.807 120.357 119.800 -0.416 0.000 3.135 286 Q HA 0.420 4.760 4.340 0.001 0.000 0.344 286 Q C -0.135 175.277 176.000 -0.980 0.000 1.321 286 Q CA 0.187 55.483 55.803 -0.845 0.000 1.050 286 Q CB 0.564 29.188 28.738 -0.190 0.000 1.498 286 Q HN 0.278 nan 8.270 nan 0.000 0.503 287 T N -0.742 113.279 114.554 -0.889 0.000 2.909 287 T HA 0.104 4.454 4.350 0.001 0.000 0.299 287 T C 0.904 175.530 174.700 -0.122 0.000 1.073 287 T CA -0.714 61.247 62.100 -0.231 0.000 0.999 287 T CB 1.169 70.064 68.868 0.046 0.000 1.098 287 T HN 0.625 nan 8.240 nan 0.000 0.477 288 C N 1.342 120.730 119.300 0.148 0.000 2.472 288 C HA 0.143 4.603 4.460 0.001 0.000 0.278 288 C C 1.852 176.922 174.990 0.133 0.000 1.447 288 C CA 0.564 59.707 59.018 0.208 0.000 1.773 288 C CB -1.832 25.993 27.740 0.142 0.000 1.793 288 C HN 0.711 nan 8.230 nan 0.000 0.544 289 V N -2.925 117.062 119.914 0.122 0.000 3.427 289 V HA 0.343 4.463 4.120 0.001 0.000 0.305 289 V C 0.859 177.098 176.094 0.243 0.000 1.412 289 V CA -0.597 61.812 62.300 0.183 0.000 1.086 289 V CB -1.968 29.978 31.823 0.205 0.000 0.964 289 V HN 0.522 nan 8.190 nan 0.000 0.439 290 C N 3.183 122.547 119.300 0.108 0.000 2.611 290 C HA 0.552 5.013 4.460 0.001 0.000 0.416 290 C C 1.555 176.593 174.990 0.081 0.000 1.366 290 C CA 0.320 59.353 59.018 0.026 0.000 1.761 290 C CB -0.299 27.379 27.740 -0.104 0.000 2.619 290 C HN 0.811 nan 8.230 nan 0.000 0.606 291 A N 3.744 126.569 122.820 0.008 0.000 2.566 291 A HA 0.037 4.357 4.320 0.001 0.000 0.245 291 A C 0.908 178.497 177.584 0.009 0.000 1.056 291 A CA 0.399 52.472 52.037 0.061 0.000 0.757 291 A CB -0.125 18.809 19.000 -0.110 0.000 0.979 291 A HN 1.004 nan 8.150 nan 0.000 0.508 292 N N 1.009 119.765 118.700 0.093 0.000 2.332 292 N HA 0.109 4.849 4.740 0.001 0.000 0.190 292 N C 0.081 175.657 175.510 0.110 0.000 1.117 292 N CA 0.227 53.328 53.050 0.085 0.000 0.883 292 N CB 0.374 38.931 38.487 0.118 0.000 1.089 292 N HN 0.693 nan 8.380 nan 0.000 0.480 293 R N 0.487 121.057 120.500 0.117 0.000 2.514 293 R HA 0.377 4.718 4.340 0.001 0.000 0.296 293 R C -1.656 174.674 176.300 0.050 0.000 1.012 293 R CA -0.736 55.397 56.100 0.055 0.000 0.897 293 R CB 1.741 31.934 30.300 -0.177 0.000 1.184 293 R HN -0.014 nan 8.270 nan 0.000 0.440 294 L N 4.501 125.779 121.223 0.093 0.000 2.283 294 L HA 0.362 4.702 4.340 0.001 0.000 0.281 294 L C -0.984 175.946 176.870 0.099 0.000 1.033 294 L CA -0.262 54.660 54.840 0.136 0.000 0.848 294 L CB 0.318 42.444 42.059 0.111 0.000 1.226 294 L HN 0.476 nan 8.230 nan 0.000 0.429 295 Y N 2.823 123.270 120.300 0.246 0.000 2.367 295 Y HA 0.557 5.107 4.550 0.001 0.000 0.342 295 Y C 0.104 176.183 175.900 0.299 0.000 0.979 295 Y CA -0.702 57.563 58.100 0.275 0.000 1.161 295 Y CB 1.209 39.666 38.460 -0.005 0.000 1.155 295 Y HN 0.195 nan 8.280 nan 0.000 0.503 296 V N 3.865 124.042 119.914 0.440 0.000 2.540 296 V HA 0.283 4.403 4.120 0.001 0.000 0.302 296 V C -0.225 175.829 176.094 -0.067 0.000 1.035 296 V CA -1.333 61.039 62.300 0.119 0.000 0.873 296 V CB 1.670 33.425 31.823 -0.113 0.000 0.992 296 V HN 0.679 nan 8.190 nan 0.000 0.428 297 Q N 1.695 121.205 119.800 -0.484 0.000 2.392 297 Q HA 0.048 4.388 4.340 0.001 0.000 0.262 297 Q C 1.157 176.968 176.000 -0.314 0.000 1.003 297 Q CA 0.634 55.902 55.803 -0.892 0.000 0.888 297 Q CB 1.022 29.334 28.738 -0.710 0.000 1.260 297 Q HN 0.812 nan 8.270 nan 0.000 0.435 298 D N 2.075 122.297 120.400 -0.297 0.000 2.157 298 D HA -0.226 4.415 4.640 0.001 0.000 0.191 298 D C 1.523 177.811 176.300 -0.020 0.000 1.004 298 D CA 1.473 55.404 54.000 -0.114 0.000 0.854 298 D CB -0.595 40.139 40.800 -0.109 0.000 0.936 298 D HN 0.892 nan 8.370 nan 0.000 0.446 299 G N -0.199 108.583 108.800 -0.031 0.000 2.448 299 G HA2 -0.144 3.816 3.960 0.001 0.000 0.219 299 G HA3 -0.144 3.816 3.960 0.001 0.000 0.219 299 G C 1.507 176.439 174.900 0.053 0.000 1.127 299 G CA 1.347 46.457 45.100 0.017 0.000 0.766 299 G HN 0.661 nan 8.290 nan 0.000 0.552 300 V N -3.861 116.090 119.914 0.062 0.000 3.432 300 V HA 0.377 4.498 4.120 0.001 0.000 0.298 300 V C 1.740 177.920 176.094 0.143 0.000 1.464 300 V CA -0.171 62.187 62.300 0.097 0.000 1.046 300 V CB -0.729 31.149 31.823 0.092 0.000 0.887 300 V HN 0.200 nan 8.190 nan 0.000 0.441 301 Y N 2.545 122.858 120.300 0.022 0.000 2.081 301 Y HA -0.246 4.305 4.550 0.001 0.000 0.280 301 Y C 2.237 178.204 175.900 0.113 0.000 1.163 301 Y CA 2.667 60.801 58.100 0.057 0.000 1.135 301 Y CB -0.102 38.367 38.460 0.015 0.000 0.970 301 Y HN 0.305 nan 8.280 nan 0.000 0.498 302 D N -0.367 120.179 120.400 0.243 0.000 2.097 302 D HA -0.158 4.482 4.640 0.001 0.000 0.195 302 D C 2.315 178.644 176.300 0.049 0.000 0.989 302 D CA 1.433 55.518 54.000 0.141 0.000 0.827 302 D CB -0.340 40.550 40.800 0.150 0.000 0.966 302 D HN 0.410 nan 8.370 nan 0.000 0.456 303 R N -0.386 120.157 120.500 0.072 0.000 2.081 303 R HA -0.103 4.237 4.340 0.001 0.000 0.235 303 R C 2.342 178.665 176.300 0.038 0.000 1.131 303 R CA 0.682 56.812 56.100 0.050 0.000 0.960 303 R CB -0.480 29.861 30.300 0.068 0.000 0.856 303 R HN 0.192 nan 8.270 nan 0.000 0.436 304 F N 1.371 121.273 119.950 -0.080 0.000 2.102 304 F HA -0.173 4.354 4.527 0.001 0.000 0.298 304 F C 2.305 178.013 175.800 -0.153 0.000 1.105 304 F CA 1.453 59.390 58.000 -0.105 0.000 1.239 304 F CB -0.301 38.637 39.000 -0.102 0.000 0.991 304 F HN -0.016 nan 8.300 nan 0.000 0.474 305 A N -0.175 122.595 122.820 -0.083 0.000 1.908 305 A HA -0.220 4.101 4.320 0.001 0.000 0.218 305 A C 2.053 179.528 177.584 -0.182 0.000 1.181 305 A CA 1.978 53.904 52.037 -0.185 0.000 0.627 305 A CB -1.333 17.516 19.000 -0.251 0.000 0.818 305 A HN 0.413 nan 8.150 nan 0.000 0.445 306 E N -0.165 119.956 120.200 -0.131 0.000 2.051 306 E HA -0.175 4.175 4.350 0.001 0.000 0.192 306 E C 2.150 178.660 176.600 -0.151 0.000 0.991 306 E CA 1.788 58.123 56.400 -0.108 0.000 0.799 306 E CB -0.362 29.301 29.700 -0.061 0.000 0.748 306 E HN 0.767 nan 8.360 nan 0.000 0.449 307 K N -0.371 119.909 120.400 -0.201 0.000 2.057 307 K HA -0.044 4.277 4.320 0.001 0.000 0.206 307 K C 2.293 178.708 176.600 -0.308 0.000 1.050 307 K CA 1.246 57.394 56.287 -0.231 0.000 0.935 307 K CB -0.358 32.002 32.500 -0.234 0.000 0.715 307 K HN 0.166 nan 8.250 nan 0.000 0.439 308 L N 1.778 122.719 121.223 -0.471 0.000 2.046 308 L HA -0.210 4.130 4.340 0.001 0.000 0.208 308 L C 2.353 179.080 176.870 -0.238 0.000 1.077 308 L CA 1.747 56.327 54.840 -0.434 0.000 0.747 308 L CB -0.403 41.324 42.059 -0.553 0.000 0.896 308 L HN 0.197 nan 8.230 nan 0.000 0.432 309 Q N -1.265 118.418 119.800 -0.195 0.000 2.119 309 Q HA -0.236 4.105 4.340 0.001 0.000 0.201 309 Q C 2.213 178.139 176.000 -0.124 0.000 0.972 309 Q CA 1.647 57.371 55.803 -0.132 0.000 0.847 309 Q CB -0.017 28.661 28.738 -0.101 0.000 0.903 309 Q HN 0.654 nan 8.270 nan 0.000 0.433 310 Q N -0.433 119.290 119.800 -0.127 0.000 2.061 310 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 310 Q C 2.009 177.940 176.000 -0.116 0.000 0.984 310 Q CA 1.530 57.268 55.803 -0.109 0.000 0.846 310 Q CB -0.184 28.494 28.738 -0.100 0.000 0.902 310 Q HN 0.429 nan 8.270 nan 0.000 0.421 311 A N 0.427 123.164 122.820 -0.138 0.000 1.969 311 A HA -0.124 4.197 4.320 0.001 0.000 0.218 311 A C 1.930 179.426 177.584 -0.148 0.000 1.169 311 A CA 1.068 53.026 52.037 -0.132 0.000 0.635 311 A CB -0.390 18.523 19.000 -0.144 0.000 0.810 311 A HN 0.310 nan 8.150 nan 0.000 0.445 312 M N -0.176 119.320 119.600 -0.173 0.000 2.557 312 M HA -0.061 4.420 4.480 0.001 0.000 0.259 312 M C 1.821 178.009 176.300 -0.187 0.000 1.086 312 M CA 0.746 55.905 55.300 -0.234 0.000 1.096 312 M CB -0.115 32.335 32.600 -0.250 0.000 1.424 312 M HN 0.377 nan 8.290 nan 0.000 0.488 313 S N 0.605 116.224 115.700 -0.135 0.000 2.447 313 S HA -0.055 4.415 4.470 0.001 0.000 0.233 313 S C 1.520 176.062 174.600 -0.098 0.000 1.006 313 S CA 0.884 59.021 58.200 -0.105 0.000 0.957 313 S CB -0.109 63.038 63.200 -0.088 0.000 0.773 313 S HN 0.498 nan 8.310 nan 0.000 0.507 314 K N 0.550 120.889 120.400 -0.103 0.000 2.525 314 K HA 0.076 4.397 4.320 0.001 0.000 0.192 314 K C -0.500 176.059 176.600 -0.068 0.000 1.029 314 K CA 0.205 56.443 56.287 -0.082 0.000 1.029 314 K CB -0.132 32.325 32.500 -0.072 0.000 0.814 314 K HN 0.182 nan 8.250 nan 0.000 0.503 315 L N 1.699 122.864 121.223 -0.096 0.000 2.319 315 L HA 0.135 4.475 4.340 0.001 0.000 0.280 315 L C -0.079 176.806 176.870 0.025 0.000 1.099 315 L CA 0.052 54.845 54.840 -0.078 0.000 0.828 315 L CB 0.307 42.239 42.059 -0.212 0.000 1.150 315 L HN 0.136 nan 8.230 nan 0.000 0.442 316 H N 4.056 123.087 119.070 -0.065 0.000 2.638 316 H HA 0.434 4.991 4.556 0.001 0.000 0.317 316 H C -0.743 174.563 175.328 -0.036 0.000 1.006 316 H CA -1.012 55.008 56.048 -0.045 0.000 1.222 316 H CB 1.090 30.830 29.762 -0.037 0.000 1.419 316 H HN 0.434 nan 8.280 nan 0.000 0.489 317 I N 4.501 125.023 120.570 -0.081 0.000 2.428 317 I HA 0.396 4.566 4.170 0.001 0.000 0.289 317 I C 0.958 176.866 176.117 -0.347 0.000 1.019 317 I CA 0.706 61.900 61.300 -0.177 0.000 1.351 317 I CB 1.519 39.396 38.000 -0.206 0.000 1.412 317 I HN 0.839 nan 8.210 nan 0.000 0.513 318 G N 4.000 112.666 108.800 -0.223 0.000 2.323 318 G HA2 0.070 4.030 3.960 0.001 0.000 0.291 318 G HA3 0.070 4.030 3.960 0.001 0.000 0.291 318 G C -1.681 173.254 174.900 0.057 0.000 1.278 318 G CA -0.864 44.081 45.100 -0.258 0.000 0.860 318 G HN 0.491 nan 8.290 nan 0.000 0.504 319 D N 0.524 120.928 120.400 0.007 0.000 2.450 319 D HA 0.288 4.929 4.640 0.001 0.000 0.247 319 D C 1.724 178.041 176.300 0.028 0.000 1.162 319 D CA 0.867 54.921 54.000 0.089 0.000 0.879 319 D CB 1.154 41.976 40.800 0.036 0.000 1.163 319 D HN 0.674 nan 8.370 nan 0.000 0.472 320 G N 3.541 112.365 108.800 0.040 0.000 2.535 320 G HA2 -0.168 3.792 3.960 0.001 0.000 0.218 320 G HA3 -0.168 3.792 3.960 0.001 0.000 0.218 320 G C 1.578 176.481 174.900 0.004 0.000 1.122 320 G CA 0.193 45.300 45.100 0.011 0.000 0.769 320 G HN 0.592 nan 8.290 nan 0.000 0.549 321 L N 0.001 121.226 121.223 0.004 0.000 2.509 321 L HA 0.176 4.517 4.340 0.001 0.000 0.222 321 L C 0.171 177.039 176.870 -0.003 0.000 1.123 321 L CA -0.152 54.688 54.840 0.000 0.000 0.856 321 L CB -0.007 42.051 42.059 -0.002 0.000 0.985 321 L HN 0.018 nan 8.230 nan 0.000 0.456 322 D N -0.187 120.206 120.400 -0.012 0.000 2.264 322 D HA 0.021 4.662 4.640 0.001 0.000 0.249 322 D C 0.109 176.411 176.300 0.004 0.000 1.070 322 D CA -0.115 53.878 54.000 -0.012 0.000 0.912 322 D CB 0.728 41.508 40.800 -0.034 0.000 1.193 322 D HN -0.106 nan 8.370 nan 0.000 0.427 323 N N -0.000 118.715 118.700 0.026 0.000 2.411 323 N HA 0.335 5.076 4.740 0.001 0.000 0.261 323 N C 1.454 177.024 175.510 0.101 0.000 1.248 323 N CA 0.431 53.509 53.050 0.047 0.000 0.885 323 N CB 0.785 39.296 38.487 0.040 0.000 1.062 323 N HN 0.706 nan 8.380 nan 0.000 0.471 324 G N -0.097 108.762 108.800 0.098 0.000 2.184 324 G HA2 -0.286 3.675 3.960 0.001 0.000 0.264 324 G HA3 -0.286 3.675 3.960 0.001 0.000 0.264 324 G C 0.218 175.272 174.900 0.258 0.000 0.975 324 G CA 0.201 45.402 45.100 0.168 0.000 0.642 324 G HN 0.751 nan 8.290 nan 0.000 0.536 325 V N 1.739 121.697 119.914 0.073 0.000 2.521 325 V HA 0.434 4.554 4.120 0.001 0.000 0.286 325 V C 1.630 177.722 176.094 -0.004 0.000 1.034 325 V CA 1.437 63.680 62.300 -0.096 0.000 1.045 325 V CB 1.252 32.974 31.823 -0.169 0.000 0.974 325 V HN 0.746 nan 8.190 nan 0.000 0.480 326 T N 1.679 116.239 114.554 0.009 0.000 3.004 326 T HA 0.380 4.731 4.350 0.001 0.000 0.266 326 T C 0.156 174.865 174.700 0.015 0.000 0.986 326 T CA -0.054 62.059 62.100 0.022 0.000 0.902 326 T CB 0.383 69.271 68.868 0.033 0.000 1.118 326 T HN 0.256 nan 8.240 nan 0.000 0.522 327 I N 2.396 122.967 120.570 0.001 0.000 2.439 327 I HA 0.587 4.758 4.170 0.001 0.000 0.285 327 I C 0.784 176.920 176.117 0.031 0.000 1.021 327 I CA -0.819 60.494 61.300 0.022 0.000 1.091 327 I CB 1.117 39.134 38.000 0.029 0.000 1.242 327 I HN 0.242 nan 8.210 nan 0.000 0.439 328 G N 7.550 116.363 108.800 0.021 0.000 2.531 328 G HA2 0.635 4.596 3.960 0.001 0.000 0.281 328 G HA3 0.635 4.596 3.960 0.001 0.000 0.281 328 G C -2.692 172.139 174.900 -0.115 0.000 1.382 328 G CA -0.916 44.191 45.100 0.012 0.000 1.045 328 G HN 0.363 nan 8.290 nan 0.000 0.533 329 P HA 0.267 nan 4.420 nan 0.000 0.276 329 P C 0.144 177.233 177.300 -0.352 0.000 1.244 329 P CA -0.429 62.196 63.100 -0.792 0.000 0.801 329 P CB 1.163 32.112 31.700 -1.251 0.000 1.006 330 L N 1.450 122.512 121.223 -0.268 0.000 2.470 330 L HA 0.082 4.422 4.340 0.001 0.000 0.243 330 L C 2.192 178.913 176.870 -0.248 0.000 1.227 330 L CA -0.394 54.343 54.840 -0.172 0.000 0.824 330 L CB -0.240 41.751 42.059 -0.113 0.000 1.175 330 L HN 0.278 nan 8.230 nan 0.000 0.503 331 I N -0.437 119.942 120.570 -0.318 0.000 2.439 331 I HA -0.109 4.062 4.170 0.001 0.000 0.251 331 I C 0.331 176.215 176.117 -0.389 0.000 1.139 331 I CA 1.310 62.317 61.300 -0.488 0.000 1.438 331 I CB -0.233 37.086 38.000 -1.136 0.000 1.085 331 I HN 0.861 nan 8.210 nan 0.000 0.427 332 D N -2.546 117.665 120.400 -0.314 0.000 2.779 332 D HA 0.266 4.907 4.640 0.001 0.000 0.331 332 D C 0.699 176.911 176.300 -0.147 0.000 1.331 332 D CA 0.204 54.073 54.000 -0.218 0.000 0.866 332 D CB 0.153 40.817 40.800 -0.227 0.000 1.409 332 D HN -0.185 nan 8.370 nan 0.000 0.486 333 E N 0.014 120.155 120.200 -0.098 0.000 2.204 333 E HA -0.145 4.206 4.350 0.001 0.000 0.194 333 E C 1.530 178.096 176.600 -0.056 0.000 0.989 333 E CA 1.548 57.916 56.400 -0.054 0.000 0.824 333 E CB -0.728 28.954 29.700 -0.029 0.000 0.756 333 E HN 0.480 nan 8.360 nan 0.000 0.477 334 K N -0.359 119.995 120.400 -0.076 0.000 2.097 334 K HA 0.125 4.446 4.320 0.001 0.000 0.205 334 K C 2.637 179.192 176.600 -0.074 0.000 1.050 334 K CA 0.816 57.064 56.287 -0.066 0.000 0.938 334 K CB -0.080 32.381 32.500 -0.065 0.000 0.718 334 K HN 0.349 nan 8.250 nan 0.000 0.442 335 A N 1.193 123.956 122.820 -0.094 0.000 1.898 335 A HA -0.108 4.213 4.320 0.001 0.000 0.216 335 A C 2.383 179.895 177.584 -0.120 0.000 1.181 335 A CA 1.256 53.245 52.037 -0.080 0.000 0.620 335 A CB -0.629 18.321 19.000 -0.083 0.000 0.819 335 A HN 0.046 nan 8.150 nan 0.000 0.442 336 V N -0.004 119.846 119.914 -0.108 0.000 2.295 336 V HA -0.272 3.848 4.120 0.001 0.000 0.246 336 V C 3.076 179.095 176.094 -0.126 0.000 1.049 336 V CA 2.004 64.238 62.300 -0.110 0.000 1.024 336 V CB -1.313 30.532 31.823 0.035 0.000 0.648 336 V HN 0.616 nan 8.190 nan 0.000 0.447 337 A N -0.286 122.496 122.820 -0.064 0.000 1.908 337 A HA -0.308 4.013 4.320 0.001 0.000 0.218 337 A C 2.334 179.863 177.584 -0.091 0.000 1.181 337 A CA 2.379 54.390 52.037 -0.043 0.000 0.627 337 A CB -0.529 18.458 19.000 -0.023 0.000 0.818 337 A HN 0.542 nan 8.150 nan 0.000 0.445 338 K N -0.442 119.873 120.400 -0.141 0.000 2.097 338 K HA -0.077 4.243 4.320 0.001 0.000 0.206 338 K C 1.752 178.151 176.600 -0.336 0.000 1.049 338 K CA 1.478 57.627 56.287 -0.230 0.000 0.933 338 K CB -0.210 32.150 32.500 -0.233 0.000 0.717 338 K HN 0.258 nan 8.250 nan 0.000 0.442 339 V N 1.543 121.261 119.914 -0.327 0.000 2.358 339 V HA -0.205 3.915 4.120 0.001 0.000 0.246 339 V C 1.945 177.903 176.094 -0.226 0.000 1.047 339 V CA 1.852 63.926 62.300 -0.377 0.000 1.035 339 V CB -0.421 30.949 31.823 -0.755 0.000 0.658 339 V HN 0.373 nan 8.190 nan 0.000 0.452 340 E N -0.159 119.939 120.200 -0.170 0.000 2.110 340 E HA -0.257 4.094 4.350 0.001 0.000 0.193 340 E C 2.285 178.931 176.600 0.077 0.000 0.988 340 E CA 1.269 57.709 56.400 0.067 0.000 0.804 340 E CB -0.114 29.669 29.700 0.137 0.000 0.745 340 E HN 0.647 nan 8.360 nan 0.000 0.458 341 E N 0.394 120.614 120.200 0.034 0.000 2.077 341 E HA -0.200 4.151 4.350 0.001 0.000 0.193 341 E C 1.872 178.583 176.600 0.185 0.000 0.989 341 E CA 0.968 57.418 56.400 0.083 0.000 0.800 341 E CB -0.005 29.726 29.700 0.052 0.000 0.746 341 E HN 0.482 nan 8.360 nan 0.000 0.452 342 H N -0.342 118.747 119.070 0.032 0.000 2.389 342 H HA -0.062 4.495 4.556 0.001 0.000 0.299 342 H C 2.292 177.653 175.328 0.054 0.000 1.081 342 H CA 0.910 56.985 56.048 0.045 0.000 1.345 342 H CB 0.198 29.984 29.762 0.040 0.000 1.393 342 H HN 0.193 nan 8.280 nan 0.000 0.520 343 I N 0.499 121.183 120.570 0.189 0.000 2.252 343 I HA -0.214 3.956 4.170 0.001 0.000 0.245 343 I C 2.776 178.961 176.117 0.113 0.000 1.102 343 I CA 0.750 62.138 61.300 0.146 0.000 1.385 343 I CB -0.160 37.949 38.000 0.181 0.000 1.064 343 I HN 0.248 nan 8.210 nan 0.000 0.414 344 A N 0.151 123.039 122.820 0.114 0.000 1.877 344 A HA -0.279 4.042 4.320 0.001 0.000 0.216 344 A C 2.088 179.717 177.584 0.075 0.000 1.186 344 A CA 2.240 54.330 52.037 0.088 0.000 0.620 344 A CB -1.084 17.968 19.000 0.086 0.000 0.822 344 A HN 0.392 nan 8.150 nan 0.000 0.443 345 D N -1.124 119.327 120.400 0.084 0.000 2.144 345 D HA 0.010 4.651 4.640 0.001 0.000 0.199 345 D C 2.290 178.618 176.300 0.046 0.000 0.984 345 D CA 1.422 55.461 54.000 0.065 0.000 0.834 345 D CB -0.304 40.539 40.800 0.072 0.000 0.955 345 D HN 0.599 nan 8.370 nan 0.000 0.465 346 A N -0.224 122.624 122.820 0.046 0.000 1.898 346 A HA 0.028 4.348 4.320 0.001 0.000 0.216 346 A C 2.087 179.683 177.584 0.021 0.000 1.181 346 A CA 1.084 53.135 52.037 0.023 0.000 0.620 346 A CB -0.497 18.514 19.000 0.018 0.000 0.819 346 A HN 0.434 nan 8.150 nan 0.000 0.442 347 L N -0.500 120.744 121.223 0.034 0.000 2.072 347 L HA -0.069 4.272 4.340 0.001 0.000 0.205 347 L C 2.621 179.508 176.870 0.028 0.000 1.079 347 L CA 1.919 56.777 54.840 0.030 0.000 0.752 347 L CB -1.224 40.858 42.059 0.039 0.000 0.906 347 L HN 0.477 nan 8.230 nan 0.000 0.436 348 E N -0.006 120.214 120.200 0.034 0.000 2.171 348 E HA -0.240 4.111 4.350 0.001 0.000 0.197 348 E C 1.850 178.466 176.600 0.026 0.000 0.997 348 E CA 1.344 57.762 56.400 0.031 0.000 0.810 348 E CB -0.181 29.540 29.700 0.036 0.000 0.738 348 E HN 0.529 nan 8.360 nan 0.000 0.467 349 K N -1.746 118.670 120.400 0.025 0.000 2.446 349 K HA 0.288 4.608 4.320 0.001 0.000 0.203 349 K C 1.048 177.656 176.600 0.015 0.000 1.027 349 K CA 0.464 56.764 56.287 0.022 0.000 1.166 349 K CB 0.723 33.240 32.500 0.027 0.000 0.869 349 K HN 0.337 nan 8.250 nan 0.000 0.504 350 G N 0.531 109.338 108.800 0.012 0.000 2.176 350 G HA2 -0.257 3.703 3.960 0.001 0.000 0.232 350 G HA3 -0.257 3.703 3.960 0.001 0.000 0.232 350 G C 0.247 175.146 174.900 -0.002 0.000 0.986 350 G CA -0.073 45.031 45.100 0.006 0.000 0.643 350 G HN 0.438 nan 8.290 nan 0.000 0.522 351 A N -0.308 122.507 122.820 -0.008 0.000 2.296 351 A HA 0.827 5.148 4.320 0.001 0.000 0.264 351 A C 0.615 178.198 177.584 -0.002 0.000 1.097 351 A CA 0.608 52.633 52.037 -0.020 0.000 0.811 351 A CB 0.561 19.536 19.000 -0.041 0.000 1.072 351 A HN 0.884 nan 8.150 nan 0.000 0.495 352 R N 0.388 120.887 120.500 -0.001 0.000 2.532 352 R HA 0.506 4.847 4.340 0.001 0.000 0.297 352 R C -1.847 174.464 176.300 0.018 0.000 0.984 352 R CA -0.546 55.561 56.100 0.012 0.000 0.884 352 R CB 1.691 31.999 30.300 0.014 0.000 1.182 352 R HN 0.506 nan 8.270 nan 0.000 0.442 353 V N 5.511 125.440 119.914 0.024 0.000 2.439 353 V HA 0.034 4.155 4.120 0.001 0.000 0.271 353 V C 1.163 177.269 176.094 0.020 0.000 1.040 353 V CA -0.013 62.304 62.300 0.030 0.000 1.002 353 V CB 1.237 33.082 31.823 0.036 0.000 1.000 353 V HN 0.733 nan 8.190 nan 0.000 0.477 354 V N 4.402 124.327 119.914 0.019 0.000 2.500 354 V HA -0.009 4.112 4.120 0.001 0.000 0.243 354 V C 0.836 176.929 176.094 -0.001 0.000 1.039 354 V CA 1.591 63.897 62.300 0.009 0.000 1.053 354 V CB 0.629 32.456 31.823 0.006 0.000 0.695 354 V HN 1.070 nan 8.190 nan 0.000 0.463 355 C N -2.937 116.366 119.300 0.005 0.000 3.311 355 C HA 0.818 5.278 4.460 0.001 0.000 0.325 355 C C 0.800 175.794 174.990 0.007 0.000 1.352 355 C CA -0.371 58.643 59.018 -0.007 0.000 1.308 355 C CB 0.999 28.723 27.740 -0.026 0.000 1.619 355 C HN 1.119 nan 8.230 nan 0.000 0.469 356 G N 0.931 109.722 108.800 -0.015 0.000 2.574 356 G HA2 0.324 4.285 3.960 0.001 0.000 0.286 356 G HA3 0.324 4.285 3.960 0.001 0.000 0.286 356 G C 1.178 176.063 174.900 -0.025 0.000 1.212 356 G CA 2.271 47.357 45.100 -0.024 0.000 0.979 356 G HN 3.248 nan 8.290 nan 0.000 0.557 357 G N -1.790 107.005 108.800 -0.009 0.000 2.229 357 G HA2 0.271 4.231 3.960 0.001 0.000 0.189 357 G HA3 0.271 4.231 3.960 0.001 0.000 0.189 357 G C 0.163 175.059 174.900 -0.006 0.000 1.000 357 G CA 1.415 46.542 45.100 0.045 0.000 0.663 357 G HN 1.950 nan 8.290 nan 0.000 0.493 358 K N -0.807 119.422 120.400 -0.285 0.000 2.499 358 K HA 0.816 5.137 4.320 0.001 0.000 0.284 358 K C 0.163 176.144 176.600 -1.033 0.000 1.039 358 K CA -0.359 55.668 56.287 -0.433 0.000 0.873 358 K CB 0.730 33.129 32.500 -0.169 0.000 1.545 358 K HN 1.168 nan 8.250 nan 0.000 0.402 359 A N 0.801 123.220 122.820 -0.668 0.000 2.429 359 A HA 0.090 4.411 4.320 0.001 0.000 0.242 359 A C -0.091 177.335 177.584 -0.264 0.000 1.088 359 A CA -0.021 51.729 52.037 -0.478 0.000 0.784 359 A CB -0.273 18.726 19.000 -0.002 0.000 1.038 359 A HN 0.686 nan 8.150 nan 0.000 0.501 360 H N 0.208 119.177 119.070 -0.168 0.000 2.511 360 H HA 0.399 4.956 4.556 0.001 0.000 0.346 360 H C 1.492 176.784 175.328 -0.059 0.000 1.128 360 H CA 0.634 56.625 56.048 -0.096 0.000 1.342 360 H CB 1.134 30.897 29.762 0.001 0.000 1.470 360 H HN 0.841 nan 8.280 nan 0.000 0.546 361 E N 4.512 124.409 120.200 -0.504 0.000 2.171 361 E HA -0.233 4.118 4.350 0.001 0.000 0.197 361 E C 2.125 178.672 176.600 -0.088 0.000 0.997 361 E CA 1.793 58.010 56.400 -0.304 0.000 0.810 361 E CB -0.530 28.932 29.700 -0.395 0.000 0.738 361 E HN 0.797 nan 8.360 nan 0.000 0.467 362 R N -1.097 119.473 120.500 0.117 0.000 2.152 362 R HA 0.197 4.538 4.340 0.001 0.000 0.232 362 R C 1.806 178.189 176.300 0.139 0.000 1.117 362 R CA 0.590 56.746 56.100 0.093 0.000 0.981 362 R CB -0.427 29.794 30.300 -0.133 0.000 0.870 362 R HN 0.649 nan 8.270 nan 0.000 0.451 363 G N -1.024 107.899 108.800 0.204 0.000 2.553 363 G HA2 -0.156 3.805 3.960 0.001 0.000 0.242 363 G HA3 -0.156 3.805 3.960 0.001 0.000 0.242 363 G C 0.566 175.624 174.900 0.263 0.000 1.277 363 G CA -0.331 44.879 45.100 0.184 0.000 0.910 363 G HN 0.679 nan 8.290 nan 0.000 0.576 364 G N -0.387 108.517 108.800 0.173 0.000 2.629 364 G HA2 -0.322 3.639 3.960 0.001 0.000 0.313 364 G HA3 -0.322 3.639 3.960 0.001 0.000 0.313 364 G C 0.858 175.811 174.900 0.090 0.000 1.217 364 G CA 1.196 46.376 45.100 0.133 0.000 0.994 364 G HN 1.825 nan 8.290 nan 0.000 0.549 365 N N 0.855 119.545 118.700 -0.016 0.000 2.268 365 N HA 0.249 4.989 4.740 0.001 0.000 0.204 365 N C -0.083 175.323 175.510 -0.174 0.000 1.124 365 N CA 0.209 53.174 53.050 -0.142 0.000 0.838 365 N CB 0.129 38.450 38.487 -0.277 0.000 0.994 365 N HN 0.311 nan 8.380 nan 0.000 0.489 366 F N 0.352 120.342 119.950 0.066 0.000 2.404 366 F HA 0.381 4.909 4.527 0.001 0.000 0.345 366 F C 0.103 176.014 175.800 0.185 0.000 1.110 366 F CA -0.674 57.355 58.000 0.047 0.000 1.130 366 F CB 0.766 39.721 39.000 -0.076 0.000 1.129 366 F HN -0.170 nan 8.300 nan 0.000 0.500 367 F N 1.872 121.932 119.950 0.185 0.000 2.588 367 F HA 0.380 4.908 4.527 0.001 0.000 0.310 367 F C -0.673 175.222 175.800 0.159 0.000 1.082 367 F CA -0.831 57.266 58.000 0.161 0.000 0.929 367 F CB 1.691 40.749 39.000 0.097 0.000 1.254 367 F HN 0.365 nan 8.300 nan 0.000 0.455 368 Q N 5.390 125.109 119.800 -0.134 0.000 2.296 368 Q HA 0.269 4.609 4.340 0.001 0.000 0.262 368 Q C -2.334 173.786 176.000 0.200 0.000 0.981 368 Q CA -1.760 54.048 55.803 0.010 0.000 0.905 368 Q CB 0.770 29.427 28.738 -0.135 0.000 1.186 368 Q HN 0.217 nan 8.270 nan 0.000 0.399 369 P HA -0.075 nan 4.420 nan 0.000 0.262 369 P C -1.060 176.331 177.300 0.153 0.000 1.182 369 P CA 0.546 63.739 63.100 0.155 0.000 0.761 369 P CB 0.623 32.171 31.700 -0.254 0.000 0.795 370 T N 4.098 118.823 114.554 0.283 0.000 2.876 370 T HA 0.586 4.937 4.350 0.001 0.000 0.289 370 T C -0.034 174.788 174.700 0.204 0.000 1.014 370 T CA -0.398 61.830 62.100 0.213 0.000 0.986 370 T CB 0.887 69.917 68.868 0.271 0.000 1.021 370 T HN 0.153 nan 8.240 nan 0.000 0.458 371 I N 3.035 123.678 120.570 0.121 0.000 2.378 371 I HA 0.432 4.602 4.170 0.001 0.000 0.291 371 I C -0.706 175.446 176.117 0.059 0.000 0.992 371 I CA -0.786 60.569 61.300 0.091 0.000 1.154 371 I CB 1.410 39.439 38.000 0.049 0.000 1.315 371 I HN 0.321 nan 8.210 nan 0.000 0.448 372 L N 7.069 128.316 121.223 0.040 0.000 2.325 372 L HA 0.683 5.023 4.340 0.001 0.000 0.278 372 L C -0.119 176.737 176.870 -0.023 0.000 1.023 372 L CA -0.790 54.053 54.840 0.005 0.000 0.811 372 L CB 1.876 43.927 42.059 -0.012 0.000 1.249 372 L HN 0.406 nan 8.230 nan 0.000 0.431 373 V N -2.146 117.761 119.914 -0.011 0.000 3.164 373 V HA 0.595 4.716 4.120 0.001 0.000 0.313 373 V C -0.705 175.371 176.094 -0.030 0.000 1.188 373 V CA -0.842 61.471 62.300 0.023 0.000 1.058 373 V CB 1.756 33.650 31.823 0.119 0.000 1.110 373 V HN 0.783 nan 8.190 nan 0.000 0.453 374 D N -0.268 120.121 120.400 -0.018 0.000 2.697 374 D HA -0.124 4.516 4.640 0.001 0.000 0.238 374 D C -0.269 175.959 176.300 -0.121 0.000 1.152 374 D CA 0.991 54.953 54.000 -0.063 0.000 0.666 374 D CB -1.236 39.547 40.800 -0.027 0.000 1.037 374 D HN 0.714 nan 8.370 nan 0.000 0.423 375 V N 1.280 121.035 119.914 -0.265 0.000 2.394 375 V HA 0.423 4.544 4.120 0.001 0.000 0.282 375 V C -1.328 174.640 176.094 -0.210 0.000 1.031 375 V CA -1.263 60.822 62.300 -0.359 0.000 0.881 375 V CB 1.584 32.952 31.823 -0.758 0.000 0.982 375 V HN 0.062 nan 8.190 nan 0.000 0.451 376 P HA 0.289 nan 4.420 nan 0.000 0.276 376 P C 0.393 177.851 177.300 0.263 0.000 1.244 376 P CA -0.465 62.704 63.100 0.114 0.000 0.801 376 P CB 1.587 33.329 31.700 0.070 0.000 1.006 377 A N 2.234 125.215 122.820 0.268 0.000 2.121 377 A HA -0.140 4.180 4.320 0.001 0.000 0.218 377 A C 1.622 179.306 177.584 0.167 0.000 1.154 377 A CA 1.160 53.353 52.037 0.259 0.000 0.679 377 A CB -1.092 18.014 19.000 0.176 0.000 0.795 377 A HN 0.729 nan 8.150 nan 0.000 0.458 378 N N 0.552 119.328 118.700 0.127 0.000 2.412 378 N HA 0.166 4.907 4.740 0.001 0.000 0.184 378 N C 0.624 176.181 175.510 0.078 0.000 1.101 378 N CA 0.697 53.798 53.050 0.085 0.000 0.881 378 N CB -0.426 38.099 38.487 0.063 0.000 0.969 378 N HN 0.302 nan 8.380 nan 0.000 0.459 379 A N 1.525 124.404 122.820 0.098 0.000 2.498 379 A HA 0.079 4.400 4.320 0.001 0.000 0.239 379 A C 1.258 178.863 177.584 0.034 0.000 1.068 379 A CA -0.256 51.820 52.037 0.065 0.000 0.766 379 A CB 0.342 19.384 19.000 0.070 0.000 1.003 379 A HN 0.271 nan 8.150 nan 0.000 0.497 380 K N 1.332 121.717 120.400 -0.025 0.000 2.074 380 K HA -0.152 4.169 4.320 0.001 0.000 0.209 380 K C 1.721 178.189 176.600 -0.221 0.000 1.048 380 K CA 1.688 57.916 56.287 -0.098 0.000 0.926 380 K CB -0.280 32.156 32.500 -0.107 0.000 0.713 380 K HN 0.525 nan 8.250 nan 0.000 0.444 381 V N 1.240 120.973 119.914 -0.300 0.000 2.688 381 V HA -0.229 3.892 4.120 0.001 0.000 0.256 381 V C 1.954 178.082 176.094 0.056 0.000 1.084 381 V CA 2.301 64.465 62.300 -0.225 0.000 1.103 381 V CB -0.302 31.474 31.823 -0.079 0.000 0.688 381 V HN 0.498 nan 8.190 nan 0.000 0.480 382 S N -0.817 114.962 115.700 0.132 0.000 2.527 382 S HA 0.094 4.565 4.470 0.001 0.000 0.222 382 S C 1.679 176.337 174.600 0.098 0.000 0.985 382 S CA 0.909 59.188 58.200 0.130 0.000 0.921 382 S CB 0.188 63.490 63.200 0.170 0.000 0.772 382 S HN 0.687 nan 8.310 nan 0.000 0.529 383 K N 0.331 120.792 120.400 0.102 0.000 2.464 383 K HA 0.426 4.747 4.320 0.001 0.000 0.206 383 K C 0.414 177.156 176.600 0.235 0.000 1.186 383 K CA 0.113 56.480 56.287 0.134 0.000 0.990 383 K CB 0.080 32.627 32.500 0.079 0.000 1.003 383 K HN 0.608 nan 8.250 nan 0.000 0.562 384 E N 0.254 120.572 120.200 0.196 0.000 2.256 384 E HA 0.246 4.597 4.350 0.001 0.000 0.267 384 E C -1.459 175.308 176.600 0.279 0.000 0.892 384 E CA -0.786 55.780 56.400 0.277 0.000 0.775 384 E CB 2.249 32.105 29.700 0.260 0.000 1.207 384 E HN 0.401 nan 8.360 nan 0.000 0.420 385 E N 1.208 121.546 120.200 0.230 0.000 2.265 385 E HA 0.021 4.371 4.350 0.001 0.000 0.272 385 E C 0.119 176.900 176.600 0.302 0.000 1.067 385 E CA 0.175 56.681 56.400 0.178 0.000 0.900 385 E CB 0.655 30.368 29.700 0.022 0.000 1.017 385 E HN 0.418 nan 8.360 nan 0.000 0.431 386 T N 4.357 119.109 114.554 0.331 0.000 2.851 386 T HA -0.097 4.253 4.350 0.001 0.000 0.262 386 T C 0.238 175.067 174.700 0.215 0.000 1.043 386 T CA 0.232 62.496 62.100 0.273 0.000 1.140 386 T CB -0.197 68.848 68.868 0.294 0.000 0.872 386 T HN 0.673 nan 8.240 nan 0.000 0.446 387 F N 1.073 121.035 119.950 0.020 0.000 3.027 387 F HA -0.067 4.460 4.527 0.001 0.000 0.276 387 F C 0.688 176.491 175.800 0.006 0.000 0.967 387 F CA 0.694 58.711 58.000 0.028 0.000 0.929 387 F CB -1.257 37.785 39.000 0.071 0.000 0.873 387 F HN 0.317 nan 8.300 nan 0.000 0.787 388 G N -0.607 108.192 108.800 -0.001 0.000 2.576 388 G HA2 0.592 4.553 3.960 0.001 0.000 0.290 388 G HA3 0.592 4.553 3.960 0.001 0.000 0.290 388 G C -3.203 171.683 174.900 -0.024 0.000 1.442 388 G CA -0.884 44.193 45.100 -0.038 0.000 0.792 388 G HN -0.211 nan 8.290 nan 0.000 0.491 389 P HA 0.305 nan 4.420 nan 0.000 0.220 389 P C -0.677 176.813 177.300 0.316 0.000 1.806 389 P CA -0.231 63.021 63.100 0.253 0.000 0.976 389 P CB 0.202 32.185 31.700 0.472 0.000 1.952 390 L N 0.900 122.176 121.223 0.089 0.000 2.325 390 L HA 0.735 5.076 4.340 0.001 0.000 0.281 390 L C -0.666 176.214 176.870 0.016 0.000 1.004 390 L CA -0.944 53.968 54.840 0.121 0.000 0.823 390 L CB 1.664 43.787 42.059 0.107 0.000 1.236 390 L HN 0.074 nan 8.230 nan 0.000 0.415 391 A N 7.443 130.305 122.820 0.069 0.000 2.394 391 A HA 0.784 5.105 4.320 0.001 0.000 0.333 391 A C -2.679 174.929 177.584 0.039 0.000 1.397 391 A CA -1.303 50.740 52.037 0.010 0.000 0.884 391 A CB -0.064 18.965 19.000 0.049 0.000 1.147 391 A HN 0.506 nan 8.150 nan 0.000 0.505 392 P HA 0.462 nan 4.420 nan 0.000 0.290 392 P C -1.024 176.246 177.300 -0.049 0.000 1.276 392 P CA -0.437 62.640 63.100 -0.039 0.000 0.808 392 P CB 1.551 33.233 31.700 -0.031 0.000 0.966 393 L N 4.432 125.569 121.223 -0.143 0.000 2.280 393 L HA 0.449 4.790 4.340 0.001 0.000 0.287 393 L C -0.222 176.576 176.870 -0.120 0.000 1.023 393 L CA -0.182 54.653 54.840 -0.008 0.000 0.819 393 L CB -0.042 42.056 42.059 0.064 0.000 1.212 393 L HN 0.265 nan 8.230 nan 0.000 0.420 394 F N 2.598 122.557 119.950 0.016 0.000 2.422 394 F HA 0.583 5.111 4.527 0.001 0.000 0.333 394 F C 0.700 176.650 175.800 0.249 0.000 1.095 394 F CA -0.742 57.283 58.000 0.041 0.000 1.038 394 F CB 1.335 40.196 39.000 -0.231 0.000 1.156 394 F HN 0.301 nan 8.300 nan 0.000 0.483 395 R N 3.009 123.692 120.500 0.305 0.000 2.428 395 R HA 0.598 4.939 4.340 0.001 0.000 0.294 395 R C -1.406 175.086 176.300 0.321 0.000 1.000 395 R CA -0.561 55.630 56.100 0.151 0.000 0.960 395 R CB 1.020 31.160 30.300 -0.267 0.000 1.076 395 R HN 0.677 nan 8.270 nan 0.000 0.475 396 F N 1.522 121.542 119.950 0.117 0.000 2.599 396 F HA 0.460 4.987 4.527 0.001 0.000 0.311 396 F C 0.057 175.884 175.800 0.047 0.000 1.076 396 F CA -1.110 56.941 58.000 0.086 0.000 0.937 396 F CB 1.619 40.669 39.000 0.082 0.000 1.282 396 F HN 0.352 nan 8.300 nan 0.000 0.460 397 K N 1.072 121.572 120.400 0.166 0.000 2.056 397 K HA 0.198 4.519 4.320 0.001 0.000 0.205 397 K C -0.648 176.017 176.600 0.109 0.000 1.035 397 K CA 1.796 58.114 56.287 0.052 0.000 0.955 397 K CB -0.068 32.479 32.500 0.078 0.000 0.769 397 K HN 0.951 nan 8.250 nan 0.000 0.447 398 D N -2.352 118.227 120.400 0.299 0.000 2.732 398 D HA 0.152 4.793 4.640 0.001 0.000 0.292 398 D C 0.373 176.929 176.300 0.427 0.000 1.135 398 D CA -0.784 53.410 54.000 0.323 0.000 1.071 398 D CB 0.694 41.599 40.800 0.174 0.000 1.457 398 D HN 0.047 nan 8.370 nan 0.000 0.547 399 E N -0.400 120.010 120.200 0.349 0.000 2.038 399 E HA -0.241 4.109 4.350 0.001 0.000 0.195 399 E C 2.028 178.683 176.600 0.091 0.000 1.000 399 E CA 1.477 58.052 56.400 0.292 0.000 0.803 399 E CB -0.276 29.520 29.700 0.160 0.000 0.750 399 E HN 0.502 nan 8.360 nan 0.000 0.448 400 A N 0.918 123.775 122.820 0.060 0.000 1.908 400 A HA -0.226 4.095 4.320 0.001 0.000 0.218 400 A C 2.036 179.605 177.584 -0.025 0.000 1.181 400 A CA 2.027 54.066 52.037 0.004 0.000 0.627 400 A CB -0.898 18.110 19.000 0.013 0.000 0.818 400 A HN 0.313 nan 8.150 nan 0.000 0.445 401 D N -1.530 118.877 120.400 0.012 0.000 2.084 401 D HA -0.137 4.503 4.640 0.001 0.000 0.194 401 D C 2.042 178.249 176.300 -0.155 0.000 0.990 401 D CA 1.384 55.376 54.000 -0.013 0.000 0.826 401 D CB -0.661 40.189 40.800 0.084 0.000 0.971 401 D HN 0.235 nan 8.370 nan 0.000 0.453 402 V N 0.243 119.975 119.914 -0.304 0.000 2.427 402 V HA -0.122 3.999 4.120 0.001 0.000 0.248 402 V C 2.209 177.968 176.094 -0.558 0.000 1.051 402 V CA 1.389 63.247 62.300 -0.736 0.000 1.048 402 V CB -0.391 30.436 31.823 -1.661 0.000 0.666 402 V HN 0.376 nan 8.190 nan 0.000 0.456 403 I N 0.279 120.655 120.570 -0.324 0.000 2.179 403 I HA -0.230 3.941 4.170 0.001 0.000 0.242 403 I C 2.679 178.684 176.117 -0.186 0.000 1.088 403 I CA 1.627 62.792 61.300 -0.224 0.000 1.357 403 I CB -0.625 37.292 38.000 -0.139 0.000 1.051 403 I HN 0.364 nan 8.210 nan 0.000 0.409 404 A N -0.110 122.615 122.820 -0.158 0.000 1.902 404 A HA -0.262 4.058 4.320 0.001 0.000 0.217 404 A C 2.263 179.761 177.584 -0.143 0.000 1.181 404 A CA 1.609 53.575 52.037 -0.119 0.000 0.623 404 A CB -0.588 18.362 19.000 -0.082 0.000 0.818 404 A HN 0.476 nan 8.150 nan 0.000 0.443 405 Q N -0.904 118.760 119.800 -0.225 0.000 2.079 405 Q HA -0.070 4.271 4.340 0.001 0.000 0.200 405 Q C 2.491 178.322 176.000 -0.283 0.000 0.974 405 Q CA 1.207 56.855 55.803 -0.259 0.000 0.840 405 Q CB -0.350 28.166 28.738 -0.369 0.000 0.898 405 Q HN 0.683 nan 8.270 nan 0.000 0.430 406 A N 1.584 124.167 122.820 -0.395 0.000 1.883 406 A HA -0.202 4.118 4.320 0.001 0.000 0.217 406 A C 1.670 179.285 177.584 0.052 0.000 1.186 406 A CA 1.675 53.585 52.037 -0.212 0.000 0.624 406 A CB -0.436 18.419 19.000 -0.241 0.000 0.822 406 A HN 0.296 nan 8.150 nan 0.000 0.444 407 N N 0.127 118.824 118.700 -0.006 0.000 2.467 407 N HA -0.029 4.711 4.740 0.001 0.000 0.184 407 N C -0.077 175.404 175.510 -0.048 0.000 1.106 407 N CA 0.595 53.637 53.050 -0.014 0.000 0.892 407 N CB -0.200 38.255 38.487 -0.053 0.000 0.969 407 N HN 0.438 nan 8.380 nan 0.000 0.454 408 D N 0.736 121.112 120.400 -0.040 0.000 2.688 408 D HA 0.073 4.714 4.640 0.001 0.000 0.228 408 D C -0.604 175.680 176.300 -0.026 0.000 1.116 408 D CA 0.181 54.156 54.000 -0.041 0.000 1.023 408 D CB -0.244 40.532 40.800 -0.039 0.000 1.100 408 D HN -0.047 nan 8.370 nan 0.000 0.487 409 T N -0.367 114.158 114.554 -0.048 0.000 2.830 409 T HA 0.116 4.466 4.350 0.001 0.000 0.322 409 T C 0.605 175.211 174.700 -0.156 0.000 1.501 409 T CA -0.622 61.440 62.100 -0.063 0.000 1.036 409 T CB 1.169 70.077 68.868 0.067 0.000 1.379 409 T HN 0.139 nan 8.240 nan 0.000 0.493 410 E N 1.932 121.950 120.200 -0.304 0.000 2.371 410 E HA 0.074 4.425 4.350 0.001 0.000 0.194 410 E C 0.019 176.424 176.600 -0.324 0.000 1.012 410 E CA 0.348 56.541 56.400 -0.345 0.000 0.860 410 E CB -0.187 29.275 29.700 -0.396 0.000 0.811 410 E HN 0.633 nan 8.360 nan 0.000 0.502 411 F N 0.876 120.807 119.950 -0.031 0.000 2.403 411 F HA 0.471 4.999 4.527 0.001 0.000 0.320 411 F C 1.383 177.077 175.800 -0.176 0.000 1.176 411 F CA 0.267 58.248 58.000 -0.031 0.000 1.206 411 F CB 1.105 40.144 39.000 0.065 0.000 1.235 411 F HN -0.004 nan 8.300 nan 0.000 0.565 412 G N 1.327 110.154 108.800 0.046 0.000 5.114 412 G HA2 0.284 4.245 3.960 0.001 0.000 0.209 412 G HA3 0.284 4.245 3.960 0.001 0.000 0.209 412 G C -0.490 174.429 174.900 0.032 0.000 1.021 412 G CA -0.212 44.709 45.100 -0.298 0.000 0.608 412 G HN 0.521 nan 8.290 nan 0.000 0.360 413 L N 1.002 122.387 121.223 0.270 0.000 2.292 413 L HA 0.876 5.217 4.340 0.001 0.000 0.196 413 L C 1.245 178.268 176.870 0.256 0.000 1.246 413 L CA 1.344 56.319 54.840 0.225 0.000 0.864 413 L CB -0.242 41.908 42.059 0.153 0.000 1.044 413 L HN 0.292 nan 8.230 nan 0.000 0.504 414 A N -0.764 122.157 122.820 0.169 0.000 2.337 414 A HA 0.841 5.162 4.320 0.001 0.000 0.329 414 A C -0.901 176.437 177.584 -0.410 0.000 1.146 414 A CA 0.029 52.001 52.037 -0.109 0.000 0.800 414 A CB 0.902 19.816 19.000 -0.143 0.000 1.220 414 A HN 0.619 nan 8.150 nan 0.000 0.472 415 A N 0.787 123.193 122.820 -0.691 0.000 2.469 415 A HA 0.861 5.182 4.320 0.001 0.000 0.299 415 A C -1.534 175.620 177.584 -0.716 0.000 1.098 415 A CA -0.472 51.125 52.037 -0.733 0.000 0.737 415 A CB 1.010 19.447 19.000 -0.939 0.000 1.312 415 A HN 0.884 nan 8.150 nan 0.000 0.414 416 Y N -0.406 119.818 120.300 -0.127 0.000 2.524 416 Y HA 0.676 5.227 4.550 0.001 0.000 0.347 416 Y C -0.515 175.295 175.900 -0.150 0.000 1.005 416 Y CA -0.752 57.236 58.100 -0.187 0.000 1.025 416 Y CB 2.173 40.459 38.460 -0.290 0.000 1.275 416 Y HN 0.819 nan 8.280 nan 0.000 0.460 417 F N -0.584 119.270 119.950 -0.161 0.000 2.631 417 F HA 0.744 5.271 4.527 0.001 0.000 0.308 417 F C -2.359 173.410 175.800 -0.053 0.000 1.097 417 F CA -1.914 56.047 58.000 -0.065 0.000 0.952 417 F CB 1.327 40.394 39.000 0.110 0.000 1.307 417 F HN 0.383 nan 8.300 nan 0.000 0.450 418 Y N 1.764 122.126 120.300 0.104 0.000 2.328 418 Y HA 0.808 5.359 4.550 0.001 0.000 0.336 418 Y C -0.045 176.060 175.900 0.341 0.000 0.960 418 Y CA -0.654 57.492 58.100 0.077 0.000 1.134 418 Y CB 1.917 40.421 38.460 0.073 0.000 1.166 418 Y HN 1.092 nan 8.280 nan 0.000 0.464 419 A N 3.084 126.062 122.820 0.263 0.000 2.608 419 A HA 0.651 4.971 4.320 0.001 0.000 0.292 419 A C -0.425 177.219 177.584 0.099 0.000 1.066 419 A CA -0.947 51.239 52.037 0.249 0.000 0.676 419 A CB 1.570 20.701 19.000 0.217 0.000 1.277 419 A HN 0.871 nan 8.150 nan 0.000 0.413 420 R N -0.191 120.363 120.500 0.090 0.000 2.279 420 R HA 0.116 4.456 4.340 0.001 0.000 0.195 420 R C -0.459 175.867 176.300 0.043 0.000 0.905 420 R CA 0.222 56.355 56.100 0.055 0.000 1.044 420 R CB 0.327 30.667 30.300 0.066 0.000 1.056 420 R HN 0.799 nan 8.270 nan 0.000 0.535 421 D N 0.998 121.422 120.400 0.039 0.000 2.371 421 D HA -0.028 4.612 4.640 0.001 0.000 0.256 421 D C 1.080 177.413 176.300 0.055 0.000 1.193 421 D CA -0.173 53.846 54.000 0.032 0.000 0.881 421 D CB 1.028 41.832 40.800 0.006 0.000 1.143 421 D HN -0.137 nan 8.370 nan 0.000 0.473 422 L N 3.700 124.970 121.223 0.079 0.000 1.971 422 L HA -0.224 4.117 4.340 0.001 0.000 0.215 422 L C 2.073 179.082 176.870 0.232 0.000 1.072 422 L CA 1.849 56.784 54.840 0.159 0.000 0.758 422 L CB -0.798 41.347 42.059 0.143 0.000 0.889 422 L HN 0.484 nan 8.230 nan 0.000 0.433 423 S N -0.818 114.949 115.700 0.113 0.000 2.370 423 S HA -0.252 4.218 4.470 0.001 0.000 0.226 423 S C 2.056 176.702 174.600 0.077 0.000 1.033 423 S CA 1.572 59.816 58.200 0.074 0.000 1.011 423 S CB -0.437 62.761 63.200 -0.005 0.000 0.852 423 S HN 0.468 nan 8.310 nan 0.000 0.457 424 R N 0.858 121.362 120.500 0.007 0.000 2.083 424 R HA -0.113 4.227 4.340 0.001 0.000 0.237 424 R C 2.076 178.349 176.300 -0.045 0.000 1.137 424 R CA 1.691 57.733 56.100 -0.097 0.000 0.951 424 R CB -0.587 29.588 30.300 -0.208 0.000 0.851 424 R HN 0.256 nan 8.270 nan 0.000 0.434 425 V N 0.709 120.683 119.914 0.100 0.000 2.282 425 V HA -0.272 3.848 4.120 0.001 0.000 0.249 425 V C 2.106 178.283 176.094 0.138 0.000 1.057 425 V CA 2.072 64.507 62.300 0.225 0.000 1.032 425 V CB -0.600 31.288 31.823 0.109 0.000 0.645 425 V HN 0.278 nan 8.190 nan 0.000 0.447 426 F N 0.033 119.999 119.950 0.027 0.000 2.075 426 F HA -0.132 4.396 4.527 0.001 0.000 0.297 426 F C 2.657 178.433 175.800 -0.039 0.000 1.113 426 F CA 1.768 59.769 58.000 0.002 0.000 1.218 426 F CB -0.428 38.564 39.000 -0.014 0.000 0.984 426 F HN -0.057 nan 8.300 nan 0.000 0.472 427 R N -0.097 120.480 120.500 0.128 0.000 2.094 427 R HA -0.174 4.167 4.340 0.001 0.000 0.239 427 R C 2.100 178.343 176.300 -0.095 0.000 1.137 427 R CA 1.916 58.016 56.100 0.001 0.000 0.943 427 R CB -0.996 29.276 30.300 -0.047 0.000 0.850 427 R HN 0.183 nan 8.270 nan 0.000 0.433 428 V N -0.110 119.664 119.914 -0.233 0.000 2.379 428 V HA -0.113 4.008 4.120 0.001 0.000 0.245 428 V C 2.415 178.296 176.094 -0.355 0.000 1.044 428 V CA 1.985 64.014 62.300 -0.451 0.000 1.036 428 V CB -0.912 30.322 31.823 -0.982 0.000 0.664 428 V HN 0.558 nan 8.190 nan 0.000 0.453 429 G N -0.300 108.400 108.800 -0.167 0.000 2.446 429 G HA2 -0.268 3.693 3.960 0.001 0.000 0.217 429 G HA3 -0.268 3.693 3.960 0.001 0.000 0.217 429 G C 1.479 176.372 174.900 -0.011 0.000 1.168 429 G CA 1.042 46.171 45.100 0.048 0.000 0.771 429 G HN 0.571 nan 8.290 nan 0.000 0.551 430 E N 0.243 120.434 120.200 -0.015 0.000 2.152 430 E HA 0.098 4.449 4.350 0.001 0.000 0.192 430 E C 2.765 179.353 176.600 -0.020 0.000 0.983 430 E CA 0.664 57.063 56.400 -0.002 0.000 0.818 430 E CB -0.079 29.643 29.700 0.036 0.000 0.758 430 E HN 0.432 nan 8.360 nan 0.000 0.467 431 A N 0.720 123.512 122.820 -0.045 0.000 2.072 431 A HA 0.066 4.387 4.320 0.001 0.000 0.216 431 A C 1.024 178.587 177.584 -0.036 0.000 1.156 431 A CA -0.002 52.005 52.037 -0.050 0.000 0.701 431 A CB -0.112 18.846 19.000 -0.070 0.000 0.816 431 A HN 0.079 nan 8.150 nan 0.000 0.458 432 L N 1.454 122.666 121.223 -0.018 0.000 2.477 432 L HA 0.049 4.389 4.340 0.001 0.000 0.272 432 L C 0.065 177.006 176.870 0.120 0.000 1.157 432 L CA -0.055 54.838 54.840 0.088 0.000 0.889 432 L CB 0.547 42.667 42.059 0.101 0.000 1.158 432 L HN 0.342 nan 8.230 nan 0.000 0.473 433 E N 4.520 124.751 120.200 0.052 0.000 2.110 433 E HA 0.171 4.522 4.350 0.001 0.000 0.300 433 E C -1.392 174.915 176.600 -0.489 0.000 1.278 433 E CA -0.004 56.288 56.400 -0.179 0.000 1.365 433 E CB 0.088 29.644 29.700 -0.239 0.000 1.283 433 E HN 0.344 nan 8.360 nan 0.000 0.490 434 Y N -1.605 118.666 120.300 -0.048 0.000 2.553 434 Y HA 0.337 4.888 4.550 0.001 0.000 0.347 434 Y C 1.298 177.158 175.900 -0.068 0.000 1.019 434 Y CA -1.025 57.046 58.100 -0.048 0.000 1.032 434 Y CB 1.740 40.161 38.460 -0.064 0.000 1.284 434 Y HN 0.209 nan 8.280 nan 0.000 0.466 435 G N 1.083 109.927 108.800 0.073 0.000 2.464 435 G HA2 0.099 4.060 3.960 0.001 0.000 0.217 435 G HA3 0.099 4.060 3.960 0.001 0.000 0.217 435 G C 0.110 174.972 174.900 -0.063 0.000 1.138 435 G CA 0.506 45.601 45.100 -0.008 0.000 0.793 435 G HN 0.413 nan 8.290 nan 0.000 0.539 436 I N 0.456 120.992 120.570 -0.057 0.000 2.499 436 I HA 0.404 4.575 4.170 0.001 0.000 0.288 436 I C -1.260 174.732 176.117 -0.208 0.000 1.048 436 I CA -0.878 60.312 61.300 -0.184 0.000 1.062 436 I CB 2.957 40.828 38.000 -0.215 0.000 1.238 436 I HN -0.306 nan 8.210 nan 0.000 0.426 437 V N 4.583 124.361 119.914 -0.226 0.000 2.409 437 V HA 0.556 4.677 4.120 0.001 0.000 0.290 437 V C 0.423 176.357 176.094 -0.267 0.000 1.017 437 V CA -0.589 61.572 62.300 -0.232 0.000 0.841 437 V CB 1.667 33.446 31.823 -0.075 0.000 1.003 437 V HN 0.889 nan 8.190 nan 0.000 0.426 438 G N 5.092 113.679 108.800 -0.354 0.000 2.339 438 G HA2 0.671 4.631 3.960 0.001 0.000 0.287 438 G HA3 0.671 4.631 3.960 0.001 0.000 0.287 438 G C -0.632 174.062 174.900 -0.342 0.000 1.163 438 G CA -0.328 44.653 45.100 -0.198 0.000 0.872 438 G HN 0.643 nan 8.290 nan 0.000 0.464 439 I N 2.427 122.722 120.570 -0.457 0.000 2.411 439 I HA 0.192 4.362 4.170 0.001 0.000 0.284 439 I C -0.134 175.555 176.117 -0.713 0.000 1.012 439 I CA -0.831 59.994 61.300 -0.792 0.000 1.119 439 I CB 1.593 39.150 38.000 -0.738 0.000 1.261 439 I HN 0.470 nan 8.210 nan 0.000 0.448 440 N N 2.116 120.167 118.700 -1.083 0.000 2.741 440 N HA -0.181 4.560 4.740 0.001 0.000 0.250 440 N C -0.163 174.898 175.510 -0.749 0.000 1.115 440 N CA 1.333 53.625 53.050 -1.262 0.000 0.724 440 N CB -0.901 37.255 38.487 -0.551 0.000 1.090 440 N HN 0.752 nan 8.380 nan 0.000 0.558 441 T N -2.629 111.610 114.554 -0.524 0.000 2.982 441 T HA 0.575 4.926 4.350 0.001 0.000 0.321 441 T C 0.915 175.720 174.700 0.176 0.000 1.229 441 T CA 0.082 62.169 62.100 -0.023 0.000 1.044 441 T CB 1.394 70.249 68.868 -0.022 0.000 1.184 441 T HN 0.074 nan 8.240 nan 0.000 0.477 442 G N 1.464 110.427 108.800 0.271 0.000 2.986 442 G HA2 0.346 4.307 3.960 0.001 0.000 0.213 442 G HA3 0.346 4.307 3.960 0.001 0.000 0.213 442 G C 0.501 175.483 174.900 0.137 0.000 1.156 442 G CA 0.555 45.764 45.100 0.183 0.000 0.763 442 G HN 1.115 nan 8.290 nan 0.000 0.547 443 I N -0.917 119.747 120.570 0.156 0.000 2.420 443 I HA 0.640 4.810 4.170 0.001 0.000 0.282 443 I C 0.532 176.726 176.117 0.129 0.000 1.019 443 I CA -1.504 59.870 61.300 0.123 0.000 1.130 443 I CB 0.158 38.195 38.000 0.061 0.000 1.262 443 I HN 0.223 nan 8.210 nan 0.000 0.454 444 I N 0.741 121.422 120.570 0.185 0.000 4.181 444 I HA 0.382 4.552 4.170 0.001 0.000 0.331 444 I C 1.044 177.367 176.117 0.344 0.000 1.312 444 I CA 0.040 61.462 61.300 0.204 0.000 1.146 444 I CB 0.182 38.301 38.000 0.198 0.000 1.074 444 I HN 0.479 nan 8.210 nan 0.000 0.402 445 S N 3.448 119.259 115.700 0.185 0.000 2.525 445 S HA 0.288 4.759 4.470 0.001 0.000 0.285 445 S C -0.179 174.441 174.600 0.034 0.000 1.283 445 S CA -0.012 58.167 58.200 -0.035 0.000 1.072 445 S CB -0.303 62.609 63.200 -0.481 0.000 0.867 445 S HN 0.809 nan 8.310 nan 0.000 0.492 446 N N 0.539 119.292 118.700 0.088 0.000 3.227 446 N HA 0.161 4.901 4.740 0.001 0.000 0.241 446 N C -0.130 175.266 175.510 -0.190 0.000 1.480 446 N CA -0.864 52.208 53.050 0.037 0.000 0.886 446 N CB 0.507 38.996 38.487 0.003 0.000 1.406 446 N HN 0.350 nan 8.380 nan 0.000 0.514 447 E N -0.131 119.707 120.200 -0.605 0.000 2.447 447 E HA -0.001 4.350 4.350 0.001 0.000 0.195 447 E C 0.967 176.919 176.600 -1.079 0.000 1.028 447 E CA 1.046 56.754 56.400 -1.152 0.000 0.876 447 E CB -0.118 28.639 29.700 -1.572 0.000 0.885 447 E HN 0.551 nan 8.360 nan 0.000 0.500 448 V N -1.822 117.568 119.914 -0.873 0.000 3.354 448 V HA 0.473 4.594 4.120 0.001 0.000 0.258 448 V C 1.108 176.924 176.094 -0.463 0.000 1.159 448 V CA 0.237 61.877 62.300 -1.099 0.000 1.125 448 V CB -0.139 31.216 31.823 -0.779 0.000 0.774 448 V HN 0.291 nan 8.190 nan 0.000 0.464 449 A N 1.939 124.685 122.820 -0.124 0.000 2.325 449 A HA 0.835 5.156 4.320 0.001 0.000 0.333 449 A C -2.841 174.844 177.584 0.170 0.000 1.155 449 A CA -2.169 49.879 52.037 0.018 0.000 0.814 449 A CB 0.809 19.780 19.000 -0.048 0.000 1.206 449 A HN 0.282 nan 8.150 nan 0.000 0.482 450 P HA 0.285 nan 4.420 nan 0.000 0.276 450 P C -1.225 176.080 177.300 0.009 0.000 1.253 450 P CA 0.506 63.711 63.100 0.173 0.000 0.766 450 P CB 0.066 31.835 31.700 0.115 0.000 0.845 451 F N 2.962 122.966 119.950 0.091 0.000 2.426 451 F HA 0.707 5.234 4.527 0.001 0.000 0.348 451 F C 1.086 176.916 175.800 0.051 0.000 1.124 451 F CA 0.235 58.273 58.000 0.063 0.000 1.008 451 F CB 2.327 41.379 39.000 0.085 0.000 1.139 451 F HN 0.498 nan 8.300 nan 0.000 0.452 452 G N 1.233 110.121 108.800 0.148 0.000 2.328 452 G HA2 0.485 4.446 3.960 0.001 0.000 0.295 452 G HA3 0.485 4.446 3.960 0.001 0.000 0.295 452 G C -1.578 173.358 174.900 0.061 0.000 1.413 452 G CA -0.382 44.780 45.100 0.103 0.000 0.817 452 G HN 0.845 nan 8.290 nan 0.000 0.546 453 G N -1.096 107.738 108.800 0.057 0.000 2.489 453 G HA2 0.814 4.774 3.960 0.001 0.000 0.327 453 G HA3 0.814 4.774 3.960 0.001 0.000 0.327 453 G C -0.083 174.828 174.900 0.019 0.000 1.189 453 G CA -0.279 44.851 45.100 0.050 0.000 0.962 453 G HN 1.374 nan 8.290 nan 0.000 0.486 454 I N -2.240 118.325 120.570 -0.007 0.000 3.076 454 I HA 0.809 4.980 4.170 0.001 0.000 0.313 454 I C 0.541 176.636 176.117 -0.037 0.000 1.053 454 I CA -1.013 60.265 61.300 -0.036 0.000 1.048 454 I CB 1.669 39.626 38.000 -0.072 0.000 1.264 454 I HN 0.723 nan 8.210 nan 0.000 0.498 455 K N 0.977 121.348 120.400 -0.049 0.000 1.844 455 K HA -0.295 4.026 4.320 0.001 0.000 0.160 455 K C 0.980 177.574 176.600 -0.010 0.000 1.448 455 K CA 1.395 57.652 56.287 -0.050 0.000 0.446 455 K CB -1.771 30.674 32.500 -0.092 0.000 0.635 455 K HN 0.861 nan 8.250 nan 0.000 0.848 456 A N 0.529 123.347 122.820 -0.003 0.000 2.238 456 A HA 0.094 4.414 4.320 0.001 0.000 0.208 456 A C 1.595 179.271 177.584 0.154 0.000 1.177 456 A CA 1.393 53.456 52.037 0.044 0.000 0.804 456 A CB -0.173 18.812 19.000 -0.024 0.000 0.823 456 A HN 0.393 nan 8.150 nan 0.000 0.482 457 S N -0.744 115.052 115.700 0.160 0.000 2.562 457 S HA 0.421 4.892 4.470 0.001 0.000 0.221 457 S C 0.881 175.548 174.600 0.113 0.000 0.975 457 S CA 0.705 59.012 58.200 0.178 0.000 0.918 457 S CB 0.065 63.362 63.200 0.163 0.000 0.772 457 S HN 1.194 nan 8.310 nan 0.000 0.531 458 G N 0.162 109.014 108.800 0.086 0.000 2.359 458 G HA2 0.334 4.295 3.960 0.001 0.000 0.293 458 G HA3 0.334 4.295 3.960 0.001 0.000 0.293 458 G C -2.321 172.608 174.900 0.049 0.000 1.300 458 G CA -1.061 44.083 45.100 0.074 0.000 0.888 458 G HN 0.162 nan 8.290 nan 0.000 0.541 459 L N 0.222 121.474 121.223 0.048 0.000 2.455 459 L HA 0.731 5.072 4.340 0.001 0.000 0.264 459 L C 0.675 177.565 176.870 0.033 0.000 0.968 459 L CA 0.145 55.004 54.840 0.031 0.000 0.827 459 L CB 1.987 44.060 42.059 0.023 0.000 1.317 459 L HN 2.383 nan 8.230 nan 0.000 0.407 460 G N 1.996 110.813 108.800 0.028 0.000 2.756 460 G HA2 -0.079 3.882 3.960 0.001 0.000 0.678 460 G HA3 -0.079 3.882 3.960 0.001 0.000 0.678 460 G C -1.392 173.551 174.900 0.071 0.000 1.349 460 G CA -0.920 44.206 45.100 0.043 0.000 0.847 460 G HN 0.482 nan 8.290 nan 0.000 0.548 461 R N 0.235 120.805 120.500 0.117 0.000 2.795 461 R HA 0.618 4.959 4.340 0.001 0.000 0.275 461 R C -0.257 176.185 176.300 0.237 0.000 0.981 461 R CA -0.732 55.468 56.100 0.166 0.000 0.917 461 R CB 1.818 32.214 30.300 0.161 0.000 1.202 461 R HN 0.761 nan 8.270 nan 0.000 0.469 462 E N -0.025 120.338 120.200 0.272 0.000 2.244 462 E HA 0.596 4.947 4.350 0.001 0.000 0.266 462 E C -0.181 176.695 176.600 0.460 0.000 0.914 462 E CA -0.719 55.864 56.400 0.304 0.000 0.794 462 E CB 2.085 31.863 29.700 0.130 0.000 1.210 462 E HN 0.750 nan 8.360 nan 0.000 0.414 463 G N 1.630 110.814 108.800 0.641 0.000 2.860 463 G HA2 -0.066 3.894 3.960 0.001 0.000 0.553 463 G HA3 -0.066 3.894 3.960 0.001 0.000 0.553 463 G C -0.052 175.073 174.900 0.376 0.000 1.439 463 G CA -0.100 45.324 45.100 0.541 0.000 0.879 463 G HN 1.584 nan 8.290 nan 0.000 0.545 464 S N -1.848 113.789 115.700 -0.106 0.000 3.849 464 S HA -0.155 4.316 4.470 0.001 0.000 0.654 464 S C 1.436 176.369 174.600 0.555 0.000 1.808 464 S CA 1.542 59.809 58.200 0.111 0.000 1.951 464 S CB -0.959 62.377 63.200 0.227 0.000 0.330 464 S HN 2.630 nan 8.310 nan 0.000 1.627 465 K N 0.034 120.673 120.400 0.399 0.000 2.209 465 K HA -0.102 4.218 4.320 0.001 0.000 0.204 465 K C 1.659 178.311 176.600 0.087 0.000 1.048 465 K CA 2.010 58.401 56.287 0.173 0.000 0.940 465 K CB -0.557 31.907 32.500 -0.060 0.000 0.729 465 K HN 0.678 nan 8.250 nan 0.000 0.451 466 Y N 1.783 122.258 120.300 0.293 0.000 2.373 466 Y HA 0.055 4.606 4.550 0.001 0.000 0.293 466 Y C 2.818 178.892 175.900 0.291 0.000 1.129 466 Y CA 1.009 59.252 58.100 0.238 0.000 1.226 466 Y CB -0.706 37.858 38.460 0.174 0.000 1.000 466 Y HN 0.238 nan 8.280 nan 0.000 0.549 467 G N 0.044 109.177 108.800 0.555 0.000 2.450 467 G HA2 -0.262 3.699 3.960 0.001 0.000 0.220 467 G HA3 -0.262 3.699 3.960 0.001 0.000 0.220 467 G C 1.685 176.817 174.900 0.387 0.000 1.130 467 G CA 0.955 46.381 45.100 0.542 0.000 0.760 467 G HN 0.496 nan 8.290 nan 0.000 0.557 468 I N 0.413 121.231 120.570 0.414 0.000 2.761 468 I HA -0.041 4.130 4.170 0.001 0.000 0.261 468 I C 2.677 178.944 176.117 0.249 0.000 1.198 468 I CA 0.662 62.103 61.300 0.235 0.000 1.482 468 I CB 0.096 38.237 38.000 0.235 0.000 1.100 468 I HN 0.129 nan 8.210 nan 0.000 0.445 469 E N 0.144 120.486 120.200 0.237 0.000 2.110 469 E HA -0.255 4.096 4.350 0.001 0.000 0.193 469 E C 1.607 178.286 176.600 0.132 0.000 0.988 469 E CA 1.453 57.959 56.400 0.177 0.000 0.804 469 E CB -0.626 29.191 29.700 0.194 0.000 0.745 469 E HN 0.644 nan 8.360 nan 0.000 0.458 470 D N -0.804 119.668 120.400 0.120 0.000 2.309 470 D HA -0.089 4.552 4.640 0.001 0.000 0.212 470 D C 0.876 177.030 176.300 -0.243 0.000 0.968 470 D CA 0.892 54.853 54.000 -0.066 0.000 0.882 470 D CB -0.099 40.624 40.800 -0.128 0.000 0.918 470 D HN 0.495 nan 8.370 nan 0.000 0.503 471 Y N -0.314 120.001 120.300 0.025 0.000 2.467 471 Y HA 0.303 4.854 4.550 0.001 0.000 0.250 471 Y C 0.694 176.610 175.900 0.028 0.000 1.155 471 Y CA -0.155 57.955 58.100 0.016 0.000 1.249 471 Y CB 0.585 39.037 38.460 -0.013 0.000 1.146 471 Y HN -0.213 nan 8.280 nan 0.000 0.524 472 L N 0.235 121.535 121.223 0.130 0.000 2.333 472 L HA 0.479 4.820 4.340 0.001 0.000 0.269 472 L C -0.318 176.590 176.870 0.063 0.000 1.010 472 L CA -1.007 53.890 54.840 0.095 0.000 0.818 472 L CB 1.792 43.905 42.059 0.090 0.000 1.306 472 L HN -0.128 nan 8.230 nan 0.000 0.430 473 E N 2.098 122.332 120.200 0.056 0.000 2.183 473 E HA 0.458 4.808 4.350 0.001 0.000 0.271 473 E C -0.797 175.835 176.600 0.054 0.000 0.919 473 E CA -0.607 55.822 56.400 0.048 0.000 0.781 473 E CB 2.738 32.462 29.700 0.041 0.000 1.140 473 E HN 0.393 nan 8.360 nan 0.000 0.402 474 I N 2.417 123.021 120.570 0.057 0.000 2.441 474 I HA 0.083 4.254 4.170 0.001 0.000 0.287 474 I C 0.661 176.823 176.117 0.075 0.000 1.049 474 I CA 0.147 61.487 61.300 0.066 0.000 1.381 474 I CB 0.549 38.588 38.000 0.066 0.000 1.409 474 I HN 0.086 nan 8.210 nan 0.000 0.523 475 K N 7.062 127.512 120.400 0.084 0.000 2.413 475 K HA 0.257 4.577 4.320 0.001 0.000 0.257 475 K C -1.464 175.222 176.600 0.144 0.000 0.946 475 K CA -0.656 55.684 56.287 0.089 0.000 0.823 475 K CB 1.259 33.790 32.500 0.052 0.000 1.109 475 K HN 0.454 nan 8.250 nan 0.000 0.427 476 Y N 5.732 126.041 120.300 0.016 0.000 2.341 476 Y HA 0.370 4.920 4.550 0.001 0.000 0.340 476 Y C -1.064 174.846 175.900 0.017 0.000 0.997 476 Y CA -0.789 57.320 58.100 0.016 0.000 1.149 476 Y CB 0.782 39.247 38.460 0.009 0.000 1.171 476 Y HN 0.548 nan 8.280 nan 0.000 0.494 477 M N 7.122 126.625 119.600 -0.161 0.000 2.294 477 M HA 0.348 4.828 4.480 0.001 0.000 0.335 477 M C -1.253 174.841 176.300 -0.343 0.000 1.079 477 M CA -0.633 54.483 55.300 -0.306 0.000 0.982 477 M CB 1.566 34.109 32.600 -0.095 0.000 1.651 477 M HN 0.798 nan 8.290 nan 0.000 0.437 478 C N 5.795 124.841 119.300 -0.424 0.000 2.293 478 C HA 0.678 5.138 4.460 0.001 0.000 0.323 478 C C -0.679 174.275 174.990 -0.061 0.000 1.240 478 C CA -0.582 58.334 59.018 -0.170 0.000 1.497 478 C CB -0.687 26.945 27.740 -0.181 0.000 2.171 478 C HN 0.816 nan 8.230 nan 0.000 0.465 479 I N 5.470 126.039 120.570 -0.000 0.000 2.321 479 I HA 0.471 4.642 4.170 0.001 0.000 0.291 479 I C 1.076 177.198 176.117 0.008 0.000 0.998 479 I CA 0.478 61.776 61.300 -0.003 0.000 1.227 479 I CB 1.382 39.382 38.000 0.000 0.000 1.368 479 I HN 0.795 nan 8.210 nan 0.000 0.466 480 G N 6.601 115.401 108.800 0.000 0.000 2.333 480 G HA2 0.540 4.501 3.960 0.001 0.000 0.290 480 G HA3 0.540 4.501 3.960 0.001 0.000 0.290 480 G C -0.419 174.476 174.900 -0.008 0.000 1.150 480 G CA -0.252 44.846 45.100 -0.003 0.000 0.895 480 G HN 0.231 nan 8.290 nan 0.000 0.444 481 L N 0.000 121.216 121.223 -0.012 0.000 2.949 481 L HA 0.000 4.341 4.340 0.001 0.000 0.249 481 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 481 L CB 0.000 42.052 42.059 -0.012 0.000 0.961 481 L HN 0.000 nan 8.230 nan 0.000 0.502